| 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 | 52.7 | Low | 60.9 | Low | 232 Ų | 232 | 127.6 Ų | 127.6 | 100% | 1.143 | 63% | 0.634 | S | S | * | * | 0 | -20.1 | 0 | -85.2 | 176.4 | 163.8 | 0 | 0 | 113.7 | K3 | M1-K3 PolarHBondContact O-N 3.33Š| |||
| 2 | E | 55.8 | Low | 61.1 | Low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.9 | -30.3 | 179.1 | -84.1 | 170.2 | 125 | 0 | 0 | 116.1 | N4 S5 S6 | E2-N4 VanDerWaalsContact C-N 3.31Å; E2-N4 PolarHBondContact O-N 2.99Å; E2-S5 WeakPolarHBondContact CA-OG 3.39Å; E2-S5 PolarHBondContact O-N 2.84Å; E2-S5 PolarHBondContact O-OG 3.07Å; E2-S6 PolarHBondContact O-N 3.42Å; E2-S6 VanDerWaalsContact O-N 3.17Å |
| 3 | K | 56.7 | Low | 60.8 | Low | 180 Ų | 180 | 124.4 Ų | 124.4 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.5 | -29.6 | -176 | -122.4 | 176.1 | -178.1 | 176.8 | 0 | 113.8 | M1 S6 L7 | M1-K3 PolarHBondContact O-N 3.33Å; K3-S6 PolarHBondContact O-OG 2.93Å; K3-L7 PolarHBondContact O-N 3.46Å |
| 4 | N | 59.1 | Low | 60.1 | Low | 116 Ų | 116 | 126 Ų | 126 | 62% | 0.62 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.7 | -36.4 | 175 | -80.5 | 2.1 | 0 | 0 | 0 | 111.1 | E2 S6 L7 W8 | E2-N4 VanDerWaalsContact C-N 3.31Å; E2-N4 PolarHBondContact O-N 2.99Å; N4-S6 VanDerWaalsContact C-N 3.34Å; N4-S6 PolarHBondContact O-N 2.86Å; N4-L7 PolarHBondContact O-N 2.89Å; N4-W8 PolarHBondContact O-N 3.35Å; N4-W8 VanDerWaalsContact O-N 3.1Å |
| 5 | S | 62.5 | Low | 59.6 | Low | 63 Ų | 63 | 123.4 Ų | 123.4 | 44% | 0.441 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.6 | -32.1 | 178 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | E2 K9 | E2-S5 WeakPolarHBondContact CA-OG 3.39Å; E2-S5 PolarHBondContact O-N 2.84Å; E2-S5 PolarHBondContact O-OG 3.07Å; S5-K9 WeakPolarHBondContact O-CB 3.36Å; S5-K9 WeakPolarHBondContact O-CG 3.47Å; S5-K9 PolarHBondContact O-N 3.12Å |
| 6 | S | 69.3 | Low | 59.3 | Low | 70 Ų | 70 | 122.1 Ų | 122.1 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.8 | -34.3 | 175.3 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | E2 K3 N4 K9 S10 | E2-S6 PolarHBondContact O-N 3.42Å; E2-S6 VanDerWaalsContact O-N 3.17Å; K3-S6 PolarHBondContact O-OG 2.93Å; N4-S6 VanDerWaalsContact C-N 3.34Å; N4-S6 PolarHBondContact O-N 2.86Å; S6-K9 PolarHBondContact O-N 3.04Å; S6-S10 PolarHBondContact O-N 2.89Å |
| 7 | L | 68.5 | Low | 59.1 | Low | 102 Ų | 102 | 124.4 Ų | 124.4 | 53% | 0.534 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -69.8 | -43.2 | 178.2 | -136 | 165.9 | 0 | 0 | 0 | 111.1 | K3 N4 S10 L11 | K3-L7 PolarHBondContact O-N 3.46Å; N4-L7 PolarHBondContact O-N 2.89Å; L7-S10 PolarHBondContact O-N 3.09Å; L7-L11 HydrophobicContact CD2-CD1 3.63Å; L7-L11 HydrophobicContact CD2-CG 4.23Å; L7-L11 WeakPolarHBondContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 2.88Å |
| 8 | W | 63.1 | Low | 59.2 | Low | 177 Ų | 177 | 120.9 Ų | 120.9 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.2 | -39.5 | 172.1 | -79 | 107.7 | 0 | 0 | 0 | 112.5 | N4 L11 V12 | N4-W8 PolarHBondContact O-N 3.35Å; N4-W8 VanDerWaalsContact O-N 3.1Å; W8-L11 PolarHBondContact O-N 3.42Å; W8-V12 HydrophobicContact CE3-CG2 4.43Å; W8-V12 WeakPolarHBondContact O-CB 3.36Å; W8-V12 VanDerWaalsContact O-CG2 3.26Å; W8-V12 WeakPolarHBondContact O-CG2 3.45Å; W8-V12 PolarHBondContact O-N 2.81Å |
| 9 | K | 59.7 | Low | 59.4 | Low | 147 Ų | 147 | 121.5 Ų | 121.5 | 64% | 0.639 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.3 | -40 | 174.6 | -81 | -178.5 | 176.4 | -179.4 | 0 | 112.3 | S5 S6 T13 | S5-K9 WeakPolarHBondContact O-CB 3.36Å; S5-K9 WeakPolarHBondContact O-CG 3.47Å; S5-K9 PolarHBondContact O-N 3.12Å; S6-K9 PolarHBondContact O-N 3.04Å; K9-T13 WeakPolarHBondContact O-CA 3.49Å; K9-T13 WeakPolarHBondContact O-CB 3.44Å; K9-T13 PolarHBondContact O-N 3.29Å; K9-T13 PolarHBondContact O-OG1 3.39Å |
| 10 | S | 62.6 | Low | 59.5 | Low | 54 Ų | 54 | 120.8 Ų | 120.8 | 38% | 0.378 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.9 | -43.5 | 174.1 | 173.2 | 0 | 0 | 0 | 0 | 111 | S6 L7 V12 E14 | S6-S10 PolarHBondContact O-N 2.89Å; L7-S10 PolarHBondContact O-N 3.09Å; S10-V12 PolarHBondContact O-N 2.86Å; S10-E14 WeakPolarHBondContact O-CB 3.47Å; S10-E14 PolarHBondContact O-N 3Å; S10-E14 VanDerWaalsContact O-N 3.13Å; S10-E14 PolarHBondContact OG-OE2 3.16Å |
| 11 | L | 60.1 | Low | 59.7 | Low | 93 Ų | 93 | 123.1 Ų | 123.1 | 49% | 0.487 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64 | -35.7 | 177.8 | -82.1 | 164 | 0 | 0 | 0 | 113.9 | L7 W8 H15 | L7-L11 HydrophobicContact CD2-CD1 3.63Å; L7-L11 HydrophobicContact CD2-CG 4.23Å; L7-L11 WeakPolarHBondContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 2.88Å; W8-L11 PolarHBondContact O-N 3.42Å; L11-H15 PolarHBondContact O-CE1 2.8Å; L11-H15 PolarHBondContact O-ND1 3.45Å |
| 12 | V | 62.5 | Low | 60.3 | Low | 108 Ų | 108 | 118 Ų | 118 | 66% | 0.655 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -93.7 | -31.7 | -176.3 | 177.7 | 0 | 0 | 0 | 0 | 112.7 | W8 S10 | W8-V12 HydrophobicContact CE3-CG2 4.43Å; W8-V12 WeakPolarHBondContact O-CB 3.36Å; W8-V12 VanDerWaalsContact O-CG2 3.26Å; W8-V12 WeakPolarHBondContact O-CG2 3.45Å; W8-V12 PolarHBondContact O-N 2.81Å; S10-V12 PolarHBondContact O-N 2.86Å |
| 13 | T | 57.3 | Low | 60.6 | Low | 105 Ų | 105 | 119.7 Ų | 119.7 | 64% | 0.644 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -104.7 | -16.2 | -169.5 | -17.1 | 0 | 0 | 0 | 0 | 113.7 | K9 | K9-T13 WeakPolarHBondContact O-CA 3.49Å; K9-T13 WeakPolarHBondContact O-CB 3.44Å; K9-T13 PolarHBondContact O-N 3.29Å; K9-T13 PolarHBondContact O-OG1 3.39Å |
| 14 | E | 51.7 | Low | 61.1 | Low | 147 Ų | 147 | 118.6 Ų | 118.6 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -103 | 14.6 | 174.5 | -67.7 | -173.8 | 135.5 | 0 | 0 | 113.6 | S10 P16 | S10-E14 WeakPolarHBondContact O-CB 3.47Å; S10-E14 PolarHBondContact O-N 3Å; S10-E14 VanDerWaalsContact O-N 3.13Å; S10-E14 PolarHBondContact OG-OE2 3.16Å; E14-P16 VanDerWaalsContact O-CD 3.27Å; E14-P16 WeakPolarHBondContact O-CD 3.49Å |
| 15 | H | 52.6 | Low | 61.5 | Low | 87 Ų | 87 | 113.9 Ų | 113.9 | 40% | 0.403 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -68.2 | 118.4 | 162.3 | -90.4 | 71 | 0 | 0 | 0 | 107.5 | L11 L17 W69 | L11-H15 PolarHBondContact O-CE1 2.8Å; L11-H15 PolarHBondContact O-ND1 3.45Å; H15-L17 PolarHBondContact O-N 3.02Å; H15-W69 AromaticContact CE1-CZ2 3.92Å; H15-W69 AromaticContact NE2-CE2 3.94Å; H15-W69 AromaticContact NE2-CH2 3.86Å; H15-W69 AromaticContact NE2-CZ2 3.22Å; H15-W69 WeakPolarHBondContact NE2-CZ2 3.38Å |
| 16 | P | 55.2 | Low | 62.3 | Low | 102 Ų | 102 | 117.6 Ų | 117.6 | 66% | 0.662 | 60% | 0.603 | S | S | * | * | trans | -58.5 | 111.3 | 173.7 | 24.5 | -30.5 | 0 | 0 | 0 | 106.3 | E14 C18 | E14-P16 VanDerWaalsContact O-CD 3.27Å; E14-P16 WeakPolarHBondContact O-CD 3.49Å; P16-C18 VanDerWaalsContact C-N 3.34Å; P16-C18 PolarHBondContact O-N 2.91Å | ||
| 17 | L | 55.8 | Low | 62.9 | Low | 162 Ų | 162 | 115.4 Ų | 115.4 | 85% | 0.848 | 59% | 0.592 | S | S | * | * | trans | -56.1 | 106.3 | 168.9 | -72.3 | 165.7 | 0 | 0 | 0 | 105.3 | H15 T19 | H15-L17 PolarHBondContact O-N 3.02Å; L17-T19 PolarHBondContact O-N 2.85Å | ||
| 18 | C | 60.6 | Low | 64 | Low | 62 Ų | 62 | 114.6 Ų | 114.6 | 42% | 0.419 | 60% | 0.6 | S | S | . | * | trans | -59 | 103.1 | 176.3 | -90.3 | 0 | 0 | 0 | 0 | 107.1 | P16 T20 C73 | P16-C18 VanDerWaalsContact C-N 3.34Å; P16-C18 PolarHBondContact O-N 2.91Å; C18-T20 PolarHBondContact O-N 2.9Å; C18-C73 HydrophobicContact CB-CB 3.4Å; C18-C73 WeakPolarHBondContact CB-SG 3.47Å; C18-C73 WeakPolarHBondContact SG-CB 3.2Å; C18-C73 CovalentContact SG-SG 2.06Å; C18-C73 PolarHBondContact SG-SG 2.91Å | ||
| 19 | T | 62.5 | Low | 65.3 | Low | 132 Ų | 132 | 109 Ų | 109 | 81% | 0.81 | 58% | 0.582 | S | S | * | * | trans | -74.8 | -15.9 | -180 | 48 | 0 | 0 | 0 | 0 | 112.1 | L17 | L17-T19 PolarHBondContact O-N 2.85Š| ||
| 20 | T | 61.3 | Low | 66.8 | Low | 106 Ų | 106 | 105 Ų | 105 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -147.7 | 140 | -175.7 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | C18 K22 | C18-T20 PolarHBondContact O-N 2.9Å; T20-K22 PolarHBondContact O-N 2.85Å |
| 21 | W | 64 | Low | 68.3 | Low | 171 Ų | 171 | 107 Ų | 107 | 65% | 0.648 | 57% | 0.568 | S | S | * | * | trans | -58.4 | 132.1 | 166.7 | -67.6 | 80.8 | 0 | 0 | 0 | 109.6 | Q23 V72 I77 | W21-Q23 PolarHBondContact O-N 3.03Å; W21-V72 HydrophobicContact CD2-CG1 4.38Å; W21-V72 HydrophobicContact CE3-CG1 3.67Å; W21-V72 HydrophobicContact CE3-CG2 4.33Å; W21-V72 HydrophobicContact CH2-CG1 3.35Å; W21-V72 HydrophobicContact CZ2-CG1 4.09Å; W21-V72 HydrophobicContact CZ3-CB 4.14Å; W21-V72 HydrophobicContact CZ3-CG1 3.12Å; W21-V72 HydrophobicContact CZ3-CG2 3.86Å; W21-I77 HydrophobicContact CH2-CD1 4.19Å | ||
| 22 | K | 65.1 | Low | 70 | Confident | 124 Ų | 124 | 106.7 Ų | 106.7 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | trans | -63 | 132.9 | 172.6 | -165.9 | 176.8 | 177.9 | -173.2 | 0 | 108.5 | T20 E24 A25 D71 | T20-K22 PolarHBondContact O-N 2.85Å; K22-E24 PolarHBondContact O-N 3.49Å; K22-A25 PolarHBondContact O-N 3.5Å; K22-A25 VanDerWaalsContact O-N 3.14Å; K22-D71 IonicContact NZ-OD1 3.91Å | ||
| 23 | Q | 61.6 | Low | 71.5 | Confident | 205 Ų | 205 | 101.7 Ų | 101.7 | 96% | 0.958 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -13.4 | -177 | -84 | -178.1 | -31.6 | 0 | 0 | 114 | W21 | W21-Q23 PolarHBondContact O-N 3.03Š|
| 24 | E | 67.2 | Low | 73.3 | Confident | 157 Ų | 157 | 98.7 Ų | 98.7 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | 50.5 | 176.3 | -62 | -178 | 171.2 | 0 | 0 | 110.8 | K22 E26 | K22-E24 PolarHBondContact O-N 3.49Å; E24-E26 PolarHBondContact O-N 3.23Å |
| 25 | A | 68.2 | Low | 75.5 | Confident | 17 Ų | 17 | 96.6 Ų | 96.6 | 14% | 0.14 | 51% | 0.512 | C | S | . | . | trans | -63.8 | -23.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K22 G27 W67 | K22-A25 PolarHBondContact O-N 3.5Å; K22-A25 VanDerWaalsContact O-N 3.14Å; A25-G27 PolarHBondContact O-N 3.5Å; A25-W67 HydrophobicContact CB-CZ2 4.44Å; A25-W67 PolarHBondContact O-NE1 2.99Å | ||
| 26 | E | 78.6 | Confident | 77.6 | Confident | 141 Ų | 141 | 93.7 Ų | 93.7 | 66% | 0.659 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -81.5 | 54.5 | 179.5 | -61.5 | 178.8 | -173.3 | 0 | 0 | 112.6 | E24 F30 | E24-E26 PolarHBondContact O-N 3.23Å; E26-F30 HydrophobicContact CB-CD1 4.2Å; E26-F30 HydrophobicContact CG-CD1 4.32Å; E26-F30 HydrophobicContact CG-CE1 4.34Å |
| 27 | G | 83.6 | Confident | 79.6 | Confident | 25 Ų | 25 | 90.7 Ų | 90.7 | 26% | 0.258 | 48% | 0.476 | S | S | . | . | trans | -70.6 | 178.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A25 I29 F30 H31 | A25-G27 PolarHBondContact O-N 3.5Å; G27-I29 PolarHBondContact O-N 2.83Å; G27-I29 VanDerWaalsContact O-N 3.14Å; G27-F30 WeakPolarHBondContact O-CB 3.27Å; G27-F30 PolarHBondContact O-N 3.34Å; G27-H31 PolarHBondContact O-N 3Å | ||
| 28 | A | 90 | Very high | 81.5 | Confident | 85 Ų | 85 | 87.5 Ų | 87.5 | 70% | 0.702 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -56.2 | -33.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H31 L32 | A28-H31 PolarHBondContact O-N 3.06Å; A28-L32 WeakPolarHBondContact O-CB 3.28Å; A28-L32 PolarHBondContact O-N 3.44Å |
| 29 | I | 90.9 | Very high | 83.2 | Confident | 59 Ų | 59 | 87 Ų | 87 | 30% | 0.303 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 179.1 | -55.7 | 177.6 | 0 | 0 | 0 | 110.9 | G27 L32 A33 C63 V66 W67 | G27-I29 PolarHBondContact O-N 2.83Å; G27-I29 VanDerWaalsContact O-N 3.14Å; I29-L32 PolarHBondContact O-N 3.16Å; I29-A33 WeakPolarHBondContact O-CB 3.17Å; I29-A33 PolarHBondContact O-N 3.38Å; I29-C63 HydrophobicContact CG2-CB 4.15Å; I29-C63 VanDerWaalsContact CG2-O 3.23Å; I29-C63 WeakPolarHBondContact CG2-O 3.45Å; I29-V66 HydrophobicContact CD1-CG1 4.18Å; I29-W67 HydrophobicContact CB-CB 4.33Å; I29-W67 HydrophobicContact CG2-CB 3.85Å |
| 30 | F | 91.2 | Very high | 84.7 | Confident | 63 Ų | 63 | 80.7 Ų | 80.7 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 177.1 | 174.5 | -97.1 | 0 | 0 | 0 | 111.6 | E26 G27 A33 S34 W67 | E26-F30 HydrophobicContact CB-CD1 4.2Å; E26-F30 HydrophobicContact CG-CD1 4.32Å; E26-F30 HydrophobicContact CG-CE1 4.34Å; G27-F30 WeakPolarHBondContact O-CB 3.27Å; G27-F30 PolarHBondContact O-N 3.34Å; F30-A33 PolarHBondContact O-N 3.44Å; F30-S34 PolarHBondContact O-N 3.01Å; F30-S34 PolarHBondContact O-OG 3.42Å; F30-W67 HydrophobicContact CB-CD2 4.44Å; F30-W67 HydrophobicContact CB-CG 4.31Å; F30-W67 HydrophobicContact CD2-CD2 4.17Å; F30-W67 AromaticContact CD2-CE2 3.92Å; F30-W67 HydrophobicContact CD2-CE3 4.39Å; F30-W67 HydrophobicContact CD2-CH2 4.11Å; F30-W67 AromaticContact CD2-CZ2 3.88Å; F30-W67 HydrophobicContact CD2-CZ2 3.88Å; F30-W67 HydrophobicContact CD2-CZ3 4.36Å; F30-W67 HydrophobicContact CE2-CH2 4.36Å; F30-W67 HydrophobicContact CE2-CZ2 4.46Å |
| 31 | H | 94.1 | Very high | 86.2 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 175.7 | -72.8 | -60.2 | 0 | 0 | 0 | 112.4 | G27 A28 S34 I35 | G27-H31 PolarHBondContact O-N 3Å; A28-H31 PolarHBondContact O-N 3.06Å; H31-S34 PolarHBondContact O-N 3.3Å; H31-I35 VanDerWaalsContact O-CG1 3.27Å; H31-I35 WeakPolarHBondContact O-CG1 3.11Å; H31-I35 PolarHBondContact O-N 2.81Å |
| 32 | L | 95.6 | Very high | 87.6 | Confident | 87 Ų | 87 | 81.4 Ų | 81.4 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175.1 | 179.4 | 61.8 | 0 | 0 | 0 | 111.5 | A28 I29 S34 I35 L36 | A28-L32 WeakPolarHBondContact O-CB 3.28Å; A28-L32 PolarHBondContact O-N 3.44Å; I29-L32 PolarHBondContact O-N 3.16Å; L32-S34 VanDerWaalsContact C-N 3.31Å; L32-S34 PolarHBondContact O-N 3.44Å; L32-I35 PolarHBondContact O-N 3.14Å; L32-L36 HydrophobicContact CD1-CD1 4.32Å; L32-L36 HydrophobicContact CD1-CG 4.36Å; L32-L36 HydrophobicContact CG-CD1 4.09Å; L32-L36 WeakPolarHBondContact O-CB 3.11Å; L32-L36 VanDerWaalsContact O-CG 3.29Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.48Å |
| 33 | A | 95.5 | Very high | 88.6 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 2% | 0.017 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I29 F30 I35 L36 F37 C63 S64 | I29-A33 WeakPolarHBondContact O-CB 3.17Å; I29-A33 PolarHBondContact O-N 3.38Å; F30-A33 PolarHBondContact O-N 3.44Å; A33-I35 PolarHBondContact O-N 3.27Å; A33-L36 PolarHBondContact O-N 3.45Å; A33-F37 HydrophobicContact CB-CE2 4.27Å; A33-F37 WeakPolarHBondContact O-CD2 3.22Å; A33-F37 WeakPolarHBondContact O-CG 3.42Å; A33-F37 PolarHBondContact O-N 3.08Å; A33-C63 HydrophobicContact CB-CB 3.75Å; A33-S64 WeakPolarHBondContact CB-OG 3.46Å |
| 34 | S | 94.8 | Very high | 89.6 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 30% | 0.301 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 178.2 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | F30 H31 L32 F37 V38 | F30-S34 PolarHBondContact O-N 3.01Å; F30-S34 PolarHBondContact O-OG 3.42Å; H31-S34 PolarHBondContact O-N 3.3Å; L32-S34 VanDerWaalsContact C-N 3.31Å; L32-S34 PolarHBondContact O-N 3.44Å; S34-F37 PolarHBondContact O-N 3.45Å; S34-V38 WeakPolarHBondContact O-CG2 3.28Å; S34-V38 PolarHBondContact O-N 2.69Å |
| 35 | I | 96.9 | Very high | 90.1 | Very high | 102 Ų | 102 | 68 Ų | 68 | 52% | 0.523 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 175.7 | -68.4 | 164.3 | 0 | 0 | 0 | 110.5 | H31 L32 A33 F37 V38 V39 | H31-I35 VanDerWaalsContact O-CG1 3.27Å; H31-I35 WeakPolarHBondContact O-CG1 3.11Å; H31-I35 PolarHBondContact O-N 2.81Å; L32-I35 PolarHBondContact O-N 3.14Å; A33-I35 PolarHBondContact O-N 3.27Å; I35-F37 VanDerWaalsContact C-N 3.3Å; I35-F37 PolarHBondContact O-N 2.83Å; I35-V38 PolarHBondContact O-N 3.26Å; I35-V39 HydrophobicContact CG2-CG2 4.19Å; I35-V39 WeakPolarHBondContact O-CB 3.45Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.29Å; I35-V39 PolarHBondContact O-N 2.84Å |
| 36 | L | 97.2 | Very high | 90.4 | Very high | 26 Ų | 26 | 69.2 Ų | 69.2 | 14% | 0.136 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 177.7 | -72.4 | 169.9 | 0 | 0 | 0 | 112.1 | L32 A33 G40 L56 L59 | L32-L36 HydrophobicContact CD1-CD1 4.32Å; L32-L36 HydrophobicContact CD1-CG 4.36Å; L32-L36 HydrophobicContact CG-CD1 4.09Å; L32-L36 WeakPolarHBondContact O-CB 3.11Å; L32-L36 VanDerWaalsContact O-CG 3.29Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.48Å; A33-L36 PolarHBondContact O-N 3.45Å; L36-G40 WeakPolarHBondContact O-CA 3.44Å; L36-G40 PolarHBondContact O-N 2.81Å; L36-L56 HydrophobicContact CD2-CD2 3.86Å; L36-L59 HydrophobicContact CD1-CB 3.91Å |
| 37 | F | 96.8 | Very high | 90.3 | Very high | 40 Ų | 40 | 64.6 Ų | 64.6 | 18% | 0.175 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.7 | -49.2 | 173.7 | -66.8 | -44.8 | 0 | 0 | 0 | 111.9 | A33 S34 I35 V39 G40 F41 L57 G60 F61 S64 | A33-F37 HydrophobicContact CB-CE2 4.27Å; A33-F37 WeakPolarHBondContact O-CD2 3.22Å; A33-F37 WeakPolarHBondContact O-CG 3.42Å; A33-F37 PolarHBondContact O-N 3.08Å; S34-F37 PolarHBondContact O-N 3.45Å; I35-F37 VanDerWaalsContact C-N 3.3Å; I35-F37 PolarHBondContact O-N 2.83Å; F37-V39 PolarHBondContact O-N 2.89Å; F37-G40 PolarHBondContact O-N 2.89Å; F37-F41 HydrophobicContact CB-CD2 4.49Å; F37-F41 HydrophobicContact CB-CE2 4.31Å; F37-F41 WeakPolarHBondContact O-CD2 3.06Å; F37-F41 PolarHBondContact O-N 2.89Å; F37-L57 HydrophobicContact CD1-CD2 3.84Å; F37-G60 WeakPolarHBondContact CZ-O 3.26Å; F37-F61 AromaticContact CE1-CD1 3.63Å; F37-F61 HydrophobicContact CE1-CD1 3.63Å; F37-F61 HydrophobicContact CE1-CD2 4.17Å; F37-F61 AromaticContact CE1-CE1 3.64Å; F37-F61 HydrophobicContact CE1-CE1 3.64Å; F37-F61 HydrophobicContact CE1-CE2 4.2Å; F37-F61 AromaticContact CE1-CG 3.88Å; F37-F61 HydrophobicContact CE1-CG 3.88Å; F37-F61 AromaticContact CE1-CZ 3.93Å; F37-F61 HydrophobicContact CE1-CZ 3.93Å; F37-F61 AromaticContact CZ-CD1 3.54Å; F37-F61 HydrophobicContact CZ-CD1 3.54Å; F37-F61 AromaticContact CZ-CE1 3.74Å; F37-F61 HydrophobicContact CZ-CE1 3.74Å; F37-F61 HydrophobicContact CZ-CG 4.12Å; F37-F61 HydrophobicContact CZ-CZ 4.48Å; F37-S64 VanDerWaalsContact CE2-OG 3.31Å; F37-S64 WeakPolarHBondContact CE2-OG 3.49Å; F37-S64 WeakPolarHBondContact CZ-OG 3.31Å |
| 38 | V | 96.2 | Very high | 90.3 | Very high | 94 Ų | 94 | 70.6 Ų | 70.6 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -56.7 | -51.5 | 178.4 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | S34 I35 G40 F41 M42 | S34-V38 WeakPolarHBondContact O-CG2 3.28Å; S34-V38 PolarHBondContact O-N 2.69Å; I35-V38 PolarHBondContact O-N 3.26Å; V38-G40 PolarHBondContact O-N 2.88Å; V38-F41 PolarHBondContact O-N 3.28Å; V38-M42 HydrophobicContact CG1-SD 4.42Å; V38-M42 WeakPolarHBondContact O-CG 3.28Å; V38-M42 PolarHBondContact O-N 3.17Å |
| 39 | V | 96 | Very high | 90.3 | Very high | 51 Ų | 51 | 67 Ų | 67 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | -179 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | I35 F37 F41 M42 Y52 L56 | I35-V39 HydrophobicContact CG2-CG2 4.19Å; I35-V39 WeakPolarHBondContact O-CB 3.45Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.29Å; I35-V39 PolarHBondContact O-N 2.84Å; F37-V39 PolarHBondContact O-N 2.89Å; V39-F41 PolarHBondContact O-N 3.16Å; V39-M42 WeakPolarHBondContact O-CB 3.45Å; V39-M42 PolarHBondContact O-N 3.1Å; V39-M42 VanDerWaalsContact O-N 3.11Å; V39-Y52 WeakPolarHBondContact CG1-OH 3.24Å; V39-Y52 WeakPolarHBondContact O-CE1 3.34Å; V39-Y52 PolarHBondContact O-OH 2.77Å; V39-L56 HydrophobicContact CB-CD1 4.37Å; V39-L56 HydrophobicContact CG1-CD1 3.74Å |
| 40 | G | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L36 F37 V38 M42 G43 V53 | L36-G40 WeakPolarHBondContact O-CA 3.44Å; L36-G40 PolarHBondContact O-N 2.81Å; F37-G40 PolarHBondContact O-N 2.89Å; V38-G40 PolarHBondContact O-N 2.88Å; G40-M42 PolarHBondContact O-N 3.12Å; G40-G43 PolarHBondContact O-N 2.93Å; G40-V53 WeakPolarHBondContact O-CG2 3.37Å |
| 41 | F | 92.8 | Very high | 90.3 | Very high | 151 Ų | 151 | 65.9 Ų | 65.9 | 66% | 0.662 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -72.6 | -12.4 | 175.4 | -72.4 | -60.2 | 0 | 0 | 0 | 114 | F37 V38 V39 G43 L57 | F37-F41 HydrophobicContact CB-CD2 4.49Å; F37-F41 HydrophobicContact CB-CE2 4.31Å; F37-F41 WeakPolarHBondContact O-CD2 3.06Å; F37-F41 PolarHBondContact O-N 2.89Å; V38-F41 PolarHBondContact O-N 3.28Å; V39-F41 PolarHBondContact O-N 3.16Å; F41-G43 PolarHBondContact O-N 3.26Å; F41-L57 HydrophobicContact CD1-CD2 4.48Å; F41-L57 HydrophobicContact CD2-CD2 4.28Å; F41-L57 HydrophobicContact CE1-CD1 4.21Å; F41-L57 HydrophobicContact CE1-CD2 4.2Å; F41-L57 HydrophobicContact CE2-CD2 3.98Å; F41-L57 HydrophobicContact CZ-CD2 3.93Å |
| 42 | M | 93.1 | Very high | 90.3 | Very high | 141 Ų | 141 | 65.8 Ų | 65.8 | 70% | 0.695 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 6.4 | 172.9 | -64.9 | 174.7 | 68.2 | 0 | 0 | 113.3 | V38 V39 G40 | V38-M42 HydrophobicContact CG1-SD 4.42Å; V38-M42 WeakPolarHBondContact O-CG 3.28Å; V38-M42 PolarHBondContact O-N 3.17Å; V39-M42 WeakPolarHBondContact O-CB 3.45Å; V39-M42 PolarHBondContact O-N 3.1Å; V39-M42 VanDerWaalsContact O-N 3.11Å; G40-M42 PolarHBondContact O-N 3.12Å |
| 43 | G | 86 | Confident | 90.3 | Very high | 23 Ų | 23 | 63 Ų | 63 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | trans | -60.6 | 141.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G40 F41 | G40-G43 PolarHBondContact O-N 2.93Å; F41-G43 PolarHBondContact O-N 3.26Å | ||
| 44 | G | 82.5 | Confident | 90.3 | Very high | 54 Ų | 54 | 65 Ų | 65 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | trans | -75.7 | -177.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G49 | G44-G49 WeakPolarHBondContact O-CA 3.32Š| ||
| 45 | S | 77.4 | Confident | 90.3 | Very high | 127 Ų | 127 | 65 Ų | 65 | 89% | 0.888 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -82 | 159.5 | 173.3 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 46 | G | 75 | Confident | 90.4 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 44% | 0.443 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 93.2 | 176.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F48 G49 L50 | G46-F48 PolarHBondContact O-N 2.82Å; G46-G49 CarbonylContact O-C 3.55Å; G46-G49 WeakPolarHBondContact O-CA 3.49Å; G46-G49 PolarHBondContact O-N 3.45Å; G46-G49 VanDerWaalsContact O-N 3.11Å; G46-L50 WeakPolarHBondContact O-CG 3.13Å; G46-L50 PolarHBondContact O-N 2.95Å |
| 47 | F | 75.9 | Confident | 90.4 | Very high | 44 Ų | 44 | 61 Ų | 61 | 19% | 0.193 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | -171.1 | -60.7 | -80.3 | 0 | 0 | 0 | 113.5 | G49 L50 L51 I95 V99 L123 P124 | F47-G49 VanDerWaalsContact C-N 3.29Å; F47-G49 PolarHBondContact O-N 3.09Å; F47-L50 PolarHBondContact O-N 3.37Å; F47-L51 WeakPolarHBondContact O-CG 3.49Å; F47-L51 PolarHBondContact O-N 2.92Å; F47-I95 HydrophobicContact CD1-CG2 4.4Å; F47-V99 HydrophobicContact CB-CG2 3.86Å; F47-V99 HydrophobicContact CG-CG2 4.38Å; F47-L123 HydrophobicContact CD1-CB 4.41Å; F47-L123 HydrophobicContact CD1-CD2 4.04Å; F47-L123 HydrophobicContact CD2-CB 3.77Å; F47-L123 HydrophobicContact CD2-CD2 3.66Å; F47-L123 HydrophobicContact CD2-CG 4.34Å; F47-L123 HydrophobicContact CE1-CB 3.82Å; F47-L123 HydrophobicContact CE1-CD2 4.26Å; F47-L123 HydrophobicContact CE2-CB 3.11Å; F47-L123 HydrophobicContact CE2-CD2 3.94Å; F47-L123 HydrophobicContact CE2-CG 4.13Å; F47-L123 HydrophobicContact CG-CB 4.41Å; F47-L123 HydrophobicContact CG-CD2 3.77Å; F47-L123 HydrophobicContact CZ-CB 3.17Å; F47-L123 HydrophobicContact CZ-CD2 4.25Å; F47-L123 HydrophobicContact CZ-CG 4.31Å; F47-P124 HydrophobicContact CE1-CG 4.49Å |
| 48 | F | 84 | Confident | 90.4 | Very high | 151 Ų | 151 | 59.3 Ų | 59.3 | 66% | 0.662 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.6 | -35.4 | 174.7 | -65.1 | -72.5 | 0 | 0 | 0 | 111.7 | G46 L51 Y52 | G46-F48 PolarHBondContact O-N 2.82Å; F48-L51 PolarHBondContact O-N 2.85Å; F48-Y52 VanDerWaalsContact O-CB 3.27Å; F48-Y52 WeakPolarHBondContact O-CB 3.32Å; F48-Y52 PolarHBondContact O-N 3.29Å |
