| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 32.8 | Very low | 232 Ų | 232 | 101.6 Ų | 101.6 | 100% | 1.143 | 58% | 0.583 | S | S | * | * | 0 | 98.4 | 0 | -160.6 | 166.4 | 78.7 | 0 | 0 | 106.2 | |||||
| 2 | N | 25.1 | Very low | 32.6 | Very low | 130 Ų | 130 | 102.2 Ų | 102.2 | 70% | 0.695 | 58% | 0.577 | S | S | * | * | trans | -89.1 | 125.3 | -179.1 | -86.5 | -2.3 | 0 | 0 | 0 | 108.7 | S4 E5 | N2-S4 PolarHBondContact O-N 3.31Å; N2-E5 PolarHBondContact O-N 3.16Å | ||
| 3 | L | 28.4 | Very low | 32.8 | Very low | 149 Ų | 149 | 99.8 Ų | 99.8 | 78% | 0.78 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -5.2 | -179.1 | -83 | 108.4 | 0 | 0 | 0 | 114.9 | S6 | L3-S6 VanDerWaalsContact C-OG 3.26Å; L3-S6 WeakPolarHBondContact CA-OG 3.48Å; L3-S6 PolarHBondContact O-OG 3.03Å |
| 4 | S | 31.1 | Very low | 32.8 | Very low | 75 Ų | 75 | 103.9 Ų | 103.9 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -27.1 | 178.5 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | N2 | N2-S4 PolarHBondContact O-N 3.31Š|
| 5 | E | 37.9 | Very low | 32.1 | Very low | 74 Ų | 74 | 103.7 Ų | 103.7 | 35% | 0.346 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -27.9 | 176 | -79.2 | -176.1 | 146.9 | 0 | 0 | 112 | N2 V7 W8 K198 | N2-E5 PolarHBondContact O-N 3.16Å; E5-V7 PolarHBondContact O-N 2.94Å; E5-W8 PolarHBondContact O-N 3.16Å; E5-W8 VanDerWaalsContact O-N 3.16Å; E5-K198 IonicContact OE1-NZ 3.41Å |
| 6 | S | 31.5 | Very low | 31.9 | Very low | 54 Ų | 54 | 107.8 Ų | 107.8 | 38% | 0.378 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.5 | -19.3 | 172.4 | 42.5 | 0 | 0 | 0 | 0 | 113.4 | L3 W8 L9 A10 | L3-S6 VanDerWaalsContact C-OG 3.26Å; L3-S6 WeakPolarHBondContact CA-OG 3.48Å; L3-S6 PolarHBondContact O-OG 3.03Å; S6-W8 VanDerWaalsContact C-N 3.27Å; S6-W8 PolarHBondContact O-N 3.15Å; S6-L9 PolarHBondContact O-N 3.22Å; S6-A10 VanDerWaalsContact O-CB 3.25Å; S6-A10 WeakPolarHBondContact O-CB 3.41Å; S6-A10 PolarHBondContact O-N 2.94Å |
| 7 | V | 32.7 | Very low | 31.6 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70 | -26.6 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | E5 L9 G11 L278 | E5-V7 PolarHBondContact O-N 2.94Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-G11 PolarHBondContact O-N 2.97Å; V7-L278 HydrophobicContact CB-CD1 4.06Å; V7-L278 HydrophobicContact CG1-CD1 3.63Å |
| 8 | W | 38.7 | Very low | 31.6 | Very low | 90 Ų | 90 | 109.1 Ų | 109.1 | 34% | 0.341 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -76.4 | -22.4 | 173 | -63.7 | 109.1 | 0 | 0 | 0 | 113.3 | E5 S6 F276 L278 F283 | E5-W8 PolarHBondContact O-N 3.16Å; E5-W8 VanDerWaalsContact O-N 3.16Å; S6-W8 VanDerWaalsContact C-N 3.27Å; S6-W8 PolarHBondContact O-N 3.15Å; W8-F276 HydrophobicContact CZ2-CD1 4.34Å; W8-L278 HydrophobicContact CD2-CD2 4.17Å; W8-L278 HydrophobicContact CH2-CD2 3.58Å; W8-L278 HydrophobicContact CZ2-CD2 3.03Å; W8-L278 HydrophobicContact CZ3-CD2 4.33Å; W8-F283 HydrophobicContact CZ3-CD2 4.38Å |
| 9 | L | 37.4 | Very low | 31.7 | Very low | 108 Ų | 108 | 111.8 Ų | 111.8 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -98 | -18.5 | 178.3 | -70.9 | 170.4 | 0 | 0 | 0 | 113.4 | S6 V7 | S6-L9 PolarHBondContact O-N 3.22Å; V7-L9 VanDerWaalsContact C-N 3.34Å |
| 10 | A | 28.5 | Very low | 31.7 | Very low | 80 Ų | 80 | 116 Ų | 116 | 66% | 0.661 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -106.8 | 1.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S6 E12 | S6-A10 VanDerWaalsContact O-CB 3.25Å; S6-A10 WeakPolarHBondContact O-CB 3.41Å; S6-A10 PolarHBondContact O-N 2.94Å; A10-E12 PolarHBondContact O-N 3.42Å; A10-E12 VanDerWaalsContact O-N 3.11Å |
| 11 | G | 31.5 | Very low | 31.9 | Very low | 51 Ų | 51 | 119.3 Ų | 119.3 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -77.2 | 90.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | V7 | V7-G11 PolarHBondContact O-N 2.97Š|
| 12 | E | 30.2 | Very low | 31.9 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 51% | 0.505 | 63% | 0.631 | S | S | . | * | trans | -27.6 | 121.1 | 166.2 | -63.1 | -109.8 | 137.6 | 0 | 0 | 112 | A10 W14 N15 | A10-E12 PolarHBondContact O-N 3.42Å; A10-E12 VanDerWaalsContact O-N 3.11Å; E12-W14 VanDerWaalsContact C-N 3.29Å; E12-W14 PolarHBondContact O-N 3.01Å; E12-N15 WeakPolarHBondContact OE2-CB 3.44Å; E12-N15 PolarHBondContact OE2-ND2 3.43Å | ||
| 13 | P | 34.4 | Very low | 32.3 | Very low | 72 Ų | 72 | 113.6 Ų | 113.6 | 47% | 0.468 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -70.7 | 98.6 | 162.4 | 29.6 | -26.1 | 0 | 0 | 0 | 105.4 | ||
| 14 | W | 33.3 | Very low | 32.7 | Very low | 156 Ų | 156 | 113.8 Ų | 113.8 | 59% | 0.591 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 74.6 | 86.7 | 174.7 | -45 | 95.6 | 0 | 0 | 0 | 115.7 | E12 D32 | E12-W14 VanDerWaalsContact C-N 3.29Å; E12-W14 PolarHBondContact O-N 3.01Å; W14-D32 VanDerWaalsContact CE2-OD2 3.28Å; W14-D32 HydrophobicContact CH2-CB 3.97Å; W14-D32 VanDerWaalsContact CH2-CG 3.49Å; W14-D32 HydrophobicContact CZ2-CB 3.91Å; W14-D32 WeakPolarHBondContact CZ2-OD2 3.49Å |
| 15 | N | 22.7 | Very low | 32.9 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 54% | 0.54 | 65% | 0.646 | S | S | . | * | trans | -140.6 | 74.1 | 146.1 | -104.5 | -30.3 | 0 | 0 | 0 | 110 | E12 T17 | E12-N15 WeakPolarHBondContact OE2-CB 3.44Å; E12-N15 PolarHBondContact OE2-ND2 3.43Å; N15-T17 PolarHBondContact O-N 2.91Å; N15-T17 PolarHBondContact OD1-OG1 3.35Å | ||
| 16 | L | 28.2 | Very low | 32.9 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 89% | 0.89 | 66% | 0.661 | S | S | * | * | trans | -85.3 | 64.1 | 150.7 | -142.2 | 99.6 | 0 | 0 | 0 | 107.6 | ||||
| 17 | T | 27.7 | Very low | 33.2 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 64% | 0.644 | 67% | 0.665 | S | S | * | * | trans | -105 | 65.6 | 163.5 | 41.4 | 0 | 0 | 0 | 0 | 107.9 | N15 | N15-T17 PolarHBondContact O-N 2.91Å; N15-T17 PolarHBondContact OD1-OG1 3.35Å | ||
| 18 | V | 30.5 | Very low | 33.7 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 81% | 0.812 | 68% | 0.683 | S | S | * | * | trans | -77.6 | 113.3 | 146.5 | 177.6 | 0 | 0 | 0 | 0 | 104.4 | E20 | V18-E20 PolarHBondContact O-N 2.92Š| ||
| 19 | L | 34.3 | Very low | 33.9 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | trans | -44.3 | 119.9 | 177 | -66.4 | 161.5 | 0 | 0 | 0 | 110.7 | ||||
| 20 | E | 31.6 | Very low | 34.3 | Very low | 195 Ų | 195 | 130.9 Ų | 130.9 | 91% | 0.911 | 71% | 0.708 | S | S | * | * | trans | -155.9 | 133.6 | 149.2 | -114.6 | 167.4 | -168.1 | 0 | 0 | 110.1 | V18 | V18-E20 PolarHBondContact O-N 2.92Š| ||
| 21 | E | 35.4 | Very low | 35.5 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | trans | -63.9 | 148.2 | -170 | -66.2 | 169.1 | 137.2 | 0 | 0 | 113 | ||||
| 22 | D | 39 | Very low | 37.2 | Very low | 171 Ų | 171 | 130 Ų | 130 | 91% | 0.914 | 68% | 0.68 | S | S | * | * | trans | 52.4 | 92.6 | 161.3 | -69.4 | -15.6 | 0 | 0 | 0 | 119 | ||||
| 23 | G | 34.3 | Very low | 39.1 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 69% | 0.685 | S | S | * | * | trans | -177.6 | 71.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K25 | G23-K25 PolarHBondContact O-N 2.91Š| ||
| 24 | E | 35.5 | Very low | 40.8 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 71% | 0.71 | 69% | 0.691 | S | S | * | * | trans | -51.6 | 102.4 | 171.8 | -95.1 | -166.4 | 139.4 | 0 | 0 | 111.4 | K26 | E24-K26 PolarHBondContact O-N 3.14Å; E24-K26 WeakPolarHBondContact OE1-CE 3.27Å; E24-K26 IonicContact OE1-NZ 2.7Å; E24-K26 PolarHBondContact OE1-NZ 3.43Å; E24-K26 IonicContact OE2-NZ 2.89Å; E24-K26 PolarHBondContact OE2-NZ 2.85Å | ||
| 25 | K | 36.2 | Very low | 42.8 | Very low | 197 Ų | 197 | 124.2 Ų | 124.2 | 86% | 0.857 | 67% | 0.67 | S | S | * | * | trans | -85.1 | 88.4 | 147.8 | -76 | -174.9 | -177.8 | 173 | 0 | 107.4 | G23 N27 | G23-K25 PolarHBondContact O-N 2.91Å; K25-N27 PolarHBondContact O-N 3.37Å | ||
| 26 | K | 36.7 | Very low | 45.5 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 67% | 0.67 | 67% | 0.669 | S | S | * | * | trans | -61.5 | 105.9 | 166.5 | -82.9 | -176.8 | 164.6 | 109 | 0 | 108.8 | E24 L28 | E24-K26 PolarHBondContact O-N 3.14Å; E24-K26 WeakPolarHBondContact OE1-CE 3.27Å; E24-K26 IonicContact OE1-NZ 2.7Å; E24-K26 PolarHBondContact OE1-NZ 3.43Å; E24-K26 IonicContact OE2-NZ 2.89Å; E24-K26 PolarHBondContact OE2-NZ 2.85Å; K26-L28 PolarHBondContact O-N 3.44Å | ||
| 27 | N | 38.8 | Very low | 48.1 | Very low | 85 Ų | 85 | 122.6 Ų | 122.6 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | trans | -61.4 | 115.6 | 164.8 | -72.4 | -21.9 | 0 | 0 | 0 | 107.6 | K25 F29 G30 | K25-N27 PolarHBondContact O-N 3.37Å; N27-F29 PolarHBondContact O-N 3.36Å; N27-G30 PolarHBondContact O-N 3.44Å | ||
| 28 | L | 43.2 | Very low | 50.6 | Low | 159 Ų | 159 | 118.3 Ų | 118.3 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -13.3 | -173.7 | -164.1 | 67.9 | 0 | 0 | 0 | 113.7 | K26 | K26-L28 PolarHBondContact O-N 3.44Š|
| 29 | F | 43.3 | Very low | 53.3 | Low | 175 Ų | 175 | 114.9 Ų | 114.9 | 77% | 0.768 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.1 | 10 | 177.5 | -77.4 | -77.9 | 0 | 0 | 0 | 115.7 | N27 I31 | N27-F29 PolarHBondContact O-N 3.36Å; F29-I31 PolarHBondContact O-N 3.4Å; F29-I31 VanDerWaalsContact O-N 3.11Å |
| 30 | G | 44.8 | Very low | 55.9 | Low | 66 Ų | 66 | 111.2 Ų | 111.2 | 68% | 0.68 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 62.9 | 14.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | N27 | N27-G30 PolarHBondContact O-N 3.44Š|
| 31 | I | 54.8 | Low | 58.6 | Low | 74 Ų | 74 | 105.4 Ų | 105.4 | 38% | 0.379 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -113 | 128.8 | 175.8 | -62.1 | 170.6 | 0 | 0 | 0 | 108 | F29 N35 | F29-I31 PolarHBondContact O-N 3.4Å; F29-I31 VanDerWaalsContact O-N 3.11Å; I31-N35 HydrophobicContact CG2-CB 3.72Å |
| 32 | D | 65.9 | Low | 61.3 | Low | 38 Ų | 38 | 96.7 Ų | 96.7 | 20% | 0.203 | 52% | 0.517 | C | S | . | . | trans | -58.8 | 141.5 | 176.3 | -56 | -54.1 | 0 | 0 | 0 | 111.3 | W14 S34 N35 Y36 | W14-D32 VanDerWaalsContact CE2-OD2 3.28Å; W14-D32 HydrophobicContact CH2-CB 3.97Å; W14-D32 VanDerWaalsContact CH2-CG 3.49Å; W14-D32 HydrophobicContact CZ2-CB 3.91Å; W14-D32 WeakPolarHBondContact CZ2-OD2 3.49Å; D32-S34 PolarHBondContact O-N 3.35Å; D32-S34 VanDerWaalsContact O-N 3.1Å; D32-N35 WeakPolarHBondContact O-CB 3.37Å; D32-N35 PolarHBondContact O-N 2.94Å; D32-N35 PolarHBondContact OD2-ND2 3.23Å; D32-Y36 PolarHBondContact O-N 2.92Å | ||
| 33 | T | 70.8 | Confident | 63.8 | Low | 101 Ų | 101 | 93.4 Ų | 93.4 | 62% | 0.62 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -54.2 | -35.7 | -176.6 | -50.3 | 0 | 0 | 0 | 0 | 112.6 | Y36 I37 | T33-Y36 PolarHBondContact O-N 3.08Å; T33-I37 HydrophobicContact CG2-CD1 4.16Å; T33-I37 VanDerWaalsContact O-CG1 3.29Å; T33-I37 WeakPolarHBondContact O-CG1 3.39Å; T33-I37 PolarHBondContact O-N 2.89Å; T33-I37 VanDerWaalsContact O-N 3.1Å |
| 34 | S | 69.9 | Low | 66.6 | Low | 85 Ų | 85 | 94.4 Ų | 94.4 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64 | -38.9 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | D32 I37 A38 | D32-S34 PolarHBondContact O-N 3.35Å; D32-S34 VanDerWaalsContact O-N 3.1Å; S34-I37 PolarHBondContact O-N 3.05Å; S34-A38 PolarHBondContact O-N 3.32Å |
| 35 | N | 75.1 | Confident | 69.3 | Low | 29 Ų | 29 | 87.4 Ų | 87.4 | 16% | 0.155 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70.7 | -38.9 | -179.9 | -60.9 | -8.7 | 0 | 0 | 0 | 110.5 | I31 D32 A38 L39 Y98 | I31-N35 HydrophobicContact CG2-CB 3.72Å; D32-N35 WeakPolarHBondContact O-CB 3.37Å; D32-N35 PolarHBondContact O-N 2.94Å; D32-N35 PolarHBondContact OD2-ND2 3.23Å; N35-A38 PolarHBondContact O-N 3.28Å; N35-L39 WeakPolarHBondContact O-CG 3.14Å; N35-L39 PolarHBondContact O-N 2.86Å; N35-Y98 PolarHBondContact OD1-O 3.09Å |
| 36 | Y | 80.5 | Confident | 72.1 | Confident | 131 Ų | 131 | 81.1 Ų | 81.1 | 51% | 0.514 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.8 | -176.5 | -101.6 | 0 | 0 | 0 | 112.2 | D32 T33 L39 L40 | D32-Y36 PolarHBondContact O-N 2.92Å; T33-Y36 PolarHBondContact O-N 3.08Å; Y36-L39 PolarHBondContact O-N 3.4Å; Y36-L40 HydrophobicContact CD1-CD1 3.89Å; Y36-L40 HydrophobicContact CD1-CG 4.35Å; Y36-L40 HydrophobicContact CE1-CD1 3.32Å; Y36-L40 HydrophobicContact CE1-CG 3.95Å; Y36-L40 WeakPolarHBondContact O-CG 3.21Å; Y36-L40 PolarHBondContact O-N 3.01Å |
| 37 | I | 82.6 | Confident | 74.7 | Confident | 105 Ų | 105 | 76.4 Ų | 76.4 | 54% | 0.538 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 176.3 | -68.1 | 165.4 | 0 | 0 | 0 | 110.9 | T33 S34 L39 L40 F41 | T33-I37 HydrophobicContact CG2-CD1 4.16Å; T33-I37 VanDerWaalsContact O-CG1 3.29Å; T33-I37 WeakPolarHBondContact O-CG1 3.39Å; T33-I37 PolarHBondContact O-N 2.89Å; T33-I37 VanDerWaalsContact O-N 3.1Å; S34-I37 PolarHBondContact O-N 3.05Å; I37-L39 PolarHBondContact O-N 3.45Å; I37-L40 PolarHBondContact O-N 3.3Å; I37-F41 WeakPolarHBondContact O-CB 3.33Å; I37-F41 PolarHBondContact O-N 3.29Å |
| 38 | A | 80.5 | Confident | 77.3 | Confident | 15 Ų | 15 | 76.6 Ų | 76.6 | 12% | 0.124 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S34 N35 F41 F42 | S34-A38 PolarHBondContact O-N 3.32Å; N35-A38 PolarHBondContact O-N 3.28Å; A38-F41 WeakPolarHBondContact O-CB 3.42Å; A38-F41 PolarHBondContact O-N 2.96Å; A38-F42 WeakPolarHBondContact O-CD2 3.43Å; A38-F42 PolarHBondContact O-N 3.13Å |
| 39 | L | 85.4 | Confident | 79.6 | Confident | 62 Ų | 62 | 69 Ų | 69 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 177.2 | -79.7 | 173.8 | 0 | 0 | 0 | 112.9 | N35 Y36 I37 F41 F42 L43 V99 | N35-L39 WeakPolarHBondContact O-CG 3.14Å; N35-L39 PolarHBondContact O-N 2.86Å; Y36-L39 PolarHBondContact O-N 3.4Å; I37-L39 PolarHBondContact O-N 3.45Å; L39-F41 VanDerWaalsContact C-N 3.26Å; L39-F41 PolarHBondContact O-N 3.24Å; L39-F42 PolarHBondContact O-N 2.96Å; L39-L43 VanDerWaalsContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CB 3.31Å; L39-L43 PolarHBondContact O-N 3.1Å; L39-V99 HydrophobicContact CD1-CG1 4.24Å; L39-V99 HydrophobicContact CD1-CG2 4.02Å; L39-V99 HydrophobicContact CD2-CG2 3.67Å; L39-V99 HydrophobicContact CG-CG2 3.58Å |
| 40 | L | 89 | Confident | 82.1 | Confident | 83 Ų | 83 | 62 Ų | 62 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 176 | -74.2 | -178.7 | 0 | 0 | 0 | 111.7 | Y36 I37 L43 L44 | Y36-L40 HydrophobicContact CD1-CD1 3.89Å; Y36-L40 HydrophobicContact CD1-CG 4.35Å; Y36-L40 HydrophobicContact CE1-CD1 3.32Å; Y36-L40 HydrophobicContact CE1-CG 3.95Å; Y36-L40 WeakPolarHBondContact O-CG 3.21Å; Y36-L40 PolarHBondContact O-N 3.01Å; I37-L40 PolarHBondContact O-N 3.3Å; L40-L43 PolarHBondContact O-N 3.02Å; L40-L44 WeakPolarHBondContact O-CB 3.24Å; L40-L44 PolarHBondContact O-N 3.17Å |
| 41 | F | 89.7 | Confident | 84.3 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 178.3 | -171.8 | -102.1 | 0 | 0 | 0 | 112.1 | I37 A38 L39 L43 L44 I45 C291 S295 | I37-F41 WeakPolarHBondContact O-CB 3.33Å; I37-F41 PolarHBondContact O-N 3.29Å; A38-F41 WeakPolarHBondContact O-CB 3.42Å; A38-F41 PolarHBondContact O-N 2.96Å; L39-F41 VanDerWaalsContact C-N 3.26Å; L39-F41 PolarHBondContact O-N 3.24Å; F41-L43 VanDerWaalsContact C-N 3.34Å; F41-L43 PolarHBondContact O-N 3.37Å; F41-L44 WeakPolarHBondContact O-CB 3.31Å; F41-L44 PolarHBondContact O-N 3.49Å; F41-I45 HydrophobicContact CD1-CD1 3.66Å; F41-I45 HydrophobicContact CD1-CG1 4.39Å; F41-I45 HydrophobicContact CE1-CD1 3.35Å; F41-I45 HydrophobicContact CE1-CG1 4.15Å; F41-I45 HydrophobicContact CZ-CD1 4.09Å; F41-I45 WeakPolarHBondContact O-CG1 3.29Å; F41-I45 PolarHBondContact O-N 2.84Å; F41-C291 HydrophobicContact CD1-CB 3.96Å; F41-C291 HydrophobicContact CE1-CB 3.42Å; F41-C291 VanDerWaalsContact CE1-CB 3.42Å; F41-C291 WeakPolarHBondContact CE1-O 3.28Å; F41-C291 HydrophobicContact CZ-CB 4.19Å; F41-S295 VanDerWaalsContact CZ-OG 3.22Å; F41-S295 WeakPolarHBondContact CZ-OG 3.31Å |
| 42 | F | 90.4 | Very high | 86 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64 | -37.3 | 174.8 | -78.7 | -66 | 0 | 0 | 0 | 112.8 | A38 L39 L44 I45 F46 I91 Y98 Y294 | A38-F42 WeakPolarHBondContact O-CD2 3.43Å; A38-F42 PolarHBondContact O-N 3.13Å; L39-F42 PolarHBondContact O-N 2.96Å; F42-L44 VanDerWaalsContact C-N 3.33Å; F42-I45 HydrophobicContact CD1-CD1 4.35Å; F42-I45 PolarHBondContact O-N 3.47Å; F42-F46 VanDerWaalsContact O-CB 3.29Å; F42-F46 WeakPolarHBondContact O-CB 3.34Å; F42-F46 PolarHBondContact O-N 3.31Å; F42-I91 HydrophobicContact CD1-CG2 3.97Å; F42-Y98 AromaticContact CE2-CD2 3.52Å; F42-Y98 HydrophobicContact CE2-CD2 3.52Å; F42-Y98 AromaticContact CE2-CE2 3.94Å; F42-Y98 HydrophobicContact CE2-CE2 3.94Å; F42-Y98 HydrophobicContact CE2-CG 4.15Å; F42-Y98 AromaticContact CZ-CD2 3.67Å; F42-Y98 HydrophobicContact CZ-CD2 3.67Å; F42-Y98 AromaticContact CZ-CE2 3.59Å; F42-Y98 HydrophobicContact CZ-CE2 3.59Å; F42-Y294 AromaticContact CE1-CD2 3.38Å; F42-Y294 HydrophobicContact CE1-CD2 3.38Å; F42-Y294 AromaticContact CE1-CE2 3.95Å; F42-Y294 HydrophobicContact CE1-CE2 3.95Å; F42-Y294 HydrophobicContact CE1-CG 4.15Å; F42-Y294 AromaticContact CZ-CD2 3.61Å; F42-Y294 HydrophobicContact CZ-CD2 3.61Å; F42-Y294 AromaticContact CZ-CE2 3.81Å; F42-Y294 HydrophobicContact CZ-CE2 3.81Å |
| 43 | L | 92.1 | Very high | 87.3 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 53% | 0.534 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 173.9 | -179.2 | 63.6 | 0 | 0 | 0 | 111.3 | L39 L40 F41 F46 T47 | L39-L43 VanDerWaalsContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CB 3.31Å; L39-L43 PolarHBondContact O-N 3.1Å; L40-L43 PolarHBondContact O-N 3.02Å; F41-L43 VanDerWaalsContact C-N 3.34Å; F41-L43 PolarHBondContact O-N 3.37Å; L43-F46 PolarHBondContact O-N 3.15Å; L43-T47 HydrophobicContact CD1-CG2 4.08Å; L43-T47 HydrophobicContact CG-CG2 4.44Å; L43-T47 WeakPolarHBondContact O-CB 3.37Å; L43-T47 VanDerWaalsContact O-CG2 3.28Å; L43-T47 WeakPolarHBondContact O-CG2 3.45Å; L43-T47 PolarHBondContact O-N 2.89Å; L43-T47 PolarHBondContact O-OG1 2.73Å |
| 44 | L | 92.5 | Very high | 88.4 | Confident | 91 Ų | 91 | 57.4 Ų | 57.4 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 175.4 | -176.7 | 66.9 | 0 | 0 | 0 | 111.6 | L40 F41 F42 F46 T47 L48 | L40-L44 WeakPolarHBondContact O-CB 3.24Å; L40-L44 PolarHBondContact O-N 3.17Å; F41-L44 WeakPolarHBondContact O-CB 3.31Å; F41-L44 PolarHBondContact O-N 3.49Å; F42-L44 VanDerWaalsContact C-N 3.33Å; L44-F46 VanDerWaalsContact C-N 3.34Å; L44-F46 PolarHBondContact O-N 3.36Å; L44-T47 PolarHBondContact O-OG1 3.42Å; L44-T47 VanDerWaalsContact O-OG1 3.12Å; L44-L48 HydrophobicContact CD1-CD1 3.66Å; L44-L48 HydrophobicContact CD1-CG 3.91Å; L44-L48 HydrophobicContact CG-CD1 3.81Å; L44-L48 HydrophobicContact CG-CG 4.34Å; L44-L48 VanDerWaalsContact O-CB 3.31Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 WeakPolarHBondContact O-CG 3.45Å; L44-L48 PolarHBondContact O-N 3.2Å |
| 45 | I | 92.7 | Very high | 89.3 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.1 | -51.5 | 174.8 | -70.4 | 170.7 | 0 | 0 | 0 | 109.9 | F41 F42 G49 L87 S295 S298 | F41-I45 HydrophobicContact CD1-CD1 3.66Å; F41-I45 HydrophobicContact CD1-CG1 4.39Å; F41-I45 HydrophobicContact CE1-CD1 3.35Å; F41-I45 HydrophobicContact CE1-CG1 4.15Å; F41-I45 HydrophobicContact CZ-CD1 4.09Å; F41-I45 WeakPolarHBondContact O-CG1 3.29Å; F41-I45 PolarHBondContact O-N 2.84Å; F42-I45 HydrophobicContact CD1-CD1 4.35Å; F42-I45 PolarHBondContact O-N 3.47Å; I45-G49 WeakPolarHBondContact O-CA 3.28Å; I45-G49 PolarHBondContact O-N 3.02Å; I45-L87 HydrophobicContact CG2-CD2 3.86Å; I45-S295 WeakPolarHBondContact CD1-OG 3.43Å; I45-S298 VanDerWaalsContact CG2-OG 3.27Å; I45-S298 WeakPolarHBondContact CG2-OG 3.48Å; I45-S298 PolarHBondContact O-OG 2.59Å |
| 46 | F | 94.3 | Very high | 89.9 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 29% | 0.285 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.2 | -51.6 | -176.8 | -178.2 | -91.8 | 0 | 0 | 0 | 111.3 | F42 L43 L44 G49 V50 L87 L88 I91 P92 | F42-F46 VanDerWaalsContact O-CB 3.29Å; F42-F46 WeakPolarHBondContact O-CB 3.34Å; F42-F46 PolarHBondContact O-N 3.31Å; L43-F46 PolarHBondContact O-N 3.15Å; L44-F46 VanDerWaalsContact C-N 3.34Å; L44-F46 PolarHBondContact O-N 3.36Å; F46-G49 PolarHBondContact O-N 2.84Å; F46-V50 HydrophobicContact CD1-CG2 4.36Å; F46-V50 HydrophobicContact CD2-CG2 4.21Å; F46-V50 HydrophobicContact CE1-CG2 4.15Å; F46-V50 HydrophobicContact CE2-CG2 4.01Å; F46-V50 HydrophobicContact CG-CG2 4.39Å; F46-V50 HydrophobicContact CZ-CG2 3.98Å; F46-V50 VanDerWaalsContact O-CB 3.28Å; F46-V50 WeakPolarHBondContact O-CB 3.5Å; F46-V50 VanDerWaalsContact O-CG2 3.23Å; F46-V50 WeakPolarHBondContact O-CG2 3.46Å; F46-V50 PolarHBondContact O-N 2.9Å; F46-L87 VanDerWaalsContact CD2-O 3.29Å; F46-L87 WeakPolarHBondContact CD2-O 3.48Å; F46-L87 VanDerWaalsContact CE2-O 3.31Å; F46-L87 WeakPolarHBondContact CE2-O 3.45Å; F46-L88 HydrophobicContact CE2-CD2 4.11Å; F46-L88 HydrophobicContact CZ-CD2 4Å; F46-I91 HydrophobicContact CB-CG2 4.41Å; F46-P92 HydrophobicContact CD2-CG 4.29Å; F46-P92 HydrophobicContact CE2-CG 4.06Å |
| 47 | T | 92.8 | Very high | 90.4 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.3 | -51.3 | -177.3 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | L43 L44 G49 L51 | L43-T47 HydrophobicContact CD1-CG2 4.08Å; L43-T47 HydrophobicContact CG-CG2 4.44Å; L43-T47 WeakPolarHBondContact O-CB 3.37Å; L43-T47 VanDerWaalsContact O-CG2 3.28Å; L43-T47 WeakPolarHBondContact O-CG2 3.45Å; L43-T47 PolarHBondContact O-N 2.89Å; L43-T47 PolarHBondContact O-OG1 2.73Å; L44-T47 PolarHBondContact O-OG1 3.42Å; L44-T47 VanDerWaalsContact O-OG1 3.12Å; T47-G49 VanDerWaalsContact C-N 3.33Å; T47-G49 PolarHBondContact O-N 3.18Å; T47-L51 VanDerWaalsContact O-CB 3.3Å; T47-L51 WeakPolarHBondContact O-CB 3.46Å; T47-L51 VanDerWaalsContact O-CG 3.23Å; T47-L51 WeakPolarHBondContact O-CG 3.29Å; T47-L51 PolarHBondContact O-N 3.35Å |
| 48 | L | 92 | Very high | 90.7 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 46% | 0.461 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 178.4 | -68.4 | -179.9 | 0 | 0 | 0 | 111.7 | L44 G52 | L44-L48 HydrophobicContact CD1-CD1 3.66Å; L44-L48 HydrophobicContact CD1-CG 3.91Å; L44-L48 HydrophobicContact CG-CD1 3.81Å; L44-L48 HydrophobicContact CG-CG 4.34Å; L44-L48 VanDerWaalsContact O-CB 3.31Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 WeakPolarHBondContact O-CG 3.45Å; L44-L48 PolarHBondContact O-N 3.2Å; L48-G52 WeakPolarHBondContact O-CA 3.34Å; L48-G52 PolarHBondContact O-N 3.08Å |
| 49 | G | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.8 | -48.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I45 F46 T47 N53 L87 S298 | I45-G49 WeakPolarHBondContact O-CA 3.28Å; I45-G49 PolarHBondContact O-N 3.02Å; F46-G49 PolarHBondContact O-N 2.84Å; T47-G49 VanDerWaalsContact C-N 3.33Å; T47-G49 PolarHBondContact O-N 3.18Å; G49-N53 VanDerWaalsContact O-CB 3.28Å; G49-N53 WeakPolarHBondContact O-CB 3.48Å; G49-N53 PolarHBondContact O-N 3.33Å; G49-N53 PolarHBondContact O-ND2 3.46Å; G49-L87 VanDerWaalsContact CA-CD1 3.46Å; G49-S298 WeakPolarHBondContact CA-OG 3.48Å |
| 50 | V | 94.6 | Very high | 90.8 | Very high | 29 Ų | 29 | 44 Ų | 44 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -48.1 | -178.9 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | F46 S54 L84 L87 L88 | F46-V50 HydrophobicContact CD1-CG2 4.36Å; F46-V50 HydrophobicContact CD2-CG2 4.21Å; F46-V50 HydrophobicContact CE1-CG2 4.15Å; F46-V50 HydrophobicContact CE2-CG2 4.01Å; F46-V50 HydrophobicContact CG-CG2 4.39Å; F46-V50 HydrophobicContact CZ-CG2 3.98Å; F46-V50 VanDerWaalsContact O-CB 3.28Å; F46-V50 WeakPolarHBondContact O-CB 3.5Å; F46-V50 VanDerWaalsContact O-CG2 3.23Å; F46-V50 WeakPolarHBondContact O-CG2 3.46Å; F46-V50 PolarHBondContact O-N 2.9Å; V50-S54 WeakPolarHBondContact O-CB 3.46Å; V50-S54 PolarHBondContact O-N 2.9Å; V50-S54 PolarHBondContact O-OG 2.9Å; V50-L84 HydrophobicContact CB-CD1 4.32Å; V50-L84 HydrophobicContact CG1-CD1 4.12Å; V50-L84 HydrophobicContact CG2-CD1 4.16Å; V50-L87 HydrophobicContact CG2-CB 4.08Å; V50-L88 HydrophobicContact CG2-CD2 3.99Å |
| 51 | L | 91.8 | Very high | 90.6 | Very high | 126 Ų | 126 | 43.1 Ų | 43.1 | 66% | 0.66 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.1 | -48.2 | 178.2 | -68.6 | 174.8 | 0 | 0 | 0 | 111.2 | T47 M55 | T47-L51 VanDerWaalsContact O-CB 3.3Å; T47-L51 WeakPolarHBondContact O-CB 3.46Å; T47-L51 VanDerWaalsContact O-CG 3.23Å; T47-L51 WeakPolarHBondContact O-CG 3.29Å; T47-L51 PolarHBondContact O-N 3.35Å; L51-M55 VanDerWaalsContact O-CB 3.29Å; L51-M55 WeakPolarHBondContact O-CB 3.37Å; L51-M55 PolarHBondContact O-N 3.19Å |
| 52 | G | 90.8 | Very high | 90.1 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -51.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L48 M55 V56 P301 | L48-G52 WeakPolarHBondContact O-CA 3.34Å; L48-G52 PolarHBondContact O-N 3.08Å; G52-M55 WeakPolarHBondContact O-CB 3.3Å; G52-M55 PolarHBondContact O-N 3.4Å; G52-V56 WeakPolarHBondContact O-CG2 3.37Å; G52-V56 PolarHBondContact O-N 3.4Å; G52-P301 VanDerWaalsContact C-CB 3.46Å; G52-P301 VanDerWaalsContact C-CG 3.42Å; G52-P301 VanDerWaalsContact CA-CB 3.5Å |
| 53 | N | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.7 | -38.2 | -178.3 | -74.9 | -63.4 | 0 | 0 | 0 | 111.9 | G49 M55 V56 I57 S80 L84 S297 P301 | G49-N53 VanDerWaalsContact O-CB 3.28Å; G49-N53 WeakPolarHBondContact O-CB 3.48Å; G49-N53 PolarHBondContact O-N 3.33Å; G49-N53 PolarHBondContact O-ND2 3.46Å; N53-M55 VanDerWaalsContact C-N 3.27Å; N53-M55 PolarHBondContact O-N 3.33Å; N53-V56 PolarHBondContact O-N 2.94Å; N53-I57 VanDerWaalsContact O-CG1 3.29Å; N53-I57 WeakPolarHBondContact O-CG1 3.29Å; N53-I57 PolarHBondContact O-N 3.33Å; N53-S80 WeakPolarHBondContact OD1-CA 3.42Å; N53-S80 PolarHBondContact OD1-OG 3.25Å; N53-L84 HydrophobicContact CB-CB 4.38Å; N53-S297 PolarHBondContact ND2-O 3.24Å; N53-P301 HydrophobicContact CB-CG 4.35Å; N53-P301 WeakPolarHBondContact OD1-CG 3.33Å |
| 54 | S | 92 | Very high | 87.8 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 173.4 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | V50 I57 T58 | V50-S54 WeakPolarHBondContact O-CB 3.46Å; V50-S54 PolarHBondContact O-N 2.9Å; V50-S54 PolarHBondContact O-OG 2.9Å; S54-I57 PolarHBondContact O-N 3.4Å; S54-T58 WeakPolarHBondContact O-CB 3.48Å; S54-T58 PolarHBondContact O-N 3.15Å; S54-T58 PolarHBondContact O-OG1 3.49Å |
| 55 | M | 88.9 | Confident | 86.1 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 176 | -163.3 | -170.1 | -169.5 | 0 | 0 | 112 | L51 G52 N53 I57 T58 V59 Y315 F319 | L51-M55 VanDerWaalsContact O-CB 3.29Å; L51-M55 WeakPolarHBondContact O-CB 3.37Å; L51-M55 PolarHBondContact O-N 3.19Å; G52-M55 WeakPolarHBondContact O-CB 3.3Å; G52-M55 PolarHBondContact O-N 3.4Å; N53-M55 VanDerWaalsContact C-N 3.27Å; N53-M55 PolarHBondContact O-N 3.33Å; M55-I57 PolarHBondContact O-N 2.87Å; M55-T58 PolarHBondContact O-N 2.92Å; M55-V59 WeakPolarHBondContact O-CG2 3.25Å; M55-V59 PolarHBondContact O-N 2.9Å; M55-Y315 HydrophobicContact CB-CE1 4.14Å; M55-Y315 HydrophobicContact CE-CD1 3.21Å; M55-Y315 HydrophobicContact CE-CE1 4.01Å; M55-Y315 HydrophobicContact CE-CG 3.64Å; M55-Y315 HydrophobicContact CG-CD1 3.65Å; M55-Y315 HydrophobicContact CG-CE1 3.52Å; M55-Y315 HydrophobicContact SD-CD1 3.29Å; M55-Y315 WeakPolarHBondContact SD-CD1 3.4Å; M55-Y315 HydrophobicContact SD-CE1 3.44Å; M55-Y315 WeakPolarHBondContact SD-CE1 3.49Å; M55-Y315 HydrophobicContact SD-CG 3.93Å; M55-F319 HydrophobicContact CE-CD2 3.73Å; M55-F319 HydrophobicContact CE-CE1 4.36Å; M55-F319 HydrophobicContact CE-CE2 3.04Å; M55-F319 HydrophobicContact CE-CZ 3.41Å; M55-F319 VanDerWaalsContact CE-CZ 3.41Å; M55-F319 HydrophobicContact SD-CE2 4.22Å; M55-F319 HydrophobicContact SD-CZ 4.26Å |
| 56 | V | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.4 | -49.5 | 174.7 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | G52 N53 T58 V59 L60 I76 S80 P301 Y304 F311 Y315 | G52-V56 WeakPolarHBondContact O-CG2 3.37Å; G52-V56 PolarHBondContact O-N 3.4Å; N53-V56 PolarHBondContact O-N 2.94Å; V56-T58 VanDerWaalsContact C-N 3.34Å; V56-T58 PolarHBondContact O-N 3.22Å; V56-V59 PolarHBondContact O-N 2.83Å; V56-L60 HydrophobicContact CG1-CD1 3.86Å; V56-L60 HydrophobicContact CG1-CG 4.44Å; V56-L60 WeakPolarHBondContact O-CG 3.21Å; V56-L60 PolarHBondContact O-N 3.48Å; V56-I76 HydrophobicContact CG1-CG2 3.65Å; V56-S80 WeakPolarHBondContact CB-OG 3.35Å; V56-S80 VanDerWaalsContact CG1-OG 3.25Å; V56-S80 WeakPolarHBondContact CG1-OG 3.43Å; V56-P301 HydrophobicContact CG2-CB 4.15Å; V56-P301 HydrophobicContact CG2-CG 4.48Å; V56-Y304 HydrophobicContact CG2-CD2 4.25Å; V56-F311 HydrophobicContact CG1-CE1 4.19Å; V56-Y315 WeakPolarHBondContact CG2-OH 3.47Å |
