| 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 | 39.3 | Very low | 46.1 | Very low | 243 Ų | 243 | 154.8 Ų | 154.8 | 100% | 1.197 | 80% | 0.802 | S | S | * | * | 0 | 138.6 | 0 | -80.5 | 167.2 | 150.1 | 0 | 0 | 108.2 | |||||
| 2 | S | 37.6 | Very low | 46.2 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -60.4 | 138.7 | -140.4 | -53.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 3 | K | 39.8 | Very low | 46.3 | Very low | 202 Ų | 202 | 149.8 Ų | 149.8 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | trans | -98.6 | 113.3 | 161 | -75.8 | -174.4 | 176.3 | -177.5 | 0 | 108.1 | ||||
| 4 | D | 44.2 | Very low | 46 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.2 | 173.8 | -72.2 | -52 | 0 | 0 | 0 | 110.6 | ||
| 5 | I | 48.1 | Very low | 46.1 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 127.7 | 171.3 | -59.2 | 169.8 | 0 | 0 | 0 | 106.6 | K7 | I5-K7 PolarHBondContact O-N 2.84Š|
| 6 | P | 48.7 | Very low | 46.2 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.6 | 179.3 | -12 | 25.9 | 0 | 0 | 0 | 110.1 | L8 | P6-L8 PolarHBondContact O-N 2.64Š|
| 7 | K | 46.8 | Very low | 46.2 | Very low | 212 Ų | 212 | 143.1 Ų | 143.1 | 92% | 0.922 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 118.7 | 172 | -77.8 | 178.2 | 175.8 | 175.4 | 0 | 109.1 | I5 | I5-K7 PolarHBondContact O-N 2.84Š|
| 8 | L | 49.1 | Very low | 45.9 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 136.9 | 170 | -90.3 | 94.7 | 0 | 0 | 0 | 110.4 | P6 I17 | P6-L8 PolarHBondContact O-N 2.64Å; L8-I17 HydrophobicContact CD2-CD1 3.65Å |
| 9 | D | 54.4 | Low | 45.3 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 49% | 0.487 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 124.8 | 173.2 | -175.3 | -16.7 | 0 | 0 | 0 | 111 | F11 R12 | D9-F11 PolarHBondContact O-N 3.01Å; D9-F11 VanDerWaalsContact O-N 3.17Å; D9-F11 VanDerWaalsContact OD1-CD2 3.3Å; D9-F11 WeakPolarHBondContact OD1-CD2 3.42Å; D9-F11 PolarHBondContact OD1-N 2.88Å; D9-R12 PolarHBondContact O-N 3.03Å |
| 10 | P | 50.9 | Low | 45.2 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -5.1 | 179.5 | 28.2 | -34.4 | 0 | 0 | 0 | 114.9 | ||
| 11 | F | 48.3 | Very low | 44.8 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -6.1 | 177.9 | -62 | -71.7 | 0 | 0 | 0 | 114.7 | D9 T13 | D9-F11 PolarHBondContact O-N 3.01Å; D9-F11 VanDerWaalsContact O-N 3.17Å; D9-F11 VanDerWaalsContact OD1-CD2 3.3Å; D9-F11 WeakPolarHBondContact OD1-CD2 3.42Å; D9-F11 PolarHBondContact OD1-N 2.88Å; F11-T13 PolarHBondContact O-N 3.14Å |
| 12 | R | 47.9 | Very low | 44.9 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 58% | 0.577 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -76.9 | 112 | 172.8 | -78 | -161.6 | 159.3 | -171.4 | -5.2 | 110.9 | D9 E16 | D9-R12 PolarHBondContact O-N 3.03Å; R12-E16 VanDerWaalsContact CD-OE2 3.22Å; R12-E16 WeakPolarHBondContact CD-OE2 3.48Å; R12-E16 WeakPolarHBondContact CG-OE2 3.46Å; R12-E16 IonicContact CZ-OE2 2.91Å; R12-E16 IonicContact NE-OE2 3.73Å; R12-E16 PolarHBondContact NE-OE2 3.01Å; R12-E16 VanDerWaalsContact NE-OE2 3.14Å |
| 13 | T | 47.3 | Very low | 45.2 | Very low | 92 Ų | 92 | 146 Ų | 146 | 56% | 0.564 | 73% | 0.729 | S | S | * | * | trans | -64 | 144.5 | 172.6 | 54.5 | 0 | 0 | 0 | 0 | 110 | F11 A15 E16 | F11-T13 PolarHBondContact O-N 3.14Å; T13-A15 PolarHBondContact O-N 3.04Å; T13-E16 PolarHBondContact O-N 3.4Å; T13-E16 VanDerWaalsContact O-N 3.08Å | ||
| 14 | K | 41.9 | Very low | 45.5 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -8.5 | 179.9 | -88.4 | 179 | 175.1 | 173.9 | 0 | 115.1 | ||
| 15 | A | 47.9 | Very low | 45.8 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -31.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T13 I17 | T13-A15 PolarHBondContact O-N 3.04Å; A15-I17 PolarHBondContact O-N 3.38Å |
| 16 | E | 47.8 | Very low | 45.8 | Very low | 116 Ų | 116 | 140 Ų | 140 | 54% | 0.542 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -16.5 | -176.7 | -69.4 | 176.7 | -174.1 | 0 | 0 | 113.9 | R12 T13 | R12-E16 VanDerWaalsContact CD-OE2 3.22Å; R12-E16 WeakPolarHBondContact CD-OE2 3.48Å; R12-E16 WeakPolarHBondContact CG-OE2 3.46Å; R12-E16 IonicContact CZ-OE2 2.91Å; R12-E16 IonicContact NE-OE2 3.73Å; R12-E16 PolarHBondContact NE-OE2 3.01Å; R12-E16 VanDerWaalsContact NE-OE2 3.14Å; T13-E16 PolarHBondContact O-N 3.4Å; T13-E16 VanDerWaalsContact O-N 3.08Å |
| 17 | I | 46.1 | Very low | 46 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 53% | 0.528 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.8 | -11 | -174.3 | -60 | 172.4 | 0 | 0 | 0 | 112.1 | L8 A15 | L8-I17 HydrophobicContact CD2-CD1 3.65Å; A15-I17 PolarHBondContact O-N 3.38Å |
| 18 | K | 40 | Very low | 46.5 | Very low | 169 Ų | 169 | 125.7 Ų | 125.7 | 74% | 0.735 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -98.4 | 104.8 | 171.1 | -78.3 | -174.3 | 176.1 | -179.8 | 0 | 109.2 | K20 | K18-K20 PolarHBondContact O-N 3.21Š|
| 19 | G | 35.5 | Very low | 46.7 | Very low | 79 Ų | 79 | 120.7 Ų | 120.7 | 81% | 0.814 | 60% | 0.599 | S | S | * | * | trans | -47.6 | 109.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | K21 | G19-K21 PolarHBondContact O-N 3.34Å; G19-K21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | K | 42.2 | Very low | 46.5 | Very low | 160 Ų | 160 | 121 Ų | 121 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | trans | -67.4 | 108.4 | -177.2 | -75.8 | -180 | 178.9 | 174.3 | 0 | 107.3 | K18 Q22 | K18-K20 PolarHBondContact O-N 3.21Å; K20-Q22 PolarHBondContact O-N 2.9Å | ||
| 21 | K | 36.7 | Very low | 46.5 | Very low | 201 Ų | 201 | 124.9 Ų | 124.9 | 87% | 0.874 | 60% | 0.599 | S | S | * | * | trans | -56.6 | 113.1 | 164 | -85 | -176.5 | 173.1 | -178.7 | 0 | 107.7 | G19 K23 | G19-K21 PolarHBondContact O-N 3.34Å; G19-K21 VanDerWaalsContact O-N 3.09Å; K21-K23 PolarHBondContact O-N 2.92Å | ||
| 22 | Q | 41.6 | Very low | 46.7 | Very low | 196 Ų | 196 | 122 Ų | 122 | 92% | 0.916 | 58% | 0.583 | S | S | * | * | trans | -51.3 | 109.1 | 170.8 | -133.2 | 169.2 | -0.4 | 0 | 0 | 108.4 | K20 | K20-Q22 PolarHBondContact O-N 2.9Š| ||
| 23 | K | 45.2 | Very low | 46.6 | Very low | 185 Ų | 185 | 120.4 Ų | 120.4 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 138.8 | 168.7 | -87.9 | -176.9 | 173.1 | -179.3 | 0 | 107.3 | K21 S25 | K21-K23 PolarHBondContact O-N 2.92Å; K23-S25 PolarHBondContact O-N 3.25Å |
| 24 | R | 44.9 | Very low | 46.9 | Very low | 208 Ų | 208 | 126.1 Ų | 126.1 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 120.7 | 177.6 | -79.6 | 172.3 | 80.5 | 175.7 | 4 | 109.1 | Q26 E71 | R24-Q26 PolarHBondContact O-N 3.5Å; R24-E71 PolarHBondContact NH2-O 3.46Å |
| 25 | S | 50.5 | Low | 47.4 | Very low | 50 Ų | 50 | 119.2 Ų | 119.2 | 35% | 0.35 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -48.3 | 123.6 | 168.7 | 163.7 | 0 | 0 | 0 | 0 | 109.6 | K23 G27 | K23-S25 PolarHBondContact O-N 3.25Å; S25-G27 PolarHBondContact O-N 3.48Å |
| 26 | Q | 48.4 | Very low | 47.9 | Very low | 122 Ų | 122 | 121 Ų | 121 | 57% | 0.57 | 59% | 0.594 | S | S | * | * | trans | -79.9 | 108.5 | 169.3 | -72.6 | -91 | -62.5 | 0 | 0 | 106.7 | R24 P122 | R24-Q26 PolarHBondContact O-N 3.5Å; Q26-P122 WeakPolarHBondContact O-CB 3.46Å | ||
| 27 | G | 52.7 | Low | 48.7 | Very low | 11 Ų | 11 | 119 Ų | 119 | 11% | 0.113 | 59% | 0.59 | C | S | . | * | trans | -71.1 | 150.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S25 S29 E71 | S25-G27 PolarHBondContact O-N 3.48Å; G27-S29 PolarHBondContact O-N 3.43Å; G27-E71 WeakPolarHBondContact CA-OE1 3.31Å; G27-E71 VanDerWaalsContact N-CD 3.33Å; G27-E71 PolarHBondContact N-OE1 3.33Å | ||
| 28 | S | 56.7 | Low | 50.4 | Low | 10 Ų | 10 | 121.9 Ų | 121.9 | 7% | 0.07 | 60% | 0.601 | C | S | . | * | G | 310 helix | trans | -61.9 | -10.3 | -178.8 | 54.9 | 0 | 0 | 0 | 0 | 115.4 | H30 R119 P120 E139 | S28-H30 PolarHBondContact O-N 3.29Å; S28-R119 WeakPolarHBondContact OG-CD 3.47Å; S28-R119 PolarHBondContact OG-NE 3.31Å; S28-P120 WeakPolarHBondContact CB-O 3.44Å; S28-E139 PolarHBondContact OG-OE2 3Å; S28-E139 VanDerWaalsContact OG-OE2 3.09Å |
| 29 | S | 54.6 | Low | 52.8 | Low | 27 Ų | 27 | 114.5 Ų | 114.5 | 19% | 0.189 | 57% | 0.57 | C | S | . | * | G | 310 helix | trans | -69.5 | -13.2 | -173.8 | 79.5 | 0 | 0 | 0 | 0 | 114.4 | G27 Y31 N69 | G27-S29 PolarHBondContact O-N 3.43Å; S29-Y31 VanDerWaalsContact C-N 3.32Å; S29-Y31 PolarHBondContact O-N 2.99Å; S29-N69 PolarHBondContact OG-OD1 2.94Å; S29-N69 VanDerWaalsContact OG-OD1 3.12Å |
| 30 | H | 49.6 | Very low | 55.5 | Low | 99 Ų | 99 | 115.2 Ų | 115.2 | 46% | 0.458 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -70.4 | -14.2 | -166.8 | -104.4 | -56.3 | 0 | 0 | 0 | 116.6 | S28 E71 | S28-H30 PolarHBondContact O-N 3.29Å; H30-E71 IonicContact CD2-OE1 2.78Å; H30-E71 PolarHBondContact CD2-OE1 2.88Å; H30-E71 IonicContact CD2-OE2 3.74Å; H30-E71 IonicContact NE2-OE1 2.74Å; H30-E71 IonicContact NE2-OE2 3.16Å |
| 31 | Y | 50.1 | Low | 57.9 | Low | 197 Ų | 197 | 117.6 Ų | 117.6 | 77% | 0.773 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -97.1 | 12.4 | -165.8 | -86.6 | -83.6 | 0 | 0 | 0 | 116.9 | S29 | S29-Y31 VanDerWaalsContact C-N 3.32Å; S29-Y31 PolarHBondContact O-N 2.99Å |
| 32 | R | 52.9 | Low | 60.7 | Low | 118 Ų | 118 | 109.7 Ų | 109.7 | 45% | 0.445 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -110.3 | 138.6 | 177.7 | -71.3 | -163.8 | -176 | 165 | 13.7 | 114.3 | C115 F118 | R32-C115 PolarHBondContact NH1-O 3.43Å; R32-C115 PolarHBondContact NH2-O 3.22Å; R32-F118 PolarHBondContact NH2-O 2.73Å; R32-F118 VanDerWaalsContact NH2-O 3.14Å |
| 33 | P | 47 | Very low | 63.3 | Low | 120 Ų | 120 | 103.2 Ų | 103.2 | 78% | 0.779 | 51% | 0.505 | S | S | * | . | trans | -55.5 | 139.6 | 172.5 | -19.6 | 29.7 | 0 | 0 | 0 | 110.9 | A35 | P33-A35 PolarHBondContact O-N 2.82Š| ||
| 34 | K | 51.7 | Low | 65.6 | Low | 211 Ų | 211 | 95.2 Ų | 95.2 | 92% | 0.917 | 47% | 0.473 | S | S | * | . | trans | -55.1 | 98.2 | 178.9 | -72.7 | -177.5 | 175.2 | -177.3 | 0 | 111 | ||||
| 35 | A | 54.1 | Low | 68 | Low | 51 Ų | 51 | 86.2 Ų | 86.2 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | trans | -71.5 | 161.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P33 T37 | P33-A35 PolarHBondContact O-N 2.82Å; A35-T37 PolarHBondContact O-N 3.27Å | ||
| 36 | P | 57.2 | Low | 69.9 | Low | 107 Ų | 107 | 92.5 Ų | 92.5 | 70% | 0.695 | 46% | 0.461 | S | S | * | . | trans | -52.9 | 117.5 | 178.1 | -21.1 | 31.4 | 0 | 0 | 0 | 109.9 | E38 | P36-E38 PolarHBondContact O-N 2.64Š| ||
| 37 | T | 65.9 | Low | 72.1 | Confident | 74 Ų | 74 | 92 Ų | 92 | 45% | 0.454 | 46% | 0.462 | S | S | . | . | trans | -75.5 | -10.5 | -172.7 | 35.3 | 0 | 0 | 0 | 0 | 113.4 | A35 D76 S79 | A35-T37 PolarHBondContact O-N 3.27Å; T37-D76 WeakPolarHBondContact CB-OD1 3.39Å; T37-S79 VanDerWaalsContact O-CB 3.26Å; T37-S79 WeakPolarHBondContact O-CB 3.3Å; T37-S79 PolarHBondContact O-OG 3.09Å | ||
| 38 | E | 80.6 | Confident | 74 | Confident | 165 Ų | 165 | 92.9 Ų | 92.9 | 77% | 0.771 | 47% | 0.465 | S | S | * | . | trans | -101.9 | 114.3 | -178 | -161.3 | 167.4 | -165 | 0 | 0 | 111.8 | P36 S79 | P36-E38 PolarHBondContact O-N 2.64Å; E38-S79 WeakPolarHBondContact CA-OG 3.37Å | ||
| 39 | L | 90 | Very high | 75.7 | Confident | 13 Ų | 13 | 94.6 Ų | 94.6 | 7% | 0.068 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 144.6 | 174.1 | -67.4 | -175.1 | 0 | 0 | 0 | 110.9 | Q63 V66 F68 S79 I82 K83 | L39-Q63 HydrophobicContact CD2-CB 4.09Å; L39-Q63 HydrophobicContact CD2-CG 4.46Å; L39-V66 HydrophobicContact CD2-CB 4.03Å; L39-V66 HydrophobicContact CD2-CG2 3.81Å; L39-F68 HydrophobicContact CD1-CE2 3.95Å; L39-F68 HydrophobicContact CD1-CZ 3.82Å; L39-F68 HydrophobicContact CG-CZ 3.91Å; L39-S79 WeakPolarHBondContact CD1-O 3.49Å; L39-S79 PolarHBondContact N-OG 3.42Å; L39-I82 HydrophobicContact CB-CB 4.33Å; L39-I82 HydrophobicContact CB-CD1 4.46Å; L39-I82 HydrophobicContact CB-CG2 3.89Å; L39-I82 HydrophobicContact CD1-CG2 4.26Å; L39-K83 HydrophobicContact CD1-CB 3.68Å |
| 40 | T | 92.1 | Very high | 77.4 | Confident | 94 Ų | 94 | 98.5 Ų | 98.5 | 58% | 0.577 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 123.7 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | L42 Q63 F86 | T40-L42 PolarHBondContact O-N 2.88Å; T40-Q63 PolarHBondContact O-NE2 2.75Å; T40-Q63 PolarHBondContact O-OE1 3.23Å; T40-F86 WeakPolarHBondContact O-CZ 3.43Å |
| 41 | R | 93.7 | Very high | 79.4 | Confident | 211 Ų | 211 | 98.8 Ų | 98.8 | 80% | 0.796 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 127.2 | 175.8 | -164.4 | 170.7 | -172.4 | 164.3 | 2.6 | 110.4 | ||
| 42 | L | 95.3 | Very high | 81.5 | Confident | 34 Ų | 34 | 94.1 Ų | 94.1 | 18% | 0.178 | 50% | 0.5 | C | S | . | . | trans | -111.1 | 154.1 | 178.8 | -63.9 | 176.7 | 0 | 0 | 0 | 108.9 | T40 L56 K59 K60 F86 | T40-L42 PolarHBondContact O-N 2.88Å; L42-L56 HydrophobicContact CB-CD1 4Å; L42-L56 HydrophobicContact CD1-CD1 4.25Å; L42-K59 HydrophobicContact CD1-CB 3.86Å; L42-K60 HydrophobicContact CD1-CG 3.77Å; L42-F86 HydrophobicContact CB-CE1 3.97Å; L42-F86 HydrophobicContact CB-CZ 3.67Å; L42-F86 HydrophobicContact CD1-CE2 4.24Å; L42-F86 HydrophobicContact CD1-CZ 4.16Å; L42-F86 HydrophobicContact CG-CE2 4.33Å; L42-F86 HydrophobicContact CG-CZ 3.84Å | ||
| 43 | P | 95.6 | Very high | 83.4 | Confident | 61 Ų | 61 | 89.9 Ų | 89.9 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | trans | -62.9 | 155.7 | 177.7 | 26.5 | -35 | 0 | 0 | 0 | 112 | V48 L56 K60 | P43-V48 HydrophobicContact CB-CG1 3.99Å; P43-V48 HydrophobicContact CG-CG1 3.73Å; P43-L56 HydrophobicContact CG-CD1 4.18Å; P43-L56 HydrophobicContact CG-CD2 4.36Å; P43-K60 VanDerWaalsContact O-CE 3.29Å; P43-K60 WeakPolarHBondContact O-CE 3.42Å; P43-K60 PolarHBondContact O-NZ 2.67Å | ||
| 44 | A | 94.6 | Very high | 85.6 | Confident | 16 Ų | 16 | 86.5 Ų | 86.5 | 13% | 0.132 | 46% | 0.459 | C | S | . | . | trans | -72.4 | 155.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K46 D47 | A44-K46 HydrophobicContact CB-CG 3.97Å; A44-K46 PolarHBondContact O-N 3.08Å; A44-D47 WeakPolarHBondContact CB-OD2 3.1Å; A44-D47 PolarHBondContact O-N 3.14Å | ||
| 45 | F | 93.8 | Very high | 87.7 | Confident | 19 Ų | 19 | 82 Ų | 82 | 8% | 0.083 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -59.3 | -32.5 | -180 | -73 | -74.9 | 0 | 0 | 0 | 113.2 | D47 V48 H53 L56 F57 K60 E89 L90 Y93 | F45-D47 PolarHBondContact O-N 2.88Å; F45-V48 WeakPolarHBondContact O-CG2 3.49Å; F45-H53 HydrophobicContact CD1-CB 4.42Å; F45-H53 PolarHBondContact O-CE1 3.4Å; F45-H53 PolarHBondContact O-NE2 3.43Å; F45-L56 HydrophobicContact CD1-CD2 3.87Å; F45-L56 HydrophobicContact CD1-CG 4.33Å; F45-L56 HydrophobicContact CE1-CB 4.19Å; F45-L56 HydrophobicContact CE1-CD2 4.06Å; F45-L56 HydrophobicContact CE1-CG 4Å; F45-L56 HydrophobicContact CG-CD2 4.43Å; F45-F57 HydrophobicContact CE1-CB 3.99Å; F45-F57 HydrophobicContact CZ-CB 4.07Å; F45-F57 AromaticContact CZ-CD2 3.95Å; F45-F57 HydrophobicContact CZ-CD2 3.95Å; F45-K60 HydrophobicContact CE2-CD 3.78Å; F45-K60 HydrophobicContact CZ-CD 3.83Å; F45-E89 HydrophobicContact CD2-CB 4.18Å; F45-E89 HydrophobicContact CE2-CB 4.2Å; F45-L90 HydrophobicContact CZ-CD2 4.33Å; F45-Y93 HydrophobicContact CB-CD2 4.34Å; F45-Y93 AromaticContact CD1-CD2 3.74Å; F45-Y93 HydrophobicContact CD1-CD2 3.74Å; F45-Y93 AromaticContact CD1-CE2 3.94Å; F45-Y93 HydrophobicContact CD1-CE2 3.94Å; F45-Y93 HydrophobicContact CD1-CG 4.27Å; F45-Y93 HydrophobicContact CD2-CD2 4.17Å; F45-Y93 HydrophobicContact CD2-CG 4.21Å; F45-Y93 HydrophobicContact CE1-CD1 4.43Å; F45-Y93 HydrophobicContact CE1-CD2 4.03Å; F45-Y93 HydrophobicContact CE1-CE2 4.19Å; F45-Y93 HydrophobicContact CE1-CG 4.16Å; F45-Y93 HydrophobicContact CE2-CD2 4.43Å; F45-Y93 HydrophobicContact CE2-CG 4.09Å; F45-Y93 AromaticContact CG-CD2 3.83Å; F45-Y93 HydrophobicContact CG-CD2 3.83Å; F45-Y93 HydrophobicContact CG-CE2 4.44Å; F45-Y93 HydrophobicContact CG-CG 4.31Å; F45-Y93 HydrophobicContact CZ-CD1 4.32Å; F45-Y93 HydrophobicContact CZ-CD2 4.37Å; F45-Y93 HydrophobicContact CZ-CG 4.07Å |
| 46 | K | 92.2 | Very high | 89.7 | Confident | 183 Ų | 183 | 80.2 Ų | 80.2 | 80% | 0.796 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -68.2 | -18.2 | 176.6 | 63.1 | 179.1 | -177 | -176.6 | 0 | 114.3 | A44 | A44-K46 HydrophobicContact CB-CG 3.97Å; A44-K46 PolarHBondContact O-N 3.08Å |
| 47 | D | 93.1 | Very high | 91.5 | Very high | 111 Ų | 111 | 75.1 Ų | 75.1 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -97.1 | -0.9 | -175 | -56.3 | -35.8 | 0 | 0 | 0 | 112.6 | A44 F45 | A44-D47 WeakPolarHBondContact CB-OD2 3.1Å; A44-D47 PolarHBondContact O-N 3.14Å; F45-D47 PolarHBondContact O-N 2.88Å |
| 48 | V | 93 | Very high | 93 | Very high | 30 Ų | 30 | 73.1 Ų | 73.1 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -123.8 | 156.3 | -179.3 | -68 | 0 | 0 | 0 | 0 | 111.5 | P43 F45 E52 H53 L56 | P43-V48 HydrophobicContact CB-CG1 3.99Å; P43-V48 HydrophobicContact CG-CG1 3.73Å; F45-V48 WeakPolarHBondContact O-CG2 3.49Å; V48-E52 HydrophobicContact CB-CB 4.36Å; V48-H53 PolarHBondContact O-NE2 3.27Å; V48-L56 HydrophobicContact CG1-CD2 4.32Å; V48-L56 HydrophobicContact CG2-CD2 3.5Å |
| 49 | S | 93 | Very high | 93.8 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | trans | -66.3 | 147.4 | 178.7 | 68.3 | 0 | 0 | 0 | 0 | 111.4 | S51 E52 H53 | S49-S51 PolarHBondContact O-N 3.24Å; S49-S51 PolarHBondContact OG-OG 3.04Å; S49-E52 WeakPolarHBondContact CB-OE2 3.43Å; S49-E52 PolarHBondContact N-OE2 3.27Å; S49-E52 VanDerWaalsContact N-OE2 3.14Å; S49-E52 PolarHBondContact O-N 2.73Å; S49-E52 WeakPolarHBondContact OG-CG 3.19Å; S49-E52 PolarHBondContact OG-OE2 3.16Å; S49-H53 PolarHBondContact O-CD2 2.97Å | ||
| 50 | P | 90.4 | Very high | 94.1 | Very high | 108 Ų | 108 | 68.7 Ų | 68.7 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -53.5 | -27.6 | 177.5 | -29.3 | 36.2 | 0 | 0 | 0 | 114.6 | E52 H53 | P50-E52 VanDerWaalsContact C-N 3.28Å; P50-E52 PolarHBondContact O-N 3.43Å; P50-H53 WeakPolarHBondContact O-CB 3.41Å; P50-H53 PolarHBondContact O-N 2.59Å |
| 51 | S | 92 | Very high | 94.4 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 73% | 0.734 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -63.9 | -28.2 | 174.2 | 33 | 0 | 0 | 0 | 0 | 114 | S49 | S49-S51 PolarHBondContact O-N 3.24Å; S49-S51 PolarHBondContact OG-OG 3.04Å |
| 52 | E | 93.4 | Very high | 94.5 | Very high | 100 Ų | 100 | 59.9 Ų | 59.9 | 47% | 0.467 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -92.4 | -10.9 | -178.7 | -64.9 | 168.2 | 105.8 | 0 | 0 | 112.6 | V48 S49 P50 Q54 E55 L56 | V48-E52 HydrophobicContact CB-CB 4.36Å; S49-E52 WeakPolarHBondContact CB-OE2 3.43Å; S49-E52 PolarHBondContact N-OE2 3.27Å; S49-E52 VanDerWaalsContact N-OE2 3.14Å; S49-E52 PolarHBondContact O-N 2.73Å; S49-E52 WeakPolarHBondContact OG-CG 3.19Å; S49-E52 PolarHBondContact OG-OE2 3.16Å; P50-E52 VanDerWaalsContact C-N 3.28Å; P50-E52 PolarHBondContact O-N 3.43Å; E52-Q54 VanDerWaalsContact C-N 3.32Å; E52-Q54 PolarHBondContact O-N 3.42Å; E52-E55 PolarHBondContact O-N 2.82Å; E52-L56 WeakPolarHBondContact O-CB 3.36Å; E52-L56 PolarHBondContact O-N 3.31Å |
| 53 | H | 93.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 59.8 Ų | 59.8 | 13% | 0.134 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | -172.7 | -74.6 | -163.9 | 0 | 0 | 0 | 112.5 | F45 V48 S49 P50 L56 F57 Y93 | F45-H53 HydrophobicContact CD1-CB 4.42Å; F45-H53 PolarHBondContact O-CE1 3.4Å; F45-H53 PolarHBondContact O-NE2 3.43Å; V48-H53 PolarHBondContact O-NE2 3.27Å; S49-H53 PolarHBondContact O-CD2 2.97Å; P50-H53 WeakPolarHBondContact O-CB 3.41Å; P50-H53 PolarHBondContact O-N 2.59Å; H53-L56 PolarHBondContact O-N 3.31Å; H53-F57 WeakPolarHBondContact O-CB 3.45Å; H53-F57 PolarHBondContact O-N 3.1Å; H53-Y93 HydrophobicContact CB-CE2 3.96Å; H53-Y93 WeakPolarHBondContact CB-OH 3.39Å; H53-Y93 AromaticContact ND1-CE2 3.68Å |
| 54 | Q | 93.3 | Very high | 94.6 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 23% | 0.229 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | -179.3 | -73.7 | -67.8 | -35.7 | 0 | 0 | 112.5 | E52 F57 V58 Y93 A100 N102 | E52-Q54 VanDerWaalsContact C-N 3.32Å; E52-Q54 PolarHBondContact O-N 3.42Å; Q54-F57 PolarHBondContact O-N 2.97Å; Q54-V58 WeakPolarHBondContact O-CG2 3.1Å; Q54-V58 PolarHBondContact O-N 2.93Å; Q54-V58 VanDerWaalsContact O-N 3.14Å; Q54-Y93 PolarHBondContact NE2-OH 2.92Å; Q54-A100 PolarHBondContact NE2-O 3.33Å; Q54-A100 VanDerWaalsContact NE2-O 3.08Å; Q54-N102 PolarHBondContact OE1-ND2 3.46Å |
| 55 | E | 94.5 | Very high | 94.7 | Very high | 117 Ų | 117 | 57.9 Ų | 57.9 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 177 | -170 | -173.9 | 159.6 | 0 | 0 | 111.1 | E52 F57 V58 K59 | E52-E55 PolarHBondContact O-N 2.82Å; E55-F57 VanDerWaalsContact C-N 3.3Å; E55-F57 PolarHBondContact O-N 3.47Å; E55-V58 PolarHBondContact O-N 2.87Å; E55-K59 HydrophobicContact CG-CD 4.48Å; E55-K59 WeakPolarHBondContact O-CG 3.46Å; E55-K59 PolarHBondContact O-N 2.97Å; E55-K59 WeakPolarHBondContact OE1-CE 3.47Å; E55-K59 IonicContact OE1-NZ 2.64Å; E55-K59 PolarHBondContact OE1-NZ 3.4Å |
| 56 | L | 96.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.3 | -178 | 60.8 | 0 | 0 | 0 | 111.8 | L42 P43 F45 V48 E52 H53 K59 K60 | L42-L56 HydrophobicContact CB-CD1 4Å; L42-L56 HydrophobicContact CD1-CD1 4.25Å; P43-L56 HydrophobicContact CG-CD1 4.18Å; P43-L56 HydrophobicContact CG-CD2 4.36Å; F45-L56 HydrophobicContact CD1-CD2 3.87Å; F45-L56 HydrophobicContact CD1-CG 4.33Å; F45-L56 HydrophobicContact CE1-CB 4.19Å; F45-L56 HydrophobicContact CE1-CD2 4.06Å; F45-L56 HydrophobicContact CE1-CG 4Å; F45-L56 HydrophobicContact CG-CD2 4.43Å; V48-L56 HydrophobicContact CG1-CD2 4.32Å; V48-L56 HydrophobicContact CG2-CD2 3.5Å; E52-L56 WeakPolarHBondContact O-CB 3.36Å; E52-L56 PolarHBondContact O-N 3.31Å; H53-L56 PolarHBondContact O-N 3.31Å; L56-K59 PolarHBondContact O-N 3.17Å; L56-K60 HydrophobicContact CD1-CG 4.48Å; L56-K60 HydrophobicContact CG-CD 4.39Å; L56-K60 WeakPolarHBondContact O-CG 3.48Å; L56-K60 PolarHBondContact O-N 3.32Å |
| 57 | F | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 176.4 | -177.7 | -117.5 | 0 | 0 | 0 | 111.4 | F45 H53 Q54 E55 K59 K60 L61 L90 Y93 V105 I109 F151 | F45-F57 HydrophobicContact CE1-CB 3.99Å; F45-F57 HydrophobicContact CZ-CB 4.07Å; F45-F57 AromaticContact CZ-CD2 3.95Å; F45-F57 HydrophobicContact CZ-CD2 3.95Å; H53-F57 WeakPolarHBondContact O-CB 3.45Å; H53-F57 PolarHBondContact O-N 3.1Å; Q54-F57 PolarHBondContact O-N 2.97Å; E55-F57 VanDerWaalsContact C-N 3.3Å; E55-F57 PolarHBondContact O-N 3.47Å; F57-K59 PolarHBondContact O-N 2.98Å; F57-K60 PolarHBondContact O-N 3.44Å; F57-L61 HydrophobicContact CD1-CD1 3.93Å; F57-L61 HydrophobicContact CE1-CD1 3.71Å; F57-L61 HydrophobicContact CE2-CD1 4.44Å; F57-L61 HydrophobicContact CG-CD1 4.41Å; F57-L61 HydrophobicContact CZ-CD1 3.98Å; F57-L61 WeakPolarHBondContact O-CG 3.29Å; F57-L61 PolarHBondContact O-N 3.4Å; F57-L90 HydrophobicContact CD2-CD2 3.28Å; F57-L90 HydrophobicContact CE2-CD2 3.35Å; F57-L90 HydrophobicContact CG-CD2 4.36Å; F57-L90 HydrophobicContact CZ-CD2 4.49Å; F57-Y93 HydrophobicContact CB-CE1 4.19Å; F57-Y93 HydrophobicContact CD1-CE1 4.4Å; F57-Y93 AromaticContact CD2-CD1 3.46Å; F57-Y93 HydrophobicContact CD2-CD1 3.46Å; F57-Y93 VanDerWaalsContact CD2-CD1 3.46Å; F57-Y93 AromaticContact CD2-CE1 3.71Å; F57-Y93 HydrophobicContact CD2-CE1 3.71Å; F57-Y93 HydrophobicContact CD2-CG 4.45Å; F57-Y93 AromaticContact CE2-CD1 3.67Å; F57-Y93 HydrophobicContact CE2-CD1 3.67Å; F57-Y93 HydrophobicContact CE2-CE1 4.14Å; F57-Y93 HydrophobicContact CG-CD1 4.12Å; F57-Y93 AromaticContact CG-CE1 3.88Å; F57-Y93 HydrophobicContact CG-CE1 3.88Å; F57-Y93 HydrophobicContact CZ-CD1 4.44Å; F57-V105 HydrophobicContact CD1-CB 4.26Å; F57-V105 HydrophobicContact CD1-CG1 3.78Å; F57-V105 HydrophobicContact CE1-CB 3.98Å; F57-V105 HydrophobicContact CE1-CG1 4.01Å; F57-V105 HydrophobicContact CE1-CG2 4.29Å; F57-I109 HydrophobicContact CE1-CD1 4Å; F57-I109 HydrophobicContact CE1-CG1 4.27Å; F57-I109 HydrophobicContact CZ-CD1 4.11Å; F57-I109 HydrophobicContact CZ-CG1 4.31Å; F57-F151 HydrophobicContact CE2-CE2 4.09Å; F57-F151 HydrophobicContact CE2-CZ 4.13Å; F57-F151 HydrophobicContact CZ-CE2 4.16Å; F57-F151 AromaticContact CZ-CZ 3.83Å; F57-F151 HydrophobicContact CZ-CZ 3.83Å |
| 58 | V | 96.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 47.2 Ų | 47.2 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.1 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | Q54 E55 K60 L61 Q62 V105 P108 | Q54-V58 WeakPolarHBondContact O-CG2 3.1Å; Q54-V58 PolarHBondContact O-N 2.93Å; Q54-V58 VanDerWaalsContact O-N 3.14Å; E55-V58 PolarHBondContact O-N 2.87Å; V58-K60 PolarHBondContact O-N 3.39Å; V58-L61 PolarHBondContact O-N 3.5Å; V58-Q62 HydrophobicContact CG1-CG 4.48Å; V58-Q62 WeakPolarHBondContact O-CG 3.42Å; V58-Q62 PolarHBondContact O-N 3.28Å; V58-V105 HydrophobicContact CG2-CG1 3.96Å; V58-P108 HydrophobicContact CG1-CG 4.27Å |
| 59 | K | 96.5 | Very high | 94.3 | Very high | 85 Ų | 85 | 48 Ų | 48 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 177.2 | -74.1 | 176.4 | -178.4 | 168 | 0 | 112.3 | L42 E55 L56 F57 Q62 Q63 | L42-K59 HydrophobicContact CD1-CB 3.86Å; E55-K59 HydrophobicContact CG-CD 4.48Å; E55-K59 WeakPolarHBondContact O-CG 3.46Å; E55-K59 PolarHBondContact O-N 2.97Å; E55-K59 WeakPolarHBondContact OE1-CE 3.47Å; E55-K59 IonicContact OE1-NZ 2.64Å; E55-K59 PolarHBondContact OE1-NZ 3.4Å; L56-K59 PolarHBondContact O-N 3.17Å; F57-K59 PolarHBondContact O-N 2.98Å; K59-Q62 PolarHBondContact O-N 2.85Å; K59-Q63 PolarHBondContact O-N 2.97Å; K59-Q63 VanDerWaalsContact O-N 3.09Å |
| 60 | K | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 176.1 | -76.7 | 179.8 | -178.1 | 169.6 | 0 | 111.9 | L42 P43 F45 L56 F57 V58 Q62 Q63 C64 F86 E89 L90 | L42-K60 HydrophobicContact CD1-CG 3.77Å; P43-K60 VanDerWaalsContact O-CE 3.29Å; P43-K60 WeakPolarHBondContact O-CE 3.42Å; P43-K60 PolarHBondContact O-NZ 2.67Å; F45-K60 HydrophobicContact CE2-CD 3.78Å; F45-K60 HydrophobicContact CZ-CD 3.83Å; L56-K60 HydrophobicContact CD1-CG 4.48Å; L56-K60 HydrophobicContact CG-CD 4.39Å; L56-K60 WeakPolarHBondContact O-CG 3.48Å; L56-K60 PolarHBondContact O-N 3.32Å; F57-K60 PolarHBondContact O-N 3.44Å; V58-K60 PolarHBondContact O-N 3.39Å; K60-Q62 VanDerWaalsContact C-N 3.33Å; K60-Q62 PolarHBondContact O-N 3.11Å; K60-Q63 PolarHBondContact O-N 3.17Å; K60-C64 WeakPolarHBondContact O-CB 3.2Å; K60-C64 PolarHBondContact O-N 3.15Å; K60-C64 PolarHBondContact O-SG 3.38Å; K60-F86 HydrophobicContact CD-CD1 4.25Å; K60-F86 HydrophobicContact CD-CG 4.45Å; K60-F86 HydrophobicContact CG-CD1 4.27Å; K60-F86 HydrophobicContact CG-CD2 4.33Å; K60-F86 HydrophobicContact CG-CG 4.16Å; K60-E89 IonicContact NZ-OE2 2.73Å; K60-E89 PolarHBondContact NZ-OE2 2.88Å; K60-L90 HydrophobicContact CB-CD1 4.36Å; K60-L90 HydrophobicContact CB-CD2 3.94Å; K60-L90 HydrophobicContact CB-CG 4.3Å |
| 61 | L | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | 174.7 | -73.1 | 169.3 | 0 | 0 | 0 | 111.7 | F57 V58 C64 C65 L90 P108 I109 M112 F151 | F57-L61 HydrophobicContact CD1-CD1 3.93Å; F57-L61 HydrophobicContact CE1-CD1 3.71Å; F57-L61 HydrophobicContact CE2-CD1 4.44Å; F57-L61 HydrophobicContact CG-CD1 4.41Å; F57-L61 HydrophobicContact CZ-CD1 3.98Å; F57-L61 WeakPolarHBondContact O-CG 3.29Å; F57-L61 PolarHBondContact O-N 3.4Å; V58-L61 PolarHBondContact O-N 3.5Å; L61-C64 PolarHBondContact O-N 2.98Å; L61-C65 PolarHBondContact O-N 3.23Å; L61-C65 PolarHBondContact O-SG 3.38Å; L61-C65 VanDerWaalsContact O-SG 3.37Å; L61-L90 HydrophobicContact CD2-CD1 3.94Å; L61-L90 HydrophobicContact CD2-CD2 4.26Å; L61-L90 HydrophobicContact CG-CD1 4.42Å; L61-L90 HydrophobicContact CG-CD2 4.18Å; L61-P108 HydrophobicContact CB-CB 4.39Å; L61-P108 HydrophobicContact CD1-CB 3.94Å; L61-I109 HydrophobicContact CD1-CG1 3.66Å; L61-I109 HydrophobicContact CD2-CG1 4.28Å; L61-M112 HydrophobicContact CD2-CB 4.11Å; L61-M112 HydrophobicContact CD2-CE 3.75Å; L61-M112 HydrophobicContact CD2-CG 4.14Å; L61-M112 WeakPolarHBondContact O-CG 3.34Å; L61-F151 HydrophobicContact CD2-CE1 3.96Å; L61-F151 HydrophobicContact CD2-CZ 3.89Å |
| 62 | Q | 96.1 | Very high | 93.7 | Very high | 120 Ų | 120 | 42.7 Ų | 42.7 | 56% | 0.561 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.6 | -44.5 | 178 | -73 | 172.7 | -10.4 | 0 | 0 | 112.4 | V58 K59 K60 C64 C65 | V58-Q62 HydrophobicContact CG1-CG 4.48Å; V58-Q62 WeakPolarHBondContact O-CG 3.42Å; V58-Q62 PolarHBondContact O-N 3.28Å; K59-Q62 PolarHBondContact O-N 2.85Å; K60-Q62 VanDerWaalsContact C-N 3.33Å; K60-Q62 PolarHBondContact O-N 3.11Å; Q62-C64 VanDerWaalsContact C-N 3.3Å; Q62-C64 PolarHBondContact O-N 3.45Å; Q62-C65 VanDerWaalsContact O-CB 3.28Å; Q62-C65 WeakPolarHBondContact O-CB 3.44Å; Q62-C65 PolarHBondContact O-N 2.9Å |
| 63 | Q | 95.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.9 | -33.9 | 175.7 | -73.4 | -157.4 | 48.2 | 0 | 0 | 112.4 | L39 T40 K59 K60 C65 V66 F86 | L39-Q63 HydrophobicContact CD2-CB 4.09Å; L39-Q63 HydrophobicContact CD2-CG 4.46Å; T40-Q63 PolarHBondContact O-NE2 2.75Å; T40-Q63 PolarHBondContact O-OE1 3.23Å; K59-Q63 PolarHBondContact O-N 2.97Å; K59-Q63 VanDerWaalsContact O-N 3.09Å; K60-Q63 PolarHBondContact O-N 3.17Å; Q63-C65 PolarHBondContact O-N 3.27Å; Q63-V66 PolarHBondContact O-N 3.22Å; Q63-F86 HydrophobicContact CB-CD2 4.29Å; Q63-F86 HydrophobicContact CB-CE2 4.19Å |
| 64 | C | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.4 | -11.2 | 175.7 | -67.5 | 0 | 0 | 0 | 0 | 113.8 | K60 L61 Q62 V66 K83 L87 M112 N116 | K60-C64 WeakPolarHBondContact O-CB 3.2Å; K60-C64 PolarHBondContact O-N 3.15Å; K60-C64 PolarHBondContact O-SG 3.38Å; L61-C64 PolarHBondContact O-N 2.98Å; Q62-C64 VanDerWaalsContact C-N 3.3Å; Q62-C64 PolarHBondContact O-N 3.45Å; C64-V66 PolarHBondContact O-N 3.33Å; C64-K83 VanDerWaalsContact O-CE 3.24Å; C64-K83 WeakPolarHBondContact O-CE 3.34Å; C64-K83 PolarHBondContact O-NZ 3.36Å; C64-L87 HydrophobicContact CB-CD2 3.98Å; C64-M112 HydrophobicContact CB-CG 3.7Å; C64-M112 HydrophobicContact CB-SD 4.19Å; C64-N116 PolarHBondContact O-ND2 2.99Å |