| 49 | G | 89.3 | Confident | 90.4 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 9% | 0.093 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | G44 G46 F47 Y52 V53 | G44-G49 WeakPolarHBondContact O-CA 3.32Å; G46-G49 CarbonylContact O-C 3.55Å; G46-G49 WeakPolarHBondContact O-CA 3.49Å; G46-G49 PolarHBondContact O-N 3.45Å; G46-G49 VanDerWaalsContact O-N 3.11Å; F47-G49 VanDerWaalsContact C-N 3.29Å; F47-G49 PolarHBondContact O-N 3.09Å; G49-Y52 WeakPolarHBondContact O-CB 3.45Å; G49-Y52 PolarHBondContact O-N 3.05Å; G49-V53 VanDerWaalsContact O-CG2 3.22Å; G49-V53 WeakPolarHBondContact O-CG2 3.3Å; G49-V53 PolarHBondContact O-N 3.28Å |
| 50 | L | 90.9 | Very high | 90.5 | Very high | 72 Ų | 72 | 56.7 Ų | 56.7 | 38% | 0.377 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.1 | -67.3 | 169.6 | 0 | 0 | 0 | 112.6 | G46 F47 Y52 V53 F54 I95 | G46-L50 WeakPolarHBondContact O-CG 3.13Å; G46-L50 PolarHBondContact O-N 2.95Å; F47-L50 PolarHBondContact O-N 3.37Å; L50-Y52 VanDerWaalsContact C-N 3.27Å; L50-Y52 PolarHBondContact O-N 2.94Å; L50-V53 PolarHBondContact O-N 3.24Å; L50-F54 HydrophobicContact CB-CD2 4.29Å; L50-F54 HydrophobicContact CB-CE2 4.27Å; L50-F54 HydrophobicContact CD2-CE2 4.13Å; L50-F54 WeakPolarHBondContact O-CB 3.38Å; L50-F54 WeakPolarHBondContact O-CD2 3.3Å; L50-F54 PolarHBondContact O-N 2.94Å; L50-I95 HydrophobicContact CB-CD1 3.87Å; L50-I95 HydrophobicContact CD1-CD1 4.37Å |
| 51 | L | 92.6 | Very high | 90.6 | Very high | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 173.9 | -73.4 | 173.7 | 0 | 0 | 0 | 111.4 | F47 F48 S55 F92 I95 A96 V99 | F47-L51 WeakPolarHBondContact O-CG 3.49Å; F47-L51 PolarHBondContact O-N 2.92Å; F48-L51 PolarHBondContact O-N 2.85Å; L51-S55 WeakPolarHBondContact O-CB 3.49Å; L51-S55 PolarHBondContact O-N 3.16Å; L51-S55 PolarHBondContact O-OG 3.41Å; L51-F92 HydrophobicContact CB-CE2 4.47Å; L51-F92 HydrophobicContact CD2-CD2 3.79Å; L51-F92 HydrophobicContact CD2-CE2 3.83Å; L51-F92 HydrophobicContact CD2-CG 4.46Å; L51-I95 HydrophobicContact CD1-CG2 4.46Å; L51-I95 HydrophobicContact CD2-CB 3.93Å; L51-I95 HydrophobicContact CD2-CG2 3.68Å; L51-I95 HydrophobicContact CG-CG2 3.74Å; L51-A96 HydrophobicContact CD2-CB 4.08Å; L51-V99 HydrophobicContact CD1-CG2 4.36Å |
| 52 | Y | 93.6 | Very high | 90.8 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 37% | 0.373 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -49.1 | 174.6 | 174.2 | -89.6 | 0 | 0 | 0 | 111.5 | V39 F48 G49 L50 S55 L56 | V39-Y52 WeakPolarHBondContact CG1-OH 3.24Å; V39-Y52 WeakPolarHBondContact O-CE1 3.34Å; V39-Y52 PolarHBondContact O-OH 2.77Å; F48-Y52 VanDerWaalsContact O-CB 3.27Å; F48-Y52 WeakPolarHBondContact O-CB 3.32Å; F48-Y52 PolarHBondContact O-N 3.29Å; G49-Y52 WeakPolarHBondContact O-CB 3.45Å; G49-Y52 PolarHBondContact O-N 3.05Å; L50-Y52 VanDerWaalsContact C-N 3.27Å; L50-Y52 PolarHBondContact O-N 2.94Å; Y52-S55 PolarHBondContact O-N 2.66Å; Y52-S55 PolarHBondContact O-OG 3.38Å; Y52-L56 HydrophobicContact CD1-CD1 4Å; Y52-L56 HydrophobicContact CD2-CD1 4.01Å; Y52-L56 HydrophobicContact CE1-CD1 3.49Å; Y52-L56 VanDerWaalsContact CE1-CD1 3.49Å; Y52-L56 HydrophobicContact CE2-CD1 3.5Å; Y52-L56 HydrophobicContact CE2-CG 4.47Å; Y52-L56 HydrophobicContact CG-CD1 4.25Å; Y52-L56 WeakPolarHBondContact O-CB 3.07Å; Y52-L56 WeakPolarHBondContact O-CG 3.06Å; Y52-L56 PolarHBondContact O-N 2.98Å |
| 53 | V | 95.3 | Very high | 90.9 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 17% | 0.17 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.3 | -54.4 | 178.3 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | G40 G49 L50 S55 L56 L57 | G40-V53 WeakPolarHBondContact O-CG2 3.37Å; G49-V53 VanDerWaalsContact O-CG2 3.22Å; G49-V53 WeakPolarHBondContact O-CG2 3.3Å; G49-V53 PolarHBondContact O-N 3.28Å; L50-V53 PolarHBondContact O-N 3.24Å; V53-S55 VanDerWaalsContact C-N 3.33Å; V53-S55 PolarHBondContact O-N 3.48Å; V53-L56 PolarHBondContact O-N 2.93Å; V53-L57 HydrophobicContact CG1-CD1 3.53Å; V53-L57 HydrophobicContact CG1-CG 4.1Å; V53-L57 VanDerWaalsContact O-CB 3.25Å; V53-L57 WeakPolarHBondContact O-CB 3.42Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.09Å; V53-L57 PolarHBondContact O-N 3.48Å |
| 54 | F | 95.7 | Very high | 91.3 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.7 | -28.5 | -176.5 | -70.6 | -59.8 | 0 | 0 | 0 | 113.5 | L50 G58 C88 Q91 F92 I95 | L50-F54 HydrophobicContact CB-CD2 4.29Å; L50-F54 HydrophobicContact CB-CE2 4.27Å; L50-F54 HydrophobicContact CD2-CE2 4.13Å; L50-F54 WeakPolarHBondContact O-CB 3.38Å; L50-F54 WeakPolarHBondContact O-CD2 3.3Å; L50-F54 PolarHBondContact O-N 2.94Å; F54-G58 WeakPolarHBondContact O-CA 3.3Å; F54-G58 PolarHBondContact O-N 3.17Å; F54-C88 HydrophobicContact CD1-CB 4.37Å; F54-Q91 HydrophobicContact CD1-CB 3.85Å; F54-Q91 HydrophobicContact CD1-CG 4.45Å; F54-Q91 HydrophobicContact CD2-CB 3.93Å; F54-Q91 HydrophobicContact CE1-CB 3.83Å; F54-Q91 HydrophobicContact CE1-CG 4Å; F54-Q91 HydrophobicContact CE2-CB 3.91Å; F54-Q91 HydrophobicContact CG-CB 3.92Å; F54-Q91 HydrophobicContact CZ-CB 3.86Å; F54-Q91 HydrophobicContact CZ-CG 4.03Å; F54-F92 HydrophobicContact CB-CB 4.21Å; F54-I95 HydrophobicContact CD2-CD1 3.51Å; F54-I95 HydrophobicContact CE2-CD1 3.49Å; F54-I95 VanDerWaalsContact CE2-CD1 3.49Å |
| 55 | S | 95.8 | Very high | 91.9 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 30% | 0.301 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.2 | -48.2 | 174.1 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | L51 Y52 V53 G58 L59 | L51-S55 WeakPolarHBondContact O-CB 3.49Å; L51-S55 PolarHBondContact O-N 3.16Å; L51-S55 PolarHBondContact O-OG 3.41Å; Y52-S55 PolarHBondContact O-N 2.66Å; Y52-S55 PolarHBondContact O-OG 3.38Å; V53-S55 VanDerWaalsContact C-N 3.33Å; V53-S55 PolarHBondContact O-N 3.48Å; S55-G58 PolarHBondContact O-N 2.93Å; S55-L59 VanDerWaalsContact O-CG 3.3Å; S55-L59 WeakPolarHBondContact O-CG 3.49Å; S55-L59 PolarHBondContact O-N 2.81Å |
| 56 | L | 97.1 | Very high | 92.6 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.7 | -43.8 | -179.8 | -69.6 | 178.7 | 0 | 0 | 0 | 113.1 | L36 V39 Y52 V53 G58 L59 G60 | L36-L56 HydrophobicContact CD2-CD2 3.86Å; V39-L56 HydrophobicContact CB-CD1 4.37Å; V39-L56 HydrophobicContact CG1-CD1 3.74Å; Y52-L56 HydrophobicContact CD1-CD1 4Å; Y52-L56 HydrophobicContact CD2-CD1 4.01Å; Y52-L56 HydrophobicContact CE1-CD1 3.49Å; Y52-L56 VanDerWaalsContact CE1-CD1 3.49Å; Y52-L56 HydrophobicContact CE2-CD1 3.5Å; Y52-L56 HydrophobicContact CE2-CG 4.47Å; Y52-L56 HydrophobicContact CG-CD1 4.25Å; Y52-L56 WeakPolarHBondContact O-CB 3.07Å; Y52-L56 WeakPolarHBondContact O-CG 3.06Å; Y52-L56 PolarHBondContact O-N 2.98Å; V53-L56 PolarHBondContact O-N 2.93Å; L56-G58 VanDerWaalsContact C-N 3.32Å; L56-G58 PolarHBondContact O-N 2.49Å; L56-L59 PolarHBondContact O-N 2.9Å; L56-G60 PolarHBondContact O-N 3.04Å |
| 57 | L | 97 | Very high | 93.4 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 174.1 | -67.4 | -176.8 | 0 | 0 | 0 | 110.9 | F37 F41 V53 L59 G60 F61 | F37-L57 HydrophobicContact CD1-CD2 3.84Å; F41-L57 HydrophobicContact CD1-CD2 4.48Å; F41-L57 HydrophobicContact CD2-CD2 4.28Å; F41-L57 HydrophobicContact CE1-CD1 4.21Å; F41-L57 HydrophobicContact CE1-CD2 4.2Å; F41-L57 HydrophobicContact CE2-CD2 3.98Å; F41-L57 HydrophobicContact CZ-CD2 3.93Å; V53-L57 HydrophobicContact CG1-CD1 3.53Å; V53-L57 HydrophobicContact CG1-CG 4.1Å; V53-L57 VanDerWaalsContact O-CB 3.25Å; V53-L57 WeakPolarHBondContact O-CB 3.42Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.09Å; V53-L57 PolarHBondContact O-N 3.48Å; L57-L59 PolarHBondContact O-N 3.43Å; L57-G60 PolarHBondContact O-N 3.14Å; L57-F61 HydrophobicContact CB-CD2 4.43Å; L57-F61 HydrophobicContact CB-CE2 4.17Å; L57-F61 WeakPolarHBondContact O-CD2 3.42Å; L57-F61 WeakPolarHBondContact O-CG 3.22Å; L57-F61 PolarHBondContact O-N 3.02Å |
| 58 | G | 97.1 | Very high | 94 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -48.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | F54 S55 L56 G60 F61 L62 F85 | F54-G58 WeakPolarHBondContact O-CA 3.3Å; F54-G58 PolarHBondContact O-N 3.17Å; S55-G58 PolarHBondContact O-N 2.93Å; L56-G58 VanDerWaalsContact C-N 3.32Å; L56-G58 PolarHBondContact O-N 2.49Å; G58-G60 VanDerWaalsContact C-N 3.34Å; G58-G60 PolarHBondContact O-N 3.4Å; G58-F61 PolarHBondContact O-N 3.29Å; G58-L62 WeakPolarHBondContact O-CB 3.24Å; G58-L62 PolarHBondContact O-N 2.8Å; G58-F85 VanDerWaalsContact O-CD2 3.26Å; G58-F85 WeakPolarHBondContact O-CD2 3.28Å |
| 59 | L | 97.5 | Very high | 94.1 | Very high | 90 Ų | 90 | 39.1 Ų | 39.1 | 47% | 0.471 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.3 | -40 | 175.2 | -70.5 | 171.6 | 0 | 0 | 0 | 112.1 | L36 S55 L56 L57 L62 C63 | L36-L59 HydrophobicContact CD1-CB 3.91Å; S55-L59 VanDerWaalsContact O-CG 3.3Å; S55-L59 WeakPolarHBondContact O-CG 3.49Å; S55-L59 PolarHBondContact O-N 2.81Å; L56-L59 PolarHBondContact O-N 2.9Å; L57-L59 PolarHBondContact O-N 3.43Å; L59-L62 PolarHBondContact O-N 2.77Å; L59-C63 PolarHBondContact O-N 3.12Å; L59-C63 PolarHBondContact O-SG 3.05Å; L59-C63 VanDerWaalsContact O-SG 3.34Å |
| 60 | G | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | F37 L56 L57 G58 C63 S64 | F37-G60 WeakPolarHBondContact CZ-O 3.26Å; L56-G60 PolarHBondContact O-N 3.04Å; L57-G60 PolarHBondContact O-N 3.14Å; G58-G60 VanDerWaalsContact C-N 3.34Å; G58-G60 PolarHBondContact O-N 3.4Å; G60-C63 PolarHBondContact O-N 3.4Å; G60-S64 WeakPolarHBondContact O-CB 3.43Å; G60-S64 PolarHBondContact O-N 2.93Å; G60-S64 PolarHBondContact O-OG 2.84Å |
| 61 | F | 97.3 | Very high | 93.2 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -36.9 | 174.9 | -71.7 | -53.4 | 0 | 0 | 0 | 112.3 | F37 L57 G58 S64 A65 L84 F85 | F37-F61 AromaticContact CE1-CD1 3.63Å; F37-F61 HydrophobicContact CE1-CD1 3.63Å; F37-F61 HydrophobicContact CE1-CD2 4.17Å; F37-F61 AromaticContact CE1-CE1 3.64Å; F37-F61 HydrophobicContact CE1-CE1 3.64Å; F37-F61 HydrophobicContact CE1-CE2 4.2Å; F37-F61 AromaticContact CE1-CG 3.88Å; F37-F61 HydrophobicContact CE1-CG 3.88Å; F37-F61 AromaticContact CE1-CZ 3.93Å; F37-F61 HydrophobicContact CE1-CZ 3.93Å; F37-F61 AromaticContact CZ-CD1 3.54Å; F37-F61 HydrophobicContact CZ-CD1 3.54Å; F37-F61 AromaticContact CZ-CE1 3.74Å; F37-F61 HydrophobicContact CZ-CE1 3.74Å; F37-F61 HydrophobicContact CZ-CG 4.12Å; F37-F61 HydrophobicContact CZ-CZ 4.48Å; L57-F61 HydrophobicContact CB-CD2 4.43Å; L57-F61 HydrophobicContact CB-CE2 4.17Å; L57-F61 WeakPolarHBondContact O-CD2 3.42Å; L57-F61 WeakPolarHBondContact O-CG 3.22Å; L57-F61 PolarHBondContact O-N 3.02Å; G58-F61 PolarHBondContact O-N 3.29Å; F61-S64 PolarHBondContact O-N 3.44Å; F61-A65 WeakPolarHBondContact O-CB 3.47Å; F61-A65 PolarHBondContact O-N 3.13Å; F61-L84 HydrophobicContact CB-CB 4.45Å; F61-L84 HydrophobicContact CD1-CB 3.71Å; F61-L84 HydrophobicContact CD1-CD1 3.93Å; F61-L84 HydrophobicContact CD1-CG 4.48Å; F61-L84 HydrophobicContact CD2-CB 3.77Å; F61-L84 HydrophobicContact CE1-CB 3.83Å; F61-L84 HydrophobicContact CE1-CD1 3.42Å; F61-L84 VanDerWaalsContact CE1-CD1 3.42Å; F61-L84 HydrophobicContact CE1-CG 4.21Å; F61-L84 HydrophobicContact CE2-CB 3.87Å; F61-L84 HydrophobicContact CG-CB 3.72Å; F61-L84 HydrophobicContact CZ-CB 3.9Å; F61-L84 HydrophobicContact CZ-CD1 3.82Å; F61-L84 HydrophobicContact CZ-CG 4.32Å; F61-F85 HydrophobicContact CB-CB 3.89Å |
| 62 | L | 96.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 40 Ų | 40 | 35% | 0.346 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63 | -47.4 | 173.5 | -178.9 | 63.2 | 0 | 0 | 0 | 111.1 | G58 L59 S64 A65 V66 F85 | G58-L62 WeakPolarHBondContact O-CB 3.24Å; G58-L62 PolarHBondContact O-N 2.8Å; L59-L62 PolarHBondContact O-N 2.77Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 2.82Å; L62-A65 PolarHBondContact O-N 2.71Å; L62-V66 WeakPolarHBondContact O-CG2 3.36Å; L62-V66 PolarHBondContact O-N 2.61Å; L62-F85 HydrophobicContact CB-CD2 3.95Å; L62-F85 HydrophobicContact CB-CE2 4.16Å; L62-F85 HydrophobicContact CB-CG 4.39Å; L62-F85 HydrophobicContact CD1-CE1 4.43Å; L62-F85 HydrophobicContact CD1-CZ 4.44Å; L62-F85 HydrophobicContact CD2-CE2 4.36Å |
| 63 | C | 95.7 | Very high | 91.5 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.6 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | I29 A33 L59 G60 A65 V66 W67 | I29-C63 HydrophobicContact CG2-CB 4.15Å; I29-C63 VanDerWaalsContact CG2-O 3.23Å; I29-C63 WeakPolarHBondContact CG2-O 3.45Å; A33-C63 HydrophobicContact CB-CB 3.75Å; L59-C63 PolarHBondContact O-N 3.12Å; L59-C63 PolarHBondContact O-SG 3.05Å; L59-C63 VanDerWaalsContact O-SG 3.34Å; G60-C63 PolarHBondContact O-N 3.4Å; C63-A65 PolarHBondContact O-N 3.11Å; C63-V66 PolarHBondContact O-N 2.85Å; C63-W67 WeakPolarHBondContact O-CB 3.48Å; C63-W67 PolarHBondContact O-N 2.79Å |
| 64 | S | 94.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -37.7 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | A33 F37 G60 F61 L62 A68 N81 | A33-S64 WeakPolarHBondContact CB-OG 3.46Å; F37-S64 VanDerWaalsContact CE2-OG 3.31Å; F37-S64 WeakPolarHBondContact CE2-OG 3.49Å; F37-S64 WeakPolarHBondContact CZ-OG 3.31Å; G60-S64 WeakPolarHBondContact O-CB 3.43Å; G60-S64 PolarHBondContact O-N 2.93Å; G60-S64 PolarHBondContact O-OG 2.84Å; F61-S64 PolarHBondContact O-N 3.44Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 2.82Å; S64-A68 WeakPolarHBondContact O-CB 3.47Å; S64-A68 PolarHBondContact O-N 3.4Å; S64-N81 VanDerWaalsContact CB-CG 3.5Å; S64-N81 WeakPolarHBondContact CB-OD1 3.27Å |
| 65 | A | 94.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.4 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F61 L62 C63 W67 A68 W69 F78 N81 | F61-A65 WeakPolarHBondContact O-CB 3.47Å; F61-A65 PolarHBondContact O-N 3.13Å; L62-A65 PolarHBondContact O-N 2.71Å; C63-A65 PolarHBondContact O-N 3.11Å; A65-W67 VanDerWaalsContact C-N 3.34Å; A65-W67 PolarHBondContact O-N 2.76Å; A65-A68 PolarHBondContact O-N 3.1Å; A65-W69 WeakPolarHBondContact O-CB 3.44Å; A65-W69 PolarHBondContact O-N 2.9Å; A65-F78 HydrophobicContact CB-CD2 4.09Å; A65-F78 HydrophobicContact CB-CE2 4.32Å; A65-F78 WeakPolarHBondContact O-CD2 3.21Å; A65-N81 HydrophobicContact CB-CB 3.9Å |
| 66 | V | 92.1 | Very high | 90 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 39% | 0.394 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | I29 L62 C63 W69 V70 | I29-V66 HydrophobicContact CD1-CG1 4.18Å; L62-V66 WeakPolarHBondContact O-CG2 3.36Å; L62-V66 PolarHBondContact O-N 2.61Å; C63-V66 PolarHBondContact O-N 2.85Å; V66-W69 PolarHBondContact O-N 2.88Å; V66-V70 HydrophobicContact CG1-CG2 4.28Å; V66-V70 WeakPolarHBondContact O-CB 3.4Å; V66-V70 WeakPolarHBondContact O-CG2 3.31Å; V66-V70 PolarHBondContact O-N 2.79Å |
| 67 | W | 91.2 | Very high | 89.6 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 11% | 0.114 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 175.4 | 170.4 | 70.5 | 0 | 0 | 0 | 112.5 | A25 I29 F30 C63 A65 W69 V70 D71 V72 I77 | A25-W67 HydrophobicContact CB-CZ2 4.44Å; A25-W67 PolarHBondContact O-NE1 2.99Å; I29-W67 HydrophobicContact CB-CB 4.33Å; I29-W67 HydrophobicContact CG2-CB 3.85Å; F30-W67 HydrophobicContact CB-CD2 4.44Å; F30-W67 HydrophobicContact CB-CG 4.31Å; F30-W67 HydrophobicContact CD2-CD2 4.17Å; F30-W67 AromaticContact CD2-CE2 3.92Å; F30-W67 HydrophobicContact CD2-CE3 4.39Å; F30-W67 HydrophobicContact CD2-CH2 4.11Å; F30-W67 AromaticContact CD2-CZ2 3.88Å; F30-W67 HydrophobicContact CD2-CZ2 3.88Å; F30-W67 HydrophobicContact CD2-CZ3 4.36Å; F30-W67 HydrophobicContact CE2-CH2 4.36Å; F30-W67 HydrophobicContact CE2-CZ2 4.46Å; C63-W67 WeakPolarHBondContact O-CB 3.48Å; C63-W67 PolarHBondContact O-N 2.79Å; A65-W67 VanDerWaalsContact C-N 3.34Å; A65-W67 PolarHBondContact O-N 2.76Å; W67-W69 VanDerWaalsContact C-N 3.26Å; W67-W69 PolarHBondContact O-N 3.18Å; W67-V70 PolarHBondContact O-N 2.77Å; W67-D71 PolarHBondContact O-N 2.88Å; W67-V72 HydrophobicContact CD2-CG2 4.21Å; W67-V72 HydrophobicContact CE3-CG2 4.34Å; W67-V72 HydrophobicContact CH2-CG2 3.61Å; W67-V72 HydrophobicContact CZ2-CG2 3.42Å; W67-V72 VanDerWaalsContact CZ2-CG2 3.42Å; W67-V72 HydrophobicContact CZ3-CG2 4.06Å; W67-I77 HydrophobicContact CZ3-CG2 4.22Å |
| 68 | A | 88.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -62.5 | -34.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S64 A65 C73 A74 I77 F78 | S64-A68 WeakPolarHBondContact O-CB 3.47Å; S64-A68 PolarHBondContact O-N 3.4Å; A65-A68 PolarHBondContact O-N 3.1Å; A68-C73 WeakPolarHBondContact O-CA 3.46Å; A68-C73 PolarHBondContact O-N 3.4Å; A68-A74 PolarHBondContact O-N 3Å; A68-I77 HydrophobicContact CB-CB 3.88Å; A68-I77 HydrophobicContact CB-CG2 3.54Å; A68-F78 HydrophobicContact CB-CB 4.15Å |
| 69 | W | 86.6 | Confident | 89.1 | Confident | 130 Ų | 130 | 46.7 Ų | 46.7 | 49% | 0.492 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -73.2 | -43.8 | 177.5 | -171.4 | -92.4 | 0 | 0 | 0 | 112.7 | H15 A65 V66 W67 F78 | H15-W69 AromaticContact CE1-CZ2 3.92Å; H15-W69 AromaticContact NE2-CE2 3.94Å; H15-W69 AromaticContact NE2-CH2 3.86Å; H15-W69 AromaticContact NE2-CZ2 3.22Å; H15-W69 WeakPolarHBondContact NE2-CZ2 3.38Å; A65-W69 WeakPolarHBondContact O-CB 3.44Å; A65-W69 PolarHBondContact O-N 2.9Å; V66-W69 PolarHBondContact O-N 2.88Å; W67-W69 VanDerWaalsContact C-N 3.26Å; W67-W69 PolarHBondContact O-N 3.18Å; W69-F78 HydrophobicContact CB-CD2 4.03Å; W69-F78 HydrophobicContact CB-CE2 4.49Å; W69-F78 HydrophobicContact CD2-CD2 4.43Å; W69-F78 HydrophobicContact CD2-CE2 4.47Å; W69-F78 HydrophobicContact CE3-CB 4.44Å; W69-F78 AromaticContact CE3-CD1 3.93Å; W69-F78 HydrophobicContact CE3-CD1 3.93Å; W69-F78 AromaticContact CE3-CD2 3.78Å; W69-F78 HydrophobicContact CE3-CD2 3.78Å; W69-F78 HydrophobicContact CE3-CE1 4.09Å; W69-F78 AromaticContact CE3-CE2 3.95Å; W69-F78 HydrophobicContact CE3-CE2 3.95Å; W69-F78 AromaticContact CE3-CG 3.77Å; W69-F78 HydrophobicContact CE3-CG 3.77Å; W69-F78 HydrophobicContact CE3-CZ 4.1Å; W69-F78 HydrophobicContact CZ3-CD1 4.1Å; W69-F78 HydrophobicContact CZ3-CE1 4.09Å; W69-F78 HydrophobicContact CZ3-CG 4.4Å; W69-F78 HydrophobicContact CZ3-CZ 4.38Å |
| 70 | V | 84.5 | Confident | 89 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 56% | 0.558 | 27% | 0.27 | S | S | * | . | I | π-helix | trans | -86 | -45 | -172.1 | 175 | 0 | 0 | 0 | 0 | 112.7 | V66 W67 | V66-V70 HydrophobicContact CG1-CG2 4.28Å; V66-V70 WeakPolarHBondContact O-CB 3.4Å; V66-V70 WeakPolarHBondContact O-CG2 3.31Å; V66-V70 PolarHBondContact O-N 2.79Å; W67-V70 PolarHBondContact O-N 2.77Å |
| 71 | D | 77.3 | Confident | 88.9 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -100.5 | -37.3 | -168.8 | -69.4 | -55.9 | 0 | 0 | 0 | 113.2 | K22 W67 | K22-D71 IonicContact NZ-OD1 3.91Å; W67-D71 PolarHBondContact O-N 2.88Å |
| 72 | V | 73 | Confident | 88.9 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -96.8 | -25 | -174.2 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | W21 W67 A74 I77 | W21-V72 HydrophobicContact CD2-CG1 4.38Å; W21-V72 HydrophobicContact CE3-CG1 3.67Å; W21-V72 HydrophobicContact CE3-CG2 4.33Å; W21-V72 HydrophobicContact CH2-CG1 3.35Å; W21-V72 HydrophobicContact CZ2-CG1 4.09Å; W21-V72 HydrophobicContact CZ3-CB 4.14Å; W21-V72 HydrophobicContact CZ3-CG1 3.12Å; W21-V72 HydrophobicContact CZ3-CG2 3.86Å; W67-V72 HydrophobicContact CD2-CG2 4.21Å; W67-V72 HydrophobicContact CE3-CG2 4.34Å; W67-V72 HydrophobicContact CH2-CG2 3.61Å; W67-V72 HydrophobicContact CZ2-CG2 3.42Å; W67-V72 VanDerWaalsContact CZ2-CG2 3.42Å; W67-V72 HydrophobicContact CZ3-CG2 4.06Å; V72-A74 HydrophobicContact CB-CB 4.1Å; V72-A74 HydrophobicContact CG1-CB 3.38Å; V72-A74 PolarHBondContact O-N 2.87Å; V72-A74 VanDerWaalsContact O-N 3.15Å; V72-I77 HydrophobicContact CG1-CD1 4.3Å |
| 73 | C | 76.3 | Confident | 88.9 | Confident | 57 Ų | 57 | 55 Ų | 55 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | trans | 49.2 | 27.6 | -164.8 | -52.5 | 0 | 0 | 0 | 0 | 113.7 | C18 A68 A75 | C18-C73 HydrophobicContact CB-CB 3.4Å; C18-C73 WeakPolarHBondContact CB-SG 3.47Å; C18-C73 WeakPolarHBondContact SG-CB 3.2Å; C18-C73 CovalentContact SG-SG 2.06Å; C18-C73 PolarHBondContact SG-SG 2.91Å; A68-C73 WeakPolarHBondContact O-CA 3.46Å; A68-C73 PolarHBondContact O-N 3.4Å; C73-A75 PolarHBondContact O-N 3.1Å | ||
| 74 | A | 80.9 | Confident | 89 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | trans | -88.3 | 99.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A68 V72 D76 I77 F78 | A68-A74 PolarHBondContact O-N 3Å; V72-A74 HydrophobicContact CB-CB 4.1Å; V72-A74 HydrophobicContact CG1-CB 3.38Å; V72-A74 PolarHBondContact O-N 2.87Å; V72-A74 VanDerWaalsContact O-N 3.15Å; A74-D76 WeakPolarHBondContact CB-OD1 3.41Å; A74-D76 PolarHBondContact O-N 2.72Å; A74-I77 HydrophobicContact CB-CB 3.88Å; A74-I77 HydrophobicContact CB-CD1 3.64Å; A74-I77 HydrophobicContact CB-CG1 3.72Å; A74-I77 PolarHBondContact O-N 3.11Å; A74-F78 WeakPolarHBondContact O-CB 3.48Å; A74-F78 PolarHBondContact O-N 3.48Å | ||
| 75 | A | 85 | Confident | 89.1 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 61% | 0.612 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60 | -34.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | C73 S79 | C73-A75 PolarHBondContact O-N 3.1Å; A75-S79 VanDerWaalsContact O-CB 3.23Å; A75-S79 WeakPolarHBondContact O-CB 3.44Å; A75-S79 PolarHBondContact O-N 3.34Å; A75-S79 PolarHBondContact O-OG 2.92Å |
| 76 | D | 89.2 | Confident | 89.3 | Confident | 99 Ų | 99 | 61 Ų | 61 | 53% | 0.529 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -50.6 | 175.4 | 62.5 | -34.4 | 0 | 0 | 0 | 111.5 | A74 F78 S79 W80 | A74-D76 WeakPolarHBondContact CB-OD1 3.41Å; A74-D76 PolarHBondContact O-N 2.72Å; D76-F78 VanDerWaalsContact C-N 3.35Å; D76-F78 PolarHBondContact O-N 3.38Å; D76-S79 PolarHBondContact O-N 3.06Å; D76-S79 PolarHBondContact O-OG 3.44Å; D76-W80 PolarHBondContact O-N 3.33Å; D76-W80 VanDerWaalsContact O-N 3.08Å |
| 77 | I | 89.7 | Confident | 89.6 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 23% | 0.226 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.8 | -58.8 | 178.4 | 0 | 0 | 0 | 110.3 | W21 W67 A68 V72 A74 N81 | W21-I77 HydrophobicContact CH2-CD1 4.19Å; W67-I77 HydrophobicContact CZ3-CG2 4.22Å; A68-I77 HydrophobicContact CB-CB 3.88Å; A68-I77 HydrophobicContact CB-CG2 3.54Å; V72-I77 HydrophobicContact CG1-CD1 4.3Å; A74-I77 HydrophobicContact CB-CB 3.88Å; A74-I77 HydrophobicContact CB-CD1 3.64Å; A74-I77 HydrophobicContact CB-CG1 3.72Å; A74-I77 PolarHBondContact O-N 3.11Å; I77-N81 WeakPolarHBondContact CG2-ND2 3.5Å; I77-N81 WeakPolarHBondContact O-CB 3.4Å; I77-N81 PolarHBondContact O-N 3.18Å; I77-N81 VanDerWaalsContact O-N 3.12Å; I77-N81 PolarHBondContact O-ND2 3.36Å |
| 78 | F | 91.7 | Very high | 89.8 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 26% | 0.263 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.4 | -50.4 | 174.7 | 168.3 | -99.1 | 0 | 0 | 0 | 111.2 | A65 A68 W69 A74 D76 W80 N81 F82 | A65-F78 HydrophobicContact CB-CD2 4.09Å; A65-F78 HydrophobicContact CB-CE2 4.32Å; A65-F78 WeakPolarHBondContact O-CD2 3.21Å; A68-F78 HydrophobicContact CB-CB 4.15Å; W69-F78 HydrophobicContact CB-CD2 4.03Å; W69-F78 HydrophobicContact CB-CE2 4.49Å; W69-F78 HydrophobicContact CD2-CD2 4.43Å; W69-F78 HydrophobicContact CD2-CE2 4.47Å; W69-F78 HydrophobicContact CE3-CB 4.44Å; W69-F78 AromaticContact CE3-CD1 3.93Å; W69-F78 HydrophobicContact CE3-CD1 3.93Å; W69-F78 AromaticContact CE3-CD2 3.78Å; W69-F78 HydrophobicContact CE3-CD2 3.78Å; W69-F78 HydrophobicContact CE3-CE1 4.09Å; W69-F78 AromaticContact CE3-CE2 3.95Å; W69-F78 HydrophobicContact CE3-CE2 3.95Å; W69-F78 AromaticContact CE3-CG 3.77Å; W69-F78 HydrophobicContact CE3-CG 3.77Å; W69-F78 HydrophobicContact CE3-CZ 4.1Å; W69-F78 HydrophobicContact CZ3-CD1 4.1Å; W69-F78 HydrophobicContact CZ3-CE1 4.09Å; W69-F78 HydrophobicContact CZ3-CG 4.4Å; W69-F78 HydrophobicContact CZ3-CZ 4.38Å; A74-F78 WeakPolarHBondContact O-CB 3.48Å; A74-F78 PolarHBondContact O-N 3.48Å; D76-F78 VanDerWaalsContact C-N 3.35Å; D76-F78 PolarHBondContact O-N 3.38Å; F78-W80 PolarHBondContact O-N 3.45Å; F78-N81 PolarHBondContact O-N 3.14Å; F78-F82 HydrophobicContact CZ-CB 4.39Å; F78-F82 HydrophobicContact CZ-CD2 4.45Å; F78-F82 HydrophobicContact CZ-CG 4.41Å; F78-F82 VanDerWaalsContact O-CB 3.27Å; F78-F82 WeakPolarHBondContact O-CB 3.18Å; F78-F82 PolarHBondContact O-N 3.06Å |