| 57 | I | 90.6 | Very high | 83.1 | Confident | 41 Ų | 41 | 63.5 Ų | 63.5 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 178.9 | -67.4 | 164.8 | 0 | 0 | 0 | 110.2 | N53 S54 M55 V59 L60 A61 L77 I81 L84 | N53-I57 VanDerWaalsContact O-CG1 3.29Å; N53-I57 WeakPolarHBondContact O-CG1 3.29Å; N53-I57 PolarHBondContact O-N 3.33Å; S54-I57 PolarHBondContact O-N 3.4Å; M55-I57 PolarHBondContact O-N 2.87Å; I57-V59 PolarHBondContact O-N 3.36Å; I57-L60 PolarHBondContact O-N 2.94Å; I57-A61 VanDerWaalsContact O-CB 3.27Å; I57-A61 WeakPolarHBondContact O-CB 3.46Å; I57-A61 PolarHBondContact O-N 2.98Å; I57-L77 HydrophobicContact CB-CD1 4.46Å; I57-L77 HydrophobicContact CG1-CD1 4.07Å; I57-L77 HydrophobicContact CG2-CD1 4.32Å; I57-I81 HydrophobicContact CD1-CG1 4.11Å; I57-I81 HydrophobicContact CG1-CG1 4.42Å; I57-L84 HydrophobicContact CD1-CD2 3.87Å |
| 58 | T | 87.8 | Confident | 81.8 | Confident | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 179.7 | -60 | 0 | 0 | 0 | 0 | 112.1 | S54 M55 V56 L60 A61 R62 | S54-T58 WeakPolarHBondContact O-CB 3.48Å; S54-T58 PolarHBondContact O-N 3.15Å; S54-T58 PolarHBondContact O-OG1 3.49Å; M55-T58 PolarHBondContact O-N 2.92Å; V56-T58 VanDerWaalsContact C-N 3.34Å; V56-T58 PolarHBondContact O-N 3.22Å; T58-L60 PolarHBondContact O-N 3.23Å; T58-A61 PolarHBondContact O-N 3.13Å; T58-R62 HydrophobicContact CG2-CG 4.5Å; T58-R62 WeakPolarHBondContact O-CB 3.46Å; T58-R62 WeakPolarHBondContact O-CG 3.15Å; T58-R62 PolarHBondContact O-N 2.96Å |
| 59 | V | 84.8 | Confident | 81.1 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.5 | 162.1 | 0 | 0 | 0 | 0 | 111.6 | M55 V56 I57 A61 S63 F311 A314 Y315 V318 | M55-V59 WeakPolarHBondContact O-CG2 3.25Å; M55-V59 PolarHBondContact O-N 2.9Å; V56-V59 PolarHBondContact O-N 2.83Å; I57-V59 PolarHBondContact O-N 3.36Å; V59-A61 VanDerWaalsContact C-N 3.33Å; V59-S63 PolarHBondContact O-N 3.41Å; V59-S63 PolarHBondContact O-OG 3.46Å; V59-F311 HydrophobicContact CG1-CD1 4.2Å; V59-F311 HydrophobicContact CG1-CE1 4.31Å; V59-A314 HydrophobicContact CG1-CB 3.46Å; V59-A314 VanDerWaalsContact CG1-CB 3.46Å; V59-A314 HydrophobicContact CG2-CB 4.29Å; V59-Y315 HydrophobicContact CG2-CD1 3.57Å; V59-Y315 HydrophobicContact CG2-CE1 3.84Å; V59-V318 HydrophobicContact CG2-CG2 3.73Å |
| 60 | L | 84.9 | Confident | 80.7 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73.9 | -25.5 | -179.9 | -67.2 | 178.2 | 0 | 0 | 0 | 112.9 | V56 I57 T58 N73 I76 L77 F311 | V56-L60 HydrophobicContact CG1-CD1 3.86Å; V56-L60 HydrophobicContact CG1-CG 4.44Å; V56-L60 WeakPolarHBondContact O-CG 3.21Å; V56-L60 PolarHBondContact O-N 3.48Å; I57-L60 PolarHBondContact O-N 2.94Å; T58-L60 PolarHBondContact O-N 3.23Å; L60-N73 HydrophobicContact CD2-CB 4.03Å; L60-I76 HydrophobicContact CD1-CB 4.33Å; L60-I76 HydrophobicContact CD1-CG2 3.94Å; L60-L77 HydrophobicContact CB-CD1 4.48Å; L60-L77 HydrophobicContact CD1-CB 3.94Å; L60-L77 HydrophobicContact CD1-CD1 4.37Å; L60-F311 HydrophobicContact CD1-CE1 4.47Å; L60-F311 HydrophobicContact CD1-CZ 4.49Å; L60-F311 HydrophobicContact CD2-CE1 4Å; L60-F311 HydrophobicContact CD2-CZ 3.96Å; L60-F311 HydrophobicContact CG-CE1 4.16Å; L60-F311 HydrophobicContact CG-CZ 4.43Å |
| 61 | A | 83.5 | Confident | 80.3 | Confident | 63 Ų | 63 | 69 Ų | 69 | 52% | 0.521 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.3 | -40 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I57 T58 V59 S63 | I57-A61 VanDerWaalsContact O-CB 3.27Å; I57-A61 WeakPolarHBondContact O-CB 3.46Å; I57-A61 PolarHBondContact O-N 2.98Å; T58-A61 PolarHBondContact O-N 3.13Å; V59-A61 VanDerWaalsContact C-N 3.33Å; A61-S63 PolarHBondContact O-N 3.48Å |
| 62 | R | 79.5 | Confident | 79.9 | Confident | 145 Ų | 145 | 63.8 Ų | 63.8 | 55% | 0.547 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -77.3 | 1.7 | 178.7 | -70.6 | -178.1 | 179.2 | 163 | 2.2 | 114.8 | T58 | T58-R62 HydrophobicContact CG2-CG 4.5Å; T58-R62 WeakPolarHBondContact O-CB 3.46Å; T58-R62 WeakPolarHBondContact O-CG 3.15Å; T58-R62 PolarHBondContact O-N 2.96Å |
| 63 | S | 72.1 | Confident | 79.8 | Confident | 57 Ų | 57 | 65.3 Ų | 65.3 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -63.5 | 139.7 | 174.8 | -64.9 | 0 | 0 | 0 | 0 | 110.5 | V59 A61 | V59-S63 PolarHBondContact O-N 3.41Å; V59-S63 PolarHBondContact O-OG 3.46Å; A61-S63 PolarHBondContact O-N 3.48Å |
| 64 | K | 62.6 | Low | 79.7 | Confident | 176 Ų | 176 | 66.6 Ų | 66.6 | 77% | 0.765 | 38% | 0.376 | S | S | * | . | trans | -42 | 122.9 | -170.5 | -71.3 | -167.6 | 176.7 | -165.8 | 0 | 113.1 | K67 | K64-K67 PolarHBondContact O-N 2.99Š| ||
| 65 | P | 56.5 | Low | 79.7 | Confident | 134 Ų | 134 | 65.3 Ų | 65.3 | 87% | 0.87 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 138.2 | 173.1 | -21.7 | 31 | 0 | 0 | 0 | 110.8 | ||
| 66 | G | 59.3 | Low | 79.8 | Confident | 88 Ų | 88 | 63.9 Ų | 63.9 | 91% | 0.907 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -9.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 67 | K | 65.1 | Low | 79.9 | Confident | 170 Ų | 170 | 65.4 Ų | 65.4 | 74% | 0.739 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -94.7 | 125.3 | 171.1 | -162.2 | 169.3 | -174.7 | 171.4 | 0 | 110.4 | K64 R69 | K64-K67 PolarHBondContact O-N 2.99Å; K67-R69 PolarHBondContact O-N 3.46Å |
| 68 | P | 65.7 | Low | 80 | Confident | 109 Ų | 109 | 64.1 Ų | 64.1 | 71% | 0.708 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 136.6 | 178.1 | 24.1 | -32.9 | 0 | 0 | 0 | 110.5 | S70 | P68-S70 PolarHBondContact O-N 3.3Š|
| 69 | R | 77.3 | Confident | 80.3 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 46% | 0.464 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 137.1 | 175.7 | -70.2 | -171.2 | 174.9 | 97.8 | 2.6 | 109.4 | K67 I74 | K67-R69 PolarHBondContact O-N 3.46Å; R69-I74 HydrophobicContact CB-CD1 4.43Å; R69-I74 HydrophobicContact CB-CG1 3.95Å |
| 70 | S | 84.1 | Confident | 80.7 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -63 | 149.6 | 170.7 | 80.9 | 0 | 0 | 0 | 0 | 109.5 | P68 T72 N73 I74 | P68-S70 PolarHBondContact O-N 3.3Å; S70-T72 PolarHBondContact O-N 3.39Å; S70-N73 WeakPolarHBondContact O-CB 3.44Å; S70-N73 PolarHBondContact O-N 2.91Å; S70-N73 WeakPolarHBondContact OG-CB 3.37Å; S70-N73 PolarHBondContact OG-N 3.3Å; S70-N73 VanDerWaalsContact OG-N 3.08Å; S70-N73 PolarHBondContact OG-OD1 2.96Å; S70-I74 PolarHBondContact O-N 3.2Å |
| 71 | T | 85.8 | Confident | 81.1 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -52.8 | -38.5 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | I74 F75 D134 R149 A154 | T71-I74 WeakPolarHBondContact O-CB 3.46Å; T71-I74 PolarHBondContact O-N 3.41Å; T71-F75 WeakPolarHBondContact O-CD2 3.45Å; T71-F75 PolarHBondContact O-N 3.34Å; T71-F75 VanDerWaalsContact O-N 3.15Å; T71-D134 WeakPolarHBondContact CB-OD1 3.44Å; T71-D134 PolarHBondContact OG1-OD1 2.99Å; T71-R149 HydrophobicContact CG2-CB 4.02Å; T71-R149 WeakPolarHBondContact CG2-O 3.22Å; T71-R149 PolarHBondContact OG1-NE 3.17Å; T71-R149 PolarHBondContact OG1-NH2 2.92Å; T71-A154 HydrophobicContact CG2-CB 3.84Å |
| 72 | T | 85 | Confident | 81.7 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 10% | 0.104 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 176.2 | -45.7 | 0 | 0 | 0 | 0 | 112.5 | S70 I74 F75 I76 M131 D134 R135 R149 | S70-T72 PolarHBondContact O-N 3.39Å; T72-I74 PolarHBondContact O-N 3.41Å; T72-F75 PolarHBondContact O-N 3.36Å; T72-I76 HydrophobicContact CG2-CD1 3.98Å; T72-I76 HydrophobicContact CG2-CG1 4.47Å; T72-I76 VanDerWaalsContact O-CG1 3.3Å; T72-I76 WeakPolarHBondContact O-CG1 3.16Å; T72-I76 PolarHBondContact O-N 3.25Å; T72-M131 HydrophobicContact CG2-CE 4.49Å; T72-D134 PolarHBondContact OG1-OD2 3.04Å; T72-R135 PolarHBondContact OG1-NH2 3.23Å; T72-R149 PolarHBondContact OG1-NH2 3.47Å |
| 73 | N | 87.9 | Confident | 82.4 | Confident | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 176.6 | -68.5 | 7.8 | 0 | 0 | 0 | 111.2 | L60 S70 L77 | L60-N73 HydrophobicContact CD2-CB 4.03Å; S70-N73 WeakPolarHBondContact O-CB 3.44Å; S70-N73 PolarHBondContact O-N 2.91Å; S70-N73 WeakPolarHBondContact OG-CB 3.37Å; S70-N73 PolarHBondContact OG-N 3.3Å; S70-N73 VanDerWaalsContact OG-N 3.08Å; S70-N73 PolarHBondContact OG-OD1 2.96Å; N73-L77 VanDerWaalsContact O-CB 3.23Å; N73-L77 WeakPolarHBondContact O-CB 3.09Å; N73-L77 PolarHBondContact O-N 2.89Å |
| 74 | I | 91.7 | Very high | 83.5 | Confident | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.138 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 174.1 | -65.3 | 169.1 | 0 | 0 | 0 | 110.3 | R69 S70 T71 T72 L77 N78 A151 A154 V158 | R69-I74 HydrophobicContact CB-CD1 4.43Å; R69-I74 HydrophobicContact CB-CG1 3.95Å; S70-I74 PolarHBondContact O-N 3.2Å; T71-I74 WeakPolarHBondContact O-CB 3.46Å; T71-I74 PolarHBondContact O-N 3.41Å; T72-I74 PolarHBondContact O-N 3.41Å; I74-L77 PolarHBondContact O-N 3.48Å; I74-N78 PolarHBondContact O-N 3.4Å; I74-A151 HydrophobicContact CD1-CB 3.79Å; I74-A154 HydrophobicContact CB-CB 4.4Å; I74-A154 HydrophobicContact CD1-CB 4.02Å; I74-A154 HydrophobicContact CG2-CB 4.29Å; I74-V158 HydrophobicContact CG2-CG2 4.11Å |
| 75 | F | 91.6 | Very high | 85 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 177.8 | -66.9 | -53.8 | 0 | 0 | 0 | 113.1 | T71 T72 L77 N78 L79 T127 A130 M131 D134 A154 V158 | T71-F75 WeakPolarHBondContact O-CD2 3.45Å; T71-F75 PolarHBondContact O-N 3.34Å; T71-F75 VanDerWaalsContact O-N 3.15Å; T72-F75 PolarHBondContact O-N 3.36Å; F75-L77 VanDerWaalsContact C-N 3.34Å; F75-N78 WeakPolarHBondContact O-CB 3.48Å; F75-N78 PolarHBondContact O-N 3.2Å; F75-L79 PolarHBondContact O-N 3.24Å; F75-T127 HydrophobicContact CB-CG2 3.9Å; F75-T127 HydrophobicContact CD1-CG2 4.29Å; F75-T127 HydrophobicContact CG-CG2 4.48Å; F75-T127 WeakPolarHBondContact O-CG2 3.39Å; F75-A130 HydrophobicContact CD1-CB 4.26Å; F75-A130 HydrophobicContact CE1-CB 3.78Å; F75-A130 HydrophobicContact CE2-CB 4.29Å; F75-A130 HydrophobicContact CZ-CB 3.8Å; F75-M131 HydrophobicContact CB-CG 3.53Å; F75-M131 HydrophobicContact CB-SD 4.07Å; F75-M131 HydrophobicContact CD2-CG 4.15Å; F75-M131 HydrophobicContact CG-CG 4.04Å; F75-D134 HydrophobicContact CE2-CB 4.33Å; F75-A154 HydrophobicContact CE2-CB 4.3Å; F75-A154 HydrophobicContact CZ-CB 4.07Å; F75-V158 HydrophobicContact CD1-CG2 3.98Å; F75-V158 HydrophobicContact CE1-CG2 4.02Å |
| 76 | I | 90 | Very high | 86.8 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 175.4 | -66.5 | 170.6 | 0 | 0 | 0 | 110.5 | V56 L60 T72 L79 S80 M131 Y304 F311 | V56-I76 HydrophobicContact CG1-CG2 3.65Å; L60-I76 HydrophobicContact CD1-CB 4.33Å; L60-I76 HydrophobicContact CD1-CG2 3.94Å; T72-I76 HydrophobicContact CG2-CD1 3.98Å; T72-I76 HydrophobicContact CG2-CG1 4.47Å; T72-I76 VanDerWaalsContact O-CG1 3.3Å; T72-I76 WeakPolarHBondContact O-CG1 3.16Å; T72-I76 PolarHBondContact O-N 3.25Å; I76-L79 PolarHBondContact O-N 2.96Å; I76-S80 PolarHBondContact O-N 3.06Å; I76-S80 PolarHBondContact O-OG 3.49Å; I76-M131 HydrophobicContact CD1-CE 4.36Å; I76-M131 HydrophobicContact CG1-CE 3.79Å; I76-M131 HydrophobicContact CG1-SD 4.44Å; I76-Y304 HydrophobicContact CG2-CD2 4.28Å; I76-Y304 HydrophobicContact CG2-CE2 3.86Å; I76-F311 HydrophobicContact CD1-CE2 3.62Å; I76-F311 HydrophobicContact CD1-CZ 3.77Å; I76-F311 HydrophobicContact CG2-CE1 4.48Å; I76-F311 HydrophobicContact CG2-CZ 3.92Å |
| 77 | L | 91.8 | Very high | 88.5 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.6 | -177.3 | 63.7 | 0 | 0 | 0 | 111.5 | I57 L60 N73 I74 F75 L79 S80 I81 | I57-L77 HydrophobicContact CB-CD1 4.46Å; I57-L77 HydrophobicContact CG1-CD1 4.07Å; I57-L77 HydrophobicContact CG2-CD1 4.32Å; L60-L77 HydrophobicContact CB-CD1 4.48Å; L60-L77 HydrophobicContact CD1-CB 3.94Å; L60-L77 HydrophobicContact CD1-CD1 4.37Å; N73-L77 VanDerWaalsContact O-CB 3.23Å; N73-L77 WeakPolarHBondContact O-CB 3.09Å; N73-L77 PolarHBondContact O-N 2.89Å; I74-L77 PolarHBondContact O-N 3.48Å; F75-L77 VanDerWaalsContact C-N 3.34Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L77-L79 PolarHBondContact O-N 3.15Å; L77-S80 PolarHBondContact O-N 2.99Å; L77-I81 HydrophobicContact CD1-CD1 4.01Å; L77-I81 HydrophobicContact CD1-CG1 4.3Å; L77-I81 HydrophobicContact CG-CD1 3.85Å; L77-I81 HydrophobicContact CG-CG1 4.5Å; L77-I81 WeakPolarHBondContact O-CB 3.44Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.32Å; L77-I81 PolarHBondContact O-N 3.19Å |
| 78 | N | 94.2 | Very high | 89.9 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 8% | 0.08 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 175.4 | 179.7 | 65.7 | 0 | 0 | 0 | 111.5 | I74 F75 I81 A82 T127 V158 W162 | I74-N78 PolarHBondContact O-N 3.4Å; F75-N78 WeakPolarHBondContact O-CB 3.48Å; F75-N78 PolarHBondContact O-N 3.2Å; N78-I81 PolarHBondContact O-N 3.48Å; N78-A82 WeakPolarHBondContact O-CB 3.48Å; N78-A82 PolarHBondContact O-N 2.56Å; N78-T127 PolarHBondContact ND2-OG1 2.93Å; N78-V158 HydrophobicContact CB-CG1 4.32Å; N78-V158 HydrophobicContact CB-CG2 4.13Å; N78-V158 VanDerWaalsContact OD1-CG1 3.31Å; N78-V158 WeakPolarHBondContact OD1-CG1 3.35Å; N78-W162 PolarHBondContact OD1-NE1 3.27Å |
| 79 | L | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 179.9 | -169.2 | 64.6 | 0 | 0 | 0 | 111.3 | F75 I76 L77 I81 A82 D83 T127 L128 N300 Y304 | F75-L79 PolarHBondContact O-N 3.24Å; I76-L79 PolarHBondContact O-N 2.96Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L77-L79 PolarHBondContact O-N 3.15Å; L79-I81 VanDerWaalsContact C-N 3.33Å; L79-I81 PolarHBondContact O-N 3.27Å; L79-A82 PolarHBondContact O-N 3.03Å; L79-D83 VanDerWaalsContact O-CB 3.31Å; L79-D83 WeakPolarHBondContact O-CB 3.4Å; L79-D83 VanDerWaalsContact O-CG 3.31Å; L79-D83 PolarHBondContact O-N 3.08Å; L79-T127 HydrophobicContact CB-CG2 4.26Å; L79-L128 HydrophobicContact CD2-CD2 4.4Å; L79-N300 HydrophobicContact CD2-CB 4.36Å; L79-Y304 WeakPolarHBondContact CD2-OH 3.44Å |
| 80 | S | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66 | -32.1 | 179.5 | -68.4 | 0 | 0 | 0 | 0 | 114 | N53 V56 I76 L77 L84 | N53-S80 WeakPolarHBondContact OD1-CA 3.42Å; N53-S80 PolarHBondContact OD1-OG 3.25Å; V56-S80 WeakPolarHBondContact CB-OG 3.35Å; V56-S80 VanDerWaalsContact CG1-OG 3.25Å; V56-S80 WeakPolarHBondContact CG1-OG 3.43Å; I76-S80 PolarHBondContact O-N 3.06Å; I76-S80 PolarHBondContact O-OG 3.49Å; L77-S80 PolarHBondContact O-N 2.99Å; S80-L84 WeakPolarHBondContact O-CB 3.43Å; S80-L84 PolarHBondContact O-N 3.42Å |
| 81 | I | 94.4 | Very high | 92.2 | Very high | 65 Ų | 65 | 26 Ų | 26 | 33% | 0.333 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -67.9 | -51.4 | 172.8 | -70.3 | 169.7 | 0 | 0 | 0 | 109.6 | I57 L77 N78 L79 D83 L84 F85 | I57-I81 HydrophobicContact CD1-CG1 4.11Å; I57-I81 HydrophobicContact CG1-CG1 4.42Å; L77-I81 HydrophobicContact CD1-CD1 4.01Å; L77-I81 HydrophobicContact CD1-CG1 4.3Å; L77-I81 HydrophobicContact CG-CD1 3.85Å; L77-I81 HydrophobicContact CG-CG1 4.5Å; L77-I81 WeakPolarHBondContact O-CB 3.44Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.32Å; L77-I81 PolarHBondContact O-N 3.19Å; N78-I81 PolarHBondContact O-N 3.48Å; L79-I81 VanDerWaalsContact C-N 3.33Å; L79-I81 PolarHBondContact O-N 3.27Å; I81-D83 VanDerWaalsContact C-N 3.34Å; I81-D83 PolarHBondContact O-N 2.9Å; I81-L84 PolarHBondContact O-N 3.26Å; I81-F85 HydrophobicContact CG2-CD2 3.75Å; I81-F85 HydrophobicContact CG2-CE2 3.78Å; I81-F85 WeakPolarHBondContact O-CD2 3.36Å; I81-F85 PolarHBondContact O-N 3.39Å |
| 82 | A | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N78 L79 L84 F85 Y86 V123 W162 | N78-A82 WeakPolarHBondContact O-CB 3.48Å; N78-A82 PolarHBondContact O-N 2.56Å; L79-A82 PolarHBondContact O-N 3.03Å; A82-L84 PolarHBondContact O-N 3.16Å; A82-F85 PolarHBondContact O-N 2.89Å; A82-Y86 WeakPolarHBondContact O-CB 3.13Å; A82-Y86 PolarHBondContact O-N 2.95Å; A82-V123 HydrophobicContact CB-CG1 3.94Å; A82-W162 HydrophobicContact CB-CH2 4.23Å; A82-W162 HydrophobicContact CB-CZ2 3.96Å |
| 83 | D | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.4 | -76.6 | -23.6 | 0 | 0 | 0 | 111.6 | L79 I81 Y86 L87 S297 N300 | L79-D83 VanDerWaalsContact O-CB 3.31Å; L79-D83 WeakPolarHBondContact O-CB 3.4Å; L79-D83 VanDerWaalsContact O-CG 3.31Å; L79-D83 PolarHBondContact O-N 3.08Å; I81-D83 VanDerWaalsContact C-N 3.34Å; I81-D83 PolarHBondContact O-N 2.9Å; D83-Y86 PolarHBondContact O-N 2.84Å; D83-L87 WeakPolarHBondContact O-CB 3.45Å; D83-L87 WeakPolarHBondContact O-CD1 3.36Å; D83-L87 WeakPolarHBondContact O-CG 3.37Å; D83-L87 PolarHBondContact O-N 2.73Å; D83-S297 VanDerWaalsContact OD1-CB 3.26Å; D83-S297 WeakPolarHBondContact OD1-CB 3.42Å; D83-S297 PolarHBondContact OD1-OG 3.42Å; D83-N300 PolarHBondContact OD2-ND2 2.96Å |
| 84 | L | 95 | Very high | 92.7 | Very high | 31 Ų | 31 | 27.9 Ų | 27.9 | 16% | 0.162 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 178.4 | -174.8 | 64.5 | 0 | 0 | 0 | 111.8 | V50 N53 I57 S80 I81 A82 Y86 L87 L88 | V50-L84 HydrophobicContact CB-CD1 4.32Å; V50-L84 HydrophobicContact CG1-CD1 4.12Å; V50-L84 HydrophobicContact CG2-CD1 4.16Å; N53-L84 HydrophobicContact CB-CB 4.38Å; I57-L84 HydrophobicContact CD1-CD2 3.87Å; S80-L84 WeakPolarHBondContact O-CB 3.43Å; S80-L84 PolarHBondContact O-N 3.42Å; I81-L84 PolarHBondContact O-N 3.26Å; A82-L84 PolarHBondContact O-N 3.16Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 3.23Å; L84-L87 PolarHBondContact O-N 2.68Å; L84-L88 HydrophobicContact CD1-CD1 4.08Å; L84-L88 HydrophobicContact CD1-CG 4.2Å; L84-L88 HydrophobicContact CG-CD1 3.93Å; L84-L88 HydrophobicContact CG-CG 4.41Å; L84-L88 WeakPolarHBondContact O-CB 3.32Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 2.83Å |
| 85 | F | 94.6 | Very high | 92.5 | Very high | 104 Ų | 104 | 27.3 Ų | 27.3 | 46% | 0.456 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 174.3 | -89.6 | -86.6 | 0 | 0 | 0 | 111.4 | I81 A82 L88 F89 F116 | I81-F85 HydrophobicContact CG2-CD2 3.75Å; I81-F85 HydrophobicContact CG2-CE2 3.78Å; I81-F85 WeakPolarHBondContact O-CD2 3.36Å; I81-F85 PolarHBondContact O-N 3.39Å; A82-F85 PolarHBondContact O-N 2.89Å; F85-L88 PolarHBondContact O-N 3.45Å; F85-F89 HydrophobicContact CB-CD2 4.49Å; F85-F89 AromaticContact CD1-CD2 3.69Å; F85-F89 HydrophobicContact CD1-CD2 3.69Å; F85-F89 AromaticContact CD1-CE2 3.54Å; F85-F89 HydrophobicContact CD1-CE2 3.54Å; F85-F89 HydrophobicContact CE1-CD2 4.41Å; F85-F89 AromaticContact CE1-CE2 3.83Å; F85-F89 HydrophobicContact CE1-CE2 3.83Å; F85-F89 HydrophobicContact CG-CD2 4.48Å; F85-F89 WeakPolarHBondContact O-CB 3.2Å; F85-F89 WeakPolarHBondContact O-CD2 3.23Å; F85-F89 PolarHBondContact O-N 3.43Å; F85-F116 HydrophobicContact CB-CE1 4.13Å; F85-F116 HydrophobicContact CB-CZ 3.93Å |
| 86 | Y | 94.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 178 | 174.3 | -104.3 | 0 | 0 | 0 | 112.2 | A82 D83 L84 L88 C90 I91 F116 F117 Y294 S297 | A82-Y86 WeakPolarHBondContact O-CB 3.13Å; A82-Y86 PolarHBondContact O-N 2.95Å; D83-Y86 PolarHBondContact O-N 2.84Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 3.23Å; Y86-L88 PolarHBondContact O-N 3.28Å; Y86-C90 HydrophobicContact CD2-CB 3.64Å; Y86-C90 HydrophobicContact CE2-CB 3.6Å; Y86-C90 HydrophobicContact CG-CB 4.47Å; Y86-C90 WeakPolarHBondContact O-CA 3.3Å; Y86-C90 VanDerWaalsContact O-CB 3.24Å; Y86-C90 WeakPolarHBondContact O-CB 3.34Å; Y86-C90 PolarHBondContact O-N 3.1Å; Y86-I91 HydrophobicContact CD1-CG1 4.39Å; Y86-I91 HydrophobicContact CE1-CD1 3.61Å; Y86-I91 HydrophobicContact CE1-CG1 3.89Å; Y86-I91 PolarHBondContact O-N 3.39Å; Y86-I91 WeakPolarHBondContact OH-CD1 3.27Å; Y86-F116 HydrophobicContact CD2-CD1 4.15Å; Y86-F117 HydrophobicContact CE2-CB 4.26Å; Y86-F117 AromaticContact CE2-CD2 3.95Å; Y86-F117 HydrophobicContact CE2-CD2 3.95Å; Y86-F117 WeakPolarHBondContact OH-CD2 3.23Å; Y86-Y294 WeakPolarHBondContact OH-CD1 3.25Å; Y86-S297 WeakPolarHBondContact CD1-OG 3.39Å |
| 87 | L | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 178.3 | -69.8 | 162.4 | 0 | 0 | 0 | 112.3 | I45 F46 G49 V50 D83 L84 I91 P92 | I45-L87 HydrophobicContact CG2-CD2 3.86Å; F46-L87 VanDerWaalsContact CD2-O 3.29Å; F46-L87 WeakPolarHBondContact CD2-O 3.48Å; F46-L87 VanDerWaalsContact CE2-O 3.31Å; F46-L87 WeakPolarHBondContact CE2-O 3.45Å; G49-L87 VanDerWaalsContact CA-CD1 3.46Å; V50-L87 HydrophobicContact CG2-CB 4.08Å; D83-L87 WeakPolarHBondContact O-CB 3.45Å; D83-L87 WeakPolarHBondContact O-CD1 3.36Å; D83-L87 WeakPolarHBondContact O-CG 3.37Å; D83-L87 PolarHBondContact O-N 2.73Å; L84-L87 PolarHBondContact O-N 2.68Å; L87-I91 HydrophobicContact CD2-CG1 4.11Å; L87-P92 WeakPolarHBondContact O-CD 3.49Å |
| 88 | L | 94.3 | Very high | 91.2 | Very high | 72 Ų | 72 | 31.2 Ų | 31.2 | 38% | 0.377 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -76.9 | -40.6 | -178.1 | -68.5 | 175.2 | 0 | 0 | 0 | 112.9 | F46 V50 L84 F85 Y86 | F46-L88 HydrophobicContact CE2-CD2 4.11Å; F46-L88 HydrophobicContact CZ-CD2 4Å; V50-L88 HydrophobicContact CG2-CD2 3.99Å; L84-L88 HydrophobicContact CD1-CD1 4.08Å; L84-L88 HydrophobicContact CD1-CG 4.2Å; L84-L88 HydrophobicContact CG-CD1 3.93Å; L84-L88 HydrophobicContact CG-CG 4.41Å; L84-L88 WeakPolarHBondContact O-CB 3.32Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 2.83Å; F85-L88 PolarHBondContact O-N 3.45Å; Y86-L88 PolarHBondContact O-N 3.28Å |
| 89 | F | 91.4 | Very high | 90.4 | Very high | 98 Ų | 98 | 32.6 Ų | 32.6 | 43% | 0.43 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -108.1 | -9.2 | -168.6 | -62.6 | -71.6 | 0 | 0 | 0 | 114.8 | F85 F93 F112 | F85-F89 HydrophobicContact CB-CD2 4.49Å; F85-F89 AromaticContact CD1-CD2 3.69Å; F85-F89 HydrophobicContact CD1-CD2 3.69Å; F85-F89 AromaticContact CD1-CE2 3.54Å; F85-F89 HydrophobicContact CD1-CE2 3.54Å; F85-F89 HydrophobicContact CE1-CD2 4.41Å; F85-F89 AromaticContact CE1-CE2 3.83Å; F85-F89 HydrophobicContact CE1-CE2 3.83Å; F85-F89 HydrophobicContact CG-CD2 4.48Å; F85-F89 WeakPolarHBondContact O-CB 3.2Å; F85-F89 WeakPolarHBondContact O-CD2 3.23Å; F85-F89 PolarHBondContact O-N 3.43Å; F89-F93 VanDerWaalsContact O-CD2 3.23Å; F89-F93 WeakPolarHBondContact O-CD2 3.23Å; F89-F112 HydrophobicContact CB-CE1 4.09Å |
| 90 | C | 92.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -48.1 | 179 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | Y86 F93 Q94 F116 | Y86-C90 HydrophobicContact CD2-CB 3.64Å; Y86-C90 HydrophobicContact CE2-CB 3.6Å; Y86-C90 HydrophobicContact CG-CB 4.47Å; Y86-C90 WeakPolarHBondContact O-CA 3.3Å; Y86-C90 VanDerWaalsContact O-CB 3.24Å; Y86-C90 WeakPolarHBondContact O-CB 3.34Å; Y86-C90 PolarHBondContact O-N 3.1Å; C90-F93 PolarHBondContact O-N 3.45Å; C90-F93 VanDerWaalsContact O-N 3.15Å; C90-Q94 VanDerWaalsContact O-CB 3.31Å; C90-Q94 WeakPolarHBondContact O-CB 3.27Å; C90-Q94 PolarHBondContact O-N 3.35Å; C90-F116 WeakPolarHBondContact SG-CD1 3.42Å |
| 91 | I | 92.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.8 | -44.7 | -174.3 | -68.1 | -59.8 | 0 | 0 | 0 | 114.1 | F42 F46 Y86 L87 F93 Q94 S95 Y294 | F42-I91 HydrophobicContact CD1-CG2 3.97Å; F46-I91 HydrophobicContact CB-CG2 4.41Å; Y86-I91 HydrophobicContact CD1-CG1 4.39Å; Y86-I91 HydrophobicContact CE1-CD1 3.61Å; Y86-I91 HydrophobicContact CE1-CG1 3.89Å; Y86-I91 PolarHBondContact O-N 3.39Å; Y86-I91 WeakPolarHBondContact OH-CD1 3.27Å; L87-I91 HydrophobicContact CD2-CG1 4.11Å; I91-F93 VanDerWaalsContact C-N 3.3Å; I91-F93 PolarHBondContact O-N 3.28Å; I91-Q94 PolarHBondContact O-N 3.02Å; I91-S95 PolarHBondContact O-N 2.91Å; I91-Y294 HydrophobicContact CD1-CG 4.27Å |
| 92 | P | 91.7 | Very high | 88.6 | Confident | 50 Ų | 50 | 39.1 Ų | 39.1 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.8 | -34.1 | 179.1 | -24.9 | 35.4 | 0 | 0 | 0 | 113.8 | F46 L87 S95 T96 | F46-P92 HydrophobicContact CD2-CG 4.29Å; F46-P92 HydrophobicContact CE2-CG 4.06Å; L87-P92 WeakPolarHBondContact O-CD 3.49Å; P92-S95 PolarHBondContact O-OG 3.19Å; P92-T96 WeakPolarHBondContact O-CG2 3.35Å |
| 93 | F | 91.2 | Very high | 88.2 | Confident | 55 Ų | 55 | 39.6 Ų | 39.6 | 24% | 0.241 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -84.6 | -26.8 | 178 | -61.5 | -78.5 | 0 | 0 | 0 | 112.3 | F89 C90 I91 T96 W103 F105 I109 I113 | F89-F93 VanDerWaalsContact O-CD2 3.23Å; F89-F93 WeakPolarHBondContact O-CD2 3.23Å; C90-F93 PolarHBondContact O-N 3.45Å; C90-F93 VanDerWaalsContact O-N 3.15Å; I91-F93 VanDerWaalsContact C-N 3.3Å; I91-F93 PolarHBondContact O-N 3.28Å; F93-T96 PolarHBondContact O-OG1 2.84Å; F93-W103 HydrophobicContact CB-CH2 4.47Å; F93-F105 AromaticContact CD1-CD1 3.98Å; F93-F105 HydrophobicContact CD1-CD1 3.98Å; F93-F105 HydrophobicContact CD1-CD2 4.05Å; F93-F105 HydrophobicContact CD1-CE1 4.08Å; F93-F105 HydrophobicContact CD1-CE2 4.14Å; F93-F105 AromaticContact CD1-CG 3.96Å; F93-F105 HydrophobicContact CD1-CG 3.96Å; F93-F105 HydrophobicContact CD1-CZ 4.16Å; F93-F105 AromaticContact CE1-CD1 3.9Å; F93-F105 HydrophobicContact CE1-CD1 3.9Å; F93-F105 HydrophobicContact CE1-CE1 4.04Å; F93-F105 HydrophobicContact CE1-CG 4.28Å; F93-I109 HydrophobicContact CB-CG2 4.19Å; F93-I109 HydrophobicContact CD1-CG2 3.76Å; F93-I109 HydrophobicContact CE1-CG2 4.23Å; F93-I109 HydrophobicContact CG-CG2 3.91Å; F93-I113 HydrophobicContact CB-CG2 3.83Å; F93-I113 HydrophobicContact CG-CG2 4.45Å |
| 94 | Q | 87.2 | Confident | 88 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.2 | -35.7 | 176.5 | -165.8 | 66.6 | 46.4 | 0 | 0 | 110.8 | C90 I91 T96 I97 Y98 Y294 | C90-Q94 VanDerWaalsContact O-CB 3.31Å; C90-Q94 WeakPolarHBondContact O-CB 3.27Å; C90-Q94 PolarHBondContact O-N 3.35Å; I91-Q94 PolarHBondContact O-N 3.02Å; Q94-T96 PolarHBondContact O-N 3.17Å; Q94-I97 VanDerWaalsContact NE2-CD1 3.25Å; Q94-I97 WeakPolarHBondContact O-CB 3.46Å; Q94-I97 PolarHBondContact O-N 2.88Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.3Å; Q94-Y294 VanDerWaalsContact CD-OH 3.31Å; Q94-Y294 HydrophobicContact CG-CE1 3.95Å; Q94-Y294 HydrophobicContact CG-CE2 3.82Å; Q94-Y294 VanDerWaalsContact CG-CZ 3.42Å; Q94-Y294 WeakPolarHBondContact CG-OH 3.32Å; Q94-Y294 PolarHBondContact NE2-OH 3.1Å; Q94-Y294 VanDerWaalsContact NE2-OH 3.08Å |
| 95 | S | 87.1 | Confident | 87.8 | Confident | 15 Ų | 15 | 46 Ų | 46 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -32.8 | 177.8 | 68.7 | 0 | 0 | 0 | 0 | 112 | I91 P92 I97 Y98 | I91-S95 PolarHBondContact O-N 2.91Å; P92-S95 PolarHBondContact O-OG 3.19Å; S95-I97 PolarHBondContact O-N 2.71Å; S95-Y98 PolarHBondContact O-N 2.86Å |
| 96 | T | 85.7 | Confident | 87.7 | Confident | 25 Ų | 25 | 42.4 Ų | 42.4 | 15% | 0.153 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -66.5 | -23.5 | 179.1 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | P92 F93 Q94 Y98 V99 M100 F105 | P92-T96 WeakPolarHBondContact O-CG2 3.35Å; F93-T96 PolarHBondContact O-OG1 2.84Å; Q94-T96 PolarHBondContact O-N 3.17Å; T96-Y98 PolarHBondContact O-N 3.46Å; T96-V99 PolarHBondContact O-N 3.23Å; T96-M100 HydrophobicContact CG2-CE 4.14Å; T96-M100 WeakPolarHBondContact O-CB 3.15Å; T96-M100 PolarHBondContact O-N 2.95Å; T96-F105 HydrophobicContact CG2-CE2 3.93Å; T96-F105 HydrophobicContact CG2-CZ 4.06Å; T96-F105 WeakPolarHBondContact OG1-CE2 3.31Å |
| 97 | I | 82 | Confident | 87.6 | Confident | 65 Ų | 65 | 44 Ų | 44 | 33% | 0.333 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -64.2 | -23.7 | 174 | -67.6 | 166.6 | 0 | 0 | 0 | 111.4 | Q94 S95 W103 I113 | Q94-I97 VanDerWaalsContact NE2-CD1 3.25Å; Q94-I97 WeakPolarHBondContact O-CB 3.46Å; Q94-I97 PolarHBondContact O-N 2.88Å; S95-I97 PolarHBondContact O-N 2.71Å; I97-W103 HydrophobicContact CD1-CE3 4.35Å; I97-W103 HydrophobicContact CD1-CZ3 3.89Å; I97-W103 HydrophobicContact CG1-CE3 3.94Å; I97-W103 HydrophobicContact CG1-CZ3 3.72Å; I97-I113 HydrophobicContact CD1-CD1 3.72Å |
| 98 | Y | 76.9 | Confident | 87.7 | Confident | 47 Ų | 47 | 51 Ų | 51 | 18% | 0.184 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -95.6 | -6.2 | 179.1 | -61.4 | -84.4 | 0 | 0 | 0 | 113.5 | N35 F42 Q94 S95 T96 V287 H290 Y294 | N35-Y98 PolarHBondContact OD1-O 3.09Å; F42-Y98 AromaticContact CE2-CD2 3.52Å; F42-Y98 HydrophobicContact CE2-CD2 3.52Å; F42-Y98 AromaticContact CE2-CE2 3.94Å; F42-Y98 HydrophobicContact CE2-CE2 3.94Å; F42-Y98 HydrophobicContact CE2-CG 4.15Å; F42-Y98 AromaticContact CZ-CD2 3.67Å; F42-Y98 HydrophobicContact CZ-CD2 3.67Å; F42-Y98 AromaticContact CZ-CE2 3.59Å; F42-Y98 HydrophobicContact CZ-CE2 3.59Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.3Å; S95-Y98 PolarHBondContact O-N 2.86Å; T96-Y98 PolarHBondContact O-N 3.46Å; Y98-V287 HydrophobicContact CD1-CG1 4.37Å; Y98-V287 HydrophobicContact CE1-CG1 4.19Å; Y98-V287 HydrophobicContact CE1-CG2 4.28Å; Y98-H290 VanDerWaalsContact OH-CB 3.3Å; Y98-H290 WeakPolarHBondContact OH-CB 3.23Å; Y98-Y294 AromaticContact CE2-CE2 3.91Å; Y98-Y294 HydrophobicContact CE2-CE2 3.91Å; Y98-Y294 WeakPolarHBondContact OH-CE2 3.45Å; Y98-Y294 PolarHBondContact OH-OH 3.48Å |
| 99 | V | 79.1 | Confident | 87.7 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 26% | 0.261 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | -34.7 | -172.8 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | L39 T96 | L39-V99 HydrophobicContact CD1-CG1 4.24Å; L39-V99 HydrophobicContact CD1-CG2 4.02Å; L39-V99 HydrophobicContact CD2-CG2 3.67Å; L39-V99 HydrophobicContact CG-CG2 3.58Å; T96-V99 PolarHBondContact O-N 3.23Å |