| 65 | C | 96.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 45 Ų | 45 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.8 | 171.6 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | L61 Q62 Q63 V67 C115 | L61-C65 PolarHBondContact O-N 3.23Å; L61-C65 PolarHBondContact O-SG 3.38Å; L61-C65 VanDerWaalsContact O-SG 3.37Å; Q62-C65 VanDerWaalsContact O-CB 3.28Å; Q62-C65 WeakPolarHBondContact O-CB 3.44Å; Q62-C65 PolarHBondContact O-N 2.9Å; Q63-C65 PolarHBondContact O-N 3.27Å; C65-V67 PolarHBondContact O-N 3.16Å; C65-C115 HydrophobicContact CB-CB 4.32Å |
| 66 | V | 93.5 | Very high | 92.5 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 119.3 | 176.7 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | L39 Q63 C64 F68 K83 | L39-V66 HydrophobicContact CD2-CB 4.03Å; L39-V66 HydrophobicContact CD2-CG2 3.81Å; Q63-V66 PolarHBondContact O-N 3.22Å; C64-V66 PolarHBondContact O-N 3.33Å; V66-F68 HydrophobicContact CB-CZ 4.43Å; V66-F68 HydrophobicContact CG1-CE1 4.13Å; V66-F68 HydrophobicContact CG1-CE2 4.24Å; V66-F68 HydrophobicContact CG1-CZ 3.82Å; V66-K83 WeakPolarHBondContact O-CD 3.45Å; V66-K83 PolarHBondContact O-NZ 3Å |
| 67 | V | 92.2 | Very high | 92.3 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 35% | 0.345 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -97 | 131.5 | 180 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | C65 C115 | C65-V67 PolarHBondContact O-N 3.16Å; V67-C115 WeakPolarHBondContact CG2-O 3.28Å |
| 68 | F | 91.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -103 | 150 | 179.4 | -63.1 | -79.2 | 0 | 0 | 0 | 111.1 | L39 V66 F70 D76 S79 K80 K83 H144 | L39-F68 HydrophobicContact CD1-CE2 3.95Å; L39-F68 HydrophobicContact CD1-CZ 3.82Å; L39-F68 HydrophobicContact CG-CZ 3.91Å; V66-F68 HydrophobicContact CB-CZ 4.43Å; V66-F68 HydrophobicContact CG1-CE1 4.13Å; V66-F68 HydrophobicContact CG1-CE2 4.24Å; V66-F68 HydrophobicContact CG1-CZ 3.82Å; F68-F70 HydrophobicContact CB-CD2 4.49Å; F68-F70 HydrophobicContact CB-CE2 4.14Å; F68-F70 WeakPolarHBondContact O-CD2 3.23Å; F68-D76 HydrophobicContact CD1-CB 3.68Å; F68-D76 HydrophobicContact CE1-CB 3.94Å; F68-S79 VanDerWaalsContact CE1-CB 3.48Å; F68-S79 VanDerWaalsContact CZ-CB 3.46Å; F68-K80 HydrophobicContact CB-CD 4.39Å; F68-K80 HydrophobicContact CB-CG 3.82Å; F68-K80 HydrophobicContact CD1-CG 4.14Å; F68-K80 HydrophobicContact CD2-CG 4.09Å; F68-K80 HydrophobicContact CG-CG 3.73Å; F68-K83 HydrophobicContact CD2-CD 3.91Å; F68-K83 HydrophobicContact CE2-CB 4Å; F68-K83 HydrophobicContact CE2-CD 3.63Å; F68-K83 HydrophobicContact CE2-CG 4.46Å; F68-H144 AromaticContact CD2-CE1 3.67Å |
| 69 | N | 88 | Confident | 92 | Very high | 45 Ų | 45 | 48.6 Ų | 48.6 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 121.3 | 169.9 | -175.6 | -3.2 | 0 | 0 | 0 | 109.8 | S29 E71 K80 | S29-N69 PolarHBondContact OG-OD1 2.94Å; S29-N69 VanDerWaalsContact OG-OD1 3.12Å; N69-E71 VanDerWaalsContact OD1-CB 3.32Å; N69-E71 WeakPolarHBondContact OD1-CB 3.12Å; N69-E71 PolarHBondContact OD1-N 3.43Å; N69-K80 WeakPolarHBondContact O-CE 3.4Å; N69-K80 PolarHBondContact O-NZ 3.42Å |
| 70 | F | 91.1 | Very high | 91.9 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -95.8 | -9.7 | 178 | -81.1 | -94.4 | 0 | 0 | 0 | 114.2 | F68 D72 K80 A140 A141 P143 H144 | F68-F70 HydrophobicContact CB-CD2 4.49Å; F68-F70 HydrophobicContact CB-CE2 4.14Å; F68-F70 WeakPolarHBondContact O-CD2 3.23Å; F70-D72 PolarHBondContact O-N 3.31Å; F70-K80 HydrophobicContact CE1-CD 4.23Å; F70-K80 HydrophobicContact CZ-CD 4.35Å; F70-K80 HydrophobicContact CZ-CG 4.27Å; F70-A140 HydrophobicContact CB-CB 3.89Å; F70-A140 WeakPolarHBondContact CB-O 3.31Å; F70-A141 HydrophobicContact CB-CB 4.46Å; F70-A141 HydrophobicContact CD2-CB 3.69Å; F70-A141 HydrophobicContact CE2-CB 4.22Å; F70-A141 HydrophobicContact CG-CB 4.25Å; F70-P143 HydrophobicContact CE1-CB 4.22Å; F70-P143 HydrophobicContact CE1-CG 4.22Å; F70-H144 HydrophobicContact CE2-CB 4.41Å; F70-H144 AromaticContact CE2-CE1 3.88Å; F70-H144 AromaticContact CE2-CG 3.91Å; F70-H144 AromaticContact CE2-ND1 3.51Å; F70-H144 HydrophobicContact CZ-CB 4.39Å; F70-H144 AromaticContact CZ-CD2 3.78Å; F70-H144 AromaticContact CZ-CE1 3.51Å; F70-H144 AromaticContact CZ-CG 3.63Å; F70-H144 AromaticContact CZ-ND1 3.49Å; F70-H144 WeakPolarHBondContact CZ-ND1 3.37Å; F70-H144 AromaticContact CZ-NE2 3.7Å |
| 71 | E | 84.8 | Confident | 91.8 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 20% | 0.201 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -66.4 | -29.4 | 174.4 | -65.6 | 175.6 | -140.7 | 0 | 0 | 112.6 | R24 G27 H30 N69 | R24-E71 PolarHBondContact NH2-O 3.46Å; G27-E71 WeakPolarHBondContact CA-OE1 3.31Å; G27-E71 VanDerWaalsContact N-CD 3.33Å; G27-E71 PolarHBondContact N-OE1 3.33Å; H30-E71 IonicContact CD2-OE1 2.78Å; H30-E71 PolarHBondContact CD2-OE1 2.88Å; H30-E71 IonicContact CD2-OE2 3.74Å; H30-E71 IonicContact NE2-OE1 2.74Å; H30-E71 IonicContact NE2-OE2 3.16Å; N69-E71 VanDerWaalsContact OD1-CB 3.32Å; N69-E71 WeakPolarHBondContact OD1-CB 3.12Å; N69-E71 PolarHBondContact OD1-N 3.43Å |
| 72 | D | 86.8 | Confident | 91.7 | Very high | 68 Ų | 68 | 50 Ų | 50 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -99.2 | 93.6 | 165.2 | -178.1 | 2.7 | 0 | 0 | 0 | 109.3 | F70 T74 S75 K80 | F70-D72 PolarHBondContact O-N 3.31Å; D72-T74 PolarHBondContact O-N 2.82Å; D72-T74 VanDerWaalsContact O-N 3.13Å; D72-T74 PolarHBondContact OD1-N 3.14Å; D72-T74 PolarHBondContact OD1-OG1 3.42Å; D72-S75 PolarHBondContact O-N 2.97Å; D72-S75 PolarHBondContact O-OG 2.87Å; D72-S75 PolarHBondContact OD1-N 3.38Å; D72-S75 WeakPolarHBondContact OD2-CB 3.33Å; D72-K80 PolarHBondContact O-NZ 3.46Å |
| 73 | S | 82.4 | Confident | 91.8 | Very high | 95 Ų | 95 | 44.4 Ų | 44.4 | 66% | 0.664 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17 | 176.8 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 74 | T | 86.8 | Confident | 91.9 | Very high | 108 Ų | 108 | 48 Ų | 48 | 66% | 0.663 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -15.8 | -175.8 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | D72 V77 | D72-T74 PolarHBondContact O-N 2.82Å; D72-T74 VanDerWaalsContact O-N 3.13Å; D72-T74 PolarHBondContact OD1-N 3.14Å; D72-T74 PolarHBondContact OD1-OG1 3.42Å; T74-V77 WeakPolarHBondContact O-CG2 3.45Å |
| 75 | S | 90 | Very high | 91.9 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 145.2 | 176.1 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | D72 V77 K80 | D72-S75 PolarHBondContact O-N 2.97Å; D72-S75 PolarHBondContact O-OG 2.87Å; D72-S75 PolarHBondContact OD1-N 3.38Å; D72-S75 WeakPolarHBondContact OD2-CB 3.33Å; S75-V77 PolarHBondContact O-N 3.34Å; S75-K80 WeakPolarHBondContact O-CD 3.5Å; S75-K80 VanDerWaalsContact O-CE 3.3Å; S75-K80 WeakPolarHBondContact O-CE 3.18Å; S75-K80 PolarHBondContact O-NZ 3.42Å; S75-K80 PolarHBondContact OG-NZ 2.9Å; S75-K80 VanDerWaalsContact OG-NZ 3.14Å |
| 76 | D | 89.3 | Confident | 91.9 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 28.6 | 166.9 | -52.5 | -49.3 | 0 | 0 | 0 | 115.3 | T37 F68 S78 S79 K80 | T37-D76 WeakPolarHBondContact CB-OD1 3.39Å; F68-D76 HydrophobicContact CD1-CB 3.68Å; F68-D76 HydrophobicContact CE1-CB 3.94Å; D76-S78 VanDerWaalsContact C-N 3.27Å; D76-S78 PolarHBondContact O-N 3.37Å; D76-S79 PolarHBondContact O-N 3.3Å; D76-K80 HydrophobicContact CB-CG 4.49Å; D76-K80 WeakPolarHBondContact O-CB 3.19Å; D76-K80 WeakPolarHBondContact O-CG 3.24Å; D76-K80 PolarHBondContact O-N 2.98Å |
| 77 | V | 91.9 | Very high | 92.2 | Very high | 88 Ų | 88 | 47.8 Ų | 47.8 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.5 | -44.3 | -171.8 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | T74 S75 K80 E81 | T74-V77 WeakPolarHBondContact O-CG2 3.45Å; S75-V77 PolarHBondContact O-N 3.34Å; V77-K80 PolarHBondContact O-N 3.27Å; V77-E81 WeakPolarHBondContact O-CB 3.44Å; V77-E81 PolarHBondContact O-N 3.21Å |
| 78 | S | 93.3 | Very high | 92.4 | Very high | 86 Ų | 86 | 48.5 Ų | 48.5 | 60% | 0.601 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.7 | -50.4 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | D76 K80 E81 I82 | D76-S78 VanDerWaalsContact C-N 3.27Å; D76-S78 PolarHBondContact O-N 3.37Å; S78-K80 PolarHBondContact O-N 2.66Å; S78-E81 PolarHBondContact O-N 3.45Å; S78-I82 WeakPolarHBondContact O-CG1 3.46Å; S78-I82 PolarHBondContact O-N 2.92Å |
| 79 | S | 93.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 179 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | T37 E38 L39 F68 D76 E81 I82 K83 | T37-S79 VanDerWaalsContact O-CB 3.26Å; T37-S79 WeakPolarHBondContact O-CB 3.3Å; T37-S79 PolarHBondContact O-OG 3.09Å; E38-S79 WeakPolarHBondContact CA-OG 3.37Å; L39-S79 WeakPolarHBondContact CD1-O 3.49Å; L39-S79 PolarHBondContact N-OG 3.42Å; F68-S79 VanDerWaalsContact CE1-CB 3.48Å; F68-S79 VanDerWaalsContact CZ-CB 3.46Å; D76-S79 PolarHBondContact O-N 3.3Å; S79-E81 VanDerWaalsContact C-N 3.29Å; S79-E81 PolarHBondContact O-N 2.92Å; S79-I82 PolarHBondContact O-N 3.08Å; S79-K83 PolarHBondContact O-N 2.91Å |
| 80 | K | 94.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 8% | 0.078 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 173.9 | -75.3 | 170.4 | 177.5 | 163.9 | 0 | 111.1 | F68 N69 F70 D72 S75 D76 V77 S78 R84 H144 | F68-K80 HydrophobicContact CB-CD 4.39Å; F68-K80 HydrophobicContact CB-CG 3.82Å; F68-K80 HydrophobicContact CD1-CG 4.14Å; F68-K80 HydrophobicContact CD2-CG 4.09Å; F68-K80 HydrophobicContact CG-CG 3.73Å; N69-K80 WeakPolarHBondContact O-CE 3.4Å; N69-K80 PolarHBondContact O-NZ 3.42Å; F70-K80 HydrophobicContact CE1-CD 4.23Å; F70-K80 HydrophobicContact CZ-CD 4.35Å; F70-K80 HydrophobicContact CZ-CG 4.27Å; D72-K80 PolarHBondContact O-NZ 3.46Å; S75-K80 WeakPolarHBondContact O-CD 3.5Å; S75-K80 VanDerWaalsContact O-CE 3.3Å; S75-K80 WeakPolarHBondContact O-CE 3.18Å; S75-K80 PolarHBondContact O-NZ 3.42Å; S75-K80 PolarHBondContact OG-NZ 2.9Å; S75-K80 VanDerWaalsContact OG-NZ 3.14Å; D76-K80 HydrophobicContact CB-CG 4.49Å; D76-K80 WeakPolarHBondContact O-CB 3.19Å; D76-K80 WeakPolarHBondContact O-CG 3.24Å; D76-K80 PolarHBondContact O-N 2.98Å; V77-K80 PolarHBondContact O-N 3.27Å; S78-K80 PolarHBondContact O-N 2.66Å; K80-R84 WeakPolarHBondContact O-CB 3.4Å; K80-R84 PolarHBondContact O-N 2.96Å; K80-H144 PolarHBondContact O-CE1 3Å; K80-H144 PolarHBondContact O-NE2 3.45Å |
| 81 | E | 95.3 | Very high | 93.4 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 177.4 | -173.2 | 53.8 | -140.6 | 0 | 0 | 112.6 | V77 S78 S79 K83 R84 T85 | V77-E81 WeakPolarHBondContact O-CB 3.44Å; V77-E81 PolarHBondContact O-N 3.21Å; S78-E81 PolarHBondContact O-N 3.45Å; S79-E81 VanDerWaalsContact C-N 3.29Å; S79-E81 PolarHBondContact O-N 2.92Å; E81-K83 VanDerWaalsContact C-N 3.35Å; E81-K83 PolarHBondContact O-N 2.77Å; E81-R84 VanDerWaalsContact CD-CZ 3.43Å; E81-R84 WeakPolarHBondContact O-CB 3.5Å; E81-R84 PolarHBondContact O-N 2.94Å; E81-R84 IonicContact OE1-CZ 3.28Å; E81-R84 IonicContact OE1-NE 2.65Å; E81-R84 PolarHBondContact OE1-NE 2.72Å; E81-R84 IonicContact OE1-NH2 2.8Å; E81-R84 PolarHBondContact OE1-NH2 3.07Å; E81-R84 IonicContact OE2-CZ 2.85Å; E81-R84 IonicContact OE2-NE 2.87Å; E81-R84 PolarHBondContact OE2-NE 3.34Å; E81-R84 VanDerWaalsContact OE2-NE 3.07Å; E81-R84 IonicContact OE2-NH1 2.9Å; E81-R84 IonicContact OE2-NH2 3.15Å; E81-R84 PolarHBondContact OE2-NH2 3.02Å; E81-T85 PolarHBondContact O-N 3.48Å; E81-T85 PolarHBondContact O-OG1 2.88Å |
| 82 | I | 96.2 | Very high | 94 | Very high | 24 Ų | 24 | 50 Ų | 50 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 174.1 | -69.3 | 167.6 | 0 | 0 | 0 | 110.1 | L39 S78 S79 R84 T85 F86 | L39-I82 HydrophobicContact CB-CB 4.33Å; L39-I82 HydrophobicContact CB-CD1 4.46Å; L39-I82 HydrophobicContact CB-CG2 3.89Å; L39-I82 HydrophobicContact CD1-CG2 4.26Å; S78-I82 WeakPolarHBondContact O-CG1 3.46Å; S78-I82 PolarHBondContact O-N 2.92Å; S79-I82 PolarHBondContact O-N 3.08Å; I82-R84 VanDerWaalsContact C-N 3.35Å; I82-R84 PolarHBondContact O-N 3.27Å; I82-T85 WeakPolarHBondContact O-CB 3.22Å; I82-T85 PolarHBondContact O-N 3.49Å; I82-F86 HydrophobicContact CG2-CD2 4.05Å; I82-F86 HydrophobicContact CG2-CE1 4.13Å; I82-F86 HydrophobicContact CG2-CE2 3.56Å; I82-F86 HydrophobicContact CG2-CZ 3.6Å; I82-F86 WeakPolarHBondContact O-CG 3.21Å; I82-F86 PolarHBondContact O-N 3.28Å |
| 83 | K | 97.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 177.7 | -178.7 | 167.3 | 169.6 | -168.8 | 0 | 112.1 | L39 C64 V66 F68 S79 E81 T85 F86 L87 N116 H144 | L39-K83 HydrophobicContact CD1-CB 3.68Å; C64-K83 VanDerWaalsContact O-CE 3.24Å; C64-K83 WeakPolarHBondContact O-CE 3.34Å; C64-K83 PolarHBondContact O-NZ 3.36Å; V66-K83 WeakPolarHBondContact O-CD 3.45Å; V66-K83 PolarHBondContact O-NZ 3Å; F68-K83 HydrophobicContact CD2-CD 3.91Å; F68-K83 HydrophobicContact CE2-CB 4Å; F68-K83 HydrophobicContact CE2-CD 3.63Å; F68-K83 HydrophobicContact CE2-CG 4.46Å; S79-K83 PolarHBondContact O-N 2.91Å; E81-K83 VanDerWaalsContact C-N 3.35Å; E81-K83 PolarHBondContact O-N 2.77Å; K83-T85 VanDerWaalsContact C-N 3.3Å; K83-T85 PolarHBondContact O-N 3.42Å; K83-F86 PolarHBondContact O-N 2.93Å; K83-L87 HydrophobicContact CG-CD1 3.93Å; K83-L87 HydrophobicContact CG-CG 4.21Å; K83-L87 WeakPolarHBondContact O-CB 3.33Å; K83-L87 WeakPolarHBondContact O-CG 3.45Å; K83-L87 PolarHBondContact O-N 3.24Å; K83-N116 PolarHBondContact NZ-OD1 3.48Å; K83-H144 WeakPolarHBondContact CD-ND1 3.42Å |
| 84 | R | 96.9 | Very high | 95 | Very high | 108 Ų | 108 | 43.3 Ų | 43.3 | 41% | 0.408 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 176.4 | -174.9 | 178.5 | 74.7 | 171.3 | 7.7 | 111.1 | K80 E81 I82 L87 N88 Y147 | K80-R84 WeakPolarHBondContact O-CB 3.4Å; K80-R84 PolarHBondContact O-N 2.96Å; E81-R84 VanDerWaalsContact CD-CZ 3.43Å; E81-R84 WeakPolarHBondContact O-CB 3.5Å; E81-R84 PolarHBondContact O-N 2.94Å; E81-R84 IonicContact OE1-CZ 3.28Å; E81-R84 IonicContact OE1-NE 2.65Å; E81-R84 PolarHBondContact OE1-NE 2.72Å; E81-R84 IonicContact OE1-NH2 2.8Å; E81-R84 PolarHBondContact OE1-NH2 3.07Å; E81-R84 IonicContact OE2-CZ 2.85Å; E81-R84 IonicContact OE2-NE 2.87Å; E81-R84 PolarHBondContact OE2-NE 3.34Å; E81-R84 VanDerWaalsContact OE2-NE 3.07Å; E81-R84 IonicContact OE2-NH1 2.9Å; E81-R84 IonicContact OE2-NH2 3.15Å; E81-R84 PolarHBondContact OE2-NH2 3.02Å; I82-R84 VanDerWaalsContact C-N 3.35Å; I82-R84 PolarHBondContact O-N 3.27Å; R84-L87 PolarHBondContact O-N 2.99Å; R84-N88 PolarHBondContact O-N 3.34Å; R84-Y147 HydrophobicContact CG-CE2 3.91Å |
| 85 | T | 97.3 | Very high | 95.3 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | E81 I82 K83 L87 N88 E89 | E81-T85 PolarHBondContact O-N 3.48Å; E81-T85 PolarHBondContact O-OG1 2.88Å; I82-T85 WeakPolarHBondContact O-CB 3.22Å; I82-T85 PolarHBondContact O-N 3.49Å; K83-T85 VanDerWaalsContact C-N 3.3Å; K83-T85 PolarHBondContact O-N 3.42Å; T85-L87 PolarHBondContact O-N 3.44Å; T85-N88 PolarHBondContact O-N 2.95Å; T85-E89 WeakPolarHBondContact CG2-OE1 3.33Å; T85-E89 WeakPolarHBondContact O-CG 3.48Å; T85-E89 PolarHBondContact O-N 2.92Å |
| 86 | F | 97.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 177.7 | -70.4 | -10 | 0 | 0 | 0 | 112.8 | T40 L42 K60 Q63 I82 K83 N88 E89 L90 | T40-F86 WeakPolarHBondContact O-CZ 3.43Å; L42-F86 HydrophobicContact CB-CE1 3.97Å; L42-F86 HydrophobicContact CB-CZ 3.67Å; L42-F86 HydrophobicContact CD1-CE2 4.24Å; L42-F86 HydrophobicContact CD1-CZ 4.16Å; L42-F86 HydrophobicContact CG-CE2 4.33Å; L42-F86 HydrophobicContact CG-CZ 3.84Å; K60-F86 HydrophobicContact CD-CD1 4.25Å; K60-F86 HydrophobicContact CD-CG 4.45Å; K60-F86 HydrophobicContact CG-CD1 4.27Å; K60-F86 HydrophobicContact CG-CD2 4.33Å; K60-F86 HydrophobicContact CG-CG 4.16Å; Q63-F86 HydrophobicContact CB-CD2 4.29Å; Q63-F86 HydrophobicContact CB-CE2 4.19Å; I82-F86 HydrophobicContact CG2-CD2 4.05Å; I82-F86 HydrophobicContact CG2-CE1 4.13Å; I82-F86 HydrophobicContact CG2-CE2 3.56Å; I82-F86 HydrophobicContact CG2-CZ 3.6Å; I82-F86 WeakPolarHBondContact O-CG 3.21Å; I82-F86 PolarHBondContact O-N 3.28Å; K83-F86 PolarHBondContact O-N 2.93Å; F86-N88 VanDerWaalsContact C-N 3.32Å; F86-N88 PolarHBondContact O-N 3.43Å; F86-E89 PolarHBondContact O-N 3.46Å; F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 WeakPolarHBondContact O-CG 3.31Å; F86-L90 PolarHBondContact O-N 2.82Å |
| 87 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 178 | -73.2 | 171.5 | 0 | 0 | 0 | 111.5 | C64 K83 R84 T85 L90 V91 M112 H144 Y147 V148 | C64-L87 HydrophobicContact CB-CD2 3.98Å; K83-L87 HydrophobicContact CG-CD1 3.93Å; K83-L87 HydrophobicContact CG-CG 4.21Å; K83-L87 WeakPolarHBondContact O-CB 3.33Å; K83-L87 WeakPolarHBondContact O-CG 3.45Å; K83-L87 PolarHBondContact O-N 3.24Å; R84-L87 PolarHBondContact O-N 2.99Å; T85-L87 PolarHBondContact O-N 3.44Å; L87-L90 PolarHBondContact O-N 3.22Å; L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 2.92Å; L87-M112 HydrophobicContact CD2-CE 4.35Å; L87-M112 HydrophobicContact CD2-SD 4.12Å; L87-H144 HydrophobicContact CD1-CB 4.07Å; L87-Y147 HydrophobicContact CB-CG 4.2Å; L87-V148 HydrophobicContact CD1-CG2 4.02Å; L87-V148 HydrophobicContact CD2-CG2 3.8Å |
| 88 | N | 97.7 | Very high | 95.1 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 175.2 | -175.5 | 53.9 | 0 | 0 | 0 | 112 | R84 T85 F86 L90 V91 E92 Y147 | R84-N88 PolarHBondContact O-N 3.34Å; T85-N88 PolarHBondContact O-N 2.95Å; F86-N88 VanDerWaalsContact C-N 3.32Å; F86-N88 PolarHBondContact O-N 3.43Å; N88-L90 VanDerWaalsContact C-N 3.3Å; N88-L90 PolarHBondContact O-N 3.39Å; N88-V91 WeakPolarHBondContact O-CB 2.97Å; N88-V91 PolarHBondContact O-N 3.38Å; N88-E92 PolarHBondContact O-N 3.21Å; N88-Y147 HydrophobicContact CB-CD1 4.17Å; N88-Y147 HydrophobicContact CB-CE1 3.84Å |
| 89 | E | 97.1 | Very high | 94.8 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 176.6 | -72.3 | -178 | -152 | 0 | 0 | 112.7 | F45 K60 T85 F86 E92 Y93 | F45-E89 HydrophobicContact CD2-CB 4.18Å; F45-E89 HydrophobicContact CE2-CB 4.2Å; K60-E89 IonicContact NZ-OE2 2.73Å; K60-E89 PolarHBondContact NZ-OE2 2.88Å; T85-E89 WeakPolarHBondContact CG2-OE1 3.33Å; T85-E89 WeakPolarHBondContact O-CG 3.48Å; T85-E89 PolarHBondContact O-N 2.92Å; F86-E89 PolarHBondContact O-N 3.46Å; E89-E92 PolarHBondContact O-N 3.24Å; E89-Y93 WeakPolarHBondContact O-CB 3.44Å; E89-Y93 PolarHBondContact O-N 2.92Å |
| 90 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 175.2 | -71.7 | 170.3 | 0 | 0 | 0 | 111.3 | F45 F57 K60 L61 F86 L87 N88 I94 F151 | F45-L90 HydrophobicContact CZ-CD2 4.33Å; F57-L90 HydrophobicContact CD2-CD2 3.28Å; F57-L90 HydrophobicContact CE2-CD2 3.35Å; F57-L90 HydrophobicContact CG-CD2 4.36Å; F57-L90 HydrophobicContact CZ-CD2 4.49Å; K60-L90 HydrophobicContact CB-CD1 4.36Å; K60-L90 HydrophobicContact CB-CD2 3.94Å; K60-L90 HydrophobicContact CB-CG 4.3Å; L61-L90 HydrophobicContact CD2-CD1 3.94Å; L61-L90 HydrophobicContact CD2-CD2 4.26Å; L61-L90 HydrophobicContact CG-CD1 4.42Å; L61-L90 HydrophobicContact CG-CD2 4.18Å; F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 WeakPolarHBondContact O-CG 3.31Å; F86-L90 PolarHBondContact O-N 2.82Å; L87-L90 PolarHBondContact O-N 3.22Å; N88-L90 VanDerWaalsContact C-N 3.3Å; N88-L90 PolarHBondContact O-N 3.39Å; L90-I94 WeakPolarHBondContact O-CG2 3.3Å; L90-I94 PolarHBondContact O-N 2.78Å; L90-I94 VanDerWaalsContact O-N 3.1Å; L90-F151 HydrophobicContact CB-CD2 3.88Å; L90-F151 HydrophobicContact CB-CE2 3.8Å; L90-F151 WeakPolarHBondContact O-CE2 3.48Å |
| 91 | V | 97.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.5 | 172 | 0 | 0 | 0 | 0 | 110.9 | L87 N88 I94 S95 E150 F151 | L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 2.92Å; N88-V91 WeakPolarHBondContact O-CB 2.97Å; N88-V91 PolarHBondContact O-N 3.38Å; V91-I94 WeakPolarHBondContact O-CG2 3.25Å; V91-S95 VanDerWaalsContact O-CB 3.3Å; V91-S95 WeakPolarHBondContact O-CB 3.5Å; V91-S95 PolarHBondContact O-N 3.5Å; V91-S95 PolarHBondContact O-OG 3.25Å; V91-E150 HydrophobicContact CG1-CG 3.88Å; V91-E150 HydrophobicContact CG2-CB 4.43Å; V91-E150 HydrophobicContact CG2-CG 4.33Å; V91-F151 HydrophobicContact CG2-CB 3.74Å; V91-F151 HydrophobicContact CG2-CD2 4.35Å |
| 92 | E | 95.8 | Very high | 94.3 | Very high | 121 Ų | 121 | 52 Ų | 52 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.4 | -47.9 | 177.9 | -172.2 | 178.7 | -179.8 | 0 | 0 | 111.2 | N88 E89 I94 S95 V96 | N88-E92 PolarHBondContact O-N 3.21Å; E89-E92 PolarHBondContact O-N 3.24Å; E92-I94 PolarHBondContact O-N 2.85Å; E92-S95 PolarHBondContact O-N 2.8Å; E92-S95 VanDerWaalsContact O-N 3.16Å; E92-V96 HydrophobicContact CG-CG2 4.47Å; E92-V96 WeakPolarHBondContact O-CG2 3.37Å; E92-V96 PolarHBondContact O-N 2.9Å |
| 93 | Y | 95.1 | Very high | 94 | Very high | 15 Ų | 15 | 56 Ų | 56 | 6% | 0.059 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -48.2 | -177.6 | 178.6 | -101.7 | 0 | 0 | 0 | 112.5 | F45 H53 Q54 F57 E89 S95 T97 A100 | F45-Y93 HydrophobicContact CB-CD2 4.34Å; F45-Y93 AromaticContact CD1-CD2 3.74Å; F45-Y93 HydrophobicContact CD1-CD2 3.74Å; F45-Y93 AromaticContact CD1-CE2 3.94Å; F45-Y93 HydrophobicContact CD1-CE2 3.94Å; F45-Y93 HydrophobicContact CD1-CG 4.27Å; F45-Y93 HydrophobicContact CD2-CD2 4.17Å; F45-Y93 HydrophobicContact CD2-CG 4.21Å; F45-Y93 HydrophobicContact CE1-CD1 4.43Å; F45-Y93 HydrophobicContact CE1-CD2 4.03Å; F45-Y93 HydrophobicContact CE1-CE2 4.19Å; F45-Y93 HydrophobicContact CE1-CG 4.16Å; F45-Y93 HydrophobicContact CE2-CD2 4.43Å; F45-Y93 HydrophobicContact CE2-CG 4.09Å; F45-Y93 AromaticContact CG-CD2 3.83Å; F45-Y93 HydrophobicContact CG-CD2 3.83Å; F45-Y93 HydrophobicContact CG-CE2 4.44Å; F45-Y93 HydrophobicContact CG-CG 4.31Å; F45-Y93 HydrophobicContact CZ-CD1 4.32Å; F45-Y93 HydrophobicContact CZ-CD2 4.37Å; F45-Y93 HydrophobicContact CZ-CG 4.07Å; H53-Y93 HydrophobicContact CB-CE2 3.96Å; H53-Y93 WeakPolarHBondContact CB-OH 3.39Å; H53-Y93 AromaticContact ND1-CE2 3.68Å; Q54-Y93 PolarHBondContact NE2-OH 2.92Å; F57-Y93 HydrophobicContact CB-CE1 4.19Å; F57-Y93 HydrophobicContact CD1-CE1 4.4Å; F57-Y93 AromaticContact CD2-CD1 3.46Å; F57-Y93 HydrophobicContact CD2-CD1 3.46Å; F57-Y93 VanDerWaalsContact CD2-CD1 3.46Å; F57-Y93 AromaticContact CD2-CE1 3.71Å; F57-Y93 HydrophobicContact CD2-CE1 3.71Å; F57-Y93 HydrophobicContact CD2-CG 4.45Å; F57-Y93 AromaticContact CE2-CD1 3.67Å; F57-Y93 HydrophobicContact CE2-CD1 3.67Å; F57-Y93 HydrophobicContact CE2-CE1 4.14Å; F57-Y93 HydrophobicContact CG-CD1 4.12Å; F57-Y93 AromaticContact CG-CE1 3.88Å; F57-Y93 HydrophobicContact CG-CE1 3.88Å; F57-Y93 HydrophobicContact CZ-CD1 4.44Å; E89-Y93 WeakPolarHBondContact O-CB 3.44Å; E89-Y93 PolarHBondContact O-N 2.92Å; Y93-S95 VanDerWaalsContact C-N 3.27Å; Y93-S95 PolarHBondContact O-N 3.23Å; Y93-T97 VanDerWaalsContact CD2-OG1 3.31Å; Y93-T97 WeakPolarHBondContact CD2-OG1 3.47Å; Y93-T97 HydrophobicContact CE2-CG2 3.85Å; Y93-T97 WeakPolarHBondContact CE2-OG1 3.35Å; Y93-T97 WeakPolarHBondContact O-CB 3.34Å; Y93-T97 PolarHBondContact O-N 3.43Å; Y93-T97 PolarHBondContact O-OG1 3.19Å; Y93-A100 HydrophobicContact CD1-CB 4.44Å; Y93-A100 HydrophobicContact CE1-CB 3.9Å |
| 94 | I | 94.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.9 | -24.9 | -179.8 | -162.7 | 169.4 | 0 | 0 | 0 | 112.8 | L90 V91 E92 L101 F151 R154 F155 | L90-I94 WeakPolarHBondContact O-CG2 3.3Å; L90-I94 PolarHBondContact O-N 2.78Å; L90-I94 VanDerWaalsContact O-N 3.1Å; V91-I94 WeakPolarHBondContact O-CG2 3.25Å; E92-I94 PolarHBondContact O-N 2.85Å; I94-L101 HydrophobicContact CD1-CD2 3.84Å; I94-L101 HydrophobicContact CG1-CD2 4.25Å; I94-F151 HydrophobicContact CB-CE2 4.07Å; I94-F151 HydrophobicContact CD1-CE2 3.92Å; I94-F151 HydrophobicContact CD1-CZ 4.05Å; I94-F151 HydrophobicContact CG2-CD2 3.9Å; I94-F151 HydrophobicContact CG2-CE2 3.86Å; I94-R154 HydrophobicContact CG2-CB 3.8Å; I94-F155 HydrophobicContact CD1-CB 3.68Å; I94-F155 HydrophobicContact CD1-CD2 4.05Å; I94-F155 HydrophobicContact CD1-CG 4.35Å |
| 95 | S | 93.3 | Very high | 93.8 | Very high | 63 Ų | 63 | 54.9 Ų | 54.9 | 44% | 0.441 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -81 | -34.5 | -179 | -59 | 0 | 0 | 0 | 0 | 112.4 | V91 E92 Y93 R154 | V91-S95 VanDerWaalsContact O-CB 3.3Å; V91-S95 WeakPolarHBondContact O-CB 3.5Å; V91-S95 PolarHBondContact O-N 3.5Å; V91-S95 PolarHBondContact O-OG 3.25Å; E92-S95 PolarHBondContact O-N 2.8Å; E92-S95 VanDerWaalsContact O-N 3.16Å; Y93-S95 VanDerWaalsContact C-N 3.27Å; Y93-S95 PolarHBondContact O-N 3.23Å; S95-R154 WeakPolarHBondContact OG-CG 3.49Å |
| 96 | V | 91.6 | Very high | 93.7 | Very high | 115 Ų | 115 | 52.3 Ų | 52.3 | 70% | 0.697 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -101.5 | -32.3 | -173.1 | -178.4 | 0 | 0 | 0 | 0 | 112.7 | E92 | E92-V96 HydrophobicContact CG-CG2 4.47Å; E92-V96 WeakPolarHBondContact O-CG2 3.37Å; E92-V96 PolarHBondContact O-N 2.9Å |
| 97 | T | 90.4 | Very high | 93.7 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -86.5 | 118.3 | -170.9 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | Y93 A100 | Y93-T97 VanDerWaalsContact CD2-OG1 3.31Å; Y93-T97 WeakPolarHBondContact CD2-OG1 3.47Å; Y93-T97 HydrophobicContact CE2-CG2 3.85Å; Y93-T97 WeakPolarHBondContact CE2-OG1 3.35Å; Y93-T97 WeakPolarHBondContact O-CB 3.34Å; Y93-T97 PolarHBondContact O-N 3.43Å; Y93-T97 PolarHBondContact O-OG1 3.19Å; T97-A100 HydrophobicContact CG2-CB 4.43Å; T97-A100 WeakPolarHBondContact O-CB 3.39Å | ||
| 98 | R | 86.3 | Confident | 93.6 | Very high | 222 Ų | 222 | 58.6 Ų | 58.6 | 84% | 0.838 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 144.1 | 172.3 | -64.9 | -174.2 | -179.7 | -174.6 | 0.1 | 111.1 | A100 | R98-A100 PolarHBondContact O-N 3.46Š|
| 99 | N | 86.5 | Confident | 93.7 | Very high | 124 Ų | 124 | 55.1 Ų | 55.1 | 66% | 0.663 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 27.3 | -178.3 | -57.2 | -52.9 | 0 | 0 | 0 | 113.6 | L101 D160 | N99-L101 PolarHBondContact O-N 3.27Å; N99-D160 WeakPolarHBondContact CA-OD2 3.49Å; N99-D160 PolarHBondContact N-OD2 2.95Å |
| 100 | A | 89.8 | Confident | 93.7 | Very high | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | trans | -61.1 | -26 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q54 Y93 T97 R98 | Q54-A100 PolarHBondContact NE2-O 3.33Å; Q54-A100 VanDerWaalsContact NE2-O 3.08Å; Y93-A100 HydrophobicContact CD1-CB 4.44Å; Y93-A100 HydrophobicContact CE1-CB 3.9Å; T97-A100 HydrophobicContact CG2-CB 4.43Å; T97-A100 WeakPolarHBondContact O-CB 3.39Å; R98-A100 PolarHBondContact O-N 3.46Å | ||
| 101 | L | 93.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | trans | -100 | 86.4 | -174 | -58.1 | -177.1 | 0 | 0 | 0 | 112.8 | I94 N99 V105 Y106 I109 F155 D160 F161 | I94-L101 HydrophobicContact CD1-CD2 3.84Å; I94-L101 HydrophobicContact CG1-CD2 4.25Å; N99-L101 PolarHBondContact O-N 3.27Å; L101-V105 HydrophobicContact CD2-CG2 4.22Å; L101-Y106 HydrophobicContact CB-CE2 4.44Å; L101-I109 HydrophobicContact CD2-CD1 3.76Å; L101-F155 HydrophobicContact CD1-CD2 3.77Å; L101-F155 HydrophobicContact CD1-CE2 4Å; L101-F155 HydrophobicContact CD2-CD2 3.77Å; L101-F155 HydrophobicContact CD2-CE2 3.93Å; L101-F155 HydrophobicContact CG-CD2 4.44Å; L101-D160 HydrophobicContact CB-CB 4.48Å; L101-F161 HydrophobicContact CD1-CB 4.35Å | ||
| 102 | N | 90.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 56 Ų | 56 | 31% | 0.31 | 29% | 0.294 | S | S | . | . | trans | -89.2 | 172.2 | 164.2 | 62.8 | 30.6 | 0 | 0 | 0 | 111.1 | Q54 S104 V105 Y106 | Q54-N102 PolarHBondContact OE1-ND2 3.46Å; N102-S104 VanDerWaalsContact C-N 3.27Å; N102-S104 PolarHBondContact O-N 2.94Å; N102-S104 PolarHBondContact OD1-N 3.25Å; N102-S104 PolarHBondContact OD1-OG 3.48Å; N102-V105 VanDerWaalsContact O-CG2 3.23Å; N102-V105 WeakPolarHBondContact O-CG2 3.42Å; N102-V105 PolarHBondContact O-N 2.98Å; N102-V105 WeakPolarHBondContact OD1-CG1 3.34Å; N102-V105 PolarHBondContact OD1-N 2.93Å; N102-Y106 WeakPolarHBondContact O-CD2 3.35Å; N102-Y106 VanDerWaalsContact O-CE2 3.28Å; N102-Y106 WeakPolarHBondContact O-CE2 3.37Å | ||
| 103 | E | 89.5 | Confident | 93.8 | Very high | 109 Ų | 109 | 50.3 Ų | 50.3 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -63.3 | -30.3 | -176.8 | -168.8 | 171.2 | -176 | 0 | 0 | 113.1 | V105 A165 K168 | E103-V105 VanDerWaalsContact C-N 3.33Å; E103-V105 PolarHBondContact O-N 3.48Å; E103-A165 HydrophobicContact CG-CB 4.45Å; E103-K168 IonicContact OE1-NZ 3.39Å; E103-K168 PolarHBondContact OE1-NZ 3.5Å |
| 104 | S | 92.8 | Very high | 93.9 | Very high | 86 Ų | 86 | 50.6 Ų | 50.6 | 60% | 0.601 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -73.2 | -21 | -175.2 | 62.7 | 0 | 0 | 0 | 0 | 114 | N102 P108 | N102-S104 VanDerWaalsContact C-N 3.27Å; N102-S104 PolarHBondContact O-N 2.94Å; N102-S104 PolarHBondContact OD1-N 3.25Å; N102-S104 PolarHBondContact OD1-OG 3.48Å; S104-P108 VanDerWaalsContact O-CD 3.24Å; S104-P108 WeakPolarHBondContact O-CD 3.38Å |
| 105 | V | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -87.3 | -15.3 | -179.8 | -61.7 | 0 | 0 | 0 | 0 | 114.2 | F57 V58 L101 N102 E103 Q107 P108 I109 | F57-V105 HydrophobicContact CD1-CB 4.26Å; F57-V105 HydrophobicContact CD1-CG1 3.78Å; F57-V105 HydrophobicContact CE1-CB 3.98Å; F57-V105 HydrophobicContact CE1-CG1 4.01Å; F57-V105 HydrophobicContact CE1-CG2 4.29Å; V58-V105 HydrophobicContact CG2-CG1 3.96Å; L101-V105 HydrophobicContact CD2-CG2 4.22Å; N102-V105 VanDerWaalsContact O-CG2 3.23Å; N102-V105 WeakPolarHBondContact O-CG2 3.42Å; N102-V105 PolarHBondContact O-N 2.98Å; N102-V105 WeakPolarHBondContact OD1-CG1 3.34Å; N102-V105 PolarHBondContact OD1-N 2.93Å; E103-V105 VanDerWaalsContact C-N 3.33Å; E103-V105 PolarHBondContact O-N 3.48Å; V105-Q107 PolarHBondContact O-N 2.88Å; V105-P108 WeakPolarHBondContact O-CD 3.18Å; V105-I109 HydrophobicContact CB-CD1 4.16Å; V105-I109 HydrophobicContact CG2-CD1 3.98Å; V105-I109 WeakPolarHBondContact O-CB 3.32Å; V105-I109 WeakPolarHBondContact O-CG1 3.5Å; V105-I109 PolarHBondContact O-N 3.21Å |