| 79 | S | 92.9 | Very high | 90.2 | Very high | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | -175.3 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | A75 D76 F82 V83 | A75-S79 VanDerWaalsContact O-CB 3.23Å; A75-S79 WeakPolarHBondContact O-CB 3.44Å; A75-S79 PolarHBondContact O-N 3.34Å; A75-S79 PolarHBondContact O-OG 2.92Å; D76-S79 PolarHBondContact O-N 3.06Å; D76-S79 PolarHBondContact O-OG 3.44Å; S79-F82 PolarHBondContact O-N 3.44Å; S79-V83 VanDerWaalsContact O-CG2 3.27Å; S79-V83 WeakPolarHBondContact O-CG2 3.49Å; S79-V83 PolarHBondContact O-N 3.34Å |
| 80 | W | 94.8 | Very high | 90.7 | Very high | 174 Ų | 174 | 65.4 Ų | 65.4 | 66% | 0.659 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.2 | -46.2 | 178.5 | -81.1 | 114.6 | 0 | 0 | 0 | 112.4 | D76 F78 F82 V83 L84 | D76-W80 PolarHBondContact O-N 3.33Å; D76-W80 VanDerWaalsContact O-N 3.08Å; F78-W80 PolarHBondContact O-N 3.45Å; W80-F82 VanDerWaalsContact C-N 3.32Å; W80-F82 PolarHBondContact O-N 3.02Å; W80-V83 PolarHBondContact O-N 3.48Å; W80-L84 VanDerWaalsContact O-CG 3.28Å; W80-L84 WeakPolarHBondContact O-CG 3.31Å; W80-L84 PolarHBondContact O-N 3.23Å |
| 81 | N | 95.2 | Very high | 91.2 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.134 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.4 | -78.6 | -76.5 | 0 | 0 | 0 | 111.7 | S64 A65 I77 F78 L84 F85 | S64-N81 VanDerWaalsContact CB-CG 3.5Å; S64-N81 WeakPolarHBondContact CB-OD1 3.27Å; A65-N81 HydrophobicContact CB-CB 3.9Å; I77-N81 WeakPolarHBondContact CG2-ND2 3.5Å; I77-N81 WeakPolarHBondContact O-CB 3.4Å; I77-N81 PolarHBondContact O-N 3.18Å; I77-N81 VanDerWaalsContact O-N 3.12Å; I77-N81 PolarHBondContact O-ND2 3.36Å; F78-N81 PolarHBondContact O-N 3.14Å; N81-L84 PolarHBondContact O-N 2.98Å; N81-F85 WeakPolarHBondContact O-CB 3.27Å; N81-F85 PolarHBondContact O-N 3.27Å |
| 82 | F | 95.9 | Very high | 92 | Very high | 94 Ų | 94 | 67.1 Ų | 67.1 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 176.3 | -174.5 | -101.7 | 0 | 0 | 0 | 112.2 | F78 S79 W80 L84 F85 V86 | F78-F82 HydrophobicContact CZ-CB 4.39Å; F78-F82 HydrophobicContact CZ-CD2 4.45Å; F78-F82 HydrophobicContact CZ-CG 4.41Å; F78-F82 VanDerWaalsContact O-CB 3.27Å; F78-F82 WeakPolarHBondContact O-CB 3.18Å; F78-F82 PolarHBondContact O-N 3.06Å; S79-F82 PolarHBondContact O-N 3.44Å; W80-F82 VanDerWaalsContact C-N 3.32Å; W80-F82 PolarHBondContact O-N 3.02Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 3.38Å; F82-F85 HydrophobicContact CD2-CD1 4.41Å; F82-F85 HydrophobicContact CE2-CD1 4.37Å; F82-F85 WeakPolarHBondContact O-CB 3.25Å; F82-F85 PolarHBondContact O-N 3.08Å; F82-V86 HydrophobicContact CD1-CG2 4.29Å; F82-V86 HydrophobicContact CE1-CG2 3.9Å; F82-V86 HydrophobicContact CZ-CG2 4.06Å; F82-V86 WeakPolarHBondContact O-CG2 3.42Å; F82-V86 PolarHBondContact O-N 3.3Å |
| 83 | V | 97.2 | Very high | 93.1 | Very high | 70 Ų | 70 | 69.9 Ų | 69.9 | 42% | 0.424 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 174.7 | 168.8 | 0 | 0 | 0 | 0 | 111 | S79 W80 F85 V86 I87 | S79-V83 VanDerWaalsContact O-CG2 3.27Å; S79-V83 WeakPolarHBondContact O-CG2 3.49Å; S79-V83 PolarHBondContact O-N 3.34Å; W80-V83 PolarHBondContact O-N 3.48Å; V83-F85 PolarHBondContact O-N 3.49Å; V83-V86 PolarHBondContact O-N 3.29Å; V83-I87 HydrophobicContact CG1-CD1 3.97Å; V83-I87 WeakPolarHBondContact O-CG1 3.46Å; V83-I87 PolarHBondContact O-N 2.85Å |
| 84 | L | 97.4 | Very high | 93.7 | Very high | 64 Ų | 64 | 71.6 Ų | 71.6 | 34% | 0.335 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 178.2 | -68.7 | 170.6 | 0 | 0 | 0 | 112.5 | F61 W80 N81 F82 I87 C88 | F61-L84 HydrophobicContact CB-CB 4.45Å; F61-L84 HydrophobicContact CD1-CB 3.71Å; F61-L84 HydrophobicContact CD1-CD1 3.93Å; F61-L84 HydrophobicContact CD1-CG 4.48Å; F61-L84 HydrophobicContact CD2-CB 3.77Å; F61-L84 HydrophobicContact CE1-CB 3.83Å; F61-L84 HydrophobicContact CE1-CD1 3.42Å; F61-L84 VanDerWaalsContact CE1-CD1 3.42Å; F61-L84 HydrophobicContact CE1-CG 4.21Å; F61-L84 HydrophobicContact CE2-CB 3.87Å; F61-L84 HydrophobicContact CG-CB 3.72Å; F61-L84 HydrophobicContact CZ-CB 3.9Å; F61-L84 HydrophobicContact CZ-CD1 3.82Å; F61-L84 HydrophobicContact CZ-CG 4.32Å; W80-L84 VanDerWaalsContact O-CG 3.28Å; W80-L84 WeakPolarHBondContact O-CG 3.31Å; W80-L84 PolarHBondContact O-N 3.23Å; N81-L84 PolarHBondContact O-N 2.98Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 3.38Å; L84-I87 PolarHBondContact O-N 3Å; L84-C88 PolarHBondContact O-N 2.93Å; L84-C88 PolarHBondContact O-SG 3.43Å |
| 85 | F | 97.7 | Very high | 94 | Very high | 48 Ų | 48 | 71.5 Ų | 71.5 | 21% | 0.211 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 171.1 | 165.2 | -110.8 | 0 | 0 | 0 | 111.5 | G58 F61 L62 N81 F82 V83 I87 C88 F89 | G58-F85 VanDerWaalsContact O-CD2 3.26Å; G58-F85 WeakPolarHBondContact O-CD2 3.28Å; F61-F85 HydrophobicContact CB-CB 3.89Å; L62-F85 HydrophobicContact CB-CD2 3.95Å; L62-F85 HydrophobicContact CB-CE2 4.16Å; L62-F85 HydrophobicContact CB-CG 4.39Å; L62-F85 HydrophobicContact CD1-CE1 4.43Å; L62-F85 HydrophobicContact CD1-CZ 4.44Å; L62-F85 HydrophobicContact CD2-CE2 4.36Å; N81-F85 WeakPolarHBondContact O-CB 3.27Å; N81-F85 PolarHBondContact O-N 3.27Å; F82-F85 HydrophobicContact CD2-CD1 4.41Å; F82-F85 HydrophobicContact CE2-CD1 4.37Å; F82-F85 WeakPolarHBondContact O-CB 3.25Å; F82-F85 PolarHBondContact O-N 3.08Å; V83-F85 PolarHBondContact O-N 3.49Å; F85-I87 VanDerWaalsContact C-N 3.31Å; F85-I87 PolarHBondContact O-N 3.44Å; F85-C88 PolarHBondContact O-N 3.27Å; F85-F89 WeakPolarHBondContact O-CB 3.41Å; F85-F89 PolarHBondContact O-N 3.24Å |
| 86 | V | 97.8 | Very high | 94.2 | Very high | 54 Ų | 54 | 69.4 Ų | 69.4 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | F82 V83 F89 M90 | F82-V86 HydrophobicContact CD1-CG2 4.29Å; F82-V86 HydrophobicContact CE1-CG2 3.9Å; F82-V86 HydrophobicContact CZ-CG2 4.06Å; F82-V86 WeakPolarHBondContact O-CG2 3.42Å; F82-V86 PolarHBondContact O-N 3.3Å; V83-V86 PolarHBondContact O-N 3.29Å; V86-F89 PolarHBondContact O-N 3.02Å; V86-M90 HydrophobicContact CG1-CG 4.4Å; V86-M90 VanDerWaalsContact O-CG 3.26Å; V86-M90 WeakPolarHBondContact O-CG 3.43Å; V86-M90 PolarHBondContact O-N 2.96Å |
| 87 | I | 97.6 | Very high | 94 | Very high | 89 Ų | 89 | 72 Ų | 72 | 46% | 0.456 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 176.1 | -67.4 | 167.1 | 0 | 0 | 0 | 110.8 | V83 L84 F85 F89 M90 Q91 | V83-I87 HydrophobicContact CG1-CD1 3.97Å; V83-I87 WeakPolarHBondContact O-CG1 3.46Å; V83-I87 PolarHBondContact O-N 2.85Å; L84-I87 PolarHBondContact O-N 3Å; F85-I87 VanDerWaalsContact C-N 3.31Å; F85-I87 PolarHBondContact O-N 3.44Å; I87-F89 VanDerWaalsContact C-N 3.34Å; I87-F89 PolarHBondContact O-N 3.49Å; I87-M90 PolarHBondContact O-N 2.91Å; I87-Q91 WeakPolarHBondContact O-CG 3.28Å; I87-Q91 PolarHBondContact O-N 2.9Å |
| 88 | C | 97.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 71.1 Ų | 71.1 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.1 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | F54 L84 F85 Q91 F92 | F54-C88 HydrophobicContact CD1-CB 4.37Å; L84-C88 PolarHBondContact O-N 2.93Å; L84-C88 PolarHBondContact O-SG 3.43Å; F85-C88 PolarHBondContact O-N 3.27Å; C88-Q91 PolarHBondContact O-N 3.49Å; C88-F92 WeakPolarHBondContact O-CB 3.2Å; C88-F92 PolarHBondContact O-N 3.4Å |
| 89 | F | 96.8 | Very high | 92.5 | Very high | 104 Ų | 104 | 69 Ų | 69 | 46% | 0.456 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 177.7 | -178.8 | -102.7 | 0 | 0 | 0 | 111.8 | F85 V86 I87 Q91 F92 V93 | F85-F89 WeakPolarHBondContact O-CB 3.41Å; F85-F89 PolarHBondContact O-N 3.24Å; V86-F89 PolarHBondContact O-N 3.02Å; I87-F89 VanDerWaalsContact C-N 3.34Å; I87-F89 PolarHBondContact O-N 3.49Å; F89-Q91 VanDerWaalsContact C-N 3.34Å; F89-Q91 PolarHBondContact O-N 3.43Å; F89-F92 WeakPolarHBondContact O-CB 3.48Å; F89-F92 PolarHBondContact O-N 2.91Å; F89-V93 HydrophobicContact CD1-CG2 4.28Å; F89-V93 HydrophobicContact CE1-CG2 3.86Å; F89-V93 HydrophobicContact CE2-CG2 4.11Å; F89-V93 HydrophobicContact CZ-CG2 3.77Å; F89-V93 WeakPolarHBondContact O-CG2 3.08Å; F89-V93 PolarHBondContact O-N 3.43Å |
| 90 | M | 97.1 | Very high | 91.7 | Very high | 116 Ų | 116 | 72.6 Ų | 72.6 | 57% | 0.571 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 176.9 | -69.4 | -63.2 | 175.4 | 0 | 0 | 111.9 | V86 I87 V93 H94 | V86-M90 HydrophobicContact CG1-CG 4.4Å; V86-M90 VanDerWaalsContact O-CG 3.26Å; V86-M90 WeakPolarHBondContact O-CG 3.43Å; V86-M90 PolarHBondContact O-N 2.96Å; I87-M90 PolarHBondContact O-N 2.91Å; M90-V93 PolarHBondContact O-N 3.45Å; M90-H94 VanDerWaalsContact O-CB 3.27Å; M90-H94 WeakPolarHBondContact O-CB 3.29Å; M90-H94 PolarHBondContact O-N 3.16Å |
| 91 | Q | 95.2 | Very high | 90.3 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 174.8 | -69.9 | -65.6 | -8.8 | 0 | 0 | 111.9 | F54 I87 C88 F89 H94 I95 | F54-Q91 HydrophobicContact CD1-CB 3.85Å; F54-Q91 HydrophobicContact CD1-CG 4.45Å; F54-Q91 HydrophobicContact CD2-CB 3.93Å; F54-Q91 HydrophobicContact CE1-CB 3.83Å; F54-Q91 HydrophobicContact CE1-CG 4Å; F54-Q91 HydrophobicContact CE2-CB 3.91Å; F54-Q91 HydrophobicContact CG-CB 3.92Å; F54-Q91 HydrophobicContact CZ-CB 3.86Å; F54-Q91 HydrophobicContact CZ-CG 4.03Å; I87-Q91 WeakPolarHBondContact O-CG 3.28Å; I87-Q91 PolarHBondContact O-N 2.9Å; C88-Q91 PolarHBondContact O-N 3.49Å; F89-Q91 VanDerWaalsContact C-N 3.34Å; F89-Q91 PolarHBondContact O-N 3.43Å; Q91-H94 PolarHBondContact O-N 3.2Å; Q91-I95 WeakPolarHBondContact O-CB 3.45Å; Q91-I95 WeakPolarHBondContact O-CD1 3.21Å; Q91-I95 VanDerWaalsContact O-CG1 3.23Å; Q91-I95 WeakPolarHBondContact O-CG1 3.48Å; Q91-I95 PolarHBondContact O-N 3Å |
| 92 | F | 94.8 | Very high | 88.7 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.9 | -51 | 174.9 | 176.1 | -89.7 | 0 | 0 | 0 | 111.2 | L51 F54 C88 F89 H94 I95 A96 | L51-F92 HydrophobicContact CB-CE2 4.47Å; L51-F92 HydrophobicContact CD2-CD2 3.79Å; L51-F92 HydrophobicContact CD2-CE2 3.83Å; L51-F92 HydrophobicContact CD2-CG 4.46Å; F54-F92 HydrophobicContact CB-CB 4.21Å; C88-F92 WeakPolarHBondContact O-CB 3.2Å; C88-F92 PolarHBondContact O-N 3.4Å; F89-F92 WeakPolarHBondContact O-CB 3.48Å; F89-F92 PolarHBondContact O-N 2.91Å; F92-H94 VanDerWaalsContact C-N 3.34Å; F92-H94 PolarHBondContact O-N 3.11Å; F92-I95 PolarHBondContact O-N 2.93Å; F92-A96 HydrophobicContact CE1-CB 4.35Å; F92-A96 WeakPolarHBondContact O-CB 3.41Å; F92-A96 PolarHBondContact O-N 3.32Å |
| 93 | V | 94.1 | Very high | 86.9 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 179.3 | 171.9 | 0 | 0 | 0 | 0 | 111 | F89 M90 A96 Y97 | F89-V93 HydrophobicContact CD1-CG2 4.28Å; F89-V93 HydrophobicContact CE1-CG2 3.86Å; F89-V93 HydrophobicContact CE2-CG2 4.11Å; F89-V93 HydrophobicContact CZ-CG2 3.77Å; F89-V93 WeakPolarHBondContact O-CG2 3.08Å; F89-V93 PolarHBondContact O-N 3.43Å; M90-V93 PolarHBondContact O-N 3.45Å; V93-A96 PolarHBondContact O-N 3.42Å; V93-Y97 VanDerWaalsContact O-CB 3.27Å; V93-Y97 WeakPolarHBondContact O-CB 3.36Å; V93-Y97 PolarHBondContact O-N 2.9Å |
| 94 | H | 90.7 | Very high | 85 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 177.9 | 174.1 | -115.7 | 0 | 0 | 0 | 111.9 | M90 Q91 F92 Y97 Q98 | M90-H94 VanDerWaalsContact O-CB 3.27Å; M90-H94 WeakPolarHBondContact O-CB 3.29Å; M90-H94 PolarHBondContact O-N 3.16Å; Q91-H94 PolarHBondContact O-N 3.2Å; F92-H94 VanDerWaalsContact C-N 3.34Å; F92-H94 PolarHBondContact O-N 3.11Å; H94-Y97 PolarHBondContact O-N 3.04Å; H94-Q98 PolarHBondContact CE1-NE2 3.4Å; H94-Q98 PolarHBondContact NE2-NE2 2.76Å; H94-Q98 WeakPolarHBondContact O-CG 3.47Å; H94-Q98 PolarHBondContact O-N 3.36Å |
| 95 | I | 87.4 | Confident | 83.9 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69 | -42.2 | 179.1 | -63.9 | 162.6 | 0 | 0 | 0 | 110.6 | F47 L50 L51 F54 Q91 F92 Y97 Q98 V99 | F47-I95 HydrophobicContact CD1-CG2 4.4Å; L50-I95 HydrophobicContact CB-CD1 3.87Å; L50-I95 HydrophobicContact CD1-CD1 4.37Å; L51-I95 HydrophobicContact CD1-CG2 4.46Å; L51-I95 HydrophobicContact CD2-CB 3.93Å; L51-I95 HydrophobicContact CD2-CG2 3.68Å; L51-I95 HydrophobicContact CG-CG2 3.74Å; F54-I95 HydrophobicContact CD2-CD1 3.51Å; F54-I95 HydrophobicContact CE2-CD1 3.49Å; F54-I95 VanDerWaalsContact CE2-CD1 3.49Å; Q91-I95 WeakPolarHBondContact O-CB 3.45Å; Q91-I95 WeakPolarHBondContact O-CD1 3.21Å; Q91-I95 VanDerWaalsContact O-CG1 3.23Å; Q91-I95 WeakPolarHBondContact O-CG1 3.48Å; Q91-I95 PolarHBondContact O-N 3Å; F92-I95 PolarHBondContact O-N 2.93Å; I95-Y97 VanDerWaalsContact C-N 3.29Å; I95-Y97 PolarHBondContact O-N 3.38Å; I95-Q98 WeakPolarHBondContact O-CB 3.45Å; I95-Q98 PolarHBondContact O-N 3Å; I95-Q98 VanDerWaalsContact O-N 3.15Å; I95-V99 HydrophobicContact CG2-CG2 4.26Å; I95-V99 WeakPolarHBondContact O-CG2 3.3Å; I95-V99 PolarHBondContact O-N 3.42Å |
| 96 | A | 87.9 | Confident | 83.2 | Confident | 31 Ų | 31 | 74.8 Ų | 74.8 | 26% | 0.256 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L51 F92 V93 V99 H100 | L51-A96 HydrophobicContact CD2-CB 4.08Å; F92-A96 HydrophobicContact CE1-CB 4.35Å; F92-A96 WeakPolarHBondContact O-CB 3.41Å; F92-A96 PolarHBondContact O-N 3.32Å; V93-A96 PolarHBondContact O-N 3.42Å; A96-V99 PolarHBondContact O-N 2.66Å; A96-H100 WeakPolarHBondContact O-CB 3.06Å; A96-H100 PolarHBondContact O-N 3.43Å |
| 97 | Y | 85.1 | Confident | 82.6 | Confident | 152 Ų | 152 | 73.5 Ų | 73.5 | 60% | 0.596 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 174.2 | -178.8 | -105.1 | 0 | 0 | 0 | 112.3 | V93 H94 I95 S101 | V93-Y97 VanDerWaalsContact O-CB 3.27Å; V93-Y97 WeakPolarHBondContact O-CB 3.36Å; V93-Y97 PolarHBondContact O-N 2.9Å; H94-Y97 PolarHBondContact O-N 3.04Å; I95-Y97 VanDerWaalsContact C-N 3.29Å; I95-Y97 PolarHBondContact O-N 3.38Å; Y97-S101 WeakPolarHBondContact O-CB 3.34Å; Y97-S101 PolarHBondContact O-N 3.11Å; Y97-S101 VanDerWaalsContact O-N 3.16Å; Y97-S101 PolarHBondContact O-OG 3.41Å |
| 98 | Q | 76.7 | Confident | 82.1 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 174.6 | -72.3 | -171.4 | 11.3 | 0 | 0 | 111.6 | H94 I95 S101 I102 | H94-Q98 PolarHBondContact CE1-NE2 3.4Å; H94-Q98 PolarHBondContact NE2-NE2 2.76Å; H94-Q98 WeakPolarHBondContact O-CG 3.47Å; H94-Q98 PolarHBondContact O-N 3.36Å; I95-Q98 WeakPolarHBondContact O-CB 3.45Å; I95-Q98 PolarHBondContact O-N 3Å; I95-Q98 VanDerWaalsContact O-N 3.15Å; Q98-S101 PolarHBondContact O-OG 3Å; Q98-I102 WeakPolarHBondContact O-CD1 3.34Å |
| 99 | V | 73.9 | Confident | 81.7 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.9 | -51 | -180 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | F47 L51 I95 A96 S101 I102 T103 L123 | F47-V99 HydrophobicContact CB-CG2 3.86Å; F47-V99 HydrophobicContact CG-CG2 4.38Å; L51-V99 HydrophobicContact CD1-CG2 4.36Å; I95-V99 HydrophobicContact CG2-CG2 4.26Å; I95-V99 WeakPolarHBondContact O-CG2 3.3Å; I95-V99 PolarHBondContact O-N 3.42Å; A96-V99 PolarHBondContact O-N 2.66Å; V99-S101 VanDerWaalsContact C-N 3.29Å; V99-S101 PolarHBondContact O-N 3.14Å; V99-I102 PolarHBondContact O-N 3.28Å; V99-T103 PolarHBondContact O-N 3.42Å; V99-T103 PolarHBondContact O-OG1 3.1Å; V99-L123 HydrophobicContact CG2-CD2 4.19Å |
| 100 | H | 75.9 | Confident | 81.3 | Confident | 127 Ų | 127 | 72 Ų | 72 | 59% | 0.588 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -56.7 | -41.9 | -177.1 | -175.3 | 68.6 | 0 | 0 | 0 | 112.5 | A96 I102 T103 F104 | A96-H100 WeakPolarHBondContact O-CB 3.06Å; A96-H100 PolarHBondContact O-N 3.43Å; H100-I102 PolarHBondContact O-N 2.76Å; H100-T103 PolarHBondContact O-N 3.43Å; H100-F104 PolarHBondContact O-N 2.99Å |
| 101 | S | 64.2 | Low | 81.1 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -22.4 | 179.6 | 71.6 | 0 | 0 | 0 | 0 | 114.4 | Y97 Q98 V99 R127 | Y97-S101 WeakPolarHBondContact O-CB 3.34Å; Y97-S101 PolarHBondContact O-N 3.11Å; Y97-S101 VanDerWaalsContact O-N 3.16Å; Y97-S101 PolarHBondContact O-OG 3.41Å; Q98-S101 PolarHBondContact O-OG 3Å; V99-S101 VanDerWaalsContact C-N 3.29Å; V99-S101 PolarHBondContact O-N 3.14Å; S101-R127 VanDerWaalsContact CB-NH2 3.35Å; S101-R127 PolarHBondContact OG-NE 3.06Å; S101-R127 PolarHBondContact OG-NH2 3.2Å |
| 102 | I | 61.4 | Low | 80.9 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -98.7 | -34.7 | -179.4 | -59.2 | 162.5 | 0 | 0 | 0 | 110.3 | Q98 V99 H100 F104 F108 L123 F126 R127 | Q98-I102 WeakPolarHBondContact O-CD1 3.34Å; V99-I102 PolarHBondContact O-N 3.28Å; H100-I102 PolarHBondContact O-N 2.76Å; I102-F104 PolarHBondContact O-N 2.87Å; I102-F108 HydrophobicContact CG2-CB 4.47Å; I102-L123 HydrophobicContact CD1-CD1 3.44Å; I102-L123 VanDerWaalsContact CD1-CD1 3.44Å; I102-L123 HydrophobicContact CD1-CD2 3.8Å; I102-L123 HydrophobicContact CD1-CG 3.27Å; I102-L123 HydrophobicContact CG2-CD1 4.03Å; I102-F126 HydrophobicContact CG2-CD1 4.09Å; I102-F126 HydrophobicContact CG2-CE1 3.94Å; I102-R127 HydrophobicContact CD1-CB 3.66Å; I102-R127 HydrophobicContact CD1-CG 3.87Å; I102-R127 HydrophobicContact CG1-CB 4.12Å; I102-R127 HydrophobicContact CG1-CG 3.89Å |
| 103 | T | 58.1 | Low | 80.6 | Confident | 78 Ų | 78 | 63 Ų | 63 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.4 | -25 | 174.2 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | V99 H100 A105 | V99-T103 PolarHBondContact O-N 3.42Å; V99-T103 PolarHBondContact O-OG1 3.1Å; H100-T103 PolarHBondContact O-N 3.43Å; T103-A105 VanDerWaalsContact C-N 3.27Å; T103-A105 PolarHBondContact O-N 3.42Å |
| 104 | F | 59.1 | Low | 80.5 | Confident | 178 Ų | 178 | 62 Ų | 62 | 78% | 0.781 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.8 | -173.6 | -164.9 | -99.4 | 0 | 0 | 0 | 114.7 | H100 I102 | H100-F104 PolarHBondContact O-N 2.99Å; I102-F104 PolarHBondContact O-N 2.87Å |
| 105 | A | 73.7 | Confident | 80.6 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | trans | -110.7 | 114.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T103 E107 F108 H109 | T103-A105 VanDerWaalsContact C-N 3.27Å; T103-A105 PolarHBondContact O-N 3.42Å; A105-E107 PolarHBondContact O-N 3.24Å; A105-F108 HydrophobicContact CB-CB 4.49Å; A105-F108 HydrophobicContact CB-CD2 3.4Å; A105-F108 VanDerWaalsContact CB-CD2 3.4Å; A105-F108 HydrophobicContact CB-CE2 3.88Å; A105-F108 HydrophobicContact CB-CG 4.22Å; A105-F108 PolarHBondContact O-N 3.23Å; A105-H109 PolarHBondContact O-N 2.74Å | ||
| 106 | R | 83.2 | Confident | 80.8 | Confident | 197 Ų | 197 | 59 Ų | 59 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -49.9 | -34.4 | 175.2 | 177.8 | -179.5 | 164.4 | -170.3 | -4.8 | 111.4 | H109 V110 | R106-H109 PolarHBondContact O-N 2.89Å; R106-V110 VanDerWaalsContact O-CG2 3.31Å; R106-V110 WeakPolarHBondContact O-CG2 3.49Å; R106-V110 PolarHBondContact O-N 3.5Å |
| 107 | E | 84.9 | Confident | 80.8 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 178.3 | -62.6 | 78.6 | -170.3 | 0 | 0 | 112.3 | A105 V110 L111 V135 V159 R208 | A105-E107 PolarHBondContact O-N 3.24Å; E107-V110 PolarHBondContact O-N 2.79Å; E107-L111 VanDerWaalsContact O-CB 3.23Å; E107-L111 WeakPolarHBondContact O-CB 3.33Å; E107-L111 PolarHBondContact O-N 3.04Å; E107-V135 HydrophobicContact CB-CG1 4.18Å; E107-V135 HydrophobicContact CB-CG2 4.18Å; E107-V135 HydrophobicContact CG-CG1 3.74Å; E107-V159 HydrophobicContact CB-CG1 4.09Å; E107-V159 HydrophobicContact CB-CG2 4.48Å; E107-V159 HydrophobicContact CG-CG1 4.34Å; E107-R208 WeakPolarHBondContact OE1-CD 3.48Å; E107-R208 IonicContact OE1-CZ 3.26Å; E107-R208 IonicContact OE1-NE 3.9Å; E107-R208 IonicContact OE1-NH1 3.45Å; E107-R208 PolarHBondContact OE1-NH1 3.39Å |
| 108 | F | 88 | Confident | 81.1 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 11% | 0.114 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.9 | -37.2 | 177.9 | -70.4 | -49.3 | 0 | 0 | 0 | 111.9 | I102 A105 Y112 F126 A130 S133 V135 V210 | I102-F108 HydrophobicContact CG2-CB 4.47Å; A105-F108 HydrophobicContact CB-CB 4.49Å; A105-F108 HydrophobicContact CB-CD2 3.4Å; A105-F108 VanDerWaalsContact CB-CD2 3.4Å; A105-F108 HydrophobicContact CB-CE2 3.88Å; A105-F108 HydrophobicContact CB-CG 4.22Å; A105-F108 PolarHBondContact O-N 3.23Å; F108-Y112 VanDerWaalsContact O-CB 3.23Å; F108-Y112 WeakPolarHBondContact O-CB 3.5Å; F108-Y112 PolarHBondContact O-N 2.73Å; F108-F126 HydrophobicContact CB-CE1 4.04Å; F108-F126 HydrophobicContact CB-CZ 4.19Å; F108-F126 HydrophobicContact CD1-CZ 4.24Å; F108-F126 WeakPolarHBondContact O-CE1 3.11Å; F108-F126 WeakPolarHBondContact O-CZ 3.4Å; F108-A130 HydrophobicContact CD1-CB 3.84Å; F108-A130 HydrophobicContact CD2-CB 4.37Å; F108-A130 HydrophobicContact CE1-CB 3.91Å; F108-A130 HydrophobicContact CE2-CB 4.46Å; F108-A130 HydrophobicContact CG-CB 4.11Å; F108-A130 HydrophobicContact CZ-CB 4.25Å; F108-S133 WeakPolarHBondContact CE1-OG 3.2Å; F108-V135 HydrophobicContact CE1-CG2 4.19Å; F108-V135 HydrophobicContact CE2-CG2 3.94Å; F108-V135 HydrophobicContact CZ-CG2 3.71Å; F108-V210 HydrophobicContact CD1-CG2 4.24Å; F108-V210 HydrophobicContact CE1-CG1 3.8Å; F108-V210 HydrophobicContact CE1-CG2 3.94Å |
| 109 | H | 86.8 | Confident | 81.8 | Confident | 99 Ų | 99 | 64.4 Ų | 64.4 | 46% | 0.458 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 174.8 | 179.3 | -85.7 | 0 | 0 | 0 | 111.3 | A105 R106 Y112 S113 | A105-H109 PolarHBondContact O-N 2.74Å; R106-H109 PolarHBondContact O-N 2.89Å; H109-Y112 PolarHBondContact O-N 2.65Å; H109-S113 WeakPolarHBondContact O-CB 3.42Å; H109-S113 PolarHBondContact O-N 3.24Å; H109-S113 PolarHBondContact O-OG 2.99Å; H109-S113 VanDerWaalsContact O-OG 3.14Å |
| 110 | V | 89.8 | Confident | 82.5 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 179.3 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | R106 E107 Y112 S113 S114 F178 | R106-V110 VanDerWaalsContact O-CG2 3.31Å; R106-V110 WeakPolarHBondContact O-CG2 3.49Å; R106-V110 PolarHBondContact O-N 3.5Å; E107-V110 PolarHBondContact O-N 2.79Å; V110-Y112 PolarHBondContact O-N 2.75Å; V110-S113 WeakPolarHBondContact CA-OG 3.37Å; V110-S113 PolarHBondContact O-N 3Å; V110-S113 PolarHBondContact O-OG 2.95Å; V110-S114 WeakPolarHBondContact O-CB 3.49Å; V110-S114 PolarHBondContact O-N 3.16Å; V110-S114 PolarHBondContact O-OG 3.14Å; V110-S114 VanDerWaalsContact O-OG 3.13Å; V110-F178 HydrophobicContact CG1-CE1 3.72Å; V110-F178 HydrophobicContact CG1-CZ 3.56Å |
| 111 | L | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 175.9 | -176.1 | 68.1 | 0 | 0 | 0 | 111.9 | E107 S114 L115 F116 F126 V157 F178 V210 W212 | E107-L111 VanDerWaalsContact O-CB 3.23Å; E107-L111 WeakPolarHBondContact O-CB 3.33Å; E107-L111 PolarHBondContact O-N 3.04Å; L111-S114 PolarHBondContact O-N 3.04Å; L111-L115 HydrophobicContact CD1-CD1 3.62Å; L111-L115 HydrophobicContact CD1-CG 4.34Å; L111-L115 PolarHBondContact O-N 3.37Å; L111-F116 HydrophobicContact CD2-CE2 4.2Å; L111-F116 HydrophobicContact CG-CD2 4.35Å; L111-F116 HydrophobicContact CG-CE2 3.99Å; L111-F126 HydrophobicContact CD2-CE2 4.21Å; L111-F126 HydrophobicContact CD2-CZ 4.28Å; L111-F126 HydrophobicContact CG-CE2 4.43Å; L111-V157 HydrophobicContact CD1-CB 4.43Å; L111-V157 HydrophobicContact CD1-CG1 3.71Å; L111-F178 HydrophobicContact CD1-CD1 4.4Å; L111-V210 HydrophobicContact CD2-CB 4.21Å; L111-V210 HydrophobicContact CD2-CG1 4.31Å; L111-V210 HydrophobicContact CD2-CG2 4.03Å; L111-W212 HydrophobicContact CD2-CH2 4.26Å |