| 100 | M | 80 | Confident | 87.8 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 31% | 0.31 | 24% | 0.243 | S | C | . | . | trans | -99.6 | 138 | 178.9 | -54.4 | -164.7 | -54.5 | 0 | 0 | 109.8 | T96 T102 V104 F105 | T96-M100 HydrophobicContact CG2-CE 4.14Å; T96-M100 WeakPolarHBondContact O-CB 3.15Å; T96-M100 PolarHBondContact O-N 2.95Å; M100-T102 PolarHBondContact O-N 3.44Å; M100-V104 HydrophobicContact CE-CG2 3.77Å; M100-V104 HydrophobicContact SD-CG2 4.44Å; M100-F105 HydrophobicContact CE-CD2 4.43Å; M100-F105 HydrophobicContact CE-CE2 3.64Å; M100-F105 HydrophobicContact CE-CZ 4.18Å | ||
| 101 | N | 77.3 | Confident | 87.9 | Confident | 93 Ų | 93 | 46.8 Ų | 46.8 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -76.8 | -14.6 | 174.1 | -62.1 | -38.7 | 0 | 0 | 0 | 112.3 | ||
| 102 | T | 83.1 | Confident | 88.1 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -132.2 | 149.7 | -177.6 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | M100 E185 | M100-T102 PolarHBondContact O-N 3.44Å; T102-E185 HydrophobicContact CG2-CB 3.75Å; T102-E185 HydrophobicContact CG2-CG 3.67Å |
| 103 | W | 87.7 | Confident | 88.2 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | trans | -93.8 | 106.3 | -179.7 | -180 | -91 | 0 | 0 | 0 | 112.2 | F93 I97 F105 G106 I109 C110 I113 L178 T186 C188 | F93-W103 HydrophobicContact CB-CH2 4.47Å; I97-W103 HydrophobicContact CD1-CE3 4.35Å; I97-W103 HydrophobicContact CD1-CZ3 3.89Å; I97-W103 HydrophobicContact CG1-CE3 3.94Å; I97-W103 HydrophobicContact CG1-CZ3 3.72Å; W103-F105 HydrophobicContact CE3-CD2 4.38Å; W103-F105 HydrophobicContact CH2-CB 4.26Å; W103-F105 AromaticContact CH2-CD2 3.76Å; W103-F105 HydrophobicContact CH2-CD2 3.76Å; W103-F105 HydrophobicContact CH2-CG 4.45Å; W103-F105 HydrophobicContact CZ2-CB 3.68Å; W103-F105 AromaticContact CZ2-CD2 3.98Å; W103-F105 HydrophobicContact CZ2-CD2 3.98Å; W103-F105 HydrophobicContact CZ2-CG 4.31Å; W103-F105 AromaticContact CZ3-CD2 3.99Å; W103-F105 HydrophobicContact CZ3-CD2 3.99Å; W103-G106 PolarHBondContact NE1-O 3.28Å; W103-I109 HydrophobicContact CH2-CG2 3.89Å; W103-I109 HydrophobicContact CZ2-CB 3.92Å; W103-I109 HydrophobicContact CZ2-CG2 3.67Å; W103-C110 HydrophobicContact CZ2-CB 4.02Å; W103-C110 VanDerWaalsContact CZ2-N 3.34Å; W103-I113 HydrophobicContact CH2-CD1 3.43Å; W103-I113 VanDerWaalsContact CH2-CD1 3.43Å; W103-I113 HydrophobicContact CH2-CG1 4.48Å; W103-I113 HydrophobicContact CZ2-CD1 4.29Å; W103-I113 HydrophobicContact CZ3-CD1 3.81Å; W103-L178 HydrophobicContact CB-CD1 4.44Å; W103-L178 HydrophobicContact CG-CD1 4.21Å; W103-T186 WeakPolarHBondContact CB-O 3.49Å; W103-T186 PolarHBondContact N-O 3.45Å; W103-T186 WeakPolarHBondContact O-CB 3.31Å; W103-T186 PolarHBondContact O-OG1 2.89Å; W103-C188 HydrophobicContact CB-CB 4.39Å; W103-C188 HydrophobicContact CD2-CB 3.92Å; W103-C188 HydrophobicContact CE3-CB 4.3Å; W103-C188 HydrophobicContact CG-CB 3.94Å | ||
| 104 | V | 90.3 | Very high | 88.3 | Confident | 89 Ų | 89 | 45.1 Ų | 45.1 | 54% | 0.539 | 24% | 0.24 | S | C | . | . | trans | -99.8 | -8.1 | -171.8 | -54.3 | 0 | 0 | 0 | 0 | 115.3 | M100 G106 | M100-V104 HydrophobicContact CE-CG2 3.77Å; M100-V104 HydrophobicContact SD-CG2 4.44Å; V104-G106 VanDerWaalsContact C-N 3.31Å; V104-G106 PolarHBondContact O-N 2.84Å | ||
| 105 | F | 91.3 | Very high | 88.6 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -89.1 | 9.3 | -171.7 | -55.8 | -73.8 | 0 | 0 | 0 | 114.8 | F93 T96 M100 W103 I109 | F93-F105 AromaticContact CD1-CD1 3.98Å; F93-F105 HydrophobicContact CD1-CD1 3.98Å; F93-F105 HydrophobicContact CD1-CD2 4.05Å; F93-F105 HydrophobicContact CD1-CE1 4.08Å; F93-F105 HydrophobicContact CD1-CE2 4.14Å; F93-F105 AromaticContact CD1-CG 3.96Å; F93-F105 HydrophobicContact CD1-CG 3.96Å; F93-F105 HydrophobicContact CD1-CZ 4.16Å; F93-F105 AromaticContact CE1-CD1 3.9Å; F93-F105 HydrophobicContact CE1-CD1 3.9Å; F93-F105 HydrophobicContact CE1-CE1 4.04Å; F93-F105 HydrophobicContact CE1-CG 4.28Å; T96-F105 HydrophobicContact CG2-CE2 3.93Å; T96-F105 HydrophobicContact CG2-CZ 4.06Å; T96-F105 WeakPolarHBondContact OG1-CE2 3.31Å; M100-F105 HydrophobicContact CE-CD2 4.43Å; M100-F105 HydrophobicContact CE-CE2 3.64Å; M100-F105 HydrophobicContact CE-CZ 4.18Å; W103-F105 HydrophobicContact CE3-CD2 4.38Å; W103-F105 HydrophobicContact CH2-CB 4.26Å; W103-F105 AromaticContact CH2-CD2 3.76Å; W103-F105 HydrophobicContact CH2-CD2 3.76Å; W103-F105 HydrophobicContact CH2-CG 4.45Å; W103-F105 HydrophobicContact CZ2-CB 3.68Å; W103-F105 AromaticContact CZ2-CD2 3.98Å; W103-F105 HydrophobicContact CZ2-CD2 3.98Å; W103-F105 HydrophobicContact CZ2-CG 4.31Å; W103-F105 AromaticContact CZ3-CD2 3.99Å; W103-F105 HydrophobicContact CZ3-CD2 3.99Å; F105-I109 HydrophobicContact CB-CB 3.81Å; F105-I109 HydrophobicContact CB-CG1 4.1Å; F105-I109 HydrophobicContact CB-CG2 3.92Å; F105-I109 WeakPolarHBondContact O-CG1 3.44Å |
| 106 | G | 92.2 | Very high | 89 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | 73.1 | 177.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | W103 V104 F108 C110 | W103-G106 PolarHBondContact NE1-O 3.28Å; V104-G106 VanDerWaalsContact C-N 3.31Å; V104-G106 PolarHBondContact O-N 2.84Å; G106-F108 PolarHBondContact O-N 3.43Å; G106-C110 PolarHBondContact O-N 3.28Å |
| 107 | A | 92.8 | Very high | 89.4 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.5 | -32.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K111 L178 | A107-K111 WeakPolarHBondContact O-CG 3.46Å; A107-K111 PolarHBondContact O-N 3.37Å; A107-K111 VanDerWaalsContact O-N 3.07Å; A107-L178 HydrophobicContact CB-CB 3.94Å; A107-L178 HydrophobicContact CB-CD2 4.43Å |
| 108 | F | 95.1 | Very high | 90 | Very high | 147 Ų | 147 | 43.3 Ų | 43.3 | 65% | 0.645 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.2 | -52.2 | -179.6 | 175.8 | -98.7 | 0 | 0 | 0 | 111.4 | G106 C110 K111 F112 | G106-F108 PolarHBondContact O-N 3.43Å; F108-C110 VanDerWaalsContact C-N 3.32Å; F108-C110 PolarHBondContact O-N 2.97Å; F108-K111 PolarHBondContact O-N 3.15Å; F108-F112 HydrophobicContact CE1-CB 4.41Å; F108-F112 VanDerWaalsContact O-CB 3.26Å; F108-F112 WeakPolarHBondContact O-CB 3.41Å; F108-F112 PolarHBondContact O-N 3.24Å |
| 109 | I | 94.8 | Very high | 90.9 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 18% | 0.179 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | -179.3 | -58.3 | -64.2 | 0 | 0 | 0 | 110.3 | F93 W103 F105 K111 F112 I113 | F93-I109 HydrophobicContact CB-CG2 4.19Å; F93-I109 HydrophobicContact CD1-CG2 3.76Å; F93-I109 HydrophobicContact CE1-CG2 4.23Å; F93-I109 HydrophobicContact CG-CG2 3.91Å; W103-I109 HydrophobicContact CH2-CG2 3.89Å; W103-I109 HydrophobicContact CZ2-CB 3.92Å; W103-I109 HydrophobicContact CZ2-CG2 3.67Å; F105-I109 HydrophobicContact CB-CB 3.81Å; F105-I109 HydrophobicContact CB-CG1 4.1Å; F105-I109 HydrophobicContact CB-CG2 3.92Å; F105-I109 WeakPolarHBondContact O-CG1 3.44Å; I109-K111 PolarHBondContact O-N 3.5Å; I109-F112 PolarHBondContact O-N 3.33Å; I109-I113 HydrophobicContact CG2-CG2 3.89Å; I109-I113 WeakPolarHBondContact O-CG1 3.5Å; I109-I113 WeakPolarHBondContact O-CG2 3.34Å; I109-I113 PolarHBondContact O-N 3.03Å |
| 110 | C | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.2 | -52.7 | 174.6 | 166.3 | 0 | 0 | 0 | 0 | 111.5 | W103 G106 F108 H114 C188 | W103-C110 HydrophobicContact CZ2-CB 4.02Å; W103-C110 VanDerWaalsContact CZ2-N 3.34Å; G106-C110 PolarHBondContact O-N 3.28Å; F108-C110 VanDerWaalsContact C-N 3.32Å; F108-C110 PolarHBondContact O-N 2.97Å; C110-H114 PolarHBondContact O-CD2 3.02Å; C110-C188 WeakPolarHBondContact CA-SG 3.26Å; C110-C188 HydrophobicContact CB-CB 3.8Å; C110-C188 WeakPolarHBondContact CB-SG 3.33Å; C110-C188 VanDerWaalsContact SG-CA 3.53Å; C110-C188 WeakPolarHBondContact SG-CB 3.31Å; C110-C188 CovalentContact SG-SG 2.02Å; C110-C188 PolarHBondContact SG-SG 3.43Å |
| 111 | K | 95.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 36.5 Ų | 36.5 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 177.3 | -71 | 173.2 | -178.6 | -76.9 | 0 | 112 | A107 F108 I109 Y115 M173 H174 Y176 N177 | A107-K111 WeakPolarHBondContact O-CG 3.46Å; A107-K111 PolarHBondContact O-N 3.37Å; A107-K111 VanDerWaalsContact O-N 3.07Å; F108-K111 PolarHBondContact O-N 3.15Å; I109-K111 PolarHBondContact O-N 3.5Å; K111-Y115 WeakPolarHBondContact O-CB 3.25Å; K111-Y115 PolarHBondContact O-N 2.97Å; K111-M173 HydrophobicContact CB-CG 4.3Å; K111-M173 WeakPolarHBondContact CD-O 3.11Å; K111-M173 WeakPolarHBondContact CG-O 3.31Å; K111-M173 PolarHBondContact NZ-O 2.94Å; K111-H174 PolarHBondContact NZ-O 3.31Å; K111-Y176 VanDerWaalsContact CE-O 3.31Å; K111-Y176 WeakPolarHBondContact CE-O 3.3Å; K111-Y176 VanDerWaalsContact CG-O 3.25Å; K111-Y176 WeakPolarHBondContact CG-O 3.36Å; K111-Y176 PolarHBondContact NZ-O 2.97Å; K111-N177 VanDerWaalsContact CE-OD1 3.32Å; K111-N177 WeakPolarHBondContact CE-OD1 3.27Å; K111-N177 PolarHBondContact NZ-OD1 3.49Å |
| 112 | F | 95.2 | Very high | 93.2 | Very high | 51 Ų | 51 | 32.1 Ų | 32.1 | 22% | 0.224 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | -173.8 | 176.6 | -99.2 | 0 | 0 | 0 | 112.6 | F89 F108 I109 H114 Y115 F116 | F89-F112 HydrophobicContact CB-CE1 4.09Å; F108-F112 HydrophobicContact CE1-CB 4.41Å; F108-F112 VanDerWaalsContact O-CB 3.26Å; F108-F112 WeakPolarHBondContact O-CB 3.41Å; F108-F112 PolarHBondContact O-N 3.24Å; I109-F112 PolarHBondContact O-N 3.33Å; F112-H114 PolarHBondContact O-N 3.35Å; F112-Y115 PolarHBondContact O-N 3.23Å; F112-F116 HydrophobicContact CE1-CB 4.5Å; F112-F116 HydrophobicContact CE2-CB 4.48Å; F112-F116 HydrophobicContact CE2-CD2 4.4Å; F112-F116 HydrophobicContact CZ-CB 4.31Å; F112-F116 HydrophobicContact CZ-CD2 4.32Å; F112-F116 HydrophobicContact CZ-CG 4.26Å; F112-F116 VanDerWaalsContact O-CB 3.26Å; F112-F116 WeakPolarHBondContact O-CB 3.47Å; F112-F116 PolarHBondContact O-N 3.41Å |
| 113 | I | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | -176.1 | 65.1 | 176 | 0 | 0 | 0 | 111.8 | F93 I97 W103 I109 F117 | F93-I113 HydrophobicContact CB-CG2 3.83Å; F93-I113 HydrophobicContact CG-CG2 4.45Å; I97-I113 HydrophobicContact CD1-CD1 3.72Å; W103-I113 HydrophobicContact CH2-CD1 3.43Å; W103-I113 VanDerWaalsContact CH2-CD1 3.43Å; W103-I113 HydrophobicContact CH2-CG1 4.48Å; W103-I113 HydrophobicContact CZ2-CD1 4.29Å; W103-I113 HydrophobicContact CZ3-CD1 3.81Å; I109-I113 HydrophobicContact CG2-CG2 3.89Å; I109-I113 WeakPolarHBondContact O-CG1 3.5Å; I109-I113 WeakPolarHBondContact O-CG2 3.34Å; I109-I113 PolarHBondContact O-N 3.03Å; I113-F117 VanDerWaalsContact O-CB 3.24Å; I113-F117 WeakPolarHBondContact O-CB 3.33Å; I113-F117 PolarHBondContact O-N 2.92Å |
| 114 | H | 92.9 | Very high | 94.1 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 10% | 0.097 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.2 | -36.1 | 179.9 | -72 | -66.1 | 0 | 0 | 0 | 111.9 | C110 F112 T118 R172 Y176 C188 | C110-H114 PolarHBondContact O-CD2 3.02Å; F112-H114 PolarHBondContact O-N 3.35Å; H114-T118 PolarHBondContact O-N 2.87Å; H114-T118 PolarHBondContact O-OG1 3.39Å; H114-R172 HydrophobicContact CB-CG 4.16Å; H114-Y176 HydrophobicContact CB-CD1 4.13Å; H114-Y176 HydrophobicContact CB-CD2 3.98Å; H114-Y176 HydrophobicContact CB-CE1 4.12Å; H114-Y176 HydrophobicContact CB-CE2 3.95Å; H114-Y176 HydrophobicContact CB-CG 4.04Å; H114-Y176 AromaticContact CD2-CD1 3.25Å; H114-Y176 WeakPolarHBondContact CD2-CD1 3.49Å; H114-Y176 AromaticContact CD2-CE1 3.16Å; H114-Y176 WeakPolarHBondContact CD2-CE1 3.16Å; H114-Y176 AromaticContact CD2-CZ 3.86Å; H114-Y176 AromaticContact CE1-CE1 3.69Å; H114-Y176 AromaticContact CG-CD1 3.73Å; H114-Y176 AromaticContact CG-CE1 3.43Å; H114-Y176 VanDerWaalsContact CG-CE1 3.43Å; H114-Y176 AromaticContact CG-CZ 3.61Å; H114-Y176 AromaticContact ND1-CE1 3.75Å; H114-Y176 AromaticContact ND1-CZ 3.73Å; H114-Y176 AromaticContact NE2-CD1 3.84Å; H114-Y176 AromaticContact NE2-CE1 3.36Å; H114-Y176 WeakPolarHBondContact NE2-CE1 3.26Å; H114-C188 VanDerWaalsContact CD2-SG 3.55Å |
| 115 | Y | 95.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 13% | 0.125 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -53.5 | 171.4 | 174.5 | -111.3 | 0 | 0 | 0 | 111.2 | K111 F112 F117 T118 V119 L166 A169 M173 | K111-Y115 WeakPolarHBondContact O-CB 3.25Å; K111-Y115 PolarHBondContact O-N 2.97Å; F112-Y115 PolarHBondContact O-N 3.23Å; Y115-F117 VanDerWaalsContact C-N 3.32Å; Y115-F117 PolarHBondContact O-N 3.37Å; Y115-T118 PolarHBondContact O-N 3.33Å; Y115-T118 VanDerWaalsContact O-N 3.14Å; Y115-V119 HydrophobicContact CD1-CG2 4.18Å; Y115-V119 HydrophobicContact CD2-CG2 4.29Å; Y115-V119 HydrophobicContact CE1-CG2 3.8Å; Y115-V119 HydrophobicContact CE2-CG2 3.91Å; Y115-V119 HydrophobicContact CG-CG2 4.43Å; Y115-V119 WeakPolarHBondContact O-CG2 3.44Å; Y115-V119 PolarHBondContact O-N 3.39Å; Y115-L166 HydrophobicContact CE1-CD2 4.12Å; Y115-L166 WeakPolarHBondContact OH-CA 3.46Å; Y115-L166 WeakPolarHBondContact OH-CB 3.03Å; Y115-L166 WeakPolarHBondContact OH-CD2 3.18Å; Y115-L166 PolarHBondContact OH-O 3.39Å; Y115-A169 HydrophobicContact CD2-CB 3.74Å; Y115-A169 VanDerWaalsContact CD2-O 3.3Å; Y115-A169 WeakPolarHBondContact CD2-O 3.23Å; Y115-A169 VanDerWaalsContact CE2-C 3.5Å; Y115-A169 HydrophobicContact CE2-CB 3.53Å; Y115-M173 HydrophobicContact CD1-CE 3.81Å; Y115-M173 HydrophobicContact CD2-CB 3.75Å; Y115-M173 HydrophobicContact CE1-CE 4.23Å; Y115-M173 HydrophobicContact CE2-CB 4.46Å; Y115-M173 HydrophobicContact CG-CB 4Å; Y115-M173 HydrophobicContact CG-CE 4.06Å |
| 116 | F | 94.8 | Very high | 94.5 | Very high | 24 Ų | 24 | 23 Ų | 23 | 11% | 0.105 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71 | -28.3 | -174.4 | -160.2 | -97.6 | 0 | 0 | 0 | 112.6 | F85 Y86 C90 F112 V119 S120 | F85-F116 HydrophobicContact CB-CE1 4.13Å; F85-F116 HydrophobicContact CB-CZ 3.93Å; Y86-F116 HydrophobicContact CD2-CD1 4.15Å; C90-F116 WeakPolarHBondContact SG-CD1 3.42Å; F112-F116 HydrophobicContact CE1-CB 4.5Å; F112-F116 HydrophobicContact CE2-CB 4.48Å; F112-F116 HydrophobicContact CE2-CD2 4.4Å; F112-F116 HydrophobicContact CZ-CB 4.31Å; F112-F116 HydrophobicContact CZ-CD2 4.32Å; F112-F116 HydrophobicContact CZ-CG 4.26Å; F112-F116 VanDerWaalsContact O-CB 3.26Å; F112-F116 WeakPolarHBondContact O-CB 3.47Å; F112-F116 PolarHBondContact O-N 3.41Å; F116-V119 PolarHBondContact O-N 3.13Å; F116-S120 VanDerWaalsContact O-CB 3.23Å; F116-S120 WeakPolarHBondContact O-CB 3.34Å; F116-S120 PolarHBondContact O-N 2.95Å |
| 117 | F | 93.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.035 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.4 | -49.7 | 167.4 | 173 | -105.2 | 0 | 0 | 0 | 111.6 | Y86 I113 Y115 S120 M121 W261 H264 A293 Y294 | Y86-F117 HydrophobicContact CE2-CB 4.26Å; Y86-F117 AromaticContact CE2-CD2 3.95Å; Y86-F117 HydrophobicContact CE2-CD2 3.95Å; Y86-F117 WeakPolarHBondContact OH-CD2 3.23Å; I113-F117 VanDerWaalsContact O-CB 3.24Å; I113-F117 WeakPolarHBondContact O-CB 3.33Å; I113-F117 PolarHBondContact O-N 2.92Å; Y115-F117 VanDerWaalsContact C-N 3.32Å; Y115-F117 PolarHBondContact O-N 3.37Å; F117-S120 PolarHBondContact O-N 3.14Å; F117-M121 PolarHBondContact O-N 3Å; F117-W261 HydrophobicContact CD2-CH2 4.2Å; F117-W261 HydrophobicContact CE1-CH2 4.18Å; F117-W261 AromaticContact CE1-CZ3 3.91Å; F117-W261 HydrophobicContact CE1-CZ3 3.91Å; F117-W261 AromaticContact CE2-CH2 3.42Å; F117-W261 HydrophobicContact CE2-CH2 3.42Å; F117-W261 VanDerWaalsContact CE2-CH2 3.42Å; F117-W261 HydrophobicContact CE2-CZ2 4.46Å; F117-W261 AromaticContact CE2-CZ3 3.84Å; F117-W261 HydrophobicContact CE2-CZ3 3.84Å; F117-W261 AromaticContact CZ-CH2 3.44Å; F117-W261 HydrophobicContact CZ-CH2 3.44Å; F117-W261 VanDerWaalsContact CZ-CH2 3.44Å; F117-W261 AromaticContact CZ-CZ3 3.32Å; F117-W261 HydrophobicContact CZ-CZ3 3.32Å; F117-H264 AromaticContact CE1-CE1 3.92Å; F117-H264 AromaticContact CE1-NE2 3.64Å; F117-H264 AromaticContact CZ-NE2 3.95Å; F117-A293 HydrophobicContact CZ-CB 4.4Å; F117-Y294 AromaticContact CD2-CD1 3.92Å; F117-Y294 HydrophobicContact CD2-CD1 3.92Å; F117-Y294 AromaticContact CD2-CE1 3.6Å; F117-Y294 HydrophobicContact CD2-CE1 3.6Å; F117-Y294 AromaticContact CE2-CD1 3.48Å; F117-Y294 HydrophobicContact CE2-CD1 3.48Å; F117-Y294 VanDerWaalsContact CE2-CD1 3.48Å; F117-Y294 AromaticContact CE2-CE1 3.29Å; F117-Y294 HydrophobicContact CE2-CE1 3.29Å; F117-Y294 HydrophobicContact CZ-CD1 4.42Å; F117-Y294 AromaticContact CZ-CE1 3.99Å; F117-Y294 HydrophobicContact CZ-CE1 3.99Å |
| 118 | T | 94.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 4% | 0.043 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.7 | -39.5 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | H114 Y115 S120 M121 L122 A169 R172 | H114-T118 PolarHBondContact O-N 2.87Å; H114-T118 PolarHBondContact O-OG1 3.39Å; Y115-T118 PolarHBondContact O-N 3.33Å; Y115-T118 VanDerWaalsContact O-N 3.14Å; T118-S120 PolarHBondContact O-N 3.03Å; T118-M121 HydrophobicContact CG2-CE 4.44Å; T118-M121 WeakPolarHBondContact O-CB 3.3Å; T118-M121 PolarHBondContact O-N 2.85Å; T118-L122 HydrophobicContact CG2-CD1 4.1Å; T118-L122 HydrophobicContact CG2-CG 4.47Å; T118-L122 WeakPolarHBondContact O-CG 3.36Å; T118-L122 PolarHBondContact O-N 3.4Å; T118-A169 HydrophobicContact CG2-CB 3.86Å; T118-R172 WeakPolarHBondContact OG1-CD 3.32Å |
| 119 | V | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 174.1 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | Y115 F116 M121 L122 V123 W162 L166 A169 | Y115-V119 HydrophobicContact CD1-CG2 4.18Å; Y115-V119 HydrophobicContact CD2-CG2 4.29Å; Y115-V119 HydrophobicContact CE1-CG2 3.8Å; Y115-V119 HydrophobicContact CE2-CG2 3.91Å; Y115-V119 HydrophobicContact CG-CG2 4.43Å; Y115-V119 WeakPolarHBondContact O-CG2 3.44Å; Y115-V119 PolarHBondContact O-N 3.39Å; F116-V119 PolarHBondContact O-N 3.13Å; V119-M121 VanDerWaalsContact C-N 3.35Å; V119-M121 PolarHBondContact O-N 3.04Å; V119-L122 PolarHBondContact O-N 2.91Å; V119-V123 HydrophobicContact CG1-CG2 4.02Å; V119-V123 WeakPolarHBondContact O-CB 3.23Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.34Å; V119-V123 PolarHBondContact O-N 3.28Å; V119-W162 HydrophobicContact CG1-CE3 4.44Å; V119-W162 HydrophobicContact CG1-CZ3 4.13Å; V119-L166 HydrophobicContact CG1-CD2 3.97Å; V119-L166 HydrophobicContact CG1-CG 4.49Å; V119-L166 HydrophobicContact CG2-CD2 4.04Å; V119-A169 HydrophobicContact CG2-CB 3.48Å; V119-A169 VanDerWaalsContact CG2-CB 3.48Å |
| 120 | S | 94.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 4% | 0.035 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | F116 F117 T118 S124 | F116-S120 VanDerWaalsContact O-CB 3.23Å; F116-S120 WeakPolarHBondContact O-CB 3.34Å; F116-S120 PolarHBondContact O-N 2.95Å; F117-S120 PolarHBondContact O-N 3.14Å; T118-S120 PolarHBondContact O-N 3.03Å; S120-S124 VanDerWaalsContact O-CB 3.27Å; S120-S124 WeakPolarHBondContact O-CB 3.35Å; S120-S124 PolarHBondContact O-N 2.93Å; S120-S124 PolarHBondContact O-OG 2.65Å |
| 121 | M | 94 | Very high | 94.4 | Very high | 4 Ų | 4 | 12.6 Ų | 12.6 | 2% | 0.02 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -55.5 | -53.3 | 173.3 | -174.9 | -169.1 | 73.5 | 0 | 0 | 111.7 | F117 T118 V119 S124 I125 T205 F257 W261 | F117-M121 PolarHBondContact O-N 3Å; T118-M121 HydrophobicContact CG2-CE 4.44Å; T118-M121 WeakPolarHBondContact O-CB 3.3Å; T118-M121 PolarHBondContact O-N 2.85Å; V119-M121 VanDerWaalsContact C-N 3.35Å; V119-M121 PolarHBondContact O-N 3.04Å; M121-S124 WeakPolarHBondContact O-CB 3.43Å; M121-S124 PolarHBondContact O-N 2.93Å; M121-I125 WeakPolarHBondContact O-CG2 3.45Å; M121-I125 PolarHBondContact O-N 2.9Å; M121-T205 HydrophobicContact CE-CG2 3.69Å; M121-F257 HydrophobicContact CG-CZ 4.39Å; M121-W261 HydrophobicContact CB-CE3 4.45Å; M121-W261 HydrophobicContact CB-CH2 3.42Å; M121-W261 VanDerWaalsContact CB-CH2 3.42Å; M121-W261 HydrophobicContact CB-CZ2 3.73Å; M121-W261 HydrophobicContact CB-CZ3 3.81Å; M121-W261 HydrophobicContact CG-CD2 3.84Å; M121-W261 HydrophobicContact CG-CE3 3.64Å; M121-W261 HydrophobicContact CG-CH2 3.53Å; M121-W261 HydrophobicContact CG-CZ2 3.72Å; M121-W261 HydrophobicContact CG-CZ3 3.47Å; M121-W261 VanDerWaalsContact CG-CZ3 3.47Å; M121-W261 HydrophobicContact SD-CD2 4.22Å; M121-W261 HydrophobicContact SD-CE3 3.49Å; M121-W261 HydrophobicContact SD-CH2 4.07Å; M121-W261 HydrophobicContact SD-CZ3 3.39Å; M121-W261 WeakPolarHBondContact SD-CZ3 3.39Å |
| 122 | L | 95.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.4 | -44.6 | -176.6 | -69 | 173.7 | 0 | 0 | 0 | 112.1 | T118 V119 S124 I125 F126 S165 M168 | T118-L122 HydrophobicContact CG2-CD1 4.1Å; T118-L122 HydrophobicContact CG2-CG 4.47Å; T118-L122 WeakPolarHBondContact O-CG 3.36Å; T118-L122 PolarHBondContact O-N 3.4Å; V119-L122 PolarHBondContact O-N 2.91Å; L122-S124 VanDerWaalsContact C-N 3.27Å; L122-S124 PolarHBondContact O-N 2.96Å; L122-I125 WeakPolarHBondContact O-CG2 3.33Å; L122-I125 PolarHBondContact O-N 3.31Å; L122-F126 HydrophobicContact CB-CD2 4.38Å; L122-F126 HydrophobicContact CB-CE2 4.09Å; L122-F126 HydrophobicContact CD2-CE2 4.27Å; L122-F126 HydrophobicContact CD2-CZ 4.1Å; L122-F126 WeakPolarHBondContact O-CB 3.28Å; L122-F126 VanDerWaalsContact O-CD2 3.23Å; L122-F126 WeakPolarHBondContact O-CD2 3.43Å; L122-F126 VanDerWaalsContact O-CG 3.22Å; L122-F126 WeakPolarHBondContact O-CG 3.48Å; L122-F126 PolarHBondContact O-N 2.92Å; L122-S165 VanDerWaalsContact C-OG 3.3Å; L122-S165 VanDerWaalsContact CB-OG 3.25Å; L122-S165 WeakPolarHBondContact CB-OG 3.23Å; L122-M168 HydrophobicContact CD1-CB 3.65Å; L122-M168 HydrophobicContact CD1-CE 4.45Å; L122-M168 HydrophobicContact CD1-SD 4.43Å; L122-M168 HydrophobicContact CD2-CE 4.2Å |
| 123 | V | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | A82 V119 T127 I161 W162 S165 | A82-V123 HydrophobicContact CB-CG1 3.94Å; V119-V123 HydrophobicContact CG1-CG2 4.02Å; V119-V123 WeakPolarHBondContact O-CB 3.23Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.34Å; V119-V123 PolarHBondContact O-N 3.28Å; V123-T127 WeakPolarHBondContact O-CB 3.22Å; V123-T127 PolarHBondContact O-N 3.33Å; V123-T127 PolarHBondContact O-OG1 3.41Å; V123-I161 HydrophobicContact CB-CG2 4.29Å; V123-I161 HydrophobicContact CG1-CG2 4.15Å; V123-I161 HydrophobicContact CG2-CG2 4.26Å; V123-W162 HydrophobicContact CG1-CZ2 4.3Å; V123-W162 HydrophobicContact CG2-CD2 4.09Å; V123-W162 HydrophobicContact CG2-CE3 4.06Å; V123-W162 HydrophobicContact CG2-CZ3 4.31Å; V123-S165 WeakPolarHBondContact CG2-OG 3.41Å; V123-S165 PolarHBondContact N-OG 2.96Å; V123-S165 VanDerWaalsContact N-OG 3.14Å |
| 124 | S | 93.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.007 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.4 | -55.3 | 178.8 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | S120 M121 L122 F126 T127 L128 | S120-S124 VanDerWaalsContact O-CB 3.27Å; S120-S124 WeakPolarHBondContact O-CB 3.35Å; S120-S124 PolarHBondContact O-N 2.93Å; S120-S124 PolarHBondContact O-OG 2.65Å; M121-S124 WeakPolarHBondContact O-CB 3.43Å; M121-S124 PolarHBondContact O-N 2.93Å; L122-S124 VanDerWaalsContact C-N 3.27Å; L122-S124 PolarHBondContact O-N 2.96Å; S124-F126 PolarHBondContact O-N 2.95Å; S124-T127 PolarHBondContact O-N 3.47Å; S124-L128 WeakPolarHBondContact O-CG 3.38Å; S124-L128 PolarHBondContact O-N 2.92Å |
| 125 | I | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67.9 | -36.7 | -175.7 | -169.5 | 50.7 | 0 | 0 | 0 | 113.1 | M121 L122 L128 S129 P213 I217 F257 | M121-I125 WeakPolarHBondContact O-CG2 3.45Å; M121-I125 PolarHBondContact O-N 2.9Å; L122-I125 WeakPolarHBondContact O-CG2 3.33Å; L122-I125 PolarHBondContact O-N 3.31Å; I125-L128 PolarHBondContact O-N 3.44Å; I125-S129 WeakPolarHBondContact O-CB 3.18Å; I125-S129 PolarHBondContact O-N 3.01Å; I125-S129 PolarHBondContact O-OG 3.4Å; I125-P213 HydrophobicContact CD1-CB 3.68Å; I125-P213 HydrophobicContact CG1-CB 3.31Å; I125-P213 HydrophobicContact CG1-CG 3.62Å; I125-P213 HydrophobicContact CG2-CG 4.39Å; I125-I217 HydrophobicContact CD1-CD1 4.05Å; I125-F257 HydrophobicContact CB-CE1 3.74Å; I125-F257 HydrophobicContact CB-CE2 4.25Å; I125-F257 HydrophobicContact CB-CZ 3.56Å; I125-F257 HydrophobicContact CD1-CD1 3.72Å; I125-F257 HydrophobicContact CD1-CE1 3.59Å; I125-F257 HydrophobicContact CD1-CG 4.48Å; I125-F257 HydrophobicContact CD1-CZ 4.24Å; I125-F257 HydrophobicContact CG1-CD1 4.45Å; I125-F257 HydrophobicContact CG1-CE1 3.81Å; I125-F257 HydrophobicContact CG1-CZ 4.17Å; I125-F257 HydrophobicContact CG2-CZ 4.47Å |
| 126 | F | 96.1 | Very high | 93.4 | Very high | 28 Ų | 28 | 12.2 Ų | 12.2 | 12% | 0.123 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69.8 | -35 | 174.9 | -62.9 | -29.1 | 0 | 0 | 0 | 111.7 | L122 S124 S129 A130 I161 L164 M168 F208 P213 | L122-F126 HydrophobicContact CB-CD2 4.38Å; L122-F126 HydrophobicContact CB-CE2 4.09Å; L122-F126 HydrophobicContact CD2-CE2 4.27Å; L122-F126 HydrophobicContact CD2-CZ 4.1Å; L122-F126 WeakPolarHBondContact O-CB 3.28Å; L122-F126 VanDerWaalsContact O-CD2 3.23Å; L122-F126 WeakPolarHBondContact O-CD2 3.43Å; L122-F126 VanDerWaalsContact O-CG 3.22Å; L122-F126 WeakPolarHBondContact O-CG 3.48Å; L122-F126 PolarHBondContact O-N 2.92Å; S124-F126 PolarHBondContact O-N 2.95Å; F126-S129 WeakPolarHBondContact O-CB 3.39Å; F126-S129 PolarHBondContact O-N 3.45Å; F126-A130 WeakPolarHBondContact O-CB 3.32Å; F126-A130 PolarHBondContact O-N 3.47Å; F126-I161 HydrophobicContact CB-CB 4.42Å; F126-I161 HydrophobicContact CB-CD1 4.38Å; F126-I161 HydrophobicContact CB-CG1 3.88Å; F126-I161 HydrophobicContact CB-CG2 3.88Å; F126-I161 HydrophobicContact CD2-CG2 4.47Å; F126-L164 HydrophobicContact CD2-CD2 4.17Å; F126-L164 HydrophobicContact CE2-CB 4.42Å; F126-L164 HydrophobicContact CE2-CD2 3.59Å; F126-L164 HydrophobicContact CE2-CG 3.81Å; F126-L164 HydrophobicContact CZ-CD2 3.85Å; F126-L164 HydrophobicContact CZ-CG 4.35Å; F126-M168 HydrophobicContact CE2-SD 4.13Å; F126-M168 HydrophobicContact CZ-SD 3.94Å; F126-F208 WeakPolarHBondContact CE1-O 3.44Å; F126-P213 HydrophobicContact CD1-CG 4.47Å; F126-P213 HydrophobicContact CE1-CG 4.32Å |
| 127 | T | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 172.2 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | F75 N78 L79 V123 S124 S129 A130 M131 | F75-T127 HydrophobicContact CB-CG2 3.9Å; F75-T127 HydrophobicContact CD1-CG2 4.29Å; F75-T127 HydrophobicContact CG-CG2 4.48Å; F75-T127 WeakPolarHBondContact O-CG2 3.39Å; N78-T127 PolarHBondContact ND2-OG1 2.93Å; L79-T127 HydrophobicContact CB-CG2 4.26Å; V123-T127 WeakPolarHBondContact O-CB 3.22Å; V123-T127 PolarHBondContact O-N 3.33Å; V123-T127 PolarHBondContact O-OG1 3.41Å; S124-T127 PolarHBondContact O-N 3.47Å; T127-S129 VanDerWaalsContact C-N 3.33Å; T127-S129 PolarHBondContact O-N 3.33Å; T127-A130 PolarHBondContact O-N 3.38Å; T127-M131 HydrophobicContact CG2-SD 4.28Å; T127-M131 VanDerWaalsContact O-CG 3.28Å; T127-M131 WeakPolarHBondContact O-CG 2.94Å; T127-M131 PolarHBondContact O-N 3.44Å |
| 128 | L | 91.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.5 | -68.2 | 177.3 | 0 | 0 | 0 | 112 | L79 S124 I125 M131 S132 V253 V254 F257 | L79-L128 HydrophobicContact CD2-CD2 4.4Å; S124-L128 WeakPolarHBondContact O-CG 3.38Å; S124-L128 PolarHBondContact O-N 2.92Å; I125-L128 PolarHBondContact O-N 3.44Å; L128-M131 HydrophobicContact CD2-SD 4.34Å; L128-M131 WeakPolarHBondContact O-CB 3.4Å; L128-M131 PolarHBondContact O-N 3.37Å; L128-S132 PolarHBondContact O-N 3.28Å; L128-S132 PolarHBondContact O-OG 3.38Å; L128-V253 HydrophobicContact CD1-CG1 4.18Å; L128-V253 HydrophobicContact CD2-CB 4.24Å; L128-V253 HydrophobicContact CD2-CG1 3.35Å; L128-V253 HydrophobicContact CG-CG1 4.42Å; L128-V254 HydrophobicContact CB-CG2 4.5Å; L128-F257 HydrophobicContact CD1-CB 3.78Å; L128-F257 HydrophobicContact CD1-CD2 3.78Å; L128-F257 HydrophobicContact CD1-CG 3.79Å |
| 129 | S | 94.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 12.2 Ų | 12.2 | 6% | 0.056 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 174 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | I125 F126 T127 M131 S132 V133 P213 | I125-S129 WeakPolarHBondContact O-CB 3.18Å; I125-S129 PolarHBondContact O-N 3.01Å; I125-S129 PolarHBondContact O-OG 3.4Å; F126-S129 WeakPolarHBondContact O-CB 3.39Å; F126-S129 PolarHBondContact O-N 3.45Å; T127-S129 VanDerWaalsContact C-N 3.33Å; T127-S129 PolarHBondContact O-N 3.33Å; S129-M131 VanDerWaalsContact C-N 3.31Å; S129-M131 PolarHBondContact O-N 2.82Å; S129-S132 PolarHBondContact O-N 2.84Å; S129-S132 VanDerWaalsContact O-N 3.16Å; S129-V133 WeakPolarHBondContact O-CG2 3.27Å; S129-V133 PolarHBondContact O-N 3.12Å; S129-P213 WeakPolarHBondContact OG-CB 3.21Å |