| 106 | Y | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | -177.7 | -80.9 | -98.6 | 0 | 0 | 0 | 112.5 | L101 N102 I109 V110 F155 F161 Q162 A165 A166 | L101-Y106 HydrophobicContact CB-CE2 4.44Å; N102-Y106 WeakPolarHBondContact O-CD2 3.35Å; N102-Y106 VanDerWaalsContact O-CE2 3.28Å; N102-Y106 WeakPolarHBondContact O-CE2 3.37Å; Y106-I109 PolarHBondContact O-N 3.27Å; Y106-V110 WeakPolarHBondContact O-CG2 3.45Å; Y106-V110 PolarHBondContact O-N 3Å; Y106-F155 HydrophobicContact CD1-CE2 4.02Å; Y106-F155 AromaticContact CD1-CZ 3.57Å; Y106-F155 HydrophobicContact CD1-CZ 3.57Å; Y106-F155 AromaticContact CE1-CE2 3.8Å; Y106-F155 HydrophobicContact CE1-CE2 3.8Å; Y106-F155 AromaticContact CE1-CZ 3.66Å; Y106-F155 HydrophobicContact CE1-CZ 3.66Å; Y106-F155 HydrophobicContact CG-CZ 4.43Å; Y106-F161 HydrophobicContact CE1-CD2 4.12Å; Y106-F161 AromaticContact CE1-CE2 4Å; Y106-F161 HydrophobicContact CE1-CE2 4Å; Y106-Q162 PolarHBondContact OH-N 3.39Å; Y106-A165 HydrophobicContact CD1-CB 4.36Å; Y106-A165 HydrophobicContact CD2-CB 4.14Å; Y106-A165 HydrophobicContact CE1-CB 4.25Å; Y106-A165 HydrophobicContact CE2-CB 4.03Å; Y106-A165 HydrophobicContact CG-CB 4.33Å; Y106-A166 HydrophobicContact CD1-CB 3.68Å; Y106-A166 HydrophobicContact CE1-CB 3.72Å |
| 107 | Q | 96.7 | Very high | 94.4 | Very high | 108 Ų | 108 | 44.3 Ų | 44.3 | 51% | 0.505 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.6 | -49.7 | 179 | 178.1 | -179.6 | -6.1 | 0 | 0 | 112.6 | V105 I109 V110 S111 Y169 | V105-Q107 PolarHBondContact O-N 2.88Å; Q107-I109 VanDerWaalsContact C-N 3.32Å; Q107-I109 PolarHBondContact O-N 2.88Å; Q107-V110 PolarHBondContact O-N 3.45Å; Q107-S111 VanDerWaalsContact O-CB 3.25Å; Q107-S111 WeakPolarHBondContact O-CB 3.28Å; Q107-S111 PolarHBondContact O-N 3.34Å; Q107-S111 PolarHBondContact O-OG 2.86Å; Q107-Y169 HydrophobicContact CB-CD1 4.04Å; Q107-Y169 HydrophobicContact CB-CE1 3.53Å; Q107-Y169 HydrophobicContact CB-CE2 4.27Å; Q107-Y169 HydrophobicContact CG-CD1 4.24Å; Q107-Y169 HydrophobicContact CG-CE1 3.87Å |
| 108 | P | 97.3 | Very high | 94.7 | Very high | 27 Ų | 27 | 43 Ų | 43 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.8 | -43.4 | 172.8 | -29.1 | 34.2 | 0 | 0 | 0 | 113.8 | V58 L61 S104 V105 S111 M112 | V58-P108 HydrophobicContact CG1-CG 4.27Å; L61-P108 HydrophobicContact CB-CB 4.39Å; L61-P108 HydrophobicContact CD1-CB 3.94Å; S104-P108 VanDerWaalsContact O-CD 3.24Å; S104-P108 WeakPolarHBondContact O-CD 3.38Å; V105-P108 WeakPolarHBondContact O-CD 3.18Å; P108-S111 PolarHBondContact O-N 3.43Å; P108-M112 WeakPolarHBondContact O-CB 3.46Å; P108-M112 PolarHBondContact O-N 3.28Å |
| 109 | I | 98 | Very high | 95 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -55.1 | 178.2 | -74.4 | 170 | 0 | 0 | 0 | 110.7 | F57 L61 L101 V105 Y106 Q107 S111 M112 I113 F151 F155 | F57-I109 HydrophobicContact CE1-CD1 4Å; F57-I109 HydrophobicContact CE1-CG1 4.27Å; F57-I109 HydrophobicContact CZ-CD1 4.11Å; F57-I109 HydrophobicContact CZ-CG1 4.31Å; L61-I109 HydrophobicContact CD1-CG1 3.66Å; L61-I109 HydrophobicContact CD2-CG1 4.28Å; L101-I109 HydrophobicContact CD2-CD1 3.76Å; V105-I109 HydrophobicContact CB-CD1 4.16Å; V105-I109 HydrophobicContact CG2-CD1 3.98Å; V105-I109 WeakPolarHBondContact O-CB 3.32Å; V105-I109 WeakPolarHBondContact O-CG1 3.5Å; V105-I109 PolarHBondContact O-N 3.21Å; Y106-I109 PolarHBondContact O-N 3.27Å; Q107-I109 VanDerWaalsContact C-N 3.32Å; Q107-I109 PolarHBondContact O-N 2.88Å; I109-S111 VanDerWaalsContact C-N 3.26Å; I109-S111 PolarHBondContact O-N 3.33Å; I109-M112 PolarHBondContact O-N 3.34Å; I109-I113 HydrophobicContact CG2-CD1 3.66Å; I109-I113 WeakPolarHBondContact O-CD1 3.4Å; I109-I113 WeakPolarHBondContact O-CG1 3.37Å; I109-I113 PolarHBondContact O-N 3.02Å; I109-F151 HydrophobicContact CB-CE1 4.46Å; I109-F151 HydrophobicContact CD1-CZ 4.42Å; I109-F151 HydrophobicContact CG1-CE1 4.12Å; I109-F151 HydrophobicContact CG1-CZ 4.08Å; I109-F151 HydrophobicContact CG2-CE1 3.9Å; I109-F155 HydrophobicContact CD1-CD2 3.91Å; I109-F155 HydrophobicContact CD1-CE2 3.81Å; I109-F155 HydrophobicContact CD1-CZ 4.48Å; I109-F155 HydrophobicContact CG2-CD1 3.72Å; I109-F155 HydrophobicContact CG2-CD2 4.1Å; I109-F155 HydrophobicContact CG2-CE1 3.7Å; I109-F155 HydrophobicContact CG2-CE2 4.1Å; I109-F155 HydrophobicContact CG2-CG 3.9Å; I109-F155 HydrophobicContact CG2-CZ 3.88Å |
| 110 | V | 97.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64 | -35.8 | -177 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | Y106 Q107 I113 A114 F155 I170 F174 | Y106-V110 WeakPolarHBondContact O-CG2 3.45Å; Y106-V110 PolarHBondContact O-N 3Å; Q107-V110 PolarHBondContact O-N 3.45Å; V110-I113 PolarHBondContact O-N 3.07Å; V110-A114 WeakPolarHBondContact O-CB 3.21Å; V110-A114 PolarHBondContact O-N 3.32Å; V110-F155 HydrophobicContact CG2-CE1 4.47Å; V110-I170 HydrophobicContact CG2-CD1 4.47Å; V110-I170 HydrophobicContact CG2-CG1 4.09Å; V110-F174 HydrophobicContact CG1-CD2 3.9Å; V110-F174 HydrophobicContact CG1-CE2 3.64Å |
| 111 | S | 97.2 | Very high | 95.2 | Very high | 51 Ų | 51 | 34.1 Ų | 34.1 | 36% | 0.357 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.1 | -44.7 | 176 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | Q107 P108 I109 I113 A114 C115 | Q107-S111 VanDerWaalsContact O-CB 3.25Å; Q107-S111 WeakPolarHBondContact O-CB 3.28Å; Q107-S111 PolarHBondContact O-N 3.34Å; Q107-S111 PolarHBondContact O-OG 2.86Å; P108-S111 PolarHBondContact O-N 3.43Å; I109-S111 VanDerWaalsContact C-N 3.26Å; I109-S111 PolarHBondContact O-N 3.33Å; S111-I113 PolarHBondContact O-N 3.2Å; S111-A114 PolarHBondContact O-N 2.98Å; S111-C115 VanDerWaalsContact O-CB 3.25Å; S111-C115 WeakPolarHBondContact O-CB 3.25Å; S111-C115 PolarHBondContact O-N 3.13Å; S111-C115 PolarHBondContact O-SG 3.34Å |
| 112 | M | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.9 | -174.6 | -77.4 | -73.4 | 0 | 0 | 111 | L61 C64 L87 P108 I109 N116 V148 F151 | L61-M112 HydrophobicContact CD2-CB 4.11Å; L61-M112 HydrophobicContact CD2-CE 3.75Å; L61-M112 HydrophobicContact CD2-CG 4.14Å; L61-M112 WeakPolarHBondContact O-CG 3.34Å; C64-M112 HydrophobicContact CB-CG 3.7Å; C64-M112 HydrophobicContact CB-SD 4.19Å; L87-M112 HydrophobicContact CD2-CE 4.35Å; L87-M112 HydrophobicContact CD2-SD 4.12Å; P108-M112 WeakPolarHBondContact O-CB 3.46Å; P108-M112 PolarHBondContact O-N 3.28Å; I109-M112 PolarHBondContact O-N 3.34Å; M112-N116 PolarHBondContact O-N 2.65Å; M112-N116 PolarHBondContact O-ND2 2.87Å; M112-V148 HydrophobicContact SD-CG1 4.4Å; M112-V148 HydrophobicContact SD-CG2 4.26Å; M112-F151 HydrophobicContact CE-CD1 3.38Å; M112-F151 HydrophobicContact CE-CE1 3.57Å; M112-F151 HydrophobicContact CE-CG 4.16Å; M112-F151 HydrophobicContact CE-CZ 4.5Å |
| 113 | I | 98.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -56.4 | 176.7 | -67.4 | 160.3 | 0 | 0 | 0 | 110.2 | I109 V110 S111 C115 N116 I117 F152 F155 F174 | I109-I113 HydrophobicContact CG2-CD1 3.66Å; I109-I113 WeakPolarHBondContact O-CD1 3.4Å; I109-I113 WeakPolarHBondContact O-CG1 3.37Å; I109-I113 PolarHBondContact O-N 3.02Å; V110-I113 PolarHBondContact O-N 3.07Å; S111-I113 PolarHBondContact O-N 3.2Å; I113-C115 VanDerWaalsContact C-N 3.3Å; I113-C115 PolarHBondContact O-N 3.01Å; I113-N116 PolarHBondContact O-N 3.44Å; I113-I117 HydrophobicContact CG2-CD1 3.59Å; I113-I117 HydrophobicContact CG2-CG1 4.18Å; I113-I117 WeakPolarHBondContact O-CG1 3.47Å; I113-I117 PolarHBondContact O-N 3.47Å; I113-F152 HydrophobicContact CD1-CB 3.93Å; I113-F152 HydrophobicContact CD1-CD1 4.38Å; I113-F152 HydrophobicContact CD1-CD2 3.52Å; I113-F152 HydrophobicContact CD1-CE2 4.05Å; I113-F152 HydrophobicContact CD1-CG 3.7Å; I113-F152 HydrophobicContact CG1-CB 4.25Å; I113-F152 HydrophobicContact CG1-CG 4.31Å; I113-F152 HydrophobicContact CG2-CD1 3.64Å; I113-F152 HydrophobicContact CG2-CE1 3.86Å; I113-F152 HydrophobicContact CG2-CG 4.06Å; I113-F152 HydrophobicContact CG2-CZ 4.47Å; I113-F155 HydrophobicContact CD1-CD1 4.5Å; I113-F174 HydrophobicContact CG2-CZ 4.23Å |
| 114 | A | 97.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 35 Ų | 35 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.8 | -40.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V110 S111 N116 F118 F174 | V110-A114 WeakPolarHBondContact O-CB 3.21Å; V110-A114 PolarHBondContact O-N 3.32Å; S111-A114 PolarHBondContact O-N 2.98Å; A114-N116 VanDerWaalsContact C-N 3.25Å; A114-N116 PolarHBondContact O-N 3.48Å; A114-F118 HydrophobicContact CB-CD2 3.55Å; A114-F118 HydrophobicContact CB-CE2 3.62Å; A114-F118 WeakPolarHBondContact O-CB 3.47Å; A114-F118 PolarHBondContact O-N 2.83Å; A114-F174 HydrophobicContact CB-CE2 4.24Å |
| 115 | C | 95.7 | Very high | 92.3 | Very high | 41 Ų | 41 | 35.6 Ų | 35.6 | 28% | 0.277 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.1 | -33.1 | 176.3 | -78.7 | 0 | 0 | 0 | 0 | 112.1 | R32 C65 V67 S111 I113 | R32-C115 PolarHBondContact NH1-O 3.43Å; R32-C115 PolarHBondContact NH2-O 3.22Å; C65-C115 HydrophobicContact CB-CB 4.32Å; V67-C115 WeakPolarHBondContact CG2-O 3.28Å; S111-C115 VanDerWaalsContact O-CB 3.25Å; S111-C115 WeakPolarHBondContact O-CB 3.25Å; S111-C115 PolarHBondContact O-N 3.13Å; S111-C115 PolarHBondContact O-SG 3.34Å; I113-C115 VanDerWaalsContact C-N 3.3Å; I113-C115 PolarHBondContact O-N 3.01Å |
| 116 | N | 97.1 | Very high | 91.1 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -88.8 | -43.4 | -177 | -78.1 | -77.7 | 0 | 0 | 0 | 113.1 | C64 K83 M112 I113 A114 L145 V148 | C64-N116 PolarHBondContact O-ND2 2.99Å; K83-N116 PolarHBondContact NZ-OD1 3.48Å; M112-N116 PolarHBondContact O-N 2.65Å; M112-N116 PolarHBondContact O-ND2 2.87Å; I113-N116 PolarHBondContact O-N 3.44Å; A114-N116 VanDerWaalsContact C-N 3.25Å; A114-N116 PolarHBondContact O-N 3.48Å; N116-L145 HydrophobicContact CB-CD2 4.44Å; N116-L145 WeakPolarHBondContact O-CD2 3.4Å; N116-V148 HydrophobicContact CB-CB 4.41Å; N116-V148 HydrophobicContact CB-CG1 3.9Å; N116-V148 HydrophobicContact CB-CG2 3.89Å |
| 117 | I | 96.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -87.6 | -38.4 | -171.1 | 72 | 178.8 | 0 | 0 | 0 | 113 | I113 R119 V148 Y149 F152 L178 L181 | I113-I117 HydrophobicContact CG2-CD1 3.59Å; I113-I117 HydrophobicContact CG2-CG1 4.18Å; I113-I117 WeakPolarHBondContact O-CG1 3.47Å; I113-I117 PolarHBondContact O-N 3.47Å; I117-R119 PolarHBondContact O-N 2.8Å; I117-R119 VanDerWaalsContact O-N 3.14Å; I117-R119 PolarHBondContact O-NH1 3.07Å; I117-R119 VanDerWaalsContact O-NH1 3.11Å; I117-V148 HydrophobicContact CG2-CG1 3.77Å; I117-Y149 HydrophobicContact CB-CE1 4.47Å; I117-Y149 HydrophobicContact CD1-CE1 4.46Å; I117-Y149 HydrophobicContact CG2-CD1 4.49Å; I117-Y149 HydrophobicContact CG2-CE1 3.97Å; I117-Y149 HydrophobicContact CG2-CE2 4.19Å; I117-F152 HydrophobicContact CD1-CE1 4.48Å; I117-L178 HydrophobicContact CD1-CD1 3.78Å; I117-L181 HydrophobicContact CB-CD1 4.01Å; I117-L181 HydrophobicContact CD1-CD1 4.32Å; I117-L181 HydrophobicContact CG1-CD1 4.07Å; I117-L181 WeakPolarHBondContact O-CD1 3.48Å; I117-L181 WeakPolarHBondContact O-CD2 3.32Å |
| 118 | F | 96.6 | Very high | 88.5 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | trans | -79.2 | 106 | -174.4 | -59.2 | -35.6 | 0 | 0 | 0 | 111 | R32 A114 F174 Q177 L178 L181 | R32-F118 PolarHBondContact NH2-O 2.73Å; R32-F118 VanDerWaalsContact NH2-O 3.14Å; A114-F118 HydrophobicContact CB-CD2 3.55Å; A114-F118 HydrophobicContact CB-CE2 3.62Å; A114-F118 WeakPolarHBondContact O-CB 3.47Å; A114-F118 PolarHBondContact O-N 2.83Å; F118-F174 AromaticContact CE2-CD2 3.55Å; F118-F174 HydrophobicContact CE2-CD2 3.55Å; F118-F174 AromaticContact CE2-CE2 3.53Å; F118-F174 HydrophobicContact CE2-CE2 3.53Å; F118-F174 HydrophobicContact CE2-CG 4.14Å; F118-F174 HydrophobicContact CE2-CZ 4.12Å; F118-F174 HydrophobicContact CZ-CD1 4.02Å; F118-F174 AromaticContact CZ-CD2 3.69Å; F118-F174 HydrophobicContact CZ-CD2 3.69Å; F118-F174 AromaticContact CZ-CE1 3.9Å; F118-F174 HydrophobicContact CZ-CE1 3.9Å; F118-F174 AromaticContact CZ-CE2 3.56Å; F118-F174 HydrophobicContact CZ-CE2 3.56Å; F118-F174 AromaticContact CZ-CG 3.91Å; F118-F174 HydrophobicContact CZ-CG 3.91Å; F118-F174 AromaticContact CZ-CZ 3.67Å; F118-F174 HydrophobicContact CZ-CZ 3.67Å; F118-Q177 HydrophobicContact CD1-CB 3.6Å; F118-Q177 HydrophobicContact CD2-CB 4.18Å; F118-Q177 HydrophobicContact CE1-CB 3.65Å; F118-Q177 HydrophobicContact CE2-CB 4.2Å; F118-Q177 HydrophobicContact CG-CB 3.91Å; F118-Q177 HydrophobicContact CZ-CB 3.95Å; F118-L178 HydrophobicContact CE1-CB 4.07Å; F118-L178 HydrophobicContact CE1-CD1 4.27Å; F118-L178 HydrophobicContact CZ-CB 4.49Å; F118-L181 HydrophobicContact CD1-CD1 3.93Å; F118-L181 HydrophobicContact CE1-CD1 4.28Å | ||
| 119 | R | 93.3 | Very high | 87.2 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | trans | -149.8 | 150.9 | -178.1 | 65.3 | -157.2 | -165.7 | -75 | -4.2 | 109.5 | S28 I117 L121 E139 E189 | S28-R119 WeakPolarHBondContact OG-CD 3.47Å; S28-R119 PolarHBondContact OG-NE 3.31Å; I117-R119 PolarHBondContact O-N 2.8Å; I117-R119 VanDerWaalsContact O-N 3.14Å; I117-R119 PolarHBondContact O-NH1 3.07Å; I117-R119 VanDerWaalsContact O-NH1 3.11Å; R119-L121 PolarHBondContact O-N 3.43Å; R119-E139 IonicContact CZ-OE2 3.75Å; R119-E139 IonicContact NE-OE2 3.23Å; R119-E139 PolarHBondContact NE-OE2 3.37Å; R119-E139 VanDerWaalsContact NE-OE2 3.16Å; R119-E139 IonicContact NH2-OE2 3.79Å; R119-E139 PolarHBondContact NH2-OE2 2.93Å; R119-E189 IonicContact CZ-OE1 3.71Å; R119-E189 IonicContact CZ-OE2 3.62Å; R119-E189 IonicContact NH1-OE1 3.9Å; R119-E189 PolarHBondContact NH1-OE1 3.28Å; R119-E189 IonicContact NH1-OE2 3.58Å; R119-E189 IonicContact NH2-OE1 3.96Å; R119-E189 PolarHBondContact NH2-OE1 3.06Å; R119-E189 IonicContact NH2-OE2 3.04Å; R119-E189 PolarHBondContact NH2-OE2 3.02Å | ||
| 120 | P | 90.7 | Very high | 86 | Confident | 80 Ų | 80 | 47 Ų | 47 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -60 | 130.1 | 167.1 | -18.4 | 31.6 | 0 | 0 | 0 | 109.3 | S28 | S28-P120 WeakPolarHBondContact CB-O 3.44Š|
| 121 | L | 90.2 | Very high | 84.7 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 145.6 | 172.9 | -65.7 | 173 | 0 | 0 | 0 | 109.7 | R119 E180 L181 D183 | R119-L121 PolarHBondContact O-N 3.43Å; L121-E180 WeakPolarHBondContact CD1-O 3.48Å; L121-L181 HydrophobicContact CD2-CD2 4.18Å; L121-D183 VanDerWaalsContact CD1-C 3.41Å; L121-D183 HydrophobicContact CD1-CB 3.7Å |
| 122 | P | 84.2 | Confident | 83.5 | Confident | 40 Ų | 40 | 53 Ų | 53 | 26% | 0.26 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 149.4 | 177.3 | 31.1 | -37.4 | 0 | 0 | 0 | 110.5 | Q26 | Q26-P122 WeakPolarHBondContact O-CB 3.46Š|
| 123 | P | 78.9 | Confident | 82.5 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 140.7 | 174.8 | 27.9 | -33.4 | 0 | 0 | 0 | 109.7 | D125 | P123-D125 PolarHBondContact O-N 2.89Š|
| 124 | S | 75.7 | Confident | 81.6 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 122.1 | 174.3 | -165.5 | 0 | 0 | 0 | 0 | 110 | N126 E185 | S124-N126 VanDerWaalsContact C-N 3.32Å; S124-E185 WeakPolarHBondContact CA-OE1 3.36Å; S124-E185 VanDerWaalsContact CB-OE1 3.27Å; S124-E185 WeakPolarHBondContact CB-OE1 3.5Å; S124-E185 PolarHBondContact OG-OE1 3.24Å |
| 125 | D | 67.3 | Low | 80.9 | Confident | 98 Ų | 98 | 69.8 Ų | 69.8 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -81.9 | -11.3 | -176.6 | -80.2 | -35.1 | 0 | 0 | 0 | 112.7 | P123 | P123-D125 PolarHBondContact O-N 2.89Š|
| 126 | N | 70.5 | Confident | 80.3 | Confident | 38 Ų | 38 | 70.4 Ų | 70.4 | 20% | 0.203 | 39% | 0.389 | C | S | . | . | trans | -126.4 | 94.5 | -178.6 | -166 | 16.9 | 0 | 0 | 0 | 112.1 | S124 D128 F129 D134 | S124-N126 VanDerWaalsContact C-N 3.32Å; N126-D128 PolarHBondContact O-N 3.48Å; N126-D128 PolarHBondContact OD1-N 3.11Å; N126-F129 HydrophobicContact CB-CB 4.11Å; N126-F129 WeakPolarHBondContact ND2-CA 3.26Å; N126-F129 VanDerWaalsContact O-CB 3.27Å; N126-F129 WeakPolarHBondContact O-CB 3.41Å; N126-F129 PolarHBondContact O-N 3.16Å; N126-F129 VanDerWaalsContact O-N 3.1Å; N126-D134 PolarHBondContact ND2-OD2 3.38Å | ||
| 127 | P | 67.7 | Low | 79.8 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 60% | 0.597 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.9 | 177.3 | 26.5 | -33.5 | 0 | 0 | 0 | 113.6 | ||
| 128 | D | 70.1 | Confident | 79.5 | Confident | 132 Ų | 132 | 77.2 Ų | 77.2 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 23.7 | 175.7 | -56.6 | -47.3 | 0 | 0 | 0 | 111.1 | N126 D130 | N126-D128 PolarHBondContact O-N 3.48Å; N126-D128 PolarHBondContact OD1-N 3.11Å; D128-D130 PolarHBondContact O-N 3.4Å; D128-D130 VanDerWaalsContact O-N 3.14Å |
| 129 | F | 70.3 | Confident | 79.2 | Confident | 57 Ų | 57 | 77.4 Ų | 77.4 | 25% | 0.25 | 43% | 0.426 | C | S | . | . | trans | -55.3 | 120.6 | 177.7 | -178.3 | -99.3 | 0 | 0 | 0 | 109.8 | N126 P131 D134 | N126-F129 HydrophobicContact CB-CB 4.11Å; N126-F129 WeakPolarHBondContact ND2-CA 3.26Å; N126-F129 VanDerWaalsContact O-CB 3.27Å; N126-F129 WeakPolarHBondContact O-CB 3.41Å; N126-F129 PolarHBondContact O-N 3.16Å; N126-F129 VanDerWaalsContact O-N 3.1Å; F129-P131 HydrophobicContact CD1-CB 4.42Å; F129-P131 HydrophobicContact CD1-CG 3.79Å; F129-P131 HydrophobicContact CE1-CB 3.88Å; F129-P131 HydrophobicContact CE1-CG 3.73Å; F129-P131 WeakPolarHBondContact O-CD 3.46Å; F129-D134 WeakPolarHBondContact CA-OD2 3.49Å; F129-D134 HydrophobicContact CD2-CB 3.39Å; F129-D134 HydrophobicContact CE2-CB 3.21Å; F129-D134 HydrophobicContact CG-CB 4.3Å; F129-D134 HydrophobicContact CZ-CB 3.99Å | ||
| 130 | D | 74 | Confident | 79.2 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 31% | 0.305 | 44% | 0.437 | S | S | . | . | trans | -99 | 108.2 | 170.4 | -169.3 | -22.4 | 0 | 0 | 0 | 108.2 | D128 E132 E133 D134 | D128-D130 PolarHBondContact O-N 3.4Å; D128-D130 VanDerWaalsContact O-N 3.14Å; D130-E132 PolarHBondContact O-N 3.26Å; D130-E132 WeakPolarHBondContact OD1-CB 3.27Å; D130-E132 PolarHBondContact OD1-N 3.33Å; D130-E133 HydrophobicContact CB-CB 4.12Å; D130-E133 HydrophobicContact CB-CG 4.31Å; D130-E133 PolarHBondContact O-N 2.72Å; D130-D134 PolarHBondContact N-OD2 3.35Å; D130-D134 WeakPolarHBondContact O-CB 3.39Å; D130-D134 PolarHBondContact O-N 2.71Å | ||
| 131 | P | 69.3 | Low | 79.4 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 45% | 0.448 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -17.2 | 178.7 | -23.5 | 36.4 | 0 | 0 | 0 | 114.1 | F129 T273 | F129-P131 HydrophobicContact CD1-CB 4.42Å; F129-P131 HydrophobicContact CD1-CG 3.79Å; F129-P131 HydrophobicContact CE1-CB 3.88Å; F129-P131 HydrophobicContact CE1-CG 3.73Å; F129-P131 WeakPolarHBondContact O-CD 3.46Å; P131-T273 HydrophobicContact CB-CG2 3.68Å; P131-T273 HydrophobicContact CG-CG2 3.73Å |
| 132 | E | 72 | Confident | 79.7 | Confident | 117 Ų | 117 | 74.4 Ų | 74.4 | 55% | 0.547 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -26.4 | 174 | -59.5 | -161.3 | 105.9 | 0 | 0 | 113 | D130 Q310 | D130-E132 PolarHBondContact O-N 3.26Å; D130-E132 WeakPolarHBondContact OD1-CB 3.27Å; D130-E132 PolarHBondContact OD1-N 3.33Å; E132-Q310 PolarHBondContact OE2-NE2 3.42Å |
| 133 | E | 77.1 | Confident | 80.2 | Confident | 162 Ų | 162 | 75.4 Ų | 75.4 | 76% | 0.757 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -30.3 | -173.9 | -58.2 | -167 | 163.7 | 0 | 0 | 114.4 | D130 | D130-E133 HydrophobicContact CB-CB 4.12Å; D130-E133 HydrophobicContact CB-CG 4.31Å; D130-E133 PolarHBondContact O-N 2.72Å |
| 134 | D | 79.9 | Confident | 81 | Confident | 62 Ų | 62 | 71.1 Ų | 71.1 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -97.9 | 137.7 | -171.6 | -72.3 | -41.6 | 0 | 0 | 0 | 112.5 | N126 F129 D130 | N126-D134 PolarHBondContact ND2-OD2 3.38Å; F129-D134 WeakPolarHBondContact CA-OD2 3.49Å; F129-D134 HydrophobicContact CD2-CB 3.39Å; F129-D134 HydrophobicContact CE2-CB 3.21Å; F129-D134 HydrophobicContact CG-CB 4.3Å; F129-D134 HydrophobicContact CZ-CB 3.99Å; D130-D134 PolarHBondContact N-OD2 3.35Å; D130-D134 WeakPolarHBondContact O-CB 3.39Å; D130-D134 PolarHBondContact O-N 2.71Å |
| 135 | D | 82 | Confident | 82.1 | Confident | 151 Ų | 151 | 68.4 Ų | 68.4 | 81% | 0.807 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 133.7 | 173.5 | -73.9 | -45.7 | 0 | 0 | 0 | 111 | ||
| 136 | P | 83.4 | Confident | 83.5 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 146.4 | 179.7 | 28.8 | -34.8 | 0 | 0 | 0 | 111.8 | L138 P187 | P136-L138 PolarHBondContact O-N 3.04Å; P136-P187 HydrophobicContact CG-CG 4.49Å |
| 137 | I | 85.1 | Confident | 84.8 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 117.3 | 172.3 | -58.3 | -177.4 | 0 | 0 | 0 | 109.2 | E185 | I137-E185 HydrophobicContact CB-CB 4.24Å; I137-E185 VanDerWaalsContact CB-OE2 3.29Å; I137-E185 WeakPolarHBondContact CB-OE2 3.24Å; I137-E185 WeakPolarHBondContact CD1-OE2 3.41Å; I137-E185 WeakPolarHBondContact CG1-OE2 3.44Å |
| 138 | L | 91.2 | Very high | 86.3 | Confident | 96 Ų | 96 | 62 Ų | 62 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 141.4 | 178.4 | -58.9 | -176.1 | 0 | 0 | 0 | 111.7 | P136 A140 | P136-L138 PolarHBondContact O-N 3.04Å; L138-A140 PolarHBondContact O-N 2.9Å |
| 139 | E | 91.2 | Very high | 87.6 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 123.3 | 178.7 | 175.3 | 56.5 | -98.3 | 0 | 0 | 111.2 | S28 R119 A141 W142 L145 D186 | S28-E139 PolarHBondContact OG-OE2 3Å; S28-E139 VanDerWaalsContact OG-OE2 3.09Å; R119-E139 IonicContact CZ-OE2 3.75Å; R119-E139 IonicContact NE-OE2 3.23Å; R119-E139 PolarHBondContact NE-OE2 3.37Å; R119-E139 VanDerWaalsContact NE-OE2 3.16Å; R119-E139 IonicContact NH2-OE2 3.79Å; R119-E139 PolarHBondContact NH2-OE2 2.93Å; E139-A141 VanDerWaalsContact C-N 3.26Å; E139-A141 HydrophobicContact CG-CB 4.31Å; E139-A141 PolarHBondContact O-N 3.19Å; E139-A141 PolarHBondContact OE1-N 3.34Å; E139-A141 VanDerWaalsContact OE1-N 3.13Å; E139-W142 WeakPolarHBondContact O-CB 3.34Å; E139-W142 PolarHBondContact O-N 2.87Å; E139-W142 VanDerWaalsContact O-N 3.13Å; E139-L145 HydrophobicContact CG-CD1 3.52Å; E139-D186 HydrophobicContact CB-CB 4.43Å; E139-D186 PolarHBondContact N-OD2 3.45Å |
| 140 | A | 92.6 | Very high | 89 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -31.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F70 L138 W142 P143 | F70-A140 HydrophobicContact CB-CB 3.89Å; F70-A140 WeakPolarHBondContact CB-O 3.31Å; L138-A140 PolarHBondContact O-N 2.9Å; A140-W142 PolarHBondContact O-N 3.27Å; A140-P143 VanDerWaalsContact O-CD 3.32Å; A140-P143 WeakPolarHBondContact O-CD 3.32Å |
| 141 | A | 94.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 12% | 0.116 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 5.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F70 E139 P143 H144 L145 | F70-A141 HydrophobicContact CB-CB 4.46Å; F70-A141 HydrophobicContact CD2-CB 3.69Å; F70-A141 HydrophobicContact CE2-CB 4.22Å; F70-A141 HydrophobicContact CG-CB 4.25Å; E139-A141 VanDerWaalsContact C-N 3.26Å; E139-A141 HydrophobicContact CG-CB 4.31Å; E139-A141 PolarHBondContact O-N 3.19Å; E139-A141 PolarHBondContact OE1-N 3.34Å; E139-A141 VanDerWaalsContact OE1-N 3.13Å; A141-P143 VanDerWaalsContact C-N 3.29Å; A141-P143 VanDerWaalsContact O-N 3.15Å; A141-H144 PolarHBondContact O-N 2.93Å; A141-L145 HydrophobicContact CB-CD1 4.04Å; A141-L145 HydrophobicContact CB-CG 4.22Å; A141-L145 PolarHBondContact O-N 3.21Å |
| 142 | W | 96 | Very high | 91.5 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 15% | 0.148 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -49.9 | -36.4 | 179.9 | -165.4 | -109 | 0 | 0 | 0 | 115.6 | E139 A140 H144 L145 S146 Y149 R188 E189 L192 | E139-W142 WeakPolarHBondContact O-CB 3.34Å; E139-W142 PolarHBondContact O-N 2.87Å; E139-W142 VanDerWaalsContact O-N 3.13Å; A140-W142 PolarHBondContact O-N 3.27Å; W142-H144 PolarHBondContact O-N 3.39Å; W142-H144 VanDerWaalsContact O-N 3.08Å; W142-L145 HydrophobicContact CE3-CB 4.23Å; W142-L145 PolarHBondContact O-N 3.49Å; W142-S146 WeakPolarHBondContact O-CB 3.02Å; W142-S146 PolarHBondContact O-N 3.16Å; W142-S146 PolarHBondContact O-OG 2.97Å; W142-Y149 HydrophobicContact CZ3-CD2 4.45Å; W142-R188 VanDerWaalsContact CD1-CZ 3.47Å; W142-R188 VanDerWaalsContact CD1-NH1 3.29Å; W142-R188 VanDerWaalsContact CH2-C 3.44Å; W142-R188 HydrophobicContact CH2-CB 3.49Å; W142-R188 VanDerWaalsContact CH2-CB 3.49Å; W142-R188 HydrophobicContact CZ2-CB 3.34Å; W142-R188 HydrophobicContact CZ2-CG 4.35Å; W142-R188 HydrophobicContact CZ3-CB 4.25Å; W142-E189 HydrophobicContact CH2-CB 4.43Å; W142-E189 HydrophobicContact CZ3-CB 3.84Å; W142-L192 HydrophobicContact CH2-CD1 3.59Å; W142-L192 HydrophobicContact CZ2-CD1 4.04Å |
| 143 | P | 95.3 | Very high | 92.7 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.7 | -21.2 | 176.6 | -26.9 | 36.6 | 0 | 0 | 0 | 115 | F70 A140 A141 Y147 | F70-P143 HydrophobicContact CE1-CB 4.22Å; F70-P143 HydrophobicContact CE1-CG 4.22Å; A140-P143 VanDerWaalsContact O-CD 3.32Å; A140-P143 WeakPolarHBondContact O-CD 3.32Å; A141-P143 VanDerWaalsContact C-N 3.29Å; A141-P143 VanDerWaalsContact O-N 3.15Å; P143-Y147 VanDerWaalsContact O-CD2 3.32Å; P143-Y147 WeakPolarHBondContact O-CD2 3.46Å |
| 144 | H | 97 | Very high | 93.7 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -101.8 | -43.1 | 170.8 | -72.4 | -179.9 | 0 | 0 | 0 | 111.7 | F68 F70 K80 K83 L87 A141 W142 S146 Y147 V148 | F68-H144 AromaticContact CD2-CE1 3.67Å; F70-H144 HydrophobicContact CE2-CB 4.41Å; F70-H144 AromaticContact CE2-CE1 3.88Å; F70-H144 AromaticContact CE2-CG 3.91Å; F70-H144 AromaticContact CE2-ND1 3.51Å; F70-H144 HydrophobicContact CZ-CB 4.39Å; F70-H144 AromaticContact CZ-CD2 3.78Å; F70-H144 AromaticContact CZ-CE1 3.51Å; F70-H144 AromaticContact CZ-CG 3.63Å; F70-H144 AromaticContact CZ-ND1 3.49Å; F70-H144 WeakPolarHBondContact CZ-ND1 3.37Å; F70-H144 AromaticContact CZ-NE2 3.7Å; K80-H144 PolarHBondContact O-CE1 3Å; K80-H144 PolarHBondContact O-NE2 3.45Å; K83-H144 WeakPolarHBondContact CD-ND1 3.42Å; L87-H144 HydrophobicContact CD1-CB 4.07Å; A141-H144 PolarHBondContact O-N 2.93Å; W142-H144 PolarHBondContact O-N 3.39Å; W142-H144 VanDerWaalsContact O-N 3.08Å; H144-S146 VanDerWaalsContact C-N 3.3Å; H144-S146 PolarHBondContact O-N 3.32Å; H144-Y147 PolarHBondContact O-N 3.01Å; H144-V148 WeakPolarHBondContact O-CG2 3.45Å; H144-V148 PolarHBondContact O-N 2.85Å; H144-V148 VanDerWaalsContact O-N 3.16Å |
| 145 | L | 97.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -37 | -175.3 | -68.1 | 176.3 | 0 | 0 | 0 | 112.8 | N116 E139 A141 W142 Y147 V148 Y149 | N116-L145 HydrophobicContact CB-CD2 4.44Å; N116-L145 WeakPolarHBondContact O-CD2 3.4Å; E139-L145 HydrophobicContact CG-CD1 3.52Å; A141-L145 HydrophobicContact CB-CD1 4.04Å; A141-L145 HydrophobicContact CB-CG 4.22Å; A141-L145 PolarHBondContact O-N 3.21Å; W142-L145 HydrophobicContact CE3-CB 4.23Å; W142-L145 PolarHBondContact O-N 3.49Å; L145-Y147 PolarHBondContact O-N 3.43Å; L145-V148 PolarHBondContact O-N 2.94Å; L145-V148 VanDerWaalsContact O-N 3.11Å; L145-Y149 HydrophobicContact CB-CD2 4.35Å; L145-Y149 HydrophobicContact CB-CE2 4.39Å; L145-Y149 VanDerWaalsContact O-CD2 3.27Å; L145-Y149 WeakPolarHBondContact O-CD2 3.42Å; L145-Y149 PolarHBondContact O-N 2.97Å |
| 146 | S | 97.5 | Very high | 95.2 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -52.3 | -51.5 | 175.3 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | W142 H144 V148 Y149 E150 | W142-S146 WeakPolarHBondContact O-CB 3.02Å; W142-S146 PolarHBondContact O-N 3.16Å; W142-S146 PolarHBondContact O-OG 2.97Å; H144-S146 VanDerWaalsContact C-N 3.3Å; H144-S146 PolarHBondContact O-N 3.32Å; S146-V148 PolarHBondContact O-N 3.36Å; S146-Y149 PolarHBondContact O-N 3.3Å; S146-E150 WeakPolarHBondContact O-CB 3.39Å; S146-E150 PolarHBondContact O-N 2.84Å |
| 147 | Y | 98.1 | Very high | 95.8 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 25% | 0.247 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.6 | -33.5 | 177 | -64.8 | -80 | 0 | 0 | 0 | 113.3 | R84 L87 N88 P143 H144 L145 E150 F151 | R84-Y147 HydrophobicContact CG-CE2 3.91Å; L87-Y147 HydrophobicContact CB-CG 4.2Å; N88-Y147 HydrophobicContact CB-CD1 4.17Å; N88-Y147 HydrophobicContact CB-CE1 3.84Å; P143-Y147 VanDerWaalsContact O-CD2 3.32Å; P143-Y147 WeakPolarHBondContact O-CD2 3.46Å; H144-Y147 PolarHBondContact O-N 3.01Å; L145-Y147 PolarHBondContact O-N 3.43Å; Y147-E150 PolarHBondContact O-N 2.85Å; Y147-F151 WeakPolarHBondContact O-CB 3.44Å; Y147-F151 PolarHBondContact O-N 2.69Å |
| 148 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -45.5 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | L87 M112 N116 I117 H144 L145 S146 F151 F152 | L87-V148 HydrophobicContact CD1-CG2 4.02Å; L87-V148 HydrophobicContact CD2-CG2 3.8Å; M112-V148 HydrophobicContact SD-CG1 4.4Å; M112-V148 HydrophobicContact SD-CG2 4.26Å; N116-V148 HydrophobicContact CB-CB 4.41Å; N116-V148 HydrophobicContact CB-CG1 3.9Å; N116-V148 HydrophobicContact CB-CG2 3.89Å; I117-V148 HydrophobicContact CG2-CG1 3.77Å; H144-V148 WeakPolarHBondContact O-CG2 3.45Å; H144-V148 PolarHBondContact O-N 2.85Å; H144-V148 VanDerWaalsContact O-N 3.16Å; L145-V148 PolarHBondContact O-N 2.94Å; L145-V148 VanDerWaalsContact O-N 3.11Å; S146-V148 PolarHBondContact O-N 3.36Å; V148-F151 PolarHBondContact O-N 3.4Å; V148-F152 WeakPolarHBondContact O-CB 3.21Å; V148-F152 PolarHBondContact O-N 2.97Å |