| 112 | Y | 90.6 | Very high | 84.3 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 14% | 0.137 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -61.6 | -47.8 | 177.4 | 178.4 | -107.3 | 0 | 0 | 0 | 111.5 | F108 H109 V110 S114 F116 K117 I121 L123 F126 | F108-Y112 VanDerWaalsContact O-CB 3.23Å; F108-Y112 WeakPolarHBondContact O-CB 3.5Å; F108-Y112 PolarHBondContact O-N 2.73Å; H109-Y112 PolarHBondContact O-N 2.65Å; V110-Y112 PolarHBondContact O-N 2.75Å; Y112-S114 VanDerWaalsContact C-N 3.3Å; Y112-S114 PolarHBondContact O-N 3.05Å; Y112-F116 HydrophobicContact CD2-CB 3.66Å; Y112-F116 HydrophobicContact CE2-CB 4.12Å; Y112-F116 PolarHBondContact O-N 3.09Å; Y112-F116 VanDerWaalsContact O-N 3.13Å; Y112-K117 HydrophobicContact CD1-CB 4.44Å; Y112-K117 HydrophobicContact CE1-CB 4.2Å; Y112-K117 WeakPolarHBondContact O-CB 3.27Å; Y112-K117 PolarHBondContact O-N 2.86Å; Y112-I121 WeakPolarHBondContact CE2-O 3.22Å; Y112-I121 PolarHBondContact OH-O 2.83Å; Y112-I121 VanDerWaalsContact OH-O 3.12Å; Y112-L123 HydrophobicContact CD1-CD1 4.17Å; Y112-L123 HydrophobicContact CD2-CD1 4.2Å; Y112-L123 HydrophobicContact CE1-CD1 3.97Å; Y112-L123 HydrophobicContact CE2-CD1 4Å; Y112-L123 HydrophobicContact CG-CD1 4.27Å; Y112-F126 HydrophobicContact CD2-CB 3.7Å; Y112-F126 AromaticContact CD2-CD1 3.65Å; Y112-F126 HydrophobicContact CD2-CD1 3.65Å; Y112-F126 AromaticContact CD2-CD2 3.95Å; Y112-F126 HydrophobicContact CD2-CD2 3.95Å; Y112-F126 HydrophobicContact CD2-CE1 4.26Å; Y112-F126 AromaticContact CD2-CG 3.46Å; Y112-F126 HydrophobicContact CD2-CG 3.46Å; Y112-F126 VanDerWaalsContact CD2-CG 3.46Å; Y112-F126 HydrophobicContact CE2-CB 3.9Å; Y112-F126 HydrophobicContact CE2-CG 4.19Å; Y112-F126 HydrophobicContact CG-CD1 4.05Å; Y112-F126 HydrophobicContact CG-CE1 4.28Å; Y112-F126 HydrophobicContact CG-CG 4.28Å |
| 113 | S | 89.7 | Confident | 85.4 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -63.8 | -34 | -178.3 | 59 | 0 | 0 | 0 | 0 | 113.5 | H109 V110 | H109-S113 WeakPolarHBondContact O-CB 3.42Å; H109-S113 PolarHBondContact O-N 3.24Å; H109-S113 PolarHBondContact O-OG 2.99Å; H109-S113 VanDerWaalsContact O-OG 3.14Å; V110-S113 WeakPolarHBondContact CA-OG 3.37Å; V110-S113 PolarHBondContact O-N 3Å; V110-S113 PolarHBondContact O-OG 2.95Å |
| 114 | S | 91.9 | Very high | 86.6 | Confident | 47 Ų | 47 | 60.5 Ų | 60.5 | 33% | 0.329 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -88.2 | -42 | -175.2 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | V110 L111 Y112 F178 | V110-S114 WeakPolarHBondContact O-CB 3.49Å; V110-S114 PolarHBondContact O-N 3.16Å; V110-S114 PolarHBondContact O-OG 3.14Å; V110-S114 VanDerWaalsContact O-OG 3.13Å; L111-S114 PolarHBondContact O-N 3.04Å; Y112-S114 VanDerWaalsContact C-N 3.3Å; Y112-S114 PolarHBondContact O-N 3.05Å; S114-F178 VanDerWaalsContact OG-CZ 3.29Å; S114-F178 WeakPolarHBondContact OG-CZ 3.16Å |
| 115 | L | 91.6 | Very high | 88 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 18% | 0.183 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -104.3 | -44.8 | -174.3 | -70.3 | -177.9 | 0 | 0 | 0 | 113.8 | L111 L119 V157 F178 | L111-L115 HydrophobicContact CD1-CD1 3.62Å; L111-L115 HydrophobicContact CD1-CG 4.34Å; L111-L115 PolarHBondContact O-N 3.37Å; L115-L119 WeakPolarHBondContact O-CD1 3.36Å; L115-L119 WeakPolarHBondContact O-CG 3.36Å; L115-V157 HydrophobicContact CD1-CG1 3.98Å; L115-F178 HydrophobicContact CD1-CB 4.18Å; L115-F178 HydrophobicContact CD2-CB 3.89Å; L115-F178 HydrophobicContact CG-CB 3.97Å |
| 116 | F | 91.8 | Very high | 88.8 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 2% | 0.022 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -93 | -35 | -167.1 | -68.1 | -89.8 | 0 | 0 | 0 | 113.2 | L111 Y112 L119 G120 I121 F126 I129 L230 L234 | L111-F116 HydrophobicContact CD2-CE2 4.2Å; L111-F116 HydrophobicContact CG-CD2 4.35Å; L111-F116 HydrophobicContact CG-CE2 3.99Å; Y112-F116 HydrophobicContact CD2-CB 3.66Å; Y112-F116 HydrophobicContact CE2-CB 4.12Å; Y112-F116 PolarHBondContact O-N 3.09Å; Y112-F116 VanDerWaalsContact O-N 3.13Å; F116-L119 PolarHBondContact O-N 3.35Å; F116-G120 PolarHBondContact O-N 3.21Å; F116-I121 HydrophobicContact CB-CB 4.18Å; F116-I121 HydrophobicContact CB-CG1 4.39Å; F116-I121 HydrophobicContact CD1-CB 4.41Å; F116-I121 HydrophobicContact CD1-CG1 4.22Å; F116-I121 HydrophobicContact CD1-CG2 4.35Å; F116-I121 WeakPolarHBondContact O-CB 3.36Å; F116-I121 WeakPolarHBondContact O-CG1 3.46Å; F116-I121 PolarHBondContact O-N 3.11Å; F116-I121 VanDerWaalsContact O-N 3.1Å; F116-F126 HydrophobicContact CB-CD2 4.18Å; F116-F126 AromaticContact CD1-CD2 3.94Å; F116-F126 HydrophobicContact CD1-CD2 3.94Å; F116-F126 AromaticContact CD2-CD2 3.6Å; F116-F126 HydrophobicContact CD2-CD2 3.6Å; F116-F126 AromaticContact CD2-CE2 3.44Å; F116-F126 HydrophobicContact CD2-CE2 3.44Å; F116-F126 VanDerWaalsContact CD2-CE2 3.44Å; F116-F126 HydrophobicContact CE1-CD2 4.22Å; F116-F126 AromaticContact CE2-CD2 3.91Å; F116-F126 HydrophobicContact CE2-CD2 3.91Å; F116-F126 AromaticContact CE2-CE2 3.56Å; F116-F126 HydrophobicContact CE2-CE2 3.56Å; F116-F126 AromaticContact CG-CD2 3.62Å; F116-F126 HydrophobicContact CG-CD2 3.62Å; F116-F126 AromaticContact CG-CE2 3.99Å; F116-F126 HydrophobicContact CG-CE2 3.99Å; F116-F126 HydrophobicContact CZ-CD2 4.21Å; F116-F126 HydrophobicContact CZ-CE2 4.17Å; F116-I129 HydrophobicContact CE1-CD1 3.91Å; F116-L230 HydrophobicContact CD1-CD2 3.96Å; F116-L230 HydrophobicContact CE1-CD2 3.83Å; F116-L230 HydrophobicContact CE1-CG 4.48Å; F116-L234 HydrophobicContact CE1-CD1 3.94Å; F116-L234 HydrophobicContact CZ-CD1 4.09Å |
| 117 | K | 88.7 | Confident | 88.9 | Confident | 138 Ų | 138 | 45.3 Ų | 45.3 | 60% | 0.6 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -44.1 | 179 | -175.3 | -176.8 | 179.4 | -174.4 | 0 | 112.5 | Y112 L119 G120 | Y112-K117 HydrophobicContact CD1-CB 4.44Å; Y112-K117 HydrophobicContact CE1-CB 4.2Å; Y112-K117 WeakPolarHBondContact O-CB 3.27Å; Y112-K117 PolarHBondContact O-N 2.86Å; K117-L119 PolarHBondContact O-N 3.5Å; K117-G120 PolarHBondContact O-N 2.74Å |
| 118 | P | 90.5 | Very high | 89.1 | Confident | 98 Ų | 98 | 46.4 Ų | 46.4 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.9 | 176.3 | -23.4 | 36.2 | 0 | 0 | 0 | 113.4 | G120 | P118-G120 PolarHBondContact O-N 3.25Š|
| 119 | L | 91.3 | Very high | 89.3 | Confident | 86 Ų | 86 | 45.2 Ų | 45.2 | 45% | 0.45 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 0.7 | 174.8 | -65.2 | 177.8 | 0 | 0 | 0 | 113.5 | L115 F116 K117 I121 L230 L234 | L115-L119 WeakPolarHBondContact O-CD1 3.36Å; L115-L119 WeakPolarHBondContact O-CG 3.36Å; F116-L119 PolarHBondContact O-N 3.35Å; K117-L119 PolarHBondContact O-N 3.5Å; L119-I121 VanDerWaalsContact C-N 3.28Å; L119-I121 HydrophobicContact CB-CD1 4.17Å; L119-I121 HydrophobicContact CB-CG1 3.85Å; L119-I121 PolarHBondContact O-N 3.06Å; L119-L230 HydrophobicContact CD1-CD1 3.89Å; L119-L234 HydrophobicContact CD1-CD2 3.63Å; L119-L234 HydrophobicContact CD1-CG 4.28Å |
| 120 | G | 90.3 | Very high | 89.5 | Confident | 59 Ų | 59 | 40.9 Ų | 40.9 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70 | 21.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F116 K117 P118 P122 | F116-G120 PolarHBondContact O-N 3.21Å; K117-G120 PolarHBondContact O-N 2.74Å; P118-G120 PolarHBondContact O-N 3.25Å; G120-P122 WeakPolarHBondContact O-CD 3.45Å |
| 121 | I | 90.2 | Very high | 89.3 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | trans | -73.6 | 124.7 | -176 | -53.5 | -54.5 | 0 | 0 | 0 | 110.2 | Y112 F116 L119 V125 Y226 L230 | Y112-I121 WeakPolarHBondContact CE2-O 3.22Å; Y112-I121 PolarHBondContact OH-O 2.83Å; Y112-I121 VanDerWaalsContact OH-O 3.12Å; F116-I121 HydrophobicContact CB-CB 4.18Å; F116-I121 HydrophobicContact CB-CG1 4.39Å; F116-I121 HydrophobicContact CD1-CB 4.41Å; F116-I121 HydrophobicContact CD1-CG1 4.22Å; F116-I121 HydrophobicContact CD1-CG2 4.35Å; F116-I121 WeakPolarHBondContact O-CB 3.36Å; F116-I121 WeakPolarHBondContact O-CG1 3.46Å; F116-I121 PolarHBondContact O-N 3.11Å; F116-I121 VanDerWaalsContact O-N 3.1Å; L119-I121 VanDerWaalsContact C-N 3.28Å; L119-I121 HydrophobicContact CB-CD1 4.17Å; L119-I121 HydrophobicContact CB-CG1 3.85Å; L119-I121 PolarHBondContact O-N 3.06Å; I121-V125 HydrophobicContact CG2-CB 4.07Å; I121-V125 HydrophobicContact CG2-CG1 4.11Å; I121-Y226 HydrophobicContact CD1-CE1 4.19Å; I121-Y226 WeakPolarHBondContact CD1-OH 3.48Å; I121-L230 HydrophobicContact CD1-CD1 3.71Å; I121-L230 HydrophobicContact CD1-CD2 3.86Å; I121-L230 HydrophobicContact CD1-CG 4.37Å; I121-L230 HydrophobicContact CG1-CD1 4.01Å; I121-L230 HydrophobicContact CG1-CD2 3.9Å; I121-L230 HydrophobicContact CG2-CD2 4.1Å | ||
| 122 | P | 87.3 | Confident | 89.1 | Confident | 60 Ų | 60 | 44.7 Ų | 44.7 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | trans | -64.2 | 141.7 | 177.7 | -22.2 | 33.6 | 0 | 0 | 0 | 112.3 | G120 P124 V125 F126 | G120-P122 WeakPolarHBondContact O-CD 3.45Å; P122-P124 VanDerWaalsContact C-CD 3.42Å; P122-P124 VanDerWaalsContact C-N 3.35Å; P122-V125 HydrophobicContact CB-CG2 4.34Å; P122-V125 HydrophobicContact CG-CG2 4.46Å; P122-V125 WeakPolarHBondContact O-CB 3.46Å; P122-V125 PolarHBondContact O-N 3.38Å; P122-F126 PolarHBondContact O-N 2.89Å; P122-F126 VanDerWaalsContact O-N 3.11Å | ||
| 123 | L | 83 | Confident | 89.2 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.3 | -35.3 | 178.9 | -167.9 | 67.2 | 0 | 0 | 0 | 114.5 | F47 V99 I102 Y112 V125 F126 R127 | F47-L123 HydrophobicContact CD1-CB 4.41Å; F47-L123 HydrophobicContact CD1-CD2 4.04Å; F47-L123 HydrophobicContact CD2-CB 3.77Å; F47-L123 HydrophobicContact CD2-CD2 3.66Å; F47-L123 HydrophobicContact CD2-CG 4.34Å; F47-L123 HydrophobicContact CE1-CB 3.82Å; F47-L123 HydrophobicContact CE1-CD2 4.26Å; F47-L123 HydrophobicContact CE2-CB 3.11Å; F47-L123 HydrophobicContact CE2-CD2 3.94Å; F47-L123 HydrophobicContact CE2-CG 4.13Å; F47-L123 HydrophobicContact CG-CB 4.41Å; F47-L123 HydrophobicContact CG-CD2 3.77Å; F47-L123 HydrophobicContact CZ-CB 3.17Å; F47-L123 HydrophobicContact CZ-CD2 4.25Å; F47-L123 HydrophobicContact CZ-CG 4.31Å; V99-L123 HydrophobicContact CG2-CD2 4.19Å; I102-L123 HydrophobicContact CD1-CD1 3.44Å; I102-L123 VanDerWaalsContact CD1-CD1 3.44Å; I102-L123 HydrophobicContact CD1-CD2 3.8Å; I102-L123 HydrophobicContact CD1-CG 3.27Å; I102-L123 HydrophobicContact CG2-CD1 4.03Å; Y112-L123 HydrophobicContact CD1-CD1 4.17Å; Y112-L123 HydrophobicContact CD2-CD1 4.2Å; Y112-L123 HydrophobicContact CE1-CD1 3.97Å; Y112-L123 HydrophobicContact CE2-CD1 4Å; Y112-L123 HydrophobicContact CG-CD1 4.27Å; L123-V125 VanDerWaalsContact C-N 3.28Å; L123-V125 PolarHBondContact O-N 2.88Å; L123-F126 HydrophobicContact CD1-CD1 4.25Å; L123-F126 CarbonylContact O-C 3.57Å; L123-F126 PolarHBondContact O-N 2.85Å; L123-R127 WeakPolarHBondContact O-CB 3.25Å; L123-R127 PolarHBondContact O-N 3.22Å |
| 124 | P | 83.4 | Confident | 89.3 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.9 | -35.6 | 173.5 | -24.4 | 33.3 | 0 | 0 | 0 | 113.4 | F47 P122 R127 T128 | F47-P124 HydrophobicContact CE1-CG 4.49Å; P122-P124 VanDerWaalsContact C-CD 3.42Å; P122-P124 VanDerWaalsContact C-N 3.35Å; P124-R127 WeakPolarHBondContact O-CB 3.34Å; P124-R127 PolarHBondContact O-N 3.24Å; P124-T128 PolarHBondContact O-N 3.44Å; P124-T128 PolarHBondContact O-OG1 3.1Å |
| 125 | V | 89 | Confident | 89.4 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.1 | -48 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | I121 P122 L123 R127 T128 I129 Y226 I227 | I121-V125 HydrophobicContact CG2-CB 4.07Å; I121-V125 HydrophobicContact CG2-CG1 4.11Å; P122-V125 HydrophobicContact CB-CG2 4.34Å; P122-V125 HydrophobicContact CG-CG2 4.46Å; P122-V125 WeakPolarHBondContact O-CB 3.46Å; P122-V125 PolarHBondContact O-N 3.38Å; L123-V125 VanDerWaalsContact C-N 3.28Å; L123-V125 PolarHBondContact O-N 2.88Å; V125-R127 VanDerWaalsContact C-N 3.27Å; V125-R127 PolarHBondContact O-N 3.31Å; V125-T128 WeakPolarHBondContact O-CB 3.4Å; V125-T128 PolarHBondContact O-N 3.06Å; V125-T128 VanDerWaalsContact O-N 3.09Å; V125-I129 HydrophobicContact CG1-CD1 4.36Å; V125-I129 WeakPolarHBondContact O-CG1 3.5Å; V125-I129 PolarHBondContact O-N 3.33Å; V125-I129 VanDerWaalsContact O-N 3.14Å; V125-Y226 HydrophobicContact CG1-CD1 3.92Å; V125-Y226 HydrophobicContact CG1-CE1 3.96Å; V125-Y226 HydrophobicContact CG2-CD1 4.44Å; V125-Y226 HydrophobicContact CG2-CE1 4.33Å; V125-I227 HydrophobicContact CG1-CD1 4.08Å; V125-I227 HydrophobicContact CG1-CG1 3.68Å |
| 126 | F | 90.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 175.7 | 180 | -103 | 0 | 0 | 0 | 112.4 | I102 F108 L111 Y112 F116 P122 L123 T128 I129 A130 | I102-F126 HydrophobicContact CG2-CD1 4.09Å; I102-F126 HydrophobicContact CG2-CE1 3.94Å; F108-F126 HydrophobicContact CB-CE1 4.04Å; F108-F126 HydrophobicContact CB-CZ 4.19Å; F108-F126 HydrophobicContact CD1-CZ 4.24Å; F108-F126 WeakPolarHBondContact O-CE1 3.11Å; F108-F126 WeakPolarHBondContact O-CZ 3.4Å; L111-F126 HydrophobicContact CD2-CE2 4.21Å; L111-F126 HydrophobicContact CD2-CZ 4.28Å; L111-F126 HydrophobicContact CG-CE2 4.43Å; Y112-F126 HydrophobicContact CD2-CB 3.7Å; Y112-F126 AromaticContact CD2-CD1 3.65Å; Y112-F126 HydrophobicContact CD2-CD1 3.65Å; Y112-F126 AromaticContact CD2-CD2 3.95Å; Y112-F126 HydrophobicContact CD2-CD2 3.95Å; Y112-F126 HydrophobicContact CD2-CE1 4.26Å; Y112-F126 AromaticContact CD2-CG 3.46Å; Y112-F126 HydrophobicContact CD2-CG 3.46Å; Y112-F126 VanDerWaalsContact CD2-CG 3.46Å; Y112-F126 HydrophobicContact CE2-CB 3.9Å; Y112-F126 HydrophobicContact CE2-CG 4.19Å; Y112-F126 HydrophobicContact CG-CD1 4.05Å; Y112-F126 HydrophobicContact CG-CE1 4.28Å; Y112-F126 HydrophobicContact CG-CG 4.28Å; F116-F126 HydrophobicContact CB-CD2 4.18Å; F116-F126 AromaticContact CD1-CD2 3.94Å; F116-F126 HydrophobicContact CD1-CD2 3.94Å; F116-F126 AromaticContact CD2-CD2 3.6Å; F116-F126 HydrophobicContact CD2-CD2 3.6Å; F116-F126 AromaticContact CD2-CE2 3.44Å; F116-F126 HydrophobicContact CD2-CE2 3.44Å; F116-F126 VanDerWaalsContact CD2-CE2 3.44Å; F116-F126 HydrophobicContact CE1-CD2 4.22Å; F116-F126 AromaticContact CE2-CD2 3.91Å; F116-F126 HydrophobicContact CE2-CD2 3.91Å; F116-F126 AromaticContact CE2-CE2 3.56Å; F116-F126 HydrophobicContact CE2-CE2 3.56Å; F116-F126 AromaticContact CG-CD2 3.62Å; F116-F126 HydrophobicContact CG-CD2 3.62Å; F116-F126 AromaticContact CG-CE2 3.99Å; F116-F126 HydrophobicContact CG-CE2 3.99Å; F116-F126 HydrophobicContact CZ-CD2 4.21Å; F116-F126 HydrophobicContact CZ-CE2 4.17Å; P122-F126 PolarHBondContact O-N 2.89Å; P122-F126 VanDerWaalsContact O-N 3.11Å; L123-F126 HydrophobicContact CD1-CD1 4.25Å; L123-F126 CarbonylContact O-C 3.57Å; L123-F126 PolarHBondContact O-N 2.85Å; F126-T128 VanDerWaalsContact C-N 3.28Å; F126-T128 PolarHBondContact O-N 3.38Å; F126-I129 CarbonylContact O-C 3.58Å; F126-I129 WeakPolarHBondContact O-CA 3.38Å; F126-I129 WeakPolarHBondContact O-CB 3.36Å; F126-I129 PolarHBondContact O-N 3.31Å; F126-I129 VanDerWaalsContact O-N 3.11Å; F126-A130 HydrophobicContact CD1-CB 4.49Å; F126-A130 HydrophobicContact CE1-CB 4.14Å; F126-A130 HydrophobicContact CZ-CB 4.39Å; F126-A130 WeakPolarHBondContact O-CB 3.33Å; F126-A130 PolarHBondContact O-N 2.99Å |
| 127 | R | 86.5 | Confident | 89.7 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 173.5 | -166.7 | -176.7 | -177.8 | -176.6 | 5.1 | 111 | S101 I102 L123 P124 V125 I129 A130 L131 | S101-R127 VanDerWaalsContact CB-NH2 3.35Å; S101-R127 PolarHBondContact OG-NE 3.06Å; S101-R127 PolarHBondContact OG-NH2 3.2Å; I102-R127 HydrophobicContact CD1-CB 3.66Å; I102-R127 HydrophobicContact CD1-CG 3.87Å; I102-R127 HydrophobicContact CG1-CB 4.12Å; I102-R127 HydrophobicContact CG1-CG 3.89Å; L123-R127 WeakPolarHBondContact O-CB 3.25Å; L123-R127 PolarHBondContact O-N 3.22Å; P124-R127 WeakPolarHBondContact O-CB 3.34Å; P124-R127 PolarHBondContact O-N 3.24Å; V125-R127 VanDerWaalsContact C-N 3.27Å; V125-R127 PolarHBondContact O-N 3.31Å; R127-I129 VanDerWaalsContact C-N 3.28Å; R127-I129 PolarHBondContact O-N 3.42Å; R127-A130 PolarHBondContact O-N 3.12Å; R127-L131 HydrophobicContact CG-CD1 3.98Å; R127-L131 HydrophobicContact CG-CG 4.28Å; R127-L131 WeakPolarHBondContact O-CB 3.36Å; R127-L131 WeakPolarHBondContact O-CG 3.45Å; R127-L131 PolarHBondContact O-N 2.97Å |
| 128 | T | 89.1 | Confident | 90 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 31% | 0.307 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 178.9 | -50.1 | 0 | 0 | 0 | 0 | 110.7 | P124 V125 F126 S132 L220 I227 | P124-T128 PolarHBondContact O-N 3.44Å; P124-T128 PolarHBondContact O-OG1 3.1Å; V125-T128 WeakPolarHBondContact O-CB 3.4Å; V125-T128 PolarHBondContact O-N 3.06Å; V125-T128 VanDerWaalsContact O-N 3.09Å; F126-T128 VanDerWaalsContact C-N 3.28Å; F126-T128 PolarHBondContact O-N 3.38Å; T128-S132 PolarHBondContact O-N 3.39Å; T128-L220 HydrophobicContact CG2-CD1 3.65Å; T128-I227 HydrophobicContact CG2-CD1 4.24Å |
| 129 | I | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.4 | -48.3 | 174.8 | -61 | 167.4 | 0 | 0 | 0 | 110.8 | F116 V125 F126 R127 S132 S133 W212 L220 I227 L230 F231 | F116-I129 HydrophobicContact CE1-CD1 3.91Å; V125-I129 HydrophobicContact CG1-CD1 4.36Å; V125-I129 WeakPolarHBondContact O-CG1 3.5Å; V125-I129 PolarHBondContact O-N 3.33Å; V125-I129 VanDerWaalsContact O-N 3.14Å; F126-I129 CarbonylContact O-C 3.58Å; F126-I129 WeakPolarHBondContact O-CA 3.38Å; F126-I129 WeakPolarHBondContact O-CB 3.36Å; F126-I129 PolarHBondContact O-N 3.31Å; F126-I129 VanDerWaalsContact O-N 3.11Å; R127-I129 VanDerWaalsContact C-N 3.28Å; R127-I129 PolarHBondContact O-N 3.42Å; I129-S132 PolarHBondContact O-N 2.99Å; I129-S132 VanDerWaalsContact O-N 3.1Å; I129-S132 PolarHBondContact O-OG 3.37Å; I129-S133 PolarHBondContact O-N 2.93Å; I129-S133 PolarHBondContact O-OG 3.37Å; I129-W212 HydrophobicContact CG2-CZ2 3.7Å; I129-W212 PolarHBondContact O-NE1 2.95Å; I129-L220 HydrophobicContact CG1-CD2 4.45Å; I129-I227 HydrophobicContact CD1-CG1 4.44Å; I129-I227 HydrophobicContact CD1-CG2 4.07Å; I129-I227 HydrophobicContact CG1-CD1 4.04Å; I129-I227 HydrophobicContact CG1-CG1 4.36Å; I129-I227 HydrophobicContact CG1-CG2 3.88Å; I129-L230 HydrophobicContact CD1-CD2 4.04Å; I129-F231 HydrophobicContact CD1-CE2 3.94Å; I129-F231 HydrophobicContact CG1-CE2 4.1Å; I129-F231 HydrophobicContact CG2-CE2 3.83Å; I129-F231 HydrophobicContact CG2-CZ 3.72Å |
| 130 | A | 89.9 | Confident | 90.7 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F108 F126 R127 S132 S133 | F108-A130 HydrophobicContact CD1-CB 3.84Å; F108-A130 HydrophobicContact CD2-CB 4.37Å; F108-A130 HydrophobicContact CE1-CB 3.91Å; F108-A130 HydrophobicContact CE2-CB 4.46Å; F108-A130 HydrophobicContact CG-CB 4.11Å; F108-A130 HydrophobicContact CZ-CB 4.25Å; F126-A130 HydrophobicContact CD1-CB 4.49Å; F126-A130 HydrophobicContact CE1-CB 4.14Å; F126-A130 HydrophobicContact CZ-CB 4.39Å; F126-A130 WeakPolarHBondContact O-CB 3.33Å; F126-A130 PolarHBondContact O-N 2.99Å; R127-A130 PolarHBondContact O-N 3.12Å; A130-S132 PolarHBondContact O-N 3.13Å; A130-S133 WeakPolarHBondContact CA-OG 3.34Å; A130-S133 PolarHBondContact O-N 2.86Å; A130-S133 VanDerWaalsContact O-N 3.11Å; A130-S133 PolarHBondContact O-OG 2.79Å |
| 131 | L | 87 | Confident | 90.9 | Very high | 116 Ų | 116 | 49.2 Ų | 49.2 | 61% | 0.607 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.4 | -21.3 | 174.6 | -72.2 | 173.6 | 0 | 0 | 0 | 112.7 | R127 K216 | R127-L131 HydrophobicContact CG-CD1 3.98Å; R127-L131 HydrophobicContact CG-CG 4.28Å; R127-L131 WeakPolarHBondContact O-CB 3.36Å; R127-L131 WeakPolarHBondContact O-CG 3.45Å; R127-L131 PolarHBondContact O-N 2.97Å; L131-K216 PolarHBondContact O-NZ 3.1Å |
| 132 | S | 88 | Confident | 91.3 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -86.1 | -12.9 | 176.9 | 77.4 | 0 | 0 | 0 | 0 | 113.8 | T128 I129 A130 W212 K216 | T128-S132 PolarHBondContact O-N 3.39Å; I129-S132 PolarHBondContact O-N 2.99Å; I129-S132 VanDerWaalsContact O-N 3.1Å; I129-S132 PolarHBondContact O-OG 3.37Å; A130-S132 PolarHBondContact O-N 3.13Å; S132-W212 PolarHBondContact OG-NE1 2.99Å; S132-K216 WeakPolarHBondContact O-CD 3.39Å; S132-K216 WeakPolarHBondContact O-CE 3.5Å; S132-K216 PolarHBondContact O-NZ 3.42Å; S132-K216 VanDerWaalsContact O-NZ 3.12Å |
| 133 | S | 92.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | trans | -103.5 | 167.5 | -179.5 | 40.9 | 0 | 0 | 0 | 0 | 114.8 | F108 I129 A130 V210 S211 W212 | F108-S133 WeakPolarHBondContact CE1-OG 3.2Å; I129-S133 PolarHBondContact O-N 2.93Å; I129-S133 PolarHBondContact O-OG 3.37Å; A130-S133 WeakPolarHBondContact CA-OG 3.34Å; A130-S133 PolarHBondContact O-N 2.86Å; A130-S133 VanDerWaalsContact O-N 3.11Å; A130-S133 PolarHBondContact O-OG 2.79Å; S133-V210 VanDerWaalsContact CB-CG1 3.44Å; S133-S211 CarbonylContact C-O 3.6Å; S133-S211 WeakPolarHBondContact CA-O 3.3Å; S133-S211 WeakPolarHBondContact CB-O 3.16Å; S133-W212 VanDerWaalsContact CB-NE1 3.29Å | ||
| 134 | E | 91.6 | Very high | 92.4 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 36% | 0.36 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 149 | 165.9 | 61.3 | -165.3 | 152.9 | 0 | 0 | 110.8 | V136 V210 S211 | E134-V136 HydrophobicContact CG-CG2 3.96Å; E134-V210 WeakPolarHBondContact O-CA 3.41Å; E134-S211 PolarHBondContact N-O 3.43Å; E134-S211 PolarHBondContact O-N 3.41Å |
| 135 | V | 92.8 | Very high | 93 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 32% | 0.321 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.7 | 172.2 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | E107 F108 V210 | E107-V135 HydrophobicContact CB-CG1 4.18Å; E107-V135 HydrophobicContact CB-CG2 4.18Å; E107-V135 HydrophobicContact CG-CG1 3.74Å; F108-V135 HydrophobicContact CE1-CG2 4.19Å; F108-V135 HydrophobicContact CE2-CG2 3.94Å; F108-V135 HydrophobicContact CZ-CG2 3.71Å; V135-V210 HydrophobicContact CG2-CG2 4.17Å |
| 136 | V | 94.4 | Very high | 93.3 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137.5 | -177.6 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | E134 R208 Y209 | E134-V136 HydrophobicContact CG-CG2 3.96Å; V136-R208 WeakPolarHBondContact O-CA 3.37Å; V136-Y209 HydrophobicContact CB-CD1 4.35Å; V136-Y209 HydrophobicContact CB-CD2 4.24Å; V136-Y209 HydrophobicContact CB-CE1 3.81Å; V136-Y209 HydrophobicContact CB-CE2 3.7Å; V136-Y209 VanDerWaalsContact CB-CZ 3.47Å; V136-Y209 HydrophobicContact CG1-CE1 3.85Å; V136-Y209 HydrophobicContact CG1-CE2 4.29Å; V136-Y209 VanDerWaalsContact CG1-OH 3.32Å; V136-Y209 WeakPolarHBondContact CG1-OH 3.36Å; V136-Y209 HydrophobicContact CG2-CE2 3.98Å; V136-Y209 PolarHBondContact N-O 2.86Å; V136-Y209 PolarHBondContact O-N 3.15Å |
| 137 | T | 95.6 | Very high | 93.6 | Very high | 95 Ų | 95 | 56.5 Ų | 56.5 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 135.6 | 172.7 | 51 | 0 | 0 | 0 | 0 | 110 | R208 | T137-R208 HydrophobicContact CG2-CG 4.12Å |
| 138 | L | 96.7 | Very high | 93.9 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 115.1 | 175.1 | -176.1 | 68.3 | 0 | 0 | 0 | 108.3 | H142 I163 A203 C207 Y209 | L138-H142 HydrophobicContact CD1-CB 3.57Å; L138-H142 HydrophobicContact CG-CB 4.22Å; L138-I163 HydrophobicContact CD2-CD1 4.24Å; L138-A203 HydrophobicContact CD2-CB 3.76Å; L138-A203 HydrophobicContact CG-CB 3.84Å; L138-C207 HydrophobicContact CB-CB 4.17Å; L138-C207 PolarHBondContact N-O 2.96Å; L138-C207 PolarHBondContact O-N 3.24Å; L138-Y209 HydrophobicContact CB-CD1 4.42Å; L138-Y209 HydrophobicContact CB-CE1 4.04Å |
| 139 | E | 97.3 | Very high | 94.2 | Very high | 125 Ų | 125 | 62.1 Ų | 62.1 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | trans | -69.4 | 155.2 | 179.6 | -66.6 | 177 | -170.1 | 0 | 0 | 111 | H142 A203 | E139-H142 WeakPolarHBondContact CB-ND1 3.49Å; E139-H142 WeakPolarHBondContact O-CB 3.39Å; E139-H142 PolarHBondContact O-N 3.3Å; E139-H142 VanDerWaalsContact O-N 3.12Å; E139-H142 IonicContact OE2-CE1 3.05Å; E139-H142 PolarHBondContact OE2-CE1 3.01Å; E139-A203 VanDerWaalsContact O-CB 3.31Å; E139-A203 WeakPolarHBondContact O-CB 3.45Å | ||