| 130 | A | 94.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 13.5 Ų | 13.5 | 20% | 0.198 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F75 F126 T127 V133 D134 I161 | F75-A130 HydrophobicContact CD1-CB 4.26Å; F75-A130 HydrophobicContact CE1-CB 3.78Å; F75-A130 HydrophobicContact CE2-CB 4.29Å; F75-A130 HydrophobicContact CZ-CB 3.8Å; F126-A130 WeakPolarHBondContact O-CB 3.32Å; F126-A130 PolarHBondContact O-N 3.47Å; T127-A130 PolarHBondContact O-N 3.38Å; A130-V133 PolarHBondContact O-N 2.84Å; A130-D134 WeakPolarHBondContact O-CB 3.15Å; A130-D134 PolarHBondContact O-N 2.89Å; A130-I161 HydrophobicContact CB-CD1 4.19Å |
| 131 | M | 90.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63 | -42 | 172.9 | -72.2 | 175.9 | 66.8 | 0 | 0 | 111.9 | T72 F75 I76 T127 L128 S129 D134 R135 V250 | T72-M131 HydrophobicContact CG2-CE 4.49Å; F75-M131 HydrophobicContact CB-CG 3.53Å; F75-M131 HydrophobicContact CB-SD 4.07Å; F75-M131 HydrophobicContact CD2-CG 4.15Å; F75-M131 HydrophobicContact CG-CG 4.04Å; I76-M131 HydrophobicContact CD1-CE 4.36Å; I76-M131 HydrophobicContact CG1-CE 3.79Å; I76-M131 HydrophobicContact CG1-SD 4.44Å; T127-M131 HydrophobicContact CG2-SD 4.28Å; T127-M131 VanDerWaalsContact O-CG 3.28Å; T127-M131 WeakPolarHBondContact O-CG 2.94Å; T127-M131 PolarHBondContact O-N 3.44Å; L128-M131 HydrophobicContact CD2-SD 4.34Å; L128-M131 WeakPolarHBondContact O-CB 3.4Å; L128-M131 PolarHBondContact O-N 3.37Å; S129-M131 VanDerWaalsContact C-N 3.31Å; S129-M131 PolarHBondContact O-N 2.82Å; M131-D134 WeakPolarHBondContact O-CB 3.4Å; M131-D134 PolarHBondContact O-N 3.21Å; M131-R135 VanDerWaalsContact O-CG 3.32Å; M131-R135 WeakPolarHBondContact O-CG 3.27Å; M131-R135 PolarHBondContact O-N 2.95Å; M131-V250 HydrophobicContact CB-CG1 4.3Å; M131-V250 HydrophobicContact CE-CG2 4.21Å |
| 132 | S | 90.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.7 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | L128 S129 R135 Y136 I217 Y221 | L128-S132 PolarHBondContact O-N 3.28Å; L128-S132 PolarHBondContact O-OG 3.38Å; S129-S132 PolarHBondContact O-N 2.84Å; S129-S132 VanDerWaalsContact O-N 3.16Å; S132-R135 PolarHBondContact O-N 3.45Å; S132-Y136 WeakPolarHBondContact O-CB 3.41Å; S132-Y136 PolarHBondContact O-N 2.88Å; S132-I217 WeakPolarHBondContact OG-CG2 2.91Å; S132-Y221 WeakPolarHBondContact OG-CE2 3.15Å |
| 133 | V | 93.3 | Very high | 90.5 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 33% | 0.333 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.2 | -44 | 172.8 | 174.3 | 0 | 0 | 0 | 0 | 111 | S129 A130 R135 Y136 V137 L216 | S129-V133 WeakPolarHBondContact O-CG2 3.27Å; S129-V133 PolarHBondContact O-N 3.12Å; A130-V133 PolarHBondContact O-N 2.84Å; V133-R135 VanDerWaalsContact C-N 3.29Å; V133-R135 PolarHBondContact O-N 2.97Å; V133-Y136 WeakPolarHBondContact O-CB 3.48Å; V133-Y136 PolarHBondContact O-N 3.44Å; V133-Y136 VanDerWaalsContact O-N 3.15Å; V133-V137 HydrophobicContact CG1-CG2 4.36Å; V133-V137 WeakPolarHBondContact O-CG2 3.3Å; V133-V137 PolarHBondContact O-N 3.39Å; V133-L216 HydrophobicContact CG2-CD1 4.37Å; V133-L216 HydrophobicContact CG2-CD2 4.27Å; V133-L216 HydrophobicContact CG2-CG 4.45Å |
| 134 | D | 90.3 | Very high | 89.9 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57 | -42.8 | 175.4 | 178.3 | 78.6 | 0 | 0 | 0 | 111.6 | T71 T72 F75 A130 M131 A138 R149 | T71-D134 WeakPolarHBondContact CB-OD1 3.44Å; T71-D134 PolarHBondContact OG1-OD1 2.99Å; T72-D134 PolarHBondContact OG1-OD2 3.04Å; F75-D134 HydrophobicContact CE2-CB 4.33Å; A130-D134 WeakPolarHBondContact O-CB 3.15Å; A130-D134 PolarHBondContact O-N 2.89Å; M131-D134 WeakPolarHBondContact O-CB 3.4Å; M131-D134 PolarHBondContact O-N 3.21Å; D134-A138 VanDerWaalsContact O-CB 3.28Å; D134-A138 WeakPolarHBondContact O-CB 3.37Å; D134-A138 PolarHBondContact O-N 3.45Å; D134-R149 VanDerWaalsContact CG-NE 3.33Å; D134-R149 IonicContact OD1-CZ 3.96Å; D134-R149 IonicContact OD1-NE 2.73Å; D134-R149 PolarHBondContact OD1-NE 3.27Å; D134-R149 IonicContact OD1-NH2 3.86Å; D134-R149 PolarHBondContact OD1-NH2 2.83Å; D134-R149 IonicContact OD2-CZ 3.39Å; D134-R149 IonicContact OD2-NE 3.42Å; D134-R149 PolarHBondContact OD2-NE 3.35Å; D134-R149 IonicContact OD2-NH2 3.2Å; D134-R149 PolarHBondContact OD2-NH2 3.37Å |
| 135 | R | 88.3 | Confident | 89.5 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 11% | 0.109 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 174.5 | -68.5 | -57.8 | 88 | -164.4 | 8 | 112.1 | T72 M131 S132 V133 A138 I139 V250 | T72-R135 PolarHBondContact OG1-NH2 3.23Å; M131-R135 VanDerWaalsContact O-CG 3.32Å; M131-R135 WeakPolarHBondContact O-CG 3.27Å; M131-R135 PolarHBondContact O-N 2.95Å; S132-R135 PolarHBondContact O-N 3.45Å; V133-R135 VanDerWaalsContact C-N 3.29Å; V133-R135 PolarHBondContact O-N 2.97Å; R135-A138 PolarHBondContact O-N 3.07Å; R135-I139 WeakPolarHBondContact O-CG1 3.49Å; R135-I139 PolarHBondContact O-N 2.98Å; R135-I139 VanDerWaalsContact O-N 3.08Å; R135-V250 HydrophobicContact CG-CG2 4.27Å |
| 136 | Y | 90.5 | Very high | 88.9 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 18% | 0.18 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.4 | -50.7 | 177.1 | 165.4 | -104.8 | 0 | 0 | 0 | 111.4 | S132 V133 A138 I139 V140 H141 K223 V224 | S132-Y136 WeakPolarHBondContact O-CB 3.41Å; S132-Y136 PolarHBondContact O-N 2.88Å; V133-Y136 WeakPolarHBondContact O-CB 3.48Å; V133-Y136 PolarHBondContact O-N 3.44Å; V133-Y136 VanDerWaalsContact O-N 3.15Å; Y136-A138 PolarHBondContact O-N 2.84Å; Y136-I139 PolarHBondContact O-N 3.28Å; Y136-V140 HydrophobicContact CD2-CB 3.95Å; Y136-V140 HydrophobicContact CD2-CG1 4.5Å; Y136-V140 HydrophobicContact CD2-CG2 3.55Å; Y136-V140 HydrophobicContact CE2-CB 3.72Å; Y136-V140 HydrophobicContact CE2-CG1 3.79Å; Y136-V140 HydrophobicContact CE2-CG2 3.65Å; Y136-V140 VanDerWaalsContact O-CB 3.31Å; Y136-V140 WeakPolarHBondContact O-CB 3.19Å; Y136-V140 PolarHBondContact O-N 3.06Å; Y136-H141 AromaticContact CE1-CD2 3.67Å; Y136-H141 AromaticContact CE1-NE2 3.74Å; Y136-H141 AromaticContact CZ-CD2 3.74Å; Y136-H141 AromaticContact CZ-NE2 3.48Å; Y136-H141 PolarHBondContact OH-NE2 2.95Å; Y136-K223 HydrophobicContact CD2-CB 3.83Å; Y136-K223 HydrophobicContact CE2-CB 3.56Å; Y136-K223 HydrophobicContact CE2-CG 4.11Å; Y136-V224 HydrophobicContact CD2-CG2 4.43Å |
| 137 | V | 90.5 | Very high | 88.3 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 178.5 | 174 | 0 | 0 | 0 | 0 | 111.3 | V133 I139 H141 I148 R149 | V133-V137 HydrophobicContact CG1-CG2 4.36Å; V133-V137 WeakPolarHBondContact O-CG2 3.3Å; V133-V137 PolarHBondContact O-N 3.39Å; V137-I139 VanDerWaalsContact C-N 3.32Å; V137-I139 PolarHBondContact O-N 2.89Å; V137-H141 CarbonylContact O-C 3.26Å; V137-H141 VanDerWaalsContact O-C 3.26Å; V137-H141 WeakPolarHBondContact O-CA 3.28Å; V137-H141 PolarHBondContact O-N 3.26Å; V137-H141 VanDerWaalsContact O-N 3.14Å; V137-I148 HydrophobicContact CG1-CB 4.07Å; V137-I148 HydrophobicContact CG1-CD1 4.1Å; V137-I148 HydrophobicContact CG1-CG2 3.94Å; V137-R149 HydrophobicContact CG1-CG 4.08Å |
| 138 | A | 87.3 | Confident | 87.8 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -37.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D134 R135 Y136 | D134-A138 VanDerWaalsContact O-CB 3.28Å; D134-A138 WeakPolarHBondContact O-CB 3.37Å; D134-A138 PolarHBondContact O-N 3.45Å; R135-A138 PolarHBondContact O-N 3.07Å; Y136-A138 PolarHBondContact O-N 2.84Å |
| 139 | I | 85.2 | Confident | 87.6 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -93.8 | -51.5 | -173.6 | -63.2 | 171.5 | 0 | 0 | 0 | 110.9 | R135 Y136 V137 V224 H227 L228 K243 A247 | R135-I139 WeakPolarHBondContact O-CG1 3.49Å; R135-I139 PolarHBondContact O-N 2.98Å; R135-I139 VanDerWaalsContact O-N 3.08Å; Y136-I139 PolarHBondContact O-N 3.28Å; V137-I139 VanDerWaalsContact C-N 3.32Å; V137-I139 PolarHBondContact O-N 2.89Å; I139-V224 HydrophobicContact CD1-CG1 3.71Å; I139-V224 HydrophobicContact CD1-CG2 4.47Å; I139-V224 HydrophobicContact CG2-CG1 4.33Å; I139-H227 PolarHBondContact O-NE2 2.78Å; I139-L228 HydrophobicContact CG2-CD2 3.93Å; I139-L228 HydrophobicContact CG2-CG 4.3Å; I139-K243 HydrophobicContact CD1-CB 4.48Å; I139-A247 HydrophobicContact CD1-CB 4.33Å |
| 140 | V | 87.5 | Confident | 87.3 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 16% | 0.164 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -80.4 | -36.2 | -171.5 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | Y136 V224 H227 | Y136-V140 HydrophobicContact CD2-CB 3.95Å; Y136-V140 HydrophobicContact CD2-CG1 4.5Å; Y136-V140 HydrophobicContact CD2-CG2 3.55Å; Y136-V140 HydrophobicContact CE2-CB 3.72Å; Y136-V140 HydrophobicContact CE2-CG1 3.79Å; Y136-V140 HydrophobicContact CE2-CG2 3.65Å; Y136-V140 VanDerWaalsContact O-CB 3.31Å; Y136-V140 WeakPolarHBondContact O-CB 3.19Å; Y136-V140 PolarHBondContact O-N 3.06Å; V140-V224 HydrophobicContact CG2-CG2 4.23Å; V140-H227 HydrophobicContact CG1-CB 4.48Å; V140-H227 HydrophobicContact CG2-CB 3.83Å; V140-H227 PolarHBondContact O-CE1 3.48Å |
| 141 | H | 86.4 | Confident | 87 | Confident | 78 Ų | 78 | 56.6 Ų | 56.6 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 41.8 | -177.6 | -65.6 | -65.8 | 0 | 0 | 0 | 112.2 | Y136 V137 R143 K144 S145 | Y136-H141 AromaticContact CE1-CD2 3.67Å; Y136-H141 AromaticContact CE1-NE2 3.74Å; Y136-H141 AromaticContact CZ-CD2 3.74Å; Y136-H141 AromaticContact CZ-NE2 3.48Å; Y136-H141 PolarHBondContact OH-NE2 2.95Å; V137-H141 CarbonylContact O-C 3.26Å; V137-H141 VanDerWaalsContact O-C 3.26Å; V137-H141 WeakPolarHBondContact O-CA 3.28Å; V137-H141 PolarHBondContact O-N 3.26Å; V137-H141 VanDerWaalsContact O-N 3.14Å; H141-R143 PolarHBondContact O-N 2.92Å; H141-K144 PolarHBondContact O-N 3.25Å; H141-S145 PolarHBondContact O-N 3.32Å |
| 142 | S | 82.4 | Confident | 86.9 | Confident | 71 Ų | 71 | 66 Ų | 66 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -36.3 | -174.2 | 63.9 | 0 | 0 | 0 | 0 | 114.7 | S145 | S142-S145 WeakPolarHBondContact O-CB 3.31Å; S142-S145 PolarHBondContact O-N 3.26Å |
| 143 | R | 81.9 | Confident | 87 | Confident | 237 Ų | 237 | 71.5 Ų | 71.5 | 89% | 0.894 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -38.2 | 177 | -76 | -176.6 | 160.9 | 179.1 | -5.9 | 113.9 | H141 | H141-R143 PolarHBondContact O-N 2.92Š|
| 144 | K | 84.4 | Confident | 87 | Confident | 147 Ų | 147 | 69.1 Ų | 69.1 | 64% | 0.639 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -10.1 | 177.9 | -65.3 | -174.2 | 178 | -175.7 | 0 | 112.4 | H141 S146 S147 I148 | H141-K144 PolarHBondContact O-N 3.25Å; K144-S146 VanDerWaalsContact C-N 3.28Å; K144-S146 PolarHBondContact O-N 3.42Å; K144-S147 PolarHBondContact O-N 3.24Å; K144-S147 VanDerWaalsContact O-N 3.15Å; K144-I148 HydrophobicContact CB-CD1 3.92Å; K144-I148 WeakPolarHBondContact O-CG1 3.49Å; K144-I148 PolarHBondContact O-N 3.13Å; K144-I148 VanDerWaalsContact O-N 3.16Å |
| 145 | S | 84.4 | Confident | 87.1 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 11% | 0.112 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.2 | -35.3 | -174.7 | 177.3 | 0 | 0 | 0 | 0 | 113.6 | H141 S142 R149 | H141-S145 PolarHBondContact O-N 3.32Å; S142-S145 WeakPolarHBondContact O-CB 3.31Å; S142-S145 PolarHBondContact O-N 3.26Å; S145-R149 WeakPolarHBondContact O-CB 3.13Å; S145-R149 WeakPolarHBondContact O-CG 3.31Å; S145-R149 PolarHBondContact O-N 3.44Å; S145-R149 WeakPolarHBondContact OG-CD 3.36Å |
| 146 | S | 82.3 | Confident | 87.5 | Confident | 100 Ų | 100 | 76.7 Ų | 76.7 | 70% | 0.699 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.9 | -33.4 | -179.5 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | K144 | K144-S146 VanDerWaalsContact C-N 3.28Å; K144-S146 PolarHBondContact O-N 3.42Å |
| 147 | S | 84.3 | Confident | 87.7 | Confident | 86 Ų | 86 | 75.7 Ų | 75.7 | 60% | 0.601 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -80 | -31 | 177.2 | -179 | 0 | 0 | 0 | 0 | 112.7 | K144 V150 | K144-S147 PolarHBondContact O-N 3.24Å; K144-S147 VanDerWaalsContact O-N 3.15Å; S147-V150 WeakPolarHBondContact O-CG2 3.46Å |
| 148 | I | 82.7 | Confident | 88 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 40% | 0.395 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -88.4 | -41.8 | -176.3 | -62.1 | 169 | 0 | 0 | 0 | 111.3 | V137 K144 V150 H153 | V137-I148 HydrophobicContact CG1-CB 4.07Å; V137-I148 HydrophobicContact CG1-CD1 4.1Å; V137-I148 HydrophobicContact CG1-CG2 3.94Å; K144-I148 HydrophobicContact CB-CD1 3.92Å; K144-I148 WeakPolarHBondContact O-CG1 3.49Å; K144-I148 PolarHBondContact O-N 3.13Å; K144-I148 VanDerWaalsContact O-N 3.16Å; I148-V150 PolarHBondContact O-N 2.96Å; I148-H153 PolarHBondContact O-CD2 3.21Å |
| 149 | R | 87.9 | Confident | 88.5 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 25% | 0.249 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -85.8 | 60.7 | -174.7 | -59 | -177.5 | 66.6 | -135.4 | -12.8 | 111.3 | T71 T72 D134 V137 S145 | T71-R149 HydrophobicContact CG2-CB 4.02Å; T71-R149 WeakPolarHBondContact CG2-O 3.22Å; T71-R149 PolarHBondContact OG1-NE 3.17Å; T71-R149 PolarHBondContact OG1-NH2 2.92Å; T72-R149 PolarHBondContact OG1-NH2 3.47Å; D134-R149 VanDerWaalsContact CG-NE 3.33Å; D134-R149 IonicContact OD1-CZ 3.96Å; D134-R149 IonicContact OD1-NE 2.73Å; D134-R149 PolarHBondContact OD1-NE 3.27Å; D134-R149 IonicContact OD1-NH2 3.86Å; D134-R149 PolarHBondContact OD1-NH2 2.83Å; D134-R149 IonicContact OD2-CZ 3.39Å; D134-R149 IonicContact OD2-NE 3.42Å; D134-R149 PolarHBondContact OD2-NE 3.35Å; D134-R149 IonicContact OD2-NH2 3.2Å; D134-R149 PolarHBondContact OD2-NH2 3.37Å; V137-R149 HydrophobicContact CG1-CG 4.08Å; S145-R149 WeakPolarHBondContact O-CB 3.13Å; S145-R149 WeakPolarHBondContact O-CG 3.31Å; S145-R149 PolarHBondContact O-N 3.44Å; S145-R149 WeakPolarHBondContact OG-CD 3.36Å |
| 150 | V | 88 | Confident | 89.1 | Confident | 61 Ų | 61 | 80.8 Ų | 80.8 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | trans | -105.1 | 144.8 | 178.3 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | S147 I148 R152 H153 A154 | S147-V150 WeakPolarHBondContact O-CG2 3.46Å; I148-V150 PolarHBondContact O-N 2.96Å; V150-R152 PolarHBondContact O-N 3.14Å; V150-R152 VanDerWaalsContact O-N 3.17Å; V150-H153 PolarHBondContact O-N 2.87Å; V150-H153 VanDerWaalsContact O-N 3.1Å; V150-A154 PolarHBondContact O-N 3.23Å | ||
| 151 | A | 87.6 | Confident | 89.6 | Confident | 38 Ų | 38 | 80.2 Ų | 80.2 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -54 | -36.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I74 H153 A154 L155 | I74-A151 HydrophobicContact CD1-CB 3.79Å; A151-H153 PolarHBondContact O-N 3.23Å; A151-A154 PolarHBondContact O-N 2.81Å; A151-L155 WeakPolarHBondContact O-CB 3.43Å; A151-L155 PolarHBondContact O-N 3.34Å |
| 152 | R | 89.9 | Confident | 90.2 | Very high | 199 Ų | 199 | 79.6 Ų | 79.6 | 75% | 0.751 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.3 | -47.1 | 177.1 | -172.2 | 177.7 | -178.3 | 179.9 | 1 | 112.2 | V150 L155 V156 | V150-R152 PolarHBondContact O-N 3.14Å; V150-R152 VanDerWaalsContact O-N 3.17Å; R152-L155 PolarHBondContact O-N 3.46Å; R152-V156 WeakPolarHBondContact O-CG2 3.45Å; R152-V156 PolarHBondContact O-N 2.95Å |
| 153 | H | 92.3 | Very high | 90.9 | Very high | 117 Ų | 117 | 81.6 Ų | 81.6 | 54% | 0.542 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 178.5 | -66.3 | -55.1 | 0 | 0 | 0 | 112 | I148 V150 A151 V156 G157 | I148-H153 PolarHBondContact O-CD2 3.21Å; V150-H153 PolarHBondContact O-N 2.87Å; V150-H153 VanDerWaalsContact O-N 3.1Å; A151-H153 PolarHBondContact O-N 3.23Å; H153-V156 PolarHBondContact O-N 2.65Å; H153-G157 PolarHBondContact O-N 3.12Å |
| 154 | A | 92.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 74.4 Ų | 74.4 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | T71 I74 F75 V150 A151 G157 V158 | T71-A154 HydrophobicContact CG2-CB 3.84Å; I74-A154 HydrophobicContact CB-CB 4.4Å; I74-A154 HydrophobicContact CD1-CB 4.02Å; I74-A154 HydrophobicContact CG2-CB 4.29Å; F75-A154 HydrophobicContact CE2-CB 4.3Å; F75-A154 HydrophobicContact CZ-CB 4.07Å; V150-A154 PolarHBondContact O-N 3.23Å; A151-A154 PolarHBondContact O-N 2.81Å; A154-G157 PolarHBondContact O-N 3.28Å; A154-V158 WeakPolarHBondContact O-CG2 3.31Å; A154-V158 PolarHBondContact O-N 2.96Å |
| 155 | L | 93.7 | Very high | 92.3 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 56% | 0.56 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.7 | -43.8 | 178.1 | -175.9 | 69.6 | 0 | 0 | 0 | 111.9 | A151 R152 G157 V158 V159 | A151-L155 WeakPolarHBondContact O-CB 3.43Å; A151-L155 PolarHBondContact O-N 3.34Å; R152-L155 PolarHBondContact O-N 3.46Å; L155-G157 VanDerWaalsContact C-N 3.25Å; L155-G157 PolarHBondContact O-N 3.48Å; L155-V158 PolarHBondContact O-N 3.24Å; L155-V158 VanDerWaalsContact O-N 3.17Å; L155-V159 WeakPolarHBondContact O-CG2 3.45Å; L155-V159 PolarHBondContact O-N 2.99Å |
| 156 | V | 95.4 | Very high | 92.9 | Very high | 93 Ų | 93 | 69.6 Ų | 69.6 | 56% | 0.564 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.9 | -42.3 | 172.7 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | R152 H153 V159 A160 | R152-V156 WeakPolarHBondContact O-CG2 3.45Å; R152-V156 PolarHBondContact O-N 2.95Å; H153-V156 PolarHBondContact O-N 2.65Å; V156-V159 PolarHBondContact O-N 2.96Å; V156-A160 WeakPolarHBondContact O-CB 3.36Å; V156-A160 PolarHBondContact O-N 3.49Å |
| 157 | G | 95.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 26% | 0.258 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H153 A154 L155 A160 I161 | H153-G157 PolarHBondContact O-N 3.12Å; A154-G157 PolarHBondContact O-N 3.28Å; L155-G157 VanDerWaalsContact C-N 3.25Å; L155-G157 PolarHBondContact O-N 3.48Å; G157-A160 PolarHBondContact O-N 2.82Å; G157-I161 WeakPolarHBondContact O-CG1 3.31Å; G157-I161 PolarHBondContact O-N 3.23Å |
| 158 | V | 96.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 9% | 0.085 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | I74 F75 N78 A154 L155 A160 I161 W162 | I74-V158 HydrophobicContact CG2-CG2 4.11Å; F75-V158 HydrophobicContact CD1-CG2 3.98Å; F75-V158 HydrophobicContact CE1-CG2 4.02Å; N78-V158 HydrophobicContact CB-CG1 4.32Å; N78-V158 HydrophobicContact CB-CG2 4.13Å; N78-V158 VanDerWaalsContact OD1-CG1 3.31Å; N78-V158 WeakPolarHBondContact OD1-CG1 3.35Å; A154-V158 WeakPolarHBondContact O-CG2 3.31Å; A154-V158 PolarHBondContact O-N 2.96Å; L155-V158 PolarHBondContact O-N 3.24Å; L155-V158 VanDerWaalsContact O-N 3.17Å; V158-A160 VanDerWaalsContact C-N 3.32Å; V158-A160 PolarHBondContact O-N 2.81Å; V158-I161 WeakPolarHBondContact O-CB 3.25Å; V158-I161 PolarHBondContact O-N 3.44Å; V158-W162 VanDerWaalsContact O-CD1 3.26Å; V158-W162 PolarHBondContact O-N 3.41Å |
| 159 | V | 97.4 | Very high | 94.9 | Very high | 78 Ų | 78 | 62.2 Ų | 62.2 | 47% | 0.473 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 111 | L155 V156 I161 W162 L163 | L155-V159 WeakPolarHBondContact O-CG2 3.45Å; L155-V159 PolarHBondContact O-N 2.99Å; V156-V159 PolarHBondContact O-N 2.96Å; V159-I161 VanDerWaalsContact C-N 3.35Å; V159-I161 PolarHBondContact O-N 3.38Å; V159-W162 PolarHBondContact O-N 3.03Å; V159-L163 HydrophobicContact CG1-CD1 3.96Å; V159-L163 HydrophobicContact CG1-CG 4.37Å; V159-L163 WeakPolarHBondContact O-CG 3.47Å; V159-L163 PolarHBondContact O-N 3.39Å |
| 160 | A | 97.7 | Very high | 95.3 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 45% | 0.446 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V156 G157 V158 L163 L164 | V156-A160 WeakPolarHBondContact O-CB 3.36Å; V156-A160 PolarHBondContact O-N 3.49Å; G157-A160 PolarHBondContact O-N 2.82Å; V158-A160 VanDerWaalsContact C-N 3.32Å; V158-A160 PolarHBondContact O-N 2.81Å; A160-L163 PolarHBondContact O-N 3.42Å; A160-L164 VanDerWaalsContact O-CB 3.29Å; A160-L164 WeakPolarHBondContact O-CB 3.42Å; A160-L164 PolarHBondContact O-N 3.38Å |
| 161 | I | 97.9 | Very high | 95.7 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.077 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 175.4 | -71.9 | 165.5 | 0 | 0 | 0 | 110.3 | V123 F126 A130 G157 V158 V159 L164 S165 | V123-I161 HydrophobicContact CB-CG2 4.29Å; V123-I161 HydrophobicContact CG1-CG2 4.15Å; V123-I161 HydrophobicContact CG2-CG2 4.26Å; F126-I161 HydrophobicContact CB-CB 4.42Å; F126-I161 HydrophobicContact CB-CD1 4.38Å; F126-I161 HydrophobicContact CB-CG1 3.88Å; F126-I161 HydrophobicContact CB-CG2 3.88Å; F126-I161 HydrophobicContact CD2-CG2 4.47Å; A130-I161 HydrophobicContact CB-CD1 4.19Å; G157-I161 WeakPolarHBondContact O-CG1 3.31Å; G157-I161 PolarHBondContact O-N 3.23Å; V158-I161 WeakPolarHBondContact O-CB 3.25Å; V158-I161 PolarHBondContact O-N 3.44Å; V159-I161 VanDerWaalsContact C-N 3.35Å; V159-I161 PolarHBondContact O-N 3.38Å; I161-L164 PolarHBondContact O-N 2.85Å; I161-S165 WeakPolarHBondContact O-CB 3.27Å; I161-S165 PolarHBondContact O-N 3.37Å; I161-S165 PolarHBondContact O-OG 3.36Å |
| 162 | W | 98.1 | Very high | 96 | Very high | 65 Ų | 65 | 59.4 Ų | 59.4 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 179.8 | -82.3 | 96.8 | 0 | 0 | 0 | 112.3 | N78 A82 V119 V123 V158 V159 L164 S165 L166 | N78-W162 PolarHBondContact OD1-NE1 3.27Å; A82-W162 HydrophobicContact CB-CH2 4.23Å; A82-W162 HydrophobicContact CB-CZ2 3.96Å; V119-W162 HydrophobicContact CG1-CE3 4.44Å; V119-W162 HydrophobicContact CG1-CZ3 4.13Å; V123-W162 HydrophobicContact CG1-CZ2 4.3Å; V123-W162 HydrophobicContact CG2-CD2 4.09Å; V123-W162 HydrophobicContact CG2-CE3 4.06Å; V123-W162 HydrophobicContact CG2-CZ3 4.31Å; V158-W162 VanDerWaalsContact O-CD1 3.26Å; V158-W162 PolarHBondContact O-N 3.41Å; V159-W162 PolarHBondContact O-N 3.03Å; W162-L164 VanDerWaalsContact C-N 3.33Å; W162-L164 PolarHBondContact O-N 3.49Å; W162-S165 PolarHBondContact O-N 2.98Å; W162-L166 HydrophobicContact CE3-CD1 4.44Å; W162-L166 HydrophobicContact CE3-CG 4.48Å; W162-L166 VanDerWaalsContact O-CB 3.3Å; W162-L166 WeakPolarHBondContact O-CB 3.33Å; W162-L166 WeakPolarHBondContact O-CD1 3.3Å; W162-L166 WeakPolarHBondContact O-CG 3.39Å; W162-L166 PolarHBondContact O-N 2.96Å |
| 163 | L | 98.1 | Very high | 96.2 | Very high | 113 Ų | 113 | 53.4 Ų | 53.4 | 59% | 0.592 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.6 | -44.6 | 179.7 | -69.2 | 175.6 | 0 | 0 | 0 | 111.8 | V159 A160 A167 | V159-L163 HydrophobicContact CG1-CD1 3.96Å; V159-L163 HydrophobicContact CG1-CG 4.37Å; V159-L163 WeakPolarHBondContact O-CG 3.47Å; V159-L163 PolarHBondContact O-N 3.39Å; A160-L163 PolarHBondContact O-N 3.42Å; L163-A167 VanDerWaalsContact O-CB 3.27Å; L163-A167 WeakPolarHBondContact O-CB 3.48Å; L163-A167 PolarHBondContact O-N 3.24Å |
| 164 | L | 97.4 | Very high | 96.3 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 178.4 | -177.2 | 61.3 | 0 | 0 | 0 | 111.4 | F126 A160 I161 W162 A167 M168 | F126-L164 HydrophobicContact CD2-CD2 4.17Å; F126-L164 HydrophobicContact CE2-CB 4.42Å; F126-L164 HydrophobicContact CE2-CD2 3.59Å; F126-L164 HydrophobicContact CE2-CG 3.81Å; F126-L164 HydrophobicContact CZ-CD2 3.85Å; F126-L164 HydrophobicContact CZ-CG 4.35Å; A160-L164 VanDerWaalsContact O-CB 3.29Å; A160-L164 WeakPolarHBondContact O-CB 3.42Å; A160-L164 PolarHBondContact O-N 3.38Å; I161-L164 PolarHBondContact O-N 2.85Å; W162-L164 VanDerWaalsContact C-N 3.33Å; W162-L164 PolarHBondContact O-N 3.49Å; L164-A167 PolarHBondContact O-N 2.91Å; L164-M168 HydrophobicContact CD1-CG 4.04Å; L164-M168 HydrophobicContact CD1-SD 3.76Å; L164-M168 HydrophobicContact CD2-SD 4.4Å; L164-M168 HydrophobicContact CG-CG 4.4Å; L164-M168 HydrophobicContact CG-SD 3.75Å; L164-M168 WeakPolarHBondContact O-CB 3.47Å; L164-M168 VanDerWaalsContact O-CG 3.26Å; L164-M168 WeakPolarHBondContact O-CG 3.37Å; L164-M168 PolarHBondContact O-N 2.98Å |
| 165 | S | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 179.1 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | L122 V123 I161 W162 A169 | L122-S165 VanDerWaalsContact C-OG 3.3Å; L122-S165 VanDerWaalsContact CB-OG 3.25Å; L122-S165 WeakPolarHBondContact CB-OG 3.23Å; V123-S165 WeakPolarHBondContact CG2-OG 3.41Å; V123-S165 PolarHBondContact N-OG 2.96Å; V123-S165 VanDerWaalsContact N-OG 3.14Å; I161-S165 WeakPolarHBondContact O-CB 3.27Å; I161-S165 PolarHBondContact O-N 3.37Å; I161-S165 PolarHBondContact O-OG 3.36Å; W162-S165 PolarHBondContact O-N 2.98Å; S165-A169 VanDerWaalsContact O-CB 3.31Å; S165-A169 WeakPolarHBondContact O-CB 3.33Å; S165-A169 PolarHBondContact O-N 3.29Å |
| 166 | L | 97.7 | Very high | 96.3 | Very high | 61 Ų | 61 | 51.7 Ų | 51.7 | 32% | 0.319 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 178.4 | -70.9 | 168 | 0 | 0 | 0 | 111.5 | Y115 V119 W162 A170 | Y115-L166 HydrophobicContact CE1-CD2 4.12Å; Y115-L166 WeakPolarHBondContact OH-CA 3.46Å; Y115-L166 WeakPolarHBondContact OH-CB 3.03Å; Y115-L166 WeakPolarHBondContact OH-CD2 3.18Å; Y115-L166 PolarHBondContact OH-O 3.39Å; V119-L166 HydrophobicContact CG1-CD2 3.97Å; V119-L166 HydrophobicContact CG1-CG 4.49Å; V119-L166 HydrophobicContact CG2-CD2 4.04Å; W162-L166 HydrophobicContact CE3-CD1 4.44Å; W162-L166 HydrophobicContact CE3-CG 4.48Å; W162-L166 VanDerWaalsContact O-CB 3.3Å; W162-L166 WeakPolarHBondContact O-CB 3.33Å; W162-L166 WeakPolarHBondContact O-CD1 3.3Å; W162-L166 WeakPolarHBondContact O-CG 3.39Å; W162-L166 PolarHBondContact O-N 2.96Å; L166-A170 PolarHBondContact O-N 3.01Å |
| 167 | A | 97.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 50 Ų | 50 | 54% | 0.537 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.4 | -46.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L163 L164 A169 A170 | L163-A167 VanDerWaalsContact O-CB 3.27Å; L163-A167 WeakPolarHBondContact O-CB 3.48Å; L163-A167 PolarHBondContact O-N 3.24Å; L164-A167 PolarHBondContact O-N 2.91Å; A167-A169 VanDerWaalsContact C-N 3.32Å; A167-A169 PolarHBondContact O-N 3.27Å; A167-A170 VanDerWaalsContact O-CB 3.27Å; A167-A170 WeakPolarHBondContact O-CB 3.48Å; A167-A170 PolarHBondContact O-N 3.34Å |
| 168 | M | 96.7 | Very high | 95.9 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 21% | 0.212 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.1 | -34.3 | -179.9 | -75.4 | 178.6 | 71 | 0 | 0 | 113 | L122 F126 L164 A170 P171 Y201 F208 | L122-M168 HydrophobicContact CD1-CB 3.65Å; L122-M168 HydrophobicContact CD1-CE 4.45Å; L122-M168 HydrophobicContact CD1-SD 4.43Å; L122-M168 HydrophobicContact CD2-CE 4.2Å; F126-M168 HydrophobicContact CE2-SD 4.13Å; F126-M168 HydrophobicContact CZ-SD 3.94Å; L164-M168 HydrophobicContact CD1-CG 4.04Å; L164-M168 HydrophobicContact CD1-SD 3.76Å; L164-M168 HydrophobicContact CD2-SD 4.4Å; L164-M168 HydrophobicContact CG-CG 4.4Å; L164-M168 HydrophobicContact CG-SD 3.75Å; L164-M168 WeakPolarHBondContact O-CB 3.47Å; L164-M168 VanDerWaalsContact O-CG 3.26Å; L164-M168 WeakPolarHBondContact O-CG 3.37Å; L164-M168 PolarHBondContact O-N 2.98Å; M168-A170 VanDerWaalsContact C-N 3.32Å; M168-P171 WeakPolarHBondContact O-CD 3.4Å; M168-Y201 WeakPolarHBondContact O-CE2 3.32Å; M168-F208 HydrophobicContact CE-CB 3.31Å; M168-F208 HydrophobicContact CE-CD2 4.11Å; M168-F208 HydrophobicContact CE-CG 3.88Å |
| 169 | A | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.4 | -13 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y115 T118 V119 S165 A167 R172 | Y115-A169 HydrophobicContact CD2-CB 3.74Å; Y115-A169 VanDerWaalsContact CD2-O 3.3Å; Y115-A169 WeakPolarHBondContact CD2-O 3.23Å; Y115-A169 VanDerWaalsContact CE2-C 3.5Å; Y115-A169 HydrophobicContact CE2-CB 3.53Å; T118-A169 HydrophobicContact CG2-CB 3.86Å; V119-A169 HydrophobicContact CG2-CB 3.48Å; V119-A169 VanDerWaalsContact CG2-CB 3.48Å; S165-A169 VanDerWaalsContact O-CB 3.31Å; S165-A169 WeakPolarHBondContact O-CB 3.33Å; S165-A169 PolarHBondContact O-N 3.29Å; A167-A169 VanDerWaalsContact C-N 3.32Å; A167-A169 PolarHBondContact O-N 3.27Å; A169-R172 VanDerWaalsContact O-CB 3.31Å; A169-R172 WeakPolarHBondContact O-CB 3.41Å; A169-R172 PolarHBondContact O-N 3.31Å |
| 170 | A | 96.5 | Very high | 94.9 | Very high | 49 Ų | 49 | 57.1 Ų | 57.1 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.4 | -38.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | L166 A167 M168 R172 M173 H174 | L166-A170 PolarHBondContact O-N 3.01Å; A167-A170 VanDerWaalsContact O-CB 3.27Å; A167-A170 WeakPolarHBondContact O-CB 3.48Å; A167-A170 PolarHBondContact O-N 3.34Å; M168-A170 VanDerWaalsContact C-N 3.32Å; A170-R172 PolarHBondContact O-N 2.89Å; A170-M173 WeakPolarHBondContact O-CB 3.37Å; A170-M173 PolarHBondContact O-N 2.88Å; A170-M173 VanDerWaalsContact O-N 3.12Å; A170-H174 PolarHBondContact O-N 3.39Å |
| 171 | P | 95.4 | Very high | 93.9 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 26% | 0.26 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.9 | -35.4 | 175.9 | -26.7 | 37 | 0 | 0 | 0 | 112.9 | M168 M173 H174 Y175 W192 Y201 | M168-P171 WeakPolarHBondContact O-CD 3.4Å; P171-M173 VanDerWaalsContact C-N 3.35Å; P171-M173 PolarHBondContact O-N 2.78Å; P171-H174 PolarHBondContact O-N 3.11Å; P171-H174 VanDerWaalsContact O-N 3.12Å; P171-Y175 HydrophobicContact CB-CD2 4.14Å; P171-Y175 HydrophobicContact CB-CE2 4.17Å; P171-Y175 WeakPolarHBondContact O-CD2 3.49Å; P171-Y175 PolarHBondContact O-N 3.34Å; P171-W192 HydrophobicContact CB-CH2 3.94Å; P171-Y201 HydrophobicContact CB-CD2 3.87Å; P171-Y201 HydrophobicContact CB-CE2 3.72Å; P171-Y201 HydrophobicContact CG-CD2 3.9Å; P171-Y201 HydrophobicContact CG-CE2 3.7Å |