| 149 | Y | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -41.5 | 176.2 | -81.1 | -63.6 | 0 | 0 | 0 | 111.9 | I117 W142 L145 S146 F152 L153 E189 L192 L193 | I117-Y149 HydrophobicContact CB-CE1 4.47Å; I117-Y149 HydrophobicContact CD1-CE1 4.46Å; I117-Y149 HydrophobicContact CG2-CD1 4.49Å; I117-Y149 HydrophobicContact CG2-CE1 3.97Å; I117-Y149 HydrophobicContact CG2-CE2 4.19Å; W142-Y149 HydrophobicContact CZ3-CD2 4.45Å; L145-Y149 HydrophobicContact CB-CD2 4.35Å; L145-Y149 HydrophobicContact CB-CE2 4.39Å; L145-Y149 VanDerWaalsContact O-CD2 3.27Å; L145-Y149 WeakPolarHBondContact O-CD2 3.42Å; L145-Y149 PolarHBondContact O-N 2.97Å; S146-Y149 PolarHBondContact O-N 3.3Å; Y149-F152 PolarHBondContact O-N 3.35Å; Y149-L153 PolarHBondContact O-N 3.21Å; Y149-E189 HydrophobicContact CE2-CG 3.75Å; Y149-E189 WeakPolarHBondContact CE2-OE1 3.4Å; Y149-E189 WeakPolarHBondContact OH-CG 3.45Å; Y149-E189 PolarHBondContact OH-OE1 3.35Å; Y149-L192 VanDerWaalsContact CB-CD1 3.43Å; Y149-L192 HydrophobicContact CD1-CB 4.16Å; Y149-L192 HydrophobicContact CD2-CD1 4.09Å; Y149-L192 HydrophobicContact CG-CB 4.01Å; Y149-L192 HydrophobicContact CG-CD1 3.92Å; Y149-L193 HydrophobicContact CE1-CD2 3.71Å; Y149-L193 HydrophobicContact CE1-CG 4.06Å |
| 150 | E | 97.8 | Very high | 96.4 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 32% | 0.318 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 174.4 | -177.2 | 169.9 | -165.6 | 0 | 0 | 111.5 | V91 S146 Y147 F152 L153 R154 | V91-E150 HydrophobicContact CG1-CG 3.88Å; V91-E150 HydrophobicContact CG2-CB 4.43Å; V91-E150 HydrophobicContact CG2-CG 4.33Å; S146-E150 WeakPolarHBondContact O-CB 3.39Å; S146-E150 PolarHBondContact O-N 2.84Å; Y147-E150 PolarHBondContact O-N 2.85Å; E150-F152 VanDerWaalsContact C-N 3.3Å; E150-F152 PolarHBondContact O-N 2.67Å; E150-L153 PolarHBondContact O-N 3.2Å; E150-R154 WeakPolarHBondContact O-CG 3.48Å; E150-R154 PolarHBondContact O-N 3.12Å; E150-R154 IonicContact OE1-CZ 2.76Å; E150-R154 IonicContact OE1-NH1 2.59Å; E150-R154 PolarHBondContact OE1-NH1 3.1Å; E150-R154 IonicContact OE1-NH2 3.16Å |
| 151 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 174.6 | -179.6 | -100.1 | 0 | 0 | 0 | 111.5 | F57 L61 L90 V91 I94 I109 M112 Y147 V148 R154 F155 | F57-F151 HydrophobicContact CE2-CE2 4.09Å; F57-F151 HydrophobicContact CE2-CZ 4.13Å; F57-F151 HydrophobicContact CZ-CE2 4.16Å; F57-F151 AromaticContact CZ-CZ 3.83Å; F57-F151 HydrophobicContact CZ-CZ 3.83Å; L61-F151 HydrophobicContact CD2-CE1 3.96Å; L61-F151 HydrophobicContact CD2-CZ 3.89Å; L90-F151 HydrophobicContact CB-CD2 3.88Å; L90-F151 HydrophobicContact CB-CE2 3.8Å; L90-F151 WeakPolarHBondContact O-CE2 3.48Å; V91-F151 HydrophobicContact CG2-CB 3.74Å; V91-F151 HydrophobicContact CG2-CD2 4.35Å; I94-F151 HydrophobicContact CB-CE2 4.07Å; I94-F151 HydrophobicContact CD1-CE2 3.92Å; I94-F151 HydrophobicContact CD1-CZ 4.05Å; I94-F151 HydrophobicContact CG2-CD2 3.9Å; I94-F151 HydrophobicContact CG2-CE2 3.86Å; I109-F151 HydrophobicContact CB-CE1 4.46Å; I109-F151 HydrophobicContact CD1-CZ 4.42Å; I109-F151 HydrophobicContact CG1-CE1 4.12Å; I109-F151 HydrophobicContact CG1-CZ 4.08Å; I109-F151 HydrophobicContact CG2-CE1 3.9Å; M112-F151 HydrophobicContact CE-CD1 3.38Å; M112-F151 HydrophobicContact CE-CE1 3.57Å; M112-F151 HydrophobicContact CE-CG 4.16Å; M112-F151 HydrophobicContact CE-CZ 4.5Å; Y147-F151 WeakPolarHBondContact O-CB 3.44Å; Y147-F151 PolarHBondContact O-N 2.69Å; V148-F151 PolarHBondContact O-N 3.4Å; F151-R154 PolarHBondContact O-N 3.48Å; F151-F155 VanDerWaalsContact O-CB 3.31Å; F151-F155 WeakPolarHBondContact O-CB 3.35Å; F151-F155 PolarHBondContact O-N 3.43Å |
| 152 | F | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 177.7 | -168.6 | -172.4 | 0 | 0 | 0 | 111.7 | I113 I117 V148 Y149 E150 F155 L156 I170 F174 V196 I200 | I113-F152 HydrophobicContact CD1-CB 3.93Å; I113-F152 HydrophobicContact CD1-CD1 4.38Å; I113-F152 HydrophobicContact CD1-CD2 3.52Å; I113-F152 HydrophobicContact CD1-CE2 4.05Å; I113-F152 HydrophobicContact CD1-CG 3.7Å; I113-F152 HydrophobicContact CG1-CB 4.25Å; I113-F152 HydrophobicContact CG1-CG 4.31Å; I113-F152 HydrophobicContact CG2-CD1 3.64Å; I113-F152 HydrophobicContact CG2-CE1 3.86Å; I113-F152 HydrophobicContact CG2-CG 4.06Å; I113-F152 HydrophobicContact CG2-CZ 4.47Å; I117-F152 HydrophobicContact CD1-CE1 4.48Å; V148-F152 WeakPolarHBondContact O-CB 3.21Å; V148-F152 PolarHBondContact O-N 2.97Å; Y149-F152 PolarHBondContact O-N 3.35Å; E150-F152 VanDerWaalsContact C-N 3.3Å; E150-F152 PolarHBondContact O-N 2.67Å; F152-F155 HydrophobicContact CD2-CD1 4.08Å; F152-F155 HydrophobicContact CE2-CD1 4.28Å; F152-F155 WeakPolarHBondContact O-CB 3.45Å; F152-F155 PolarHBondContact O-N 2.99Å; F152-L156 HydrophobicContact CD2-CD1 3.87Å; F152-L156 HydrophobicContact CD2-CG 3.85Å; F152-L156 HydrophobicContact CE2-CD1 3.61Å; F152-L156 HydrophobicContact CE2-CD2 3.99Å; F152-L156 HydrophobicContact CE2-CG 3.7Å; F152-L156 HydrophobicContact CZ-CD1 4.12Å; F152-L156 WeakPolarHBondContact O-CG 3.39Å; F152-L156 PolarHBondContact O-N 3.47Å; F152-I170 HydrophobicContact CE2-CD1 4.44Å; F152-F174 AromaticContact CE1-CE1 4Å; F152-F174 HydrophobicContact CE1-CE1 4Å; F152-F174 AromaticContact CE1-CZ 3.94Å; F152-F174 HydrophobicContact CE1-CZ 3.94Å; F152-F174 AromaticContact CZ-CE1 3.71Å; F152-F174 HydrophobicContact CZ-CE1 3.71Å; F152-F174 AromaticContact CZ-CZ 3.75Å; F152-F174 HydrophobicContact CZ-CZ 3.75Å; F152-V196 HydrophobicContact CD1-CG1 3.61Å; F152-V196 HydrophobicContact CD1-CG2 4.05Å; F152-V196 HydrophobicContact CE1-CG1 3.3Å; F152-V196 HydrophobicContact CE2-CG1 4.48Å; F152-V196 HydrophobicContact CG-CG1 4.35Å; F152-V196 HydrophobicContact CG-CG2 4.44Å; F152-V196 HydrophobicContact CZ-CG1 3.79Å; F152-I200 HydrophobicContact CZ-CD1 4.05Å |
| 153 | L | 97.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.6 | -49.1 | 174.9 | -75.4 | 175.5 | 0 | 0 | 0 | 111.6 | Y149 E150 F155 L156 E157 L192 T195 V196 | Y149-L153 PolarHBondContact O-N 3.21Å; E150-L153 PolarHBondContact O-N 3.2Å; L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 3.43Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-L156 VanDerWaalsContact O-N 3.14Å; L153-E157 WeakPolarHBondContact O-CB 3.32Å; L153-E157 WeakPolarHBondContact O-CG 3.17Å; L153-E157 PolarHBondContact O-N 3.11Å; L153-L192 HydrophobicContact CD1-CD2 3.76Å; L153-T195 HydrophobicContact CD1-CG2 4.24Å; L153-T195 HydrophobicContact CD2-CG2 3.54Å; L153-V196 HydrophobicContact CD2-CB 4.3Å; L153-V196 HydrophobicContact CD2-CG2 3.48Å; L153-V196 VanDerWaalsContact CD2-CG2 3.48Å; L153-V196 HydrophobicContact CG-CG2 3.79Å |
| 154 | R | 97.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 39.3 Ų | 39.3 | 32% | 0.317 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.1 | -38 | 177.6 | -63.3 | -62.3 | 128.6 | 65.5 | 5.5 | 112.3 | I94 S95 E150 F151 E157 S158 | I94-R154 HydrophobicContact CG2-CB 3.8Å; S95-R154 WeakPolarHBondContact OG-CG 3.49Å; E150-R154 WeakPolarHBondContact O-CG 3.48Å; E150-R154 PolarHBondContact O-N 3.12Å; E150-R154 IonicContact OE1-CZ 2.76Å; E150-R154 IonicContact OE1-NH1 2.59Å; E150-R154 PolarHBondContact OE1-NH1 3.1Å; E150-R154 IonicContact OE1-NH2 3.16Å; F151-R154 PolarHBondContact O-N 3.48Å; R154-E157 PolarHBondContact O-N 3.5Å; R154-S158 WeakPolarHBondContact O-CB 3.3Å; R154-S158 PolarHBondContact O-N 3.14Å |
| 155 | F | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 173.3 | 170.3 | -121.3 | 0 | 0 | 0 | 112.3 | I94 L101 Y106 I109 V110 I113 F151 F152 L153 F161 | I94-F155 HydrophobicContact CD1-CB 3.68Å; I94-F155 HydrophobicContact CD1-CD2 4.05Å; I94-F155 HydrophobicContact CD1-CG 4.35Å; L101-F155 HydrophobicContact CD1-CD2 3.77Å; L101-F155 HydrophobicContact CD1-CE2 4Å; L101-F155 HydrophobicContact CD2-CD2 3.77Å; L101-F155 HydrophobicContact CD2-CE2 3.93Å; L101-F155 HydrophobicContact CG-CD2 4.44Å; Y106-F155 HydrophobicContact CD1-CE2 4.02Å; Y106-F155 AromaticContact CD1-CZ 3.57Å; Y106-F155 HydrophobicContact CD1-CZ 3.57Å; Y106-F155 AromaticContact CE1-CE2 3.8Å; Y106-F155 HydrophobicContact CE1-CE2 3.8Å; Y106-F155 AromaticContact CE1-CZ 3.66Å; Y106-F155 HydrophobicContact CE1-CZ 3.66Å; Y106-F155 HydrophobicContact CG-CZ 4.43Å; I109-F155 HydrophobicContact CD1-CD2 3.91Å; I109-F155 HydrophobicContact CD1-CE2 3.81Å; I109-F155 HydrophobicContact CD1-CZ 4.48Å; I109-F155 HydrophobicContact CG2-CD1 3.72Å; I109-F155 HydrophobicContact CG2-CD2 4.1Å; I109-F155 HydrophobicContact CG2-CE1 3.7Å; I109-F155 HydrophobicContact CG2-CE2 4.1Å; I109-F155 HydrophobicContact CG2-CG 3.9Å; I109-F155 HydrophobicContact CG2-CZ 3.88Å; V110-F155 HydrophobicContact CG2-CE1 4.47Å; I113-F155 HydrophobicContact CD1-CD1 4.5Å; F151-F155 VanDerWaalsContact O-CB 3.31Å; F151-F155 WeakPolarHBondContact O-CB 3.35Å; F151-F155 PolarHBondContact O-N 3.43Å; F152-F155 HydrophobicContact CD2-CD1 4.08Å; F152-F155 HydrophobicContact CE2-CD1 4.28Å; F152-F155 WeakPolarHBondContact O-CB 3.45Å; F152-F155 PolarHBondContact O-N 2.99Å; L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 3.43Å; F155-F161 HydrophobicContact CD1-CE2 4.18Å; F155-F161 HydrophobicContact CD2-CD2 4.11Å; F155-F161 HydrophobicContact CD2-CE2 4.42Å; F155-F161 HydrophobicContact CE1-CD2 4.31Å; F155-F161 AromaticContact CE1-CE2 3.66Å; F155-F161 HydrophobicContact CE1-CE2 3.66Å; F155-F161 AromaticContact CE2-CD2 3.82Å; F155-F161 HydrophobicContact CE2-CD2 3.82Å; F155-F161 AromaticContact CE2-CE2 3.92Å; F155-F161 HydrophobicContact CE2-CE2 3.92Å; F155-F161 HydrophobicContact CG-CD2 4.5Å; F155-F161 AromaticContact CZ-CD2 3.94Å; F155-F161 HydrophobicContact CZ-CD2 3.94Å; F155-F161 AromaticContact CZ-CE2 3.53Å; F155-F161 HydrophobicContact CZ-CE2 3.53Å; F155-F161 WeakPolarHBondContact O-CD2 3.36Å |
| 156 | L | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.9 | -33.4 | 178.5 | -70.1 | 175.9 | 0 | 0 | 0 | 112.6 | F152 L153 F161 I170 V196 R199 I200 K203 F204 | F152-L156 HydrophobicContact CD2-CD1 3.87Å; F152-L156 HydrophobicContact CD2-CG 3.85Å; F152-L156 HydrophobicContact CE2-CD1 3.61Å; F152-L156 HydrophobicContact CE2-CD2 3.99Å; F152-L156 HydrophobicContact CE2-CG 3.7Å; F152-L156 HydrophobicContact CZ-CD1 4.12Å; F152-L156 WeakPolarHBondContact O-CG 3.39Å; F152-L156 PolarHBondContact O-N 3.47Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-L156 VanDerWaalsContact O-N 3.14Å; L156-F161 HydrophobicContact CD2-CE1 4.45Å; L156-F161 HydrophobicContact CD2-CE2 3.91Å; L156-F161 HydrophobicContact CD2-CZ 3.74Å; L156-I170 HydrophobicContact CD2-CD1 4.36Å; L156-V196 HydrophobicContact CD1-CG1 3.96Å; L156-R199 HydrophobicContact CB-CB 4.37Å; L156-R199 HydrophobicContact CD1-CB 4.17Å; L156-I200 HydrophobicContact CD1-CD1 4.41Å; L156-I200 HydrophobicContact CD1-CG1 3.86Å; L156-I200 HydrophobicContact CD2-CG1 4.36Å; L156-K203 WeakPolarHBondContact O-CD 3.32Å; L156-K203 WeakPolarHBondContact O-CE 3.46Å; L156-K203 PolarHBondContact O-NZ 2.81Å; L156-F204 HydrophobicContact CD2-CE2 4.47Å |
| 157 | E | 95.5 | Very high | 96.2 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 34% | 0.341 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -86.4 | -15 | -177.1 | -69 | -175.8 | 150.4 | 0 | 0 | 113.5 | L153 R154 R199 | L153-E157 WeakPolarHBondContact O-CB 3.32Å; L153-E157 WeakPolarHBondContact O-CG 3.17Å; L153-E157 PolarHBondContact O-N 3.11Å; R154-E157 PolarHBondContact O-N 3.5Å; E157-R199 HydrophobicContact CG-CG 4.43Å; E157-R199 IonicContact OE1-CZ 2.72Å; E157-R199 VanDerWaalsContact OE1-CZ 3.28Å; E157-R199 IonicContact OE1-NE 3.95Å; E157-R199 PolarHBondContact OE1-NE 3.42Å; E157-R199 IonicContact OE1-NH2 3.75Å; E157-R199 PolarHBondContact OE1-NH2 2.86Å |
| 158 | S | 94.9 | Very high | 96 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | trans | -51.9 | 134.6 | 177.4 | 179 | 0 | 0 | 0 | 0 | 111.4 | R154 D160 F161 | R154-S158 WeakPolarHBondContact O-CB 3.3Å; R154-S158 PolarHBondContact O-N 3.14Å; S158-D160 PolarHBondContact O-N 3.39Å; S158-D160 PolarHBondContact OG-N 3.01Å; S158-F161 WeakPolarHBondContact O-CB 3.47Å; S158-F161 PolarHBondContact O-N 3.36Å | ||
| 159 | P | 92.8 | Very high | 96 | Very high | 125 Ų | 125 | 50.9 Ų | 50.9 | 81% | 0.812 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.3 | 175 | 27.2 | -34.4 | 0 | 0 | 0 | 112.3 | F161 | P159-F161 VanDerWaalsContact C-N 3.26Å; P159-F161 PolarHBondContact O-N 2.88Å |
| 160 | D | 93.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -1.5 | 179.3 | -58.5 | -28.9 | 0 | 0 | 0 | 112.5 | N99 L101 S158 Q162 | N99-D160 WeakPolarHBondContact CA-OD2 3.49Å; N99-D160 PolarHBondContact N-OD2 2.95Å; L101-D160 HydrophobicContact CB-CB 4.48Å; S158-D160 PolarHBondContact O-N 3.39Å; S158-D160 PolarHBondContact OG-N 3.01Å; D160-Q162 PolarHBondContact O-N 2.83Å |
| 161 | F | 95.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | trans | -67.4 | 126.4 | -179.8 | -178.9 | -94.1 | 0 | 0 | 0 | 111.9 | L101 Y106 F155 L156 S158 P159 P163 A166 K203 F204 | L101-F161 HydrophobicContact CD1-CB 4.35Å; Y106-F161 HydrophobicContact CE1-CD2 4.12Å; Y106-F161 AromaticContact CE1-CE2 4Å; Y106-F161 HydrophobicContact CE1-CE2 4Å; F155-F161 HydrophobicContact CD1-CE2 4.18Å; F155-F161 HydrophobicContact CD2-CD2 4.11Å; F155-F161 HydrophobicContact CD2-CE2 4.42Å; F155-F161 HydrophobicContact CE1-CD2 4.31Å; F155-F161 AromaticContact CE1-CE2 3.66Å; F155-F161 HydrophobicContact CE1-CE2 3.66Å; F155-F161 AromaticContact CE2-CD2 3.82Å; F155-F161 HydrophobicContact CE2-CD2 3.82Å; F155-F161 AromaticContact CE2-CE2 3.92Å; F155-F161 HydrophobicContact CE2-CE2 3.92Å; F155-F161 HydrophobicContact CG-CD2 4.5Å; F155-F161 AromaticContact CZ-CD2 3.94Å; F155-F161 HydrophobicContact CZ-CD2 3.94Å; F155-F161 AromaticContact CZ-CE2 3.53Å; F155-F161 HydrophobicContact CZ-CE2 3.53Å; F155-F161 WeakPolarHBondContact O-CD2 3.36Å; L156-F161 HydrophobicContact CD2-CE1 4.45Å; L156-F161 HydrophobicContact CD2-CE2 3.91Å; L156-F161 HydrophobicContact CD2-CZ 3.74Å; S158-F161 WeakPolarHBondContact O-CB 3.47Å; S158-F161 PolarHBondContact O-N 3.36Å; P159-F161 VanDerWaalsContact C-N 3.26Å; P159-F161 PolarHBondContact O-N 2.88Å; F161-P163 HydrophobicContact CD1-CG 4.09Å; F161-P163 HydrophobicContact CE1-CB 4.28Å; F161-P163 HydrophobicContact CE1-CG 3.92Å; F161-P163 WeakPolarHBondContact O-CD 3.48Å; F161-A166 HydrophobicContact CE1-CB 4.42Å; F161-A166 HydrophobicContact CE2-CB 3.9Å; F161-A166 HydrophobicContact CZ-CB 3.56Å; F161-K203 HydrophobicContact CD1-CD 3.72Å; F161-K203 HydrophobicContact CE1-CD 3.84Å; F161-F204 HydrophobicContact CE1-CE2 4.22Å; F161-F204 HydrophobicContact CE1-CZ 4.06Å; F161-F204 AromaticContact CZ-CE2 3.99Å; F161-F204 HydrophobicContact CZ-CE2 3.99Å; F161-F204 AromaticContact CZ-CZ 3.69Å; F161-F204 HydrophobicContact CZ-CZ 3.69Å | ||
| 162 | Q | 95.4 | Very high | 95.8 | Very high | 115 Ų | 115 | 56.3 Ų | 56.3 | 54% | 0.537 | 28% | 0.283 | S | S | . | . | trans | -111 | 104.1 | -179.5 | -62.7 | -176.5 | 5.4 | 0 | 0 | 110.7 | Y106 D160 V164 A165 A166 | Y106-Q162 PolarHBondContact OH-N 3.39Å; D160-Q162 PolarHBondContact O-N 2.83Å; Q162-V164 PolarHBondContact O-N 3.28Å; Q162-V164 VanDerWaalsContact O-N 3.11Å; Q162-A165 HydrophobicContact CB-CB 4.24Å; Q162-A165 PolarHBondContact O-N 3.22Å; Q162-A165 VanDerWaalsContact O-N 3.15Å; Q162-A166 PolarHBondContact O-N 3.46Å; Q162-A166 VanDerWaalsContact O-N 3.17Å | ||
| 163 | P | 95.3 | Very high | 95.8 | Very high | 48 Ų | 48 | 63 Ų | 63 | 31% | 0.312 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.3 | -30.6 | -179.4 | -25.9 | 33.6 | 0 | 0 | 0 | 113.9 | F161 A166 K167 K203 F204 | F161-P163 HydrophobicContact CD1-CG 4.09Å; F161-P163 HydrophobicContact CE1-CB 4.28Å; F161-P163 HydrophobicContact CE1-CG 3.92Å; F161-P163 WeakPolarHBondContact O-CD 3.48Å; P163-A166 PolarHBondContact O-N 2.77Å; P163-K167 VanDerWaalsContact O-CB 3.3Å; P163-K167 WeakPolarHBondContact O-CB 3.13Å; P163-K167 PolarHBondContact O-N 2.97Å; P163-K203 HydrophobicContact CG-CB 4.4Å; P163-F204 HydrophobicContact CB-CD1 4.42Å; P163-F204 HydrophobicContact CB-CE1 4.22Å; P163-F204 WeakPolarHBondContact O-CE1 3.23Å |
| 164 | V | 94.5 | Very high | 95.8 | Very high | 125 Ų | 125 | 62.9 Ų | 62.9 | 76% | 0.758 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66 | -42.4 | 179.9 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | Q162 | Q162-V164 PolarHBondContact O-N 3.28Å; Q162-V164 VanDerWaalsContact O-N 3.11Å |
| 165 | A | 94.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 59 Ų | 59 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | E103 Y106 Q162 K167 | E103-A165 HydrophobicContact CG-CB 4.45Å; Y106-A165 HydrophobicContact CD1-CB 4.36Å; Y106-A165 HydrophobicContact CD2-CB 4.14Å; Y106-A165 HydrophobicContact CE1-CB 4.25Å; Y106-A165 HydrophobicContact CE2-CB 4.03Å; Y106-A165 HydrophobicContact CG-CB 4.33Å; Q162-A165 HydrophobicContact CB-CB 4.24Å; Q162-A165 PolarHBondContact O-N 3.22Å; Q162-A165 VanDerWaalsContact O-N 3.15Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.08Å |
| 166 | A | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -29.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y106 F161 Q162 P163 K168 Y169 I170 F204 | Y106-A166 HydrophobicContact CD1-CB 3.68Å; Y106-A166 HydrophobicContact CE1-CB 3.72Å; F161-A166 HydrophobicContact CE1-CB 4.42Å; F161-A166 HydrophobicContact CE2-CB 3.9Å; F161-A166 HydrophobicContact CZ-CB 3.56Å; Q162-A166 PolarHBondContact O-N 3.46Å; Q162-A166 VanDerWaalsContact O-N 3.17Å; P163-A166 PolarHBondContact O-N 2.77Å; A166-K168 PolarHBondContact O-N 2.99Å; A166-K168 VanDerWaalsContact O-N 3.08Å; A166-Y169 PolarHBondContact O-N 3.14Å; A166-I170 HydrophobicContact CB-CD1 4.39Å; A166-I170 PolarHBondContact O-N 2.77Å; A166-F204 HydrophobicContact CB-CE1 3.97Å; A166-F204 HydrophobicContact CB-CZ 3.64Å |
| 167 | K | 94.2 | Very high | 95.9 | Very high | 143 Ų | 143 | 65.2 Ų | 65.2 | 62% | 0.622 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.5 | -176.8 | -178.9 | -177.3 | 174.8 | -170.5 | 0 | 113.3 | P163 A165 Y169 F204 | P163-K167 VanDerWaalsContact O-CB 3.3Å; P163-K167 WeakPolarHBondContact O-CB 3.13Å; P163-K167 PolarHBondContact O-N 2.97Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.08Å; K167-Y169 PolarHBondContact O-N 2.92Å; K167-F204 HydrophobicContact CB-CE1 4.27Å |
| 168 | K | 94.4 | Very high | 96 | Very high | 132 Ų | 132 | 61.8 Ų | 61.8 | 57% | 0.574 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.7 | 176.1 | -61.8 | 174.9 | -174.9 | 171.2 | 0 | 112.8 | E103 A166 | E103-K168 IonicContact OE1-NZ 3.39Å; E103-K168 PolarHBondContact OE1-NZ 3.5Å; A166-K168 PolarHBondContact O-N 2.99Å; A166-K168 VanDerWaalsContact O-N 3.08Å |
| 169 | Y | 96.5 | Very high | 96.1 | Very high | 66 Ų | 66 | 61.2 Ų | 61.2 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -29.7 | -171.1 | -49.5 | -69.5 | 0 | 0 | 0 | 113 | Q107 A166 K167 D171 | Q107-Y169 HydrophobicContact CB-CD1 4.04Å; Q107-Y169 HydrophobicContact CB-CE1 3.53Å; Q107-Y169 HydrophobicContact CB-CE2 4.27Å; Q107-Y169 HydrophobicContact CG-CD1 4.24Å; Q107-Y169 HydrophobicContact CG-CE1 3.87Å; A166-Y169 PolarHBondContact O-N 3.14Å; K167-Y169 PolarHBondContact O-N 2.92Å; Y169-D171 PolarHBondContact O-N 2.76Å |
| 170 | I | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -96.9 | 82.3 | 172.6 | -55.9 | -179.1 | 0 | 0 | 0 | 107.7 | V110 F152 L156 A166 F174 I200 F204 L207 | V110-I170 HydrophobicContact CG2-CD1 4.47Å; V110-I170 HydrophobicContact CG2-CG1 4.09Å; F152-I170 HydrophobicContact CE2-CD1 4.44Å; L156-I170 HydrophobicContact CD2-CD1 4.36Å; A166-I170 HydrophobicContact CB-CD1 4.39Å; A166-I170 PolarHBondContact O-N 2.77Å; I170-F174 HydrophobicContact CG2-CD1 3.95Å; I170-F174 HydrophobicContact CG2-CE1 4.47Å; I170-F174 HydrophobicContact CG2-CG 4.46Å; I170-I200 HydrophobicContact CG2-CD1 4.43Å; I170-I200 HydrophobicContact CG2-CG2 4.42Å; I170-F204 HydrophobicContact CB-CZ 4.22Å; I170-F204 HydrophobicContact CD1-CE2 4.17Å; I170-F204 HydrophobicContact CD1-CZ 3.95Å; I170-F204 HydrophobicContact CG2-CE2 4.4Å; I170-F204 HydrophobicContact CG2-CZ 4.44Å; I170-L207 HydrophobicContact CG2-CD1 4.26Å |
| 171 | D | 96.5 | Very high | 96.5 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 40% | 0.401 | 28% | 0.283 | S | S | . | . | trans | -101.6 | -172.4 | -179 | 72.4 | -1.5 | 0 | 0 | 0 | 112.1 | Y169 K173 F174 V175 | Y169-D171 PolarHBondContact O-N 2.76Å; D171-K173 VanDerWaalsContact C-N 3.27Å; D171-K173 PolarHBondContact O-N 2.75Å; D171-K173 WeakPolarHBondContact OD1-CA 3.4Å; D171-K173 WeakPolarHBondContact OD1-CB 3.27Å; D171-K173 PolarHBondContact OD1-N 3.31Å; D171-F174 PolarHBondContact O-N 2.95Å; D171-F174 PolarHBondContact OD1-N 3.13Å; D171-V175 WeakPolarHBondContact O-CG2 3.46Å; D171-V175 PolarHBondContact O-N 3.48Å; D171-V175 VanDerWaalsContact O-N 3.1Å | ||
| 172 | Q | 97.9 | Very high | 96.6 | Very high | 106 Ų | 106 | 58 Ų | 58 | 50% | 0.495 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -33.2 | 177.9 | -70.3 | -176.4 | 2.3 | 0 | 0 | 112.8 | V175 L176 L207 F210 | Q172-V175 PolarHBondContact O-N 2.76Å; Q172-L176 WeakPolarHBondContact O-CB 3.49Å; Q172-L176 PolarHBondContact O-N 2.85Å; Q172-L207 HydrophobicContact CG-CD2 4.11Å; Q172-F210 HydrophobicContact CB-CD1 4.09Å; Q172-F210 HydrophobicContact CB-CD2 4.14Å; Q172-F210 HydrophobicContact CB-CE1 3.8Å; Q172-F210 HydrophobicContact CB-CE2 3.83Å; Q172-F210 HydrophobicContact CB-CG 4.25Å; Q172-F210 HydrophobicContact CB-CZ 3.67Å; Q172-F210 VanDerWaalsContact CD-CD2 3.44Å; Q172-F210 HydrophobicContact CG-CB 4.32Å; Q172-F210 HydrophobicContact CG-CD1 3.96Å; Q172-F210 HydrophobicContact CG-CD2 3.75Å; Q172-F210 HydrophobicContact CG-CE1 4.18Å; Q172-F210 HydrophobicContact CG-CE2 3.98Å; Q172-F210 HydrophobicContact CG-CG 3.74Å; Q172-F210 HydrophobicContact CG-CZ 4.2Å; Q172-F210 WeakPolarHBondContact O-CE1 3.49Å; Q172-F210 WeakPolarHBondContact O-CZ 3.37Å |
| 173 | K | 97.3 | Very high | 96.6 | Very high | 140 Ų | 140 | 54.9 Ų | 54.9 | 61% | 0.609 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.3 | -45.3 | 178.3 | -179.3 | -177.4 | 176.1 | -177.3 | 0 | 110.3 | D171 V175 L176 Q177 | D171-K173 VanDerWaalsContact C-N 3.27Å; D171-K173 PolarHBondContact O-N 2.75Å; D171-K173 WeakPolarHBondContact OD1-CA 3.4Å; D171-K173 WeakPolarHBondContact OD1-CB 3.27Å; D171-K173 PolarHBondContact OD1-N 3.31Å; K173-V175 VanDerWaalsContact C-N 3.32Å; K173-V175 PolarHBondContact O-N 3.4Å; K173-L176 PolarHBondContact O-N 3.04Å; K173-Q177 WeakPolarHBondContact O-CG 3.48Å; K173-Q177 PolarHBondContact O-N 3.33Å |
| 174 | F | 98 | Very high | 96.5 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.4 | -47.5 | 174.9 | -172.2 | -79.3 | 0 | 0 | 0 | 111.2 | V110 I113 A114 F118 F152 I170 D171 L176 Q177 L178 | V110-F174 HydrophobicContact CG1-CD2 3.9Å; V110-F174 HydrophobicContact CG1-CE2 3.64Å; I113-F174 HydrophobicContact CG2-CZ 4.23Å; A114-F174 HydrophobicContact CB-CE2 4.24Å; F118-F174 AromaticContact CE2-CD2 3.55Å; F118-F174 HydrophobicContact CE2-CD2 3.55Å; F118-F174 AromaticContact CE2-CE2 3.53Å; F118-F174 HydrophobicContact CE2-CE2 3.53Å; F118-F174 HydrophobicContact CE2-CG 4.14Å; F118-F174 HydrophobicContact CE2-CZ 4.12Å; F118-F174 HydrophobicContact CZ-CD1 4.02Å; F118-F174 AromaticContact CZ-CD2 3.69Å; F118-F174 HydrophobicContact CZ-CD2 3.69Å; F118-F174 AromaticContact CZ-CE1 3.9Å; F118-F174 HydrophobicContact CZ-CE1 3.9Å; F118-F174 AromaticContact CZ-CE2 3.56Å; F118-F174 HydrophobicContact CZ-CE2 3.56Å; F118-F174 AromaticContact CZ-CG 3.91Å; F118-F174 HydrophobicContact CZ-CG 3.91Å; F118-F174 AromaticContact CZ-CZ 3.67Å; F118-F174 HydrophobicContact CZ-CZ 3.67Å; F152-F174 AromaticContact CE1-CE1 4Å; F152-F174 HydrophobicContact CE1-CE1 4Å; F152-F174 AromaticContact CE1-CZ 3.94Å; F152-F174 HydrophobicContact CE1-CZ 3.94Å; F152-F174 AromaticContact CZ-CE1 3.71Å; F152-F174 HydrophobicContact CZ-CE1 3.71Å; F152-F174 AromaticContact CZ-CZ 3.75Å; F152-F174 HydrophobicContact CZ-CZ 3.75Å; I170-F174 HydrophobicContact CG2-CD1 3.95Å; I170-F174 HydrophobicContact CG2-CE1 4.47Å; I170-F174 HydrophobicContact CG2-CG 4.46Å; D171-F174 PolarHBondContact O-N 2.95Å; D171-F174 PolarHBondContact OD1-N 3.13Å; F174-L176 PolarHBondContact O-N 3.4Å; F174-Q177 PolarHBondContact O-N 3.19Å; F174-L178 HydrophobicContact CE1-CD2 4.37Å; F174-L178 WeakPolarHBondContact O-CB 3.45Å; F174-L178 PolarHBondContact O-N 3.33Å |
| 175 | V | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.9 | 170 | 0 | 0 | 0 | 0 | 112.1 | D171 Q172 K173 L178 L179 I200 L207 F210 I211 | D171-V175 WeakPolarHBondContact O-CG2 3.46Å; D171-V175 PolarHBondContact O-N 3.48Å; D171-V175 VanDerWaalsContact O-N 3.1Å; Q172-V175 PolarHBondContact O-N 2.76Å; K173-V175 VanDerWaalsContact C-N 3.32Å; K173-V175 PolarHBondContact O-N 3.4Å; V175-L178 PolarHBondContact O-N 3.47Å; V175-L179 HydrophobicContact CG1-CD1 4.01Å; V175-L179 HydrophobicContact CG1-CG 4.36Å; V175-L179 WeakPolarHBondContact O-CG 3.28Å; V175-L179 PolarHBondContact O-N 2.61Å; V175-I200 HydrophobicContact CG2-CG2 4.31Å; V175-L207 HydrophobicContact CG2-CD1 3.93Å; V175-F210 HydrophobicContact CB-CD1 4.37Å; V175-F210 HydrophobicContact CB-CE1 4.19Å; V175-F210 HydrophobicContact CG1-CD1 4.01Å; V175-F210 HydrophobicContact CG1-CE1 4.03Å; V175-I211 HydrophobicContact CG1-CD1 4.43Å; V175-I211 HydrophobicContact CG1-CG1 3.61Å |
| 176 | L | 97.6 | Very high | 96.3 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -49 | 178.5 | -178.7 | 64.4 | 0 | 0 | 0 | 111.2 | Q172 K173 F174 L178 L179 E180 F210 Q214 | Q172-L176 WeakPolarHBondContact O-CB 3.49Å; Q172-L176 PolarHBondContact O-N 2.85Å; K173-L176 PolarHBondContact O-N 3.04Å; F174-L176 PolarHBondContact O-N 3.4Å; L176-L178 VanDerWaalsContact C-N 3.26Å; L176-L178 PolarHBondContact O-N 3.25Å; L176-L179 PolarHBondContact O-N 2.75Å; L176-L179 VanDerWaalsContact O-N 3.15Å; L176-E180 WeakPolarHBondContact O-CG 3.48Å; L176-E180 PolarHBondContact O-N 2.83Å; L176-F210 HydrophobicContact CB-CZ 4.46Å; L176-Q214 HydrophobicContact CD1-CG 4.35Å |
| 177 | Q | 97.5 | Very high | 96.2 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.1 | -33.7 | 177.6 | -64.6 | -174.1 | -72.8 | 0 | 0 | 112.1 | F118 K173 F174 E180 L181 | F118-Q177 HydrophobicContact CD1-CB 3.6Å; F118-Q177 HydrophobicContact CD2-CB 4.18Å; F118-Q177 HydrophobicContact CE1-CB 3.65Å; F118-Q177 HydrophobicContact CE2-CB 4.2Å; F118-Q177 HydrophobicContact CG-CB 3.91Å; F118-Q177 HydrophobicContact CZ-CB 3.95Å; K173-Q177 WeakPolarHBondContact O-CG 3.48Å; K173-Q177 PolarHBondContact O-N 3.33Å; F174-Q177 PolarHBondContact O-N 3.19Å; Q177-E180 PolarHBondContact O-N 2.91Å; Q177-L181 WeakPolarHBondContact O-CG 3.47Å |
| 178 | L | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 175.1 | -169.6 | 67.9 | 0 | 0 | 0 | 112.1 | I117 F118 F174 V175 L176 L181 L193 V196 V197 I200 | I117-L178 HydrophobicContact CD1-CD1 3.78Å; F118-L178 HydrophobicContact CE1-CB 4.07Å; F118-L178 HydrophobicContact CE1-CD1 4.27Å; F118-L178 HydrophobicContact CZ-CB 4.49Å; F174-L178 HydrophobicContact CE1-CD2 4.37Å; F174-L178 WeakPolarHBondContact O-CB 3.45Å; F174-L178 PolarHBondContact O-N 3.33Å; V175-L178 PolarHBondContact O-N 3.47Å; L176-L178 VanDerWaalsContact C-N 3.26Å; L176-L178 PolarHBondContact O-N 3.25Å; L178-L181 PolarHBondContact O-N 3.39Å; L178-L193 HydrophobicContact CD1-CD2 3.39Å; L178-L193 HydrophobicContact CG-CD2 4.06Å; L178-V196 HydrophobicContact CD2-CG1 3.82Å; L178-V197 HydrophobicContact CD2-CG2 3.53Å; L178-V197 HydrophobicContact CG-CG2 3.92Å; L178-I200 HydrophobicContact CD2-CD1 3.64Å |
| 179 | L | 98.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.8 | -32.1 | 176.7 | -71.9 | 173.4 | 0 | 0 | 0 | 112.5 | V175 L176 L181 F182 V197 Q214 I215 I218 L235 | V175-L179 HydrophobicContact CG1-CD1 4.01Å; V175-L179 HydrophobicContact CG1-CG 4.36Å; V175-L179 WeakPolarHBondContact O-CG 3.28Å; V175-L179 PolarHBondContact O-N 2.61Å; L176-L179 PolarHBondContact O-N 2.75Å; L176-L179 VanDerWaalsContact O-N 3.15Å; L179-L181 PolarHBondContact O-N 3.27Å; L179-F182 HydrophobicContact CD2-CD2 4.34Å; L179-F182 HydrophobicContact CD2-CE2 4.17Å; L179-F182 WeakPolarHBondContact O-CB 3.31Å; L179-F182 PolarHBondContact O-N 3.4Å; L179-V197 HydrophobicContact CD2-CG1 4.28Å; L179-V197 HydrophobicContact CD2-CG2 4.32Å; L179-Q214 HydrophobicContact CD1-CB 3.54Å; L179-Q214 HydrophobicContact CD1-CG 4.37Å; L179-I215 HydrophobicContact CD1-CG1 4.49Å; L179-I215 HydrophobicContact CD2-CG1 4.14Å; L179-I218 HydrophobicContact CB-CD1 4.1Å; L179-L235 HydrophobicContact CD2-CD2 4.09Å |
| 180 | E | 96.6 | Very high | 96.5 | Very high | 112 Ų | 112 | 39.8 Ų | 39.8 | 52% | 0.523 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.3 | -30.1 | 173.9 | -72.9 | 170.7 | 179.1 | 0 | 0 | 112.4 | L121 L176 Q177 F182 D183 | L121-E180 WeakPolarHBondContact CD1-O 3.48Å; L176-E180 WeakPolarHBondContact O-CG 3.48Å; L176-E180 PolarHBondContact O-N 2.83Å; Q177-E180 PolarHBondContact O-N 2.91Å; E180-F182 PolarHBondContact O-N 3.34Å; E180-D183 PolarHBondContact O-N 3.25Å |
| 181 | L | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -71.9 | -13.7 | 179.1 | -62.9 | 174.7 | 0 | 0 | 0 | 113.9 | I117 F118 L121 Q177 L178 L179 D183 S184 L193 | I117-L181 HydrophobicContact CB-CD1 4.01Å; I117-L181 HydrophobicContact CD1-CD1 4.32Å; I117-L181 HydrophobicContact CG1-CD1 4.07Å; I117-L181 WeakPolarHBondContact O-CD1 3.48Å; I117-L181 WeakPolarHBondContact O-CD2 3.32Å; F118-L181 HydrophobicContact CD1-CD1 3.93Å; F118-L181 HydrophobicContact CE1-CD1 4.28Å; L121-L181 HydrophobicContact CD2-CD2 4.18Å; Q177-L181 WeakPolarHBondContact O-CG 3.47Å; L178-L181 PolarHBondContact O-N 3.39Å; L179-L181 PolarHBondContact O-N 3.27Å; L181-D183 PolarHBondContact O-N 3.11Å; L181-D183 VanDerWaalsContact O-N 3.15Å; L181-S184 VanDerWaalsContact O-CB 3.23Å; L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 3.48Å; L181-L193 VanDerWaalsContact C-CD1 3.48Å; L181-L193 HydrophobicContact CB-CD1 3.55Å; L181-L193 HydrophobicContact CB-CD2 4.06Å; L181-L193 HydrophobicContact CB-CG 4.47Å; L181-L193 HydrophobicContact CD1-CD2 4.2Å; L181-L193 VanDerWaalsContact O-CD1 3.31Å; L181-L193 WeakPolarHBondContact O-CD1 3.22Å |