| 140 | K | 97.2 | Very high | 94.4 | Very high | 115 Ų | 115 | 63.9 Ų | 63.9 | 50% | 0.5 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 143.7 | 174.1 | -169.9 | -178.5 | 172.9 | -179.1 | 0 | 112.1 | H142 D204 D206 | K140-H142 PolarHBondContact O-N 2.92Å; K140-H142 VanDerWaalsContact O-N 3.1Å; K140-H142 PolarHBondContact O-ND1 3.44Å; K140-H142 VanDerWaalsContact O-ND1 3.17Å; K140-D204 VanDerWaalsContact CE-O 3.28Å; K140-D204 WeakPolarHBondContact CE-O 3.22Å; K140-D204 WeakPolarHBondContact CG-O 3.25Å; K140-D206 PolarHBondContact N-OD1 2.86Å |
| 141 | E | 96.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 66.6 Ų | 66.6 | 48% | 0.477 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 0.3 | -175.4 | -54.7 | -52.6 | 144.8 | 0 | 0 | 116 | R164 A203 | E141-R164 IonicContact OE2-NH2 2.89Å; E141-R164 PolarHBondContact OE2-NH2 3.39Å; E141-R164 VanDerWaalsContact OE2-NH2 3.16Å; E141-A203 WeakPolarHBondContact CA-O 3.49Å; E141-A203 PolarHBondContact N-O 3.14Å |
| 142 | H | 96.9 | Very high | 95 | Very high | 96 Ų | 96 | 61.7 Ų | 61.7 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | trans | -80.9 | 147 | 173.2 | -71 | 70 | 0 | 0 | 0 | 111.6 | L138 E139 K140 A203 | L138-H142 HydrophobicContact CD1-CB 3.57Å; L138-H142 HydrophobicContact CG-CB 4.22Å; E139-H142 WeakPolarHBondContact CB-ND1 3.49Å; E139-H142 WeakPolarHBondContact O-CB 3.39Å; E139-H142 PolarHBondContact O-N 3.3Å; E139-H142 VanDerWaalsContact O-N 3.12Å; E139-H142 IonicContact OE2-CE1 3.05Å; E139-H142 PolarHBondContact OE2-CE1 3.01Å; K140-H142 PolarHBondContact O-N 2.92Å; K140-H142 VanDerWaalsContact O-N 3.1Å; K140-H142 PolarHBondContact O-ND1 3.44Å; K140-H142 VanDerWaalsContact O-ND1 3.17Å; H142-A203 PolarHBondContact O-N 3.34Å | ||
| 143 | C | 96.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 38% | 0.378 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.6 | 179.8 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | M146 L201 T202 | C143-M146 HydrophobicContact CB-CG 4Å; C143-L201 CarbonylContact C-O 3.54Å; C143-L201 VanDerWaalsContact CA-O 3.29Å; C143-L201 WeakPolarHBondContact CA-O 3.38Å; C143-T202 PolarHBondContact SG-OG1 3.38Å |
| 144 | Y | 97.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 67 Ų | 67 | 9% | 0.09 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -44.8 | 164.6 | 171.2 | -95.9 | 0 | 0 | 0 | 110.5 | R154 S156 L181 D182 F197 L201 Y209 | Y144-R154 WeakPolarHBondContact OH-CD 3.41Å; Y144-R154 VanDerWaalsContact OH-CG 3.26Å; Y144-R154 WeakPolarHBondContact OH-CG 3.4Å; Y144-S156 WeakPolarHBondContact OH-CB 3.23Å; Y144-S156 PolarHBondContact OH-OG 3.46Å; Y144-L181 HydrophobicContact CD1-CD1 4.38Å; Y144-L181 HydrophobicContact CD2-CD1 3.84Å; Y144-L181 HydrophobicContact CE1-CB 4.11Å; Y144-L181 HydrophobicContact CE1-CD1 4.36Å; Y144-L181 HydrophobicContact CE2-CD1 3.85Å; Y144-L181 HydrophobicContact CG-CD1 4.11Å; Y144-D182 PolarHBondContact OH-OD2 2.94Å; Y144-F197 HydrophobicContact CE1-CE1 4.2Å; Y144-F197 AromaticContact CE1-CZ 3.79Å; Y144-F197 HydrophobicContact CE1-CZ 3.79Å; Y144-L201 HydrophobicContact CD1-CB 4.15Å; Y144-L201 HydrophobicContact CD1-CD1 3.58Å; Y144-L201 HydrophobicContact CD1-CG 4.45Å; Y144-L201 HydrophobicContact CE1-CD1 4.01Å; Y144-L201 PolarHBondContact N-O 3.37Å; Y144-Y209 HydrophobicContact CD2-CE1 4.04Å; Y144-Y209 HydrophobicContact CD2-CE2 4.06Å; Y144-Y209 AromaticContact CD2-CZ 3.67Å; Y144-Y209 HydrophobicContact CE2-CD2 4.32Å; Y144-Y209 HydrophobicContact CE2-CE1 4.47Å; Y144-Y209 AromaticContact CE2-CE2 3.68Å; Y144-Y209 HydrophobicContact CE2-CE2 3.68Å; Y144-Y209 AromaticContact CE2-CZ 3.76Å |
| 145 | A | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T150 F197 T200 L201 | A145-T150 WeakPolarHBondContact CA-OG1 3.12Å; A145-T150 HydrophobicContact CB-CG2 3.91Å; A145-F197 HydrophobicContact CB-CB 4.07Å; A145-F197 HydrophobicContact CB-CD1 3.59Å; A145-F197 HydrophobicContact CB-CD2 3.71Å; A145-F197 HydrophobicContact CB-CE1 3.89Å; A145-F197 HydrophobicContact CB-CE2 3.99Å; A145-F197 HydrophobicContact CB-CG 3.49Å; A145-F197 VanDerWaalsContact CB-CG 3.49Å; A145-F197 HydrophobicContact CB-CZ 4.08Å; A145-T200 CarbonylContact O-C 3.47Å; A145-T200 WeakPolarHBondContact O-CA 3.23Å; A145-T200 WeakPolarHBondContact O-CG2 3.29Å; A145-L201 HydrophobicContact CB-CB 4.36Å; A145-L201 HydrophobicContact CB-CD1 4.4Å; A145-L201 HydrophobicContact CB-CG 4.42Å; A145-L201 PolarHBondContact N-O 3.13Å; A145-L201 PolarHBondContact O-N 3.03Å |
| 146 | M | 96.4 | Very high | 95.8 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 41% | 0.414 | 32% | 0.317 | S | S | . | . | trans | -112.8 | 131.9 | 173.4 | -74.5 | -179.4 | -85 | 0 | 0 | 109.5 | C143 G148 K149 T150 | C143-M146 HydrophobicContact CB-CG 4Å; M146-G148 PolarHBondContact O-N 2.86Å; M146-K149 HydrophobicContact CB-CB 4.06Å; M146-K149 HydrophobicContact CB-CD 4.33Å; M146-K149 PolarHBondContact O-N 2.96Å; M146-K149 VanDerWaalsContact O-N 3.07Å; M146-K149 HydrophobicContact SD-CD 4.33Å; M146-T150 PolarHBondContact N-OG1 3Å; M146-T150 PolarHBondContact O-N 2.9Å | ||
| 147 | Q | 95 | Very high | 96 | Very high | 57 Ų | 57 | 59 Ų | 59 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 130 | 176.8 | 178.1 | 178.6 | -1.4 | 0 | 0 | 111.1 | K149 D168 F197 Q198 V199 T200 | Q147-K149 PolarHBondContact O-N 3.37Å; Q147-K149 VanDerWaalsContact O-N 3.12Å; Q147-D168 PolarHBondContact NE2-OD1 3.25Å; Q147-D168 PolarHBondContact OE1-OD1 2.8Å; Q147-F197 WeakPolarHBondContact CA-O 3.42Å; Q147-Q198 VanDerWaalsContact CG-O 3.31Å; Q147-Q198 WeakPolarHBondContact CG-O 3.48Å; Q147-V199 PolarHBondContact N-O 2.89Å; Q147-T200 WeakPolarHBondContact CB-OG1 3.36Å; Q147-T200 PolarHBondContact N-OG1 3.16Å |
| 148 | G | 94.2 | Very high | 96 | Very high | 48 Ų | 48 | 54.5 Ų | 54.5 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 0.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | M146 F197 | M146-G148 PolarHBondContact O-N 2.86Å; G148-F197 PolarHBondContact N-O 3.3Å |
| 149 | K | 94.9 | Very high | 96 | Very high | 162 Ų | 162 | 54.1 Ų | 54.1 | 70% | 0.704 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | -45.3 | -175.5 | -66.2 | -176.7 | -179 | 177.6 | 0 | 113.1 | M146 Q147 | M146-K149 HydrophobicContact CB-CB 4.06Å; M146-K149 HydrophobicContact CB-CD 4.33Å; M146-K149 PolarHBondContact O-N 2.96Å; M146-K149 VanDerWaalsContact O-N 3.07Å; M146-K149 HydrophobicContact SD-CD 4.33Å; Q147-K149 PolarHBondContact O-N 3.37Å; Q147-K149 VanDerWaalsContact O-N 3.12Å |
| 150 | T | 95.5 | Very high | 95.9 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 22% | 0.221 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -81.3 | 129.5 | -176.3 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | A145 M146 I196 F197 | A145-T150 WeakPolarHBondContact CA-OG1 3.12Å; A145-T150 HydrophobicContact CB-CG2 3.91Å; M146-T150 PolarHBondContact N-OG1 3Å; M146-T150 PolarHBondContact O-N 2.9Å; T150-I196 CarbonylContact O-C 3.6Å; T150-I196 WeakPolarHBondContact O-CA 3.45Å; T150-F197 HydrophobicContact CG2-CD2 3.85Å; T150-F197 HydrophobicContact CG2-CE2 4.12Å; T150-F197 WeakPolarHBondContact O-CD2 3.31Å; T150-F197 PolarHBondContact O-N 3.18Å |
| 151 | S | 94.9 | Very high | 95.9 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 147.2 | 173.7 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | D153 G195 | S151-D153 PolarHBondContact O-N 3.4Å; S151-D153 VanDerWaalsContact O-N 3.16Å; S151-G195 WeakPolarHBondContact CA-O 3.49Å |
| 152 | I | 94.3 | Very high | 95.9 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | trans | -85.2 | 86.4 | 176.7 | -57.4 | 160.8 | 0 | 0 | 0 | 109 | E185 L189 G195 I196 F197 | I152-E185 HydrophobicContact CD1-CB 3.65Å; I152-E185 HydrophobicContact CD1-CG 3.94Å; I152-E185 HydrophobicContact CG1-CB 3.99Å; I152-E185 HydrophobicContact CG1-CG 4.34Å; I152-E185 HydrophobicContact CG2-CB 4.06Å; I152-L189 HydrophobicContact CB-CD1 3.7Å; I152-L189 HydrophobicContact CD1-CD1 3.69Å; I152-L189 HydrophobicContact CD1-CG 4.46Å; I152-L189 HydrophobicContact CG1-CD1 4.3Å; I152-L189 HydrophobicContact CG2-CD1 3.77Å; I152-G195 PolarHBondContact N-O 2.97Å; I152-I196 WeakPolarHBondContact CD1-O 3.38Å; I152-F197 HydrophobicContact CB-CE2 4.4Å; I152-F197 HydrophobicContact CG1-CD2 3.73Å; I152-F197 HydrophobicContact CG1-CE2 3.82Å; I152-F197 HydrophobicContact CG1-CG 4.32Å; I152-F197 HydrophobicContact CG1-CZ 4.45Å | ||
| 153 | D | 93.6 | Very high | 96 | Very high | 66 Ų | 66 | 42 Ų | 42 | 35% | 0.353 | 23% | 0.229 | S | C | . | . | trans | -117.2 | -0.7 | -173.4 | 73.4 | -20.1 | 0 | 0 | 0 | 114.4 | S151 R214 | S151-D153 PolarHBondContact O-N 3.4Å; S151-D153 VanDerWaalsContact O-N 3.16Å; D153-R214 WeakPolarHBondContact O-CB 3.41Å; D153-R214 PolarHBondContact O-N 3.43Å | ||
| 154 | R | 94.8 | Very high | 96 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 28% | 0.283 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 167.4 | -174.8 | 67.1 | -165.9 | 68.7 | -163.2 | -3 | 111.3 | Y144 W212 | Y144-R154 WeakPolarHBondContact OH-CD 3.41Å; Y144-R154 VanDerWaalsContact OH-CG 3.26Å; Y144-R154 WeakPolarHBondContact OH-CG 3.4Å; R154-W212 CarbonylContact C-O 3.59Å; R154-W212 VanDerWaalsContact CA-O 3.22Å; R154-W212 WeakPolarHBondContact CA-O 3.47Å; R154-W212 WeakPolarHBondContact CB-O 3.49Å |
| 155 | L | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.2 | 166.9 | -176.9 | 71.6 | 0 | 0 | 0 | 106.7 | F180 D182 W186 S211 W212 L217 F231 I235 | L155-F180 HydrophobicContact CD1-CD1 3.65Å; L155-F180 HydrophobicContact CD1-CE1 4.03Å; L155-F180 HydrophobicContact CD2-CD1 4.14Å; L155-F180 HydrophobicContact CD2-CE1 3.64Å; L155-F180 HydrophobicContact CG-CD1 3.77Å; L155-F180 HydrophobicContact CG-CE1 3.76Å; L155-D182 WeakPolarHBondContact CA-OD1 3.43Å; L155-D182 VanDerWaalsContact CA-OD2 3.28Å; L155-D182 WeakPolarHBondContact CA-OD2 3.48Å; L155-D182 WeakPolarHBondContact CD1-OD1 3.42Å; L155-W186 HydrophobicContact CB-CD2 4.08Å; L155-W186 HydrophobicContact CB-CE3 3.67Å; L155-W186 HydrophobicContact CB-CH2 4.49Å; L155-W186 HydrophobicContact CB-CZ3 3.87Å; L155-W186 HydrophobicContact CD1-CB 3.77Å; L155-W186 HydrophobicContact CD1-CD2 3.99Å; L155-W186 HydrophobicContact CD1-CE3 4.3Å; L155-W186 HydrophobicContact CD1-CG 3.73Å; L155-W186 HydrophobicContact CD2-CD2 4.48Å; L155-W186 HydrophobicContact CG-CD2 4.42Å; L155-W186 HydrophobicContact CG-CE3 4.47Å; L155-S211 CarbonylContact O-C 3.57Å; L155-S211 WeakPolarHBondContact O-CA 3.41Å; L155-W212 PolarHBondContact N-O 3.03Å; L155-W212 PolarHBondContact O-N 2.92Å; L155-L217 HydrophobicContact CB-CD2 3.99Å; L155-L217 HydrophobicContact CD2-CD2 3.55Å; L155-L217 HydrophobicContact CG-CD2 4.43Å; L155-F231 HydrophobicContact CD2-CD1 3.81Å; L155-F231 HydrophobicContact CD2-CE1 3.86Å; L155-I235 HydrophobicContact CD1-CD1 4.5Å; L155-I235 HydrophobicContact CD2-CD1 3.94Å; L155-I235 HydrophobicContact CD2-CG1 4.45Å |
| 156 | S | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 143.5 | -175.6 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | Y144 F180 L181 D182 V210 S211 | Y144-S156 WeakPolarHBondContact OH-CB 3.23Å; Y144-S156 PolarHBondContact OH-OG 3.46Å; S156-F180 CarbonylContact O-C 3.24Å; S156-F180 VanDerWaalsContact O-CA 3.31Å; S156-F180 WeakPolarHBondContact O-CA 3.34Å; S156-L181 PolarHBondContact O-N 3.36Å; S156-D182 PolarHBondContact N-OD1 3.01Å; S156-D182 PolarHBondContact N-OD2 3.45Å; S156-V210 CarbonylContact C-O 3.45Å; S156-V210 WeakPolarHBondContact CA-O 3.44Å; S156-S211 WeakPolarHBondContact OG-CB 3.26Å; S156-S211 PolarHBondContact OG-OG 3.22Å |
| 157 | V | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.6 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | L111 L115 V159 F180 Y209 V210 W212 | L111-V157 HydrophobicContact CD1-CB 4.43Å; L111-V157 HydrophobicContact CD1-CG1 3.71Å; L115-V157 HydrophobicContact CD1-CG1 3.98Å; V157-V159 PolarHBondContact O-N 2.92Å; V157-F180 HydrophobicContact CG2-CD1 3.34Å; V157-F180 HydrophobicContact CG2-CD2 4.12Å; V157-F180 HydrophobicContact CG2-CE1 3.18Å; V157-F180 HydrophobicContact CG2-CE2 3.98Å; V157-F180 HydrophobicContact CG2-CG 3.83Å; V157-F180 HydrophobicContact CG2-CZ 3.53Å; V157-Y209 CarbonylContact O-C 3.5Å; V157-Y209 VanDerWaalsContact O-CA 3.22Å; V157-Y209 WeakPolarHBondContact O-CA 3.36Å; V157-Y209 VanDerWaalsContact O-CB 3.27Å; V157-Y209 WeakPolarHBondContact O-CB 3.26Å; V157-V210 PolarHBondContact N-O 2.83Å; V157-V210 PolarHBondContact O-N 3.3Å; V157-W212 HydrophobicContact CB-CZ3 4.22Å; V157-W212 HydrophobicContact CG2-CH2 4.22Å; V157-W212 HydrophobicContact CG2-CZ3 3.81Å |
| 158 | L | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 128 | 175.9 | -168 | 60.7 | 0 | 0 | 0 | 110 | S160 I163 I175 F178 Q179 L181 C207 | L158-S160 WeakPolarHBondContact CD1-O 3.44Å; L158-I163 HydrophobicContact CD1-CD1 4.17Å; L158-I163 HydrophobicContact CD1-CG1 4.16Å; L158-I163 HydrophobicContact CD2-CG1 4.22Å; L158-I175 HydrophobicContact CD2-CG2 4.5Å; L158-I175 WeakPolarHBondContact CD2-O 3.4Å; L158-F178 WeakPolarHBondContact O-CA 3.46Å; L158-F178 PolarHBondContact O-N 3.47Å; L158-Q179 PolarHBondContact N-O 3.45Å; L158-L181 HydrophobicContact CB-CD2 3.91Å; L158-C207 HydrophobicContact CD1-CB 3.96Å |
| 159 | V | 95.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -40.1 | 177.6 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | E107 V157 R208 V210 | E107-V159 HydrophobicContact CB-CG1 4.09Å; E107-V159 HydrophobicContact CB-CG2 4.48Å; E107-V159 HydrophobicContact CG-CG1 4.34Å; V157-V159 PolarHBondContact O-N 2.92Å; V159-R208 WeakPolarHBondContact CA-O 3.35Å; V159-R208 WeakPolarHBondContact CB-O 3.27Å; V159-R208 PolarHBondContact N-O 2.92Å; V159-V210 HydrophobicContact CG2-CB 4.46Å; V159-V210 HydrophobicContact CG2-CG2 3.68Å |
| 160 | S | 95.7 | Very high | 95.1 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.9 | 177.8 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | L158 C207 R208 | L158-S160 WeakPolarHBondContact CD1-O 3.44Å; S160-C207 VanDerWaalsContact O-CA 3.25Å; S160-C207 WeakPolarHBondContact O-CA 3.47Å; S160-R208 PolarHBondContact N-O 3.41Å; S160-R208 VanDerWaalsContact N-O 3.14Å; S160-R208 PolarHBondContact O-N 2.85Å; S160-R208 WeakPolarHBondContact OG-CB 3.49Å |
| 161 | G | 96.2 | Very high | 94.9 | Very high | 23 Ų | 23 | 46.8 Ų | 46.8 | 24% | 0.237 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 92.5 | -162.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P177 T205 | G161-P177 WeakPolarHBondContact O-CD 3.36Å; G161-P177 WeakPolarHBondContact O-CG 3.27Å; G161-T205 WeakPolarHBondContact CA-OG1 3.47Å |
| 162 | R | 97.3 | Very high | 94.6 | Very high | 112 Ų | 112 | 46.6 Ų | 46.6 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | trans | -144.8 | 135.2 | -179.4 | -176.5 | -175.7 | -67.9 | 166.3 | -2.5 | 109.8 | Y174 D204 T205 C207 | R162-Y174 VanDerWaalsContact CD-CD1 3.41Å; R162-Y174 HydrophobicContact CG-CD1 3.63Å; R162-Y174 HydrophobicContact CG-CE1 4.38Å; R162-Y174 HydrophobicContact CG-CG 3.98Å; R162-D204 HydrophobicContact CB-CB 4.38Å; R162-D204 HydrophobicContact CG-CB 4.41Å; R162-D204 WeakPolarHBondContact O-CB 3.24Å; R162-D204 PolarHBondContact O-N 2.98Å; R162-T205 PolarHBondContact N-OG1 3.33Å; R162-C207 PolarHBondContact N-SG 2.98Å; R162-C207 VanDerWaalsContact N-SG 3.4Å; R162-C207 PolarHBondContact O-SG 3.49Å; R162-C207 VanDerWaalsContact O-SG 3.4Å | ||
| 163 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.5 | 175.4 | -62.8 | -164.3 | 0 | 0 | 0 | 109.4 | L138 L158 Y174 I175 L181 L201 T202 | L138-I163 HydrophobicContact CD2-CD1 4.24Å; L158-I163 HydrophobicContact CD1-CD1 4.17Å; L158-I163 HydrophobicContact CD1-CG1 4.16Å; L158-I163 HydrophobicContact CD2-CG1 4.22Å; I163-Y174 CarbonylContact O-C 3.53Å; I163-Y174 VanDerWaalsContact O-CA 3.27Å; I163-Y174 WeakPolarHBondContact O-CA 3.34Å; I163-I175 HydrophobicContact CB-CB 4.32Å; I163-I175 PolarHBondContact N-O 3.38Å; I163-I175 VanDerWaalsContact N-O 3.16Å; I163-I175 PolarHBondContact O-N 3Å; I163-L181 HydrophobicContact CD1-CD1 3.72Å; I163-L181 HydrophobicContact CD1-CD2 3.59Å; I163-L181 HydrophobicContact CD1-CG 4.3Å; I163-L181 HydrophobicContact CG1-CD2 4.32Å; I163-L201 HydrophobicContact CG2-CB 3.97Å; I163-L201 HydrophobicContact CG2-CD2 4.36Å; I163-T202 CarbonylContact C-O 3.57Å; I163-T202 WeakPolarHBondContact CA-O 3.41Å |
| 164 | R | 96.2 | Very high | 94.5 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 22% | 0.223 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.6 | 173.7 | -177.9 | 172 | 55 | -135.4 | -2.5 | 109.2 | E141 T166 F171 Y174 T202 D204 | E141-R164 IonicContact OE2-NH2 2.89Å; E141-R164 PolarHBondContact OE2-NH2 3.39Å; E141-R164 VanDerWaalsContact OE2-NH2 3.16Å; R164-T166 HydrophobicContact CG-CG2 4.18Å; R164-F171 HydrophobicContact CG-CD2 3.49Å; R164-F171 VanDerWaalsContact CG-CD2 3.49Å; R164-F171 HydrophobicContact CG-CE2 3.69Å; R164-Y174 HydrophobicContact CB-CD1 4.02Å; R164-Y174 HydrophobicContact CB-CE1 3.81Å; R164-Y174 HydrophobicContact CG-CD1 4.45Å; R164-Y174 HydrophobicContact CG-CE1 4.02Å; R164-T202 PolarHBondContact N-O 3.43Å; R164-T202 PolarHBondContact O-N 3.37Å; R164-D204 HydrophobicContact CB-CB 4.47Å; R164-D204 IonicContact NH1-OD1 3.16Å; R164-D204 PolarHBondContact NH1-OD1 3.44Å |
| 165 | V | 95.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.9 | 175 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | L172 H173 I175 V199 T200 L201 | V165-L172 HydrophobicContact CB-CB 4.31Å; V165-L172 HydrophobicContact CG1-CB 4.27Å; V165-L172 HydrophobicContact CG1-CD1 4.13Å; V165-L172 PolarHBondContact O-N 3.11Å; V165-H173 WeakPolarHBondContact CB-O 3.16Å; V165-H173 WeakPolarHBondContact CG2-O 3.26Å; V165-H173 PolarHBondContact N-O 3.43Å; V165-I175 HydrophobicContact CG2-CD1 3.7Å; V165-I175 HydrophobicContact CG2-CG1 3.66Å; V165-V199 HydrophobicContact CG1-CB 3.83Å; V165-V199 HydrophobicContact CG1-CG1 4.27Å; V165-V199 HydrophobicContact CG1-CG2 3.74Å; V165-T200 WeakPolarHBondContact CA-O 3.45Å; V165-L201 HydrophobicContact CB-CD2 4Å; V165-L201 HydrophobicContact CG1-CD2 3.78Å; V165-L201 HydrophobicContact CG2-CD2 3.5Å; V165-L201 VanDerWaalsContact CG2-CD2 3.5Å |
| 166 | T | 94.8 | Very high | 94.5 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.9 | 175.8 | 57.4 | 0 | 0 | 0 | 0 | 112 | R164 E170 T200 | R164-T166 HydrophobicContact CG-CG2 4.18Å; T166-E170 CarbonylContact C-O 3.5Å; T166-E170 WeakPolarHBondContact CA-O 3.23Å; T166-E170 VanDerWaalsContact CB-O 3.27Å; T166-E170 WeakPolarHBondContact CB-O 3.27Å; T166-T200 PolarHBondContact N-O 3.45Å; T166-T200 PolarHBondContact O-N 2.89Å; T166-T200 WeakPolarHBondContact OG1-CB 3.27Å |
| 167 | V | 93.5 | Very high | 94.5 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 125.5 | 170.7 | 169.4 | 0 | 0 | 0 | 0 | 108 | G169 E170 L172 V199 | V167-G169 PolarHBondContact O-N 3.38Å; V167-E170 PolarHBondContact N-O 2.78Å; V167-E170 WeakPolarHBondContact O-CB 3.42Å; V167-E170 PolarHBondContact O-N 2.85Å; V167-L172 HydrophobicContact CB-CD1 4.14Å; V167-L172 HydrophobicContact CB-CG 4.38Å; V167-L172 HydrophobicContact CG2-CD1 3.4Å; V167-L172 VanDerWaalsContact CG2-CD1 3.4Å; V167-L172 HydrophobicContact CG2-CG 4.14Å; V167-V199 HydrophobicContact CG2-CB 3.9Å; V167-V199 HydrophobicContact CG2-CG1 3.42Å; V167-V199 VanDerWaalsContact CG2-CG1 3.42Å |
| 168 | D | 92.3 | Very high | 94.4 | Very high | 135 Ų | 135 | 52.1 Ų | 52.1 | 72% | 0.722 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 30 | -177.2 | -58.3 | -34.9 | 0 | 0 | 0 | 113.6 | Q147 E170 | Q147-D168 PolarHBondContact NE2-OD1 3.25Å; Q147-D168 PolarHBondContact OE1-OD1 2.8Å; D168-E170 VanDerWaalsContact C-N 3.34Å |
| 169 | G | 88.9 | Confident | 94.3 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 70% | 0.701 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | -12.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V167 | V167-G169 PolarHBondContact O-N 3.38Š|
| 170 | E | 91.8 | Very high | 94.4 | Very high | 150 Ų | 150 | 54.4 Ų | 54.4 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 136.7 | 176.1 | -62.7 | -160.8 | 142.3 | 0 | 0 | 111.6 | T166 V167 D168 | T166-E170 CarbonylContact C-O 3.5Å; T166-E170 WeakPolarHBondContact CA-O 3.23Å; T166-E170 VanDerWaalsContact CB-O 3.27Å; T166-E170 WeakPolarHBondContact CB-O 3.27Å; V167-E170 PolarHBondContact N-O 2.78Å; V167-E170 WeakPolarHBondContact O-CB 3.42Å; V167-E170 PolarHBondContact O-N 2.85Å; D168-E170 VanDerWaalsContact C-N 3.34Å |
| 171 | F | 91.3 | Very high | 94.5 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.4 | 178.2 | 171.2 | -111.6 | 0 | 0 | 0 | 111.9 | R164 H173 Y174 R249 | R164-F171 HydrophobicContact CG-CD2 3.49Å; R164-F171 VanDerWaalsContact CG-CD2 3.49Å; R164-F171 HydrophobicContact CG-CE2 3.69Å; F171-H173 VanDerWaalsContact CE2-O 3.25Å; F171-H173 WeakPolarHBondContact CE2-O 3.46Å; F171-Y174 HydrophobicContact CE1-CE2 4.29Å; F171-Y174 HydrophobicContact CE2-CD1 4.05Å; F171-Y174 HydrophobicContact CE2-CD2 4.03Å; F171-Y174 AromaticContact CE2-CE1 3.97Å; F171-Y174 HydrophobicContact CE2-CE1 3.97Å; F171-Y174 AromaticContact CE2-CE2 3.91Å; F171-Y174 HydrophobicContact CE2-CE2 3.91Å; F171-Y174 HydrophobicContact CE2-CG 4.07Å; F171-Y174 AromaticContact CE2-CZ 3.88Å; F171-Y174 HydrophobicContact CZ-CD1 4.37Å; F171-Y174 AromaticContact CZ-CD2 3.5Å; F171-Y174 HydrophobicContact CZ-CD2 3.5Å; F171-Y174 HydrophobicContact CZ-CE1 4.34Å; F171-Y174 AromaticContact CZ-CE2 3.43Å; F171-Y174 HydrophobicContact CZ-CE2 3.43Å; F171-Y174 VanDerWaalsContact CZ-CE2 3.43Å; F171-Y174 AromaticContact CZ-CG 3.97Å; F171-Y174 HydrophobicContact CZ-CG 3.97Å; F171-Y174 AromaticContact CZ-CZ 3.88Å; F171-R249 VanDerWaalsContact CE1-NH1 3.26Å |
| 172 | L | 88.9 | Confident | 94.4 | Very high | 60 Ų | 60 | 51 Ų | 51 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -62 | 176.9 | -70.1 | -173.8 | 0 | 0 | 0 | 112.9 | V165 V167 V199 R249 | V165-L172 HydrophobicContact CB-CB 4.31Å; V165-L172 HydrophobicContact CG1-CB 4.27Å; V165-L172 HydrophobicContact CG1-CD1 4.13Å; V165-L172 PolarHBondContact O-N 3.11Å; V167-L172 HydrophobicContact CB-CD1 4.14Å; V167-L172 HydrophobicContact CB-CG 4.38Å; V167-L172 HydrophobicContact CG2-CD1 3.4Å; V167-L172 VanDerWaalsContact CG2-CD1 3.4Å; V167-L172 HydrophobicContact CG2-CG 4.14Å; L172-V199 HydrophobicContact CD1-CG1 4.26Å; L172-R249 PolarHBondContact O-NH1 3.45Å |
| 173 | H | 91.7 | Very high | 94.3 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 11% | 0.106 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 171.1 | -178.8 | 63.6 | -77.7 | 0 | 0 | 0 | 111.4 | V165 F171 | V165-H173 WeakPolarHBondContact CB-O 3.16Å; V165-H173 WeakPolarHBondContact CG2-O 3.26Å; V165-H173 PolarHBondContact N-O 3.43Å; F171-H173 VanDerWaalsContact CE2-O 3.25Å; F171-H173 WeakPolarHBondContact CE2-O 3.46Å |
| 174 | Y | 94.3 | Very high | 94.1 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141.7 | 170.3 | -69.9 | -68.6 | 0 | 0 | 0 | 110 | R162 I163 R164 F171 D204 | R162-Y174 VanDerWaalsContact CD-CD1 3.41Å; R162-Y174 HydrophobicContact CG-CD1 3.63Å; R162-Y174 HydrophobicContact CG-CE1 4.38Å; R162-Y174 HydrophobicContact CG-CG 3.98Å; I163-Y174 CarbonylContact O-C 3.53Å; I163-Y174 VanDerWaalsContact O-CA 3.27Å; I163-Y174 WeakPolarHBondContact O-CA 3.34Å; R164-Y174 HydrophobicContact CB-CD1 4.02Å; R164-Y174 HydrophobicContact CB-CE1 3.81Å; R164-Y174 HydrophobicContact CG-CD1 4.45Å; R164-Y174 HydrophobicContact CG-CE1 4.02Å; F171-Y174 HydrophobicContact CE1-CE2 4.29Å; F171-Y174 HydrophobicContact CE2-CD1 4.05Å; F171-Y174 HydrophobicContact CE2-CD2 4.03Å; F171-Y174 AromaticContact CE2-CE1 3.97Å; F171-Y174 HydrophobicContact CE2-CE1 3.97Å; F171-Y174 AromaticContact CE2-CE2 3.91Å; F171-Y174 HydrophobicContact CE2-CE2 3.91Å; F171-Y174 HydrophobicContact CE2-CG 4.07Å; F171-Y174 AromaticContact CE2-CZ 3.88Å; F171-Y174 HydrophobicContact CZ-CD1 4.37Å; F171-Y174 AromaticContact CZ-CD2 3.5Å; F171-Y174 HydrophobicContact CZ-CD2 3.5Å; F171-Y174 HydrophobicContact CZ-CE1 4.34Å; F171-Y174 AromaticContact CZ-CE2 3.43Å; F171-Y174 HydrophobicContact CZ-CE2 3.43Å; F171-Y174 VanDerWaalsContact CZ-CE2 3.43Å; F171-Y174 AromaticContact CZ-CG 3.97Å; F171-Y174 HydrophobicContact CZ-CG 3.97Å; F171-Y174 AromaticContact CZ-CZ 3.88Å; Y174-D204 HydrophobicContact CE1-CB 4.16Å |