| 172 | R | 93.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 6% | 0.064 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 178.7 | -167.4 | 142 | -87.3 | -101.9 | -1.4 | 112 | H114 T118 A169 A170 H174 Y176 E202 | H114-R172 HydrophobicContact CB-CG 4.16Å; T118-R172 WeakPolarHBondContact OG1-CD 3.32Å; A169-R172 VanDerWaalsContact O-CB 3.31Å; A169-R172 WeakPolarHBondContact O-CB 3.41Å; A169-R172 PolarHBondContact O-N 3.31Å; A170-R172 PolarHBondContact O-N 2.89Å; R172-H174 VanDerWaalsContact C-N 3.31Å; R172-H174 PolarHBondContact O-N 3.09Å; R172-Y176 HydrophobicContact CG-CD2 3.71Å; R172-Y176 HydrophobicContact CG-CE2 3.73Å; R172-Y176 PolarHBondContact NH1-OH 3.05Å; R172-Y176 WeakPolarHBondContact O-CB 3.42Å; R172-Y176 VanDerWaalsContact O-CD2 3.31Å; R172-Y176 WeakPolarHBondContact O-CD2 3.48Å; R172-Y176 PolarHBondContact O-N 2.97Å; R172-Y176 VanDerWaalsContact O-N 3.17Å; R172-E202 IonicContact CZ-OE1 3.55Å; R172-E202 IonicContact NH2-OE1 2.89Å; R172-E202 PolarHBondContact NH2-OE1 3.26Å |
| 173 | M | 94.5 | Very high | 91.5 | Very high | 73 Ų | 73 | 65.9 Ų | 65.9 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 173.5 | -178.4 | 178.2 | -98.2 | 0 | 0 | 112.3 | K111 Y115 A170 P171 | K111-M173 HydrophobicContact CB-CG 4.3Å; K111-M173 WeakPolarHBondContact CD-O 3.11Å; K111-M173 WeakPolarHBondContact CG-O 3.31Å; K111-M173 PolarHBondContact NZ-O 2.94Å; Y115-M173 HydrophobicContact CD1-CE 3.81Å; Y115-M173 HydrophobicContact CD2-CB 3.75Å; Y115-M173 HydrophobicContact CE1-CE 4.23Å; Y115-M173 HydrophobicContact CE2-CB 4.46Å; Y115-M173 HydrophobicContact CG-CB 4Å; Y115-M173 HydrophobicContact CG-CE 4.06Å; A170-M173 WeakPolarHBondContact O-CB 3.37Å; A170-M173 PolarHBondContact O-N 2.88Å; A170-M173 VanDerWaalsContact O-N 3.12Å; P171-M173 VanDerWaalsContact C-N 3.35Å; P171-M173 PolarHBondContact O-N 2.78Å |
| 174 | H | 94.5 | Very high | 90.6 | Very high | 127 Ų | 127 | 68.4 Ų | 68.4 | 59% | 0.588 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71.3 | -49.2 | -178.9 | -175.2 | 72.1 | 0 | 0 | 0 | 112.1 | K111 A170 P171 R172 | K111-H174 PolarHBondContact NZ-O 3.31Å; A170-H174 PolarHBondContact O-N 3.39Å; P171-H174 PolarHBondContact O-N 3.11Å; P171-H174 VanDerWaalsContact O-N 3.12Å; R172-H174 VanDerWaalsContact C-N 3.31Å; R172-H174 PolarHBondContact O-N 3.09Å |
| 175 | Y | 93.8 | Very high | 90 | Very high | 46 Ų | 46 | 66.5 Ų | 66.5 | 18% | 0.18 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -83.5 | -22.9 | -171.2 | -67.5 | -64.6 | 0 | 0 | 0 | 114.7 | P171 N177 D190 V191 W192 P193 | P171-Y175 HydrophobicContact CB-CD2 4.14Å; P171-Y175 HydrophobicContact CB-CE2 4.17Å; P171-Y175 WeakPolarHBondContact O-CD2 3.49Å; P171-Y175 PolarHBondContact O-N 3.34Å; Y175-N177 PolarHBondContact O-ND2 3.21Å; Y175-D190 WeakPolarHBondContact O-CA 3.34Å; Y175-V191 VanDerWaalsContact CD1-O 3.31Å; Y175-V191 WeakPolarHBondContact CD1-O 3.31Å; Y175-V191 PolarHBondContact O-N 3Å; Y175-W192 HydrophobicContact CD1-CD2 4.22Å; Y175-W192 HydrophobicContact CD1-CE3 4.32Å; Y175-W192 HydrophobicContact CD1-CG 4.43Å; Y175-W192 AromaticContact CD2-CD2 3.69Å; Y175-W192 HydrophobicContact CD2-CD2 3.69Å; Y175-W192 AromaticContact CD2-CE2 3.66Å; Y175-W192 AromaticContact CD2-CE3 3.55Å; Y175-W192 HydrophobicContact CD2-CE3 3.55Å; Y175-W192 AromaticContact CD2-CH2 3.37Å; Y175-W192 HydrophobicContact CD2-CH2 3.37Å; Y175-W192 AromaticContact CD2-CZ2 3.52Å; Y175-W192 HydrophobicContact CD2-CZ2 3.52Å; Y175-W192 AromaticContact CD2-CZ3 3.4Å; Y175-W192 HydrophobicContact CD2-CZ3 3.4Å; Y175-W192 VanDerWaalsContact CD2-CZ3 3.4Å; Y175-W192 HydrophobicContact CE1-CE3 4.2Å; Y175-W192 HydrophobicContact CE2-CD2 4.06Å; Y175-W192 AromaticContact CE2-CE3 3.42Å; Y175-W192 HydrophobicContact CE2-CE3 3.42Å; Y175-W192 VanDerWaalsContact CE2-CE3 3.42Å; Y175-W192 AromaticContact CE2-CH2 3.55Å; Y175-W192 HydrophobicContact CE2-CH2 3.55Å; Y175-W192 HydrophobicContact CE2-CZ2 4.17Å; Y175-W192 AromaticContact CE2-CZ3 3.14Å; Y175-W192 HydrophobicContact CE2-CZ3 3.14Å; Y175-W192 AromaticContact CG-CD2 3.78Å; Y175-W192 HydrophobicContact CG-CD2 3.78Å; Y175-W192 AromaticContact CG-CE2 3.86Å; Y175-W192 HydrophobicContact CG-CE3 4.01Å; Y175-W192 HydrophobicContact CG-CG 4.26Å; Y175-W192 HydrophobicContact CG-CH2 4.36Å; Y175-W192 HydrophobicContact CG-CZ2 4.16Å; Y175-W192 HydrophobicContact CG-CZ3 4.31Å; Y175-W192 AromaticContact CZ-CE3 3.74Å; Y175-W192 AromaticContact CZ-CZ3 3.86Å; Y175-P193 HydrophobicContact CE1-CG 4.2Å |
| 176 | Y | 92.5 | Very high | 89.5 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 8% | 0.082 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 131.2 | 168.8 | -91.2 | -94.9 | 0 | 0 | 0 | 111 | K111 H114 R172 W189 D190 | K111-Y176 VanDerWaalsContact CE-O 3.31Å; K111-Y176 WeakPolarHBondContact CE-O 3.3Å; K111-Y176 VanDerWaalsContact CG-O 3.25Å; K111-Y176 WeakPolarHBondContact CG-O 3.36Å; K111-Y176 PolarHBondContact NZ-O 2.97Å; H114-Y176 HydrophobicContact CB-CD1 4.13Å; H114-Y176 HydrophobicContact CB-CD2 3.98Å; H114-Y176 HydrophobicContact CB-CE1 4.12Å; H114-Y176 HydrophobicContact CB-CE2 3.95Å; H114-Y176 HydrophobicContact CB-CG 4.04Å; H114-Y176 AromaticContact CD2-CD1 3.25Å; H114-Y176 WeakPolarHBondContact CD2-CD1 3.49Å; H114-Y176 AromaticContact CD2-CE1 3.16Å; H114-Y176 WeakPolarHBondContact CD2-CE1 3.16Å; H114-Y176 AromaticContact CD2-CZ 3.86Å; H114-Y176 AromaticContact CE1-CE1 3.69Å; H114-Y176 AromaticContact CG-CD1 3.73Å; H114-Y176 AromaticContact CG-CE1 3.43Å; H114-Y176 VanDerWaalsContact CG-CE1 3.43Å; H114-Y176 AromaticContact CG-CZ 3.61Å; H114-Y176 AromaticContact ND1-CE1 3.75Å; H114-Y176 AromaticContact ND1-CZ 3.73Å; H114-Y176 AromaticContact NE2-CD1 3.84Å; H114-Y176 AromaticContact NE2-CE1 3.36Å; H114-Y176 WeakPolarHBondContact NE2-CE1 3.26Å; R172-Y176 HydrophobicContact CG-CD2 3.71Å; R172-Y176 HydrophobicContact CG-CE2 3.73Å; R172-Y176 PolarHBondContact NH1-OH 3.05Å; R172-Y176 WeakPolarHBondContact O-CB 3.42Å; R172-Y176 VanDerWaalsContact O-CD2 3.31Å; R172-Y176 WeakPolarHBondContact O-CD2 3.48Å; R172-Y176 PolarHBondContact O-N 2.97Å; R172-Y176 VanDerWaalsContact O-N 3.17Å; Y176-W189 WeakPolarHBondContact CA-O 3.46Å; Y176-D190 HydrophobicContact CD1-CB 4.41Å; Y176-D190 HydrophobicContact CD2-CB 3.71Å; Y176-D190 HydrophobicContact CE1-CB 4.24Å; Y176-D190 HydrophobicContact CE2-CB 3.51Å; Y176-D190 HydrophobicContact CG-CB 4.18Å |
| 177 | N | 91.5 | Very high | 89 | Confident | 56 Ų | 56 | 68 Ų | 68 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 162.8 | 177.4 | -74.6 | -64 | 0 | 0 | 0 | 111.7 | K111 Y175 F179 W189 | K111-N177 VanDerWaalsContact CE-OD1 3.32Å; K111-N177 WeakPolarHBondContact CE-OD1 3.27Å; K111-N177 PolarHBondContact NZ-OD1 3.49Å; Y175-N177 PolarHBondContact O-ND2 3.21Å; N177-F179 HydrophobicContact CB-CE2 3.77Å; N177-F179 HydrophobicContact CB-CZ 3.99Å; N177-F179 WeakPolarHBondContact O-CD2 3.33Å; N177-W189 PolarHBondContact N-O 3.46Å; N177-W189 PolarHBondContact O-N 3.24Å; N177-W189 VanDerWaalsContact O-N 3.12Å |
| 178 | L | 91.1 | Very high | 88.6 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.5 | 172.9 | -175.1 | 68 | 0 | 0 | 0 | 109.3 | W103 A107 T186 Y187 | W103-L178 HydrophobicContact CB-CD1 4.44Å; W103-L178 HydrophobicContact CG-CD1 4.21Å; A107-L178 HydrophobicContact CB-CB 3.94Å; A107-L178 HydrophobicContact CB-CD2 4.43Å; L178-T186 HydrophobicContact CD1-CG2 4.39Å; L178-Y187 WeakPolarHBondContact CA-O 3.37Å |
| 179 | F | 87.6 | Confident | 88.2 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144.9 | 176.4 | -68.1 | -85.6 | 0 | 0 | 0 | 110.4 | N177 T186 Y187 W189 V191 | N177-F179 HydrophobicContact CB-CE2 3.77Å; N177-F179 HydrophobicContact CB-CZ 3.99Å; N177-F179 WeakPolarHBondContact O-CD2 3.33Å; F179-T186 CarbonylContact O-C 3.4Å; F179-T186 WeakPolarHBondContact O-CA 3.45Å; F179-Y187 PolarHBondContact N-O 3.35Å; F179-Y187 PolarHBondContact O-N 3.28Å; F179-W189 HydrophobicContact CD2-CB 4.19Å; F179-W189 HydrophobicContact CE2-CB 4.38Å; F179-V191 HydrophobicContact CE1-CG2 4.01Å; F179-V191 HydrophobicContact CE2-CB 4.43Å; F179-V191 HydrophobicContact CE2-CG2 3.52Å; F179-V191 HydrophobicContact CZ-CB 3.88Å; F179-V191 HydrophobicContact CZ-CG2 3.16Å |
| 180 | H | 85 | Confident | 87.8 | Confident | 145 Ų | 145 | 68.8 Ų | 68.8 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.2 | 175.2 | -60.8 | 79.6 | 0 | 0 | 0 | 108.3 | E185 | H180-E185 CarbonylContact C-O 3.5Å |
| 181 | G | 77.2 | Confident | 87.4 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | trans | -81.2 | 171.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | R183 E185 | G181-R183 VanDerWaalsContact C-N 3.25Å; G181-R183 PolarHBondContact O-N 3.11Å; G181-R183 VanDerWaalsContact O-N 3.16Å; G181-E185 PolarHBondContact N-O 2.98Å | ||
| 182 | G | 71.9 | Confident | 87.1 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 95% | 0.948 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 183 | R | 74.3 | Confident | 86.9 | Confident | 202 Ų | 202 | 73.5 Ų | 73.5 | 76% | 0.762 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 34.6 | -177.7 | -66.5 | -175.4 | -178.6 | 166.5 | 3.1 | 113.9 | G181 E185 | G181-R183 VanDerWaalsContact C-N 3.25Å; G181-R183 PolarHBondContact O-N 3.11Å; G181-R183 VanDerWaalsContact O-N 3.16Å; R183-E185 HydrophobicContact CB-CG 4.28Å; R183-E185 PolarHBondContact O-N 3.12Å |
| 184 | N | 78.4 | Confident | 86.7 | Confident | 165 Ų | 165 | 72.9 Ų | 72.9 | 88% | 0.882 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 59.3 | 17.4 | -169 | -79 | -11.6 | 0 | 0 | 0 | 114.1 | ||
| 185 | E | 85.1 | Confident | 86.5 | Confident | 48 Ų | 48 | 70.5 Ų | 70.5 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | trans | -81.9 | 144.7 | 173.9 | -62.5 | -172.1 | -177.9 | 0 | 0 | 109.5 | T102 H180 G181 R183 Y187 | T102-E185 HydrophobicContact CG2-CB 3.75Å; T102-E185 HydrophobicContact CG2-CG 3.67Å; H180-E185 CarbonylContact C-O 3.5Å; G181-E185 PolarHBondContact N-O 2.98Å; R183-E185 HydrophobicContact CB-CG 4.28Å; R183-E185 PolarHBondContact O-N 3.12Å; E185-Y187 HydrophobicContact CB-CE1 4.45Å; E185-Y187 HydrophobicContact CB-CE2 4.26Å; E185-Y187 PolarHBondContact OE2-OH 3.18Å | ||
| 186 | T | 87.5 | Confident | 86.4 | Confident | 23 Ų | 23 | 73.2 Ų | 73.2 | 14% | 0.141 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.2 | 179 | 41.2 | 0 | 0 | 0 | 0 | 110.1 | W103 L178 F179 | W103-T186 WeakPolarHBondContact CB-O 3.49Å; W103-T186 PolarHBondContact N-O 3.45Å; W103-T186 WeakPolarHBondContact O-CB 3.31Å; W103-T186 PolarHBondContact O-OG1 2.89Å; L178-T186 HydrophobicContact CD1-CG2 4.39Å; F179-T186 CarbonylContact O-C 3.4Å; F179-T186 WeakPolarHBondContact O-CA 3.45Å |
| 187 | Y | 87 | Confident | 86.4 | Confident | 69 Ų | 69 | 77 Ų | 77 | 27% | 0.271 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.2 | -179.5 | -48.2 | -76.6 | 0 | 0 | 0 | 110.9 | L178 F179 E185 | L178-Y187 WeakPolarHBondContact CA-O 3.37Å; F179-Y187 PolarHBondContact N-O 3.35Å; F179-Y187 PolarHBondContact O-N 3.28Å; E185-Y187 HydrophobicContact CB-CE1 4.45Å; E185-Y187 HydrophobicContact CB-CE2 4.26Å; E185-Y187 PolarHBondContact OE2-OH 3.18Å |
| 188 | C | 89.9 | Confident | 86.4 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 111.5 | 172.4 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | W103 C110 H114 | W103-C188 HydrophobicContact CB-CB 4.39Å; W103-C188 HydrophobicContact CD2-CB 3.92Å; W103-C188 HydrophobicContact CE3-CB 4.3Å; W103-C188 HydrophobicContact CG-CB 3.94Å; C110-C188 WeakPolarHBondContact CA-SG 3.26Å; C110-C188 HydrophobicContact CB-CB 3.8Å; C110-C188 WeakPolarHBondContact CB-SG 3.33Å; C110-C188 VanDerWaalsContact SG-CA 3.53Å; C110-C188 WeakPolarHBondContact SG-CB 3.31Å; C110-C188 CovalentContact SG-SG 2.02Å; C110-C188 PolarHBondContact SG-SG 3.43Å; H114-C188 VanDerWaalsContact CD2-SG 3.55Å |
| 189 | W | 88.4 | Confident | 86.5 | Confident | 91 Ų | 91 | 75.9 Ų | 75.9 | 35% | 0.345 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 154.8 | -173.9 | -161.1 | -97.3 | 0 | 0 | 0 | 112.2 | Y176 N177 F179 | Y176-W189 WeakPolarHBondContact CA-O 3.46Å; N177-W189 PolarHBondContact N-O 3.46Å; N177-W189 PolarHBondContact O-N 3.24Å; N177-W189 VanDerWaalsContact O-N 3.12Å; F179-W189 HydrophobicContact CD2-CB 4.19Å; F179-W189 HydrophobicContact CE2-CB 4.38Å |
| 190 | D | 87.8 | Confident | 86.8 | Confident | 15 Ų | 15 | 76.4 Ų | 76.4 | 8% | 0.08 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.2 | 175 | 67 | -61.4 | 0 | 0 | 0 | 112.4 | Y175 Y176 W192 K198 | Y175-D190 WeakPolarHBondContact O-CA 3.34Å; Y176-D190 HydrophobicContact CD1-CB 4.41Å; Y176-D190 HydrophobicContact CD2-CB 3.71Å; Y176-D190 HydrophobicContact CE1-CB 4.24Å; Y176-D190 HydrophobicContact CE2-CB 3.51Å; Y176-D190 HydrophobicContact CG-CB 4.18Å; D190-W192 PolarHBondContact OD2-NE1 2.93Å; D190-K198 WeakPolarHBondContact OD2-CE 3.49Å; D190-K198 IonicContact OD2-NZ 3.96Å |
| 191 | V | 88.1 | Confident | 87.3 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 42% | 0.418 | 38% | 0.378 | S | S | . | . | trans | -122.7 | 108.3 | 178.4 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | Y175 F179 | Y175-V191 VanDerWaalsContact CD1-O 3.31Å; Y175-V191 WeakPolarHBondContact CD1-O 3.31Å; Y175-V191 PolarHBondContact O-N 3Å; F179-V191 HydrophobicContact CE1-CG2 4.01Å; F179-V191 HydrophobicContact CE2-CB 4.43Å; F179-V191 HydrophobicContact CE2-CG2 3.52Å; F179-V191 HydrophobicContact CZ-CB 3.88Å; F179-V191 HydrophobicContact CZ-CG2 3.16Å | ||
| 192 | W | 89.5 | Confident | 88 | Confident | 18 Ų | 18 | 69.7 Ų | 69.7 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | trans | -97.5 | 122.1 | 176.8 | -67.4 | 77.6 | 0 | 0 | 0 | 109.6 | P171 Y175 D190 N194 H197 K198 Y201 | P171-W192 HydrophobicContact CB-CH2 3.94Å; Y175-W192 HydrophobicContact CD1-CD2 4.22Å; Y175-W192 HydrophobicContact CD1-CE3 4.32Å; Y175-W192 HydrophobicContact CD1-CG 4.43Å; Y175-W192 AromaticContact CD2-CD2 3.69Å; Y175-W192 HydrophobicContact CD2-CD2 3.69Å; Y175-W192 AromaticContact CD2-CE2 3.66Å; Y175-W192 AromaticContact CD2-CE3 3.55Å; Y175-W192 HydrophobicContact CD2-CE3 3.55Å; Y175-W192 AromaticContact CD2-CH2 3.37Å; Y175-W192 HydrophobicContact CD2-CH2 3.37Å; Y175-W192 AromaticContact CD2-CZ2 3.52Å; Y175-W192 HydrophobicContact CD2-CZ2 3.52Å; Y175-W192 AromaticContact CD2-CZ3 3.4Å; Y175-W192 HydrophobicContact CD2-CZ3 3.4Å; Y175-W192 VanDerWaalsContact CD2-CZ3 3.4Å; Y175-W192 HydrophobicContact CE1-CE3 4.2Å; Y175-W192 HydrophobicContact CE2-CD2 4.06Å; Y175-W192 AromaticContact CE2-CE3 3.42Å; Y175-W192 HydrophobicContact CE2-CE3 3.42Å; Y175-W192 VanDerWaalsContact CE2-CE3 3.42Å; Y175-W192 AromaticContact CE2-CH2 3.55Å; Y175-W192 HydrophobicContact CE2-CH2 3.55Å; Y175-W192 HydrophobicContact CE2-CZ2 4.17Å; Y175-W192 AromaticContact CE2-CZ3 3.14Å; Y175-W192 HydrophobicContact CE2-CZ3 3.14Å; Y175-W192 AromaticContact CG-CD2 3.78Å; Y175-W192 HydrophobicContact CG-CD2 3.78Å; Y175-W192 AromaticContact CG-CE2 3.86Å; Y175-W192 HydrophobicContact CG-CE3 4.01Å; Y175-W192 HydrophobicContact CG-CG 4.26Å; Y175-W192 HydrophobicContact CG-CH2 4.36Å; Y175-W192 HydrophobicContact CG-CZ2 4.16Å; Y175-W192 HydrophobicContact CG-CZ3 4.31Å; Y175-W192 AromaticContact CZ-CE3 3.74Å; Y175-W192 AromaticContact CZ-CZ3 3.86Å; D190-W192 PolarHBondContact OD2-NE1 2.93Å; W192-N194 PolarHBondContact O-N 2.92Å; W192-H197 HydrophobicContact CE3-CB 4Å; W192-H197 HydrophobicContact CZ3-CB 4.18Å; W192-K198 HydrophobicContact CB-CB 3.93Å; W192-K198 HydrophobicContact CB-CD 4.44Å; W192-K198 HydrophobicContact CD2-CB 3.65Å; W192-K198 HydrophobicContact CD2-CG 3.96Å; W192-K198 HydrophobicContact CE3-CB 4.03Å; W192-K198 HydrophobicContact CG-CB 3.59Å; W192-K198 HydrophobicContact CG-CD 4.01Å; W192-K198 HydrophobicContact CG-CG 3.82Å; W192-Y201 VanDerWaalsContact CH2-CB 3.46Å; W192-Y201 AromaticContact CH2-CD1 3.72Å; W192-Y201 HydrophobicContact CH2-CD1 3.72Å; W192-Y201 HydrophobicContact CH2-CD2 4.06Å; W192-Y201 AromaticContact CH2-CG 3.45Å; W192-Y201 HydrophobicContact CH2-CG 3.45Å; W192-Y201 VanDerWaalsContact CH2-CG 3.45Å; W192-Y201 AromaticContact CZ2-CD1 3.7Å; W192-Y201 HydrophobicContact CZ2-CD1 3.7Å; W192-Y201 HydrophobicContact CZ2-CE1 4.31Å; W192-Y201 AromaticContact CZ2-CG 3.96Å; W192-Y201 HydrophobicContact CZ2-CG 3.96Å; W192-Y201 HydrophobicContact CZ3-CG 4.42Å | ||
| 193 | P | 89.3 | Confident | 89.1 | Confident | 118 Ų | 118 | 68 Ų | 68 | 77% | 0.766 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -59.6 | -32.2 | 177.1 | -24.2 | 33.2 | 0 | 0 | 0 | 112.8 | Y175 | Y175-P193 HydrophobicContact CE1-CG 4.2Š|
| 194 | N | 91.1 | Very high | 90.1 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | trans | -126.2 | 118.7 | 177.6 | -174.5 | -12 | 0 | 0 | 0 | 109.9 | W192 N196 H197 K198 | W192-N194 PolarHBondContact O-N 2.92Å; N194-N196 PolarHBondContact O-N 3.33Å; N194-N196 WeakPolarHBondContact OD1-CB 3.23Å; N194-N196 PolarHBondContact OD1-N 2.9Å; N194-H197 HydrophobicContact CB-CB 4.37Å; N194-H197 WeakPolarHBondContact O-CB 3.42Å; N194-H197 PolarHBondContact O-N 3.49Å; N194-K198 PolarHBondContact O-N 3.44Å | ||
| 195 | Q | 89.2 | Confident | 90.9 | Very high | 77 Ų | 77 | 53.5 Ų | 53.5 | 36% | 0.36 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -28.4 | 178.8 | -66.2 | -62.6 | -19 | 0 | 0 | 112.6 | H197 K198 K199 | Q195-H197 VanDerWaalsContact C-N 3.3Å; Q195-H197 PolarHBondContact O-N 3.5Å; Q195-K198 WeakPolarHBondContact O-CB 3.22Å; Q195-K198 PolarHBondContact O-N 3.41Å; Q195-K199 WeakPolarHBondContact O-CG 3.2Å; Q195-K199 PolarHBondContact O-N 2.92Å |
| 196 | N | 91.9 | Very high | 91.4 | Very high | 103 Ų | 103 | 53.7 Ų | 53.7 | 55% | 0.551 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66 | -34.8 | 173.9 | -68.1 | -21 | 0 | 0 | 0 | 111.6 | N194 K199 V200 | N194-N196 PolarHBondContact O-N 3.33Å; N194-N196 WeakPolarHBondContact OD1-CB 3.23Å; N194-N196 PolarHBondContact OD1-N 2.9Å; N196-K199 PolarHBondContact O-N 3.38Å; N196-V200 WeakPolarHBondContact O-CB 3.45Å; N196-V200 VanDerWaalsContact O-CG2 3.23Å; N196-V200 WeakPolarHBondContact O-CG2 3.1Å; N196-V200 PolarHBondContact O-N 3.24Å |
| 197 | H | 92.8 | Very high | 91.7 | Very high | 102 Ų | 102 | 55.2 Ų | 55.2 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 175.6 | -64.4 | 175.1 | 0 | 0 | 0 | 111.4 | W192 N194 Q195 V200 Y201 | W192-H197 HydrophobicContact CE3-CB 4Å; W192-H197 HydrophobicContact CZ3-CB 4.18Å; N194-H197 HydrophobicContact CB-CB 4.37Å; N194-H197 WeakPolarHBondContact O-CB 3.42Å; N194-H197 PolarHBondContact O-N 3.49Å; Q195-H197 VanDerWaalsContact C-N 3.3Å; Q195-H197 PolarHBondContact O-N 3.5Å; H197-V200 PolarHBondContact O-N 3.27Å; H197-Y201 WeakPolarHBondContact O-CB 3.48Å; H197-Y201 PolarHBondContact O-N 2.94Å |
| 198 | K | 91.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -51.7 | 173.4 | -170.8 | 179.6 | -174 | -166.3 | 0 | 111 | E5 D190 W192 N194 Q195 V200 Y201 E202 E272 | E5-K198 IonicContact OE1-NZ 3.41Å; D190-K198 WeakPolarHBondContact OD2-CE 3.49Å; D190-K198 IonicContact OD2-NZ 3.96Å; W192-K198 HydrophobicContact CB-CB 3.93Å; W192-K198 HydrophobicContact CB-CD 4.44Å; W192-K198 HydrophobicContact CD2-CB 3.65Å; W192-K198 HydrophobicContact CD2-CG 3.96Å; W192-K198 HydrophobicContact CE3-CB 4.03Å; W192-K198 HydrophobicContact CG-CB 3.59Å; W192-K198 HydrophobicContact CG-CD 4.01Å; W192-K198 HydrophobicContact CG-CG 3.82Å; N194-K198 PolarHBondContact O-N 3.44Å; Q195-K198 WeakPolarHBondContact O-CB 3.22Å; Q195-K198 PolarHBondContact O-N 3.41Å; K198-V200 PolarHBondContact O-N 3.13Å; K198-Y201 WeakPolarHBondContact O-CB 3.4Å; K198-Y201 PolarHBondContact O-N 3.28Å; K198-Y201 VanDerWaalsContact O-N 3.12Å; K198-E202 WeakPolarHBondContact O-CG 3.39Å; K198-E202 PolarHBondContact O-N 3.19Å; K198-E272 WeakPolarHBondContact CD-OE2 3.28Å; K198-E272 WeakPolarHBondContact CE-OE1 3.29Å; K198-E272 IonicContact NZ-OE1 2.65Å; K198-E272 PolarHBondContact NZ-OE1 3.42Å; K198-E272 IonicContact NZ-OE2 2.84Å |
| 199 | K | 92.6 | Very high | 92.2 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57 | -47.4 | 177.5 | -73.1 | 180 | -172.6 | -154 | 0 | 112.7 | Q195 N196 Y201 E202 V203 E272 F273 | Q195-K199 WeakPolarHBondContact O-CG 3.2Å; Q195-K199 PolarHBondContact O-N 2.92Å; N196-K199 PolarHBondContact O-N 3.38Å; K199-Y201 VanDerWaalsContact C-N 3.32Å; K199-Y201 PolarHBondContact O-N 2.93Å; K199-E202 PolarHBondContact O-N 3.28Å; K199-V203 WeakPolarHBondContact O-CB 3.48Å; K199-V203 VanDerWaalsContact O-CG2 3.32Å; K199-V203 WeakPolarHBondContact O-CG2 3.26Å; K199-V203 PolarHBondContact O-N 3.02Å; K199-E272 WeakPolarHBondContact CE-O 3.38Å; K199-E272 HydrophobicContact CG-CB 4.35Å; K199-E272 PolarHBondContact NZ-O 3.42Å; K199-F273 HydrophobicContact CB-CE1 4.08Å; K199-F273 HydrophobicContact CB-CE2 4.37Å; K199-F273 HydrophobicContact CB-CZ 3.66Å; K199-F273 HydrophobicContact CD-CD1 4.31Å; K199-F273 HydrophobicContact CD-CE1 3.92Å; K199-F273 HydrophobicContact CD-CZ 4.26Å; K199-F273 HydrophobicContact CG-CE1 4.13Å; K199-F273 HydrophobicContact CG-CE2 4.38Å; K199-F273 HydrophobicContact CG-CZ 3.94Å |
| 200 | V | 94.8 | Very high | 92.4 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.5 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | N196 H197 K198 V203 C204 | N196-V200 WeakPolarHBondContact O-CB 3.45Å; N196-V200 VanDerWaalsContact O-CG2 3.23Å; N196-V200 WeakPolarHBondContact O-CG2 3.1Å; N196-V200 PolarHBondContact O-N 3.24Å; H197-V200 PolarHBondContact O-N 3.27Å; K198-V200 PolarHBondContact O-N 3.13Å; V200-V203 PolarHBondContact O-N 3.2Å; V200-C204 WeakPolarHBondContact O-CB 2.94Å; V200-C204 PolarHBondContact O-N 2.89Å; V200-C204 PolarHBondContact O-SG 3.45Å |
| 201 | Y | 94.8 | Very high | 92.6 | Very high | 22 Ų | 22 | 54 Ų | 54 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 178.2 | 175.4 | -97.9 | 0 | 0 | 0 | 112.8 | M168 P171 W192 H197 K198 K199 C204 T205 | M168-Y201 WeakPolarHBondContact O-CE2 3.32Å; P171-Y201 HydrophobicContact CB-CD2 3.87Å; P171-Y201 HydrophobicContact CB-CE2 3.72Å; P171-Y201 HydrophobicContact CG-CD2 3.9Å; P171-Y201 HydrophobicContact CG-CE2 3.7Å; W192-Y201 VanDerWaalsContact CH2-CB 3.46Å; W192-Y201 AromaticContact CH2-CD1 3.72Å; W192-Y201 HydrophobicContact CH2-CD1 3.72Å; W192-Y201 HydrophobicContact CH2-CD2 4.06Å; W192-Y201 AromaticContact CH2-CG 3.45Å; W192-Y201 HydrophobicContact CH2-CG 3.45Å; W192-Y201 VanDerWaalsContact CH2-CG 3.45Å; W192-Y201 AromaticContact CZ2-CD1 3.7Å; W192-Y201 HydrophobicContact CZ2-CD1 3.7Å; W192-Y201 HydrophobicContact CZ2-CE1 4.31Å; W192-Y201 AromaticContact CZ2-CG 3.96Å; W192-Y201 HydrophobicContact CZ2-CG 3.96Å; W192-Y201 HydrophobicContact CZ3-CG 4.42Å; H197-Y201 WeakPolarHBondContact O-CB 3.48Å; H197-Y201 PolarHBondContact O-N 2.94Å; K198-Y201 WeakPolarHBondContact O-CB 3.4Å; K198-Y201 PolarHBondContact O-N 3.28Å; K198-Y201 VanDerWaalsContact O-N 3.12Å; K199-Y201 VanDerWaalsContact C-N 3.32Å; K199-Y201 PolarHBondContact O-N 2.93Å; Y201-C204 PolarHBondContact O-N 3.44Å; Y201-T205 WeakPolarHBondContact O-CB 3.46Å; Y201-T205 PolarHBondContact O-N 3.39Å; Y201-T205 PolarHBondContact O-OG1 2.99Å |
| 202 | E | 93.1 | Very high | 93 | Very high | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 178.3 | -66.6 | -61.6 | 151.5 | 0 | 0 | 111.2 | R172 K198 K199 T205 F206 Q268 E272 | R172-E202 IonicContact CZ-OE1 3.55Å; R172-E202 IonicContact NH2-OE1 2.89Å; R172-E202 PolarHBondContact NH2-OE1 3.26Å; K198-E202 WeakPolarHBondContact O-CG 3.39Å; K198-E202 PolarHBondContact O-N 3.19Å; K199-E202 PolarHBondContact O-N 3.28Å; E202-T205 PolarHBondContact O-N 2.91Å; E202-F206 WeakPolarHBondContact O-CB 3.39Å; E202-F206 PolarHBondContact O-N 3.34Å; E202-Q268 PolarHBondContact OE2-NE2 2.95Å; E202-E272 HydrophobicContact CG-CG 4.26Å |
| 203 | V | 95.2 | Very high | 93.1 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 172.9 | 171 | 0 | 0 | 0 | 0 | 111.6 | K199 V200 T205 F206 V207 L269 F273 | K199-V203 WeakPolarHBondContact O-CB 3.48Å; K199-V203 VanDerWaalsContact O-CG2 3.32Å; K199-V203 WeakPolarHBondContact O-CG2 3.26Å; K199-V203 PolarHBondContact O-N 3.02Å; V200-V203 PolarHBondContact O-N 3.2Å; V203-T205 VanDerWaalsContact C-N 3.31Å; V203-T205 PolarHBondContact O-N 2.94Å; V203-F206 PolarHBondContact O-N 3.44Å; V203-V207 HydrophobicContact CG1-CG2 4.26Å; V203-V207 WeakPolarHBondContact O-CB 3.4Å; V203-V207 VanDerWaalsContact O-CG2 3.32Å; V203-V207 WeakPolarHBondContact O-CG2 3.05Å; V203-V207 PolarHBondContact O-N 3.12Å; V203-L269 HydrophobicContact CG2-CD2 4.28Å; V203-F273 HydrophobicContact CG2-CE2 3.74Å; V203-F273 HydrophobicContact CG2-CZ 3.48Å; V203-F273 VanDerWaalsContact CG2-CZ 3.48Å |
| 204 | C | 95.2 | Very high | 93.3 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 35% | 0.345 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.7 | -73.4 | 0 | 0 | 0 | 0 | 110.9 | V200 Y201 F206 V207 F208 | V200-C204 WeakPolarHBondContact O-CB 2.94Å; V200-C204 PolarHBondContact O-N 2.89Å; V200-C204 PolarHBondContact O-SG 3.45Å; Y201-C204 PolarHBondContact O-N 3.44Å; C204-F206 VanDerWaalsContact C-N 3.34Å; C204-F206 PolarHBondContact O-N 2.84Å; C204-V207 PolarHBondContact O-N 3.48Å; C204-F208 HydrophobicContact CB-CD2 4.3Å; C204-F208 WeakPolarHBondContact O-CB 3.41Å; C204-F208 VanDerWaalsContact O-CD2 3.22Å; C204-F208 WeakPolarHBondContact O-CD2 3.34Å; C204-F208 PolarHBondContact O-N 2.96Å |
| 205 | T | 93.9 | Very high | 93.4 | Very high | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | M121 Y201 E202 V203 G209 | M121-T205 HydrophobicContact CE-CG2 3.69Å; Y201-T205 WeakPolarHBondContact O-CB 3.46Å; Y201-T205 PolarHBondContact O-N 3.39Å; Y201-T205 PolarHBondContact O-OG1 2.99Å; E202-T205 PolarHBondContact O-N 2.91Å; V203-T205 VanDerWaalsContact C-N 3.31Å; V203-T205 PolarHBondContact O-N 2.94Å; T205-G209 WeakPolarHBondContact O-CA 3.43Å; T205-G209 PolarHBondContact O-N 2.71Å |
| 206 | F | 95.1 | Very high | 93.6 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 23% | 0.228 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 173.9 | 177.3 | -115.7 | 0 | 0 | 0 | 112.7 | E202 V203 C204 Y210 V211 H265 L269 | E202-F206 WeakPolarHBondContact O-CB 3.39Å; E202-F206 PolarHBondContact O-N 3.34Å; V203-F206 PolarHBondContact O-N 3.44Å; C204-F206 VanDerWaalsContact C-N 3.34Å; C204-F206 PolarHBondContact O-N 2.84Å; F206-Y210 HydrophobicContact CD2-CD1 4.19Å; F206-Y210 HydrophobicContact CD2-CG 4.34Å; F206-Y210 AromaticContact CE2-CD1 3.53Å; F206-Y210 HydrophobicContact CE2-CD1 3.53Å; F206-Y210 HydrophobicContact CE2-CE1 4.21Å; F206-Y210 HydrophobicContact CE2-CG 4.1Å; F206-Y210 HydrophobicContact CZ-CD1 4.16Å; F206-Y210 WeakPolarHBondContact O-CA 3.39Å; F206-Y210 WeakPolarHBondContact O-CB 3.44Å; F206-Y210 PolarHBondContact O-N 2.79Å; F206-V211 HydrophobicContact CD1-CG2 3.94Å; F206-V211 HydrophobicContact CE1-CG2 3.48Å; F206-V211 VanDerWaalsContact CE1-CG2 3.48Å; F206-V211 HydrophobicContact CE2-CG2 4.23Å; F206-V211 HydrophobicContact CG-CG2 4.49Å; F206-V211 HydrophobicContact CZ-CG2 3.66Å; F206-V211 PolarHBondContact O-N 2.99Å; F206-H265 HydrophobicContact CD2-CB 3.68Å; F206-H265 AromaticContact CD2-CG 3.75Å; F206-H265 HydrophobicContact CE2-CB 4.01Å; F206-L269 HydrophobicContact CB-CD1 4.38Å; F206-L269 HydrophobicContact CD1-CD1 3.9Å; F206-L269 HydrophobicContact CD2-CD1 4.12Å; F206-L269 HydrophobicContact CE1-CD1 4.14Å; F206-L269 HydrophobicContact CE2-CD1 4.35Å; F206-L269 HydrophobicContact CG-CD1 3.87Å; F206-L269 HydrophobicContact CZ-CD1 4.36Å |
| 207 | V | 95.8 | Very high | 93.6 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -66.1 | -50.6 | -178.1 | 170 | 0 | 0 | 0 | 0 | 111.2 | V203 C204 V211 L212 | V203-V207 HydrophobicContact CG1-CG2 4.26Å; V203-V207 WeakPolarHBondContact O-CB 3.4Å; V203-V207 VanDerWaalsContact O-CG2 3.32Å; V203-V207 WeakPolarHBondContact O-CG2 3.05Å; V203-V207 PolarHBondContact O-N 3.12Å; C204-V207 PolarHBondContact O-N 3.48Å; V207-V211 PolarHBondContact O-N 3.17Å; V207-L212 WeakPolarHBondContact O-CB 3.33Å; V207-L212 PolarHBondContact O-N 2.97Å |
| 208 | F | 94.4 | Very high | 93.5 | Very high | 95 Ų | 95 | 46.2 Ų | 46.2 | 42% | 0.417 | 25% | 0.25 | S | C | . | . | I | π-helix | trans | -82.9 | -32 | -176.1 | -68.9 | -71.5 | 0 | 0 | 0 | 113.2 | F126 M168 C204 P213 | F126-F208 WeakPolarHBondContact CE1-O 3.44Å; M168-F208 HydrophobicContact CE-CB 3.31Å; M168-F208 HydrophobicContact CE-CD2 4.11Å; M168-F208 HydrophobicContact CE-CG 3.88Å; C204-F208 HydrophobicContact CB-CD2 4.3Å; C204-F208 WeakPolarHBondContact O-CB 3.41Å; C204-F208 VanDerWaalsContact O-CD2 3.22Å; C204-F208 WeakPolarHBondContact O-CD2 3.34Å; C204-F208 PolarHBondContact O-N 2.96Å; F208-P213 WeakPolarHBondContact O-CD 3.29Å; F208-P213 WeakPolarHBondContact O-CG 3.18Å |