| 182 | F | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -64.6 | -15.4 | 175 | -85.4 | -101.5 | 0 | 0 | 0 | 112.8 | L179 E180 S184 R190 L193 K194 V197 F229 G231 E234 L235 I238 | L179-F182 HydrophobicContact CD2-CD2 4.34Å; L179-F182 HydrophobicContact CD2-CE2 4.17Å; L179-F182 WeakPolarHBondContact O-CB 3.31Å; L179-F182 PolarHBondContact O-N 3.4Å; E180-F182 PolarHBondContact O-N 3.34Å; F182-S184 PolarHBondContact O-N 3.47Å; F182-R190 WeakPolarHBondContact O-CD 3.48Å; F182-L193 HydrophobicContact CD2-CB 4.15Å; F182-L193 HydrophobicContact CD2-CD1 4.32Å; F182-L193 HydrophobicContact CE1-CB 4.24Å; F182-L193 HydrophobicContact CE2-CB 3.67Å; F182-L193 VanDerWaalsContact CZ-C 3.48Å; F182-L193 HydrophobicContact CZ-CB 3.74Å; F182-K194 HydrophobicContact CE1-CB 4.39Å; F182-V197 HydrophobicContact CE2-CB 4.35Å; F182-V197 HydrophobicContact CE2-CG2 3.63Å; F182-V197 HydrophobicContact CZ-CB 4.22Å; F182-V197 HydrophobicContact CZ-CG2 3.98Å; F182-F229 HydrophobicContact CB-CE1 4.06Å; F182-F229 HydrophobicContact CB-CZ 3.62Å; F182-G231 VanDerWaalsContact O-CA 3.24Å; F182-G231 WeakPolarHBondContact O-CA 3.27Å; F182-G231 PolarHBondContact O-N 2.99Å; F182-G231 VanDerWaalsContact O-N 3.11Å; F182-E234 HydrophobicContact CD1-CB 4.11Å; F182-E234 HydrophobicContact CE1-CB 3.91Å; F182-L235 HydrophobicContact CD1-CD2 3.67Å; F182-L235 HydrophobicContact CD1-CG 3.83Å; F182-L235 HydrophobicContact CD2-CD2 4.2Å; F182-L235 HydrophobicContact CE1-CD2 3.65Å; F182-L235 HydrophobicContact CE1-CG 4.18Å; F182-L235 HydrophobicContact CE2-CD2 4.18Å; F182-L235 HydrophobicContact CG-CD2 3.93Å; F182-L235 HydrophobicContact CG-CG 4.24Å; F182-L235 HydrophobicContact CZ-CD2 3.9Å; F182-I238 HydrophobicContact CE1-CD1 4.11Å; F182-I238 HydrophobicContact CZ-CD1 3.85Å |
| 183 | D | 94.9 | Very high | 96.6 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -79.9 | 4.2 | 173 | -148.8 | 19.9 | 0 | 0 | 0 | 112.9 | L121 E180 L181 E185 F229 N230 | L121-D183 VanDerWaalsContact CD1-C 3.41Å; L121-D183 HydrophobicContact CD1-CB 3.7Å; E180-D183 PolarHBondContact O-N 3.25Å; L181-D183 PolarHBondContact O-N 3.11Å; L181-D183 VanDerWaalsContact O-N 3.15Å; D183-E185 PolarHBondContact O-N 3.44Å; D183-F229 HydrophobicContact CB-CD2 3.95Å; D183-F229 HydrophobicContact CB-CE2 3.72Å; D183-F229 VanDerWaalsContact OD1-CA 3.28Å; D183-F229 WeakPolarHBondContact OD1-CA 3.5Å; D183-F229 WeakPolarHBondContact OD1-CD2 3.5Å; D183-N230 PolarHBondContact O-ND2 3.11Å; D183-N230 PolarHBondContact OD1-N 3.13Å |
| 184 | S | 93.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | trans | -58.4 | 134 | 175.2 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | L181 F182 D186 E189 R190 | L181-S184 VanDerWaalsContact O-CB 3.23Å; L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 3.48Å; F182-S184 PolarHBondContact O-N 3.47Å; S184-D186 PolarHBondContact O-N 3.33Å; S184-D186 PolarHBondContact OG-N 3.48Å; S184-E189 WeakPolarHBondContact CB-OE2 3.34Å; S184-E189 PolarHBondContact OG-OE2 3.03Å; S184-R190 VanDerWaalsContact O-CD 3.28Å; S184-R190 WeakPolarHBondContact O-CD 3.36Å; S184-R190 PolarHBondContact O-NH1 3.44Å | ||
| 185 | E | 91.5 | Very high | 96.7 | Very high | 26 Ų | 26 | 33 Ų | 33 | 12% | 0.121 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -69.6 | -22.9 | 175.8 | -67.4 | -167.6 | -161.3 | 0 | 0 | 112 | S124 I137 D183 P187 R190 | S124-E185 WeakPolarHBondContact CA-OE1 3.36Å; S124-E185 VanDerWaalsContact CB-OE1 3.27Å; S124-E185 WeakPolarHBondContact CB-OE1 3.5Å; S124-E185 PolarHBondContact OG-OE1 3.24Å; I137-E185 HydrophobicContact CB-CB 4.24Å; I137-E185 VanDerWaalsContact CB-OE2 3.29Å; I137-E185 WeakPolarHBondContact CB-OE2 3.24Å; I137-E185 WeakPolarHBondContact CD1-OE2 3.41Å; I137-E185 WeakPolarHBondContact CG1-OE2 3.44Å; D183-E185 PolarHBondContact O-N 3.44Å; E185-P187 VanDerWaalsContact O-CD 3.23Å; E185-P187 WeakPolarHBondContact O-CD 3.34Å; E185-R190 VanDerWaalsContact C-NH1 3.26Å; E185-R190 PolarHBondContact O-NH1 3.45Å |
| 186 | D | 93.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -77.5 | 110.6 | -179.9 | -165.9 | -36.8 | 0 | 0 | 0 | 111.2 | E139 S184 R188 E189 R190 | E139-D186 HydrophobicContact CB-CB 4.43Å; E139-D186 PolarHBondContact N-OD2 3.45Å; S184-D186 PolarHBondContact O-N 3.33Å; S184-D186 PolarHBondContact OG-N 3.48Å; D186-R188 PolarHBondContact O-N 3.27Å; D186-R188 VanDerWaalsContact O-N 3.16Å; D186-R188 WeakPolarHBondContact OD1-CB 3.44Å; D186-R188 WeakPolarHBondContact OD1-CG 3.3Å; D186-R188 IonicContact OD1-CZ 2.75Å; D186-R188 PolarHBondContact OD1-N 3.4Å; D186-R188 IonicContact OD1-NE 2.76Å; D186-R188 PolarHBondContact OD1-NE 2.77Å; D186-R188 IonicContact OD1-NH2 3.27Å; D186-R188 IonicContact OD2-CZ 3.48Å; D186-R188 IonicContact OD2-NE 2.75Å; D186-R188 PolarHBondContact OD2-NE 3.06Å; D186-R188 IonicContact OD2-NH2 3.46Å; D186-R188 PolarHBondContact OD2-NH2 3.15Å; D186-E189 HydrophobicContact CB-CB 4.29Å; D186-E189 PolarHBondContact O-N 2.94Å; D186-E189 VanDerWaalsContact O-N 3.11Å; D186-R190 PolarHBondContact O-N 3.5Å | ||
| 187 | P | 94 | Very high | 96.8 | Very high | 50 Ų | 50 | 30 Ų | 30 | 33% | 0.325 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.8 | -26.5 | -178.5 | 24.7 | -33.8 | 0 | 0 | 0 | 112.9 | P136 E185 E189 R190 E191 | P136-P187 HydrophobicContact CG-CG 4.49Å; E185-P187 VanDerWaalsContact O-CD 3.23Å; E185-P187 WeakPolarHBondContact O-CD 3.34Å; P187-E189 VanDerWaalsContact C-N 3.32Å; P187-E189 PolarHBondContact O-N 3.35Å; P187-R190 PolarHBondContact O-N 3.14Å; P187-E191 WeakPolarHBondContact O-CB 3.16Å; P187-E191 PolarHBondContact O-N 3.14Å |
| 188 | R | 96.7 | Very high | 96.8 | Very high | 88 Ų | 88 | 29.6 Ų | 29.6 | 33% | 0.332 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68 | -37.2 | 179.6 | -51.9 | 170.8 | -66.6 | -177.7 | 4.9 | 110.8 | W142 D186 L192 | W142-R188 VanDerWaalsContact CD1-CZ 3.47Å; W142-R188 VanDerWaalsContact CD1-NH1 3.29Å; W142-R188 VanDerWaalsContact CH2-C 3.44Å; W142-R188 HydrophobicContact CH2-CB 3.49Å; W142-R188 VanDerWaalsContact CH2-CB 3.49Å; W142-R188 HydrophobicContact CZ2-CB 3.34Å; W142-R188 HydrophobicContact CZ2-CG 4.35Å; W142-R188 HydrophobicContact CZ3-CB 4.25Å; D186-R188 PolarHBondContact O-N 3.27Å; D186-R188 VanDerWaalsContact O-N 3.16Å; D186-R188 WeakPolarHBondContact OD1-CB 3.44Å; D186-R188 WeakPolarHBondContact OD1-CG 3.3Å; D186-R188 IonicContact OD1-CZ 2.75Å; D186-R188 PolarHBondContact OD1-N 3.4Å; D186-R188 IonicContact OD1-NE 2.76Å; D186-R188 PolarHBondContact OD1-NE 2.77Å; D186-R188 IonicContact OD1-NH2 3.27Å; D186-R188 IonicContact OD2-CZ 3.48Å; D186-R188 IonicContact OD2-NE 2.75Å; D186-R188 PolarHBondContact OD2-NE 3.06Å; D186-R188 IonicContact OD2-NH2 3.46Å; D186-R188 PolarHBondContact OD2-NH2 3.15Å; R188-L192 WeakPolarHBondContact O-CG 3.45Å; R188-L192 PolarHBondContact O-N 3.25Å |
| 189 | E | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.8 | -46.7 | 175.3 | -176.3 | 162 | -150.1 | 0 | 0 | 110.5 | R119 W142 Y149 S184 D186 P187 E191 L192 L193 | R119-E189 IonicContact CZ-OE1 3.71Å; R119-E189 IonicContact CZ-OE2 3.62Å; R119-E189 IonicContact NH1-OE1 3.9Å; R119-E189 PolarHBondContact NH1-OE1 3.28Å; R119-E189 IonicContact NH1-OE2 3.58Å; R119-E189 IonicContact NH2-OE1 3.96Å; R119-E189 PolarHBondContact NH2-OE1 3.06Å; R119-E189 IonicContact NH2-OE2 3.04Å; R119-E189 PolarHBondContact NH2-OE2 3.02Å; W142-E189 HydrophobicContact CH2-CB 4.43Å; W142-E189 HydrophobicContact CZ3-CB 3.84Å; Y149-E189 HydrophobicContact CE2-CG 3.75Å; Y149-E189 WeakPolarHBondContact CE2-OE1 3.4Å; Y149-E189 WeakPolarHBondContact OH-CG 3.45Å; Y149-E189 PolarHBondContact OH-OE1 3.35Å; S184-E189 WeakPolarHBondContact CB-OE2 3.34Å; S184-E189 PolarHBondContact OG-OE2 3.03Å; D186-E189 HydrophobicContact CB-CB 4.29Å; D186-E189 PolarHBondContact O-N 2.94Å; D186-E189 VanDerWaalsContact O-N 3.11Å; P187-E189 VanDerWaalsContact C-N 3.32Å; P187-E189 PolarHBondContact O-N 3.35Å; E189-E191 VanDerWaalsContact C-N 3.33Å; E189-E191 PolarHBondContact O-N 3.35Å; E189-L192 PolarHBondContact O-N 3.18Å; E189-L193 HydrophobicContact CG-CD1 3.85Å; E189-L193 HydrophobicContact CG-CG 4.3Å; E189-L193 WeakPolarHBondContact O-CB 3.28Å; E189-L193 VanDerWaalsContact O-CG 3.27Å; E189-L193 WeakPolarHBondContact O-CG 3.44Å; E189-L193 PolarHBondContact O-N 3.15Å |
| 190 | R | 97.2 | Very high | 96.8 | Very high | 34 Ų | 34 | 34 Ų | 34 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | 178.2 | -60.3 | -163.7 | -57.5 | -87.7 | 2.3 | 112.6 | F182 S184 E185 D186 P187 L192 L193 K194 E234 | F182-R190 WeakPolarHBondContact O-CD 3.48Å; S184-R190 VanDerWaalsContact O-CD 3.28Å; S184-R190 WeakPolarHBondContact O-CD 3.36Å; S184-R190 PolarHBondContact O-NH1 3.44Å; E185-R190 VanDerWaalsContact C-NH1 3.26Å; E185-R190 PolarHBondContact O-NH1 3.45Å; D186-R190 PolarHBondContact O-N 3.5Å; P187-R190 PolarHBondContact O-N 3.14Å; R190-L192 PolarHBondContact O-N 2.89Å; R190-L193 PolarHBondContact O-N 3.24Å; R190-K194 WeakPolarHBondContact O-CB 3.42Å; R190-K194 PolarHBondContact O-N 2.9Å; R190-E234 HydrophobicContact CB-CG 4Å; R190-E234 WeakPolarHBondContact CB-OE1 3.1Å; R190-E234 IonicContact CZ-OE1 3.08Å; R190-E234 IonicContact NE-OE1 2.64Å; R190-E234 PolarHBondContact NE-OE1 3.41Å; R190-E234 IonicContact NE-OE2 3.2Å; R190-E234 IonicContact NH2-OE1 2.64Å |
| 191 | E | 97.9 | Very high | 96.9 | Very high | 87 Ų | 87 | 29.5 Ų | 29.5 | 41% | 0.407 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.6 | -174.6 | 58 | -154.6 | 0 | 0 | 112.8 | P187 E189 K194 T195 | P187-E191 WeakPolarHBondContact O-CB 3.16Å; P187-E191 PolarHBondContact O-N 3.14Å; E189-E191 VanDerWaalsContact C-N 3.33Å; E189-E191 PolarHBondContact O-N 3.35Å; E191-K194 VanDerWaalsContact CD-CE 3.49Å; E191-K194 WeakPolarHBondContact O-CB 3.47Å; E191-K194 WeakPolarHBondContact OE1-CE 3.36Å; E191-K194 IonicContact OE1-NZ 3.7Å; E191-K194 PolarHBondContact OE1-NZ 3.33Å; E191-K194 VanDerWaalsContact OE2-CE 3.27Å; E191-K194 WeakPolarHBondContact OE2-CE 3.45Å; E191-K194 IonicContact OE2-NZ 3.44Å; E191-K194 PolarHBondContact OE2-NZ 2.94Å; E191-T195 PolarHBondContact O-N 3.28Å; E191-T195 PolarHBondContact O-OG1 3.35Å |
| 192 | L | 98.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 31 Ų | 31 | 20% | 0.204 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -43.2 | 175.3 | -68.2 | 172.7 | 0 | 0 | 0 | 111.3 | W142 Y149 L153 R188 E189 R190 K194 T195 V196 | W142-L192 HydrophobicContact CH2-CD1 3.59Å; W142-L192 HydrophobicContact CZ2-CD1 4.04Å; Y149-L192 VanDerWaalsContact CB-CD1 3.43Å; Y149-L192 HydrophobicContact CD1-CB 4.16Å; Y149-L192 HydrophobicContact CD2-CD1 4.09Å; Y149-L192 HydrophobicContact CG-CB 4.01Å; Y149-L192 HydrophobicContact CG-CD1 3.92Å; L153-L192 HydrophobicContact CD1-CD2 3.76Å; R188-L192 WeakPolarHBondContact O-CG 3.45Å; R188-L192 PolarHBondContact O-N 3.25Å; E189-L192 PolarHBondContact O-N 3.18Å; R190-L192 PolarHBondContact O-N 2.89Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 3.16Å; L192-T195 PolarHBondContact O-N 2.66Å; L192-V196 VanDerWaalsContact O-CG2 3.31Å; L192-V196 WeakPolarHBondContact O-CG2 3.46Å; L192-V196 PolarHBondContact O-N 2.93Å |
| 193 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | 175 | -74.2 | 168.5 | 0 | 0 | 0 | 111.9 | Y149 L178 L181 F182 E189 R190 T195 V196 V197 | Y149-L193 HydrophobicContact CE1-CD2 3.71Å; Y149-L193 HydrophobicContact CE1-CG 4.06Å; L178-L193 HydrophobicContact CD1-CD2 3.39Å; L178-L193 HydrophobicContact CG-CD2 4.06Å; L181-L193 VanDerWaalsContact C-CD1 3.48Å; L181-L193 HydrophobicContact CB-CD1 3.55Å; L181-L193 HydrophobicContact CB-CD2 4.06Å; L181-L193 HydrophobicContact CB-CG 4.47Å; L181-L193 HydrophobicContact CD1-CD2 4.2Å; L181-L193 VanDerWaalsContact O-CD1 3.31Å; L181-L193 WeakPolarHBondContact O-CD1 3.22Å; F182-L193 HydrophobicContact CD2-CB 4.15Å; F182-L193 HydrophobicContact CD2-CD1 4.32Å; F182-L193 HydrophobicContact CE1-CB 4.24Å; F182-L193 HydrophobicContact CE2-CB 3.67Å; F182-L193 VanDerWaalsContact CZ-C 3.48Å; F182-L193 HydrophobicContact CZ-CB 3.74Å; E189-L193 HydrophobicContact CG-CD1 3.85Å; E189-L193 HydrophobicContact CG-CG 4.3Å; E189-L193 WeakPolarHBondContact O-CB 3.28Å; E189-L193 VanDerWaalsContact O-CG 3.27Å; E189-L193 WeakPolarHBondContact O-CG 3.44Å; E189-L193 PolarHBondContact O-N 3.15Å; R190-L193 PolarHBondContact O-N 3.24Å; L193-T195 VanDerWaalsContact C-N 3.31Å; L193-T195 PolarHBondContact O-N 3.32Å; L193-V196 PolarHBondContact O-N 3.13Å; L193-V197 WeakPolarHBondContact O-CB 3.42Å; L193-V197 PolarHBondContact O-N 2.66Å |
| 194 | K | 98.5 | Very high | 96.9 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 11% | 0.109 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -51 | -53.3 | 174.4 | -173.8 | -176.4 | 69.4 | -173.2 | 0 | 110.8 | F182 R190 E191 L192 H198 E234 E237 I238 | F182-K194 HydrophobicContact CE1-CB 4.39Å; R190-K194 WeakPolarHBondContact O-CB 3.42Å; R190-K194 PolarHBondContact O-N 2.9Å; E191-K194 VanDerWaalsContact CD-CE 3.49Å; E191-K194 WeakPolarHBondContact O-CB 3.47Å; E191-K194 WeakPolarHBondContact OE1-CE 3.36Å; E191-K194 IonicContact OE1-NZ 3.7Å; E191-K194 PolarHBondContact OE1-NZ 3.33Å; E191-K194 VanDerWaalsContact OE2-CE 3.27Å; E191-K194 WeakPolarHBondContact OE2-CE 3.45Å; E191-K194 IonicContact OE2-NZ 3.44Å; E191-K194 PolarHBondContact OE2-NZ 2.94Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 3.16Å; K194-H198 VanDerWaalsContact O-CB 3.32Å; K194-H198 WeakPolarHBondContact O-CB 3.34Å; K194-H198 PolarHBondContact O-N 2.96Å; K194-E234 HydrophobicContact CB-CB 4.15Å; K194-E234 HydrophobicContact CD-CB 4.1Å; K194-E234 HydrophobicContact CD-CG 4.35Å; K194-E234 HydrophobicContact CG-CB 4.2Å; K194-E237 HydrophobicContact CD-CB 3.92Å; K194-E237 HydrophobicContact CD-CG 4.45Å; K194-E237 IonicContact NZ-OE1 3.07Å; K194-E237 PolarHBondContact NZ-OE1 3.04Å; K194-E237 IonicContact NZ-OE2 3.83Å; K194-E237 PolarHBondContact NZ-OE2 2.91Å; K194-I238 HydrophobicContact CG-CD1 4.14Å; K194-I238 HydrophobicContact CG-CG1 3.82Å |
| 195 | T | 98.3 | Very high | 97 | Very high | 38 Ų | 38 | 37.8 Ų | 37.8 | 23% | 0.233 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | -178.8 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | L153 E191 L192 L193 H198 R199 | L153-T195 HydrophobicContact CD1-CG2 4.24Å; L153-T195 HydrophobicContact CD2-CG2 3.54Å; E191-T195 PolarHBondContact O-N 3.28Å; E191-T195 PolarHBondContact O-OG1 3.35Å; L192-T195 PolarHBondContact O-N 2.66Å; L193-T195 VanDerWaalsContact C-N 3.31Å; L193-T195 PolarHBondContact O-N 3.32Å; T195-H198 PolarHBondContact O-N 3.4Å; T195-R199 VanDerWaalsContact O-CG 3.32Å; T195-R199 WeakPolarHBondContact O-CG 3.34Å; T195-R199 PolarHBondContact O-N 3.42Å |
| 196 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -51.4 | 178.8 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | F152 L153 L156 L178 L192 L193 H198 R199 I200 | F152-V196 HydrophobicContact CD1-CG1 3.61Å; F152-V196 HydrophobicContact CD1-CG2 4.05Å; F152-V196 HydrophobicContact CE1-CG1 3.3Å; F152-V196 HydrophobicContact CE2-CG1 4.48Å; F152-V196 HydrophobicContact CG-CG1 4.35Å; F152-V196 HydrophobicContact CG-CG2 4.44Å; F152-V196 HydrophobicContact CZ-CG1 3.79Å; L153-V196 HydrophobicContact CD2-CB 4.3Å; L153-V196 HydrophobicContact CD2-CG2 3.48Å; L153-V196 VanDerWaalsContact CD2-CG2 3.48Å; L153-V196 HydrophobicContact CG-CG2 3.79Å; L156-V196 HydrophobicContact CD1-CG1 3.96Å; L178-V196 HydrophobicContact CD2-CG1 3.82Å; L192-V196 VanDerWaalsContact O-CG2 3.31Å; L192-V196 WeakPolarHBondContact O-CG2 3.46Å; L192-V196 PolarHBondContact O-N 2.93Å; L193-V196 PolarHBondContact O-N 3.13Å; V196-H198 VanDerWaalsContact C-N 3.33Å; V196-H198 PolarHBondContact O-N 3.37Å; V196-R199 PolarHBondContact O-N 2.97Å; V196-I200 HydrophobicContact CG1-CD1 3.89Å; V196-I200 WeakPolarHBondContact O-CG1 3.27Å; V196-I200 PolarHBondContact O-N 3.12Å |
| 197 | V | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | -179.6 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | L178 L179 F182 L193 R199 I200 Y201 I211 I238 | L178-V197 HydrophobicContact CD2-CG2 3.53Å; L178-V197 HydrophobicContact CG-CG2 3.92Å; L179-V197 HydrophobicContact CD2-CG1 4.28Å; L179-V197 HydrophobicContact CD2-CG2 4.32Å; F182-V197 HydrophobicContact CE2-CB 4.35Å; F182-V197 HydrophobicContact CE2-CG2 3.63Å; F182-V197 HydrophobicContact CZ-CB 4.22Å; F182-V197 HydrophobicContact CZ-CG2 3.98Å; L193-V197 WeakPolarHBondContact O-CB 3.42Å; L193-V197 PolarHBondContact O-N 2.66Å; V197-R199 VanDerWaalsContact C-N 3.34Å; V197-R199 PolarHBondContact O-N 3.16Å; V197-I200 PolarHBondContact O-N 2.82Å; V197-Y201 WeakPolarHBondContact O-CB 3.4Å; V197-Y201 PolarHBondContact O-N 2.69Å; V197-I211 HydrophobicContact CG1-CG2 4.37Å; V197-I238 HydrophobicContact CB-CD1 4.04Å; V197-I238 HydrophobicContact CG1-CD1 3.94Å |
| 198 | H | 98.4 | Very high | 97.6 | Very high | 59 Ų | 59 | 41.8 Ų | 41.8 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.6 | -175.3 | -156.6 | 0 | 0 | 0 | 111.7 | K194 T195 V196 Y201 G202 I238 S241 | K194-H198 VanDerWaalsContact O-CB 3.32Å; K194-H198 WeakPolarHBondContact O-CB 3.34Å; K194-H198 PolarHBondContact O-N 2.96Å; T195-H198 PolarHBondContact O-N 3.4Å; V196-H198 VanDerWaalsContact C-N 3.33Å; V196-H198 PolarHBondContact O-N 3.37Å; H198-Y201 PolarHBondContact O-N 3.49Å; H198-G202 PolarHBondContact O-N 3.11Å; H198-I238 HydrophobicContact CB-CG1 4.34Å; H198-S241 PolarHBondContact CE1-OG 2.95Å; H198-S241 PolarHBondContact NE2-OG 3.44Å |
| 199 | R | 97.9 | Very high | 97.6 | Very high | 92 Ų | 92 | 41 Ų | 41 | 35% | 0.347 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 175.2 | -66.9 | -62.1 | -175.9 | -119.3 | -1.5 | 112.2 | L156 E157 T195 V196 V197 Y201 G202 K203 | L156-R199 HydrophobicContact CB-CB 4.37Å; L156-R199 HydrophobicContact CD1-CB 4.17Å; E157-R199 HydrophobicContact CG-CG 4.43Å; E157-R199 IonicContact OE1-CZ 2.72Å; E157-R199 VanDerWaalsContact OE1-CZ 3.28Å; E157-R199 IonicContact OE1-NE 3.95Å; E157-R199 PolarHBondContact OE1-NE 3.42Å; E157-R199 IonicContact OE1-NH2 3.75Å; E157-R199 PolarHBondContact OE1-NH2 2.86Å; T195-R199 VanDerWaalsContact O-CG 3.32Å; T195-R199 WeakPolarHBondContact O-CG 3.34Å; T195-R199 PolarHBondContact O-N 3.42Å; V196-R199 PolarHBondContact O-N 2.97Å; V197-R199 VanDerWaalsContact C-N 3.34Å; V197-R199 PolarHBondContact O-N 3.16Å; R199-Y201 PolarHBondContact O-N 2.96Å; R199-G202 PolarHBondContact O-N 3.31Å; R199-K203 WeakPolarHBondContact O-CG 3.22Å; R199-K203 PolarHBondContact O-N 3.13Å |
| 200 | I | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 175.5 | -68.4 | 171.9 | 0 | 0 | 0 | 110.3 | F152 L156 I170 V175 L178 V196 V197 G202 K203 F204 L207 I211 | F152-I200 HydrophobicContact CZ-CD1 4.05Å; L156-I200 HydrophobicContact CD1-CD1 4.41Å; L156-I200 HydrophobicContact CD1-CG1 3.86Å; L156-I200 HydrophobicContact CD2-CG1 4.36Å; I170-I200 HydrophobicContact CG2-CD1 4.43Å; I170-I200 HydrophobicContact CG2-CG2 4.42Å; V175-I200 HydrophobicContact CG2-CG2 4.31Å; L178-I200 HydrophobicContact CD2-CD1 3.64Å; V196-I200 HydrophobicContact CG1-CD1 3.89Å; V196-I200 WeakPolarHBondContact O-CG1 3.27Å; V196-I200 PolarHBondContact O-N 3.12Å; V197-I200 PolarHBondContact O-N 2.82Å; I200-G202 VanDerWaalsContact C-N 3.28Å; I200-G202 PolarHBondContact O-N 3.43Å; I200-K203 PolarHBondContact O-N 2.73Å; I200-F204 HydrophobicContact CB-CD2 4.31Å; I200-F204 HydrophobicContact CG2-CD2 3.8Å; I200-F204 HydrophobicContact CG2-CE2 4.41Å; I200-F204 WeakPolarHBondContact O-CB 3.2Å; I200-F204 WeakPolarHBondContact O-CD2 3.36Å; I200-F204 PolarHBondContact O-N 2.76Å; I200-L207 HydrophobicContact CG2-CD1 4.11Å; I200-I211 HydrophobicContact CG2-CD1 4.22Å |
| 201 | Y | 98.1 | Very high | 97.6 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 7% | 0.071 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -40.7 | 177.2 | -176.2 | -86.8 | 0 | 0 | 0 | 112.4 | V197 H198 R199 R208 I211 R212 I242 | V197-Y201 WeakPolarHBondContact O-CB 3.4Å; V197-Y201 PolarHBondContact O-N 2.69Å; H198-Y201 PolarHBondContact O-N 3.49Å; R199-Y201 PolarHBondContact O-N 2.96Å; Y201-R208 HydrophobicContact CD1-CG 4.3Å; Y201-R208 HydrophobicContact CD2-CB 4.15Å; Y201-R208 HydrophobicContact CD2-CG 3.89Å; Y201-R208 HydrophobicContact CE1-CG 4.03Å; Y201-R208 HydrophobicContact CE2-CB 3.54Å; Y201-R208 HydrophobicContact CE2-CG 3.6Å; Y201-R208 HydrophobicContact CG-CG 4.23Å; Y201-R208 WeakPolarHBondContact O-CG 3.44Å; Y201-R208 PolarHBondContact O-NE 3.3Å; Y201-I211 HydrophobicContact CD2-CB 4.12Å; Y201-I211 HydrophobicContact CD2-CD1 3.99Å; Y201-I211 HydrophobicContact CD2-CG2 4.02Å; Y201-R212 HydrophobicContact CE2-CG 4.07Å; Y201-R212 PolarHBondContact OH-NH1 3.42Å; Y201-I242 HydrophobicContact CD1-CD1 3.82Å; Y201-I242 HydrophobicContact CD1-CG1 3.75Å; Y201-I242 HydrophobicContact CD2-CD1 3.71Å; Y201-I242 HydrophobicContact CE1-CB 4.33Å; Y201-I242 HydrophobicContact CE1-CD1 3.73Å; Y201-I242 HydrophobicContact CE1-CG1 3.46Å; Y201-I242 VanDerWaalsContact CE1-CG1 3.46Å; Y201-I242 HydrophobicContact CE1-CG2 4.12Å; Y201-I242 HydrophobicContact CE2-CD1 3.6Å; Y201-I242 HydrophobicContact CE2-CG1 4.27Å; Y201-I242 HydrophobicContact CG-CD1 3.82Å; Y201-I242 HydrophobicContact CG-CG1 4.27Å; Y201-I242 VanDerWaalsContact OH-CG2 3.28Å; Y201-I242 WeakPolarHBondContact OH-CG2 3.29Å |
| 202 | G | 96.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 37% | 0.371 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63 | -50.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H198 R199 I200 R208 | H198-G202 PolarHBondContact O-N 3.11Å; R199-G202 PolarHBondContact O-N 3.31Å; I200-G202 VanDerWaalsContact C-N 3.28Å; I200-G202 PolarHBondContact O-N 3.43Å; G202-R208 PolarHBondContact O-NH2 3.11Å |
| 203 | K | 96.6 | Very high | 97.6 | Very high | 71 Ų | 71 | 43 Ų | 43 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -82.4 | -29 | -172.3 | -64.6 | -160.2 | 174 | -152.1 | 0 | 114.6 | L156 F161 P163 R199 I200 | L156-K203 WeakPolarHBondContact O-CD 3.32Å; L156-K203 WeakPolarHBondContact O-CE 3.46Å; L156-K203 PolarHBondContact O-NZ 2.81Å; F161-K203 HydrophobicContact CD1-CD 3.72Å; F161-K203 HydrophobicContact CE1-CD 3.84Å; P163-K203 HydrophobicContact CG-CB 4.4Å; R199-K203 WeakPolarHBondContact O-CG 3.22Å; R199-K203 PolarHBondContact O-N 3.13Å; I200-K203 PolarHBondContact O-N 2.73Å |
| 204 | F | 97.2 | Very high | 97.6 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | trans | -109 | 85 | -175.8 | -64.2 | -87.5 | 0 | 0 | 0 | 112.1 | L156 F161 P163 A166 K167 I170 I200 G206 L207 | L156-F204 HydrophobicContact CD2-CE2 4.47Å; F161-F204 HydrophobicContact CE1-CE2 4.22Å; F161-F204 HydrophobicContact CE1-CZ 4.06Å; F161-F204 AromaticContact CZ-CE2 3.99Å; F161-F204 HydrophobicContact CZ-CE2 3.99Å; F161-F204 AromaticContact CZ-CZ 3.69Å; F161-F204 HydrophobicContact CZ-CZ 3.69Å; P163-F204 HydrophobicContact CB-CD1 4.42Å; P163-F204 HydrophobicContact CB-CE1 4.22Å; P163-F204 WeakPolarHBondContact O-CE1 3.23Å; A166-F204 HydrophobicContact CB-CE1 3.97Å; A166-F204 HydrophobicContact CB-CZ 3.64Å; K167-F204 HydrophobicContact CB-CE1 4.27Å; I170-F204 HydrophobicContact CB-CZ 4.22Å; I170-F204 HydrophobicContact CD1-CE2 4.17Å; I170-F204 HydrophobicContact CD1-CZ 3.95Å; I170-F204 HydrophobicContact CG2-CE2 4.4Å; I170-F204 HydrophobicContact CG2-CZ 4.44Å; I200-F204 HydrophobicContact CB-CD2 4.31Å; I200-F204 HydrophobicContact CG2-CD2 3.8Å; I200-F204 HydrophobicContact CG2-CE2 4.41Å; I200-F204 WeakPolarHBondContact O-CB 3.2Å; I200-F204 WeakPolarHBondContact O-CD2 3.36Å; I200-F204 PolarHBondContact O-N 2.76Å; F204-G206 PolarHBondContact O-N 3.09Å; F204-G206 VanDerWaalsContact O-N 3.13Å; F204-L207 HydrophobicContact CB-CB 4.08Å; F204-L207 HydrophobicContact CB-CD1 3.68Å; F204-L207 HydrophobicContact CB-CG 3.95Å; F204-L207 HydrophobicContact CD1-CD1 4.34Å; F204-L207 HydrophobicContact CD2-CD1 4.5Å; F204-L207 HydrophobicContact CG-CD1 3.96Å; F204-L207 PolarHBondContact O-N 2.81Å | ||
| 205 | L | 95.4 | Very high | 97.6 | Very high | 117 Ų | 117 | 43.5 Ų | 43.5 | 61% | 0.613 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -53.5 | -38 | -180 | -57.6 | -175.5 | 0 | 0 | 0 | 113.2 | L207 R208 | L205-L207 VanDerWaalsContact C-N 3.26Å; L205-L207 PolarHBondContact O-N 3.18Å; L205-R208 VanDerWaalsContact CD2-NH2 3.27Å; L205-R208 PolarHBondContact O-N 3.16Å |
| 206 | G | 96.4 | Very high | 97.6 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 61% | 0.608 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -69.9 | -14.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F204 | F204-G206 PolarHBondContact O-N 3.09Å; F204-G206 VanDerWaalsContact O-N 3.13Å |
| 207 | L | 97.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -96.9 | -11.1 | 177.9 | -63.8 | 176.6 | 0 | 0 | 0 | 112.6 | I170 Q172 V175 I200 F204 L205 S209 F210 I211 | I170-L207 HydrophobicContact CG2-CD1 4.26Å; Q172-L207 HydrophobicContact CG-CD2 4.11Å; V175-L207 HydrophobicContact CG2-CD1 3.93Å; I200-L207 HydrophobicContact CG2-CD1 4.11Å; F204-L207 HydrophobicContact CB-CB 4.08Å; F204-L207 HydrophobicContact CB-CD1 3.68Å; F204-L207 HydrophobicContact CB-CG 3.95Å; F204-L207 HydrophobicContact CD1-CD1 4.34Å; F204-L207 HydrophobicContact CD2-CD1 4.5Å; F204-L207 HydrophobicContact CG-CD1 3.96Å; F204-L207 PolarHBondContact O-N 2.81Å; L205-L207 VanDerWaalsContact C-N 3.26Å; L205-L207 PolarHBondContact O-N 3.18Å; L207-S209 PolarHBondContact O-N 3.2Å; L207-F210 PolarHBondContact O-N 3.02Å; L207-F210 VanDerWaalsContact O-N 3.14Å; L207-I211 HydrophobicContact CB-CD1 4.1Å; L207-I211 WeakPolarHBondContact O-CG1 3.4Å; L207-I211 PolarHBondContact O-N 3.21Å |
| 208 | R | 97.4 | Very high | 97.5 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.9 | -47.2 | -173.5 | -70.1 | -173.3 | 172.9 | -179.2 | 1.7 | 113.6 | Y201 G202 L205 F210 R212 | Y201-R208 HydrophobicContact CD1-CG 4.3Å; Y201-R208 HydrophobicContact CD2-CB 4.15Å; Y201-R208 HydrophobicContact CD2-CG 3.89Å; Y201-R208 HydrophobicContact CE1-CG 4.03Å; Y201-R208 HydrophobicContact CE2-CB 3.54Å; Y201-R208 HydrophobicContact CE2-CG 3.6Å; Y201-R208 HydrophobicContact CG-CG 4.23Å; Y201-R208 WeakPolarHBondContact O-CG 3.44Å; Y201-R208 PolarHBondContact O-NE 3.3Å; G202-R208 PolarHBondContact O-NH2 3.11Å; L205-R208 VanDerWaalsContact CD2-NH2 3.27Å; L205-R208 PolarHBondContact O-N 3.16Å; R208-F210 VanDerWaalsContact C-N 3.32Å; R208-F210 PolarHBondContact O-N 3.26Å; R208-R212 WeakPolarHBondContact O-CG 3.02Å; R208-R212 PolarHBondContact O-N 3.04Å; R208-R212 VanDerWaalsContact O-N 3.11Å |
| 209 | S | 96.2 | Very high | 97.5 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 178.5 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | L207 K213 | L207-S209 PolarHBondContact O-N 3.2Å; S209-K213 WeakPolarHBondContact O-CB 2.96Å; S209-K213 PolarHBondContact O-N 2.93Å |
| 210 | F | 98.1 | Very high | 97.5 | Very high | 26 Ų | 26 | 43.9 Ų | 43.9 | 11% | 0.114 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -49.2 | 177.6 | -177.5 | -96.5 | 0 | 0 | 0 | 111.5 | Q172 V175 L176 L207 R208 R212 K213 Q214 | Q172-F210 HydrophobicContact CB-CD1 4.09Å; Q172-F210 HydrophobicContact CB-CD2 4.14Å; Q172-F210 HydrophobicContact CB-CE1 3.8Å; Q172-F210 HydrophobicContact CB-CE2 3.83Å; Q172-F210 HydrophobicContact CB-CG 4.25Å; Q172-F210 HydrophobicContact CB-CZ 3.67Å; Q172-F210 VanDerWaalsContact CD-CD2 3.44Å; Q172-F210 HydrophobicContact CG-CB 4.32Å; Q172-F210 HydrophobicContact CG-CD1 3.96Å; Q172-F210 HydrophobicContact CG-CD2 3.75Å; Q172-F210 HydrophobicContact CG-CE1 4.18Å; Q172-F210 HydrophobicContact CG-CE2 3.98Å; Q172-F210 HydrophobicContact CG-CG 3.74Å; Q172-F210 HydrophobicContact CG-CZ 4.2Å; Q172-F210 WeakPolarHBondContact O-CE1 3.49Å; Q172-F210 WeakPolarHBondContact O-CZ 3.37Å; V175-F210 HydrophobicContact CB-CD1 4.37Å; V175-F210 HydrophobicContact CB-CE1 4.19Å; V175-F210 HydrophobicContact CG1-CD1 4.01Å; V175-F210 HydrophobicContact CG1-CE1 4.03Å; L176-F210 HydrophobicContact CB-CZ 4.46Å; L207-F210 PolarHBondContact O-N 3.02Å; L207-F210 VanDerWaalsContact O-N 3.14Å; R208-F210 VanDerWaalsContact C-N 3.32Å; R208-F210 PolarHBondContact O-N 3.26Å; F210-R212 PolarHBondContact O-N 2.78Å; F210-K213 PolarHBondContact O-N 3.34Å; F210-K213 VanDerWaalsContact O-N 3.15Å; F210-Q214 HydrophobicContact CD1-CG 4.03Å; F210-Q214 HydrophobicContact CD2-CG 4.45Å; F210-Q214 HydrophobicContact CE1-CG 3.59Å; F210-Q214 HydrophobicContact CE2-CG 4.07Å; F210-Q214 HydrophobicContact CG-CG 4.44Å; F210-Q214 HydrophobicContact CZ-CG 3.61Å; F210-Q214 WeakPolarHBondContact O-CG 3.39Å; F210-Q214 PolarHBondContact O-N 3.13Å |
| 211 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56 | -51.2 | 177.7 | -69 | 165 | 0 | 0 | 0 | 110.6 | V175 V197 I200 Y201 L207 K213 Q214 I215 | V175-I211 HydrophobicContact CG1-CD1 4.43Å; V175-I211 HydrophobicContact CG1-CG1 3.61Å; V197-I211 HydrophobicContact CG1-CG2 4.37Å; I200-I211 HydrophobicContact CG2-CD1 4.22Å; Y201-I211 HydrophobicContact CD2-CB 4.12Å; Y201-I211 HydrophobicContact CD2-CD1 3.99Å; Y201-I211 HydrophobicContact CD2-CG2 4.02Å; L207-I211 HydrophobicContact CB-CD1 4.1Å; L207-I211 WeakPolarHBondContact O-CG1 3.4Å; L207-I211 PolarHBondContact O-N 3.21Å; I211-K213 VanDerWaalsContact C-N 3.3Å; I211-K213 PolarHBondContact O-N 3.37Å; I211-Q214 PolarHBondContact O-N 3.41Å; I211-I215 HydrophobicContact CG2-CD1 3.76Å; I211-I215 HydrophobicContact CG2-CG1 4.41Å; I211-I215 WeakPolarHBondContact O-CG1 3.36Å; I211-I215 PolarHBondContact O-N 2.93Å |