| 175 | I | 96.2 | Very high | 94 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124.5 | 166.9 | -55.3 | 176.4 | 0 | 0 | 0 | 107.6 | L158 I163 V165 Q179 L181 L201 | L158-I175 HydrophobicContact CD2-CG2 4.5Å; L158-I175 WeakPolarHBondContact CD2-O 3.4Å; I163-I175 HydrophobicContact CB-CB 4.32Å; I163-I175 PolarHBondContact N-O 3.38Å; I163-I175 VanDerWaalsContact N-O 3.16Å; I163-I175 PolarHBondContact O-N 3Å; V165-I175 HydrophobicContact CG2-CD1 3.7Å; V165-I175 HydrophobicContact CG2-CG1 3.66Å; I175-Q179 HydrophobicContact CG2-CB 3.68Å; I175-L181 HydrophobicContact CB-CD2 4.46Å; I175-L181 HydrophobicContact CD1-CD2 4.19Å; I175-L181 HydrophobicContact CG2-CD2 3.89Å; I175-L201 HydrophobicContact CD1-CD2 4.07Å |
| 176 | S | 95.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 163.2 | -177.1 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | Q179 | S176-Q179 WeakPolarHBondContact O-CB 3.36Å; S176-Q179 PolarHBondContact O-N 3.39Å |
| 177 | P | 96.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 51.2 Ų | 51.2 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 144.2 | 174.4 | -28.1 | 36.2 | 0 | 0 | 0 | 112.4 | G161 Q179 | G161-P177 WeakPolarHBondContact O-CD 3.36Å; G161-P177 WeakPolarHBondContact O-CG 3.27Å; P177-Q179 PolarHBondContact O-N 3Å |
| 178 | F | 95.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 26% | 0.263 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 8.7 | -177.4 | -43.3 | -63.7 | 0 | 0 | 0 | 115.9 | V110 L111 S114 L115 L158 | V110-F178 HydrophobicContact CG1-CE1 3.72Å; V110-F178 HydrophobicContact CG1-CZ 3.56Å; L111-F178 HydrophobicContact CD1-CD1 4.4Å; S114-F178 VanDerWaalsContact OG-CZ 3.29Å; S114-F178 WeakPolarHBondContact OG-CZ 3.16Å; L115-F178 HydrophobicContact CD1-CB 4.18Å; L115-F178 HydrophobicContact CD2-CB 3.89Å; L115-F178 HydrophobicContact CG-CB 3.97Å; L158-F178 WeakPolarHBondContact O-CA 3.46Å; L158-F178 PolarHBondContact O-N 3.47Å |
| 179 | Q | 96.5 | Very high | 93.5 | Very high | 51 Ų | 51 | 48 Ų | 48 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -96.1 | 152.4 | 168.2 | -65.3 | -179.9 | -27.6 | 0 | 0 | 111 | L158 I175 S176 P177 D238 | L158-Q179 PolarHBondContact N-O 3.45Å; I175-Q179 HydrophobicContact CG2-CB 3.68Å; S176-Q179 WeakPolarHBondContact O-CB 3.36Å; S176-Q179 PolarHBondContact O-N 3.39Å; P177-Q179 PolarHBondContact O-N 3Å; Q179-D238 VanDerWaalsContact CA-OD1 3.27Å; Q179-D238 WeakPolarHBondContact CA-OD1 3.41Å; Q179-D238 WeakPolarHBondContact CB-OD1 3.39Å |
| 180 | F | 97.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 147 | 173.3 | -75.3 | -92.8 | 0 | 0 | 0 | 110.3 | L155 S156 V157 F231 L234 I235 D238 K242 | L155-F180 HydrophobicContact CD1-CD1 3.65Å; L155-F180 HydrophobicContact CD1-CE1 4.03Å; L155-F180 HydrophobicContact CD2-CD1 4.14Å; L155-F180 HydrophobicContact CD2-CE1 3.64Å; L155-F180 HydrophobicContact CG-CD1 3.77Å; L155-F180 HydrophobicContact CG-CE1 3.76Å; S156-F180 CarbonylContact O-C 3.24Å; S156-F180 VanDerWaalsContact O-CA 3.31Å; S156-F180 WeakPolarHBondContact O-CA 3.34Å; V157-F180 HydrophobicContact CG2-CD1 3.34Å; V157-F180 HydrophobicContact CG2-CD2 4.12Å; V157-F180 HydrophobicContact CG2-CE1 3.18Å; V157-F180 HydrophobicContact CG2-CE2 3.98Å; V157-F180 HydrophobicContact CG2-CG 3.83Å; V157-F180 HydrophobicContact CG2-CZ 3.53Å; F180-F231 HydrophobicContact CE1-CE1 4.49Å; F180-L234 HydrophobicContact CE2-CB 3.99Å; F180-L234 HydrophobicContact CZ-CB 4.25Å; F180-I235 HydrophobicContact CE1-CG1 4.46Å; F180-I235 HydrophobicContact CZ-CG1 4.31Å; F180-D238 HydrophobicContact CD2-CB 3.86Å; F180-D238 PolarHBondContact N-OD1 3.3Å; F180-K242 WeakPolarHBondContact O-CE 3.31Å; F180-K242 PolarHBondContact O-NZ 2.89Å |
| 181 | L | 97.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -82 | -31.9 | 176 | -60.1 | -172.3 | 0 | 0 | 0 | 112 | Y144 S156 L158 I163 I175 L201 Y209 | Y144-L181 HydrophobicContact CD1-CD1 4.38Å; Y144-L181 HydrophobicContact CD2-CD1 3.84Å; Y144-L181 HydrophobicContact CE1-CB 4.11Å; Y144-L181 HydrophobicContact CE1-CD1 4.36Å; Y144-L181 HydrophobicContact CE2-CD1 3.85Å; Y144-L181 HydrophobicContact CG-CD1 4.11Å; S156-L181 PolarHBondContact O-N 3.36Å; L158-L181 HydrophobicContact CB-CD2 3.91Å; I163-L181 HydrophobicContact CD1-CD1 3.72Å; I163-L181 HydrophobicContact CD1-CD2 3.59Å; I163-L181 HydrophobicContact CD1-CG 4.3Å; I163-L181 HydrophobicContact CG1-CD2 4.32Å; I175-L181 HydrophobicContact CB-CD2 4.46Å; I175-L181 HydrophobicContact CD1-CD2 4.19Å; I175-L181 HydrophobicContact CG2-CD2 3.89Å; L181-L201 HydrophobicContact CB-CD1 4.43Å; L181-L201 WeakPolarHBondContact O-CD1 3.35Å; L181-Y209 HydrophobicContact CD1-CD1 4.44Å; L181-Y209 HydrophobicContact CD1-CD2 4.4Å; L181-Y209 HydrophobicContact CD1-CG 4.12Å |
| 182 | D | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -138.9 | 22.5 | -161.7 | 49.9 | 1.4 | 0 | 0 | 0 | 112.3 | Y144 L155 S156 E185 W186 F197 | Y144-D182 PolarHBondContact OH-OD2 2.94Å; L155-D182 WeakPolarHBondContact CA-OD1 3.43Å; L155-D182 VanDerWaalsContact CA-OD2 3.28Å; L155-D182 WeakPolarHBondContact CA-OD2 3.48Å; L155-D182 WeakPolarHBondContact CD1-OD1 3.42Å; S156-D182 PolarHBondContact N-OD1 3.01Å; S156-D182 PolarHBondContact N-OD2 3.45Å; D182-E185 WeakPolarHBondContact CA-OE2 3.43Å; D182-E185 PolarHBondContact O-N 3.35Å; D182-W186 WeakPolarHBondContact O-CB 3.38Å; D182-W186 PolarHBondContact O-N 3.26Å; D182-F197 HydrophobicContact CB-CE1 3.94Å; D182-F197 HydrophobicContact CB-CZ 3.72Å |
| 183 | S | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 178.7 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | W186 D187 D238 K242 | S183-W186 PolarHBondContact O-N 3.47Å; S183-D187 WeakPolarHBondContact O-CB 3.13Å; S183-D187 PolarHBondContact O-N 3.26Å; S183-D238 PolarHBondContact OG-OD2 3.38Å; S183-K242 PolarHBondContact OG-NZ 2.84Å |
| 184 | P | 93.7 | Very high | 92.9 | Very high | 53 Ų | 53 | 60 Ų | 60 | 34% | 0.344 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 176.6 | -18.5 | 33.9 | 0 | 0 | 0 | 112 | W186 D187 S188 I239 K242 | P184-W186 VanDerWaalsContact C-N 3.31Å; P184-W186 PolarHBondContact O-N 2.85Å; P184-D187 PolarHBondContact O-N 3.48Å; P184-S188 VanDerWaalsContact O-CB 3.28Å; P184-S188 WeakPolarHBondContact O-CB 3.38Å; P184-S188 PolarHBondContact O-N 2.7Å; P184-S188 PolarHBondContact O-OG 3.18Å; P184-I239 HydrophobicContact CG-CG1 4.43Å; P184-K242 HydrophobicContact CG-CD 4.2Å |
| 185 | E | 92.8 | Very high | 92.7 | Very high | 24 Ų | 24 | 57 Ų | 57 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.8 | -71.8 | 80.7 | -175.5 | 0 | 0 | 111.2 | I152 D182 S188 F197 | I152-E185 HydrophobicContact CD1-CB 3.65Å; I152-E185 HydrophobicContact CD1-CG 3.94Å; I152-E185 HydrophobicContact CG1-CB 3.99Å; I152-E185 HydrophobicContact CG1-CG 4.34Å; I152-E185 HydrophobicContact CG2-CB 4.06Å; D182-E185 WeakPolarHBondContact CA-OE2 3.43Å; D182-E185 PolarHBondContact O-N 3.35Å; E185-S188 PolarHBondContact O-OG 3.33Å; E185-F197 HydrophobicContact CB-CE1 4.44Å; E185-F197 HydrophobicContact CG-CD1 3.89Å; E185-F197 HydrophobicContact CG-CE1 3.93Å |
| 186 | W | 92.2 | Very high | 92.6 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 4% | 0.038 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 179.1 | 174.4 | -87 | 0 | 0 | 0 | 113 | L155 D182 S183 P184 R214 L217 Y218 F221 | L155-W186 HydrophobicContact CB-CD2 4.08Å; L155-W186 HydrophobicContact CB-CE3 3.67Å; L155-W186 HydrophobicContact CB-CH2 4.49Å; L155-W186 HydrophobicContact CB-CZ3 3.87Å; L155-W186 HydrophobicContact CD1-CB 3.77Å; L155-W186 HydrophobicContact CD1-CD2 3.99Å; L155-W186 HydrophobicContact CD1-CE3 4.3Å; L155-W186 HydrophobicContact CD1-CG 3.73Å; L155-W186 HydrophobicContact CD2-CD2 4.48Å; L155-W186 HydrophobicContact CG-CD2 4.42Å; L155-W186 HydrophobicContact CG-CE3 4.47Å; D182-W186 WeakPolarHBondContact O-CB 3.38Å; D182-W186 PolarHBondContact O-N 3.26Å; S183-W186 PolarHBondContact O-N 3.47Å; P184-W186 VanDerWaalsContact C-N 3.31Å; P184-W186 PolarHBondContact O-N 2.85Å; W186-R214 HydrophobicContact CE3-CG 4.28Å; W186-R214 HydrophobicContact CH2-CB 3.87Å; W186-R214 HydrophobicContact CH2-CG 3.55Å; W186-R214 HydrophobicContact CZ3-CB 3.46Å; W186-R214 VanDerWaalsContact CZ3-CB 3.46Å; W186-R214 HydrophobicContact CZ3-CG 3.38Å; W186-R214 PolarHBondContact O-NH1 2.87Å; W186-R214 VanDerWaalsContact O-NH1 3.16Å; W186-L217 HydrophobicContact CH2-CB 4.21Å; W186-L217 HydrophobicContact CH2-CD2 3.84Å; W186-L217 HydrophobicContact CH2-CG 4.44Å; W186-L217 HydrophobicContact CZ2-CD2 3.94Å; W186-Y218 HydrophobicContact CH2-CD2 4.14Å; W186-Y218 AromaticContact CH2-CE2 3.81Å; W186-Y218 HydrophobicContact CH2-CE2 3.81Å; W186-Y218 HydrophobicContact CZ2-CD2 4.27Å; W186-Y218 HydrophobicContact CZ2-CE1 4.22Å; W186-Y218 AromaticContact CZ2-CE2 3.73Å; W186-Y218 HydrophobicContact CZ2-CE2 3.73Å; W186-Y218 AromaticContact CZ2-CZ 3.69Å; W186-F221 HydrophobicContact CZ2-CE2 4.32Å |
| 187 | D | 92.9 | Very high | 92.7 | Very high | 110 Ų | 110 | 59.2 Ų | 59.2 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -75.2 | -29.1 | -174.9 | -162.5 | 59.9 | 0 | 0 | 0 | 112 | S183 P184 L189 I235 I239 | S183-D187 WeakPolarHBondContact O-CB 3.13Å; S183-D187 PolarHBondContact O-N 3.26Å; P184-D187 PolarHBondContact O-N 3.48Å; D187-L189 VanDerWaalsContact C-N 3.26Å; D187-L189 PolarHBondContact O-N 2.97Å; D187-I235 HydrophobicContact CB-CG2 4.18Å; D187-I239 HydrophobicContact CB-CD1 3.65Å |
| 188 | S | 90.9 | Very high | 92.5 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.9 | -22.4 | 177.1 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | P184 E185 | P184-S188 VanDerWaalsContact O-CB 3.28Å; P184-S188 WeakPolarHBondContact O-CB 3.38Å; P184-S188 PolarHBondContact O-N 2.7Å; P184-S188 PolarHBondContact O-OG 3.18Å; E185-S188 PolarHBondContact O-OG 3.33Å |
| 189 | L | 91.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 62 Ų | 62 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -102 | 136.1 | -175.7 | -66.1 | 177.9 | 0 | 0 | 0 | 112 | I152 D187 E193 R214 | I152-L189 HydrophobicContact CB-CD1 3.7Å; I152-L189 HydrophobicContact CD1-CD1 3.69Å; I152-L189 HydrophobicContact CD1-CG 4.46Å; I152-L189 HydrophobicContact CG1-CD1 4.3Å; I152-L189 HydrophobicContact CG2-CD1 3.77Å; D187-L189 VanDerWaalsContact C-N 3.26Å; D187-L189 PolarHBondContact O-N 2.97Å; L189-E193 HydrophobicContact CD2-CG 4.12Å; L189-R214 PolarHBondContact O-NH2 3.43Å |
| 190 | R | 88.2 | Confident | 92.5 | Very high | 166 Ų | 166 | 60.8 Ų | 60.8 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | trans | -65.4 | 156.3 | 166.5 | -70.3 | 178.2 | -68.5 | -167.7 | -3.4 | 110.9 | T192 E193 R214 | R190-T192 PolarHBondContact O-N 3.33Å; R190-T192 VanDerWaalsContact O-N 3.09Å; R190-E193 HydrophobicContact CB-CB 4.04Å; R190-E193 IonicContact CZ-OE2 3.4Å; R190-E193 IonicContact NE-OE2 2.75Å; R190-E193 PolarHBondContact NE-OE2 3.26Å; R190-E193 IonicContact NH2-OE2 2.99Å; R190-E193 PolarHBondContact NH2-OE2 3.17Å; R190-E193 PolarHBondContact O-N 3.46Å; R190-R214 PolarHBondContact O-NH2 3.45Å | ||
| 191 | P | 84.5 | Confident | 92.6 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.6 | -178.2 | -25.8 | 33.3 | 0 | 0 | 0 | 114.8 | Y218 | P191-Y218 HydrophobicContact CB-CD1 4.34Å; P191-Y218 HydrophobicContact CB-CD2 4.18Å; P191-Y218 HydrophobicContact CB-CE1 4.04Å; P191-Y218 HydrophobicContact CB-CE2 3.83Å; P191-Y218 HydrophobicContact CB-CG 4.43Å; P191-Y218 HydrophobicContact CG-CD1 4.31Å; P191-Y218 HydrophobicContact CG-CE1 3.71Å; P191-Y218 HydrophobicContact CG-CE2 4.28Å |
| 192 | T | 85.2 | Confident | 92.6 | Very high | 134 Ų | 134 | 61 Ų | 61 | 82% | 0.822 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -4.4 | 179.5 | 56 | 0 | 0 | 0 | 0 | 113.8 | R190 | R190-T192 PolarHBondContact O-N 3.33Å; R190-T192 VanDerWaalsContact O-N 3.09Å |
| 193 | E | 90.6 | Very high | 92.7 | Very high | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -96.7 | 136.1 | -173.6 | -166.6 | 164.5 | 170.9 | 0 | 0 | 110.1 | L189 R190 | L189-E193 HydrophobicContact CD2-CG 4.12Å; R190-E193 HydrophobicContact CB-CB 4.04Å; R190-E193 IonicContact CZ-OE2 3.4Å; R190-E193 IonicContact NE-OE2 2.75Å; R190-E193 PolarHBondContact NE-OE2 3.26Å; R190-E193 IonicContact NH2-OE2 2.99Å; R190-E193 PolarHBondContact NH2-OE2 3.17Å; R190-E193 PolarHBondContact O-N 3.46Å | ||
| 194 | E | 90.1 | Very high | 92.8 | Very high | 185 Ų | 185 | 62.5 Ų | 62.5 | 86% | 0.864 | 33% | 0.331 | S | S | * | . | trans | -96.9 | 142.7 | 173.5 | -63.8 | -174.6 | 171.7 | 0 | 0 | 109 | ||||
| 195 | G | 91.9 | Very high | 93 | Very high | 18 Ų | 18 | 62.5 Ų | 62.5 | 19% | 0.186 | 33% | 0.33 | C | S | . | . | trans | -144.9 | 168.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S151 I152 | S151-G195 WeakPolarHBondContact CA-O 3.49Å; I152-G195 PolarHBondContact N-O 2.97Å | ||
| 196 | I | 94 | Very high | 93.2 | Very high | 98 Ų | 98 | 66.8 Ų | 66.8 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -118.7 | 148.3 | 178.5 | 60.5 | -176 | 0 | 0 | 0 | 109.5 | T150 I152 Q198 | T150-I196 CarbonylContact O-C 3.6Å; T150-I196 WeakPolarHBondContact O-CA 3.45Å; I152-I196 WeakPolarHBondContact CD1-O 3.38Å; I196-Q198 PolarHBondContact O-N 3.5Å |
| 197 | F | 95.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 1% | 0.013 | 35% | 0.353 | C | S | . | . | trans | -60.5 | 132.1 | 175.3 | -85.4 | -95.8 | 0 | 0 | 0 | 110.5 | Y144 A145 Q147 G148 T150 I152 D182 E185 L201 | Y144-F197 HydrophobicContact CE1-CE1 4.2Å; Y144-F197 AromaticContact CE1-CZ 3.79Å; Y144-F197 HydrophobicContact CE1-CZ 3.79Å; A145-F197 HydrophobicContact CB-CB 4.07Å; A145-F197 HydrophobicContact CB-CD1 3.59Å; A145-F197 HydrophobicContact CB-CD2 3.71Å; A145-F197 HydrophobicContact CB-CE1 3.89Å; A145-F197 HydrophobicContact CB-CE2 3.99Å; A145-F197 HydrophobicContact CB-CG 3.49Å; A145-F197 VanDerWaalsContact CB-CG 3.49Å; A145-F197 HydrophobicContact CB-CZ 4.08Å; Q147-F197 WeakPolarHBondContact CA-O 3.42Å; G148-F197 PolarHBondContact N-O 3.3Å; T150-F197 HydrophobicContact CG2-CD2 3.85Å; T150-F197 HydrophobicContact CG2-CE2 4.12Å; T150-F197 WeakPolarHBondContact O-CD2 3.31Å; T150-F197 PolarHBondContact O-N 3.18Å; I152-F197 HydrophobicContact CB-CE2 4.4Å; I152-F197 HydrophobicContact CG1-CD2 3.73Å; I152-F197 HydrophobicContact CG1-CE2 3.82Å; I152-F197 HydrophobicContact CG1-CG 4.32Å; I152-F197 HydrophobicContact CG1-CZ 4.45Å; D182-F197 HydrophobicContact CB-CE1 3.94Å; D182-F197 HydrophobicContact CB-CZ 3.72Å; E185-F197 HydrophobicContact CB-CE1 4.44Å; E185-F197 HydrophobicContact CG-CD1 3.89Å; E185-F197 HydrophobicContact CG-CE1 3.93Å; F197-L201 HydrophobicContact CD1-CD1 4.3Å; F197-L201 HydrophobicContact CE1-CD1 3.87Å | ||
| 198 | Q | 94 | Very high | 93.6 | Very high | 153 Ų | 153 | 66.4 Ų | 66.4 | 72% | 0.715 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -91.8 | -8.2 | 177 | -62.4 | -176 | 1.7 | 0 | 0 | 112.6 | Q147 I196 | Q147-Q198 VanDerWaalsContact CG-O 3.31Å; Q147-Q198 WeakPolarHBondContact CG-O 3.48Å; I196-Q198 PolarHBondContact O-N 3.5Å |
| 199 | V | 94.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -128.7 | 157.5 | 179.8 | -50.7 | 0 | 0 | 0 | 0 | 109.7 | Q147 V165 V167 L172 L201 | Q147-V199 PolarHBondContact N-O 2.89Å; V165-V199 HydrophobicContact CG1-CB 3.83Å; V165-V199 HydrophobicContact CG1-CG1 4.27Å; V165-V199 HydrophobicContact CG1-CG2 3.74Å; V167-V199 HydrophobicContact CG2-CB 3.9Å; V167-V199 HydrophobicContact CG2-CG1 3.42Å; V167-V199 VanDerWaalsContact CG2-CG1 3.42Å; L172-V199 HydrophobicContact CD1-CG1 4.26Å; V199-L201 HydrophobicContact CG2-CD2 3.88Å; V199-L201 HydrophobicContact CG2-CG 4.15Å |
| 200 | T | 96.8 | Very high | 94.1 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 15% | 0.153 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.1 | 169.6 | -61.2 | 0 | 0 | 0 | 0 | 109.2 | A145 Q147 V165 T166 | A145-T200 CarbonylContact O-C 3.47Å; A145-T200 WeakPolarHBondContact O-CA 3.23Å; A145-T200 WeakPolarHBondContact O-CG2 3.29Å; Q147-T200 WeakPolarHBondContact CB-OG1 3.36Å; Q147-T200 PolarHBondContact N-OG1 3.16Å; V165-T200 WeakPolarHBondContact CA-O 3.45Å; T166-T200 PolarHBondContact N-O 3.45Å; T166-T200 PolarHBondContact O-N 2.89Å; T166-T200 WeakPolarHBondContact OG1-CB 3.27Å |
| 201 | L | 97.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 110.1 | 179 | -62.3 | -177.2 | 0 | 0 | 0 | 108.6 | C143 Y144 A145 I163 V165 I175 L181 F197 V199 | C143-L201 CarbonylContact C-O 3.54Å; C143-L201 VanDerWaalsContact CA-O 3.29Å; C143-L201 WeakPolarHBondContact CA-O 3.38Å; Y144-L201 HydrophobicContact CD1-CB 4.15Å; Y144-L201 HydrophobicContact CD1-CD1 3.58Å; Y144-L201 HydrophobicContact CD1-CG 4.45Å; Y144-L201 HydrophobicContact CE1-CD1 4.01Å; Y144-L201 PolarHBondContact N-O 3.37Å; A145-L201 HydrophobicContact CB-CB 4.36Å; A145-L201 HydrophobicContact CB-CD1 4.4Å; A145-L201 HydrophobicContact CB-CG 4.42Å; A145-L201 PolarHBondContact N-O 3.13Å; A145-L201 PolarHBondContact O-N 3.03Å; I163-L201 HydrophobicContact CG2-CB 3.97Å; I163-L201 HydrophobicContact CG2-CD2 4.36Å; V165-L201 HydrophobicContact CB-CD2 4Å; V165-L201 HydrophobicContact CG1-CD2 3.78Å; V165-L201 HydrophobicContact CG2-CD2 3.5Å; V165-L201 VanDerWaalsContact CG2-CD2 3.5Å; I175-L201 HydrophobicContact CD1-CD2 4.07Å; L181-L201 HydrophobicContact CB-CD1 4.43Å; L181-L201 WeakPolarHBondContact O-CD1 3.35Å; F197-L201 HydrophobicContact CD1-CD1 4.3Å; F197-L201 HydrophobicContact CE1-CD1 3.87Å; V199-L201 HydrophobicContact CG2-CD2 3.88Å; V199-L201 HydrophobicContact CG2-CG 4.15Å |
| 202 | T | 97.7 | Very high | 95 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.7 | -176.7 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | C143 I163 R164 D204 | C143-T202 PolarHBondContact SG-OG1 3.38Å; I163-T202 CarbonylContact C-O 3.57Å; I163-T202 WeakPolarHBondContact CA-O 3.41Å; R164-T202 PolarHBondContact N-O 3.43Å; R164-T202 PolarHBondContact O-N 3.37Å; T202-D204 PolarHBondContact O-N 2.99Å |
| 203 | A | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 116.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L138 E139 E141 H142 T205 | L138-A203 HydrophobicContact CD2-CB 3.76Å; L138-A203 HydrophobicContact CG-CB 3.84Å; E139-A203 VanDerWaalsContact O-CB 3.31Å; E139-A203 WeakPolarHBondContact O-CB 3.45Å; E141-A203 WeakPolarHBondContact CA-O 3.49Å; E141-A203 PolarHBondContact N-O 3.14Å; H142-A203 PolarHBondContact O-N 3.34Å; A203-T205 WeakPolarHBondContact CB-O 3.5Å |
| 204 | D | 96.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 16% | 0.16 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -80.1 | -26.2 | 174.6 | -168.4 | 59.1 | 0 | 0 | 0 | 111.5 | K140 R162 R164 Y174 T202 | K140-D204 VanDerWaalsContact CE-O 3.28Å; K140-D204 WeakPolarHBondContact CE-O 3.22Å; K140-D204 WeakPolarHBondContact CG-O 3.25Å; R162-D204 HydrophobicContact CB-CB 4.38Å; R162-D204 HydrophobicContact CG-CB 4.41Å; R162-D204 WeakPolarHBondContact O-CB 3.24Å; R162-D204 PolarHBondContact O-N 2.98Å; R164-D204 HydrophobicContact CB-CB 4.47Å; R164-D204 IonicContact NH1-OD1 3.16Å; R164-D204 PolarHBondContact NH1-OD1 3.44Å; Y174-D204 HydrophobicContact CE1-CB 4.16Å; T202-D204 PolarHBondContact O-N 2.99Å |
| 205 | T | 97.5 | Very high | 95.7 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -135.2 | 171.7 | 173.1 | 67.3 | 0 | 0 | 0 | 0 | 109.5 | G161 R162 A203 C207 | G161-T205 WeakPolarHBondContact CA-OG1 3.47Å; R162-T205 PolarHBondContact N-OG1 3.33Å; A203-T205 WeakPolarHBondContact CB-O 3.5Å; T205-C207 PolarHBondContact O-N 3.19Å; T205-C207 PolarHBondContact O-SG 3.47Å |
| 206 | D | 97.4 | Very high | 95.8 | Very high | 114 Ų | 114 | 52.5 Ų | 52.5 | 61% | 0.61 | 24% | 0.243 | S | C | * | . | trans | -57.9 | 126.2 | 166.5 | -61.2 | -33.5 | 0 | 0 | 0 | 109.8 | K140 | K140-D206 PolarHBondContact N-OD1 2.86Š| ||
| 207 | C | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.5 | -172.2 | -70.6 | 0 | 0 | 0 | 0 | 111 | L138 L158 S160 R162 T205 | L138-C207 HydrophobicContact CB-CB 4.17Å; L138-C207 PolarHBondContact N-O 2.96Å; L138-C207 PolarHBondContact O-N 3.24Å; L158-C207 HydrophobicContact CD1-CB 3.96Å; S160-C207 VanDerWaalsContact O-CA 3.25Å; S160-C207 WeakPolarHBondContact O-CA 3.47Å; R162-C207 PolarHBondContact N-SG 2.98Å; R162-C207 VanDerWaalsContact N-SG 3.4Å; R162-C207 PolarHBondContact O-SG 3.49Å; R162-C207 VanDerWaalsContact O-SG 3.4Å; T205-C207 PolarHBondContact O-N 3.19Å; T205-C207 PolarHBondContact O-SG 3.47Å |
| 208 | R | 96.1 | Very high | 95.7 | Very high | 108 Ų | 108 | 50.6 Ų | 50.6 | 41% | 0.408 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.4 | 163.4 | -65.6 | -166.5 | 173.5 | 173.3 | -0.9 | 108.6 | E107 V136 T137 V159 S160 | E107-R208 WeakPolarHBondContact OE1-CD 3.48Å; E107-R208 IonicContact OE1-CZ 3.26Å; E107-R208 IonicContact OE1-NE 3.9Å; E107-R208 IonicContact OE1-NH1 3.45Å; E107-R208 PolarHBondContact OE1-NH1 3.39Å; V136-R208 WeakPolarHBondContact O-CA 3.37Å; T137-R208 HydrophobicContact CG2-CG 4.12Å; V159-R208 WeakPolarHBondContact CA-O 3.35Å; V159-R208 WeakPolarHBondContact CB-O 3.27Å; V159-R208 PolarHBondContact N-O 2.92Å; S160-R208 PolarHBondContact N-O 3.41Å; S160-R208 VanDerWaalsContact N-O 3.14Å; S160-R208 PolarHBondContact O-N 2.85Å; S160-R208 WeakPolarHBondContact OG-CB 3.49Å |
| 209 | Y | 96.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 154.8 | 177.7 | 65.5 | -91.5 | 0 | 0 | 0 | 110.9 | V136 L138 Y144 V157 L181 | V136-Y209 HydrophobicContact CB-CD1 4.35Å; V136-Y209 HydrophobicContact CB-CD2 4.24Å; V136-Y209 HydrophobicContact CB-CE1 3.81Å; V136-Y209 HydrophobicContact CB-CE2 3.7Å; V136-Y209 VanDerWaalsContact CB-CZ 3.47Å; V136-Y209 HydrophobicContact CG1-CE1 3.85Å; V136-Y209 HydrophobicContact CG1-CE2 4.29Å; V136-Y209 VanDerWaalsContact CG1-OH 3.32Å; V136-Y209 WeakPolarHBondContact CG1-OH 3.36Å; V136-Y209 HydrophobicContact CG2-CE2 3.98Å; V136-Y209 PolarHBondContact N-O 2.86Å; V136-Y209 PolarHBondContact O-N 3.15Å; L138-Y209 HydrophobicContact CB-CD1 4.42Å; L138-Y209 HydrophobicContact CB-CE1 4.04Å; Y144-Y209 HydrophobicContact CD2-CE1 4.04Å; Y144-Y209 HydrophobicContact CD2-CE2 4.06Å; Y144-Y209 AromaticContact CD2-CZ 3.67Å; Y144-Y209 HydrophobicContact CE2-CD2 4.32Å; Y144-Y209 HydrophobicContact CE2-CE1 4.47Å; Y144-Y209 AromaticContact CE2-CE2 3.68Å; Y144-Y209 HydrophobicContact CE2-CE2 3.68Å; Y144-Y209 AromaticContact CE2-CZ 3.76Å; V157-Y209 CarbonylContact O-C 3.5Å; V157-Y209 VanDerWaalsContact O-CA 3.22Å; V157-Y209 WeakPolarHBondContact O-CA 3.36Å; V157-Y209 VanDerWaalsContact O-CB 3.27Å; V157-Y209 WeakPolarHBondContact O-CB 3.26Å; L181-Y209 HydrophobicContact CD1-CD1 4.44Å; L181-Y209 HydrophobicContact CD1-CD2 4.4Å; L181-Y209 HydrophobicContact CD1-CG 4.12Å |
| 210 | V | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.8 | 174 | 173.5 | 0 | 0 | 0 | 0 | 107.4 | F108 L111 S133 E134 V135 S156 V157 V159 W212 | F108-V210 HydrophobicContact CD1-CG2 4.24Å; F108-V210 HydrophobicContact CE1-CG1 3.8Å; F108-V210 HydrophobicContact CE1-CG2 3.94Å; L111-V210 HydrophobicContact CD2-CB 4.21Å; L111-V210 HydrophobicContact CD2-CG1 4.31Å; L111-V210 HydrophobicContact CD2-CG2 4.03Å; S133-V210 VanDerWaalsContact CB-CG1 3.44Å; E134-V210 WeakPolarHBondContact O-CA 3.41Å; V135-V210 HydrophobicContact CG2-CG2 4.17Å; S156-V210 CarbonylContact C-O 3.45Å; S156-V210 WeakPolarHBondContact CA-O 3.44Å; V157-V210 PolarHBondContact N-O 2.83Å; V157-V210 PolarHBondContact O-N 3.3Å; V159-V210 HydrophobicContact CG2-CB 4.46Å; V159-V210 HydrophobicContact CG2-CG2 3.68Å; V210-W212 HydrophobicContact CB-CH2 4.06Å; V210-W212 HydrophobicContact CB-CZ3 4.34Å; V210-W212 HydrophobicContact CG1-CD2 4.49Å; V210-W212 HydrophobicContact CG1-CE3 4.4Å; V210-W212 HydrophobicContact CG1-CH2 3.4Å; V210-W212 HydrophobicContact CG1-CZ2 3.5Å; V210-W212 VanDerWaalsContact CG1-CZ2 3.5Å; V210-W212 HydrophobicContact CG1-CZ3 3.88Å; V210-W212 WeakPolarHBondContact O-CZ3 3.41Å |