| 209 | G | 91.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -86.5 | -14 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T205 | T205-G209 WeakPolarHBondContact O-CA 3.43Å; T205-G209 PolarHBondContact O-N 2.71Å |
| 210 | Y | 91.9 | Very high | 93.5 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -135.5 | -63.6 | -177.2 | -168.1 | -97.3 | 0 | 0 | 0 | 113.1 | F206 L214 C258 W261 L262 H265 | F206-Y210 HydrophobicContact CD2-CD1 4.19Å; F206-Y210 HydrophobicContact CD2-CG 4.34Å; F206-Y210 AromaticContact CE2-CD1 3.53Å; F206-Y210 HydrophobicContact CE2-CD1 3.53Å; F206-Y210 HydrophobicContact CE2-CE1 4.21Å; F206-Y210 HydrophobicContact CE2-CG 4.1Å; F206-Y210 HydrophobicContact CZ-CD1 4.16Å; F206-Y210 WeakPolarHBondContact O-CA 3.39Å; F206-Y210 WeakPolarHBondContact O-CB 3.44Å; F206-Y210 PolarHBondContact O-N 2.79Å; Y210-L214 HydrophobicContact CD1-CD1 3.74Å; Y210-L214 HydrophobicContact CD2-CD1 4.36Å; Y210-L214 HydrophobicContact CE1-CD1 3.34Å; Y210-L214 HydrophobicContact CE2-CD1 4.03Å; Y210-L214 HydrophobicContact CG-CD1 4.21Å; Y210-L214 VanDerWaalsContact CZ-CD1 3.47Å; Y210-L214 VanDerWaalsContact O-CB 3.27Å; Y210-L214 WeakPolarHBondContact O-CB 3.15Å; Y210-L214 WeakPolarHBondContact O-CG 3.49Å; Y210-L214 PolarHBondContact O-N 2.95Å; Y210-L214 VanDerWaalsContact O-N 3.1Å; Y210-C258 HydrophobicContact CE2-CB 4.13Å; Y210-C258 PolarHBondContact OH-O 3.44Å; Y210-W261 HydrophobicContact CD2-CB 4.5Å; Y210-L262 HydrophobicContact CE1-CD1 4.02Å; Y210-L262 HydrophobicContact CE2-CB 4.2Å; Y210-L262 WeakPolarHBondContact OH-CB 3.44Å; Y210-H265 AromaticContact CD2-CD2 3.66Å; Y210-H265 AromaticContact CG-CD2 3.83Å |
| 211 | V | 94 | Very high | 93.1 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 29% | 0.291 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -66.6 | -54.4 | -168.8 | 179.1 | 0 | 0 | 0 | 0 | 113.2 | F206 V207 L214 L215 | F206-V211 HydrophobicContact CD1-CG2 3.94Å; F206-V211 HydrophobicContact CE1-CG2 3.48Å; F206-V211 VanDerWaalsContact CE1-CG2 3.48Å; F206-V211 HydrophobicContact CE2-CG2 4.23Å; F206-V211 HydrophobicContact CG-CG2 4.49Å; F206-V211 HydrophobicContact CZ-CG2 3.66Å; F206-V211 PolarHBondContact O-N 2.99Å; V207-V211 PolarHBondContact O-N 3.17Å; V211-L214 WeakPolarHBondContact O-CB 3.4Å; V211-L214 PolarHBondContact O-N 3.17Å; V211-L215 HydrophobicContact CG1-CD1 4.02Å; V211-L215 HydrophobicContact CG1-CG 4.41Å; V211-L215 WeakPolarHBondContact O-CG 3.29Å; V211-L215 PolarHBondContact O-N 3.35Å |
| 212 | L | 94.6 | Very high | 92.8 | Very high | 90 Ų | 90 | 45.5 Ų | 45.5 | 47% | 0.471 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.4 | -44.6 | -175.8 | -179.2 | 144.6 | 0 | 0 | 0 | 112.3 | V207 L214 L215 L216 | V207-L212 WeakPolarHBondContact O-CB 3.33Å; V207-L212 PolarHBondContact O-N 2.97Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-L214 PolarHBondContact O-N 3.14Å; L212-L215 PolarHBondContact O-N 3.19Å; L212-L216 PolarHBondContact O-N 3.4Å |
| 213 | P | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.7 | -44.6 | 169.8 | -29.4 | 37.2 | 0 | 0 | 0 | 113.4 | I125 F126 S129 F208 L215 L216 I217 | I125-P213 HydrophobicContact CD1-CB 3.68Å; I125-P213 HydrophobicContact CG1-CB 3.31Å; I125-P213 HydrophobicContact CG1-CG 3.62Å; I125-P213 HydrophobicContact CG2-CG 4.39Å; F126-P213 HydrophobicContact CD1-CG 4.47Å; F126-P213 HydrophobicContact CE1-CG 4.32Å; S129-P213 WeakPolarHBondContact OG-CB 3.21Å; F208-P213 WeakPolarHBondContact O-CD 3.29Å; F208-P213 WeakPolarHBondContact O-CG 3.18Å; P213-L215 PolarHBondContact O-N 3.43Å; P213-L216 PolarHBondContact O-N 3.21Å; P213-I217 WeakPolarHBondContact O-CB 3.39Å; P213-I217 WeakPolarHBondContact O-CD1 3.32Å; P213-I217 WeakPolarHBondContact O-CG1 3.39Å; P213-I217 PolarHBondContact O-N 3.49Å |
| 214 | L | 91.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 178.7 | -93.3 | 174.6 | 0 | 0 | 0 | 113 | Y210 V211 L212 I217 S218 V254 C258 | Y210-L214 HydrophobicContact CD1-CD1 3.74Å; Y210-L214 HydrophobicContact CD2-CD1 4.36Å; Y210-L214 HydrophobicContact CE1-CD1 3.34Å; Y210-L214 HydrophobicContact CE2-CD1 4.03Å; Y210-L214 HydrophobicContact CG-CD1 4.21Å; Y210-L214 VanDerWaalsContact CZ-CD1 3.47Å; Y210-L214 VanDerWaalsContact O-CB 3.27Å; Y210-L214 WeakPolarHBondContact O-CB 3.15Å; Y210-L214 WeakPolarHBondContact O-CG 3.49Å; Y210-L214 PolarHBondContact O-N 2.95Å; Y210-L214 VanDerWaalsContact O-N 3.1Å; V211-L214 WeakPolarHBondContact O-CB 3.4Å; V211-L214 PolarHBondContact O-N 3.17Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-L214 PolarHBondContact O-N 3.14Å; L214-I217 PolarHBondContact O-N 3.43Å; L214-S218 WeakPolarHBondContact O-CB 3.26Å; L214-S218 PolarHBondContact O-N 3.41Å; L214-S218 PolarHBondContact O-OG 2.91Å; L214-V254 HydrophobicContact CD2-CG1 4.34Å; L214-C258 HydrophobicContact CD1-CB 4.47Å; L214-C258 HydrophobicContact CD2-CB 4.34Å; L214-C258 WeakPolarHBondContact CD2-SG 3.44Å |
| 215 | L | 93.7 | Very high | 91.6 | Very high | 117 Ų | 117 | 48.2 Ų | 48.2 | 61% | 0.613 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 176.5 | -69.2 | 174.3 | 0 | 0 | 0 | 111.2 | V211 L212 P213 S218 F219 | V211-L215 HydrophobicContact CG1-CD1 4.02Å; V211-L215 HydrophobicContact CG1-CG 4.41Å; V211-L215 WeakPolarHBondContact O-CG 3.29Å; V211-L215 PolarHBondContact O-N 3.35Å; L212-L215 PolarHBondContact O-N 3.19Å; P213-L215 PolarHBondContact O-N 3.43Å; L215-S218 PolarHBondContact O-N 3.41Å; L215-F219 VanDerWaalsContact O-CB 3.29Å; L215-F219 WeakPolarHBondContact O-CB 3.46Å; L215-F219 PolarHBondContact O-N 2.98Å |
| 216 | L | 94.6 | Very high | 91.2 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 36% | 0.356 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -49 | 176.9 | 175.8 | 64.3 | 0 | 0 | 0 | 111.4 | V133 L212 P213 F219 C220 | V133-L216 HydrophobicContact CG2-CD1 4.37Å; V133-L216 HydrophobicContact CG2-CD2 4.27Å; V133-L216 HydrophobicContact CG2-CG 4.45Å; L212-L216 PolarHBondContact O-N 3.4Å; P213-L216 PolarHBondContact O-N 3.21Å; L216-F219 PolarHBondContact O-N 3.18Å; L216-C220 PolarHBondContact O-N 3.38Å; L216-C220 PolarHBondContact O-SG 3.31Å; L216-C220 VanDerWaalsContact O-SG 3.33Å |
| 217 | I | 91.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | -179.6 | -67.8 | 162.8 | 0 | 0 | 0 | 110.3 | I125 S132 P213 L214 F219 C220 Y221 V254 | I125-I217 HydrophobicContact CD1-CD1 4.05Å; S132-I217 WeakPolarHBondContact OG-CG2 2.91Å; P213-I217 WeakPolarHBondContact O-CB 3.39Å; P213-I217 WeakPolarHBondContact O-CD1 3.32Å; P213-I217 WeakPolarHBondContact O-CG1 3.39Å; P213-I217 PolarHBondContact O-N 3.49Å; L214-I217 PolarHBondContact O-N 3.43Å; I217-F219 VanDerWaalsContact C-N 3.32Å; I217-F219 PolarHBondContact O-N 2.98Å; I217-C220 WeakPolarHBondContact O-CB 3.29Å; I217-C220 PolarHBondContact O-N 3.25Å; I217-Y221 HydrophobicContact CG2-CD2 3.53Å; I217-Y221 HydrophobicContact CG2-CE2 3.58Å; I217-Y221 VanDerWaalsContact O-CD2 3.23Å; I217-Y221 WeakPolarHBondContact O-CD2 3.22Å; I217-Y221 PolarHBondContact O-N 2.97Å; I217-V254 HydrophobicContact CB-CG1 4.45Å; I217-V254 HydrophobicContact CD1-CG1 3.96Å; I217-V254 HydrophobicContact CD1-CG2 4.06Å; I217-V254 HydrophobicContact CG2-CB 4.24Å; I217-V254 HydrophobicContact CG2-CG1 3.72Å; I217-V254 HydrophobicContact CG2-CG2 3.82Å |
| 218 | S | 89.8 | Confident | 89.8 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | L214 L215 Y221 A222 | L214-S218 WeakPolarHBondContact O-CB 3.26Å; L214-S218 PolarHBondContact O-N 3.41Å; L214-S218 PolarHBondContact O-OG 2.91Å; L215-S218 PolarHBondContact O-N 3.41Å; S218-Y221 PolarHBondContact O-N 3.49Å; S218-A222 WeakPolarHBondContact O-CB 3.17Å; S218-A222 PolarHBondContact O-N 3.03Å |
| 219 | F | 92.4 | Very high | 89 | Confident | 109 Ų | 109 | 52.8 Ų | 52.8 | 48% | 0.478 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 175 | 173.3 | -96.8 | 0 | 0 | 0 | 112.2 | L215 L216 I217 Y221 A222 K223 | L215-F219 VanDerWaalsContact O-CB 3.29Å; L215-F219 WeakPolarHBondContact O-CB 3.46Å; L215-F219 PolarHBondContact O-N 2.98Å; L216-F219 PolarHBondContact O-N 3.18Å; I217-F219 VanDerWaalsContact C-N 3.32Å; I217-F219 PolarHBondContact O-N 2.98Å; F219-Y221 VanDerWaalsContact C-N 3.31Å; F219-Y221 PolarHBondContact O-N 3.47Å; F219-A222 PolarHBondContact O-N 3.5Å; F219-K223 HydrophobicContact CE1-CG 4.25Å; F219-K223 HydrophobicContact CE2-CG 4.22Å; F219-K223 HydrophobicContact CZ-CD 4.49Å; F219-K223 HydrophobicContact CZ-CG 4.03Å; F219-K223 WeakPolarHBondContact O-CG 3.03Å; F219-K223 PolarHBondContact O-N 3.22Å |
| 220 | C | 91.5 | Very high | 88.3 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.3 | -45.6 | 177.1 | -74 | 0 | 0 | 0 | 0 | 111.3 | L216 I217 K223 V224 | L216-C220 PolarHBondContact O-N 3.38Å; L216-C220 PolarHBondContact O-SG 3.31Å; L216-C220 VanDerWaalsContact O-SG 3.33Å; I217-C220 WeakPolarHBondContact O-CB 3.29Å; I217-C220 PolarHBondContact O-N 3.25Å; C220-K223 PolarHBondContact O-N 3.01Å; C220-V224 VanDerWaalsContact O-CG2 3.3Å; C220-V224 WeakPolarHBondContact O-CG2 3.49Å; C220-V224 PolarHBondContact O-N 2.86Å |
| 221 | Y | 86.4 | Confident | 87.1 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 179.7 | -84.1 | -67.7 | 0 | 0 | 0 | 113.8 | S132 I217 S218 F219 K223 V224 L225 A247 V250 L251 | S132-Y221 WeakPolarHBondContact OG-CE2 3.15Å; I217-Y221 HydrophobicContact CG2-CD2 3.53Å; I217-Y221 HydrophobicContact CG2-CE2 3.58Å; I217-Y221 VanDerWaalsContact O-CD2 3.23Å; I217-Y221 WeakPolarHBondContact O-CD2 3.22Å; I217-Y221 PolarHBondContact O-N 2.97Å; S218-Y221 PolarHBondContact O-N 3.49Å; F219-Y221 VanDerWaalsContact C-N 3.31Å; F219-Y221 PolarHBondContact O-N 3.47Å; Y221-K223 VanDerWaalsContact C-N 3.26Å; Y221-K223 PolarHBondContact O-N 2.68Å; Y221-V224 PolarHBondContact O-N 2.67Å; Y221-V224 VanDerWaalsContact O-N 3.15Å; Y221-L225 WeakPolarHBondContact O-CB 3.32Å; Y221-L225 WeakPolarHBondContact O-CG 3.31Å; Y221-L225 PolarHBondContact O-N 3.43Å; Y221-A247 HydrophobicContact CE1-CB 4.14Å; Y221-A247 VanDerWaalsContact CE1-O 3.23Å; Y221-A247 WeakPolarHBondContact CE1-O 3.25Å; Y221-A247 PolarHBondContact OH-O 3.31Å; Y221-V250 WeakPolarHBondContact OH-CB 3.25Å; Y221-V250 WeakPolarHBondContact OH-CG1 3.24Å; Y221-L251 HydrophobicContact CD1-CB 4.44Å; Y221-L251 HydrophobicContact CD2-CD1 4.03Å; Y221-L251 HydrophobicContact CE1-CB 4.05Å; Y221-L251 HydrophobicContact CE2-CB 4.37Å; Y221-L251 HydrophobicContact CE2-CD1 4.31Å; Y221-L251 HydrophobicContact CG-CD1 4.21Å; Y221-L251 PolarHBondContact OH-N 2.92Å; Y221-L251 VanDerWaalsContact OH-N 3.09Å |
| 222 | A | 87.6 | Confident | 85.5 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S218 F219 N226 | S218-A222 WeakPolarHBondContact O-CB 3.17Å; S218-A222 PolarHBondContact O-N 3.03Å; F219-A222 PolarHBondContact O-N 3.5Å; A222-N226 VanDerWaalsContact O-CB 3.29Å; A222-N226 WeakPolarHBondContact O-CB 3.41Å; A222-N226 PolarHBondContact O-N 3.03Å; A222-N226 PolarHBondContact O-ND2 2.94Å |
| 223 | K | 89.2 | Confident | 83.7 | Confident | 96 Ų | 96 | 72.4 Ų | 72.4 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 175.9 | -68.7 | -69.3 | -173.2 | -179.2 | 0 | 113.1 | Y136 F219 C220 Y221 H227 | Y136-K223 HydrophobicContact CD2-CB 3.83Å; Y136-K223 HydrophobicContact CE2-CB 3.56Å; Y136-K223 HydrophobicContact CE2-CG 4.11Å; F219-K223 HydrophobicContact CE1-CG 4.25Å; F219-K223 HydrophobicContact CE2-CG 4.22Å; F219-K223 HydrophobicContact CZ-CD 4.49Å; F219-K223 HydrophobicContact CZ-CG 4.03Å; F219-K223 WeakPolarHBondContact O-CG 3.03Å; F219-K223 PolarHBondContact O-N 3.22Å; C220-K223 PolarHBondContact O-N 3.01Å; Y221-K223 VanDerWaalsContact C-N 3.26Å; Y221-K223 PolarHBondContact O-N 2.68Å; K223-H227 VanDerWaalsContact O-CB 3.31Å; K223-H227 WeakPolarHBondContact O-CB 3.41Å; K223-H227 PolarHBondContact O-N 3.03Å |
| 224 | V | 86.8 | Confident | 82 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.2 | -51 | 175.1 | 166.4 | 0 | 0 | 0 | 0 | 110.2 | Y136 I139 V140 C220 Y221 H227 L228 A247 | Y136-V224 HydrophobicContact CD2-CG2 4.43Å; I139-V224 HydrophobicContact CD1-CG1 3.71Å; I139-V224 HydrophobicContact CD1-CG2 4.47Å; I139-V224 HydrophobicContact CG2-CG1 4.33Å; V140-V224 HydrophobicContact CG2-CG2 4.23Å; C220-V224 VanDerWaalsContact O-CG2 3.3Å; C220-V224 WeakPolarHBondContact O-CG2 3.49Å; C220-V224 PolarHBondContact O-N 2.86Å; Y221-V224 PolarHBondContact O-N 2.67Å; Y221-V224 VanDerWaalsContact O-N 3.15Å; V224-H227 PolarHBondContact O-N 3.15Å; V224-L228 HydrophobicContact CG1-CD1 3.87Å; V224-L228 HydrophobicContact CG1-CG 4.34Å; V224-L228 VanDerWaalsContact O-CG 3.25Å; V224-L228 WeakPolarHBondContact O-CG 3.45Å; V224-L228 PolarHBondContact O-N 2.75Å; V224-A247 HydrophobicContact CG1-CB 4.14Å |
| 225 | L | 83.5 | Confident | 80.9 | Confident | 75 Ų | 75 | 81.4 Ų | 81.4 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 179.4 | -68.5 | 173.4 | 0 | 0 | 0 | 111.1 | Y221 H227 L228 H229 | Y221-L225 WeakPolarHBondContact O-CB 3.32Å; Y221-L225 WeakPolarHBondContact O-CG 3.31Å; Y221-L225 PolarHBondContact O-N 3.43Å; L225-H227 VanDerWaalsContact C-N 3.3Å; L225-H227 PolarHBondContact O-N 3.39Å; L225-L228 WeakPolarHBondContact O-CB 3.26Å; L225-L228 PolarHBondContact O-N 3.13Å; L225-L228 VanDerWaalsContact O-N 3.08Å; L225-H229 PolarHBondContact O-CD2 2.8Å; L225-H229 PolarHBondContact O-N 3.2Å |
| 226 | N | 85.1 | Confident | 79.8 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.6 | -39.9 | 177.7 | -73.2 | -20.1 | 0 | 0 | 0 | 112.5 | A222 K230 | A222-N226 VanDerWaalsContact O-CB 3.29Å; A222-N226 WeakPolarHBondContact O-CB 3.41Å; A222-N226 PolarHBondContact O-N 3.03Å; A222-N226 PolarHBondContact O-ND2 2.94Å; N226-K230 VanDerWaalsContact O-CB 3.27Å; N226-K230 WeakPolarHBondContact O-CB 3.23Å; N226-K230 PolarHBondContact O-N 2.98Å |
| 227 | H | 83.4 | Confident | 78.6 | Confident | 35 Ų | 35 | 85.3 Ų | 85.3 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 174.9 | -172.4 | 99.8 | 0 | 0 | 0 | 111.7 | I139 V140 K223 V224 L225 K230 K231 | I139-H227 PolarHBondContact O-NE2 2.78Å; V140-H227 HydrophobicContact CG1-CB 4.48Å; V140-H227 HydrophobicContact CG2-CB 3.83Å; V140-H227 PolarHBondContact O-CE1 3.48Å; K223-H227 VanDerWaalsContact O-CB 3.31Å; K223-H227 WeakPolarHBondContact O-CB 3.41Å; K223-H227 PolarHBondContact O-N 3.03Å; V224-H227 PolarHBondContact O-N 3.15Å; L225-H227 VanDerWaalsContact C-N 3.3Å; L225-H227 PolarHBondContact O-N 3.39Å; H227-K230 PolarHBondContact O-N 3.29Å; H227-K231 VanDerWaalsContact CE1-CD 3.44Å; H227-K231 WeakPolarHBondContact CE1-CD 3.33Å; H227-K231 WeakPolarHBondContact O-CB 3.45Å; H227-K231 PolarHBondContact O-N 3.12Å |
| 228 | L | 78.1 | Confident | 77.4 | Confident | 13 Ų | 13 | 93.7 Ų | 93.7 | 7% | 0.068 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 176.3 | -68.5 | 170.9 | 0 | 0 | 0 | 110.8 | I139 V224 L225 L232 K243 | I139-L228 HydrophobicContact CG2-CD2 3.93Å; I139-L228 HydrophobicContact CG2-CG 4.3Å; V224-L228 HydrophobicContact CG1-CD1 3.87Å; V224-L228 HydrophobicContact CG1-CG 4.34Å; V224-L228 VanDerWaalsContact O-CG 3.25Å; V224-L228 WeakPolarHBondContact O-CG 3.45Å; V224-L228 PolarHBondContact O-N 2.75Å; L225-L228 WeakPolarHBondContact O-CB 3.26Å; L225-L228 PolarHBondContact O-N 3.13Å; L225-L228 VanDerWaalsContact O-N 3.08Å; L228-L232 HydrophobicContact CB-CD1 4.3Å; L228-L232 HydrophobicContact CD2-CD1 3.44Å; L228-L232 VanDerWaalsContact CD2-CD1 3.44Å; L228-L232 HydrophobicContact CD2-CD2 4.47Å; L228-L232 HydrophobicContact CG-CD1 4.31Å; L228-L232 PolarHBondContact O-N 3.32Å; L228-K243 HydrophobicContact CD2-CB 4.32Å |
| 229 | H | 77.5 | Confident | 76.3 | Confident | 158 Ų | 158 | 92.6 Ų | 92.6 | 73% | 0.731 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 178 | -77.9 | -74.5 | 0 | 0 | 0 | 113.5 | L225 | L225-H229 PolarHBondContact O-CD2 2.8Å; L225-H229 PolarHBondContact O-N 3.2Å |
| 230 | K | 77.7 | Confident | 75.3 | Confident | 190 Ų | 190 | 90.8 Ų | 90.8 | 83% | 0.826 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -84.5 | -35.9 | -173.1 | -169.5 | 171.2 | -178.1 | 172.7 | 0 | 114.4 | N226 H227 | N226-K230 VanDerWaalsContact O-CB 3.27Å; N226-K230 WeakPolarHBondContact O-CB 3.23Å; N226-K230 PolarHBondContact O-N 2.98Å; H227-K230 PolarHBondContact O-N 3.29Å |
| 231 | K | 67.4 | Low | 74.3 | Confident | 145 Ų | 145 | 93.4 Ų | 93.4 | 63% | 0.63 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -112.1 | -15 | -166.9 | -93.8 | -175.9 | 171.5 | -174.9 | 0 | 115.6 | H227 | H227-K231 VanDerWaalsContact CE1-CD 3.44Å; H227-K231 WeakPolarHBondContact CE1-CD 3.33Å; H227-K231 WeakPolarHBondContact O-CB 3.45Å; H227-K231 PolarHBondContact O-N 3.12Å |
| 232 | L | 59.9 | Low | 73.4 | Confident | 7 Ų | 7 | 96.5 Ų | 96.5 | 4% | 0.037 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -95.1 | 6.2 | -176.9 | -81.2 | 110 | 0 | 0 | 0 | 116 | L228 N234 M235 E240 | L228-L232 HydrophobicContact CB-CD1 4.3Å; L228-L232 HydrophobicContact CD2-CD1 3.44Å; L228-L232 VanDerWaalsContact CD2-CD1 3.44Å; L228-L232 HydrophobicContact CD2-CD2 4.47Å; L228-L232 HydrophobicContact CG-CD1 4.31Å; L228-L232 PolarHBondContact O-N 3.32Å; L232-N234 PolarHBondContact O-N 3.32Å; L232-M235 HydrophobicContact CB-CB 4.21Å; L232-M235 HydrophobicContact CB-CG 4.4Å; L232-M235 HydrophobicContact CD2-CB 3.67Å; L232-M235 HydrophobicContact CD2-CE 3.53Å; L232-M235 HydrophobicContact CD2-CG 3.67Å; L232-M235 HydrophobicContact CD2-SD 4.44Å; L232-M235 HydrophobicContact CG-CB 4.08Å; L232-M235 HydrophobicContact CG-CG 3.85Å; L232-M235 PolarHBondContact O-N 3.37Å; L232-E240 HydrophobicContact CB-CG 4.27Å; L232-E240 HydrophobicContact CD2-CB 4.01Å; L232-E240 HydrophobicContact CD2-CG 4.15Å |
| 233 | R | 55.3 | Low | 72.6 | Confident | 231 Ų | 231 | 97.2 Ų | 97.2 | 87% | 0.872 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -56.6 | -21.2 | 169 | -159.1 | 173.3 | 77 | 176.3 | 4.3 | 113.2 | ||
| 234 | N | 58.6 | Low | 71.8 | Confident | 153 Ų | 153 | 98.6 Ų | 98.6 | 82% | 0.818 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -103.2 | 8.9 | -180 | -64 | 0.8 | 0 | 0 | 0 | 113.9 | L232 | L232-N234 PolarHBondContact O-N 3.32Š|
| 235 | M | 68.7 | Low | 71.2 | Confident | 73 Ų | 73 | 102.2 Ų | 102.2 | 36% | 0.36 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -103.3 | 154.1 | 179.1 | -79.3 | -97.1 | -68 | 0 | 0 | 111.2 | L232 K237 S239 | L232-M235 HydrophobicContact CB-CB 4.21Å; L232-M235 HydrophobicContact CB-CG 4.4Å; L232-M235 HydrophobicContact CD2-CB 3.67Å; L232-M235 HydrophobicContact CD2-CE 3.53Å; L232-M235 HydrophobicContact CD2-CG 3.67Å; L232-M235 HydrophobicContact CD2-SD 4.44Å; L232-M235 HydrophobicContact CG-CB 4.08Å; L232-M235 HydrophobicContact CG-CG 3.85Å; L232-M235 PolarHBondContact O-N 3.37Å; M235-K237 PolarHBondContact O-N 3.17Å; M235-S239 VanDerWaalsContact CE-OG 3.24Å; M235-S239 WeakPolarHBondContact CE-OG 3.44Å |
| 236 | S | 69.9 | Low | 70.4 | Confident | 82 Ų | 82 | 101 Ų | 101 | 57% | 0.573 | 49% | 0.493 | S | S | * | . | trans | -57.1 | 130.3 | 171.7 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | K238 S239 E240 | S236-K238 PolarHBondContact O-N 3.31Å; S236-K238 PolarHBondContact OG-N 3.01Å; S236-S239 PolarHBondContact O-N 3.08Å; S236-E240 PolarHBondContact O-N 3.06Å | ||
| 237 | K | 70.1 | Confident | 69.8 | Low | 185 Ų | 185 | 96.3 Ų | 96.3 | 80% | 0.804 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -47.9 | -32.5 | 177 | -66.1 | -176.7 | 178.1 | 179.6 | 0 | 112.8 | M235 A241 | M235-K237 PolarHBondContact O-N 3.17Å; K237-A241 WeakPolarHBondContact O-CB 3.27Å; K237-A241 PolarHBondContact O-N 3.29Å; K237-A241 VanDerWaalsContact O-N 3.13Å |
| 238 | K | 66.6 | Low | 69.5 | Low | 177 Ų | 177 | 99.6 Ų | 99.6 | 77% | 0.77 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.5 | -39 | 178.4 | -170.7 | 175.8 | -178.8 | 177.8 | 0 | 113.3 | S236 S242 | S236-K238 PolarHBondContact O-N 3.31Å; S236-K238 PolarHBondContact OG-N 3.01Å; K238-S242 PolarHBondContact O-N 3.16Å |
| 239 | S | 66.9 | Low | 69.2 | Low | 48 Ų | 48 | 99.5 Ų | 99.5 | 34% | 0.336 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.4 | -37.7 | 179.1 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | M235 S236 S242 K243 | M235-S239 VanDerWaalsContact CE-OG 3.24Å; M235-S239 WeakPolarHBondContact CE-OG 3.44Å; S236-S239 PolarHBondContact O-N 3.08Å; S239-S242 PolarHBondContact O-N 3.24Å; S239-K243 WeakPolarHBondContact O-CG 3.44Å; S239-K243 PolarHBondContact O-N 3.31Å |
| 240 | E | 72.1 | Confident | 68.9 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 174.1 | -173.7 | -173.9 | 164.8 | 0 | 0 | 111.6 | L232 S236 S242 K243 K244 | L232-E240 HydrophobicContact CB-CG 4.27Å; L232-E240 HydrophobicContact CD2-CB 4.01Å; L232-E240 HydrophobicContact CD2-CG 4.15Å; S236-E240 PolarHBondContact O-N 3.06Å; E240-S242 VanDerWaalsContact C-N 3.32Å; E240-S242 PolarHBondContact O-N 3.4Å; E240-K243 PolarHBondContact O-N 2.88Å; E240-K244 PolarHBondContact O-N 3.45Å |
| 241 | A | 69.3 | Low | 68.9 | Low | 59 Ų | 59 | 86.6 Ų | 86.6 | 49% | 0.488 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58 | -41.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K237 K244 K245 | K237-A241 WeakPolarHBondContact O-CB 3.27Å; K237-A241 PolarHBondContact O-N 3.29Å; K237-A241 VanDerWaalsContact O-N 3.13Å; A241-K244 PolarHBondContact O-N 3.47Å; A241-K245 WeakPolarHBondContact O-CB 3.47Å; A241-K245 PolarHBondContact O-N 3.08Å |
| 242 | S | 68.3 | Low | 69.6 | Low | 76 Ų | 76 | 82 Ų | 82 | 53% | 0.531 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | K238 S239 E240 T246 | K238-S242 PolarHBondContact O-N 3.16Å; S239-S242 PolarHBondContact O-N 3.24Å; E240-S242 VanDerWaalsContact C-N 3.32Å; E240-S242 PolarHBondContact O-N 3.4Å; S242-T246 PolarHBondContact O-N 2.93Å; S242-T246 VanDerWaalsContact O-N 3.15Å; S242-T246 PolarHBondContact O-OG1 2.97Å |
| 243 | K | 70.1 | Confident | 70.5 | Confident | 62 Ų | 62 | 81.7 Ų | 81.7 | 27% | 0.27 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 177.1 | -70.6 | 178.9 | -178.6 | -177.1 | 0 | 111.6 | I139 L228 S239 E240 K245 T246 A247 | I139-K243 HydrophobicContact CD1-CB 4.48Å; L228-K243 HydrophobicContact CD2-CB 4.32Å; S239-K243 WeakPolarHBondContact O-CG 3.44Å; S239-K243 PolarHBondContact O-N 3.31Å; E240-K243 PolarHBondContact O-N 2.88Å; K243-K245 PolarHBondContact O-N 3.37Å; K243-T246 PolarHBondContact O-N 2.96Å; K243-A247 PolarHBondContact O-N 3.32Å |
| 244 | K | 73 | Confident | 71.6 | Confident | 124 Ų | 124 | 70.9 Ų | 70.9 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 176.7 | -174.2 | 176.5 | 179.4 | 179 | 0 | 111.3 | E240 A241 T246 A247 Q248 | E240-K244 PolarHBondContact O-N 3.45Å; A241-K244 PolarHBondContact O-N 3.47Å; K244-T246 PolarHBondContact O-N 3.26Å; K244-A247 PolarHBondContact O-N 3.4Å; K244-Q248 VanDerWaalsContact O-CB 3.3Å; K244-Q248 WeakPolarHBondContact O-CB 3.36Å; K244-Q248 PolarHBondContact O-N 3.2Å |
| 245 | K | 73.3 | Confident | 72.9 | Confident | 78 Ų | 78 | 67 Ų | 67 | 34% | 0.339 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 179.3 | -174.1 | 166.7 | -174.1 | 158.9 | 0 | 113.1 | A241 K243 Q248 T249 E309 | A241-K245 WeakPolarHBondContact O-CB 3.47Å; A241-K245 PolarHBondContact O-N 3.08Å; K243-K245 PolarHBondContact O-N 3.37Å; K245-Q248 PolarHBondContact O-N 3.3Å; K245-T249 PolarHBondContact O-N 3.07Å; K245-T249 PolarHBondContact O-OG1 3.44Å; K245-E309 HydrophobicContact CD-CG 4.44Å; K245-E309 IonicContact NZ-OE1 2.68Å; K245-E309 PolarHBondContact NZ-OE1 3.01Å |
| 246 | T | 68.1 | Low | 73.7 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 31% | 0.307 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 177.5 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | S242 K243 K244 T249 V250 | S242-T246 PolarHBondContact O-N 2.93Å; S242-T246 VanDerWaalsContact O-N 3.15Å; S242-T246 PolarHBondContact O-OG1 2.97Å; K243-T246 PolarHBondContact O-N 2.96Å; K244-T246 PolarHBondContact O-N 3.26Å; T246-T249 PolarHBondContact O-N 3.41Å; T246-V250 PolarHBondContact O-N 3.45Å |
| 247 | A | 72 | Confident | 74.4 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | I139 Y221 V224 K243 K244 T249 V250 L251 | I139-A247 HydrophobicContact CD1-CB 4.33Å; Y221-A247 HydrophobicContact CE1-CB 4.14Å; Y221-A247 VanDerWaalsContact CE1-O 3.23Å; Y221-A247 WeakPolarHBondContact CE1-O 3.25Å; Y221-A247 PolarHBondContact OH-O 3.31Å; V224-A247 HydrophobicContact CG1-CB 4.14Å; K243-A247 PolarHBondContact O-N 3.32Å; K244-A247 PolarHBondContact O-N 3.4Å; A247-T249 VanDerWaalsContact C-N 3.33Å; A247-T249 PolarHBondContact O-N 2.9Å; A247-V250 PolarHBondContact O-N 2.02Å; A247-L251 PolarHBondContact O-N 2.86Å |
| 248 | Q | 76.8 | Confident | 75.1 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 177 | -175.2 | 178 | 0.6 | 0 | 0 | 112.1 | K244 K245 V250 L251 V252 | K244-Q248 VanDerWaalsContact O-CB 3.3Å; K244-Q248 WeakPolarHBondContact O-CB 3.36Å; K244-Q248 PolarHBondContact O-N 3.2Å; K245-Q248 PolarHBondContact O-N 3.3Å; Q248-V250 PolarHBondContact O-N 2.82Å; Q248-L251 PolarHBondContact O-N 2.96Å; Q248-V252 WeakPolarHBondContact O-CG2 3.16Å; Q248-V252 PolarHBondContact O-N 2.79Å |
| 249 | T | 71.9 | Confident | 76.1 | Confident | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | K245 T246 A247 L251 V252 V253 L307 | K245-T249 PolarHBondContact O-N 3.07Å; K245-T249 PolarHBondContact O-OG1 3.44Å; T246-T249 PolarHBondContact O-N 3.41Å; A247-T249 VanDerWaalsContact C-N 3.33Å; A247-T249 PolarHBondContact O-N 2.9Å; T249-L251 VanDerWaalsContact C-N 3.32Å; T249-L251 PolarHBondContact O-N 3.4Å; T249-V252 PolarHBondContact O-N 3.12Å; T249-V253 WeakPolarHBondContact O-CG2 3.44Å; T249-V253 PolarHBondContact O-N 3.22Å; T249-V253 VanDerWaalsContact O-N 3.14Å; T249-L307 HydrophobicContact CG2-CB 3.65Å; T249-L307 PolarHBondContact OG1-O 2.95Å |
| 250 | V | 71.9 | Confident | 77.2 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.2 | -31.5 | -178.7 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | M131 R135 Y221 T246 A247 Q248 V253 V254 | M131-V250 HydrophobicContact CB-CG1 4.3Å; M131-V250 HydrophobicContact CE-CG2 4.21Å; R135-V250 HydrophobicContact CG-CG2 4.27Å; Y221-V250 WeakPolarHBondContact OH-CB 3.25Å; Y221-V250 WeakPolarHBondContact OH-CG1 3.24Å; T246-V250 PolarHBondContact O-N 3.45Å; A247-V250 PolarHBondContact O-N 2.02Å; Q248-V250 PolarHBondContact O-N 2.82Å; V250-V253 PolarHBondContact O-N 3.4Å; V250-V254 VanDerWaalsContact O-CG2 3.27Å; V250-V254 WeakPolarHBondContact O-CG2 3.4Å; V250-V254 PolarHBondContact O-N 2.94Å; V250-V254 VanDerWaalsContact O-N 3.13Å |
| 251 | L | 77.8 | Confident | 78.1 | Confident | 70 Ų | 70 | 45 Ų | 45 | 37% | 0.366 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 172.8 | 179.7 | 64.5 | 0 | 0 | 0 | 111.8 | Y221 A247 Q248 T249 V254 V255 | Y221-L251 HydrophobicContact CD1-CB 4.44Å; Y221-L251 HydrophobicContact CD2-CD1 4.03Å; Y221-L251 HydrophobicContact CE1-CB 4.05Å; Y221-L251 HydrophobicContact CE2-CB 4.37Å; Y221-L251 HydrophobicContact CE2-CD1 4.31Å; Y221-L251 HydrophobicContact CG-CD1 4.21Å; Y221-L251 PolarHBondContact OH-N 2.92Å; Y221-L251 VanDerWaalsContact OH-N 3.09Å; A247-L251 PolarHBondContact O-N 2.86Å; Q248-L251 PolarHBondContact O-N 2.96Å; T249-L251 VanDerWaalsContact C-N 3.32Å; T249-L251 PolarHBondContact O-N 3.4Å; L251-V254 PolarHBondContact O-N 3.5Å; L251-V255 HydrophobicContact CD1-CG2 4.49Å; L251-V255 WeakPolarHBondContact O-CG2 3.24Å; L251-V255 PolarHBondContact O-N 3.47Å |
| 252 | V | 81.8 | Confident | 79.2 | Confident | 48 Ų | 48 | 45.3 Ų | 45.3 | 29% | 0.291 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63 | -42.9 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | Q248 T249 V254 V255 V256 I303 L307 | Q248-V252 WeakPolarHBondContact O-CG2 3.16Å; Q248-V252 PolarHBondContact O-N 2.79Å; T249-V252 PolarHBondContact O-N 3.12Å; V252-V254 PolarHBondContact O-N 2.97Å; V252-V255 PolarHBondContact O-N 3.28Å; V252-V256 HydrophobicContact CG1-CG2 4.3Å; V252-V256 WeakPolarHBondContact O-CG2 3.34Å; V252-V256 PolarHBondContact O-N 2.67Å; V252-I303 HydrophobicContact CG1-CG2 4.29Å; V252-L307 HydrophobicContact CB-CD1 3.92Å; V252-L307 HydrophobicContact CG1-CD1 3.65Å; V252-L307 HydrophobicContact CG2-CD1 4.23Å |
| 253 | V | 77.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.1 | -44.5 | 174.9 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | L128 T249 V250 V256 F257 I303 Y304 | L128-V253 HydrophobicContact CD1-CG1 4.18Å; L128-V253 HydrophobicContact CD2-CB 4.24Å; L128-V253 HydrophobicContact CD2-CG1 3.35Å; L128-V253 HydrophobicContact CG-CG1 4.42Å; T249-V253 WeakPolarHBondContact O-CG2 3.44Å; T249-V253 PolarHBondContact O-N 3.22Å; T249-V253 VanDerWaalsContact O-N 3.14Å; V250-V253 PolarHBondContact O-N 3.4Å; V253-V256 PolarHBondContact O-N 2.99Å; V253-F257 WeakPolarHBondContact O-CB 2.96Å; V253-F257 PolarHBondContact O-N 3.35Å; V253-I303 HydrophobicContact CB-CD1 4.38Å; V253-I303 HydrophobicContact CB-CG2 4.49Å; V253-I303 HydrophobicContact CG2-CB 4.3Å; V253-I303 HydrophobicContact CG2-CD1 4.28Å; V253-I303 HydrophobicContact CG2-CG2 3.47Å; V253-I303 VanDerWaalsContact CG2-CG2 3.47Å; V253-Y304 HydrophobicContact CG2-CE1 3.91Å |