| 212 | R | 98 | Very high | 97.3 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -41.1 | 178.1 | -69.4 | -167.6 | -54.4 | -92.6 | 3.8 | 112.2 | Y201 R208 F210 N216 E253 | Y201-R212 HydrophobicContact CE2-CG 4.07Å; Y201-R212 PolarHBondContact OH-NH1 3.42Å; R208-R212 WeakPolarHBondContact O-CG 3.02Å; R208-R212 PolarHBondContact O-N 3.04Å; R208-R212 VanDerWaalsContact O-N 3.11Å; F210-R212 PolarHBondContact O-N 2.78Å; R212-N216 VanDerWaalsContact O-CB 3.29Å; R212-N216 WeakPolarHBondContact O-CB 3.44Å; R212-N216 PolarHBondContact O-N 3.43Å; R212-E253 IonicContact NH2-OE1 3.02Å; R212-E253 IonicContact NH2-OE2 3.59Å |
| 213 | K | 97.5 | Very high | 97.3 | Very high | 130 Ų | 130 | 48.3 Ų | 48.3 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.4 | -42.3 | 177.7 | -174.8 | 179.7 | 179 | -176.9 | 0 | 111.8 | S209 F210 I211 N216 N217 | S209-K213 WeakPolarHBondContact O-CB 2.96Å; S209-K213 PolarHBondContact O-N 2.93Å; F210-K213 PolarHBondContact O-N 3.34Å; F210-K213 VanDerWaalsContact O-N 3.15Å; I211-K213 VanDerWaalsContact C-N 3.3Å; I211-K213 PolarHBondContact O-N 3.37Å; K213-N216 WeakPolarHBondContact O-CB 3.47Å; K213-N216 PolarHBondContact O-N 3.16Å; K213-N217 VanDerWaalsContact O-CG 3.22Å; K213-N217 PolarHBondContact O-N 3.15Å; K213-N217 PolarHBondContact O-ND2 2.9Å; K213-N217 PolarHBondContact O-OD1 3.18Å |
| 214 | Q | 98.1 | Very high | 97.3 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.7 | -41.6 | 179.6 | -64.1 | -49.8 | -24.7 | 0 | 0 | 112.4 | L176 L179 F210 I211 N216 N217 I218 | L176-Q214 HydrophobicContact CD1-CG 4.35Å; L179-Q214 HydrophobicContact CD1-CB 3.54Å; L179-Q214 HydrophobicContact CD1-CG 4.37Å; F210-Q214 HydrophobicContact CD1-CG 4.03Å; F210-Q214 HydrophobicContact CD2-CG 4.45Å; F210-Q214 HydrophobicContact CE1-CG 3.59Å; F210-Q214 HydrophobicContact CE2-CG 4.07Å; F210-Q214 HydrophobicContact CG-CG 4.44Å; F210-Q214 HydrophobicContact CZ-CG 3.61Å; F210-Q214 WeakPolarHBondContact O-CG 3.39Å; F210-Q214 PolarHBondContact O-N 3.13Å; I211-Q214 PolarHBondContact O-N 3.41Å; Q214-N216 VanDerWaalsContact C-N 3.28Å; Q214-N216 PolarHBondContact O-N 3.32Å; Q214-N217 WeakPolarHBondContact O-CB 3.19Å; Q214-N217 PolarHBondContact O-N 3.33Å; Q214-N217 VanDerWaalsContact O-N 3.13Å; Q214-N217 PolarHBondContact OE1-ND2 3.17Å; Q214-N217 VanDerWaalsContact OE1-ND2 3.15Å; Q214-I218 WeakPolarHBondContact O-CG1 3.44Å; Q214-I218 PolarHBondContact O-N 3.09Å |
| 215 | I | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 173.1 | -65.5 | 173.6 | 0 | 0 | 0 | 110.5 | L179 I211 N217 I218 F219 L235 L239 | L179-I215 HydrophobicContact CD1-CG1 4.49Å; L179-I215 HydrophobicContact CD2-CG1 4.14Å; I211-I215 HydrophobicContact CG2-CD1 3.76Å; I211-I215 HydrophobicContact CG2-CG1 4.41Å; I211-I215 WeakPolarHBondContact O-CG1 3.36Å; I211-I215 PolarHBondContact O-N 2.93Å; I215-N217 PolarHBondContact O-N 3Å; I215-I218 PolarHBondContact O-N 3.04Å; I215-F219 HydrophobicContact CG2-CD2 4.06Å; I215-F219 HydrophobicContact CG2-CE1 4.36Å; I215-F219 HydrophobicContact CG2-CE2 3.7Å; I215-F219 HydrophobicContact CG2-CZ 3.85Å; I215-F219 WeakPolarHBondContact O-CG 3.44Å; I215-F219 PolarHBondContact O-N 3.41Å; I215-L235 HydrophobicContact CD1-CD2 4.13Å; I215-L235 HydrophobicContact CG1-CD2 4.11Å; I215-L235 HydrophobicContact CG2-CB 4.37Å; I215-L235 HydrophobicContact CG2-CD1 4.36Å; I215-L239 HydrophobicContact CG2-CD1 3.74Å; I215-L239 HydrophobicContact CG2-CG 4.33Å |
| 216 | N | 97.6 | Very high | 97 | Very high | 42 Ų | 42 | 55 Ų | 55 | 23% | 0.225 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 173.6 | -179.6 | 14.4 | 0 | 0 | 0 | 112 | R212 K213 Q214 I218 F219 L220 F257 V261 | R212-N216 VanDerWaalsContact O-CB 3.29Å; R212-N216 WeakPolarHBondContact O-CB 3.44Å; R212-N216 PolarHBondContact O-N 3.43Å; K213-N216 WeakPolarHBondContact O-CB 3.47Å; K213-N216 PolarHBondContact O-N 3.16Å; Q214-N216 VanDerWaalsContact C-N 3.28Å; Q214-N216 PolarHBondContact O-N 3.32Å; N216-I218 VanDerWaalsContact C-N 3.33Å; N216-I218 PolarHBondContact O-N 3.23Å; N216-F219 PolarHBondContact O-N 2.99Å; N216-L220 WeakPolarHBondContact O-CG 3.44Å; N216-L220 PolarHBondContact O-N 3.18Å; N216-L220 WeakPolarHBondContact OD1-CD1 3.46Å; N216-L220 WeakPolarHBondContact OD1-CG 3.38Å; N216-F257 HydrophobicContact CB-CD2 4.32Å; N216-F257 HydrophobicContact CB-CE2 4.27Å; N216-V261 WeakPolarHBondContact OD1-CG2 3.42Å |
| 217 | N | 97.7 | Very high | 96.6 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 176.7 | -66.1 | -22.4 | 0 | 0 | 0 | 112.3 | K213 Q214 I215 L220 R221 | K213-N217 VanDerWaalsContact O-CG 3.22Å; K213-N217 PolarHBondContact O-N 3.15Å; K213-N217 PolarHBondContact O-ND2 2.9Å; K213-N217 PolarHBondContact O-OD1 3.18Å; Q214-N217 WeakPolarHBondContact O-CB 3.19Å; Q214-N217 PolarHBondContact O-N 3.33Å; Q214-N217 VanDerWaalsContact O-N 3.13Å; Q214-N217 PolarHBondContact OE1-ND2 3.17Å; Q214-N217 VanDerWaalsContact OE1-ND2 3.15Å; I215-N217 PolarHBondContact O-N 3Å; N217-L220 PolarHBondContact O-N 3.37Å; N217-R221 WeakPolarHBondContact O-CB 3.4Å; N217-R221 PolarHBondContact O-N 3.38Å |
| 218 | I | 98 | Very high | 96.2 | Very high | 34 Ų | 34 | 60.4 Ų | 60.4 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 176.1 | -69.4 | 167 | 0 | 0 | 0 | 109.9 | L179 Q214 I215 N216 R221 F222 F229 L235 | L179-I218 HydrophobicContact CB-CD1 4.1Å; Q214-I218 WeakPolarHBondContact O-CG1 3.44Å; Q214-I218 PolarHBondContact O-N 3.09Å; I215-I218 PolarHBondContact O-N 3.04Å; N216-I218 VanDerWaalsContact C-N 3.33Å; N216-I218 PolarHBondContact O-N 3.23Å; I218-R221 PolarHBondContact O-N 2.99Å; I218-F222 WeakPolarHBondContact O-CB 3.38Å; I218-F222 PolarHBondContact O-N 3.13Å; I218-F229 HydrophobicContact CG2-CD1 4.03Å; I218-F229 HydrophobicContact CG2-CD2 4.05Å; I218-F229 HydrophobicContact CG2-CE1 3.78Å; I218-F229 HydrophobicContact CG2-CE2 3.8Å; I218-F229 HydrophobicContact CG2-CG 4.15Å; I218-F229 HydrophobicContact CG2-CZ 3.64Å; I218-L235 HydrophobicContact CD1-CD1 4.38Å; I218-L235 HydrophobicContact CG2-CD1 4.12Å |
| 219 | F | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.5 | -68.9 | -16.9 | 0 | 0 | 0 | 113.1 | I215 N216 R221 F222 I223 V232 L235 L236 L239 F257 V261 L265 | I215-F219 HydrophobicContact CG2-CD2 4.06Å; I215-F219 HydrophobicContact CG2-CE1 4.36Å; I215-F219 HydrophobicContact CG2-CE2 3.7Å; I215-F219 HydrophobicContact CG2-CZ 3.85Å; I215-F219 WeakPolarHBondContact O-CG 3.44Å; I215-F219 PolarHBondContact O-N 3.41Å; N216-F219 PolarHBondContact O-N 2.99Å; F219-R221 VanDerWaalsContact C-N 3.35Å; F219-R221 PolarHBondContact O-N 3.22Å; F219-F222 PolarHBondContact O-N 3.01Å; F219-I223 HydrophobicContact CB-CD1 4.44Å; F219-I223 WeakPolarHBondContact O-CB 3.24Å; F219-I223 VanDerWaalsContact O-CD1 3.28Å; F219-I223 WeakPolarHBondContact O-CD1 3.46Å; F219-I223 WeakPolarHBondContact O-CG1 3.23Å; F219-I223 PolarHBondContact O-N 3.15Å; F219-V232 HydrophobicContact CE1-CG1 4.04Å; F219-L235 HydrophobicContact CE1-CB 3.94Å; F219-L235 HydrophobicContact CE1-CD1 3.98Å; F219-L235 HydrophobicContact CZ-CB 3.75Å; F219-L235 HydrophobicContact CZ-CD1 4.49Å; F219-L236 HydrophobicContact CE2-CD2 3.92Å; F219-L236 HydrophobicContact CE2-CG 4.4Å; F219-L236 HydrophobicContact CZ-CD2 3.98Å; F219-L236 HydrophobicContact CZ-CG 3.94Å; F219-L239 HydrophobicContact CD2-CD1 4.41Å; F219-L239 HydrophobicContact CE2-CD1 3.38Å; F219-L239 HydrophobicContact CZ-CD1 3.96Å; F219-F257 HydrophobicContact CD2-CE2 4.37Å; F219-F257 HydrophobicContact CD2-CZ 4.32Å; F219-F257 HydrophobicContact CE2-CZ 4.35Å; F219-V261 HydrophobicContact CB-CG1 3.47Å; F219-V261 VanDerWaalsContact CB-CG1 3.47Å; F219-V261 HydrophobicContact CD2-CG1 3.67Å; F219-V261 HydrophobicContact CG-CG1 4.07Å; F219-L265 HydrophobicContact CD2-CD1 4.06Å; F219-L265 HydrophobicContact CE2-CD1 4.18Å; F219-L265 HydrophobicContact CG-CD1 4.36Å |
| 220 | L | 97.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 57.1 Ų | 57.1 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 176.4 | -71.6 | 172.6 | 0 | 0 | 0 | 111.5 | N216 N217 I223 Y224 V261 | N216-L220 WeakPolarHBondContact O-CG 3.44Å; N216-L220 PolarHBondContact O-N 3.18Å; N216-L220 WeakPolarHBondContact OD1-CD1 3.46Å; N216-L220 WeakPolarHBondContact OD1-CG 3.38Å; N217-L220 PolarHBondContact O-N 3.37Å; L220-I223 PolarHBondContact O-N 3.11Å; L220-Y224 HydrophobicContact CD2-CD2 4.08Å; L220-Y224 HydrophobicContact CD2-CE2 3.7Å; L220-Y224 WeakPolarHBondContact O-CB 3.29Å; L220-Y224 WeakPolarHBondContact O-CD2 3.46Å; L220-Y224 PolarHBondContact O-N 3.43Å; L220-V261 HydrophobicContact CD2-CG2 4.35Å |
| 221 | R | 97.2 | Very high | 95.7 | Very high | 132 Ų | 132 | 55.9 Ų | 55.9 | 50% | 0.498 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 173.9 | 176.1 | 177.3 | 144.1 | -169.1 | -9.1 | 111.2 | N217 I218 F219 I223 E225 T226 | N217-R221 WeakPolarHBondContact O-CB 3.4Å; N217-R221 PolarHBondContact O-N 3.38Å; I218-R221 PolarHBondContact O-N 2.99Å; F219-R221 VanDerWaalsContact C-N 3.35Å; F219-R221 PolarHBondContact O-N 3.22Å; R221-I223 PolarHBondContact O-N 2.99Å; R221-E225 HydrophobicContact CG-CB 4.2Å; R221-E225 WeakPolarHBondContact O-CA 3.41Å; R221-E225 VanDerWaalsContact O-CB 3.29Å; R221-E225 WeakPolarHBondContact O-CB 3.33Å; R221-E225 PolarHBondContact O-N 3.1Å; R221-T226 HydrophobicContact CG-CG2 4.08Å; R221-T226 PolarHBondContact O-N 3.09Å |
| 222 | F | 96.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -58.5 | -48.3 | 176.4 | 170.7 | -106.9 | 0 | 0 | 0 | 112.1 | I218 F219 E227 F229 V232 L265 A268 F274 | I218-F222 WeakPolarHBondContact O-CB 3.38Å; I218-F222 PolarHBondContact O-N 3.13Å; F219-F222 PolarHBondContact O-N 3.01Å; F222-E227 WeakPolarHBondContact CE2-O 3.38Å; F222-E227 WeakPolarHBondContact O-CA 3.39Å; F222-E227 PolarHBondContact O-N 3.39Å; F222-F229 HydrophobicContact CB-CB 4.44Å; F222-F229 HydrophobicContact CD2-CB 3.79Å; F222-F229 HydrophobicContact CE2-CB 4.48Å; F222-F229 HydrophobicContact CG-CB 4.37Å; F222-V232 HydrophobicContact CD1-CG2 4.14Å; F222-V232 HydrophobicContact CD2-CG2 4.25Å; F222-V232 HydrophobicContact CE1-CG2 4.05Å; F222-V232 HydrophobicContact CE2-CG2 4.16Å; F222-V232 HydrophobicContact CG-CG2 4.24Å; F222-V232 HydrophobicContact CZ-CG2 4.07Å; F222-L265 HydrophobicContact CD1-CD2 3.69Å; F222-L265 HydrophobicContact CE1-CD2 3.85Å; F222-A268 HydrophobicContact CE1-CB 3.81Å; F222-A268 HydrophobicContact CZ-CB 3.85Å; F222-F274 HydrophobicContact CE1-CE1 4.12Å; F222-F274 AromaticContact CE1-CZ 3.96Å; F222-F274 HydrophobicContact CE1-CZ 3.96Å; F222-F274 AromaticContact CZ-CE1 3.93Å; F222-F274 HydrophobicContact CZ-CE1 3.93Å; F222-F274 HydrophobicContact CZ-CZ 4.18Å |
| 223 | I | 96.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -69.7 | -38.5 | -175.3 | -64.5 | 158.7 | 0 | 0 | 0 | 112.6 | F219 L220 R221 V261 P264 L265 | F219-I223 HydrophobicContact CB-CD1 4.44Å; F219-I223 WeakPolarHBondContact O-CB 3.24Å; F219-I223 VanDerWaalsContact O-CD1 3.28Å; F219-I223 WeakPolarHBondContact O-CD1 3.46Å; F219-I223 WeakPolarHBondContact O-CG1 3.23Å; F219-I223 PolarHBondContact O-N 3.15Å; L220-I223 PolarHBondContact O-N 3.11Å; R221-I223 PolarHBondContact O-N 2.99Å; I223-V261 HydrophobicContact CD1-CG1 4.27Å; I223-P264 HydrophobicContact CD1-CB 4.33Å; I223-P264 HydrophobicContact CG2-CB 4.16Å; I223-L265 HydrophobicContact CD1-CD2 3.73Å; I223-L265 HydrophobicContact CD1-CG 3.82Å; I223-L265 HydrophobicContact CG1-CD2 3.6Å; I223-L265 HydrophobicContact CG1-CG 4.18Å |
| 224 | Y | 95.6 | Very high | 95.7 | Very high | 135 Ų | 135 | 48.9 Ų | 48.9 | 53% | 0.529 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -113 | -16.7 | -165.8 | -62.6 | -63.7 | 0 | 0 | 0 | 114.7 | L220 | L220-Y224 HydrophobicContact CD2-CD2 4.08Å; L220-Y224 HydrophobicContact CD2-CE2 3.7Å; L220-Y224 WeakPolarHBondContact O-CB 3.29Å; L220-Y224 WeakPolarHBondContact O-CD2 3.46Å; L220-Y224 PolarHBondContact O-N 3.43Å |
| 225 | E | 95.5 | Very high | 95.7 | Very high | 151 Ų | 151 | 47.3 Ų | 47.3 | 71% | 0.706 | 22% | 0.223 | S | C | * | . | I | π-helix | trans | -119.9 | -56.3 | -173.9 | -57.5 | 176.7 | -158.2 | 0 | 0 | 112.6 | R221 | R221-E225 HydrophobicContact CG-CB 4.2Å; R221-E225 WeakPolarHBondContact O-CA 3.41Å; R221-E225 VanDerWaalsContact O-CB 3.29Å; R221-E225 WeakPolarHBondContact O-CB 3.33Å; R221-E225 PolarHBondContact O-N 3.1Å |
| 226 | T | 91.2 | Very high | 95.8 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -104.1 | -31.9 | -167.2 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | R221 Q228 | R221-T226 HydrophobicContact CG-CG2 4.08Å; R221-T226 PolarHBondContact O-N 3.09Å; T226-Q228 PolarHBondContact O-N 2.97Å; T226-Q228 PolarHBondContact OG1-N 3.26Å; T226-Q228 PolarHBondContact OG1-O 3.46Å |
| 227 | E | 88.5 | Confident | 95.8 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 50 | 17.4 | -164.6 | -63.6 | -162.6 | 135.8 | 0 | 0 | 114.1 | F222 K269 | F222-E227 WeakPolarHBondContact CE2-O 3.38Å; F222-E227 WeakPolarHBondContact O-CA 3.39Å; F222-E227 PolarHBondContact O-N 3.39Å; E227-K269 IonicContact OE2-NZ 3.38Å; E227-K269 PolarHBondContact OE2-NZ 3.05Å |
| 228 | Q | 88.6 | Confident | 95.8 | Very high | 112 Ų | 112 | 45.8 Ų | 45.8 | 52% | 0.523 | 21% | 0.213 | S | C | . | . | trans | -132.9 | 119 | -178.1 | -70.9 | -176.7 | -9.1 | 0 | 0 | 109.3 | T226 | T226-Q228 PolarHBondContact O-N 2.97Å; T226-Q228 PolarHBondContact OG1-N 3.26Å; T226-Q228 PolarHBondContact OG1-O 3.46Å | ||
| 229 | F | 93.3 | Very high | 95.9 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | trans | -169.9 | 125.7 | 169.6 | -172.8 | -103.1 | 0 | 0 | 0 | 108.5 | F182 D183 I218 F222 V232 L235 | F182-F229 HydrophobicContact CB-CE1 4.06Å; F182-F229 HydrophobicContact CB-CZ 3.62Å; D183-F229 HydrophobicContact CB-CD2 3.95Å; D183-F229 HydrophobicContact CB-CE2 3.72Å; D183-F229 VanDerWaalsContact OD1-CA 3.28Å; D183-F229 WeakPolarHBondContact OD1-CA 3.5Å; D183-F229 WeakPolarHBondContact OD1-CD2 3.5Å; I218-F229 HydrophobicContact CG2-CD1 4.03Å; I218-F229 HydrophobicContact CG2-CD2 4.05Å; I218-F229 HydrophobicContact CG2-CE1 3.78Å; I218-F229 HydrophobicContact CG2-CE2 3.8Å; I218-F229 HydrophobicContact CG2-CG 4.15Å; I218-F229 HydrophobicContact CG2-CZ 3.64Å; F222-F229 HydrophobicContact CB-CB 4.44Å; F222-F229 HydrophobicContact CD2-CB 3.79Å; F222-F229 HydrophobicContact CE2-CB 4.48Å; F222-F229 HydrophobicContact CG-CB 4.37Å; F229-V232 HydrophobicContact CB-CG2 4.14Å; F229-V232 HydrophobicContact CD1-CG2 3.77Å; F229-V232 HydrophobicContact CG-CG2 4.45Å; F229-L235 HydrophobicContact CE1-CD1 3.62Å; F229-L235 HydrophobicContact CE1-CG 4.46Å; F229-L235 HydrophobicContact CZ-CD1 4.06Å | ||
| 230 | N | 92.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 31% | 0.31 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -36.1 | -172.5 | -67.6 | -44.7 | 0 | 0 | 0 | 113.3 | D183 V232 | D183-N230 PolarHBondContact O-ND2 3.11Å; D183-N230 PolarHBondContact OD1-N 3.13Å; N230-V232 PolarHBondContact O-N 2.94Å |
| 231 | G | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 26 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | F182 E234 L235 | F182-G231 VanDerWaalsContact O-CA 3.24Å; F182-G231 WeakPolarHBondContact O-CA 3.27Å; F182-G231 PolarHBondContact O-N 2.99Å; F182-G231 VanDerWaalsContact O-N 3.11Å; G231-E234 VanDerWaalsContact CA-OE2 3.27Å; G231-E234 WeakPolarHBondContact CA-OE2 3.09Å; G231-L235 VanDerWaalsContact O-CG 3.29Å; G231-L235 WeakPolarHBondContact O-CG 3.17Å; G231-L235 PolarHBondContact O-N 2.61Å; G231-L235 VanDerWaalsContact O-N 3.16Å |
| 232 | V | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | -177.3 | 179 | 0 | 0 | 0 | 0 | 111 | F219 F222 F229 N230 L235 L236 F274 | F219-V232 HydrophobicContact CE1-CG1 4.04Å; F222-V232 HydrophobicContact CD1-CG2 4.14Å; F222-V232 HydrophobicContact CD2-CG2 4.25Å; F222-V232 HydrophobicContact CE1-CG2 4.05Å; F222-V232 HydrophobicContact CE2-CG2 4.16Å; F222-V232 HydrophobicContact CG-CG2 4.24Å; F222-V232 HydrophobicContact CZ-CG2 4.07Å; F229-V232 HydrophobicContact CB-CG2 4.14Å; F229-V232 HydrophobicContact CD1-CG2 3.77Å; F229-V232 HydrophobicContact CG-CG2 4.45Å; N230-V232 PolarHBondContact O-N 2.94Å; V232-L235 PolarHBondContact O-N 3.2Å; V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.42Å; V232-L236 WeakPolarHBondContact O-CG 3.48Å; V232-L236 PolarHBondContact O-N 3.43Å; V232-F274 HydrophobicContact CB-CB 4.39Å; V232-F274 HydrophobicContact CB-CD1 3.83Å; V232-F274 HydrophobicContact CB-CE1 4.28Å; V232-F274 HydrophobicContact CB-CG 4.09Å; V232-F274 HydrophobicContact CG1-CB 4.14Å; V232-F274 HydrophobicContact CG1-CD1 3.7Å; V232-F274 HydrophobicContact CG1-CD2 3.8Å; V232-F274 HydrophobicContact CG1-CE1 3.98Å; V232-F274 HydrophobicContact CG1-CE2 4.08Å; V232-F274 HydrophobicContact CG1-CG 3.6Å; V232-F274 HydrophobicContact CG1-CZ 4.15Å |
| 233 | G | 97.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 6% | 0.062 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L235 L236 E237 | G233-L235 VanDerWaalsContact C-N 3.34Å; G233-L235 PolarHBondContact O-N 3.13Å; G233-L236 WeakPolarHBondContact O-CB 3.28Å; G233-L236 PolarHBondContact O-N 3.04Å; G233-L236 VanDerWaalsContact O-N 3.09Å; G233-E237 PolarHBondContact O-N 3.15Å |
| 234 | E | 98.4 | Very high | 95.9 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | -179 | -63.9 | 85.8 | 163.8 | 0 | 0 | 111.8 | F182 R190 K194 G231 E237 I238 | F182-E234 HydrophobicContact CD1-CB 4.11Å; F182-E234 HydrophobicContact CE1-CB 3.91Å; R190-E234 HydrophobicContact CB-CG 4Å; R190-E234 WeakPolarHBondContact CB-OE1 3.1Å; R190-E234 IonicContact CZ-OE1 3.08Å; R190-E234 IonicContact NE-OE1 2.64Å; R190-E234 PolarHBondContact NE-OE1 3.41Å; R190-E234 IonicContact NE-OE2 3.2Å; R190-E234 IonicContact NH2-OE1 2.64Å; K194-E234 HydrophobicContact CB-CB 4.15Å; K194-E234 HydrophobicContact CD-CB 4.1Å; K194-E234 HydrophobicContact CD-CG 4.35Å; K194-E234 HydrophobicContact CG-CB 4.2Å; G231-E234 VanDerWaalsContact CA-OE2 3.27Å; G231-E234 WeakPolarHBondContact CA-OE2 3.09Å; E234-E237 PolarHBondContact O-N 3.4Å; E234-I238 WeakPolarHBondContact O-CG1 3.44Å; E234-I238 PolarHBondContact O-N 3.31Å |
| 235 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 173 | -70.4 | -178.3 | 0 | 0 | 0 | 112.1 | L179 F182 I215 I218 F219 F229 G231 V232 G233 I238 L239 | L179-L235 HydrophobicContact CD2-CD2 4.09Å; F182-L235 HydrophobicContact CD1-CD2 3.67Å; F182-L235 HydrophobicContact CD1-CG 3.83Å; F182-L235 HydrophobicContact CD2-CD2 4.2Å; F182-L235 HydrophobicContact CE1-CD2 3.65Å; F182-L235 HydrophobicContact CE1-CG 4.18Å; F182-L235 HydrophobicContact CE2-CD2 4.18Å; F182-L235 HydrophobicContact CG-CD2 3.93Å; F182-L235 HydrophobicContact CG-CG 4.24Å; F182-L235 HydrophobicContact CZ-CD2 3.9Å; I215-L235 HydrophobicContact CD1-CD2 4.13Å; I215-L235 HydrophobicContact CG1-CD2 4.11Å; I215-L235 HydrophobicContact CG2-CB 4.37Å; I215-L235 HydrophobicContact CG2-CD1 4.36Å; I218-L235 HydrophobicContact CD1-CD1 4.38Å; I218-L235 HydrophobicContact CG2-CD1 4.12Å; F219-L235 HydrophobicContact CE1-CB 3.94Å; F219-L235 HydrophobicContact CE1-CD1 3.98Å; F219-L235 HydrophobicContact CZ-CB 3.75Å; F219-L235 HydrophobicContact CZ-CD1 4.49Å; F229-L235 HydrophobicContact CE1-CD1 3.62Å; F229-L235 HydrophobicContact CE1-CG 4.46Å; F229-L235 HydrophobicContact CZ-CD1 4.06Å; G231-L235 VanDerWaalsContact O-CG 3.29Å; G231-L235 WeakPolarHBondContact O-CG 3.17Å; G231-L235 PolarHBondContact O-N 2.61Å; G231-L235 VanDerWaalsContact O-N 3.16Å; V232-L235 PolarHBondContact O-N 3.2Å; G233-L235 VanDerWaalsContact C-N 3.34Å; G233-L235 PolarHBondContact O-N 3.13Å; L235-I238 HydrophobicContact CD2-CD1 4.29Å; L235-I238 PolarHBondContact O-N 3.03Å; L235-L239 WeakPolarHBondContact O-CG 3.25Å; L235-L239 PolarHBondContact O-N 2.98Å |
| 236 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 175 | -74.7 | 169.9 | 0 | 0 | 0 | 112.1 | F219 V232 G233 I238 L239 G240 L262 L265 F274 Q277 L278 C281 | F219-L236 HydrophobicContact CE2-CD2 3.92Å; F219-L236 HydrophobicContact CE2-CG 4.4Å; F219-L236 HydrophobicContact CZ-CD2 3.98Å; F219-L236 HydrophobicContact CZ-CG 3.94Å; V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.42Å; V232-L236 WeakPolarHBondContact O-CG 3.48Å; V232-L236 PolarHBondContact O-N 3.43Å; G233-L236 WeakPolarHBondContact O-CB 3.28Å; G233-L236 PolarHBondContact O-N 3.04Å; G233-L236 VanDerWaalsContact O-N 3.09Å; L236-I238 VanDerWaalsContact C-N 3.34Å; L236-I238 PolarHBondContact O-N 3.12Å; L236-L239 HydrophobicContact CD2-CD1 4.31Å; L236-L239 CarbonylContact O-C 3.56Å; L236-L239 PolarHBondContact O-N 3.45Å; L236-L239 VanDerWaalsContact O-N 3.13Å; L236-G240 PolarHBondContact O-N 2.76Å; L236-L262 HydrophobicContact CD2-CD2 3.78Å; L236-L265 HydrophobicContact CD2-CD1 4.08Å; L236-F274 HydrophobicContact CD1-CB 4.18Å; L236-F274 HydrophobicContact CD1-CD2 3.75Å; L236-F274 HydrophobicContact CD1-CG 4.29Å; L236-Q277 HydrophobicContact CB-CB 3.7Å; L236-Q277 HydrophobicContact CD1-CB 4.39Å; L236-L278 HydrophobicContact CD1-CB 3.87Å; L236-L278 HydrophobicContact CD1-CD1 4.3Å; L236-L278 HydrophobicContact CD2-CD1 4.07Å; L236-C281 PolarHBondContact O-SG 3.4Å |
| 237 | E | 98.3 | Very high | 96.3 | Very high | 76 Ų | 76 | 33.1 Ų | 33.1 | 36% | 0.355 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 173.6 | -73.6 | -177.2 | -119.9 | 0 | 0 | 112.2 | K194 G233 E234 L239 G240 S241 Q277 | K194-E237 HydrophobicContact CD-CB 3.92Å; K194-E237 HydrophobicContact CD-CG 4.45Å; K194-E237 IonicContact NZ-OE1 3.07Å; K194-E237 PolarHBondContact NZ-OE1 3.04Å; K194-E237 IonicContact NZ-OE2 3.83Å; K194-E237 PolarHBondContact NZ-OE2 2.91Å; G233-E237 PolarHBondContact O-N 3.15Å; E234-E237 PolarHBondContact O-N 3.4Å; E237-L239 VanDerWaalsContact C-N 3.3Å; E237-L239 PolarHBondContact O-N 3.34Å; E237-G240 PolarHBondContact O-N 2.93Å; E237-S241 PolarHBondContact O-N 2.66Å; E237-Q277 HydrophobicContact CG-CB 4.4Å; E237-Q277 HydrophobicContact CG-CG 3.58Å |
| 238 | I | 98.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 173.7 | -64.4 | 161.9 | 0 | 0 | 0 | 109.7 | F182 K194 V197 H198 E234 L235 L236 G240 S241 I242 | F182-I238 HydrophobicContact CE1-CD1 4.11Å; F182-I238 HydrophobicContact CZ-CD1 3.85Å; K194-I238 HydrophobicContact CG-CD1 4.14Å; K194-I238 HydrophobicContact CG-CG1 3.82Å; V197-I238 HydrophobicContact CB-CD1 4.04Å; V197-I238 HydrophobicContact CG1-CD1 3.94Å; H198-I238 HydrophobicContact CB-CG1 4.34Å; E234-I238 WeakPolarHBondContact O-CG1 3.44Å; E234-I238 PolarHBondContact O-N 3.31Å; L235-I238 HydrophobicContact CD2-CD1 4.29Å; L235-I238 PolarHBondContact O-N 3.03Å; L236-I238 VanDerWaalsContact C-N 3.34Å; L236-I238 PolarHBondContact O-N 3.12Å; I238-G240 PolarHBondContact O-N 3.3Å; I238-S241 PolarHBondContact O-N 3.44Å; I238-I242 HydrophobicContact CG2-CD1 3.69Å; I238-I242 HydrophobicContact CG2-CG1 4.34Å; I238-I242 VanDerWaalsContact O-CG1 3.28Å; I238-I242 WeakPolarHBondContact O-CG1 3.5Å; I238-I242 PolarHBondContact O-N 3.25Å |
| 239 | L | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | -179.9 | -75.1 | 168.7 | 0 | 0 | 0 | 112.6 | I215 F219 L235 L236 E237 S241 I242 I243 F257 | I215-L239 HydrophobicContact CG2-CD1 3.74Å; I215-L239 HydrophobicContact CG2-CG 4.33Å; F219-L239 HydrophobicContact CD2-CD1 4.41Å; F219-L239 HydrophobicContact CE2-CD1 3.38Å; F219-L239 HydrophobicContact CZ-CD1 3.96Å; L235-L239 WeakPolarHBondContact O-CG 3.25Å; L235-L239 PolarHBondContact O-N 2.98Å; L236-L239 HydrophobicContact CD2-CD1 4.31Å; L236-L239 CarbonylContact O-C 3.56Å; L236-L239 PolarHBondContact O-N 3.45Å; L236-L239 VanDerWaalsContact O-N 3.13Å; E237-L239 VanDerWaalsContact C-N 3.3Å; E237-L239 PolarHBondContact O-N 3.34Å; L239-S241 VanDerWaalsContact C-N 3.32Å; L239-S241 PolarHBondContact O-N 3.19Å; L239-I242 HydrophobicContact CD2-CD1 4.5Å; L239-I242 CarbonylContact O-C 3.36Å; L239-I242 WeakPolarHBondContact O-CA 3.34Å; L239-I242 WeakPolarHBondContact O-CB 3.49Å; L239-I242 PolarHBondContact O-N 3.38Å; L239-I243 HydrophobicContact CB-CD1 4.35Å; L239-I243 WeakPolarHBondContact O-CB 3.24Å; L239-I243 WeakPolarHBondContact O-CD1 3.45Å; L239-I243 WeakPolarHBondContact O-CG1 3.44Å; L239-I243 PolarHBondContact O-N 2.93Å; L239-F257 HydrophobicContact CD1-CE1 4.2Å; L239-F257 HydrophobicContact CD1-CZ 3.65Å; L239-F257 HydrophobicContact CD2-CE1 4.4Å; L239-F257 HydrophobicContact CD2-CZ 4.28Å |
| 240 | G | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L236 E237 I238 I243 N244 | L236-G240 PolarHBondContact O-N 2.76Å; E237-G240 PolarHBondContact O-N 2.93Å; I238-G240 PolarHBondContact O-N 3.3Å; G240-I243 PolarHBondContact O-N 3.41Å; G240-N244 PolarHBondContact O-N 3.45Å; G240-N244 VanDerWaalsContact O-N 3.11Å |
| 241 | S | 97 | Very high | 97.3 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 36% | 0.357 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | H198 E237 I238 L239 N244 G245 | H198-S241 PolarHBondContact CE1-OG 2.95Å; H198-S241 PolarHBondContact NE2-OG 3.44Å; E237-S241 PolarHBondContact O-N 2.66Å; I238-S241 PolarHBondContact O-N 3.44Å; L239-S241 VanDerWaalsContact C-N 3.32Å; L239-S241 PolarHBondContact O-N 3.19Å; S241-N244 PolarHBondContact O-N 3.5Å; S241-G245 PolarHBondContact O-N 3.38Å; S241-G245 VanDerWaalsContact O-N 3.16Å |
| 242 | I | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 179 | -69.8 | 173.3 | 0 | 0 | 0 | 112.1 | Y201 I238 L239 G245 F246 | Y201-I242 HydrophobicContact CD1-CD1 3.82Å; Y201-I242 HydrophobicContact CD1-CG1 3.75Å; Y201-I242 HydrophobicContact CD2-CD1 3.71Å; Y201-I242 HydrophobicContact CE1-CB 4.33Å; Y201-I242 HydrophobicContact CE1-CD1 3.73Å; Y201-I242 HydrophobicContact CE1-CG1 3.46Å; Y201-I242 VanDerWaalsContact CE1-CG1 3.46Å; Y201-I242 HydrophobicContact CE1-CG2 4.12Å; Y201-I242 HydrophobicContact CE2-CD1 3.6Å; Y201-I242 HydrophobicContact CE2-CG1 4.27Å; Y201-I242 HydrophobicContact CG-CD1 3.82Å; Y201-I242 HydrophobicContact CG-CG1 4.27Å; Y201-I242 VanDerWaalsContact OH-CG2 3.28Å; Y201-I242 WeakPolarHBondContact OH-CG2 3.29Å; I238-I242 HydrophobicContact CG2-CD1 3.69Å; I238-I242 HydrophobicContact CG2-CG1 4.34Å; I238-I242 VanDerWaalsContact O-CG1 3.28Å; I238-I242 WeakPolarHBondContact O-CG1 3.5Å; I238-I242 PolarHBondContact O-N 3.25Å; L239-I242 HydrophobicContact CD2-CD1 4.5Å; L239-I242 CarbonylContact O-C 3.36Å; L239-I242 WeakPolarHBondContact O-CA 3.34Å; L239-I242 WeakPolarHBondContact O-CB 3.49Å; L239-I242 PolarHBondContact O-N 3.38Å; I242-G245 CarbonylContact O-C 3.34Å; I242-G245 WeakPolarHBondContact O-CA 3.5Å; I242-G245 PolarHBondContact O-N 2.83Å; I242-G245 VanDerWaalsContact O-N 3.12Å; I242-F246 HydrophobicContact CG2-CD1 4.32Å; I242-F246 HydrophobicContact CG2-CE1 3.49Å; I242-F246 VanDerWaalsContact CG2-CE1 3.49Å; I242-F246 HydrophobicContact CG2-CZ 3.93Å; I242-F246 VanDerWaalsContact O-CD1 3.3Å; I242-F246 WeakPolarHBondContact O-CD1 3.35Å; I242-F246 PolarHBondContact O-N 3.03Å |
| 243 | I | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | -178.9 | -67.5 | 157.9 | 0 | 0 | 0 | 109.7 | L239 G240 G245 F246 L262 C281 Q284 F285 K288 | L239-I243 HydrophobicContact CB-CD1 4.35Å; L239-I243 WeakPolarHBondContact O-CB 3.24Å; L239-I243 WeakPolarHBondContact O-CD1 3.45Å; L239-I243 WeakPolarHBondContact O-CG1 3.44Å; L239-I243 PolarHBondContact O-N 2.93Å; G240-I243 PolarHBondContact O-N 3.41Å; I243-G245 PolarHBondContact O-N 2.99Å; I243-F246 HydrophobicContact CB-CD2 4.31Å; I243-F246 HydrophobicContact CB-CE2 4.17Å; I243-F246 HydrophobicContact CG1-CD2 4.42Å; I243-F246 HydrophobicContact CG1-CE2 3.78Å; I243-F246 HydrophobicContact CG1-CZ 4.19Å; I243-F246 HydrophobicContact CG2-CD2 4.21Å; I243-F246 HydrophobicContact CG2-CE2 4.34Å; I243-F246 WeakPolarHBondContact O-CB 3.47Å; I243-F246 WeakPolarHBondContact O-CG 3.28Å; I243-F246 PolarHBondContact O-N 3.06Å; I243-L262 HydrophobicContact CD1-CD1 4.3Å; I243-C281 HydrophobicContact CD1-CB 3.89Å; I243-Q284 HydrophobicContact CB-CB 4.44Å; I243-Q284 HydrophobicContact CG2-CB 3.81Å; I243-F285 HydrophobicContact CD1-CD2 3.77Å; I243-F285 HydrophobicContact CD1-CE2 3.47Å; I243-F285 VanDerWaalsContact CD1-CE2 3.47Å; I243-F285 HydrophobicContact CD1-CZ 4.47Å; I243-F285 HydrophobicContact CG1-CD2 4.14Å; I243-F285 HydrophobicContact CG1-CE2 3.65Å; I243-F285 HydrophobicContact CG1-CZ 4.22Å; I243-F285 HydrophobicContact CG2-CD1 4.47Å; I243-F285 HydrophobicContact CG2-CD2 3.79Å; I243-F285 HydrophobicContact CG2-CE2 4.02Å; I243-F285 HydrophobicContact CG2-CG 4.04Å; I243-F285 HydrophobicContact CG2-CZ 4.48Å; I243-K288 WeakPolarHBondContact O-CE 3.41Å |
| 244 | N | 96.4 | Very high | 97.2 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.2 | -33 | 173.5 | -168.7 | -2.3 | 0 | 0 | 0 | 111.5 | G240 S241 F246 K288 | G240-N244 PolarHBondContact O-N 3.45Å; G240-N244 VanDerWaalsContact O-N 3.11Å; S241-N244 PolarHBondContact O-N 3.5Å; N244-F246 VanDerWaalsContact C-N 3.33Å; N244-F246 PolarHBondContact O-N 3.05Å; N244-K288 WeakPolarHBondContact O-CE 3.49Å; N244-K288 PolarHBondContact O-NZ 2.98Å; N244-K288 PolarHBondContact OD1-NZ 3.42Å |
| 245 | G | 96.2 | Very high | 97.1 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 67% | 0.67 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S241 I242 I243 | S241-G245 PolarHBondContact O-N 3.38Å; S241-G245 VanDerWaalsContact O-N 3.16Å; I242-G245 CarbonylContact O-C 3.34Å; I242-G245 WeakPolarHBondContact O-CA 3.5Å; I242-G245 PolarHBondContact O-N 2.83Å; I242-G245 VanDerWaalsContact O-N 3.12Å; I243-G245 PolarHBondContact O-N 2.99Å |