| 211 | S | 95.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.1 | -175 | -159.8 | 0 | 0 | 0 | 0 | 112.2 | S133 E134 L155 S156 | S133-S211 CarbonylContact C-O 3.6Å; S133-S211 WeakPolarHBondContact CA-O 3.3Å; S133-S211 WeakPolarHBondContact CB-O 3.16Å; E134-S211 PolarHBondContact N-O 3.43Å; E134-S211 PolarHBondContact O-N 3.41Å; L155-S211 CarbonylContact O-C 3.57Å; L155-S211 WeakPolarHBondContact O-CA 3.41Å; S156-S211 WeakPolarHBondContact OG-CB 3.26Å; S156-S211 PolarHBondContact OG-OG 3.22Å |
| 212 | W | 96.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.011 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125 | 174.4 | -63.3 | -91.5 | 0 | 0 | 0 | 109.6 | L111 I129 S132 S133 R154 L155 V157 V210 R214 L217 F231 | L111-W212 HydrophobicContact CD2-CH2 4.26Å; I129-W212 HydrophobicContact CG2-CZ2 3.7Å; I129-W212 PolarHBondContact O-NE1 2.95Å; S132-W212 PolarHBondContact OG-NE1 2.99Å; S133-W212 VanDerWaalsContact CB-NE1 3.29Å; R154-W212 CarbonylContact C-O 3.59Å; R154-W212 VanDerWaalsContact CA-O 3.22Å; R154-W212 WeakPolarHBondContact CA-O 3.47Å; R154-W212 WeakPolarHBondContact CB-O 3.49Å; L155-W212 PolarHBondContact N-O 3.03Å; L155-W212 PolarHBondContact O-N 2.92Å; V157-W212 HydrophobicContact CB-CZ3 4.22Å; V157-W212 HydrophobicContact CG2-CH2 4.22Å; V157-W212 HydrophobicContact CG2-CZ3 3.81Å; V210-W212 HydrophobicContact CB-CH2 4.06Å; V210-W212 HydrophobicContact CB-CZ3 4.34Å; V210-W212 HydrophobicContact CG1-CD2 4.49Å; V210-W212 HydrophobicContact CG1-CE3 4.4Å; V210-W212 HydrophobicContact CG1-CH2 3.4Å; V210-W212 HydrophobicContact CG1-CZ2 3.5Å; V210-W212 VanDerWaalsContact CG1-CZ2 3.5Å; V210-W212 HydrophobicContact CG1-CZ3 3.88Å; V210-W212 WeakPolarHBondContact O-CZ3 3.41Å; W212-R214 PolarHBondContact O-N 2.97Å; W212-L217 HydrophobicContact CB-CB 4.15Å; W212-L217 HydrophobicContact CB-CD1 4.13Å; W212-L217 HydrophobicContact CB-CD2 3.95Å; W212-L217 HydrophobicContact CB-CG 4.3Å; W212-L217 HydrophobicContact CG-CD1 4.04Å; W212-L217 HydrophobicContact CG-CD2 4.43Å; W212-F231 HydrophobicContact CZ2-CZ 4.33Å |
| 213 | R | 94.6 | Very high | 95.2 | Very high | 160 Ų | 160 | 57.1 Ų | 57.1 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 134.5 | 172.5 | -64 | -172.8 | -174.1 | 179.1 | 1.1 | 110.5 | K215 K216 L217 | R213-K215 PolarHBondContact O-N 2.91Å; R213-K216 HydrophobicContact CB-CB 4.31Å; R213-K216 PolarHBondContact O-N 3.44Å; R213-K216 VanDerWaalsContact O-N 3.08Å; R213-L217 PolarHBondContact O-N 3.27Å |
| 214 | R | 93.9 | Very high | 95 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51.9 | -51.8 | -173.4 | -179 | 159.6 | -178.8 | 97 | -5.1 | 113.3 | D153 W186 L189 R190 W212 K216 L217 Y218 | D153-R214 WeakPolarHBondContact O-CB 3.41Å; D153-R214 PolarHBondContact O-N 3.43Å; W186-R214 HydrophobicContact CE3-CG 4.28Å; W186-R214 HydrophobicContact CH2-CB 3.87Å; W186-R214 HydrophobicContact CH2-CG 3.55Å; W186-R214 HydrophobicContact CZ3-CB 3.46Å; W186-R214 VanDerWaalsContact CZ3-CB 3.46Å; W186-R214 HydrophobicContact CZ3-CG 3.38Å; W186-R214 PolarHBondContact O-NH1 2.87Å; W186-R214 VanDerWaalsContact O-NH1 3.16Å; L189-R214 PolarHBondContact O-NH2 3.43Å; R190-R214 PolarHBondContact O-NH2 3.45Å; W212-R214 PolarHBondContact O-N 2.97Å; R214-K216 PolarHBondContact O-N 2.93Å; R214-L217 PolarHBondContact O-N 2.8Å; R214-Y218 HydrophobicContact CG-CD2 3.85Å; R214-Y218 HydrophobicContact CG-CE2 3.62Å; R214-Y218 PolarHBondContact NH2-OH 2.9Å; R214-Y218 VanDerWaalsContact O-CD2 3.28Å; R214-Y218 WeakPolarHBondContact O-CD2 3.28Å; R214-Y218 PolarHBondContact O-N 3.03Å |
| 215 | K | 92.6 | Very high | 94.9 | Very high | 185 Ų | 185 | 68.1 Ų | 68.1 | 80% | 0.804 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | -179.7 | -63.7 | -177.9 | -179.8 | 177.5 | 0 | 112.8 | R213 L219 | R213-K215 PolarHBondContact O-N 2.91Å; K215-L219 PolarHBondContact O-N 3.41Å; K215-L219 VanDerWaalsContact O-N 3.14Å |
| 216 | K | 92.6 | Very high | 94.7 | Very high | 102 Ų | 102 | 71.2 Ų | 71.2 | 44% | 0.443 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 179.8 | -170.4 | 179.8 | 178 | -167.8 | 0 | 111.1 | L131 S132 R213 R214 L219 L220 | L131-K216 PolarHBondContact O-NZ 3.1Å; S132-K216 WeakPolarHBondContact O-CD 3.39Å; S132-K216 WeakPolarHBondContact O-CE 3.5Å; S132-K216 PolarHBondContact O-NZ 3.42Å; S132-K216 VanDerWaalsContact O-NZ 3.12Å; R213-K216 HydrophobicContact CB-CB 4.31Å; R213-K216 PolarHBondContact O-N 3.44Å; R213-K216 VanDerWaalsContact O-N 3.08Å; R214-K216 PolarHBondContact O-N 2.93Å; K216-L219 PolarHBondContact O-N 3.08Å; K216-L220 PolarHBondContact O-N 3.22Å |
| 217 | L | 94.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 178.5 | -168.8 | 61.8 | 0 | 0 | 0 | 112.1 | L155 W186 W212 R213 R214 L219 L220 F221 F231 | L155-L217 HydrophobicContact CB-CD2 3.99Å; L155-L217 HydrophobicContact CD2-CD2 3.55Å; L155-L217 HydrophobicContact CG-CD2 4.43Å; W186-L217 HydrophobicContact CH2-CB 4.21Å; W186-L217 HydrophobicContact CH2-CD2 3.84Å; W186-L217 HydrophobicContact CH2-CG 4.44Å; W186-L217 HydrophobicContact CZ2-CD2 3.94Å; W212-L217 HydrophobicContact CB-CB 4.15Å; W212-L217 HydrophobicContact CB-CD1 4.13Å; W212-L217 HydrophobicContact CB-CD2 3.95Å; W212-L217 HydrophobicContact CB-CG 4.3Å; W212-L217 HydrophobicContact CG-CD1 4.04Å; W212-L217 HydrophobicContact CG-CD2 4.43Å; R213-L217 PolarHBondContact O-N 3.27Å; R214-L217 PolarHBondContact O-N 2.8Å; L217-L219 VanDerWaalsContact C-N 3.32Å; L217-L219 PolarHBondContact O-N 3.47Å; L217-L220 HydrophobicContact CD1-CD2 4.21Å; L217-L220 WeakPolarHBondContact O-CB 3.23Å; L217-L220 PolarHBondContact O-N 2.87Å; L217-L220 VanDerWaalsContact O-N 3.17Å; L217-F221 HydrophobicContact CD1-CD1 4.43Å; L217-F221 HydrophobicContact CD1-CE1 3.66Å; L217-F221 HydrophobicContact CD1-CZ 3.81Å; L217-F221 HydrophobicContact CD2-CE1 4.44Å; L217-F221 HydrophobicContact CD2-CE2 4.22Å; L217-F221 HydrophobicContact CD2-CZ 3.73Å; L217-F221 HydrophobicContact CG-CE1 3.79Å; L217-F221 HydrophobicContact CG-CE2 3.92Å; L217-F221 HydrophobicContact CG-CZ 3.46Å; L217-F221 VanDerWaalsContact CG-CZ 3.46Å; L217-F221 WeakPolarHBondContact O-CD1 3.45Å; L217-F221 VanDerWaalsContact O-CG 3.3Å; L217-F221 WeakPolarHBondContact O-CG 3.27Å; L217-F221 PolarHBondContact O-N 3.36Å; L217-F231 HydrophobicContact CD1-CE1 4.32Å; L217-F231 HydrophobicContact CD1-CE2 4.47Å; L217-F231 HydrophobicContact CD1-CZ 4.14Å; L217-F231 HydrophobicContact CD2-CD1 4.44Å; L217-F231 HydrophobicContact CD2-CE1 4.26Å |
| 218 | Y | 93.3 | Very high | 94.5 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 172.7 | -81.2 | -62 | 0 | 0 | 0 | 113 | W186 P191 R214 L220 F221 A222 | W186-Y218 HydrophobicContact CH2-CD2 4.14Å; W186-Y218 AromaticContact CH2-CE2 3.81Å; W186-Y218 HydrophobicContact CH2-CE2 3.81Å; W186-Y218 HydrophobicContact CZ2-CD2 4.27Å; W186-Y218 HydrophobicContact CZ2-CE1 4.22Å; W186-Y218 AromaticContact CZ2-CE2 3.73Å; W186-Y218 HydrophobicContact CZ2-CE2 3.73Å; W186-Y218 AromaticContact CZ2-CZ 3.69Å; P191-Y218 HydrophobicContact CB-CD1 4.34Å; P191-Y218 HydrophobicContact CB-CD2 4.18Å; P191-Y218 HydrophobicContact CB-CE1 4.04Å; P191-Y218 HydrophobicContact CB-CE2 3.83Å; P191-Y218 HydrophobicContact CB-CG 4.43Å; P191-Y218 HydrophobicContact CG-CD1 4.31Å; P191-Y218 HydrophobicContact CG-CE1 3.71Å; P191-Y218 HydrophobicContact CG-CE2 4.28Å; R214-Y218 HydrophobicContact CG-CD2 3.85Å; R214-Y218 HydrophobicContact CG-CE2 3.62Å; R214-Y218 PolarHBondContact NH2-OH 2.9Å; R214-Y218 VanDerWaalsContact O-CD2 3.28Å; R214-Y218 WeakPolarHBondContact O-CD2 3.28Å; R214-Y218 PolarHBondContact O-N 3.03Å; Y218-L220 VanDerWaalsContact C-N 3.31Å; Y218-L220 PolarHBondContact O-N 2.75Å; Y218-F221 HydrophobicContact CD1-CD2 4.06Å; Y218-F221 HydrophobicContact CE1-CD2 4.46Å; Y218-F221 PolarHBondContact O-N 3.46Å; Y218-A222 PolarHBondContact O-N 3.12Å |
| 219 | L | 93.4 | Very high | 94.5 | Very high | 105 Ų | 105 | 69.4 Ų | 69.4 | 55% | 0.55 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 173.3 | -173.4 | 67.3 | 0 | 0 | 0 | 111.2 | K215 K216 L217 F221 A222 Q223 | K215-L219 PolarHBondContact O-N 3.41Å; K215-L219 VanDerWaalsContact O-N 3.14Å; K216-L219 PolarHBondContact O-N 3.08Å; L217-L219 VanDerWaalsContact C-N 3.32Å; L217-L219 PolarHBondContact O-N 3.47Å; L219-F221 VanDerWaalsContact C-N 3.34Å; L219-F221 PolarHBondContact O-N 3.45Å; L219-A222 PolarHBondContact O-N 2.87Å; L219-Q223 WeakPolarHBondContact O-CG 3.46Å; L219-Q223 PolarHBondContact O-N 3.2Å |
| 220 | L | 93.7 | Very high | 94.5 | Very high | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 174.8 | -176.3 | 70.4 | 0 | 0 | 0 | 111.8 | T128 I129 K216 L217 Y218 A222 Q223 H224 I227 | T128-L220 HydrophobicContact CG2-CD1 3.65Å; I129-L220 HydrophobicContact CG1-CD2 4.45Å; K216-L220 PolarHBondContact O-N 3.22Å; L217-L220 HydrophobicContact CD1-CD2 4.21Å; L217-L220 WeakPolarHBondContact O-CB 3.23Å; L217-L220 PolarHBondContact O-N 2.87Å; L217-L220 VanDerWaalsContact O-N 3.17Å; Y218-L220 VanDerWaalsContact C-N 3.31Å; Y218-L220 PolarHBondContact O-N 2.75Å; L220-A222 VanDerWaalsContact C-N 3.35Å; L220-Q223 PolarHBondContact O-N 3.49Å; L220-H224 PolarHBondContact O-N 3.35Å; L220-I227 HydrophobicContact CD1-CD1 4.14Å; L220-I227 HydrophobicContact CD2-CD1 4.29Å; L220-I227 HydrophobicContact CD2-CG2 3.97Å; L220-I227 HydrophobicContact CG-CD1 4.21Å; L220-I227 HydrophobicContact CG-CG2 4.3Å |
| 221 | F | 95.3 | Very high | 94.5 | Very high | 26 Ų | 26 | 69.5 Ų | 69.5 | 11% | 0.114 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 176.2 | -65.6 | -12.6 | 0 | 0 | 0 | 112.4 | W186 L217 Y218 L219 Q223 H224 I227 F231 | W186-F221 HydrophobicContact CZ2-CE2 4.32Å; L217-F221 HydrophobicContact CD1-CD1 4.43Å; L217-F221 HydrophobicContact CD1-CE1 3.66Å; L217-F221 HydrophobicContact CD1-CZ 3.81Å; L217-F221 HydrophobicContact CD2-CE1 4.44Å; L217-F221 HydrophobicContact CD2-CE2 4.22Å; L217-F221 HydrophobicContact CD2-CZ 3.73Å; L217-F221 HydrophobicContact CG-CE1 3.79Å; L217-F221 HydrophobicContact CG-CE2 3.92Å; L217-F221 HydrophobicContact CG-CZ 3.46Å; L217-F221 VanDerWaalsContact CG-CZ 3.46Å; L217-F221 WeakPolarHBondContact O-CD1 3.45Å; L217-F221 VanDerWaalsContact O-CG 3.3Å; L217-F221 WeakPolarHBondContact O-CG 3.27Å; L217-F221 PolarHBondContact O-N 3.36Å; Y218-F221 HydrophobicContact CD1-CD2 4.06Å; Y218-F221 HydrophobicContact CE1-CD2 4.46Å; Y218-F221 PolarHBondContact O-N 3.46Å; L219-F221 VanDerWaalsContact C-N 3.34Å; L219-F221 PolarHBondContact O-N 3.45Å; F221-Q223 VanDerWaalsContact C-N 3.32Å; F221-H224 CarbonylContact O-C 3.55Å; F221-H224 PolarHBondContact O-N 3.11Å; F221-I227 HydrophobicContact CD1-CG2 4.11Å; F221-I227 HydrophobicContact CE1-CG2 4.07Å; F221-F231 HydrophobicContact CE1-CB 3.74Å; F221-F231 HydrophobicContact CE1-CD1 4.27Å; F221-F231 AromaticContact CE1-CD2 3.56Å; F221-F231 HydrophobicContact CE1-CD2 3.56Å; F221-F231 HydrophobicContact CE1-CE2 4.18Å; F221-F231 AromaticContact CE1-CG 3.59Å; F221-F231 HydrophobicContact CE1-CG 3.59Å; F221-F231 HydrophobicContact CE2-CB 4.39Å; F221-F231 HydrophobicContact CZ-CB 3.44Å; F221-F231 VanDerWaalsContact CZ-CB 3.44Å; F221-F231 AromaticContact CZ-CD1 3.88Å; F221-F231 HydrophobicContact CZ-CD1 3.88Å; F221-F231 AromaticContact CZ-CD2 3.98Å; F221-F231 HydrophobicContact CZ-CD2 3.98Å; F221-F231 AromaticContact CZ-CG 3.5Å; F221-F231 HydrophobicContact CZ-CG 3.5Å; F221-F231 VanDerWaalsContact CZ-CG 3.5Å |
| 222 | A | 94.4 | Very high | 94.4 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 70% | 0.702 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.1 | -36.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y218 L219 L220 | Y218-A222 PolarHBondContact O-N 3.12Å; L219-A222 PolarHBondContact O-N 2.87Å; L220-A222 VanDerWaalsContact C-N 3.35Å |
| 223 | Q | 93.8 | Very high | 94.3 | Very high | 124 Ų | 124 | 77.9 Ų | 77.9 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -75.4 | -34.7 | 177.2 | -70.7 | 174.9 | -8.7 | 0 | 0 | 112.8 | L219 L220 F221 | L219-Q223 WeakPolarHBondContact O-CG 3.46Å; L219-Q223 PolarHBondContact O-N 3.2Å; L220-Q223 PolarHBondContact O-N 3.49Å; F221-Q223 VanDerWaalsContact C-N 3.32Å |
| 224 | H | 93.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 71.1 Ų | 71.1 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | trans | -131.9 | 95.1 | -172.5 | -59.1 | -75.4 | 0 | 0 | 0 | 112.3 | L220 F221 Y226 I227 S228 | L220-H224 PolarHBondContact O-N 3.35Å; F221-H224 CarbonylContact O-C 3.55Å; F221-H224 PolarHBondContact O-N 3.11Å; H224-Y226 PolarHBondContact O-N 3.36Å; H224-Y226 VanDerWaalsContact O-N 3.14Å; H224-I227 HydrophobicContact CB-CB 3.99Å; H224-I227 HydrophobicContact CB-CD1 3.72Å; H224-I227 HydrophobicContact CB-CG1 3.82Å; H224-I227 PolarHBondContact O-N 3.46Å; H224-S228 PolarHBondContact O-N 3.36Å | ||
| 225 | R | 94.7 | Very high | 94.5 | Very high | 183 Ų | 183 | 70.7 Ų | 70.7 | 69% | 0.691 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -55.2 | -34.1 | 177.1 | -170.5 | 176.6 | -172.2 | -179.7 | 2.6 | 113.4 | R229 | R225-R229 VanDerWaalsContact CZ-NH2 3.28Å; R225-R229 WeakPolarHBondContact O-CG 3.04Å; R225-R229 PolarHBondContact O-N 2.94Å; R225-R229 VanDerWaalsContact O-N 3.1Å |
| 226 | Y | 94.3 | Very high | 94.6 | Very high | 120 Ų | 120 | 63.7 Ų | 63.7 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 176.9 | -179.5 | -101 | 0 | 0 | 0 | 112.1 | I121 V125 H224 S228 R229 L230 | I121-Y226 HydrophobicContact CD1-CE1 4.19Å; I121-Y226 WeakPolarHBondContact CD1-OH 3.48Å; V125-Y226 HydrophobicContact CG1-CD1 3.92Å; V125-Y226 HydrophobicContact CG1-CE1 3.96Å; V125-Y226 HydrophobicContact CG2-CD1 4.44Å; V125-Y226 HydrophobicContact CG2-CE1 4.33Å; H224-Y226 PolarHBondContact O-N 3.36Å; H224-Y226 VanDerWaalsContact O-N 3.14Å; Y226-S228 VanDerWaalsContact C-N 3.33Å; Y226-S228 PolarHBondContact O-N 3.25Å; Y226-R229 PolarHBondContact O-N 3.45Å; Y226-L230 PolarHBondContact O-N 3.37Å |
| 227 | I | 94.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 177.6 | -62.5 | 178.3 | 0 | 0 | 0 | 110.2 | V125 T128 I129 L220 F221 H224 R229 L230 F231 | V125-I227 HydrophobicContact CG1-CD1 4.08Å; V125-I227 HydrophobicContact CG1-CG1 3.68Å; T128-I227 HydrophobicContact CG2-CD1 4.24Å; I129-I227 HydrophobicContact CD1-CG1 4.44Å; I129-I227 HydrophobicContact CD1-CG2 4.07Å; I129-I227 HydrophobicContact CG1-CD1 4.04Å; I129-I227 HydrophobicContact CG1-CG1 4.36Å; I129-I227 HydrophobicContact CG1-CG2 3.88Å; L220-I227 HydrophobicContact CD1-CD1 4.14Å; L220-I227 HydrophobicContact CD2-CD1 4.29Å; L220-I227 HydrophobicContact CD2-CG2 3.97Å; L220-I227 HydrophobicContact CG-CD1 4.21Å; L220-I227 HydrophobicContact CG-CG2 4.3Å; F221-I227 HydrophobicContact CD1-CG2 4.11Å; F221-I227 HydrophobicContact CE1-CG2 4.07Å; H224-I227 HydrophobicContact CB-CB 3.99Å; H224-I227 HydrophobicContact CB-CD1 3.72Å; H224-I227 HydrophobicContact CB-CG1 3.82Å; H224-I227 PolarHBondContact O-N 3.46Å; I227-R229 PolarHBondContact O-N 2.85Å; I227-L230 WeakPolarHBondContact O-CB 3.39Å; I227-L230 PolarHBondContact O-N 3.3Å; I227-F231 HydrophobicContact CG2-CD2 3.76Å; I227-F231 HydrophobicContact CG2-CE2 3.86Å; I227-F231 WeakPolarHBondContact O-CD2 3.41Å; I227-F231 PolarHBondContact O-N 3.49Å |
| 228 | S | 95.4 | Very high | 94.7 | Very high | 37 Ų | 37 | 62.3 Ų | 62.3 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.6 | -50 | 175.7 | 176 | 0 | 0 | 0 | 0 | 112.1 | H224 Y226 L230 F231 S232 | H224-S228 PolarHBondContact O-N 3.36Å; Y226-S228 VanDerWaalsContact C-N 3.33Å; Y226-S228 PolarHBondContact O-N 3.25Å; S228-L230 VanDerWaalsContact C-N 3.35Å; S228-L230 PolarHBondContact O-N 2.79Å; S228-F231 PolarHBondContact O-N 3.37Å; S228-S232 PolarHBondContact O-N 2.96Å; S228-S232 PolarHBondContact O-OG 3.28Å |
| 229 | R | 95.8 | Very high | 94.8 | Very high | 145 Ų | 145 | 60.8 Ų | 60.8 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.5 | -73.1 | 178.6 | 177.5 | 168.9 | -2.9 | 112.6 | R225 Y226 I227 S232 V233 | R225-R229 VanDerWaalsContact CZ-NH2 3.28Å; R225-R229 WeakPolarHBondContact O-CG 3.04Å; R225-R229 PolarHBondContact O-N 2.94Å; R225-R229 VanDerWaalsContact O-N 3.1Å; Y226-R229 PolarHBondContact O-N 3.45Å; I227-R229 PolarHBondContact O-N 2.85Å; R229-S232 PolarHBondContact O-N 2.94Å; R229-V233 WeakPolarHBondContact O-CG2 3.46Å; R229-V233 PolarHBondContact O-N 3.46Å; R229-V233 VanDerWaalsContact O-N 3.08Å |
| 230 | L | 95.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 57.5 Ų | 57.5 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58 | -49.2 | 176.9 | 173.7 | 60.1 | 0 | 0 | 0 | 111.3 | F116 L119 I121 I129 Y226 I227 S228 S232 V233 L234 | F116-L230 HydrophobicContact CD1-CD2 3.96Å; F116-L230 HydrophobicContact CE1-CD2 3.83Å; F116-L230 HydrophobicContact CE1-CG 4.48Å; L119-L230 HydrophobicContact CD1-CD1 3.89Å; I121-L230 HydrophobicContact CD1-CD1 3.71Å; I121-L230 HydrophobicContact CD1-CD2 3.86Å; I121-L230 HydrophobicContact CD1-CG 4.37Å; I121-L230 HydrophobicContact CG1-CD1 4.01Å; I121-L230 HydrophobicContact CG1-CD2 3.9Å; I121-L230 HydrophobicContact CG2-CD2 4.1Å; I129-L230 HydrophobicContact CD1-CD2 4.04Å; Y226-L230 PolarHBondContact O-N 3.37Å; I227-L230 WeakPolarHBondContact O-CB 3.39Å; I227-L230 PolarHBondContact O-N 3.3Å; S228-L230 VanDerWaalsContact C-N 3.35Å; S228-L230 PolarHBondContact O-N 2.79Å; L230-S232 PolarHBondContact O-N 3.37Å; L230-V233 PolarHBondContact O-N 2.85Å; L230-L234 HydrophobicContact CD1-CD1 4.01Å; L230-L234 HydrophobicContact CD1-CG 4.21Å; L230-L234 HydrophobicContact CG-CD1 4.01Å; L230-L234 WeakPolarHBondContact O-CG 3.39Å; L230-L234 PolarHBondContact O-N 2.89Å |
| 231 | F | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 177.7 | -89.7 | -97.3 | 0 | 0 | 0 | 112.4 | I129 L155 F180 W212 L217 F221 I227 S228 V233 L234 I235 | I129-F231 HydrophobicContact CD1-CE2 3.94Å; I129-F231 HydrophobicContact CG1-CE2 4.1Å; I129-F231 HydrophobicContact CG2-CE2 3.83Å; I129-F231 HydrophobicContact CG2-CZ 3.72Å; L155-F231 HydrophobicContact CD2-CD1 3.81Å; L155-F231 HydrophobicContact CD2-CE1 3.86Å; F180-F231 HydrophobicContact CE1-CE1 4.49Å; W212-F231 HydrophobicContact CZ2-CZ 4.33Å; L217-F231 HydrophobicContact CD1-CE1 4.32Å; L217-F231 HydrophobicContact CD1-CE2 4.47Å; L217-F231 HydrophobicContact CD1-CZ 4.14Å; L217-F231 HydrophobicContact CD2-CD1 4.44Å; L217-F231 HydrophobicContact CD2-CE1 4.26Å; F221-F231 HydrophobicContact CE1-CB 3.74Å; F221-F231 HydrophobicContact CE1-CD1 4.27Å; F221-F231 AromaticContact CE1-CD2 3.56Å; F221-F231 HydrophobicContact CE1-CD2 3.56Å; F221-F231 HydrophobicContact CE1-CE2 4.18Å; F221-F231 AromaticContact CE1-CG 3.59Å; F221-F231 HydrophobicContact CE1-CG 3.59Å; F221-F231 HydrophobicContact CE2-CB 4.39Å; F221-F231 HydrophobicContact CZ-CB 3.44Å; F221-F231 VanDerWaalsContact CZ-CB 3.44Å; F221-F231 AromaticContact CZ-CD1 3.88Å; F221-F231 HydrophobicContact CZ-CD1 3.88Å; F221-F231 AromaticContact CZ-CD2 3.98Å; F221-F231 HydrophobicContact CZ-CD2 3.98Å; F221-F231 AromaticContact CZ-CG 3.5Å; F221-F231 HydrophobicContact CZ-CG 3.5Å; F221-F231 VanDerWaalsContact CZ-CG 3.5Å; I227-F231 HydrophobicContact CG2-CD2 3.76Å; I227-F231 HydrophobicContact CG2-CE2 3.86Å; I227-F231 WeakPolarHBondContact O-CD2 3.41Å; I227-F231 PolarHBondContact O-N 3.49Å; S228-F231 PolarHBondContact O-N 3.37Å; F231-V233 VanDerWaalsContact C-N 3.3Å; F231-V233 PolarHBondContact O-N 3.34Å; F231-L234 PolarHBondContact O-N 3.41Å; F231-I235 HydrophobicContact CB-CD1 4.37Å; F231-I235 HydrophobicContact CD1-CD1 4.43Å; F231-I235 VanDerWaalsContact O-CB 3.28Å; F231-I235 WeakPolarHBondContact O-CB 3.33Å; F231-I235 WeakPolarHBondContact O-CD1 3.36Å; F231-I235 WeakPolarHBondContact O-CG1 3.48Å; F231-I235 PolarHBondContact O-N 3.3Å |
| 232 | S | 94.7 | Very high | 94.5 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 56% | 0.559 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.7 | -40.7 | 174.2 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | S228 R229 L230 G236 | S228-S232 PolarHBondContact O-N 2.96Å; S228-S232 PolarHBondContact O-OG 3.28Å; R229-S232 PolarHBondContact O-N 2.94Å; L230-S232 PolarHBondContact O-N 3.37Å; S232-G236 PolarHBondContact O-N 2.92Å |
| 233 | V | 94.8 | Very high | 94.2 | Very high | 99 Ų | 99 | 61.3 Ų | 61.3 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.5 | -45.9 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | R229 L230 F231 G236 S237 | R229-V233 WeakPolarHBondContact O-CG2 3.46Å; R229-V233 PolarHBondContact O-N 3.46Å; R229-V233 VanDerWaalsContact O-N 3.08Å; L230-V233 PolarHBondContact O-N 2.85Å; F231-V233 VanDerWaalsContact C-N 3.3Å; F231-V233 PolarHBondContact O-N 3.34Å; V233-G236 PolarHBondContact O-N 3.13Å; V233-S237 WeakPolarHBondContact O-CB 3.34Å; V233-S237 PolarHBondContact O-N 3.38Å |
| 234 | L | 95.5 | Very high | 93.8 | Very high | 18 Ų | 18 | 60.8 Ų | 60.8 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | -179.9 | -75.1 | 173.1 | 0 | 0 | 0 | 112.3 | F116 L119 F180 L230 F231 S237 D238 | F116-L234 HydrophobicContact CE1-CD1 3.94Å; F116-L234 HydrophobicContact CZ-CD1 4.09Å; L119-L234 HydrophobicContact CD1-CD2 3.63Å; L119-L234 HydrophobicContact CD1-CG 4.28Å; F180-L234 HydrophobicContact CE2-CB 3.99Å; F180-L234 HydrophobicContact CZ-CB 4.25Å; L230-L234 HydrophobicContact CD1-CD1 4.01Å; L230-L234 HydrophobicContact CD1-CG 4.21Å; L230-L234 HydrophobicContact CG-CD1 4.01Å; L230-L234 WeakPolarHBondContact O-CG 3.39Å; L230-L234 PolarHBondContact O-N 2.89Å; F231-L234 PolarHBondContact O-N 3.41Å; L234-S237 PolarHBondContact O-N 2.9Å; L234-D238 WeakPolarHBondContact O-CB 3.08Å; L234-D238 PolarHBondContact O-N 3.33Å |
| 235 | I | 96 | Very high | 93.3 | Very high | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 177.9 | -68.8 | 167 | 0 | 0 | 0 | 109.9 | L155 F180 D187 F231 S237 D238 I239 | L155-I235 HydrophobicContact CD1-CD1 4.5Å; L155-I235 HydrophobicContact CD2-CD1 3.94Å; L155-I235 HydrophobicContact CD2-CG1 4.45Å; F180-I235 HydrophobicContact CE1-CG1 4.46Å; F180-I235 HydrophobicContact CZ-CG1 4.31Å; D187-I235 HydrophobicContact CB-CG2 4.18Å; F231-I235 HydrophobicContact CB-CD1 4.37Å; F231-I235 HydrophobicContact CD1-CD1 4.43Å; F231-I235 VanDerWaalsContact O-CB 3.28Å; F231-I235 WeakPolarHBondContact O-CB 3.33Å; F231-I235 WeakPolarHBondContact O-CD1 3.36Å; F231-I235 WeakPolarHBondContact O-CG1 3.48Å; F231-I235 PolarHBondContact O-N 3.3Å; I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 2.56Å; I235-D238 PolarHBondContact O-N 2.83Å; I235-I239 HydrophobicContact CG2-CD1 3.68Å; I235-I239 HydrophobicContact CG2-CG1 4.39Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.02Å; I235-I239 PolarHBondContact O-N 3.37Å |
| 236 | G | 95.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 53.5 Ų | 53.5 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S232 V233 A240 | S232-G236 PolarHBondContact O-N 2.92Å; V233-G236 PolarHBondContact O-N 3.13Å; G236-A240 WeakPolarHBondContact O-CB 3.34Å; G236-A240 PolarHBondContact O-N 3.25Å |
| 237 | S | 94.3 | Very high | 91.9 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 174.9 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | V233 L234 I235 I239 A240 D241 | V233-S237 WeakPolarHBondContact O-CB 3.34Å; V233-S237 PolarHBondContact O-N 3.38Å; L234-S237 PolarHBondContact O-N 2.9Å; I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 2.56Å; S237-I239 PolarHBondContact O-N 3.35Å; S237-A240 PolarHBondContact O-N 2.81Å; S237-D241 PolarHBondContact O-N 2.8Å |
| 238 | D | 95.6 | Very high | 91 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | -178.9 | -178 | 96.1 | 0 | 0 | 0 | 112.4 | Q179 F180 S183 L234 I235 D241 K242 | Q179-D238 VanDerWaalsContact CA-OD1 3.27Å; Q179-D238 WeakPolarHBondContact CA-OD1 3.41Å; Q179-D238 WeakPolarHBondContact CB-OD1 3.39Å; F180-D238 HydrophobicContact CD2-CB 3.86Å; F180-D238 PolarHBondContact N-OD1 3.3Å; S183-D238 PolarHBondContact OG-OD2 3.38Å; L234-D238 WeakPolarHBondContact O-CB 3.08Å; L234-D238 PolarHBondContact O-N 3.33Å; I235-D238 PolarHBondContact O-N 2.83Å; D238-D241 PolarHBondContact O-N 3.27Å; D238-K242 WeakPolarHBondContact O-CB 3.1Å; D238-K242 WeakPolarHBondContact O-CG 3.14Å; D238-K242 PolarHBondContact O-N 2.85Å; D238-K242 WeakPolarHBondContact OD2-CD 3.44Å; D238-K242 WeakPolarHBondContact OD2-CE 3.22Å; D238-K242 IonicContact OD2-NZ 3.24Å; D238-K242 PolarHBondContact OD2-NZ 3.32Å |