| 254 | V | 78.8 | Confident | 81.4 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -46.3 | -179.6 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L128 L214 I217 V250 L251 V252 V256 F257 C258 | L128-V254 HydrophobicContact CB-CG2 4.5Å; L214-V254 HydrophobicContact CD2-CG1 4.34Å; I217-V254 HydrophobicContact CB-CG1 4.45Å; I217-V254 HydrophobicContact CD1-CG1 3.96Å; I217-V254 HydrophobicContact CD1-CG2 4.06Å; I217-V254 HydrophobicContact CG2-CB 4.24Å; I217-V254 HydrophobicContact CG2-CG1 3.72Å; I217-V254 HydrophobicContact CG2-CG2 3.82Å; V250-V254 VanDerWaalsContact O-CG2 3.27Å; V250-V254 WeakPolarHBondContact O-CG2 3.4Å; V250-V254 PolarHBondContact O-N 2.94Å; V250-V254 VanDerWaalsContact O-N 3.13Å; L251-V254 PolarHBondContact O-N 3.5Å; V252-V254 PolarHBondContact O-N 2.97Å; V254-V256 VanDerWaalsContact C-N 3.3Å; V254-V256 PolarHBondContact O-N 3.37Å; V254-F257 WeakPolarHBondContact O-CB 3.4Å; V254-F257 PolarHBondContact O-N 2.87Å; V254-C258 PolarHBondContact O-N 3.28Å; V254-C258 PolarHBondContact O-SG 3.08Å |
| 255 | V | 85 | Confident | 82.3 | Confident | 71 Ų | 71 | 34.7 Ų | 34.7 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60 | -44.5 | 179.2 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | L251 V252 C258 L259 | L251-V255 HydrophobicContact CD1-CG2 4.49Å; L251-V255 WeakPolarHBondContact O-CG2 3.24Å; L251-V255 PolarHBondContact O-N 3.47Å; V252-V255 PolarHBondContact O-N 3.28Å; V255-C258 PolarHBondContact O-N 3.3Å; V255-L259 HydrophobicContact CG1-CD1 3.84Å; V255-L259 HydrophobicContact CG1-CG 4.32Å; V255-L259 WeakPolarHBondContact O-CB 3.14Å; V255-L259 VanDerWaalsContact O-CG 3.31Å; V255-L259 WeakPolarHBondContact O-CG 3.34Å; V255-L259 PolarHBondContact O-N 3.45Å |
| 256 | V | 86.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 33.9 Ų | 33.9 | 22% | 0.218 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | V252 V253 V254 C258 L259 S260 V299 I303 | V252-V256 HydrophobicContact CG1-CG2 4.3Å; V252-V256 WeakPolarHBondContact O-CG2 3.34Å; V252-V256 PolarHBondContact O-N 2.67Å; V253-V256 PolarHBondContact O-N 2.99Å; V254-V256 VanDerWaalsContact C-N 3.3Å; V254-V256 PolarHBondContact O-N 3.37Å; V256-C258 VanDerWaalsContact C-N 3.26Å; V256-C258 PolarHBondContact O-N 3.36Å; V256-L259 PolarHBondContact O-N 2.66Å; V256-S260 WeakPolarHBondContact O-CB 3.12Å; V256-S260 PolarHBondContact O-N 2.98Å; V256-S260 PolarHBondContact O-OG 3.25Å; V256-V299 HydrophobicContact CG1-CB 4.3Å; V256-V299 HydrophobicContact CG1-CG1 3.72Å; V256-I303 HydrophobicContact CB-CD1 3.9Å; V256-I303 HydrophobicContact CG1-CD1 4.1Å; V256-I303 HydrophobicContact CG2-CD1 3.86Å |
| 257 | F | 83.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.2 | -47 | 175.8 | -178.3 | -83.4 | 0 | 0 | 0 | 111.3 | M121 I125 L128 V253 V254 S260 W261 N296 | M121-F257 HydrophobicContact CG-CZ 4.39Å; I125-F257 HydrophobicContact CB-CE1 3.74Å; I125-F257 HydrophobicContact CB-CE2 4.25Å; I125-F257 HydrophobicContact CB-CZ 3.56Å; I125-F257 HydrophobicContact CD1-CD1 3.72Å; I125-F257 HydrophobicContact CD1-CE1 3.59Å; I125-F257 HydrophobicContact CD1-CG 4.48Å; I125-F257 HydrophobicContact CD1-CZ 4.24Å; I125-F257 HydrophobicContact CG1-CD1 4.45Å; I125-F257 HydrophobicContact CG1-CE1 3.81Å; I125-F257 HydrophobicContact CG1-CZ 4.17Å; I125-F257 HydrophobicContact CG2-CZ 4.47Å; L128-F257 HydrophobicContact CD1-CB 3.78Å; L128-F257 HydrophobicContact CD1-CD2 3.78Å; L128-F257 HydrophobicContact CD1-CG 3.79Å; V253-F257 WeakPolarHBondContact O-CB 2.96Å; V253-F257 PolarHBondContact O-N 3.35Å; V254-F257 WeakPolarHBondContact O-CB 3.4Å; V254-F257 PolarHBondContact O-N 2.87Å; F257-S260 PolarHBondContact O-N 3.42Å; F257-W261 AromaticContact CD1-CD1 3.86Å; F257-W261 AromaticContact CD2-CD1 3.6Å; F257-W261 AromaticContact CD2-NE1 3.67Å; F257-W261 HydrophobicContact CE1-CB 4.34Å; F257-W261 AromaticContact CE1-CD1 3.61Å; F257-W261 HydrophobicContact CE1-CG 4.05Å; F257-W261 AromaticContact CE2-CD1 3.34Å; F257-W261 HydrophobicContact CE2-CG 4.3Å; F257-W261 AromaticContact CE2-NE1 3.17Å; F257-W261 AromaticContact CG-CD1 3.83Å; F257-W261 AromaticContact CZ-CD1 3.32Å; F257-W261 HydrophobicContact CZ-CD2 4.36Å; F257-W261 AromaticContact CZ-CG 3.89Å; F257-W261 HydrophobicContact CZ-CG 3.89Å; F257-W261 AromaticContact CZ-NE1 3.49Å; F257-W261 PolarHBondContact O-N 3Å; F257-N296 WeakPolarHBondContact CD2-ND2 3.27Å; F257-N296 VanDerWaalsContact CD2-OD1 3.3Å; F257-N296 WeakPolarHBondContact CD2-OD1 3.33Å |
| 258 | C | 85.8 | Confident | 85 | Confident | 12 Ų | 12 | 33 Ų | 33 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.5 | -43.5 | -176.2 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | Y210 L214 V254 V255 V256 S260 W261 L262 | Y210-C258 HydrophobicContact CE2-CB 4.13Å; Y210-C258 PolarHBondContact OH-O 3.44Å; L214-C258 HydrophobicContact CD1-CB 4.47Å; L214-C258 HydrophobicContact CD2-CB 4.34Å; L214-C258 WeakPolarHBondContact CD2-SG 3.44Å; V254-C258 PolarHBondContact O-N 3.28Å; V254-C258 PolarHBondContact O-SG 3.08Å; V255-C258 PolarHBondContact O-N 3.3Å; V256-C258 VanDerWaalsContact C-N 3.26Å; V256-C258 PolarHBondContact O-N 3.36Å; C258-S260 PolarHBondContact O-N 3.24Å; C258-W261 PolarHBondContact O-N 3.42Å; C258-L262 WeakPolarHBondContact O-CB 3.47Å; C258-L262 PolarHBondContact O-N 2.9Å |
| 259 | L | 88.1 | Confident | 85.6 | Confident | 110 Ų | 110 | 29.9 Ų | 29.9 | 58% | 0.576 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -64.2 | -33.2 | 174.9 | -67.6 | 175.7 | 0 | 0 | 0 | 111.8 | V255 V256 P263 L292 | V255-L259 HydrophobicContact CG1-CD1 3.84Å; V255-L259 HydrophobicContact CG1-CG 4.32Å; V255-L259 WeakPolarHBondContact O-CB 3.14Å; V255-L259 VanDerWaalsContact O-CG 3.31Å; V255-L259 WeakPolarHBondContact O-CG 3.34Å; V255-L259 PolarHBondContact O-N 3.45Å; V256-L259 PolarHBondContact O-N 2.66Å; L259-P263 WeakPolarHBondContact O-CD 3.2Å; L259-L292 VanDerWaalsContact O-CD2 3.29Å; L259-L292 WeakPolarHBondContact O-CD2 3.29Å |
| 260 | S | 89.8 | Confident | 86.5 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.4 | -37.5 | 179.5 | -67.8 | 0 | 0 | 0 | 0 | 113.6 | V256 F257 C258 A293 | V256-S260 WeakPolarHBondContact O-CB 3.12Å; V256-S260 PolarHBondContact O-N 2.98Å; V256-S260 PolarHBondContact O-OG 3.25Å; F257-S260 PolarHBondContact O-N 3.42Å; C258-S260 PolarHBondContact O-N 3.24Å; S260-A293 PolarHBondContact O-N 2.92Å |
| 261 | W | 91.1 | Very high | 87.2 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -96.1 | -22.5 | -175 | -74.6 | 96.5 | 0 | 0 | 0 | 114.3 | F117 M121 Y210 F257 C258 H264 H265 A293 N296 | F117-W261 HydrophobicContact CD2-CH2 4.2Å; F117-W261 HydrophobicContact CE1-CH2 4.18Å; F117-W261 AromaticContact CE1-CZ3 3.91Å; F117-W261 HydrophobicContact CE1-CZ3 3.91Å; F117-W261 AromaticContact CE2-CH2 3.42Å; F117-W261 HydrophobicContact CE2-CH2 3.42Å; F117-W261 VanDerWaalsContact CE2-CH2 3.42Å; F117-W261 HydrophobicContact CE2-CZ2 4.46Å; F117-W261 AromaticContact CE2-CZ3 3.84Å; F117-W261 HydrophobicContact CE2-CZ3 3.84Å; F117-W261 AromaticContact CZ-CH2 3.44Å; F117-W261 HydrophobicContact CZ-CH2 3.44Å; F117-W261 VanDerWaalsContact CZ-CH2 3.44Å; F117-W261 AromaticContact CZ-CZ3 3.32Å; F117-W261 HydrophobicContact CZ-CZ3 3.32Å; M121-W261 HydrophobicContact CB-CE3 4.45Å; M121-W261 HydrophobicContact CB-CH2 3.42Å; M121-W261 VanDerWaalsContact CB-CH2 3.42Å; M121-W261 HydrophobicContact CB-CZ2 3.73Å; M121-W261 HydrophobicContact CB-CZ3 3.81Å; M121-W261 HydrophobicContact CG-CD2 3.84Å; M121-W261 HydrophobicContact CG-CE3 3.64Å; M121-W261 HydrophobicContact CG-CH2 3.53Å; M121-W261 HydrophobicContact CG-CZ2 3.72Å; M121-W261 HydrophobicContact CG-CZ3 3.47Å; M121-W261 VanDerWaalsContact CG-CZ3 3.47Å; M121-W261 HydrophobicContact SD-CD2 4.22Å; M121-W261 HydrophobicContact SD-CE3 3.49Å; M121-W261 HydrophobicContact SD-CH2 4.07Å; M121-W261 HydrophobicContact SD-CZ3 3.39Å; M121-W261 WeakPolarHBondContact SD-CZ3 3.39Å; Y210-W261 HydrophobicContact CD2-CB 4.5Å; F257-W261 AromaticContact CD1-CD1 3.86Å; F257-W261 AromaticContact CD2-CD1 3.6Å; F257-W261 AromaticContact CD2-NE1 3.67Å; F257-W261 HydrophobicContact CE1-CB 4.34Å; F257-W261 AromaticContact CE1-CD1 3.61Å; F257-W261 HydrophobicContact CE1-CG 4.05Å; F257-W261 AromaticContact CE2-CD1 3.34Å; F257-W261 HydrophobicContact CE2-CG 4.3Å; F257-W261 AromaticContact CE2-NE1 3.17Å; F257-W261 AromaticContact CG-CD1 3.83Å; F257-W261 AromaticContact CZ-CD1 3.32Å; F257-W261 HydrophobicContact CZ-CD2 4.36Å; F257-W261 AromaticContact CZ-CG 3.89Å; F257-W261 HydrophobicContact CZ-CG 3.89Å; F257-W261 AromaticContact CZ-NE1 3.49Å; F257-W261 PolarHBondContact O-N 3Å; C258-W261 PolarHBondContact O-N 3.42Å; W261-H264 WeakPolarHBondContact O-CB 3.34Å; W261-H264 PolarHBondContact O-N 2.94Å; W261-H265 PolarHBondContact O-CD2 3.17Å; W261-H265 PolarHBondContact O-N 3.26Å; W261-H265 VanDerWaalsContact O-N 3.13Å; W261-A293 HydrophobicContact CD2-CB 4.16Å; W261-A293 HydrophobicContact CE3-CB 3.92Å; W261-A293 HydrophobicContact CH2-CB 4.29Å; W261-A293 HydrophobicContact CZ3-CB 4Å; W261-N296 PolarHBondContact NE1-ND2 2.86Å |
| 262 | L | 92.4 | Very high | 87.6 | Confident | 66 Ų | 66 | 34.8 Ų | 34.8 | 35% | 0.346 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -56.4 | -48.5 | -179.3 | 177.4 | 63.6 | 0 | 0 | 0 | 113 | Y210 C258 H264 H265 V266 | Y210-L262 HydrophobicContact CE1-CD1 4.02Å; Y210-L262 HydrophobicContact CE2-CB 4.2Å; Y210-L262 WeakPolarHBondContact OH-CB 3.44Å; C258-L262 WeakPolarHBondContact O-CB 3.47Å; C258-L262 PolarHBondContact O-N 2.9Å; L262-H264 PolarHBondContact O-N 3.46Å; L262-H265 PolarHBondContact O-N 2.87Å; L262-V266 HydrophobicContact CD1-CG2 3.89Å; L262-V266 HydrophobicContact CG-CG2 4.22Å; L262-V266 VanDerWaalsContact O-CG2 3.31Å; L262-V266 WeakPolarHBondContact O-CG2 3.29Å; L262-V266 PolarHBondContact O-N 2.99Å |
| 263 | P | 92.8 | Very high | 87.9 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 20% | 0.195 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -36.3 | -179.4 | -25.3 | 37.8 | 0 | 0 | 0 | 112 | L259 V266 V267 A289 L292 | L259-P263 WeakPolarHBondContact O-CD 3.2Å; P263-V266 PolarHBondContact O-N 3.31Å; P263-V267 VanDerWaalsContact O-CG2 3.29Å; P263-V267 WeakPolarHBondContact O-CG2 3.35Å; P263-V267 PolarHBondContact O-N 2.79Å; P263-A289 HydrophobicContact CB-CB 3.62Å; P263-L292 HydrophobicContact CG-CD2 3.94Å |
| 264 | H | 91.1 | Very high | 88.3 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 3% | 0.032 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -50.7 | 177.1 | -178.1 | 77.2 | 0 | 0 | 0 | 111.2 | F117 W261 L262 V266 V267 Q268 H290 A293 | F117-H264 AromaticContact CE1-CE1 3.92Å; F117-H264 AromaticContact CE1-NE2 3.64Å; F117-H264 AromaticContact CZ-NE2 3.95Å; W261-H264 WeakPolarHBondContact O-CB 3.34Å; W261-H264 PolarHBondContact O-N 2.94Å; L262-H264 PolarHBondContact O-N 3.46Å; H264-V266 VanDerWaalsContact C-N 3.33Å; H264-V266 PolarHBondContact O-N 2.95Å; H264-V267 PolarHBondContact O-N 2.91Å; H264-Q268 PolarHBondContact CD2-OE1 3.44Å; H264-Q268 VanDerWaalsContact NE2-CD 3.33Å; H264-Q268 PolarHBondContact NE2-OE1 2.89Å; H264-Q268 WeakPolarHBondContact O-CG 3.48Å; H264-Q268 PolarHBondContact O-N 3.38Å; H264-H290 AromaticContact CE1-CD2 3.65Å; H264-H290 AromaticContact CE1-NE2 3.37Å; H264-H290 PolarHBondContact CE1-NE2 3.44Å; H264-H290 AromaticContact ND1-CD2 3.61Å; H264-H290 AromaticContact ND1-CE1 3.9Å; H264-H290 AromaticContact ND1-NE2 3.52Å; H264-A293 HydrophobicContact CB-CB 4.16Å |
| 265 | H | 92.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 177 | -71.9 | -50.4 | 0 | 0 | 0 | 113.1 | F206 Y210 W261 L262 Q268 L269 | F206-H265 HydrophobicContact CD2-CB 3.68Å; F206-H265 AromaticContact CD2-CG 3.75Å; F206-H265 HydrophobicContact CE2-CB 4.01Å; Y210-H265 AromaticContact CD2-CD2 3.66Å; Y210-H265 AromaticContact CG-CD2 3.83Å; W261-H265 PolarHBondContact O-CD2 3.17Å; W261-H265 PolarHBondContact O-N 3.26Å; W261-H265 VanDerWaalsContact O-N 3.13Å; L262-H265 PolarHBondContact O-N 2.87Å; H265-Q268 PolarHBondContact O-N 2.9Å; H265-L269 WeakPolarHBondContact O-CB 3.3Å; H265-L269 VanDerWaalsContact O-CG 3.32Å; H265-L269 WeakPolarHBondContact O-CG 3.17Å; H265-L269 PolarHBondContact O-N 3.12Å |
| 266 | V | 92 | Very high | 88.2 | Confident | 61 Ų | 61 | 44.4 Ų | 44.4 | 37% | 0.37 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 176 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | L262 P263 H264 L269 W270 | L262-V266 HydrophobicContact CD1-CG2 3.89Å; L262-V266 HydrophobicContact CG-CG2 4.22Å; L262-V266 VanDerWaalsContact O-CG2 3.31Å; L262-V266 WeakPolarHBondContact O-CG2 3.29Å; L262-V266 PolarHBondContact O-N 2.99Å; P263-V266 PolarHBondContact O-N 3.31Å; H264-V266 VanDerWaalsContact C-N 3.33Å; H264-V266 PolarHBondContact O-N 2.95Å; V266-L269 PolarHBondContact O-N 3.38Å; V266-W270 VanDerWaalsContact O-CB 3.22Å; V266-W270 WeakPolarHBondContact O-CB 3.42Å; V266-W270 PolarHBondContact O-N 2.77Å |
| 267 | V | 89.5 | Confident | 87.9 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.8 | 172 | 0 | 0 | 0 | 0 | 111 | P263 H264 L269 W270 V271 F276 F285 R286 A289 | P263-V267 VanDerWaalsContact O-CG2 3.29Å; P263-V267 WeakPolarHBondContact O-CG2 3.35Å; P263-V267 PolarHBondContact O-N 2.79Å; H264-V267 PolarHBondContact O-N 2.91Å; V267-L269 PolarHBondContact O-N 3.13Å; V267-W270 PolarHBondContact O-N 3.07Å; V267-V271 HydrophobicContact CG1-CG2 4.27Å; V267-V271 WeakPolarHBondContact O-CB 3.47Å; V267-V271 VanDerWaalsContact O-CG2 3.26Å; V267-V271 WeakPolarHBondContact O-CG2 3.41Å; V267-V271 PolarHBondContact O-N 3.15Å; V267-F276 HydrophobicContact CG1-CE2 4.33Å; V267-F276 HydrophobicContact CG1-CZ 4.44Å; V267-F285 HydrophobicContact CG2-CD1 3.62Å; V267-F285 HydrophobicContact CG2-CE1 3.33Å; V267-F285 HydrophobicContact CG2-CZ 4.21Å; V267-R286 HydrophobicContact CG1-CB 4.18Å; V267-R286 HydrophobicContact CG1-CG 3.9Å; V267-A289 HydrophobicContact CG2-CB 4.04Å |
| 268 | Q | 87.8 | Confident | 87.6 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 178.6 | -70.9 | -174.6 | -60.7 | 0 | 0 | 111.6 | E202 H264 H265 W270 V271 E272 | E202-Q268 PolarHBondContact OE2-NE2 2.95Å; H264-Q268 PolarHBondContact CD2-OE1 3.44Å; H264-Q268 VanDerWaalsContact NE2-CD 3.33Å; H264-Q268 PolarHBondContact NE2-OE1 2.89Å; H264-Q268 WeakPolarHBondContact O-CG 3.48Å; H264-Q268 PolarHBondContact O-N 3.38Å; H265-Q268 PolarHBondContact O-N 2.9Å; Q268-W270 VanDerWaalsContact C-N 3.35Å; Q268-W270 PolarHBondContact O-N 3.3Å; Q268-V271 PolarHBondContact O-N 2.97Å; Q268-E272 WeakPolarHBondContact O-CG 3.22Å; Q268-E272 PolarHBondContact O-N 3.46Å; Q268-E272 VanDerWaalsContact O-N 3.08Å |
| 269 | L | 90.8 | Very high | 87.3 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 179.7 | -68.5 | 172.5 | 0 | 0 | 0 | 112.2 | V203 F206 H265 V266 V267 E272 F273 | V203-L269 HydrophobicContact CG2-CD2 4.28Å; F206-L269 HydrophobicContact CB-CD1 4.38Å; F206-L269 HydrophobicContact CD1-CD1 3.9Å; F206-L269 HydrophobicContact CD2-CD1 4.12Å; F206-L269 HydrophobicContact CE1-CD1 4.14Å; F206-L269 HydrophobicContact CE2-CD1 4.35Å; F206-L269 HydrophobicContact CG-CD1 3.87Å; F206-L269 HydrophobicContact CZ-CD1 4.36Å; H265-L269 WeakPolarHBondContact O-CB 3.3Å; H265-L269 VanDerWaalsContact O-CG 3.32Å; H265-L269 WeakPolarHBondContact O-CG 3.17Å; H265-L269 PolarHBondContact O-N 3.12Å; V266-L269 PolarHBondContact O-N 3.38Å; V267-L269 PolarHBondContact O-N 3.13Å; L269-E272 PolarHBondContact O-N 3.33Å; L269-F273 HydrophobicContact CD2-CD2 4.07Å; L269-F273 HydrophobicContact CD2-CE2 3.78Å; L269-F273 WeakPolarHBondContact O-CB 3.5Å; L269-F273 WeakPolarHBondContact O-CD2 3.48Å; L269-F273 PolarHBondContact O-N 3.19Å |
| 270 | W | 90.4 | Very high | 86.7 | Confident | 112 Ų | 112 | 55.3 Ų | 55.3 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 178.1 | -168.1 | -1.3 | 0 | 0 | 0 | 111.6 | V266 V267 Q268 E272 G274 N275 F276 P277 | V266-W270 VanDerWaalsContact O-CB 3.22Å; V266-W270 WeakPolarHBondContact O-CB 3.42Å; V266-W270 PolarHBondContact O-N 2.77Å; V267-W270 PolarHBondContact O-N 3.07Å; Q268-W270 VanDerWaalsContact C-N 3.35Å; Q268-W270 PolarHBondContact O-N 3.3Å; W270-E272 VanDerWaalsContact C-N 3.33Å; W270-E272 PolarHBondContact O-N 3.14Å; W270-G274 CarbonylContact O-C 3.58Å; W270-G274 WeakPolarHBondContact O-CA 3.45Å; W270-G274 PolarHBondContact O-N 3.48Å; W270-N275 PolarHBondContact NE1-O 3.45Å; W270-F276 HydrophobicContact CB-CD2 4.39Å; W270-F276 AromaticContact CD2-CD2 3.9Å; W270-F276 HydrophobicContact CD2-CD2 3.9Å; W270-F276 HydrophobicContact CD2-CE2 4.45Å; W270-F276 HydrophobicContact CE3-CD2 4.07Å; W270-F276 HydrophobicContact CE3-CE2 4.15Å; W270-F276 HydrophobicContact CG-CD2 4.05Å; W270-P277 HydrophobicContact CZ2-CG 4.38Å |
| 271 | V | 86.3 | Confident | 86.1 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 35% | 0.345 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 175 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | V267 Q268 F276 | V267-V271 HydrophobicContact CG1-CG2 4.27Å; V267-V271 WeakPolarHBondContact O-CB 3.47Å; V267-V271 VanDerWaalsContact O-CG2 3.26Å; V267-V271 WeakPolarHBondContact O-CG2 3.41Å; V267-V271 PolarHBondContact O-N 3.15Å; Q268-V271 PolarHBondContact O-N 2.97Å; V271-F276 HydrophobicContact CG2-CB 3.85Å; V271-F276 HydrophobicContact CG2-CD1 4.13Å; V271-F276 HydrophobicContact CG2-CD2 4.01Å; V271-F276 HydrophobicContact CG2-CG 3.73Å |
| 272 | E | 86.6 | Confident | 85.4 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -81.6 | -34.7 | -175.4 | -67.7 | -54.6 | 139.8 | 0 | 0 | 114.6 | K198 K199 E202 Q268 L269 W270 | K198-E272 WeakPolarHBondContact CD-OE2 3.28Å; K198-E272 WeakPolarHBondContact CE-OE1 3.29Å; K198-E272 IonicContact NZ-OE1 2.65Å; K198-E272 PolarHBondContact NZ-OE1 3.42Å; K198-E272 IonicContact NZ-OE2 2.84Å; K199-E272 WeakPolarHBondContact CE-O 3.38Å; K199-E272 HydrophobicContact CG-CB 4.35Å; K199-E272 PolarHBondContact NZ-O 3.42Å; E202-E272 HydrophobicContact CG-CG 4.26Å; Q268-E272 WeakPolarHBondContact O-CG 3.22Å; Q268-E272 PolarHBondContact O-N 3.46Å; Q268-E272 VanDerWaalsContact O-N 3.08Å; L269-E272 PolarHBondContact O-N 3.33Å; W270-E272 VanDerWaalsContact C-N 3.33Å; W270-E272 PolarHBondContact O-N 3.14Å |
| 273 | F | 88.4 | Confident | 84.6 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -109 | -15.7 | -172.9 | -67.3 | -86.3 | 0 | 0 | 0 | 114.2 | K199 V203 L269 | K199-F273 HydrophobicContact CB-CE1 4.08Å; K199-F273 HydrophobicContact CB-CE2 4.37Å; K199-F273 HydrophobicContact CB-CZ 3.66Å; K199-F273 HydrophobicContact CD-CD1 4.31Å; K199-F273 HydrophobicContact CD-CE1 3.92Å; K199-F273 HydrophobicContact CD-CZ 4.26Å; K199-F273 HydrophobicContact CG-CE1 4.13Å; K199-F273 HydrophobicContact CG-CE2 4.38Å; K199-F273 HydrophobicContact CG-CZ 3.94Å; V203-F273 HydrophobicContact CG2-CE2 3.74Å; V203-F273 HydrophobicContact CG2-CZ 3.48Å; V203-F273 VanDerWaalsContact CG2-CZ 3.48Å; L269-F273 HydrophobicContact CD2-CD2 4.07Å; L269-F273 HydrophobicContact CD2-CE2 3.78Å; L269-F273 WeakPolarHBondContact O-CB 3.5Å; L269-F273 WeakPolarHBondContact O-CD2 3.48Å; L269-F273 PolarHBondContact O-N 3.19Å |
| 274 | G | 85 | Confident | 84 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -128.7 | -171.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | W270 | W270-G274 CarbonylContact O-C 3.58Å; W270-G274 WeakPolarHBondContact O-CA 3.45Å; W270-G274 PolarHBondContact O-N 3.48Å |
| 275 | N | 82 | Confident | 83.6 | Confident | 155 Ų | 155 | 67 Ų | 67 | 83% | 0.829 | 36% | 0.359 | S | S | * | . | trans | -96.2 | 94.5 | 173.7 | -63.6 | -42 | 0 | 0 | 0 | 108.3 | W270 P277 | W270-N275 PolarHBondContact NE1-O 3.45Å; N275-P277 WeakPolarHBondContact O-CD 3.29Å | ||
| 276 | F | 79.3 | Confident | 83.2 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | trans | -72.5 | 120.4 | 174.8 | -170 | -101.8 | 0 | 0 | 0 | 109.4 | W8 V267 W270 V271 S282 R286 | W8-F276 HydrophobicContact CZ2-CD1 4.34Å; V267-F276 HydrophobicContact CG1-CE2 4.33Å; V267-F276 HydrophobicContact CG1-CZ 4.44Å; W270-F276 HydrophobicContact CB-CD2 4.39Å; W270-F276 AromaticContact CD2-CD2 3.9Å; W270-F276 HydrophobicContact CD2-CD2 3.9Å; W270-F276 HydrophobicContact CD2-CE2 4.45Å; W270-F276 HydrophobicContact CE3-CD2 4.07Å; W270-F276 HydrophobicContact CE3-CE2 4.15Å; W270-F276 HydrophobicContact CG-CD2 4.05Å; V271-F276 HydrophobicContact CG2-CB 3.85Å; V271-F276 HydrophobicContact CG2-CD1 4.13Å; V271-F276 HydrophobicContact CG2-CD2 4.01Å; V271-F276 HydrophobicContact CG2-CG 3.73Å; F276-S282 VanDerWaalsContact CZ-O 3.31Å; F276-S282 WeakPolarHBondContact CZ-O 3.32Å; F276-R286 HydrophobicContact CZ-CB 4.3Å | ||
| 277 | P | 80.4 | Confident | 82.6 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 31% | 0.312 | 36% | 0.36 | S | S | . | . | trans | -65.2 | 139.3 | -175 | -8.5 | 19.3 | 0 | 0 | 0 | 111.2 | W270 N275 T279 S282 | W270-P277 HydrophobicContact CZ2-CG 4.38Å; N275-P277 WeakPolarHBondContact O-CD 3.29Å; P277-T279 HydrophobicContact CB-CG2 4.01Å; P277-T279 PolarHBondContact O-N 2.89Å; P277-T279 VanDerWaalsContact O-N 3.1Å; P277-S282 WeakPolarHBondContact CB-OG 3.43Å; P277-S282 WeakPolarHBondContact CG-OG 3.49Å; P277-S282 WeakPolarHBondContact O-CB 3.31Å; P277-S282 PolarHBondContact O-OG 3.47Å | ||
| 278 | L | 77 | Confident | 82.4 | Confident | 96 Ų | 96 | 70.6 Ų | 70.6 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | trans | -88 | 59.1 | 173.8 | -58.7 | -179.9 | 0 | 0 | 0 | 110 | V7 W8 | V7-L278 HydrophobicContact CB-CD1 4.06Å; V7-L278 HydrophobicContact CG1-CD1 3.63Å; W8-L278 HydrophobicContact CD2-CD2 4.17Å; W8-L278 HydrophobicContact CH2-CD2 3.58Å; W8-L278 HydrophobicContact CZ2-CD2 3.03Å; W8-L278 HydrophobicContact CZ3-CD2 4.33Å | ||
| 279 | T | 80.6 | Confident | 82.5 | Confident | 73 Ų | 73 | 69.1 Ų | 69.1 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -112.7 | 155.7 | 179 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | P277 A281 S282 F283 | P277-T279 HydrophobicContact CB-CG2 4.01Å; P277-T279 PolarHBondContact O-N 2.89Å; P277-T279 VanDerWaalsContact O-N 3.1Å; T279-A281 PolarHBondContact O-N 3.38Å; T279-S282 WeakPolarHBondContact O-CB 3.34Å; T279-S282 PolarHBondContact O-N 3.44Å; T279-S282 PolarHBondContact OG1-N 3.16Å; T279-S282 PolarHBondContact OG1-OG 2.85Å; T279-F283 PolarHBondContact O-N 2.89Å |
| 280 | E | 74.1 | Confident | 82.2 | Confident | 170 Ų | 170 | 69 Ų | 69 | 79% | 0.794 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -45.3 | -48.2 | 169 | -75.2 | -90.1 | 143.6 | 0 | 0 | 111.6 | S282 F283 V284 | E280-S282 PolarHBondContact O-N 2.99Å; E280-F283 PolarHBondContact O-N 3.31Å; E280-V284 WeakPolarHBondContact O-CG2 3.46Å; E280-V284 PolarHBondContact O-N 3.26Å |
| 281 | A | 77.6 | Confident | 81.9 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 60% | 0.603 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T279 V284 F285 | T279-A281 PolarHBondContact O-N 3.38Å; A281-V284 PolarHBondContact O-N 2.81Å; A281-F285 WeakPolarHBondContact O-CB 3.49Å; A281-F285 PolarHBondContact O-N 2.74Å |
| 282 | S | 77.1 | Confident | 82.1 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 112 | F276 P277 T279 E280 F285 R286 | F276-S282 VanDerWaalsContact CZ-O 3.31Å; F276-S282 WeakPolarHBondContact CZ-O 3.32Å; P277-S282 WeakPolarHBondContact CB-OG 3.43Å; P277-S282 WeakPolarHBondContact CG-OG 3.49Å; P277-S282 WeakPolarHBondContact O-CB 3.31Å; P277-S282 PolarHBondContact O-OG 3.47Å; T279-S282 WeakPolarHBondContact O-CB 3.34Å; T279-S282 PolarHBondContact O-N 3.44Å; T279-S282 PolarHBondContact OG1-N 3.16Å; T279-S282 PolarHBondContact OG1-OG 2.85Å; E280-S282 PolarHBondContact O-N 2.99Å; S282-F285 PolarHBondContact O-N 3.15Å; S282-R286 WeakPolarHBondContact O-CB 3.02Å; S282-R286 PolarHBondContact O-N 3.24Å |
| 283 | F | 75.4 | Confident | 82.3 | Confident | 104 Ų | 104 | 64 Ų | 64 | 46% | 0.456 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -49 | 174.3 | -178.7 | -98.4 | 0 | 0 | 0 | 111.7 | W8 T279 E280 F285 R286 V287 | W8-F283 HydrophobicContact CZ3-CD2 4.38Å; T279-F283 PolarHBondContact O-N 2.89Å; E280-F283 PolarHBondContact O-N 3.31Å; F283-F285 VanDerWaalsContact C-N 3.31Å; F283-F285 PolarHBondContact O-N 2.84Å; F283-R286 WeakPolarHBondContact O-CB 3.44Å; F283-R286 PolarHBondContact O-N 3.22Å; F283-R286 VanDerWaalsContact O-N 3.15Å; F283-V287 HydrophobicContact CD1-CG2 4.19Å; F283-V287 HydrophobicContact CE1-CG2 3.8Å; F283-V287 HydrophobicContact CE2-CG2 4.34Å; F283-V287 HydrophobicContact CZ-CG2 3.88Å; F283-V287 WeakPolarHBondContact O-CG2 3.31Å; F283-V287 PolarHBondContact O-N 3.19Å |
| 284 | V | 80.3 | Confident | 82.3 | Confident | 88 Ų | 88 | 58.9 Ų | 58.9 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 111 | E280 A281 R286 V287 A288 | E280-V284 WeakPolarHBondContact O-CG2 3.46Å; E280-V284 PolarHBondContact O-N 3.26Å; A281-V284 PolarHBondContact O-N 2.81Å; V284-R286 PolarHBondContact O-N 2.93Å; V284-V287 PolarHBondContact O-N 3.35Å; V284-A288 VanDerWaalsContact O-CB 3.29Å; V284-A288 WeakPolarHBondContact O-CB 3.31Å; V284-A288 PolarHBondContact O-N 2.87Å |
| 285 | F | 83.6 | Confident | 82.5 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 37% | 0.373 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 176.3 | 179.6 | -113.1 | 0 | 0 | 0 | 112.1 | V267 A281 S282 F283 A288 A289 | V267-F285 HydrophobicContact CG2-CD1 3.62Å; V267-F285 HydrophobicContact CG2-CE1 3.33Å; V267-F285 HydrophobicContact CG2-CZ 4.21Å; A281-F285 WeakPolarHBondContact O-CB 3.49Å; A281-F285 PolarHBondContact O-N 2.74Å; S282-F285 PolarHBondContact O-N 3.15Å; F283-F285 VanDerWaalsContact C-N 3.31Å; F283-F285 PolarHBondContact O-N 2.84Å; F285-A288 PolarHBondContact O-N 3.34Å; F285-A289 VanDerWaalsContact O-CB 3.29Å; F285-A289 WeakPolarHBondContact O-CB 3.29Å; F285-A289 PolarHBondContact O-N 3.42Å |
| 286 | R | 82.4 | Confident | 82.7 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 23% | 0.226 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.9 | 178.8 | 172.3 | 98.6 | -178.5 | 5 | 111.8 | V267 F276 S282 F283 V284 A289 H290 | V267-R286 HydrophobicContact CG1-CB 4.18Å; V267-R286 HydrophobicContact CG1-CG 3.9Å; F276-R286 HydrophobicContact CZ-CB 4.3Å; S282-R286 WeakPolarHBondContact O-CB 3.02Å; S282-R286 PolarHBondContact O-N 3.24Å; F283-R286 WeakPolarHBondContact O-CB 3.44Å; F283-R286 PolarHBondContact O-N 3.22Å; F283-R286 VanDerWaalsContact O-N 3.15Å; V284-R286 PolarHBondContact O-N 2.93Å; R286-A289 PolarHBondContact O-N 3.46Å; R286-H290 PolarHBondContact O-N 2.99Å; R286-H290 VanDerWaalsContact O-N 3.14Å; R286-H290 PolarHBondContact O-ND1 2.82Å |
| 287 | V | 80.6 | Confident | 83.1 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | Y98 F283 V284 A289 H290 C291 | Y98-V287 HydrophobicContact CD1-CG1 4.37Å; Y98-V287 HydrophobicContact CE1-CG1 4.19Å; Y98-V287 HydrophobicContact CE1-CG2 4.28Å; F283-V287 HydrophobicContact CD1-CG2 4.19Å; F283-V287 HydrophobicContact CE1-CG2 3.8Å; F283-V287 HydrophobicContact CE2-CG2 4.34Å; F283-V287 HydrophobicContact CZ-CG2 3.88Å; F283-V287 WeakPolarHBondContact O-CG2 3.31Å; F283-V287 PolarHBondContact O-N 3.19Å; V284-V287 PolarHBondContact O-N 3.35Å; V287-A289 VanDerWaalsContact C-N 3.32Å; V287-A289 PolarHBondContact O-N 3.38Å; V287-H290 PolarHBondContact O-N 2.91Å; V287-C291 WeakPolarHBondContact O-CB 3.34Å; V287-C291 PolarHBondContact O-N 2.83Å; V287-C291 PolarHBondContact O-SG 3.42Å |
| 288 | A | 84.6 | Confident | 83.5 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V284 F285 H290 C291 L292 | V284-A288 VanDerWaalsContact O-CB 3.29Å; V284-A288 WeakPolarHBondContact O-CB 3.31Å; V284-A288 PolarHBondContact O-N 2.87Å; F285-A288 PolarHBondContact O-N 3.34Å; A288-H290 PolarHBondContact O-N 3.07Å; A288-C291 PolarHBondContact O-N 3.22Å; A288-L292 WeakPolarHBondContact O-CB 3.39Å; A288-L292 PolarHBondContact O-N 2.93Å |
| 289 | A | 89.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P263 V267 F285 R286 V287 A293 | P263-A289 HydrophobicContact CB-CB 3.62Å; V267-A289 HydrophobicContact CG2-CB 4.04Å; F285-A289 VanDerWaalsContact O-CB 3.29Å; F285-A289 WeakPolarHBondContact O-CB 3.29Å; F285-A289 PolarHBondContact O-N 3.42Å; R286-A289 PolarHBondContact O-N 3.46Å; V287-A289 VanDerWaalsContact C-N 3.32Å; V287-A289 PolarHBondContact O-N 3.38Å; A289-A293 PolarHBondContact O-N 3.31Å; A289-A293 VanDerWaalsContact O-N 3.13Å |