| 246 | F | 96.8 | Very high | 97 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 136 | -179.7 | -72.2 | -19.9 | 0 | 0 | 0 | 112.7 | I242 I243 N244 L250 H254 F285 | I242-F246 HydrophobicContact CG2-CD1 4.32Å; I242-F246 HydrophobicContact CG2-CE1 3.49Å; I242-F246 VanDerWaalsContact CG2-CE1 3.49Å; I242-F246 HydrophobicContact CG2-CZ 3.93Å; I242-F246 VanDerWaalsContact O-CD1 3.3Å; I242-F246 WeakPolarHBondContact O-CD1 3.35Å; I242-F246 PolarHBondContact O-N 3.03Å; I243-F246 HydrophobicContact CB-CD2 4.31Å; I243-F246 HydrophobicContact CB-CE2 4.17Å; I243-F246 HydrophobicContact CG1-CD2 4.42Å; I243-F246 HydrophobicContact CG1-CE2 3.78Å; I243-F246 HydrophobicContact CG1-CZ 4.19Å; I243-F246 HydrophobicContact CG2-CD2 4.21Å; I243-F246 HydrophobicContact CG2-CE2 4.34Å; I243-F246 WeakPolarHBondContact O-CB 3.47Å; I243-F246 WeakPolarHBondContact O-CG 3.28Å; I243-F246 PolarHBondContact O-N 3.06Å; N244-F246 VanDerWaalsContact C-N 3.33Å; N244-F246 PolarHBondContact O-N 3.05Å; F246-L250 HydrophobicContact CB-CD2 3.85Å; F246-L250 HydrophobicContact CD2-CD2 3.92Å; F246-L250 HydrophobicContact CG-CD2 4.32Å; F246-H254 AromaticContact CD1-CE1 3.46Å; F246-H254 VanDerWaalsContact CD1-CE1 3.46Å; F246-H254 WeakPolarHBondContact CD1-CE1 3.36Å; F246-H254 AromaticContact CD1-ND1 3.82Å; F246-H254 HydrophobicContact CD2-CB 4.27Å; F246-H254 AromaticContact CD2-CE1 3.98Å; F246-H254 AromaticContact CD2-CG 3.94Å; F246-H254 AromaticContact CD2-ND1 3.47Å; F246-H254 WeakPolarHBondContact CD2-ND1 3.5Å; F246-H254 AromaticContact CE1-CE1 3.42Å; F246-H254 VanDerWaalsContact CE1-CE1 3.42Å; F246-H254 WeakPolarHBondContact CE1-CE1 3.48Å; F246-H254 AromaticContact CE1-ND1 3.86Å; F246-H254 AromaticContact CE1-NE2 3.58Å; F246-H254 HydrophobicContact CE2-CB 3.83Å; F246-H254 AromaticContact CE2-CD2 3.98Å; F246-H254 AromaticContact CE2-CE1 3.96Å; F246-H254 AromaticContact CE2-CG 3.55Å; F246-H254 AromaticContact CE2-ND1 3.53Å; F246-H254 AromaticContact CG-CE1 3.75Å; F246-H254 AromaticContact CG-ND1 3.63Å; F246-H254 HydrophobicContact CZ-CB 4.39Å; F246-H254 AromaticContact CZ-CD2 3.66Å; F246-H254 AromaticContact CZ-CE1 3.69Å; F246-H254 AromaticContact CZ-CG 3.72Å; F246-H254 AromaticContact CZ-ND1 3.73Å; F246-H254 AromaticContact CZ-NE2 3.68Å; F246-F285 HydrophobicContact CD2-CE1 4.45Å; F246-F285 HydrophobicContact CE2-CE1 4.18Å; F246-F285 AromaticContact CE2-CZ 3.84Å; F246-F285 HydrophobicContact CE2-CZ 3.84Å |
| 247 | A | 96 | Very high | 97 | Very high | 80 Ų | 80 | 57 Ų | 57 | 66% | 0.661 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 147.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | P249 | A247-P249 CarbonylContact O-C 3.54Š|
| 248 | L | 95.4 | Very high | 97 | Very high | 113 Ų | 113 | 53.4 Ų | 53.4 | 59% | 0.592 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -94.9 | 145.2 | 172.3 | -58.6 | -178.7 | 0 | 0 | 0 | 110.4 | L250 K288 | L248-L250 HydrophobicContact CD2-CD2 4.26Å; L248-L250 HydrophobicContact CD2-CG 4.09Å; L248-K288 HydrophobicContact CD2-CB 4.01Å; L248-K288 HydrophobicContact CD2-CD 4.36Å; L248-K288 WeakPolarHBondContact CD2-O 3.45Å |
| 249 | P | 96.1 | Very high | 97 | Very high | 122 Ų | 122 | 54.4 Ų | 54.4 | 79% | 0.792 | 32% | 0.315 | S | S | * | . | S | Bend | cis | -69.7 | 150.7 | -4.9 | 30.5 | -35.9 | 0 | 0 | 0 | 112.5 | A247 K251 | A247-P249 CarbonylContact O-C 3.54Å; P249-K251 PolarHBondContact O-N 3.31Å |
| 250 | L | 97 | Very high | 96.9 | Very high | 24 Ų | 24 | 60.6 Ų | 60.6 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 136.3 | 177.7 | -70.6 | 177.6 | 0 | 0 | 0 | 111 | F246 L248 T255 F285 K288 D289 L292 | F246-L250 HydrophobicContact CB-CD2 3.85Å; F246-L250 HydrophobicContact CD2-CD2 3.92Å; F246-L250 HydrophobicContact CG-CD2 4.32Å; L248-L250 HydrophobicContact CD2-CD2 4.26Å; L248-L250 HydrophobicContact CD2-CG 4.09Å; L250-T255 HydrophobicContact CB-CG2 4.19Å; L250-F285 HydrophobicContact CD1-CD1 4.14Å; L250-F285 HydrophobicContact CD1-CE1 4.41Å; L250-K288 HydrophobicContact CD1-CB 4.04Å; L250-K288 HydrophobicContact CD2-CB 4.07Å; L250-K288 HydrophobicContact CD2-CG 4.47Å; L250-K288 HydrophobicContact CG-CB 4.27Å; L250-D289 HydrophobicContact CD1-CB 3.64Å; L250-D289 HydrophobicContact CG-CB 4.42Å; L250-L292 HydrophobicContact CD1-CD1 3.76Å |
| 251 | K | 96.5 | Very high | 97 | Very high | 123 Ų | 123 | 60.7 Ų | 60.7 | 54% | 0.535 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 149.2 | 175.2 | -63.5 | -176.5 | 179.5 | -177.4 | 0 | 110.9 | P249 E253 H254 T255 | P249-K251 PolarHBondContact O-N 3.31Å; K251-E253 HydrophobicContact CB-CG 3.76Å; K251-E253 HydrophobicContact CD-CG 4.34Å; K251-E253 WeakPolarHBondContact CD-OE1 3.41Å; K251-E253 PolarHBondContact O-N 3.11Å; K251-E253 VanDerWaalsContact O-N 3.16Å; K251-H254 WeakPolarHBondContact O-CB 3.26Å; K251-H254 PolarHBondContact O-N 2.87Å; K251-T255 PolarHBondContact O-N 3.37Å |
| 252 | S | 96 | Very high | 97 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59 | -27.9 | 176.4 | 60.7 | 0 | 0 | 0 | 0 | 114 | H254 T255 R256 | S252-H254 VanDerWaalsContact C-N 3.32Å; S252-T255 PolarHBondContact O-OG1 2.85Å; S252-R256 VanDerWaalsContact O-CB 3.24Å; S252-R256 WeakPolarHBondContact O-CB 3.06Å; S252-R256 PolarHBondContact O-N 3.41Å |
| 253 | E | 95.8 | Very high | 97.1 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 172.1 | 53.9 | 168 | 162.4 | 0 | 0 | 112.2 | R212 K251 F257 | R212-E253 IonicContact NH2-OE1 3.02Å; R212-E253 IonicContact NH2-OE2 3.59Å; K251-E253 HydrophobicContact CB-CG 3.76Å; K251-E253 HydrophobicContact CD-CG 4.34Å; K251-E253 WeakPolarHBondContact CD-OE1 3.41Å; K251-E253 PolarHBondContact O-N 3.11Å; K251-E253 VanDerWaalsContact O-N 3.16Å; E253-F257 WeakPolarHBondContact O-CB 3.33Å; E253-F257 PolarHBondContact O-N 3.09Å |
| 254 | H | 97.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.069 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75.1 | -44.2 | -178.7 | -55.7 | 165.6 | 0 | 0 | 0 | 111 | F246 K251 S252 R256 F257 L258 F285 | F246-H254 AromaticContact CD1-CE1 3.46Å; F246-H254 VanDerWaalsContact CD1-CE1 3.46Å; F246-H254 WeakPolarHBondContact CD1-CE1 3.36Å; F246-H254 AromaticContact CD1-ND1 3.82Å; F246-H254 HydrophobicContact CD2-CB 4.27Å; F246-H254 AromaticContact CD2-CE1 3.98Å; F246-H254 AromaticContact CD2-CG 3.94Å; F246-H254 AromaticContact CD2-ND1 3.47Å; F246-H254 WeakPolarHBondContact CD2-ND1 3.5Å; F246-H254 AromaticContact CE1-CE1 3.42Å; F246-H254 VanDerWaalsContact CE1-CE1 3.42Å; F246-H254 WeakPolarHBondContact CE1-CE1 3.48Å; F246-H254 AromaticContact CE1-ND1 3.86Å; F246-H254 AromaticContact CE1-NE2 3.58Å; F246-H254 HydrophobicContact CE2-CB 3.83Å; F246-H254 AromaticContact CE2-CD2 3.98Å; F246-H254 AromaticContact CE2-CE1 3.96Å; F246-H254 AromaticContact CE2-CG 3.55Å; F246-H254 AromaticContact CE2-ND1 3.53Å; F246-H254 AromaticContact CG-CE1 3.75Å; F246-H254 AromaticContact CG-ND1 3.63Å; F246-H254 HydrophobicContact CZ-CB 4.39Å; F246-H254 AromaticContact CZ-CD2 3.66Å; F246-H254 AromaticContact CZ-CE1 3.69Å; F246-H254 AromaticContact CZ-CG 3.72Å; F246-H254 AromaticContact CZ-ND1 3.73Å; F246-H254 AromaticContact CZ-NE2 3.68Å; K251-H254 WeakPolarHBondContact O-CB 3.26Å; K251-H254 PolarHBondContact O-N 2.87Å; S252-H254 VanDerWaalsContact C-N 3.32Å; H254-R256 VanDerWaalsContact C-N 3.3Å; H254-R256 PolarHBondContact O-N 2.93Å; H254-F257 WeakPolarHBondContact O-CB 3.42Å; H254-F257 PolarHBondContact O-N 3Å; H254-F257 VanDerWaalsContact O-N 3.13Å; H254-L258 PolarHBondContact O-N 3.1Å; H254-F285 HydrophobicContact CB-CE1 4Å; H254-F285 HydrophobicContact CB-CZ 4.19Å; H254-F285 WeakPolarHBondContact O-CZ 3.34Å |
| 255 | T | 97.1 | Very high | 97.2 | Very high | 39 Ų | 39 | 54.8 Ų | 54.8 | 24% | 0.239 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 176.6 | 60 | 0 | 0 | 0 | 0 | 111.6 | L250 K251 S252 A259 L292 | L250-T255 HydrophobicContact CB-CG2 4.19Å; K251-T255 PolarHBondContact O-N 3.37Å; S252-T255 PolarHBondContact O-OG1 2.85Å; T255-A259 WeakPolarHBondContact O-CB 3.5Å; T255-A259 PolarHBondContact O-N 3.07Å; T255-L292 HydrophobicContact CG2-CD1 4.29Å; T255-L292 HydrophobicContact CG2-CD2 4.08Å |
| 256 | R | 97.1 | Very high | 97.3 | Very high | 170 Ų | 170 | 51.7 Ų | 51.7 | 64% | 0.642 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.9 | -40.6 | 170.8 | -174.2 | -178.2 | -61.4 | 178.6 | 1.1 | 112.2 | S252 H254 A259 K260 | S252-R256 VanDerWaalsContact O-CB 3.24Å; S252-R256 WeakPolarHBondContact O-CB 3.06Å; S252-R256 PolarHBondContact O-N 3.41Å; H254-R256 VanDerWaalsContact C-N 3.3Å; H254-R256 PolarHBondContact O-N 2.93Å; R256-A259 WeakPolarHBondContact O-CB 3.34Å; R256-A259 PolarHBondContact O-N 3.15Å; R256-K260 HydrophobicContact CG-CG 3.93Å; R256-K260 VanDerWaalsContact O-CB 3.29Å; R256-K260 WeakPolarHBondContact O-CB 3.24Å; R256-K260 WeakPolarHBondContact O-CG 3.44Å; R256-K260 PolarHBondContact O-N 3.04Å |
| 257 | F | 98 | Very high | 97.2 | Very high | 26 Ų | 26 | 55 Ų | 55 | 11% | 0.114 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 176.8 | 175.4 | -104.2 | 0 | 0 | 0 | 111.4 | N216 F219 L239 E253 H254 A259 V261 L262 F285 | N216-F257 HydrophobicContact CB-CD2 4.32Å; N216-F257 HydrophobicContact CB-CE2 4.27Å; F219-F257 HydrophobicContact CD2-CE2 4.37Å; F219-F257 HydrophobicContact CD2-CZ 4.32Å; F219-F257 HydrophobicContact CE2-CZ 4.35Å; L239-F257 HydrophobicContact CD1-CE1 4.2Å; L239-F257 HydrophobicContact CD1-CZ 3.65Å; L239-F257 HydrophobicContact CD2-CE1 4.4Å; L239-F257 HydrophobicContact CD2-CZ 4.28Å; E253-F257 WeakPolarHBondContact O-CB 3.33Å; E253-F257 PolarHBondContact O-N 3.09Å; H254-F257 WeakPolarHBondContact O-CB 3.42Å; H254-F257 PolarHBondContact O-N 3Å; H254-F257 VanDerWaalsContact O-N 3.13Å; F257-A259 VanDerWaalsContact C-N 3.34Å; F257-A259 PolarHBondContact O-N 2.69Å; F257-V261 HydrophobicContact CD2-CB 3.82Å; F257-V261 HydrophobicContact CD2-CG1 4.27Å; F257-V261 HydrophobicContact CD2-CG2 3.66Å; F257-V261 HydrophobicContact CE2-CB 3.77Å; F257-V261 HydrophobicContact CE2-CG1 3.74Å; F257-V261 HydrophobicContact CE2-CG2 3.99Å; F257-V261 HydrophobicContact CZ-CB 4.47Å; F257-V261 HydrophobicContact CZ-CG1 4.36Å; F257-V261 WeakPolarHBondContact O-CA 3.44Å; F257-V261 VanDerWaalsContact O-CB 3.24Å; F257-V261 WeakPolarHBondContact O-CB 3.29Å; F257-V261 PolarHBondContact O-N 3.48Å; F257-L262 HydrophobicContact CD1-CD1 4.16Å; F257-L262 HydrophobicContact CD1-CG 4.05Å; F257-L262 HydrophobicContact CE1-CD1 3.8Å; F257-L262 HydrophobicContact CE1-CD2 3.64Å; F257-L262 HydrophobicContact CE1-CG 3.58Å; F257-L262 HydrophobicContact CZ-CD2 3.77Å; F257-L262 HydrophobicContact CZ-CG 4.09Å; F257-L262 PolarHBondContact O-N 3.44Å; F257-F285 HydrophobicContact CD1-CE2 4.23Å; F257-F285 HydrophobicContact CD1-CZ 4.29Å |
| 258 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -52.6 | -52.9 | 171.2 | 174.7 | 64.6 | 0 | 0 | 0 | 111.3 | H254 K260 L262 I263 I282 F285 L292 V296 | H254-L258 PolarHBondContact O-N 3.1Å; L258-K260 PolarHBondContact O-N 3.43Å; L258-L262 HydrophobicContact CD1-CB 4.22Å; L258-L262 HydrophobicContact CD1-CD1 4.11Å; L258-L262 PolarHBondContact O-N 3.34Å; L258-I263 HydrophobicContact CD1-CG1 4.39Å; L258-I263 HydrophobicContact CG-CD1 4.48Å; L258-I263 WeakPolarHBondContact O-CG1 3.48Å; L258-I263 PolarHBondContact O-N 3.13Å; L258-I282 HydrophobicContact CD1-CD1 3.48Å; L258-I282 VanDerWaalsContact CD1-CD1 3.48Å; L258-F285 HydrophobicContact CB-CD1 4.35Å; L258-F285 HydrophobicContact CB-CD2 4.34Å; L258-F285 HydrophobicContact CB-CE1 4.23Å; L258-F285 HydrophobicContact CB-CE2 4.23Å; L258-F285 HydrophobicContact CB-CG 4.4Å; L258-F285 HydrophobicContact CB-CZ 4.16Å; L258-F285 HydrophobicContact CD1-CB 4.25Å; L258-F285 HydrophobicContact CD1-CD2 4.01Å; L258-F285 HydrophobicContact CD1-CG 4.14Å; L258-F285 HydrophobicContact CD2-CB 4.14Å; L258-F285 HydrophobicContact CD2-CD1 4.12Å; L258-F285 HydrophobicContact CD2-CG 4.09Å; L258-F285 HydrophobicContact CG-CG 4.45Å; L258-L292 HydrophobicContact CD2-CB 4.08Å; L258-L292 HydrophobicContact CD2-CD1 3.8Å; L258-L292 HydrophobicContact CD2-CG 4.38Å; L258-V296 HydrophobicContact CD1-CG2 4.09Å; L258-V296 HydrophobicContact CD2-CG2 3.94Å; L258-V296 HydrophobicContact CG-CG2 4.28Å |
| 259 | A | 97.9 | Very high | 96.9 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -63.4 | -42.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T255 R256 F257 | T255-A259 WeakPolarHBondContact O-CB 3.5Å; T255-A259 PolarHBondContact O-N 3.07Å; R256-A259 WeakPolarHBondContact O-CB 3.34Å; R256-A259 PolarHBondContact O-N 3.15Å; F257-A259 VanDerWaalsContact C-N 3.34Å; F257-A259 PolarHBondContact O-N 2.69Å |
| 260 | K | 97.5 | Very high | 96.7 | Very high | 135 Ų | 135 | 49.2 Ų | 49.2 | 59% | 0.587 | 24% | 0.239 | S | C | * | . | I | π-helix | trans | -105.9 | -10.6 | -166 | -61.3 | -59.3 | -175.2 | -179.1 | 0 | 113.2 | R256 L258 | R256-K260 HydrophobicContact CG-CG 3.93Å; R256-K260 VanDerWaalsContact O-CB 3.29Å; R256-K260 WeakPolarHBondContact O-CB 3.24Å; R256-K260 WeakPolarHBondContact O-CG 3.44Å; R256-K260 PolarHBondContact O-N 3.04Å; L258-K260 PolarHBondContact O-N 3.43Å |
| 261 | V | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -128.4 | -63.2 | -175.6 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | N216 F219 L220 I223 F257 I263 P264 L265 | N216-V261 WeakPolarHBondContact OD1-CG2 3.42Å; F219-V261 HydrophobicContact CB-CG1 3.47Å; F219-V261 VanDerWaalsContact CB-CG1 3.47Å; F219-V261 HydrophobicContact CD2-CG1 3.67Å; F219-V261 HydrophobicContact CG-CG1 4.07Å; L220-V261 HydrophobicContact CD2-CG2 4.35Å; I223-V261 HydrophobicContact CD1-CG1 4.27Å; F257-V261 HydrophobicContact CD2-CB 3.82Å; F257-V261 HydrophobicContact CD2-CG1 4.27Å; F257-V261 HydrophobicContact CD2-CG2 3.66Å; F257-V261 HydrophobicContact CE2-CB 3.77Å; F257-V261 HydrophobicContact CE2-CG1 3.74Å; F257-V261 HydrophobicContact CE2-CG2 3.99Å; F257-V261 HydrophobicContact CZ-CB 4.47Å; F257-V261 HydrophobicContact CZ-CG1 4.36Å; F257-V261 WeakPolarHBondContact O-CA 3.44Å; F257-V261 VanDerWaalsContact O-CB 3.24Å; F257-V261 WeakPolarHBondContact O-CB 3.29Å; F257-V261 PolarHBondContact O-N 3.48Å; V261-I263 PolarHBondContact O-N 3.24Å; V261-P264 WeakPolarHBondContact O-CD 3.49Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 3.41Å |
| 262 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -62.7 | -49.1 | -175.7 | -62.4 | -175.3 | 0 | 0 | 0 | 112.4 | L236 I243 F257 L258 L265 H266 L278 C281 I282 F285 | L236-L262 HydrophobicContact CD2-CD2 3.78Å; I243-L262 HydrophobicContact CD1-CD1 4.3Å; F257-L262 HydrophobicContact CD1-CD1 4.16Å; F257-L262 HydrophobicContact CD1-CG 4.05Å; F257-L262 HydrophobicContact CE1-CD1 3.8Å; F257-L262 HydrophobicContact CE1-CD2 3.64Å; F257-L262 HydrophobicContact CE1-CG 3.58Å; F257-L262 HydrophobicContact CZ-CD2 3.77Å; F257-L262 HydrophobicContact CZ-CG 4.09Å; F257-L262 PolarHBondContact O-N 3.44Å; L258-L262 HydrophobicContact CD1-CB 4.22Å; L258-L262 HydrophobicContact CD1-CD1 4.11Å; L258-L262 PolarHBondContact O-N 3.34Å; L262-L265 HydrophobicContact CD2-CD1 4.17Å; L262-L265 WeakPolarHBondContact O-CB 3.2Å; L262-L265 PolarHBondContact O-N 2.99Å; L262-H266 PolarHBondContact O-CE1 2.99Å; L262-H266 PolarHBondContact O-ND1 2.88Å; L262-H266 VanDerWaalsContact O-ND1 3.12Å; L262-L278 HydrophobicContact CB-CD1 4.18Å; L262-L278 HydrophobicContact CD2-CD1 3.99Å; L262-C281 HydrophobicContact CD1-CB 4.11Å; L262-I282 HydrophobicContact CB-CD1 3.84Å; L262-I282 HydrophobicContact CD1-CD1 4.42Å; L262-F285 HydrophobicContact CD1-CD2 3.71Å; L262-F285 HydrophobicContact CD1-CE2 3.53Å |
| 263 | I | 98.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 178.1 | -63.4 | 170.9 | 0 | 0 | 0 | 111.1 | L258 V261 L265 H266 I282 V296 F303 | L258-I263 HydrophobicContact CD1-CG1 4.39Å; L258-I263 HydrophobicContact CG-CD1 4.48Å; L258-I263 WeakPolarHBondContact O-CG1 3.48Å; L258-I263 PolarHBondContact O-N 3.13Å; V261-I263 PolarHBondContact O-N 3.24Å; I263-L265 VanDerWaalsContact C-N 3.31Å; I263-L265 PolarHBondContact O-N 2.94Å; I263-H266 PolarHBondContact O-N 3.26Å; I263-H266 PolarHBondContact O-ND1 3.35Å; I263-I282 HydrophobicContact CG1-CD1 4.47Å; I263-V296 HydrophobicContact CD1-CG2 4.18Å; I263-F303 HydrophobicContact CG2-CD2 4.1Å; I263-F303 HydrophobicContact CG2-CE2 3.93Å |
| 264 | P | 98.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -22.4 | 175.5 | -28.6 | 38.5 | 0 | 0 | 0 | 116.8 | I223 V261 H266 K267 F303 | I223-P264 HydrophobicContact CD1-CB 4.33Å; I223-P264 HydrophobicContact CG2-CB 4.16Å; V261-P264 WeakPolarHBondContact O-CD 3.49Å; P264-H266 PolarHBondContact O-N 3.41Å; P264-K267 VanDerWaalsContact O-CB 3.28Å; P264-K267 WeakPolarHBondContact O-CB 3.36Å; P264-K267 WeakPolarHBondContact O-CG 3.27Å; P264-K267 PolarHBondContact O-N 2.86Å; P264-F303 HydrophobicContact CB-CE2 4.46Å; P264-F303 HydrophobicContact CG-CE2 4.36Å |
| 265 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.6 | -30.4 | 176.2 | -81.2 | 170.4 | 0 | 0 | 0 | 112.5 | F219 F222 I223 L236 V261 L262 I263 K267 A268 F274 L278 | F219-L265 HydrophobicContact CD2-CD1 4.06Å; F219-L265 HydrophobicContact CE2-CD1 4.18Å; F219-L265 HydrophobicContact CG-CD1 4.36Å; F222-L265 HydrophobicContact CD1-CD2 3.69Å; F222-L265 HydrophobicContact CE1-CD2 3.85Å; I223-L265 HydrophobicContact CD1-CD2 3.73Å; I223-L265 HydrophobicContact CD1-CG 3.82Å; I223-L265 HydrophobicContact CG1-CD2 3.6Å; I223-L265 HydrophobicContact CG1-CG 4.18Å; L236-L265 HydrophobicContact CD2-CD1 4.08Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 3.41Å; L262-L265 HydrophobicContact CD2-CD1 4.17Å; L262-L265 WeakPolarHBondContact O-CB 3.2Å; L262-L265 PolarHBondContact O-N 2.99Å; I263-L265 VanDerWaalsContact C-N 3.31Å; I263-L265 PolarHBondContact O-N 2.94Å; L265-K267 PolarHBondContact O-N 2.87Å; L265-A268 WeakPolarHBondContact O-CB 3.15Å; L265-A268 PolarHBondContact O-N 3.38Å; L265-F274 HydrophobicContact CB-CE2 4.39Å; L265-L278 HydrophobicContact CB-CD1 4.25Å; L265-L278 HydrophobicContact CB-CD2 3.68Å; L265-L278 HydrophobicContact CD1-CD1 4.02Å |
| 266 | H | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.4 | 175.5 | -59.9 | 86 | 0 | 0 | 0 | 113.9 | L262 I263 P264 A268 L278 K311 F315 E318 | L262-H266 PolarHBondContact O-CE1 2.99Å; L262-H266 PolarHBondContact O-ND1 2.88Å; L262-H266 VanDerWaalsContact O-ND1 3.12Å; I263-H266 PolarHBondContact O-N 3.26Å; I263-H266 PolarHBondContact O-ND1 3.35Å; P264-H266 PolarHBondContact O-N 3.41Å; H266-A268 VanDerWaalsContact C-N 3.33Å; H266-L278 VanDerWaalsContact CE1-CD2 3.43Å; H266-L278 WeakPolarHBondContact CE1-CD2 3.4Å; H266-L278 VanDerWaalsContact NE2-CD2 3.32Å; H266-L278 WeakPolarHBondContact NE2-CD2 3.39Å; H266-K311 WeakPolarHBondContact O-CE 3.45Å; H266-K311 PolarHBondContact O-NZ 3.03Å; H266-F315 HydrophobicContact CB-CE1 4.49Å; H266-F315 HydrophobicContact CB-CE2 4.14Å; H266-F315 HydrophobicContact CB-CZ 3.68Å; H266-E318 IonicContact CD2-OE2 2.73Å; H266-E318 PolarHBondContact CD2-OE2 2.96Å; H266-E318 VanDerWaalsContact CD2-OE2 3.23Å; H266-E318 IonicContact CE1-OE1 3.69Å; H266-E318 IonicContact NE2-OE1 2.65Å; H266-E318 PolarHBondContact NE2-OE1 3.47Å; H266-E318 VanDerWaalsContact NE2-OE1 3.16Å; H266-E318 IonicContact NE2-OE2 3.07Å; H266-E318 PolarHBondContact NE2-OE2 3.39Å |
| 267 | K | 96.3 | Very high | 96.5 | Very high | 91 Ų | 91 | 34.6 Ų | 34.6 | 40% | 0.396 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -28.1 | 176 | -65.9 | 175.3 | 65.9 | -128.2 | 0 | 112.9 | P264 L265 F303 K311 | P264-K267 VanDerWaalsContact O-CB 3.28Å; P264-K267 WeakPolarHBondContact O-CB 3.36Å; P264-K267 WeakPolarHBondContact O-CG 3.27Å; P264-K267 PolarHBondContact O-N 2.86Å; L265-K267 PolarHBondContact O-N 2.87Å; K267-F303 HydrophobicContact CD-CD1 3.96Å; K267-F303 HydrophobicContact CD-CD2 4.47Å; K267-F303 HydrophobicContact CD-CE1 3.69Å; K267-F303 HydrophobicContact CD-CE2 4.22Å; K267-F303 HydrophobicContact CD-CG 4.36Å; K267-F303 HydrophobicContact CD-CZ 3.83Å; K267-F303 HydrophobicContact CG-CB 4.34Å; K267-F303 HydrophobicContact CG-CD1 3.8Å; K267-F303 HydrophobicContact CG-CD2 4.04Å; K267-F303 HydrophobicContact CG-CE1 4.06Å; K267-F303 HydrophobicContact CG-CE2 4.26Å; K267-F303 HydrophobicContact CG-CG 3.8Å; K267-F303 HydrophobicContact CG-CZ 4.28Å; K267-K311 PolarHBondContact O-NZ 2.89Å |
| 268 | A | 94.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | trans | -55 | 142.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112 | F222 L265 H266 L271 F274 K311 | F222-A268 HydrophobicContact CE1-CB 3.81Å; F222-A268 HydrophobicContact CZ-CB 3.85Å; L265-A268 WeakPolarHBondContact O-CB 3.15Å; L265-A268 PolarHBondContact O-N 3.38Å; H266-A268 VanDerWaalsContact C-N 3.33Å; A268-L271 WeakPolarHBondContact O-CB 3.27Å; A268-L271 PolarHBondContact O-N 3.19Å; A268-F274 HydrophobicContact CB-CE1 4.4Å; A268-F274 HydrophobicContact CB-CZ 3.81Å; A268-K311 PolarHBondContact O-NZ 3.28Å | ||
| 269 | K | 90.6 | Very high | 96.6 | Very high | 149 Ų | 149 | 33.3 Ų | 33.3 | 65% | 0.648 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -67.5 | -42.2 | 176.5 | -65 | 174.9 | -170.8 | 131.3 | 0 | 111.1 | E227 L271 | E227-K269 IonicContact OE2-NZ 3.38Å; E227-K269 PolarHBondContact OE2-NZ 3.05Å; K269-L271 PolarHBondContact O-N 3.2Å |
| 270 | S | 91.7 | Very high | 96.6 | Very high | 39 Ų | 39 | 37 Ų | 37 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -74.6 | 19 | 176.4 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | V272 T273 F274 | S270-V272 PolarHBondContact O-N 3.47Å; S270-T273 PolarHBondContact O-N 3.32Å; S270-T273 VanDerWaalsContact O-N 3.09Å; S270-T273 PolarHBondContact O-OG1 3.38Å; S270-F274 VanDerWaalsContact O-CE1 3.32Å; S270-F274 WeakPolarHBondContact O-CE1 3.33Å |
| 271 | L | 95.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -52.2 | -32.9 | -179.9 | 179.1 | 61.8 | 0 | 0 | 0 | 112.5 | A268 K269 T273 F274 H275 L278 K311 M314 F315 | A268-L271 WeakPolarHBondContact O-CB 3.27Å; A268-L271 PolarHBondContact O-N 3.19Å; K269-L271 PolarHBondContact O-N 3.2Å; L271-T273 PolarHBondContact O-N 3.49Å; L271-T273 VanDerWaalsContact O-N 3.1Å; L271-F274 HydrophobicContact CD1-CD2 4.11Å; L271-F274 HydrophobicContact CD1-CE2 3.53Å; L271-F274 HydrophobicContact CD1-CZ 4.08Å; L271-F274 PolarHBondContact O-N 2.89Å; L271-H275 HydrophobicContact CD1-CB 4.09Å; L271-H275 HydrophobicContact CG-CB 4.08Å; L271-H275 VanDerWaalsContact O-CB 3.27Å; L271-H275 WeakPolarHBondContact O-CB 3.45Å; L271-H275 PolarHBondContact O-N 2.96Å; L271-L278 HydrophobicContact CD1-CD2 3.89Å; L271-K311 HydrophobicContact CB-CD 4.42Å; L271-K311 HydrophobicContact CD2-CG 4.49Å; L271-M314 HydrophobicContact CB-CE 4.46Å; L271-M314 HydrophobicContact CD2-CE 4.24Å; L271-M314 HydrophobicContact CG-CE 3.84Å; L271-F315 HydrophobicContact CD2-CD2 4.29Å; L271-F315 HydrophobicContact CD2-CE2 3.68Å |
| 272 | V | 93.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -51.5 | -34.3 | -180 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | S270 F274 M314 | S270-V272 PolarHBondContact O-N 3.47Å; V272-F274 PolarHBondContact O-N 3.4Å; V272-M314 VanDerWaalsContact CA-CE 3.5Å; V272-M314 HydrophobicContact CB-CE 4.39Å; V272-M314 HydrophobicContact CB-SD 4.45Å; V272-M314 HydrophobicContact CG2-CE 4.32Å; V272-M314 HydrophobicContact CG2-SD 3.88Å |
| 273 | T | 92.7 | Very high | 96.6 | Very high | 65 Ų | 65 | 31.4 Ų | 31.4 | 40% | 0.399 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -79.4 | -18.4 | -173.6 | 65.6 | 0 | 0 | 0 | 0 | 115 | P131 S270 L271 | P131-T273 HydrophobicContact CB-CG2 3.68Å; P131-T273 HydrophobicContact CG-CG2 3.73Å; S270-T273 PolarHBondContact O-N 3.32Å; S270-T273 VanDerWaalsContact O-N 3.09Å; S270-T273 PolarHBondContact O-OG1 3.38Å; L271-T273 PolarHBondContact O-N 3.49Å; L271-T273 VanDerWaalsContact O-N 3.1Å |
| 274 | F | 96.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | 5.6 | -174.2 | 60.7 | -101.3 | 0 | 0 | 0 | 114.2 | F222 V232 L236 L265 A268 S270 L271 V272 Q277 L278 | F222-F274 HydrophobicContact CE1-CE1 4.12Å; F222-F274 AromaticContact CE1-CZ 3.96Å; F222-F274 HydrophobicContact CE1-CZ 3.96Å; F222-F274 AromaticContact CZ-CE1 3.93Å; F222-F274 HydrophobicContact CZ-CE1 3.93Å; F222-F274 HydrophobicContact CZ-CZ 4.18Å; V232-F274 HydrophobicContact CB-CB 4.39Å; V232-F274 HydrophobicContact CB-CD1 3.83Å; V232-F274 HydrophobicContact CB-CE1 4.28Å; V232-F274 HydrophobicContact CB-CG 4.09Å; V232-F274 HydrophobicContact CG1-CB 4.14Å; V232-F274 HydrophobicContact CG1-CD1 3.7Å; V232-F274 HydrophobicContact CG1-CD2 3.8Å; V232-F274 HydrophobicContact CG1-CE1 3.98Å; V232-F274 HydrophobicContact CG1-CE2 4.08Å; V232-F274 HydrophobicContact CG1-CG 3.6Å; V232-F274 HydrophobicContact CG1-CZ 4.15Å; L236-F274 HydrophobicContact CD1-CB 4.18Å; L236-F274 HydrophobicContact CD1-CD2 3.75Å; L236-F274 HydrophobicContact CD1-CG 4.29Å; L265-F274 HydrophobicContact CB-CE2 4.39Å; A268-F274 HydrophobicContact CB-CE1 4.4Å; A268-F274 HydrophobicContact CB-CZ 3.81Å; S270-F274 VanDerWaalsContact O-CE1 3.32Å; S270-F274 WeakPolarHBondContact O-CE1 3.33Å; L271-F274 HydrophobicContact CD1-CD2 4.11Å; L271-F274 HydrophobicContact CD1-CE2 3.53Å; L271-F274 HydrophobicContact CD1-CZ 4.08Å; L271-F274 PolarHBondContact O-N 2.89Å; V272-F274 PolarHBondContact O-N 3.4Å; F274-Q277 VanDerWaalsContact CA-OE1 3.28Å; F274-Q277 PolarHBondContact O-N 3.11Å; F274-Q277 PolarHBondContact O-OE1 2.64Å; F274-Q277 VanDerWaalsContact O-OE1 3.12Å; F274-L278 HydrophobicContact CD2-CB 4.37Å; F274-L278 HydrophobicContact CD2-CD2 4.4Å; F274-L278 HydrophobicContact CE2-CD2 4.08Å; F274-L278 PolarHBondContact O-N 2.64Å |
| 275 | H | 98 | Very high | 96.6 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | -177.2 | 174.9 | -93.9 | 0 | 0 | 0 | 114.3 | L271 Q277 L278 A279 M314 E318 | L271-H275 HydrophobicContact CD1-CB 4.09Å; L271-H275 HydrophobicContact CG-CB 4.08Å; L271-H275 VanDerWaalsContact O-CB 3.27Å; L271-H275 WeakPolarHBondContact O-CB 3.45Å; L271-H275 PolarHBondContact O-N 2.96Å; H275-Q277 PolarHBondContact O-N 3.44Å; H275-L278 PolarHBondContact O-N 3.38Å; H275-A279 WeakPolarHBondContact O-CB 3.41Å; H275-A279 PolarHBondContact O-N 3.06Å; H275-M314 HydrophobicContact CB-CE 3.08Å; H275-M314 PolarHBondContact CE1-O 3.13Å; H275-M314 VanDerWaalsContact CE1-O 3.27Å; H275-M314 PolarHBondContact NE2-O 3.43Å; H275-E318 IonicContact NE2-OE2 3.86Å |
| 276 | P | 97.9 | Very high | 96.5 | Very high | 84 Ų | 84 | 32.2 Ų | 32.2 | 55% | 0.545 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.8 | -40.9 | 178.5 | -25.7 | 35.3 | 0 | 0 | 0 | 112.7 | Y280 | P276-Y280 WeakPolarHBondContact O-CB 3.47Å; P276-Y280 PolarHBondContact O-N 3.25Å |
| 277 | Q | 98.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 36.6 Ų | 36.6 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69 | -37 | 178.2 | -60.1 | 79.7 | -6 | 0 | 0 | 111.7 | L236 E237 F274 H275 C281 | L236-Q277 HydrophobicContact CB-CB 3.7Å; L236-Q277 HydrophobicContact CD1-CB 4.39Å; E237-Q277 HydrophobicContact CG-CB 4.4Å; E237-Q277 HydrophobicContact CG-CG 3.58Å; F274-Q277 VanDerWaalsContact CA-OE1 3.28Å; F274-Q277 PolarHBondContact O-N 3.11Å; F274-Q277 PolarHBondContact O-OE1 2.64Å; F274-Q277 VanDerWaalsContact O-OE1 3.12Å; H275-Q277 PolarHBondContact O-N 3.44Å; Q277-C281 PolarHBondContact O-N 2.83Å; Q277-C281 VanDerWaalsContact O-N 3.11Å; Q277-C281 PolarHBondContact O-SG 2.86Å |
| 278 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.5 | -49.2 | 177 | -177 | 55.7 | 0 | 0 | 0 | 111.5 | L236 L262 L265 H266 L271 F274 H275 Y280 C281 I282 | L236-L278 HydrophobicContact CD1-CB 3.87Å; L236-L278 HydrophobicContact CD1-CD1 4.3Å; L236-L278 HydrophobicContact CD2-CD1 4.07Å; L262-L278 HydrophobicContact CB-CD1 4.18Å; L262-L278 HydrophobicContact CD2-CD1 3.99Å; L265-L278 HydrophobicContact CB-CD1 4.25Å; L265-L278 HydrophobicContact CB-CD2 3.68Å; L265-L278 HydrophobicContact CD1-CD1 4.02Å; H266-L278 VanDerWaalsContact CE1-CD2 3.43Å; H266-L278 WeakPolarHBondContact CE1-CD2 3.4Å; H266-L278 VanDerWaalsContact NE2-CD2 3.32Å; H266-L278 WeakPolarHBondContact NE2-CD2 3.39Å; L271-L278 HydrophobicContact CD1-CD2 3.89Å; F274-L278 HydrophobicContact CD2-CB 4.37Å; F274-L278 HydrophobicContact CD2-CD2 4.4Å; F274-L278 HydrophobicContact CE2-CD2 4.08Å; F274-L278 PolarHBondContact O-N 2.64Å; H275-L278 PolarHBondContact O-N 3.38Å; L278-Y280 VanDerWaalsContact C-N 3.31Å; L278-Y280 PolarHBondContact O-N 3.2Å; L278-C281 WeakPolarHBondContact O-CA 3.37Å; L278-C281 WeakPolarHBondContact O-CB 3.28Å; L278-C281 PolarHBondContact O-N 3.32Å; L278-I282 WeakPolarHBondContact O-CG1 3.24Å; L278-I282 PolarHBondContact O-N 3.12Å |
| 279 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.7 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | H275 C281 I282 V283 E318 | H275-A279 WeakPolarHBondContact O-CB 3.41Å; H275-A279 PolarHBondContact O-N 3.06Å; A279-C281 VanDerWaalsContact C-N 3.33Å; A279-C281 PolarHBondContact O-N 2.98Å; A279-I282 WeakPolarHBondContact O-CB 3.3Å; A279-I282 PolarHBondContact O-N 3.27Å; A279-V283 WeakPolarHBondContact O-CG2 3.43Å; A279-V283 PolarHBondContact O-N 3.47Å; A279-E318 HydrophobicContact CB-CB 4.32Å; A279-E318 HydrophobicContact CB-CG 3.89Å |
| 280 | Y | 98.3 | Very high | 96.8 | Very high | 101 Ų | 101 | 30.4 Ų | 30.4 | 40% | 0.396 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -55.3 | -46.1 | 172.8 | 177.4 | -101.9 | 0 | 0 | 0 | 112.2 | P276 L278 I282 V283 Q284 | P276-Y280 WeakPolarHBondContact O-CB 3.47Å; P276-Y280 PolarHBondContact O-N 3.25Å; L278-Y280 VanDerWaalsContact C-N 3.31Å; L278-Y280 PolarHBondContact O-N 3.2Å; Y280-I282 VanDerWaalsContact C-N 3.3Å; Y280-I282 PolarHBondContact O-N 2.97Å; Y280-V283 PolarHBondContact O-N 3.09Å; Y280-Q284 HydrophobicContact CD1-CG 4.11Å; Y280-Q284 HydrophobicContact CD2-CG 4.24Å; Y280-Q284 HydrophobicContact CE1-CG 3.72Å; Y280-Q284 HydrophobicContact CE2-CG 3.87Å; Y280-Q284 VanDerWaalsContact CE2-NE2 3.33Å; Y280-Q284 HydrophobicContact CG-CG 4.36Å; Y280-Q284 WeakPolarHBondContact O-CB 3.32Å; Y280-Q284 WeakPolarHBondContact O-CG 3.39Å; Y280-Q284 PolarHBondContact O-N 3.1Å; Y280-Q284 PolarHBondContact OH-NE2 3.38Å |