| 239 | I | 94.3 | Very high | 89.8 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 173.6 | -67.9 | 169 | 0 | 0 | 0 | 110.5 | P184 D187 I235 S237 D241 K242 L243 | P184-I239 HydrophobicContact CG-CG1 4.43Å; D187-I239 HydrophobicContact CB-CD1 3.65Å; I235-I239 HydrophobicContact CG2-CD1 3.68Å; I235-I239 HydrophobicContact CG2-CG1 4.39Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.02Å; I235-I239 PolarHBondContact O-N 3.37Å; S237-I239 PolarHBondContact O-N 3.35Å; I239-D241 PolarHBondContact O-N 3.43Å; I239-K242 PolarHBondContact O-N 2.93Å; I239-L243 HydrophobicContact CG2-CD1 3.94Å; I239-L243 HydrophobicContact CG2-CG 4.3Å; I239-L243 WeakPolarHBondContact O-CB 3.32Å; I239-L243 VanDerWaalsContact O-CG 3.3Å; I239-L243 WeakPolarHBondContact O-CG 3.46Å; I239-L243 PolarHBondContact O-N 3.15Å |
| 240 | A | 93.1 | Very high | 88.5 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 30% | 0.298 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G236 S237 K242 L243 Y244 | G236-A240 WeakPolarHBondContact O-CB 3.34Å; G236-A240 PolarHBondContact O-N 3.25Å; S237-A240 PolarHBondContact O-N 2.81Å; A240-K242 VanDerWaalsContact C-N 3.33Å; A240-K242 PolarHBondContact O-N 2.85Å; A240-L243 PolarHBondContact O-N 3.23Å; A240-L243 VanDerWaalsContact O-N 3.16Å; A240-Y244 HydrophobicContact CB-CE2 4.47Å; A240-Y244 WeakPolarHBondContact O-CD2 3.47Å; A240-Y244 PolarHBondContact O-N 2.98Å |
| 241 | D | 91.4 | Very high | 86.9 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 178.2 | -70 | -21.5 | 0 | 0 | 0 | 111.9 | S237 D238 I239 Y244 A245 | S237-D241 PolarHBondContact O-N 2.8Å; D238-D241 PolarHBondContact O-N 3.27Å; I239-D241 PolarHBondContact O-N 3.43Å; D241-Y244 PolarHBondContact O-N 3.32Å; D241-A245 WeakPolarHBondContact O-CB 3.43Å; D241-A245 PolarHBondContact O-N 3.32Å |
| 242 | K | 91.6 | Very high | 85.2 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 174.8 | -75.1 | 169.8 | 175.8 | 168.9 | 0 | 112.4 | F180 S183 P184 D238 I239 A240 A245 L246 | F180-K242 WeakPolarHBondContact O-CE 3.31Å; F180-K242 PolarHBondContact O-NZ 2.89Å; S183-K242 PolarHBondContact OG-NZ 2.84Å; P184-K242 HydrophobicContact CG-CD 4.2Å; D238-K242 WeakPolarHBondContact O-CB 3.1Å; D238-K242 WeakPolarHBondContact O-CG 3.14Å; D238-K242 PolarHBondContact O-N 2.85Å; D238-K242 WeakPolarHBondContact OD2-CD 3.44Å; D238-K242 WeakPolarHBondContact OD2-CE 3.22Å; D238-K242 IonicContact OD2-NZ 3.24Å; D238-K242 PolarHBondContact OD2-NZ 3.32Å; I239-K242 PolarHBondContact O-N 2.93Å; A240-K242 VanDerWaalsContact C-N 3.33Å; A240-K242 PolarHBondContact O-N 2.85Å; K242-A245 PolarHBondContact O-N 2.91Å; K242-L246 WeakPolarHBondContact O-CB 3.35Å; K242-L246 VanDerWaalsContact O-CG 3.31Å; K242-L246 WeakPolarHBondContact O-CG 3.34Å; K242-L246 PolarHBondContact O-N 3.4Å |
| 243 | L | 87.9 | Confident | 83.7 | Confident | 99 Ų | 99 | 62.6 Ų | 62.6 | 52% | 0.518 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.8 | -72.9 | 173.6 | 0 | 0 | 0 | 111.6 | I239 A240 L246 N247 | I239-L243 HydrophobicContact CG2-CD1 3.94Å; I239-L243 HydrophobicContact CG2-CG 4.3Å; I239-L243 WeakPolarHBondContact O-CB 3.32Å; I239-L243 VanDerWaalsContact O-CG 3.3Å; I239-L243 WeakPolarHBondContact O-CG 3.46Å; I239-L243 PolarHBondContact O-N 3.15Å; A240-L243 PolarHBondContact O-N 3.23Å; A240-L243 VanDerWaalsContact O-N 3.16Å; L243-L246 PolarHBondContact O-N 2.98Å; L243-N247 VanDerWaalsContact O-CB 3.3Å; L243-N247 WeakPolarHBondContact O-CB 3.47Å; L243-N247 PolarHBondContact O-N 3.49Å |
| 244 | Y | 85.4 | Confident | 82.1 | Confident | 113 Ų | 113 | 63.9 Ų | 63.9 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 173.7 | -76.1 | -66.3 | 0 | 0 | 0 | 111.6 | A240 D241 L246 N247 D248 I260 | A240-Y244 HydrophobicContact CB-CE2 4.47Å; A240-Y244 WeakPolarHBondContact O-CD2 3.47Å; A240-Y244 PolarHBondContact O-N 2.98Å; D241-Y244 PolarHBondContact O-N 3.32Å; Y244-L246 VanDerWaalsContact C-N 3.31Å; Y244-L246 PolarHBondContact O-N 3Å; Y244-N247 WeakPolarHBondContact O-CB 3.32Å; Y244-N247 PolarHBondContact O-N 2.9Å; Y244-N247 VanDerWaalsContact O-N 3.16Å; Y244-D248 PolarHBondContact O-N 3.31Å; Y244-I260 HydrophobicContact CE1-CD1 3.96Å; Y244-I260 HydrophobicContact CE1-CG1 4.39Å; Y244-I260 HydrophobicContact CE2-CD1 4.35Å; Y244-I260 VanDerWaalsContact OH-CD1 3.29Å; Y244-I260 WeakPolarHBondContact OH-CD1 3.27Å |
| 245 | A | 83.4 | Confident | 80.4 | Confident | 44 Ų | 44 | 72.4 Ų | 72.4 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D241 K242 R249 | D241-A245 WeakPolarHBondContact O-CB 3.43Å; D241-A245 PolarHBondContact O-N 3.32Å; K242-A245 PolarHBondContact O-N 2.91Å; A245-R249 WeakPolarHBondContact O-CG 3.12Å |
| 246 | L | 81.1 | Confident | 78.8 | Confident | 64 Ų | 64 | 78 Ų | 78 | 34% | 0.335 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.1 | -43.8 | 173 | -74.1 | 172.1 | 0 | 0 | 0 | 111 | K242 L243 Y244 D248 R249 V250 | K242-L246 WeakPolarHBondContact O-CB 3.35Å; K242-L246 VanDerWaalsContact O-CG 3.31Å; K242-L246 WeakPolarHBondContact O-CG 3.34Å; K242-L246 PolarHBondContact O-N 3.4Å; L243-L246 PolarHBondContact O-N 2.98Å; Y244-L246 VanDerWaalsContact C-N 3.31Å; Y244-L246 PolarHBondContact O-N 3Å; L246-D248 VanDerWaalsContact C-N 3.32Å; L246-D248 PolarHBondContact O-N 3.34Å; L246-R249 WeakPolarHBondContact O-CB 3.36Å; L246-R249 PolarHBondContact O-N 2.92Å; L246-V250 WeakPolarHBondContact O-CG2 3.43Å; L246-V250 PolarHBondContact O-N 2.92Å |
| 247 | N | 79.6 | Confident | 77.3 | Confident | 15 Ų | 15 | 81.7 Ų | 81.7 | 8% | 0.08 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -56.9 | -45 | 178.3 | -178 | 29 | 0 | 0 | 0 | 112.5 | L243 Y244 R249 V250 Y251 Y258 | L243-N247 VanDerWaalsContact O-CB 3.3Å; L243-N247 WeakPolarHBondContact O-CB 3.47Å; L243-N247 PolarHBondContact O-N 3.49Å; Y244-N247 WeakPolarHBondContact O-CB 3.32Å; Y244-N247 PolarHBondContact O-N 2.9Å; Y244-N247 VanDerWaalsContact O-N 3.16Å; N247-R249 PolarHBondContact O-N 3.33Å; N247-V250 PolarHBondContact O-N 3.49Å; N247-V250 VanDerWaalsContact O-N 3.11Å; N247-Y251 PolarHBondContact O-N 3.47Å; N247-Y258 PolarHBondContact ND2-O 2.06Å; N247-Y258 WeakPolarHBondContact OD1-CB 3.48Å; N247-Y258 WeakPolarHBondContact OD1-CD2 3.3Å; N247-Y258 PolarHBondContact OD1-N 2.86Å |
| 248 | D | 75.1 | Confident | 75.9 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.2 | -30.9 | 176.6 | -69.7 | -15.4 | 0 | 0 | 0 | 112.4 | Y244 L246 Y251 I252 H257 | Y244-D248 PolarHBondContact O-N 3.31Å; L246-D248 VanDerWaalsContact C-N 3.32Å; L246-D248 PolarHBondContact O-N 3.34Å; D248-Y251 WeakPolarHBondContact O-CB 3.23Å; D248-I252 WeakPolarHBondContact O-CG1 3.39Å; D248-I252 PolarHBondContact O-N 2.9Å; D248-H257 IonicContact OD1-NE2 3.91Å |
| 249 | R | 70.8 | Confident | 74.6 | Confident | 105 Ų | 105 | 82.9 Ų | 82.9 | 40% | 0.396 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -78.1 | -37.8 | 176.2 | -66.6 | 178.7 | -174.7 | -134.5 | -4.6 | 112.5 | F171 L172 A245 L246 N247 Y251 I252 G253 | F171-R249 VanDerWaalsContact CE1-NH1 3.26Å; L172-R249 PolarHBondContact O-NH1 3.45Å; A245-R249 WeakPolarHBondContact O-CG 3.12Å; L246-R249 WeakPolarHBondContact O-CB 3.36Å; L246-R249 PolarHBondContact O-N 2.92Å; N247-R249 PolarHBondContact O-N 3.33Å; R249-Y251 PolarHBondContact O-N 3.31Å; R249-I252 PolarHBondContact O-N 3.38Å; R249-I252 VanDerWaalsContact O-N 3.13Å; R249-G253 PolarHBondContact O-N 3.44Å |
| 250 | V | 68.5 | Low | 73.7 | Confident | 62 Ų | 62 | 85.7 Ų | 85.7 | 38% | 0.376 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -33.2 | 174 | -164.1 | 0 | 0 | 0 | 0 | 110 | L246 N247 I252 G253 K254 Y258 | L246-V250 WeakPolarHBondContact O-CG2 3.43Å; L246-V250 PolarHBondContact O-N 2.92Å; N247-V250 PolarHBondContact O-N 3.49Å; N247-V250 VanDerWaalsContact O-N 3.11Å; V250-I252 VanDerWaalsContact C-N 3.32Å; V250-I252 PolarHBondContact O-N 3.24Å; V250-G253 CarbonylContact O-C 3.3Å; V250-G253 PolarHBondContact O-N 2.93Å; V250-G253 VanDerWaalsContact O-N 3.14Å; V250-K254 HydrophobicContact CG1-CD 4.25Å; V250-K254 PolarHBondContact O-N 2.95Å; V250-Y258 HydrophobicContact CB-CD2 4.11Å; V250-Y258 HydrophobicContact CB-CE2 3.65Å; V250-Y258 HydrophobicContact CG1-CD2 4.19Å; V250-Y258 HydrophobicContact CG1-CE2 3.28Å |
| 251 | Y | 61.7 | Low | 72.9 | Confident | 115 Ų | 115 | 93.5 Ų | 93.5 | 45% | 0.451 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 172.2 | 178.4 | -111.5 | 0 | 0 | 0 | 113.5 | N247 D248 R249 G253 K254 H256 H257 | N247-Y251 PolarHBondContact O-N 3.47Å; D248-Y251 WeakPolarHBondContact O-CB 3.23Å; R249-Y251 PolarHBondContact O-N 3.31Å; Y251-G253 VanDerWaalsContact C-N 3.28Å; Y251-G253 PolarHBondContact O-N 2.93Å; Y251-K254 CarbonylContact C-O 3.49Å; Y251-K254 VanDerWaalsContact C-O 3.3Å; Y251-K254 VanDerWaalsContact CA-O 3.24Å; Y251-K254 WeakPolarHBondContact CA-O 3.47Å; Y251-K254 CarbonylContact O-C 3.59Å; Y251-K254 VanDerWaalsContact O-C 3.24Å; Y251-K254 PolarHBondContact O-N 2.88Å; Y251-H256 VanDerWaalsContact CD2-C 3.42Å; Y251-H257 HydrophobicContact CD2-CB 3.86Å; Y251-H257 VanDerWaalsContact CD2-N 3.27Å; Y251-H257 HydrophobicContact CE2-CB 4.05Å; Y251-H257 HydrophobicContact CG-CB 4.49Å |
| 252 | I | 60.2 | Low | 71.9 | Confident | 146 Ų | 146 | 93.4 Ų | 93.4 | 75% | 0.749 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.3 | -35.2 | 176.3 | -63.9 | 167.4 | 0 | 0 | 0 | 110.6 | D248 R249 V250 | D248-I252 WeakPolarHBondContact O-CG1 3.39Å; D248-I252 PolarHBondContact O-N 2.9Å; R249-I252 PolarHBondContact O-N 3.38Å; R249-I252 VanDerWaalsContact O-N 3.13Å; V250-I252 VanDerWaalsContact C-N 3.32Å; V250-I252 PolarHBondContact O-N 3.24Å |
| 253 | G | 62.1 | Low | 70.5 | Confident | 69 Ų | 69 | 96.8 Ų | 96.8 | 71% | 0.711 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -80.2 | -27.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R249 V250 Y251 | R249-G253 PolarHBondContact O-N 3.44Å; V250-G253 CarbonylContact O-C 3.3Å; V250-G253 PolarHBondContact O-N 2.93Å; V250-G253 VanDerWaalsContact O-N 3.14Å; Y251-G253 VanDerWaalsContact C-N 3.28Å; Y251-G253 PolarHBondContact O-N 2.93Å |
| 254 | K | 60.7 | Low | 69.2 | Low | 126 Ų | 126 | 97.6 Ų | 97.6 | 55% | 0.548 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -138.7 | 122.3 | -176.3 | -65.7 | 177.1 | 178.8 | 177 | 0 | 108 | V250 Y251 H256 Y258 | V250-K254 HydrophobicContact CG1-CD 4.25Å; V250-K254 PolarHBondContact O-N 2.95Å; Y251-K254 CarbonylContact C-O 3.49Å; Y251-K254 VanDerWaalsContact C-O 3.3Å; Y251-K254 VanDerWaalsContact CA-O 3.24Å; Y251-K254 WeakPolarHBondContact CA-O 3.47Å; Y251-K254 CarbonylContact O-C 3.59Å; Y251-K254 VanDerWaalsContact O-C 3.24Å; Y251-K254 PolarHBondContact O-N 2.88Å; K254-H256 PolarHBondContact O-N 3.41Å; K254-Y258 WeakPolarHBondContact CD-OH 3.29Å |
| 255 | K | 61 | Low | 67.8 | Low | 196 Ų | 196 | 99.8 Ų | 99.8 | 85% | 0.852 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -55.7 | 12.4 | -177.8 | -73.6 | -176.1 | 175 | 179.8 | 0 | 117.1 | ||
| 256 | H | 61.9 | Low | 66.2 | Low | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | trans | -112.5 | 116.4 | 180 | -69.9 | 82.1 | 0 | 0 | 0 | 109.9 | Y251 K254 Y258 | Y251-H256 VanDerWaalsContact CD2-C 3.42Å; K254-H256 PolarHBondContact O-N 3.41Å; H256-Y258 WeakPolarHBondContact O-CE2 3.43Å; H256-Y258 PolarHBondContact O-N 2.84Å | ||
| 257 | H | 62.9 | Low | 64.9 | Low | 114 Ų | 114 | 106.8 Ų | 106.8 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | trans | -74.4 | 117 | 171.8 | -174.1 | -77.5 | 0 | 0 | 0 | 106.9 | D248 Y251 D259 | D248-H257 IonicContact OD1-NE2 3.91Å; Y251-H257 HydrophobicContact CD2-CB 3.86Å; Y251-H257 VanDerWaalsContact CD2-N 3.27Å; Y251-H257 HydrophobicContact CE2-CB 4.05Å; Y251-H257 HydrophobicContact CG-CB 4.49Å; H257-D259 PolarHBondContact O-N 2.89Å | ||
| 258 | Y | 66.5 | Low | 63.5 | Low | 54 Ų | 54 | 113 Ų | 113 | 21% | 0.212 | 54% | 0.544 | C | S | . | . | trans | -75.4 | 125.2 | -179.1 | -54.9 | -86 | 0 | 0 | 0 | 109 | N247 V250 K254 H256 Y266 | N247-Y258 PolarHBondContact ND2-O 2.06Å; N247-Y258 WeakPolarHBondContact OD1-CB 3.48Å; N247-Y258 WeakPolarHBondContact OD1-CD2 3.3Å; N247-Y258 PolarHBondContact OD1-N 2.86Å; V250-Y258 HydrophobicContact CB-CD2 4.11Å; V250-Y258 HydrophobicContact CB-CE2 3.65Å; V250-Y258 HydrophobicContact CG1-CD2 4.19Å; V250-Y258 HydrophobicContact CG1-CE2 3.28Å; K254-Y258 WeakPolarHBondContact CD-OH 3.29Å; H256-Y258 WeakPolarHBondContact O-CE2 3.43Å; H256-Y258 PolarHBondContact O-N 2.84Å; Y258-Y266 WeakPolarHBondContact CB-OH 3.27Å; Y258-Y266 HydrophobicContact CD1-CD1 4.05Å; Y258-Y266 AromaticContact CD1-CE1 3.25Å; Y258-Y266 HydrophobicContact CD1-CE1 3.25Å; Y258-Y266 AromaticContact CD1-CZ 3.89Å; Y258-Y266 HydrophobicContact CE1-CD1 4.24Å; Y258-Y266 AromaticContact CE1-CE1 3.83Å; Y258-Y266 HydrophobicContact CE1-CE1 3.83Å; Y258-Y266 HydrophobicContact CG-CE1 4.16Å | ||
| 259 | D | 68.1 | Low | 62.4 | Low | 45 Ų | 45 | 112.3 Ų | 112.3 | 24% | 0.241 | 55% | 0.545 | C | S | . | . | trans | -92.7 | 115.3 | 168.8 | -167.2 | -29.6 | 0 | 0 | 0 | 107.5 | H257 R261 L262 Y266 | H257-D259 PolarHBondContact O-N 2.89Å; D259-R261 PolarHBondContact O-N 2.66Å; D259-R261 VanDerWaalsContact O-N 3.11Å; D259-R261 WeakPolarHBondContact OD1-CB 3.33Å; D259-R261 WeakPolarHBondContact OD1-CG 3.43Å; D259-R261 IonicContact OD1-CZ 2.76Å; D259-R261 PolarHBondContact OD1-N 3Å; D259-R261 IonicContact OD1-NE 3.94Å; D259-R261 PolarHBondContact OD1-NE 3.28Å; D259-R261 IonicContact OD1-NH2 2.65Å; D259-R261 IonicContact OD2-CZ 3.57Å; D259-R261 IonicContact OD2-NE 3.42Å; D259-R261 PolarHBondContact OD2-NE 3.38Å; D259-R261 IonicContact OD2-NH2 3.82Å; D259-R261 PolarHBondContact OD2-NH2 2.95Å; D259-L262 HydrophobicContact CB-CB 4.32Å; D259-L262 HydrophobicContact CB-CD1 4.04Å; D259-L262 HydrophobicContact CB-CG 4.24Å; D259-L262 PolarHBondContact O-N 3.31Å; D259-Y266 PolarHBondContact O-OH 3.34Å | ||
| 260 | I | 74.7 | Confident | 61.2 | Low | 89 Ų | 89 | 111 Ų | 111 | 46% | 0.456 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -19.2 | 178.2 | 62.6 | 168.7 | 0 | 0 | 0 | 112.3 | Y244 L262 | Y244-I260 HydrophobicContact CE1-CD1 3.96Å; Y244-I260 HydrophobicContact CE1-CG1 4.39Å; Y244-I260 HydrophobicContact CE2-CD1 4.35Å; Y244-I260 VanDerWaalsContact OH-CD1 3.29Å; Y244-I260 WeakPolarHBondContact OH-CD1 3.27Å; I260-L262 VanDerWaalsContact C-N 3.33Å |
| 261 | R | 77.4 | Confident | 60.1 | Low | 199 Ų | 199 | 113 Ų | 113 | 75% | 0.751 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -11.6 | 176.7 | -56.3 | 174.1 | -66.2 | 178.3 | 1.7 | 113.4 | D259 P263 | D259-R261 PolarHBondContact O-N 2.66Å; D259-R261 VanDerWaalsContact O-N 3.11Å; D259-R261 WeakPolarHBondContact OD1-CB 3.33Å; D259-R261 WeakPolarHBondContact OD1-CG 3.43Å; D259-R261 IonicContact OD1-CZ 2.76Å; D259-R261 PolarHBondContact OD1-N 3Å; D259-R261 IonicContact OD1-NE 3.94Å; D259-R261 PolarHBondContact OD1-NE 3.28Å; D259-R261 IonicContact OD1-NH2 2.65Å; D259-R261 IonicContact OD2-CZ 3.57Å; D259-R261 IonicContact OD2-NE 3.42Å; D259-R261 PolarHBondContact OD2-NE 3.38Å; D259-R261 IonicContact OD2-NH2 3.82Å; D259-R261 PolarHBondContact OD2-NH2 2.95Å; R261-P263 WeakPolarHBondContact O-CD 3.37Å |
| 262 | L | 69 | Low | 59.3 | Low | 83 Ų | 83 | 114.4 Ų | 114.4 | 44% | 0.435 | 58% | 0.582 | S | S | . | * | trans | -113.3 | 55.1 | -178.8 | -65.4 | 172.6 | 0 | 0 | 0 | 112 | D259 I260 N264 Y265 Y266 | D259-L262 HydrophobicContact CB-CB 4.32Å; D259-L262 HydrophobicContact CB-CD1 4.04Å; D259-L262 HydrophobicContact CB-CG 4.24Å; D259-L262 PolarHBondContact O-N 3.31Å; I260-L262 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.48Å; L262-Y265 HydrophobicContact CD1-CD2 4.18Å; L262-Y265 PolarHBondContact O-N 3.14Å; L262-Y266 VanDerWaalsContact O-CD2 3.24Å; L262-Y266 WeakPolarHBondContact O-CD2 3.23Å; L262-Y266 WeakPolarHBondContact O-CE2 3.4Å | ||
| 263 | P | 63.6 | Low | 58.5 | Low | 87 Ų | 87 | 115 Ų | 115 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -17.6 | -176.3 | 24.7 | -33.4 | 0 | 0 | 0 | 114 | R261 Y266 | R261-P263 WeakPolarHBondContact O-CD 3.37Å; P263-Y266 VanDerWaalsContact C-CD2 3.41Å; P263-Y266 WeakPolarHBondContact O-CD2 3.03Å |
| 264 | N | 59.7 | Low | 57.1 | Low | 116 Ų | 116 | 116 Ų | 116 | 62% | 0.62 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -11.5 | 177.3 | -72.9 | -8.6 | 0 | 0 | 0 | 115.1 | L262 Y266 Q267 | L262-N264 PolarHBondContact O-N 3.48Å; N264-Y266 PolarHBondContact O-N 3.06Å; N264-Y266 VanDerWaalsContact O-N 3.09Å; N264-Q267 PolarHBondContact O-N 2.91Å |
| 265 | Y | 55 | Low | 55.7 | Low | 159 Ų | 159 | 121.9 Ų | 121.9 | 62% | 0.624 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.5 | -17.5 | 177.3 | -134.8 | -94.5 | 0 | 0 | 0 | 112.6 | L262 S269 | L262-Y265 HydrophobicContact CD1-CD2 4.18Å; L262-Y265 PolarHBondContact O-N 3.14Å; Y265-S269 PolarHBondContact O-N 3.45Å; Y265-S269 PolarHBondContact O-OG 3.14Å |
| 266 | Y | 51.4 | Low | 54.4 | Low | 92 Ų | 92 | 116 Ų | 116 | 36% | 0.361 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.7 | -31.4 | -176.1 | -60.4 | -102.1 | 0 | 0 | 0 | 113.1 | Y258 D259 L262 P263 N264 L268 | Y258-Y266 WeakPolarHBondContact CB-OH 3.27Å; Y258-Y266 HydrophobicContact CD1-CD1 4.05Å; Y258-Y266 AromaticContact CD1-CE1 3.25Å; Y258-Y266 HydrophobicContact CD1-CE1 3.25Å; Y258-Y266 AromaticContact CD1-CZ 3.89Å; Y258-Y266 HydrophobicContact CE1-CD1 4.24Å; Y258-Y266 AromaticContact CE1-CE1 3.83Å; Y258-Y266 HydrophobicContact CE1-CE1 3.83Å; Y258-Y266 HydrophobicContact CG-CE1 4.16Å; D259-Y266 PolarHBondContact O-OH 3.34Å; L262-Y266 VanDerWaalsContact O-CD2 3.24Å; L262-Y266 WeakPolarHBondContact O-CD2 3.23Å; L262-Y266 WeakPolarHBondContact O-CE2 3.4Å; P263-Y266 VanDerWaalsContact C-CD2 3.41Å; P263-Y266 WeakPolarHBondContact O-CD2 3.03Å; N264-Y266 PolarHBondContact O-N 3.06Å; N264-Y266 VanDerWaalsContact O-N 3.09Å; Y266-L268 VanDerWaalsContact C-N 3.31Å |
| 267 | Q | 52.1 | Low | 53 | Low | 163 Ų | 163 | 115.1 Ų | 115.1 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.1 | -21.2 | 179.4 | -72 | -179.6 | -15.3 | 0 | 0 | 112.6 | N264 | N264-Q267 PolarHBondContact O-N 2.91Å |
| 268 | L | 51.4 | Low | 51.8 | Low | 147 Ų | 147 | 114.7 Ų | 114.7 | 77% | 0.77 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -94.1 | -20.6 | -176.5 | -77.7 | 146.8 | 0 | 0 | 0 | 113.5 | Y266 | Y266-L268 VanDerWaalsContact C-N 3.31Å |
| 269 | S | 51.4 | Low | 50.6 | Low | 67 Ų | 67 | 118.1 Ų | 118.1 | 47% | 0.469 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -95.8 | 3.5 | -176.3 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | Y265 | Y265-S269 PolarHBondContact O-N 3.45Å; Y265-S269 PolarHBondContact O-OG 3.14Å |
| 270 | S | 45.8 | Very low | 49.2 | Very low | 78 Ų | 78 | 123.6 Ų | 123.6 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | trans | -121.9 | 81.7 | 167.2 | -79.2 | 0 | 0 | 0 | 0 | 112.2 | D272 | S270-D272 VanDerWaalsContact C-N 3.28Š| ||
| 271 | P | 45.8 | Very low | 47.4 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -75.4 | -11.9 | 164.8 | -13.3 | 29.8 | 0 | 0 | 0 | 113.8 | ||
| 272 | D | 45.2 | Very low | 45.7 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | trans | -117.4 | 13 | -166.4 | -71.7 | -39.2 | 0 | 0 | 0 | 116.3 | S270 S274 | S270-D272 VanDerWaalsContact C-N 3.28Å; D272-S274 VanDerWaalsContact C-N 3.27Å; D272-S274 PolarHBondContact O-N 2.97Å | ||
| 273 | L | 43.8 | Very low | 44.4 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 82% | 0.822 | 66% | 0.663 | S | S | * | * | trans | -93.7 | 28.8 | 170.3 | -128.5 | 88.5 | 0 | 0 | 0 | 113.3 | ||||
| 274 | S | 31.7 | Very low | 43.3 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -91.4 | 110.1 | 157.6 | 56.7 | 0 | 0 | 0 | 0 | 108.5 | D272 | D272-S274 VanDerWaalsContact C-N 3.27Å; D272-S274 PolarHBondContact O-N 2.97Å |
| 275 | R | 31.4 | Very low | 42.5 | Very low | 249 Ų | 249 | 131 Ų | 131 | 94% | 0.94 | 67% | 0.672 | S | S | * | * | trans | 85.6 | 83.1 | 178.6 | -57.7 | 174.3 | 169.8 | 162.5 | -2.8 | 115.8 | ||||
| 276 | S | 34.6 | Very low | 42 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 51% | 0.51 | 68% | 0.682 | S | S | . | * | trans | -126.1 | 122.9 | 145.4 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | L278 | S276-L278 PolarHBondContact O-N 3.3Š| ||
| 277 | P | 32.1 | Very low | 41.7 | Very low | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 47.3 | -174.9 | 34.1 | -35.1 | 0 | 0 | 0 | 112.5 | ||
| 278 | L | 38.2 | Very low | 41.1 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 56% | 0.555 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -7.7 | 173.8 | -70.2 | 175.5 | 0 | 0 | 0 | 113 | S276 F282 | S276-L278 PolarHBondContact O-N 3.3Å; L278-F282 WeakPolarHBondContact O-CD2 3.39Å |
| 279 | T | 40.2 | Very low | 40.5 | Very low | 126 Ų | 126 | 138 Ų | 138 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -9 | 176.3 | -30 | 0 | 0 | 0 | 0 | 113.4 | ||
| 280 | E | 39.2 | Very low | 40 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -18.6 | 173.2 | -74.6 | -164.6 | 149 | 0 | 0 | 114 | ||
| 281 | Q | 36.8 | Very low | 39.6 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -78.2 | -26.6 | 178.4 | -127.5 | 170.7 | -22.9 | 0 | 0 | 113.1 | R283 | Q281-R283 VanDerWaalsContact C-N 3.32Å; Q281-R283 PolarHBondContact O-N 2.92Å |
| 282 | F | 41.5 | Very low | 39.3 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -82.8 | -1.6 | 177.4 | -75.5 | -77.1 | 0 | 0 | 0 | 115 | L278 | L278-F282 WeakPolarHBondContact O-CD2 3.39Å |
| 283 | R | 40.7 | Very low | 38.9 | Very low | 213 Ų | 213 | 155.6 Ų | 155.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -92.8 | -21.1 | 173.8 | -156.4 | 171.1 | -176 | 173.7 | 0.3 | 112.9 | Q281 | Q281-R283 VanDerWaalsContact C-N 3.32Å; Q281-R283 PolarHBondContact O-N 2.92Å |
| 284 | N | 40.8 | Very low | 38.7 | Very low | 137 Ų | 137 | 155.6 Ų | 155.6 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -100.8 | -10 | -179 | -77.5 | -9.7 | 0 | 0 | 0 | 115.1 | ||
| 285 | S | 43 | Very low | 39.1 | Very low | 93 Ų | 93 | 159.3 Ų | 159.3 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -91.1 | 4.3 | 178.1 | -63.2 | 0 | 0 | 0 | 0 | 115.2 | Q287 | S285-Q287 VanDerWaalsContact C-N 3.28Å; S285-Q287 PolarHBondContact O-N 3.44Å |
| 286 | R | 43.9 | Very low | 39.6 | Very low | 220 Ų | 220 | 153.7 Ų | 153.7 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 14.8 | 178.1 | -86.3 | -170.3 | -115.3 | -166.6 | -4.7 | 115.3 | ||
| 287 | Q | 46 | Very low | 39.9 | Very low | 178 Ų | 178 | 159.1 Ų | 159.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 9 | 178.1 | -86.7 | -176.1 | -19.5 | 0 | 0 | 115 | S285 | S285-Q287 VanDerWaalsContact C-N 3.28Å; S285-Q287 PolarHBondContact O-N 3.44Å |
| 288 | H | 39.2 | Very low | 40.5 | Very low | 181 Ų | 181 | 162.9 Ų | 162.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -141.2 | 62.9 | -176.9 | -108.1 | 50.7 | 0 | 0 | 0 | 113 | ||
| 289 | C | 40.2 | Very low | 40.6 | Very low | 129 Ų | 129 | 167.3 Ų | 167.3 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -168.3 | 73.2 | 154 | -119.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 290 | N | 39.6 | Very low | 40.7 | Very low | 170 Ų | 170 | 170.8 Ų | 170.8 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -136.8 | 79.5 | 167.6 | -125.1 | -1.4 | 0 | 0 | 0 | 106.1 | ||||
| 291 | K | 37.1 | Very low | 40.8 | Very low | 283 Ų | 283 | 171.7 Ų | 171.7 | 100% | 1.23 | 82% | 0.817 | S | S | * | * | trans | -155.7 | 0 | 161.3 | -94.1 | -169 | -178 | 179 | 0 | 108.1 |
Retrieved 291 of 291 residues in 126.7 ms
(Link to these results)