| 290 | H | 84.7 | Confident | 84 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -47.1 | 175.5 | -76 | 83.2 | 0 | 0 | 0 | 111.9 | Y98 H264 R286 V287 A288 L292 A293 Y294 | Y98-H290 VanDerWaalsContact OH-CB 3.3Å; Y98-H290 WeakPolarHBondContact OH-CB 3.23Å; H264-H290 AromaticContact CE1-CD2 3.65Å; H264-H290 AromaticContact CE1-NE2 3.37Å; H264-H290 PolarHBondContact CE1-NE2 3.44Å; H264-H290 AromaticContact ND1-CD2 3.61Å; H264-H290 AromaticContact ND1-CE1 3.9Å; H264-H290 AromaticContact ND1-NE2 3.52Å; R286-H290 PolarHBondContact O-N 2.99Å; R286-H290 VanDerWaalsContact O-N 3.14Å; R286-H290 PolarHBondContact O-ND1 2.82Å; V287-H290 PolarHBondContact O-N 2.91Å; A288-H290 PolarHBondContact O-N 3.07Å; H290-L292 VanDerWaalsContact C-N 3.25Å; H290-L292 PolarHBondContact O-N 3.28Å; H290-A293 WeakPolarHBondContact O-CB 3.23Å; H290-A293 PolarHBondContact O-N 3.38Å; H290-A293 VanDerWaalsContact O-N 3.12Å; H290-Y294 HydrophobicContact CB-CD2 4.46Å; H290-Y294 HydrophobicContact CB-CE2 3.85Å; H290-Y294 WeakPolarHBondContact O-CD2 3.39Å; H290-Y294 PolarHBondContact O-N 3.07Å |
| 291 | C | 85.4 | Confident | 84.4 | Confident | 15 Ų | 15 | 34 Ų | 34 | 10% | 0.101 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.4 | -41.5 | 176.2 | -79.4 | 0 | 0 | 0 | 0 | 112.1 | F41 V287 A288 Y294 S295 | F41-C291 HydrophobicContact CD1-CB 3.96Å; F41-C291 HydrophobicContact CE1-CB 3.42Å; F41-C291 VanDerWaalsContact CE1-CB 3.42Å; F41-C291 WeakPolarHBondContact CE1-O 3.28Å; F41-C291 HydrophobicContact CZ-CB 4.19Å; V287-C291 WeakPolarHBondContact O-CB 3.34Å; V287-C291 PolarHBondContact O-N 2.83Å; V287-C291 PolarHBondContact O-SG 3.42Å; A288-C291 PolarHBondContact O-N 3.22Å; C291-Y294 PolarHBondContact O-N 3.26Å; C291-S295 PolarHBondContact O-N 3.46Å; C291-S295 VanDerWaalsContact O-N 3.07Å; C291-S295 PolarHBondContact O-OG 3.16Å |
| 292 | L | 90.2 | Very high | 84.4 | Confident | 68 Ų | 68 | 33.4 Ų | 33.4 | 36% | 0.356 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.7 | -40.8 | 177.7 | -170.2 | 69 | 0 | 0 | 0 | 112 | L259 P263 A288 H290 S295 | L259-L292 VanDerWaalsContact O-CD2 3.29Å; L259-L292 WeakPolarHBondContact O-CD2 3.29Å; P263-L292 HydrophobicContact CG-CD2 3.94Å; A288-L292 WeakPolarHBondContact O-CB 3.39Å; A288-L292 PolarHBondContact O-N 2.93Å; H290-L292 VanDerWaalsContact C-N 3.25Å; H290-L292 PolarHBondContact O-N 3.28Å; L292-S295 WeakPolarHBondContact O-CB 3.34Å; L292-S295 PolarHBondContact O-N 3.23Å |
| 293 | A | 90.4 | Very high | 84.5 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F117 S260 W261 H264 A289 H290 S295 N296 | F117-A293 HydrophobicContact CZ-CB 4.4Å; S260-A293 PolarHBondContact O-N 2.92Å; W261-A293 HydrophobicContact CD2-CB 4.16Å; W261-A293 HydrophobicContact CE3-CB 3.92Å; W261-A293 HydrophobicContact CH2-CB 4.29Å; W261-A293 HydrophobicContact CZ3-CB 4Å; H264-A293 HydrophobicContact CB-CB 4.16Å; A289-A293 PolarHBondContact O-N 3.31Å; A289-A293 VanDerWaalsContact O-N 3.13Å; H290-A293 WeakPolarHBondContact O-CB 3.23Å; H290-A293 PolarHBondContact O-N 3.38Å; H290-A293 VanDerWaalsContact O-N 3.12Å; A293-S295 VanDerWaalsContact C-N 3.25Å; A293-S295 PolarHBondContact O-N 2.85Å; A293-N296 WeakPolarHBondContact O-CB 3.3Å; A293-N296 PolarHBondContact O-N 2.98Å; A293-N296 VanDerWaalsContact O-N 3.17Å |
| 294 | Y | 88.4 | Confident | 84.4 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -31.4 | 177.1 | -61.2 | -31.6 | 0 | 0 | 0 | 113.3 | F42 Y86 I91 Q94 Y98 F117 H290 C291 N296 | F42-Y294 AromaticContact CE1-CD2 3.38Å; F42-Y294 HydrophobicContact CE1-CD2 3.38Å; F42-Y294 AromaticContact CE1-CE2 3.95Å; F42-Y294 HydrophobicContact CE1-CE2 3.95Å; F42-Y294 HydrophobicContact CE1-CG 4.15Å; F42-Y294 AromaticContact CZ-CD2 3.61Å; F42-Y294 HydrophobicContact CZ-CD2 3.61Å; F42-Y294 AromaticContact CZ-CE2 3.81Å; F42-Y294 HydrophobicContact CZ-CE2 3.81Å; Y86-Y294 WeakPolarHBondContact OH-CD1 3.25Å; I91-Y294 HydrophobicContact CD1-CG 4.27Å; Q94-Y294 VanDerWaalsContact CD-OH 3.31Å; Q94-Y294 HydrophobicContact CG-CE1 3.95Å; Q94-Y294 HydrophobicContact CG-CE2 3.82Å; Q94-Y294 VanDerWaalsContact CG-CZ 3.42Å; Q94-Y294 WeakPolarHBondContact CG-OH 3.32Å; Q94-Y294 PolarHBondContact NE2-OH 3.1Å; Q94-Y294 VanDerWaalsContact NE2-OH 3.08Å; Y98-Y294 AromaticContact CE2-CE2 3.91Å; Y98-Y294 HydrophobicContact CE2-CE2 3.91Å; Y98-Y294 WeakPolarHBondContact OH-CE2 3.45Å; Y98-Y294 PolarHBondContact OH-OH 3.48Å; F117-Y294 AromaticContact CD2-CD1 3.92Å; F117-Y294 HydrophobicContact CD2-CD1 3.92Å; F117-Y294 AromaticContact CD2-CE1 3.6Å; F117-Y294 HydrophobicContact CD2-CE1 3.6Å; F117-Y294 AromaticContact CE2-CD1 3.48Å; F117-Y294 HydrophobicContact CE2-CD1 3.48Å; F117-Y294 VanDerWaalsContact CE2-CD1 3.48Å; F117-Y294 AromaticContact CE2-CE1 3.29Å; F117-Y294 HydrophobicContact CE2-CE1 3.29Å; F117-Y294 HydrophobicContact CZ-CD1 4.42Å; F117-Y294 AromaticContact CZ-CE1 3.99Å; F117-Y294 HydrophobicContact CZ-CE1 3.99Å; H290-Y294 HydrophobicContact CB-CD2 4.46Å; H290-Y294 HydrophobicContact CB-CE2 3.85Å; H290-Y294 WeakPolarHBondContact O-CD2 3.39Å; H290-Y294 PolarHBondContact O-N 3.07Å; C291-Y294 PolarHBondContact O-N 3.26Å; Y294-N296 PolarHBondContact O-N 2.91Å |
| 295 | S | 88.5 | Confident | 83.9 | Confident | 15 Ų | 15 | 25.7 Ų | 25.7 | 11% | 0.105 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.4 | -20.8 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | F41 I45 C291 L292 A293 S297 S298 V299 | F41-S295 VanDerWaalsContact CZ-OG 3.22Å; F41-S295 WeakPolarHBondContact CZ-OG 3.31Å; I45-S295 WeakPolarHBondContact CD1-OG 3.43Å; C291-S295 PolarHBondContact O-N 3.46Å; C291-S295 VanDerWaalsContact O-N 3.07Å; C291-S295 PolarHBondContact O-OG 3.16Å; L292-S295 WeakPolarHBondContact O-CB 3.34Å; L292-S295 PolarHBondContact O-N 3.23Å; A293-S295 VanDerWaalsContact C-N 3.25Å; A293-S295 PolarHBondContact O-N 2.85Å; S295-S297 VanDerWaalsContact C-N 3.29Å; S295-S297 PolarHBondContact O-N 2.92Å; S295-S298 PolarHBondContact O-N 3.2Å; S295-V299 WeakPolarHBondContact O-CG2 3.29Å; S295-V299 PolarHBondContact O-N 3.37Å |
| 296 | N | 87.9 | Confident | 83.1 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.5 | -44.6 | -173 | 178.4 | 67 | 0 | 0 | 0 | 112.9 | F257 W261 A293 Y294 S298 V299 | F257-N296 WeakPolarHBondContact CD2-ND2 3.27Å; F257-N296 VanDerWaalsContact CD2-OD1 3.3Å; F257-N296 WeakPolarHBondContact CD2-OD1 3.33Å; W261-N296 PolarHBondContact NE1-ND2 2.86Å; A293-N296 WeakPolarHBondContact O-CB 3.3Å; A293-N296 PolarHBondContact O-N 2.98Å; A293-N296 VanDerWaalsContact O-N 3.17Å; Y294-N296 PolarHBondContact O-N 2.91Å; N296-S298 PolarHBondContact O-N 2.88Å; N296-V299 PolarHBondContact O-N 3.48Å |
| 297 | S | 87.1 | Confident | 82.2 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -23.5 | 179.9 | -70.2 | 0 | 0 | 0 | 0 | 113.8 | N53 D83 Y86 S295 | N53-S297 PolarHBondContact ND2-O 3.24Å; D83-S297 VanDerWaalsContact OD1-CB 3.26Å; D83-S297 WeakPolarHBondContact OD1-CB 3.42Å; D83-S297 PolarHBondContact OD1-OG 3.42Å; Y86-S297 WeakPolarHBondContact CD1-OG 3.39Å; S295-S297 VanDerWaalsContact C-N 3.29Å; S295-S297 PolarHBondContact O-N 2.92Å |
| 298 | S | 87.7 | Confident | 81.6 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -91.2 | -19.5 | -179.9 | -54.1 | 0 | 0 | 0 | 0 | 113.3 | I45 G49 S295 N296 | I45-S298 VanDerWaalsContact CG2-OG 3.27Å; I45-S298 WeakPolarHBondContact CG2-OG 3.48Å; I45-S298 PolarHBondContact O-OG 2.59Å; G49-S298 WeakPolarHBondContact CA-OG 3.48Å; S295-S298 PolarHBondContact O-N 3.2Å; N296-S298 PolarHBondContact O-N 2.88Å |
| 299 | V | 86.1 | Confident | 80.7 | Confident | 46 Ų | 46 | 30 Ų | 30 | 28% | 0.279 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -82 | -27.7 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | V256 S295 N296 V302 I303 | V256-V299 HydrophobicContact CG1-CB 4.3Å; V256-V299 HydrophobicContact CG1-CG1 3.72Å; S295-V299 WeakPolarHBondContact O-CG2 3.29Å; S295-V299 PolarHBondContact O-N 3.37Å; N296-V299 PolarHBondContact O-N 3.48Å; V299-V302 WeakPolarHBondContact O-CB 2.97Å; V299-V302 PolarHBondContact O-N 2.73Å; V299-V302 VanDerWaalsContact O-N 3.08Å; V299-I303 HydrophobicContact CG1-CD1 3.87Å; V299-I303 HydrophobicContact CG1-CG1 3.88Å; V299-I303 WeakPolarHBondContact O-CG1 3.36Å; V299-I303 PolarHBondContact O-N 2.78Å |
| 300 | N | 82.9 | Confident | 79.6 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.1 | -50.2 | -178.5 | -66.8 | -34 | 0 | 0 | 0 | 113.9 | L79 D83 V302 I303 Y304 | L79-N300 HydrophobicContact CD2-CB 4.36Å; D83-N300 PolarHBondContact OD2-ND2 2.96Å; N300-V302 VanDerWaalsContact C-N 3.33Å; N300-V302 PolarHBondContact O-N 3.2Å; N300-I303 PolarHBondContact O-N 3.25Å; N300-Y304 HydrophobicContact CB-CE2 4.32Å; N300-Y304 VanDerWaalsContact O-CD2 3.23Å; N300-Y304 WeakPolarHBondContact O-CD2 3.48Å; N300-Y304 PolarHBondContact O-N 2.86Å; N300-Y304 VanDerWaalsContact O-N 3.11Å |
| 301 | P | 81.5 | Confident | 78.7 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 176.6 | -23.3 | 35.2 | 0 | 0 | 0 | 114 | G52 N53 V56 Y304 A305 | G52-P301 VanDerWaalsContact C-CB 3.46Å; G52-P301 VanDerWaalsContact C-CG 3.42Å; G52-P301 VanDerWaalsContact CA-CB 3.5Å; N53-P301 HydrophobicContact CB-CG 4.35Å; N53-P301 WeakPolarHBondContact OD1-CG 3.33Å; V56-P301 HydrophobicContact CG2-CB 4.15Å; V56-P301 HydrophobicContact CG2-CG 4.48Å; P301-Y304 PolarHBondContact O-N 3.46Å; P301-A305 WeakPolarHBondContact O-CB 3.18Å; P301-A305 PolarHBondContact O-N 2.56Å |
| 302 | V | 78.6 | Confident | 78.1 | Confident | 61 Ų | 61 | 39.7 Ų | 39.7 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -49.2 | 177 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | V299 N300 Y304 A305 F306 | V299-V302 WeakPolarHBondContact O-CB 2.97Å; V299-V302 PolarHBondContact O-N 2.73Å; V299-V302 VanDerWaalsContact O-N 3.08Å; N300-V302 VanDerWaalsContact C-N 3.33Å; N300-V302 PolarHBondContact O-N 3.2Å; V302-Y304 VanDerWaalsContact C-N 3.31Å; V302-Y304 PolarHBondContact O-N 2.79Å; V302-A305 PolarHBondContact O-N 3.27Å; V302-A305 VanDerWaalsContact O-N 3.16Å; V302-F306 HydrophobicContact CG1-CD2 3.69Å; V302-F306 HydrophobicContact CG1-CE2 3.74Å; V302-F306 WeakPolarHBondContact O-CD2 3.42Å; V302-F306 PolarHBondContact O-N 3.02Å |
| 303 | I | 78.9 | Confident | 77.1 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 177.1 | -61.8 | 176.9 | 0 | 0 | 0 | 110.5 | V252 V253 V256 V299 N300 A305 F306 L307 | V252-I303 HydrophobicContact CG1-CG2 4.29Å; V253-I303 HydrophobicContact CB-CD1 4.38Å; V253-I303 HydrophobicContact CB-CG2 4.49Å; V253-I303 HydrophobicContact CG2-CB 4.3Å; V253-I303 HydrophobicContact CG2-CD1 4.28Å; V253-I303 HydrophobicContact CG2-CG2 3.47Å; V253-I303 VanDerWaalsContact CG2-CG2 3.47Å; V256-I303 HydrophobicContact CB-CD1 3.9Å; V256-I303 HydrophobicContact CG1-CD1 4.1Å; V256-I303 HydrophobicContact CG2-CD1 3.86Å; V299-I303 HydrophobicContact CG1-CD1 3.87Å; V299-I303 HydrophobicContact CG1-CG1 3.88Å; V299-I303 WeakPolarHBondContact O-CG1 3.36Å; V299-I303 PolarHBondContact O-N 2.78Å; N300-I303 PolarHBondContact O-N 3.25Å; I303-A305 PolarHBondContact O-N 3.12Å; I303-F306 PolarHBondContact O-N 2.82Å; I303-L307 HydrophobicContact CB-CD1 4.49Å; I303-L307 HydrophobicContact CG2-CD1 3.53Å; I303-L307 VanDerWaalsContact O-CB 3.3Å; I303-L307 WeakPolarHBondContact O-CB 3.37Å; I303-L307 PolarHBondContact O-N 3.43Å |
| 304 | Y | 73.8 | Confident | 76 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | 178.1 | -58.7 | -33.7 | 0 | 0 | 0 | 113.3 | V56 I76 L79 V253 N300 P301 V302 S308 | V56-Y304 HydrophobicContact CG2-CD2 4.25Å; I76-Y304 HydrophobicContact CG2-CD2 4.28Å; I76-Y304 HydrophobicContact CG2-CE2 3.86Å; L79-Y304 WeakPolarHBondContact CD2-OH 3.44Å; V253-Y304 HydrophobicContact CG2-CE1 3.91Å; N300-Y304 HydrophobicContact CB-CE2 4.32Å; N300-Y304 VanDerWaalsContact O-CD2 3.23Å; N300-Y304 WeakPolarHBondContact O-CD2 3.48Å; N300-Y304 PolarHBondContact O-N 2.86Å; N300-Y304 VanDerWaalsContact O-N 3.11Å; P301-Y304 PolarHBondContact O-N 3.46Å; V302-Y304 VanDerWaalsContact C-N 3.31Å; V302-Y304 PolarHBondContact O-N 2.79Å; Y304-S308 WeakPolarHBondContact O-CB 3.31Å; Y304-S308 PolarHBondContact O-N 3.11Å; Y304-S308 VanDerWaalsContact O-N 3.12Å |
| 305 | A | 70.6 | Confident | 75.2 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 26% | 0.256 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P301 V302 I303 Y315 | P301-A305 WeakPolarHBondContact O-CB 3.18Å; P301-A305 PolarHBondContact O-N 2.56Å; V302-A305 PolarHBondContact O-N 3.27Å; V302-A305 VanDerWaalsContact O-N 3.16Å; I303-A305 PolarHBondContact O-N 3.12Å; A305-Y315 HydrophobicContact CB-CD2 4.17Å; A305-Y315 HydrophobicContact CB-CE2 3.73Å |
| 306 | F | 66.7 | Low | 74.5 | Confident | 164 Ų | 164 | 50.3 Ų | 50.3 | 72% | 0.719 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -85.5 | -37.9 | -178.7 | -74.1 | -72.9 | 0 | 0 | 0 | 113.4 | V302 I303 | V302-F306 HydrophobicContact CG1-CD2 3.69Å; V302-F306 HydrophobicContact CG1-CE2 3.74Å; V302-F306 WeakPolarHBondContact O-CD2 3.42Å; V302-F306 PolarHBondContact O-N 3.02Å; I303-F306 PolarHBondContact O-N 2.82Å |
| 307 | L | 63.4 | Low | 73.6 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -101.6 | -24.5 | -168.7 | -69.8 | 151.9 | 0 | 0 | 0 | 114 | T249 V252 I303 | T249-L307 HydrophobicContact CG2-CB 3.65Å; T249-L307 PolarHBondContact OG1-O 2.95Å; V252-L307 HydrophobicContact CB-CD1 3.92Å; V252-L307 HydrophobicContact CG1-CD1 3.65Å; V252-L307 HydrophobicContact CG2-CD1 4.23Å; I303-L307 HydrophobicContact CB-CD1 4.49Å; I303-L307 HydrophobicContact CG2-CD1 3.53Å; I303-L307 VanDerWaalsContact O-CB 3.3Å; I303-L307 WeakPolarHBondContact O-CB 3.37Å; I303-L307 PolarHBondContact O-N 3.43Å |
| 308 | S | 68.2 | Low | 72.8 | Confident | 22 Ų | 22 | 57 Ų | 57 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | trans | -98.6 | 107.3 | 178.3 | -170.3 | 0 | 0 | 0 | 0 | 112.8 | Y304 N310 F311 R312 | Y304-S308 WeakPolarHBondContact O-CB 3.31Å; Y304-S308 PolarHBondContact O-N 3.11Å; Y304-S308 VanDerWaalsContact O-N 3.12Å; S308-N310 PolarHBondContact O-N 3.3Å; S308-F311 PolarHBondContact O-N 3.33Å; S308-F311 WeakPolarHBondContact OG-CD2 3.4Å; S308-R312 PolarHBondContact O-N 3.47Å | ||
| 309 | E | 65.5 | Low | 71.8 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.8 | -34 | 176.4 | -76.5 | -176.8 | -175.1 | 0 | 0 | 113.4 | K245 R312 K313 | K245-E309 HydrophobicContact CD-CG 4.44Å; K245-E309 IonicContact NZ-OE1 2.68Å; K245-E309 PolarHBondContact NZ-OE1 3.01Å; E309-R312 PolarHBondContact O-N 2.9Å; E309-K313 WeakPolarHBondContact O-CG 3.28Å; E309-K313 PolarHBondContact O-N 3.21Å |
| 310 | N | 64.8 | Low | 70.7 | Confident | 122 Ų | 122 | 68 Ų | 68 | 65% | 0.652 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.4 | -43.8 | 179.2 | -67.8 | -24.2 | 0 | 0 | 0 | 110.5 | S308 A314 | S308-N310 PolarHBondContact O-N 3.3Å; N310-A314 WeakPolarHBondContact O-CB 3.47Å; N310-A314 PolarHBondContact O-N 3.41Å; N310-A314 VanDerWaalsContact O-N 3.11Å |
| 311 | F | 66.9 | Low | 69.3 | Low | 14 Ų | 14 | 71.9 Ų | 71.9 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 174.8 | -80.7 | -84.6 | 0 | 0 | 0 | 111.3 | V56 V59 L60 I76 S308 K313 A314 Y315 | V56-F311 HydrophobicContact CG1-CE1 4.19Å; V59-F311 HydrophobicContact CG1-CD1 4.2Å; V59-F311 HydrophobicContact CG1-CE1 4.31Å; L60-F311 HydrophobicContact CD1-CE1 4.47Å; L60-F311 HydrophobicContact CD1-CZ 4.49Å; L60-F311 HydrophobicContact CD2-CE1 4Å; L60-F311 HydrophobicContact CD2-CZ 3.96Å; L60-F311 HydrophobicContact CG-CE1 4.16Å; L60-F311 HydrophobicContact CG-CZ 4.43Å; I76-F311 HydrophobicContact CD1-CE2 3.62Å; I76-F311 HydrophobicContact CD1-CZ 3.77Å; I76-F311 HydrophobicContact CG2-CE1 4.48Å; I76-F311 HydrophobicContact CG2-CZ 3.92Å; S308-F311 PolarHBondContact O-N 3.33Å; S308-F311 WeakPolarHBondContact OG-CD2 3.4Å; F311-K313 VanDerWaalsContact C-N 3.3Å; F311-K313 PolarHBondContact O-N 2.99Å; F311-A314 CarbonylContact O-C 3.56Å; F311-A314 PolarHBondContact O-N 3.05Å; F311-A314 VanDerWaalsContact O-N 3.09Å; F311-Y315 HydrophobicContact CB-CD2 4.19Å; F311-Y315 HydrophobicContact CB-CE2 3.84Å; F311-Y315 WeakPolarHBondContact O-CB 3.37Å; F311-Y315 WeakPolarHBondContact O-CD2 3.45Å; F311-Y315 PolarHBondContact O-N 3.35Å |
| 312 | R | 72.2 | Confident | 68 | Low | 121 Ų | 121 | 77.7 Ų | 77.7 | 46% | 0.457 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.6 | -41.2 | 176.7 | -168.3 | 175 | 67.7 | 171.5 | 0 | 112.9 | S308 E309 K316 | S308-R312 PolarHBondContact O-N 3.47Å; E309-R312 PolarHBondContact O-N 2.9Å; R312-K316 WeakPolarHBondContact O-CG 3.13Å; R312-K316 PolarHBondContact O-N 3.03Å; R312-K316 VanDerWaalsContact O-N 3.15Å |
| 313 | K | 69.5 | Low | 66.5 | Low | 139 Ų | 139 | 82.2 Ų | 82.2 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | 174.9 | -74.1 | 177.6 | -177.8 | 177.8 | 0 | 111.5 | E309 F311 K316 Q317 | E309-K313 WeakPolarHBondContact O-CG 3.28Å; E309-K313 PolarHBondContact O-N 3.21Å; F311-K313 VanDerWaalsContact C-N 3.3Å; F311-K313 PolarHBondContact O-N 2.99Å; K313-K316 PolarHBondContact O-N 3.01Å; K313-Q317 PolarHBondContact O-N 3.39Å; K313-Q317 VanDerWaalsContact O-N 3.12Å |
| 314 | A | 67.9 | Low | 64.6 | Low | 25 Ų | 25 | 83.9 Ų | 83.9 | 21% | 0.207 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V59 N310 F311 Q317 V318 | V59-A314 HydrophobicContact CG1-CB 3.46Å; V59-A314 VanDerWaalsContact CG1-CB 3.46Å; V59-A314 HydrophobicContact CG2-CB 4.29Å; N310-A314 WeakPolarHBondContact O-CB 3.47Å; N310-A314 PolarHBondContact O-N 3.41Å; N310-A314 VanDerWaalsContact O-N 3.11Å; F311-A314 CarbonylContact O-C 3.56Å; F311-A314 PolarHBondContact O-N 3.05Å; F311-A314 VanDerWaalsContact O-N 3.09Å; A314-Q317 WeakPolarHBondContact O-CB 3.46Å; A314-Q317 PolarHBondContact O-N 2.94Å; A314-Q317 VanDerWaalsContact O-N 3.13Å; A314-V318 PolarHBondContact O-N 3.48Å |
| 315 | Y | 71.6 | Confident | 62.9 | Low | 16 Ų | 16 | 91 Ų | 91 | 6% | 0.063 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 173.3 | -72.5 | -35.4 | 0 | 0 | 0 | 111.9 | M55 V56 V59 A305 F311 Q317 V318 F319 | M55-Y315 HydrophobicContact CB-CE1 4.14Å; M55-Y315 HydrophobicContact CE-CD1 3.21Å; M55-Y315 HydrophobicContact CE-CE1 4.01Å; M55-Y315 HydrophobicContact CE-CG 3.64Å; M55-Y315 HydrophobicContact CG-CD1 3.65Å; M55-Y315 HydrophobicContact CG-CE1 3.52Å; M55-Y315 HydrophobicContact SD-CD1 3.29Å; M55-Y315 WeakPolarHBondContact SD-CD1 3.4Å; M55-Y315 HydrophobicContact SD-CE1 3.44Å; M55-Y315 WeakPolarHBondContact SD-CE1 3.49Å; M55-Y315 HydrophobicContact SD-CG 3.93Å; V56-Y315 WeakPolarHBondContact CG2-OH 3.47Å; V59-Y315 HydrophobicContact CG2-CD1 3.57Å; V59-Y315 HydrophobicContact CG2-CE1 3.84Å; A305-Y315 HydrophobicContact CB-CD2 4.17Å; A305-Y315 HydrophobicContact CB-CE2 3.73Å; F311-Y315 HydrophobicContact CB-CD2 4.19Å; F311-Y315 HydrophobicContact CB-CE2 3.84Å; F311-Y315 WeakPolarHBondContact O-CB 3.37Å; F311-Y315 WeakPolarHBondContact O-CD2 3.45Å; F311-Y315 PolarHBondContact O-N 3.35Å; Y315-Q317 PolarHBondContact O-N 3.16Å; Y315-V318 PolarHBondContact O-N 2.94Å; Y315-F319 WeakPolarHBondContact O-CD2 2.95Å; Y315-F319 PolarHBondContact O-N 3.39Å |
| 316 | K | 73.7 | Confident | 61.7 | Low | 133 Ų | 133 | 95 Ų | 95 | 58% | 0.578 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.4 | -34.9 | 174.7 | -73.8 | -176.8 | 179.4 | -166 | 0 | 112.5 | R312 K313 K320 | R312-K316 WeakPolarHBondContact O-CG 3.13Å; R312-K316 PolarHBondContact O-N 3.03Å; R312-K316 VanDerWaalsContact O-N 3.15Å; K313-K316 PolarHBondContact O-N 3.01Å; K316-K320 WeakPolarHBondContact O-CB 3.29Å; K316-K320 WeakPolarHBondContact O-CG 3.39Å; K316-K320 PolarHBondContact O-N 3.45Å |
| 317 | Q | 69.3 | Low | 60.6 | Low | 132 Ų | 132 | 94 Ų | 94 | 62% | 0.617 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.1 | -38.6 | 178.1 | -168.3 | 171.9 | 2.9 | 0 | 0 | 111.9 | K313 A314 Y315 K320 C321 | K313-Q317 PolarHBondContact O-N 3.39Å; K313-Q317 VanDerWaalsContact O-N 3.12Å; A314-Q317 WeakPolarHBondContact O-CB 3.46Å; A314-Q317 PolarHBondContact O-N 2.94Å; A314-Q317 VanDerWaalsContact O-N 3.13Å; Y315-Q317 PolarHBondContact O-N 3.16Å; Q317-K320 PolarHBondContact O-N 3.18Å; Q317-C321 PolarHBondContact O-N 3.45Å; Q317-C321 PolarHBondContact O-SG 3.1Å; Q317-C321 VanDerWaalsContact O-SG 3.35Å |
| 318 | V | 68.4 | Low | 59 | Low | 14 Ų | 14 | 96.8 Ų | 96.8 | 9% | 0.085 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 174.6 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | V59 A314 Y315 C321 Q322 | V59-V318 HydrophobicContact CG2-CG2 3.73Å; A314-V318 PolarHBondContact O-N 3.48Å; Y315-V318 PolarHBondContact O-N 2.94Å; V318-C321 PolarHBondContact O-N 3.1Å; V318-Q322 PolarHBondContact O-N 3.4Å |
| 319 | F | 67.9 | Low | 57.7 | Low | 113 Ų | 113 | 100.8 Ų | 100.8 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.2 | -34.9 | 177.7 | -70.5 | -62.5 | 0 | 0 | 0 | 113.2 | M55 Y315 C321 Q322 I323 | M55-F319 HydrophobicContact CE-CD2 3.73Å; M55-F319 HydrophobicContact CE-CE1 4.36Å; M55-F319 HydrophobicContact CE-CE2 3.04Å; M55-F319 HydrophobicContact CE-CZ 3.41Å; M55-F319 VanDerWaalsContact CE-CZ 3.41Å; M55-F319 HydrophobicContact SD-CE2 4.22Å; M55-F319 HydrophobicContact SD-CZ 4.26Å; Y315-F319 WeakPolarHBondContact O-CD2 2.95Å; Y315-F319 PolarHBondContact O-N 3.39Å; F319-C321 VanDerWaalsContact C-N 3.35Å; F319-Q322 PolarHBondContact O-N 2.76Å; F319-I323 PolarHBondContact O-N 3.11Å |
| 320 | K | 63.6 | Low | 56.4 | Low | 168 Ų | 168 | 102.5 Ų | 102.5 | 73% | 0.73 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -37.2 | 173.8 | -79.8 | -172.9 | 174.7 | -163.3 | 0 | 112.7 | K316 Q317 Q322 G324 | K316-K320 WeakPolarHBondContact O-CB 3.29Å; K316-K320 WeakPolarHBondContact O-CG 3.39Å; K316-K320 PolarHBondContact O-N 3.45Å; Q317-K320 PolarHBondContact O-N 3.18Å; K320-Q322 PolarHBondContact O-N 3.18Å; K320-G324 PolarHBondContact O-N 2.92Å |
| 321 | C | 53.2 | Low | 55.3 | Low | 84 Ų | 84 | 103.5 Ų | 103.5 | 57% | 0.568 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.7 | -8.7 | 175.6 | -67.8 | 0 | 0 | 0 | 0 | 113.9 | Q317 V318 F319 | Q317-C321 PolarHBondContact O-N 3.45Å; Q317-C321 PolarHBondContact O-SG 3.1Å; Q317-C321 VanDerWaalsContact O-SG 3.35Å; V318-C321 PolarHBondContact O-N 3.1Å; F319-C321 VanDerWaalsContact C-N 3.35Å |
| 322 | Q | 52.8 | Low | 54.1 | Low | 127 Ų | 127 | 108 Ų | 108 | 59% | 0.593 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -96 | -22.4 | 173.8 | -76.1 | -179.7 | -33.1 | 0 | 0 | 112.9 | V318 F319 K320 | V318-Q322 PolarHBondContact O-N 3.4Å; F319-Q322 PolarHBondContact O-N 2.76Å; K320-Q322 PolarHBondContact O-N 3.18Å |
| 323 | I | 47.3 | Very low | 52.7 | Low | 156 Ų | 156 | 107.2 Ų | 107.2 | 80% | 0.8 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -95.6 | -16 | 179.2 | -65.8 | 167.4 | 0 | 0 | 0 | 112 | F319 | F319-I323 PolarHBondContact O-N 3.11Å |
| 324 | G | 39.7 | Very low | 51.3 | Low | 45 Ų | 45 | 109.2 Ų | 109.2 | 46% | 0.464 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -108.7 | 106.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | K320 | K320-G324 PolarHBondContact O-N 2.92Š|
| 325 | N | 37.9 | Very low | 50.1 | Low | 155 Ų | 155 | 114.3 Ų | 114.3 | 83% | 0.829 | 60% | 0.6 | S | S | * | * | trans | -54.1 | 147 | 170.5 | -117.3 | -9.6 | 0 | 0 | 0 | 111.1 | ||||
| 326 | V | 45.8 | Very low | 48.5 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 69% | 0.685 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 46.1 | 117.3 | 151.5 | -172.6 | 0 | 0 | 0 | 0 | 117.4 | ||
| 327 | D | 43.3 | Very low | 47 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 77% | 0.77 | 64% | 0.638 | S | S | * | * | trans | 71.2 | 115 | 165.7 | -60.2 | -29.5 | 0 | 0 | 0 | 120.4 | ||||
| 328 | C | 29.5 | Very low | 45.7 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | trans | -167.6 | 112.6 | 139.9 | -112.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 329 | P | 40.5 | Very low | 44.6 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | trans | -110.5 | 79.5 | 141.3 | 32.9 | -20.8 | 0 | 0 | 0 | 108.6 | ||||
| 330 | L | 39.4 | Very low | 43.5 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 62% | 0.618 | 67% | 0.674 | S | S | * | * | trans | -116.7 | 32.7 | 177.6 | -120.4 | 160.9 | 0 | 0 | 0 | 112.5 | I333 | L330-I333 HydrophobicContact CD2-CD1 4.22Š| ||
| 331 | N | 41.1 | Very low | 42.5 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -108.3 | -12.5 | 165.9 | -87.3 | -13.1 | 0 | 0 | 0 | 113.6 | ||
| 332 | D | 42.4 | Very low | 42 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 58% | 0.583 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -83.7 | -20.9 | -179.3 | -70.2 | -28.9 | 0 | 0 | 0 | 113.3 | M336 | D332-M336 PolarHBondContact O-N 3.32Å |
| 333 | I | 42.6 | Very low | 41.6 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 54% | 0.538 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -76.1 | -29.7 | -179.9 | -60.2 | 177.1 | 0 | 0 | 0 | 112 | L330 R337 | L330-I333 HydrophobicContact CD2-CD1 4.22Å; I333-R337 PolarHBondContact O-N 3.27Å; I333-R337 VanDerWaalsContact O-N 3.13Å |
| 334 | K | 40.3 | Very low | 41.2 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 78% | 0.783 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -77.1 | -28.4 | -177.9 | -142.1 | 173.5 | -173.6 | 177.1 | 0 | 112.5 | S338 | K334-S338 PolarHBondContact O-N 2.88Å |
| 335 | E | 41.9 | Very low | 41.1 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -80.7 | -30.1 | 176.4 | -155.4 | 175.1 | 171.6 | 0 | 0 | 112.2 | ||
| 336 | M | 39 | Very low | 41.4 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -73.1 | -38.3 | 171.8 | -78 | -173.5 | 177.1 | 0 | 0 | 113 | D332 S338 K339 A340 | D332-M336 PolarHBondContact O-N 3.32Å; M336-S338 PolarHBondContact O-N 2.97Å; M336-K339 PolarHBondContact O-N 3.02Å; M336-A340 PolarHBondContact O-N 3.25Å |
| 337 | R | 41.7 | Very low | 40.8 | Very low | 185 Ų | 185 | 127.1 Ų | 127.1 | 70% | 0.698 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -67.4 | -36.3 | 178.3 | -150.2 | 175.1 | -155.5 | 156.9 | 5.3 | 112.4 | I333 K339 A340 | I333-R337 PolarHBondContact O-N 3.27Å; I333-R337 VanDerWaalsContact O-N 3.13Å; R337-K339 PolarHBondContact O-N 3.19Å; R337-A340 PolarHBondContact O-N 3.39Å |
| 338 | S | 42.1 | Very low | 40.5 | Very low | 87 Ų | 87 | 126 Ų | 126 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -63.7 | -23.6 | 174.9 | 173 | 0 | 0 | 0 | 0 | 114.1 | K334 M336 | K334-S338 PolarHBondContact O-N 2.88Å; M336-S338 PolarHBondContact O-N 2.97Å |
| 339 | K | 43.7 | Very low | 41 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -92.8 | -12.3 | 177.5 | -82.7 | -178.4 | 175.7 | 174.4 | 0 | 113.7 | M336 R337 | M336-K339 PolarHBondContact O-N 3.02Å; R337-K339 PolarHBondContact O-N 3.19Å |
| 340 | A | 46.2 | Very low | 40.8 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -86.6 | -21.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M336 R337 | M336-A340 PolarHBondContact O-N 3.25Å; R337-A340 PolarHBondContact O-N 3.39Å |
| 341 | D | 42.6 | Very low | 40.7 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -94.5 | 14.5 | -175.6 | -66.1 | -29.2 | 0 | 0 | 0 | 114.1 | P343 | D341-P343 WeakPolarHBondContact O-CD 3.11Š|
| 342 | T | 42.8 | Very low | 40.7 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | trans | -98 | 108.2 | 174.8 | -14.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 343 | P | 43.4 | Very low | 40.6 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -68.1 | 146.3 | 177.7 | 26.3 | -31.6 | 0 | 0 | 0 | 110.7 | D341 S345 | D341-P343 WeakPolarHBondContact O-CD 3.11Å; P343-S345 PolarHBondContact O-N 2.88Å | ||
| 344 | P | 39.8 | Very low | 40.5 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -67.6 | 126 | 179.7 | 26.1 | -31 | 0 | 0 | 0 | 110.4 | T346 | P344-T346 PolarHBondContact O-N 2.89Å; P344-T346 VanDerWaalsContact O-N 3.16Å | ||
| 345 | S | 38 | Very low | 40.5 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -69.1 | 104.8 | 168.8 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | P343 N347 | P343-S345 PolarHBondContact O-N 2.88Å; S345-N347 PolarHBondContact O-N 2.7Å | ||
| 346 | T | 42.6 | Very low | 40.4 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -64.7 | 112.7 | 160.6 | 27.1 | 0 | 0 | 0 | 0 | 109.3 | P344 | P344-T346 PolarHBondContact O-N 2.89Å; P344-T346 VanDerWaalsContact O-N 3.16Å | ||
| 347 | N | 33.9 | Very low | 40.5 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -123.4 | 93.5 | 155.7 | -92.1 | -8.8 | 0 | 0 | 0 | 108.1 | S345 | S345-N347 PolarHBondContact O-N 2.7Š| ||
| 348 | C | 37.2 | Very low | 40.4 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -66.5 | 128.1 | 156.1 | -67.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 349 | T | 41 | Very low | 40.3 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -112.4 | 107.2 | 161.4 | 12.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 350 | N | 34.7 | Very low | 40 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -90.2 | 157.2 | 158.2 | -88.5 | -24.4 | 0 | 0 | 0 | 108.4 | ||||
| 351 | V | 38 | Very low | 39.4 | Very low | 221 Ų | 221 | 135.9 Ų | 135.9 | 100% | 1.339 | 83% | 0.825 | S | S | * | * | trans | 92.4 | 0 | 178.2 | -166.1 | 0 | 0 | 0 | 0 | 114.6 |
Retrieved 351 of 351 residues in 246.9 ms
(Link to these results)