| 281 | C | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -38 | 176.4 | -70.3 | 0 | 0 | 0 | 0 | 112.9 | L236 I243 L262 Q277 L278 A279 F285 | L236-C281 PolarHBondContact O-SG 3.4Å; I243-C281 HydrophobicContact CD1-CB 3.89Å; L262-C281 HydrophobicContact CD1-CB 4.11Å; Q277-C281 PolarHBondContact O-N 2.83Å; Q277-C281 VanDerWaalsContact O-N 3.11Å; Q277-C281 PolarHBondContact O-SG 2.86Å; L278-C281 WeakPolarHBondContact O-CA 3.37Å; L278-C281 WeakPolarHBondContact O-CB 3.28Å; L278-C281 PolarHBondContact O-N 3.32Å; A279-C281 VanDerWaalsContact C-N 3.33Å; A279-C281 PolarHBondContact O-N 2.98Å; C281-F285 WeakPolarHBondContact O-CD2 3.44Å; C281-F285 PolarHBondContact O-N 3.31Å |
| 282 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -52.2 | 177.8 | -66 | -61.8 | 0 | 0 | 0 | 110.2 | L258 L262 I263 L278 A279 Y280 Q284 F285 L286 V296 E318 I322 | L258-I282 HydrophobicContact CD1-CD1 3.48Å; L258-I282 VanDerWaalsContact CD1-CD1 3.48Å; L262-I282 HydrophobicContact CB-CD1 3.84Å; L262-I282 HydrophobicContact CD1-CD1 4.42Å; I263-I282 HydrophobicContact CG1-CD1 4.47Å; L278-I282 WeakPolarHBondContact O-CG1 3.24Å; L278-I282 PolarHBondContact O-N 3.12Å; A279-I282 WeakPolarHBondContact O-CB 3.3Å; A279-I282 PolarHBondContact O-N 3.27Å; Y280-I282 VanDerWaalsContact C-N 3.3Å; Y280-I282 PolarHBondContact O-N 2.97Å; I282-Q284 VanDerWaalsContact C-N 3.31Å; I282-Q284 PolarHBondContact O-N 3.19Å; I282-F285 WeakPolarHBondContact O-CB 3.48Å; I282-F285 PolarHBondContact O-N 3.01Å; I282-L286 PolarHBondContact O-N 3.12Å; I282-L286 VanDerWaalsContact O-N 3.13Å; I282-V296 HydrophobicContact CG2-CG1 3.48Å; I282-V296 VanDerWaalsContact CG2-CG1 3.48Å; I282-V296 HydrophobicContact CG2-CG2 4.44Å; I282-E318 WeakPolarHBondContact CG1-OE1 3.32Å; I282-I322 HydrophobicContact CG2-CD1 4.05Å; I282-I322 HydrophobicContact CG2-CG1 4.44Å |
| 283 | V | 97.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 11% | 0.109 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.4 | -44.7 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | A279 Y280 F285 L286 D287 E321 I322 V325 | A279-V283 WeakPolarHBondContact O-CG2 3.43Å; A279-V283 PolarHBondContact O-N 3.47Å; Y280-V283 PolarHBondContact O-N 3.09Å; V283-F285 PolarHBondContact O-N 2.96Å; V283-L286 PolarHBondContact O-N 2.91Å; V283-D287 PolarHBondContact O-N 2.96Å; V283-E321 HydrophobicContact CG2-CB 4.15Å; V283-I322 HydrophobicContact CG2-CG1 4.48Å; V283-V325 HydrophobicContact CG1-CG2 4.26Å |
| 284 | Q | 97.9 | Very high | 97.6 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.5 | -32.6 | 175.8 | -71.9 | -61.3 | -41.5 | 0 | 0 | 113.4 | I243 Y280 I282 K288 | I243-Q284 HydrophobicContact CB-CB 4.44Å; I243-Q284 HydrophobicContact CG2-CB 3.81Å; Y280-Q284 HydrophobicContact CD1-CG 4.11Å; Y280-Q284 HydrophobicContact CD2-CG 4.24Å; Y280-Q284 HydrophobicContact CE1-CG 3.72Å; Y280-Q284 HydrophobicContact CE2-CG 3.87Å; Y280-Q284 VanDerWaalsContact CE2-NE2 3.33Å; Y280-Q284 HydrophobicContact CG-CG 4.36Å; Y280-Q284 WeakPolarHBondContact O-CB 3.32Å; Y280-Q284 WeakPolarHBondContact O-CG 3.39Å; Y280-Q284 PolarHBondContact O-N 3.1Å; Y280-Q284 PolarHBondContact OH-NE2 3.38Å; I282-Q284 VanDerWaalsContact C-N 3.31Å; I282-Q284 PolarHBondContact O-N 3.19Å; Q284-K288 WeakPolarHBondContact O-CG 3.49Å; Q284-K288 PolarHBondContact O-N 3.31Å |
| 285 | F | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.5 | -39.5 | 173.3 | -101.7 | -73.9 | 0 | 0 | 0 | 112.2 | I243 F246 L250 H254 F257 L258 L262 C281 I282 V283 K288 D289 L292 | I243-F285 HydrophobicContact CD1-CD2 3.77Å; I243-F285 HydrophobicContact CD1-CE2 3.47Å; I243-F285 VanDerWaalsContact CD1-CE2 3.47Å; I243-F285 HydrophobicContact CD1-CZ 4.47Å; I243-F285 HydrophobicContact CG1-CD2 4.14Å; I243-F285 HydrophobicContact CG1-CE2 3.65Å; I243-F285 HydrophobicContact CG1-CZ 4.22Å; I243-F285 HydrophobicContact CG2-CD1 4.47Å; I243-F285 HydrophobicContact CG2-CD2 3.79Å; I243-F285 HydrophobicContact CG2-CE2 4.02Å; I243-F285 HydrophobicContact CG2-CG 4.04Å; I243-F285 HydrophobicContact CG2-CZ 4.48Å; F246-F285 HydrophobicContact CD2-CE1 4.45Å; F246-F285 HydrophobicContact CE2-CE1 4.18Å; F246-F285 AromaticContact CE2-CZ 3.84Å; F246-F285 HydrophobicContact CE2-CZ 3.84Å; L250-F285 HydrophobicContact CD1-CD1 4.14Å; L250-F285 HydrophobicContact CD1-CE1 4.41Å; H254-F285 HydrophobicContact CB-CE1 4Å; H254-F285 HydrophobicContact CB-CZ 4.19Å; H254-F285 WeakPolarHBondContact O-CZ 3.34Å; F257-F285 HydrophobicContact CD1-CE2 4.23Å; F257-F285 HydrophobicContact CD1-CZ 4.29Å; L258-F285 HydrophobicContact CB-CD1 4.35Å; L258-F285 HydrophobicContact CB-CD2 4.34Å; L258-F285 HydrophobicContact CB-CE1 4.23Å; L258-F285 HydrophobicContact CB-CE2 4.23Å; L258-F285 HydrophobicContact CB-CG 4.4Å; L258-F285 HydrophobicContact CB-CZ 4.16Å; L258-F285 HydrophobicContact CD1-CB 4.25Å; L258-F285 HydrophobicContact CD1-CD2 4.01Å; L258-F285 HydrophobicContact CD1-CG 4.14Å; L258-F285 HydrophobicContact CD2-CB 4.14Å; L258-F285 HydrophobicContact CD2-CD1 4.12Å; L258-F285 HydrophobicContact CD2-CG 4.09Å; L258-F285 HydrophobicContact CG-CG 4.45Å; L262-F285 HydrophobicContact CD1-CD2 3.71Å; L262-F285 HydrophobicContact CD1-CE2 3.53Å; C281-F285 WeakPolarHBondContact O-CD2 3.44Å; C281-F285 PolarHBondContact O-N 3.31Å; I282-F285 WeakPolarHBondContact O-CB 3.48Å; I282-F285 PolarHBondContact O-N 3.01Å; V283-F285 PolarHBondContact O-N 2.96Å; F285-K288 PolarHBondContact O-N 3.5Å; F285-D289 PolarHBondContact O-N 3.45Å; F285-D289 VanDerWaalsContact O-N 3.11Å; F285-L292 HydrophobicContact CD1-CD1 4.2Å |
| 286 | L | 97.5 | Very high | 97.7 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.9 | -37.5 | 178.8 | -59.4 | -174.1 | 0 | 0 | 0 | 111.6 | I282 V283 K288 D289 A290 L292 V296 I322 | I282-L286 PolarHBondContact O-N 3.12Å; I282-L286 VanDerWaalsContact O-N 3.13Å; V283-L286 PolarHBondContact O-N 2.91Å; L286-K288 PolarHBondContact O-N 3.43Å; L286-D289 CarbonylContact O-C 3.56Å; L286-D289 PolarHBondContact O-N 3.37Å; L286-A290 PolarHBondContact O-N 3.39Å; L286-A290 VanDerWaalsContact O-N 3.17Å; L286-L292 HydrophobicContact CD2-CB 4.05Å; L286-V296 HydrophobicContact CD2-CB 4.42Å; L286-V296 HydrophobicContact CD2-CG2 3.96Å; L286-I322 HydrophobicContact CD1-CB 4.33Å; L286-I322 HydrophobicContact CD1-CD1 4.49Å; L286-I322 HydrophobicContact CD1-CG1 3.94Å; L286-I322 HydrophobicContact CD1-CG2 3.69Å |
| 287 | D | 96.2 | Very high | 97.8 | Very high | 93 Ų | 93 | 31.9 Ų | 31.9 | 50% | 0.497 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60 | -30.4 | 172.1 | -75 | -14.6 | 0 | 0 | 0 | 112.7 | V283 | V283-D287 PolarHBondContact O-N 2.96Å |
| 288 | K | 96.3 | Very high | 97.7 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 22% | 0.217 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -79.6 | -35.9 | 176.1 | -67.3 | -55.4 | 176.7 | -160.3 | 0 | 112.8 | I243 N244 L248 L250 Q284 F285 L286 | I243-K288 WeakPolarHBondContact O-CE 3.41Å; N244-K288 WeakPolarHBondContact O-CE 3.49Å; N244-K288 PolarHBondContact O-NZ 2.98Å; N244-K288 PolarHBondContact OD1-NZ 3.42Å; L248-K288 HydrophobicContact CD2-CB 4.01Å; L248-K288 HydrophobicContact CD2-CD 4.36Å; L248-K288 WeakPolarHBondContact CD2-O 3.45Å; L250-K288 HydrophobicContact CD1-CB 4.04Å; L250-K288 HydrophobicContact CD2-CB 4.07Å; L250-K288 HydrophobicContact CD2-CG 4.47Å; L250-K288 HydrophobicContact CG-CB 4.27Å; Q284-K288 WeakPolarHBondContact O-CG 3.49Å; Q284-K288 PolarHBondContact O-N 3.31Å; F285-K288 PolarHBondContact O-N 3.5Å; L286-K288 PolarHBondContact O-N 3.43Å |
| 289 | D | 96.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | trans | -156 | 97.7 | -177.2 | -173.7 | -7.8 | 0 | 0 | 0 | 110.8 | L250 F285 L286 T291 L292 | L250-D289 HydrophobicContact CD1-CB 3.64Å; L250-D289 HydrophobicContact CG-CB 4.42Å; F285-D289 PolarHBondContact O-N 3.45Å; F285-D289 VanDerWaalsContact O-N 3.11Å; L286-D289 CarbonylContact O-C 3.56Å; L286-D289 PolarHBondContact O-N 3.37Å; D289-T291 VanDerWaalsContact CG-OG1 3.29Å; D289-T291 PolarHBondContact O-N 3.04Å; D289-T291 VanDerWaalsContact O-N 3.1Å; D289-T291 WeakPolarHBondContact OD1-CB 3.31Å; D289-T291 WeakPolarHBondContact OD1-CG2 3.48Å; D289-T291 PolarHBondContact OD1-N 3.23Å; D289-T291 VanDerWaalsContact OD1-N 3.09Å; D289-T291 PolarHBondContact OD1-OG1 3.31Å; D289-T291 PolarHBondContact OD2-OG1 2.93Å; D289-L292 HydrophobicContact CB-CD1 3.97Å; D289-L292 HydrophobicContact CB-CG 4.15Å; D289-L292 WeakPolarHBondContact O-CB 3.48Å; D289-L292 PolarHBondContact O-N 2.92Å; D289-L292 VanDerWaalsContact O-N 3.15Å | ||
| 290 | A | 96.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -61.3 | -20.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L286 L292 T293 E327 Q330 | L286-A290 PolarHBondContact O-N 3.39Å; L286-A290 VanDerWaalsContact O-N 3.17Å; A290-L292 PolarHBondContact O-N 3.16Å; A290-L292 VanDerWaalsContact O-N 3.15Å; A290-T293 VanDerWaalsContact O-CB 3.26Å; A290-T293 WeakPolarHBondContact O-CB 3.44Å; A290-T293 PolarHBondContact O-N 3.21Å; A290-T293 VanDerWaalsContact O-N 3.1Å; A290-T293 PolarHBondContact O-OG1 2.99Å; A290-E327 HydrophobicContact CB-CG 4.07Å; A290-Q330 HydrophobicContact CB-CG 4.28Å; A290-Q330 WeakPolarHBondContact O-CG 3.5Å |
| 291 | T | 96.6 | Very high | 97.7 | Very high | 90 Ų | 90 | 32.6 Ų | 32.6 | 55% | 0.552 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -66.1 | -16.9 | 178.9 | 72.4 | 0 | 0 | 0 | 0 | 113.1 | D289 T293 | D289-T291 VanDerWaalsContact CG-OG1 3.29Å; D289-T291 PolarHBondContact O-N 3.04Å; D289-T291 VanDerWaalsContact O-N 3.1Å; D289-T291 WeakPolarHBondContact OD1-CB 3.31Å; D289-T291 WeakPolarHBondContact OD1-CG2 3.48Å; D289-T291 PolarHBondContact OD1-N 3.23Å; D289-T291 VanDerWaalsContact OD1-N 3.09Å; D289-T291 PolarHBondContact OD1-OG1 3.31Å; D289-T291 PolarHBondContact OD2-OG1 2.93Å; T291-T293 VanDerWaalsContact C-N 3.25Å; T291-T293 PolarHBondContact O-N 3.38Å |
| 292 | L | 97.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -76.3 | -12.4 | 176.7 | -60.3 | 175.7 | 0 | 0 | 0 | 113.1 | L250 T255 L258 F285 L286 D289 A290 E294 Q295 V296 | L250-L292 HydrophobicContact CD1-CD1 3.76Å; T255-L292 HydrophobicContact CG2-CD1 4.29Å; T255-L292 HydrophobicContact CG2-CD2 4.08Å; L258-L292 HydrophobicContact CD2-CB 4.08Å; L258-L292 HydrophobicContact CD2-CD1 3.8Å; L258-L292 HydrophobicContact CD2-CG 4.38Å; F285-L292 HydrophobicContact CD1-CD1 4.2Å; L286-L292 HydrophobicContact CD2-CB 4.05Å; D289-L292 HydrophobicContact CB-CD1 3.97Å; D289-L292 HydrophobicContact CB-CG 4.15Å; D289-L292 WeakPolarHBondContact O-CB 3.48Å; D289-L292 PolarHBondContact O-N 2.92Å; D289-L292 VanDerWaalsContact O-N 3.15Å; A290-L292 PolarHBondContact O-N 3.16Å; A290-L292 VanDerWaalsContact O-N 3.15Å; L292-E294 PolarHBondContact O-N 3.35Å; L292-Q295 PolarHBondContact O-N 2.86Å; L292-Q295 VanDerWaalsContact O-N 3.13Å; L292-V296 PolarHBondContact O-N 3.12Å |
| 293 | T | 98 | Very high | 97.6 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.1 | -45.6 | -175.3 | -58.3 | 0 | 0 | 0 | 0 | 112.6 | A290 T291 Q295 V296 V297 I322 I326 Q330 I334 | A290-T293 VanDerWaalsContact O-CB 3.26Å; A290-T293 WeakPolarHBondContact O-CB 3.44Å; A290-T293 PolarHBondContact O-N 3.21Å; A290-T293 VanDerWaalsContact O-N 3.1Å; A290-T293 PolarHBondContact O-OG1 2.99Å; T291-T293 VanDerWaalsContact C-N 3.25Å; T291-T293 PolarHBondContact O-N 3.38Å; T293-Q295 VanDerWaalsContact C-N 3.29Å; T293-Q295 PolarHBondContact O-N 3.04Å; T293-V296 PolarHBondContact O-N 3.01Å; T293-V297 HydrophobicContact CG2-CG2 4.2Å; T293-V297 WeakPolarHBondContact O-CG2 3.33Å; T293-V297 PolarHBondContact O-N 3.23Å; T293-I322 HydrophobicContact CG2-CG2 4.42Å; T293-I326 HydrophobicContact CG2-CD1 3.63Å; T293-I326 HydrophobicContact CG2-CG1 4.04Å; T293-Q330 HydrophobicContact CG2-CB 4.32Å; T293-I334 HydrophobicContact CG2-CD1 4.21Å |
| 294 | E | 97.7 | Very high | 97.6 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.4 | -45.6 | 179.3 | 179.9 | 179.6 | -168.7 | 0 | 0 | 111.3 | L292 R298 I333 I334 | L292-E294 PolarHBondContact O-N 3.35Å; E294-R298 HydrophobicContact CG-CG 4.32Å; E294-R298 VanDerWaalsContact O-CB 3.28Å; E294-R298 WeakPolarHBondContact O-CB 3.23Å; E294-R298 VanDerWaalsContact O-CG 3.23Å; E294-R298 WeakPolarHBondContact O-CG 3.28Å; E294-R298 PolarHBondContact O-N 3.38Å; E294-R298 IonicContact OE1-CZ 3.81Å; E294-R298 IonicContact OE1-NE 2.67Å; E294-R298 PolarHBondContact OE1-NE 2.97Å; E294-R298 IonicContact OE1-NH2 3.41Å; E294-R298 PolarHBondContact OE1-NH2 3.14Å; E294-I333 HydrophobicContact CB-CG2 4.11Å; E294-I333 HydrophobicContact CG-CG2 3.81Å; E294-I334 HydrophobicContact CB-CG2 4.2Å; E294-I334 HydrophobicContact CG-CG2 4.28Å |
| 295 | Q | 97.8 | Very high | 97.6 | Very high | 89 Ų | 89 | 42.2 Ų | 42.2 | 42% | 0.416 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.3 | -41.4 | -178 | -174.7 | -178.8 | -29 | 0 | 0 | 111.7 | L292 T293 G299 | L292-Q295 PolarHBondContact O-N 2.86Å; L292-Q295 VanDerWaalsContact O-N 3.13Å; T293-Q295 VanDerWaalsContact C-N 3.29Å; T293-Q295 PolarHBondContact O-N 3.04Å; Q295-G299 PolarHBondContact O-N 3.19Å |
| 296 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -55.8 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | L258 I263 I282 L286 L292 T293 R298 G299 L300 I322 | L258-V296 HydrophobicContact CD1-CG2 4.09Å; L258-V296 HydrophobicContact CD2-CG2 3.94Å; L258-V296 HydrophobicContact CG-CG2 4.28Å; I263-V296 HydrophobicContact CD1-CG2 4.18Å; I282-V296 HydrophobicContact CG2-CG1 3.48Å; I282-V296 VanDerWaalsContact CG2-CG1 3.48Å; I282-V296 HydrophobicContact CG2-CG2 4.44Å; L286-V296 HydrophobicContact CD2-CB 4.42Å; L286-V296 HydrophobicContact CD2-CG2 3.96Å; L292-V296 PolarHBondContact O-N 3.12Å; T293-V296 PolarHBondContact O-N 3.01Å; V296-R298 PolarHBondContact O-N 3.14Å; V296-G299 CarbonylContact O-C 3.55Å; V296-G299 VanDerWaalsContact O-CA 3.3Å; V296-G299 WeakPolarHBondContact O-CA 3.3Å; V296-G299 PolarHBondContact O-N 3.43Å; V296-L300 HydrophobicContact CG1-CD1 4.16Å; V296-L300 HydrophobicContact CG1-CG 4.48Å; V296-L300 PolarHBondContact O-N 2.85Å; V296-I322 HydrophobicContact CG1-CD1 4Å |
| 297 | V | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | -175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | T293 G299 L300 L301 I319 I322 I334 L338 | T293-V297 HydrophobicContact CG2-CG2 4.2Å; T293-V297 WeakPolarHBondContact O-CG2 3.33Å; T293-V297 PolarHBondContact O-N 3.23Å; V297-G299 PolarHBondContact O-N 3.34Å; V297-L300 PolarHBondContact O-N 2.92Å; V297-L301 HydrophobicContact CG1-CD1 3.97Å; V297-L301 HydrophobicContact CG1-CG 4.24Å; V297-L301 WeakPolarHBondContact O-CB 3.28Å; V297-L301 VanDerWaalsContact O-CG 3.24Å; V297-L301 WeakPolarHBondContact O-CG 3.11Å; V297-L301 PolarHBondContact O-N 3.39Å; V297-I319 HydrophobicContact CG1-CD1 4.4Å; V297-I319 HydrophobicContact CG2-CD1 4.38Å; V297-I322 HydrophobicContact CG2-CG2 4.19Å; V297-I334 HydrophobicContact CB-CD1 4.12Å; V297-I334 HydrophobicContact CB-CG2 4.24Å; V297-I334 HydrophobicContact CG1-CB 4.22Å; V297-I334 HydrophobicContact CG1-CD1 4.02Å; V297-I334 HydrophobicContact CG1-CG2 4.43Å; V297-I334 HydrophobicContact CG2-CD1 3.72Å; V297-L338 HydrophobicContact CG1-CD1 4.18Å |
| 298 | R | 98.1 | Very high | 97.2 | Very high | 115 Ų | 115 | 57.6 Ų | 57.6 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.6 | -34.6 | 172.7 | -71.3 | -174.9 | -173.5 | -65.7 | -3 | 112.3 | E294 V296 K302 | E294-R298 HydrophobicContact CG-CG 4.32Å; E294-R298 VanDerWaalsContact O-CB 3.28Å; E294-R298 WeakPolarHBondContact O-CB 3.23Å; E294-R298 VanDerWaalsContact O-CG 3.23Å; E294-R298 WeakPolarHBondContact O-CG 3.28Å; E294-R298 PolarHBondContact O-N 3.38Å; E294-R298 IonicContact OE1-CZ 3.81Å; E294-R298 IonicContact OE1-NE 2.67Å; E294-R298 PolarHBondContact OE1-NE 2.97Å; E294-R298 IonicContact OE1-NH2 3.41Å; E294-R298 PolarHBondContact OE1-NH2 3.14Å; V296-R298 PolarHBondContact O-N 3.14Å; R298-K302 VanDerWaalsContact O-CB 3.31Å; R298-K302 WeakPolarHBondContact O-CB 3.43Å; R298-K302 PolarHBondContact O-N 3.04Å |
| 299 | G | 98.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 57 Ų | 57 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -50 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q295 V296 V297 K302 F303 | Q295-G299 PolarHBondContact O-N 3.19Å; V296-G299 CarbonylContact O-C 3.55Å; V296-G299 VanDerWaalsContact O-CA 3.3Å; V296-G299 WeakPolarHBondContact O-CA 3.3Å; V296-G299 PolarHBondContact O-N 3.43Å; V297-G299 PolarHBondContact O-N 3.34Å; G299-K302 WeakPolarHBondContact O-CB 3.39Å; G299-K302 PolarHBondContact O-N 2.97Å; G299-F303 WeakPolarHBondContact O-CD2 3.29Å; G299-F303 PolarHBondContact O-N 3.32Å; G299-F303 VanDerWaalsContact O-N 3.15Å |
| 300 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.2 | -66.7 | 176.5 | 0 | 0 | 0 | 111.2 | V296 V297 K302 F303 W304 F315 E318 I319 I322 | V296-L300 HydrophobicContact CG1-CD1 4.16Å; V296-L300 HydrophobicContact CG1-CG 4.48Å; V296-L300 PolarHBondContact O-N 2.85Å; V297-L300 PolarHBondContact O-N 2.92Å; L300-K302 VanDerWaalsContact C-N 3.26Å; L300-K302 PolarHBondContact O-N 3.26Å; L300-F303 CarbonylContact O-C 3.54Å; L300-F303 PolarHBondContact O-N 2.87Å; L300-W304 PolarHBondContact O-N 2.96Å; L300-F315 HydrophobicContact CB-CD1 4.47Å; L300-F315 HydrophobicContact CB-CE1 4.5Å; L300-F315 HydrophobicContact CD2-CE1 4.25Å; L300-E318 HydrophobicContact CD1-CG 4.4Å; L300-I319 HydrophobicContact CB-CD1 4.48Å; L300-I319 HydrophobicContact CD1-CD1 3.73Å; L300-I319 HydrophobicContact CD1-CG1 4.44Å; L300-I322 HydrophobicContact CD1-CD1 3.7Å |
| 301 | L | 98.4 | Very high | 97 | Very high | 35 Ų | 35 | 58.2 Ų | 58.2 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -34.8 | 176.5 | -70.4 | 175.5 | 0 | 0 | 0 | 112.7 | V297 F303 W304 P337 L338 Q341 | V297-L301 HydrophobicContact CG1-CD1 3.97Å; V297-L301 HydrophobicContact CG1-CG 4.24Å; V297-L301 WeakPolarHBondContact O-CB 3.28Å; V297-L301 VanDerWaalsContact O-CG 3.24Å; V297-L301 WeakPolarHBondContact O-CG 3.11Å; V297-L301 PolarHBondContact O-N 3.39Å; L301-F303 VanDerWaalsContact C-N 3.33Å; L301-W304 HydrophobicContact CD2-CE3 4.16Å; L301-W304 HydrophobicContact CD2-CZ3 4.46Å; L301-W304 WeakPolarHBondContact O-CB 3.45Å; L301-W304 PolarHBondContact O-N 2.99Å; L301-P337 HydrophobicContact CD1-CB 4.03Å; L301-L338 HydrophobicContact CD2-CD1 4.19Å; L301-Q341 HydrophobicContact CD2-CB 3.61Å; L301-Q341 HydrophobicContact CD2-CG 3.81Å |
| 302 | K | 97.9 | Very high | 97.1 | Very high | 163 Ų | 163 | 55 Ų | 55 | 71% | 0.709 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.2 | -36.2 | 174.8 | 178 | -177 | 176.9 | -179.2 | 0 | 112 | R298 G299 L300 | R298-K302 VanDerWaalsContact O-CB 3.31Å; R298-K302 WeakPolarHBondContact O-CB 3.43Å; R298-K302 PolarHBondContact O-N 3.04Å; G299-K302 WeakPolarHBondContact O-CB 3.39Å; G299-K302 PolarHBondContact O-N 2.97Å; L300-K302 VanDerWaalsContact C-N 3.26Å; L300-K302 PolarHBondContact O-N 3.26Å |
| 303 | F | 97.3 | Very high | 97.1 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 11.6 | -179.1 | -59.7 | -38.8 | 0 | 0 | 0 | 113.8 | I263 P264 K267 G299 L300 L301 F315 | I263-F303 HydrophobicContact CG2-CD2 4.1Å; I263-F303 HydrophobicContact CG2-CE2 3.93Å; P264-F303 HydrophobicContact CB-CE2 4.46Å; P264-F303 HydrophobicContact CG-CE2 4.36Å; K267-F303 HydrophobicContact CD-CD1 3.96Å; K267-F303 HydrophobicContact CD-CD2 4.47Å; K267-F303 HydrophobicContact CD-CE1 3.69Å; K267-F303 HydrophobicContact CD-CE2 4.22Å; K267-F303 HydrophobicContact CD-CG 4.36Å; K267-F303 HydrophobicContact CD-CZ 3.83Å; K267-F303 HydrophobicContact CG-CB 4.34Å; K267-F303 HydrophobicContact CG-CD1 3.8Å; K267-F303 HydrophobicContact CG-CD2 4.04Å; K267-F303 HydrophobicContact CG-CE1 4.06Å; K267-F303 HydrophobicContact CG-CE2 4.26Å; K267-F303 HydrophobicContact CG-CG 3.8Å; K267-F303 HydrophobicContact CG-CZ 4.28Å; G299-F303 WeakPolarHBondContact O-CD2 3.29Å; G299-F303 PolarHBondContact O-N 3.32Å; G299-F303 VanDerWaalsContact O-N 3.15Å; L300-F303 CarbonylContact O-C 3.54Å; L300-F303 PolarHBondContact O-N 2.87Å; L301-F303 VanDerWaalsContact C-N 3.33Å; F303-F315 HydrophobicContact CB-CE1 4.44Å; F303-F315 HydrophobicContact CB-CZ 4.49Å |
| 304 | W | 98.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | trans | -52.4 | 125 | -177.2 | -161.2 | -88.3 | 0 | 0 | 0 | 111.6 | L300 L301 K306 E312 F315 L316 I319 Q341 | L300-W304 PolarHBondContact O-N 2.96Å; L301-W304 HydrophobicContact CD2-CE3 4.16Å; L301-W304 HydrophobicContact CD2-CZ3 4.46Å; L301-W304 WeakPolarHBondContact O-CB 3.45Å; L301-W304 PolarHBondContact O-N 2.99Å; W304-K306 PolarHBondContact O-N 3.31Å; W304-E312 HydrophobicContact CZ2-CG 4.07Å; W304-E312 PolarHBondContact NE1-OE1 3.5Å; W304-F315 HydrophobicContact CD2-CD1 4.34Å; W304-F315 HydrophobicContact CE3-CB 4.24Å; W304-F315 AromaticContact CE3-CD1 3.75Å; W304-F315 HydrophobicContact CE3-CD1 3.75Å; W304-F315 HydrophobicContact CE3-CG 4.46Å; W304-F315 HydrophobicContact CH2-CB 3.98Å; W304-F315 HydrophobicContact CZ2-CB 4.43Å; W304-F315 HydrophobicContact CZ3-CB 3.87Å; W304-F315 HydrophobicContact CZ3-CD1 4.08Å; W304-L316 HydrophobicContact CH2-CD2 3.82Å; W304-L316 HydrophobicContact CH2-CG 4.06Å; W304-L316 HydrophobicContact CZ2-CD2 3.84Å; W304-L316 HydrophobicContact CZ2-CG 3.95Å; W304-I319 HydrophobicContact CZ3-CG1 4.11Å; W304-Q341 VanDerWaalsContact CD1-NE2 3.3Å; W304-Q341 HydrophobicContact CD2-CG 3.64Å; W304-Q341 HydrophobicContact CE3-CG 4.05Å; W304-Q341 HydrophobicContact CG-CG 4.02Å; W304-Q341 HydrophobicContact CH2-CG 4.4Å; W304-Q341 HydrophobicContact CZ2-CG 4.03Å; W304-Q341 HydrophobicContact CZ3-CG 4.41Å | ||
| 305 | P | 97 | Very high | 97.2 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | trans | -61.6 | 134.3 | -178.6 | -23.4 | 34.5 | 0 | 0 | 0 | 111.4 | K311 E312 F315 | P305-K311 HydrophobicContact CB-CB 3.93Å; P305-K311 HydrophobicContact CG-CB 3.58Å; P305-E312 HydrophobicContact CB-CB 4.31Å; P305-F315 HydrophobicContact CG-CD1 4.48Å; P305-F315 HydrophobicContact CG-CD2 3.79Å; P305-F315 HydrophobicContact CG-CE1 4.44Å; P305-F315 HydrophobicContact CG-CE2 3.72Å; P305-F315 HydrophobicContact CG-CG 4.16Å; P305-F315 HydrophobicContact CG-CZ 4.04Å | ||
| 306 | K | 95 | Very high | 97.2 | Very high | 196 Ų | 196 | 49.9 Ų | 49.9 | 85% | 0.852 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -114 | -15.8 | 178.9 | -63.3 | -179 | -176.5 | 174.8 | 0 | 113.8 | W304 | W304-K306 PolarHBondContact O-N 3.31Š|
| 307 | T | 93.8 | Very high | 97.2 | Very high | 143 Ų | 143 | 50.2 Ų | 50.2 | 88% | 0.877 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -129.5 | -3.3 | -171.6 | 56.9 | 0 | 0 | 0 | 0 | 113 | ||
| 308 | Y | 93.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | trans | -133.3 | 100.4 | -177.2 | -169.6 | -178 | 0 | 0 | 0 | 110.1 | Q310 K311 E312 | Y308-Q310 HydrophobicContact CD2-CB 4.01Å; Y308-Q310 HydrophobicContact CE2-CB 3.44Å; Y308-Q310 VanDerWaalsContact CE2-CB 3.44Å; Y308-Q310 HydrophobicContact CE2-CG 4.47Å; Y308-Q310 PolarHBondContact O-N 2.85Å; Y308-Q310 PolarHBondContact OH-OE1 3.26Å; Y308-K311 HydrophobicContact CD1-CB 4.18Å; Y308-K311 HydrophobicContact CD1-CD 3.43Å; Y308-K311 VanDerWaalsContact CD1-CD 3.43Å; Y308-K311 HydrophobicContact CD1-CG 3.46Å; Y308-K311 VanDerWaalsContact CD1-CG 3.46Å; Y308-K311 HydrophobicContact CE1-CD 3.94Å; Y308-K311 HydrophobicContact CE1-CG 3.74Å; Y308-K311 HydrophobicContact CG-CB 4.24Å; Y308-K311 HydrophobicContact CG-CD 4.24Å; Y308-K311 HydrophobicContact CG-CG 4.01Å; Y308-K311 PolarHBondContact O-N 3.47Å; Y308-E312 PolarHBondContact O-N 2.74Å; Y308-E312 VanDerWaalsContact O-N 3.14Å | ||
| 309 | S | 95.9 | Very high | 97.2 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 26% | 0.259 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63 | -38.9 | -173.3 | -48.9 | 0 | 0 | 0 | 0 | 113.6 | K311 E312 V313 H350 | S309-K311 VanDerWaalsContact C-N 3.35Å; S309-K311 PolarHBondContact O-N 3.04Å; S309-E312 WeakPolarHBondContact O-CA 3.32Å; S309-E312 WeakPolarHBondContact O-CB 3.28Å; S309-E312 PolarHBondContact O-N 3.01Å; S309-V313 WeakPolarHBondContact O-CG2 3.35Å; S309-V313 PolarHBondContact O-N 2.78Å; S309-H350 PolarHBondContact OG-CD2 3.01Å |
| 310 | Q | 94.8 | Very high | 97.2 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.7 | -44 | 178.4 | -169.5 | -179.8 | 0.4 | 0 | 0 | 110.8 | E132 Y308 E312 V313 M314 | E132-Q310 PolarHBondContact OE2-NE2 3.42Å; Y308-Q310 HydrophobicContact CD2-CB 4.01Å; Y308-Q310 HydrophobicContact CE2-CB 3.44Å; Y308-Q310 VanDerWaalsContact CE2-CB 3.44Å; Y308-Q310 HydrophobicContact CE2-CG 4.47Å; Y308-Q310 PolarHBondContact O-N 2.85Å; Y308-Q310 PolarHBondContact OH-OE1 3.26Å; Q310-E312 VanDerWaalsContact C-N 3.3Å; Q310-E312 PolarHBondContact O-N 3.49Å; Q310-V313 WeakPolarHBondContact O-CB 3.44Å; Q310-V313 PolarHBondContact O-N 2.92Å; Q310-M314 HydrophobicContact CG-SD 4.47Å; Q310-M314 VanDerWaalsContact O-CG 3.24Å; Q310-M314 WeakPolarHBondContact O-CG 3.49Å; Q310-M314 PolarHBondContact O-N 3.17Å |
| 311 | K | 96.7 | Very high | 97.1 | Very high | 17 Ų | 17 | 50 Ų | 50 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 171.7 | -74.4 | -172.4 | 64.7 | 167.8 | 0 | 112.4 | H266 K267 A268 L271 P305 Y308 S309 V313 M314 F315 | H266-K311 WeakPolarHBondContact O-CE 3.45Å; H266-K311 PolarHBondContact O-NZ 3.03Å; K267-K311 PolarHBondContact O-NZ 2.89Å; A268-K311 PolarHBondContact O-NZ 3.28Å; L271-K311 HydrophobicContact CB-CD 4.42Å; L271-K311 HydrophobicContact CD2-CG 4.49Å; P305-K311 HydrophobicContact CB-CB 3.93Å; P305-K311 HydrophobicContact CG-CB 3.58Å; Y308-K311 HydrophobicContact CD1-CB 4.18Å; Y308-K311 HydrophobicContact CD1-CD 3.43Å; Y308-K311 VanDerWaalsContact CD1-CD 3.43Å; Y308-K311 HydrophobicContact CD1-CG 3.46Å; Y308-K311 VanDerWaalsContact CD1-CG 3.46Å; Y308-K311 HydrophobicContact CE1-CD 3.94Å; Y308-K311 HydrophobicContact CE1-CG 3.74Å; Y308-K311 HydrophobicContact CG-CB 4.24Å; Y308-K311 HydrophobicContact CG-CD 4.24Å; Y308-K311 HydrophobicContact CG-CG 4.01Å; Y308-K311 PolarHBondContact O-N 3.47Å; S309-K311 VanDerWaalsContact C-N 3.35Å; S309-K311 PolarHBondContact O-N 3.04Å; K311-V313 VanDerWaalsContact C-N 3.33Å; K311-M314 HydrophobicContact CG-SD 4.44Å; K311-M314 WeakPolarHBondContact O-CB 3.36Å; K311-M314 PolarHBondContact O-N 2.95Å; K311-F315 WeakPolarHBondContact O-CD2 3.34Å; K311-F315 PolarHBondContact O-N 3.31Å |
| 312 | E | 98.1 | Very high | 97.1 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.8 | -175.8 | 169.6 | -162.6 | 0 | 0 | 111.6 | W304 P305 Y308 S309 Q310 M314 F315 L316 S345 V353 | W304-E312 HydrophobicContact CZ2-CG 4.07Å; W304-E312 PolarHBondContact NE1-OE1 3.5Å; P305-E312 HydrophobicContact CB-CB 4.31Å; Y308-E312 PolarHBondContact O-N 2.74Å; Y308-E312 VanDerWaalsContact O-N 3.14Å; S309-E312 WeakPolarHBondContact O-CA 3.32Å; S309-E312 WeakPolarHBondContact O-CB 3.28Å; S309-E312 PolarHBondContact O-N 3.01Å; Q310-E312 VanDerWaalsContact C-N 3.3Å; Q310-E312 PolarHBondContact O-N 3.49Å; E312-M314 VanDerWaalsContact C-N 3.3Å; E312-M314 PolarHBondContact O-N 2.86Å; E312-F315 PolarHBondContact O-N 2.83Å; E312-L316 HydrophobicContact CG-CD1 4.39Å; E312-L316 WeakPolarHBondContact O-CG 3.36Å; E312-L316 PolarHBondContact O-N 2.97Å; E312-S345 PolarHBondContact OE1-OG 3.38Å; E312-V353 HydrophobicContact CB-CG2 4.24Å; E312-V353 VanDerWaalsContact CD-CG1 3.41Å; E312-V353 HydrophobicContact CG-CG1 3.85Å; E312-V353 HydrophobicContact CG-CG2 4.29Å |
| 313 | V | 98.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 173.1 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | S309 Q310 K311 L316 G317 Q352 V353 R356 | S309-V313 WeakPolarHBondContact O-CG2 3.35Å; S309-V313 PolarHBondContact O-N 2.78Å; Q310-V313 WeakPolarHBondContact O-CB 3.44Å; Q310-V313 PolarHBondContact O-N 2.92Å; K311-V313 VanDerWaalsContact C-N 3.33Å; V313-L316 PolarHBondContact O-N 3.32Å; V313-G317 PolarHBondContact O-N 3.06Å; V313-Q352 HydrophobicContact CG2-CB 4.2Å; V313-V353 HydrophobicContact CG2-CG2 3.98Å; V313-R356 HydrophobicContact CG1-CB 4.24Å; V313-R356 HydrophobicContact CG1-CG 3.96Å |
| 314 | M | 97.9 | Very high | 97 | Very high | 28 Ų | 28 | 43.6 Ų | 43.6 | 14% | 0.138 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 177.4 | -63.8 | 160.2 | 69.1 | 0 | 0 | 112.2 | L271 V272 H275 Q310 K311 E312 L316 G317 E318 | L271-M314 HydrophobicContact CB-CE 4.46Å; L271-M314 HydrophobicContact CD2-CE 4.24Å; L271-M314 HydrophobicContact CG-CE 3.84Å; V272-M314 VanDerWaalsContact CA-CE 3.5Å; V272-M314 HydrophobicContact CB-CE 4.39Å; V272-M314 HydrophobicContact CB-SD 4.45Å; V272-M314 HydrophobicContact CG2-CE 4.32Å; V272-M314 HydrophobicContact CG2-SD 3.88Å; H275-M314 HydrophobicContact CB-CE 3.08Å; H275-M314 PolarHBondContact CE1-O 3.13Å; H275-M314 VanDerWaalsContact CE1-O 3.27Å; H275-M314 PolarHBondContact NE2-O 3.43Å; Q310-M314 HydrophobicContact CG-SD 4.47Å; Q310-M314 VanDerWaalsContact O-CG 3.24Å; Q310-M314 WeakPolarHBondContact O-CG 3.49Å; Q310-M314 PolarHBondContact O-N 3.17Å; K311-M314 HydrophobicContact CG-SD 4.44Å; K311-M314 WeakPolarHBondContact O-CB 3.36Å; K311-M314 PolarHBondContact O-N 2.95Å; E312-M314 VanDerWaalsContact C-N 3.3Å; E312-M314 PolarHBondContact O-N 2.86Å; M314-L316 VanDerWaalsContact C-N 3.29Å; M314-L316 PolarHBondContact O-N 2.89Å; M314-G317 WeakPolarHBondContact O-CA 3.24Å; M314-G317 PolarHBondContact O-N 3.04Å; M314-E318 PolarHBondContact O-N 3.15Å |
| 315 | F | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -39.4 | 174.7 | -87.2 | -124.1 | 0 | 0 | 0 | 111.8 | H266 L271 L300 F303 W304 P305 K311 E312 G317 E318 I319 | H266-F315 HydrophobicContact CB-CE1 4.49Å; H266-F315 HydrophobicContact CB-CE2 4.14Å; H266-F315 HydrophobicContact CB-CZ 3.68Å; L271-F315 HydrophobicContact CD2-CD2 4.29Å; L271-F315 HydrophobicContact CD2-CE2 3.68Å; L300-F315 HydrophobicContact CB-CD1 4.47Å; L300-F315 HydrophobicContact CB-CE1 4.5Å; L300-F315 HydrophobicContact CD2-CE1 4.25Å; F303-F315 HydrophobicContact CB-CE1 4.44Å; F303-F315 HydrophobicContact CB-CZ 4.49Å; W304-F315 HydrophobicContact CD2-CD1 4.34Å; W304-F315 HydrophobicContact CE3-CB 4.24Å; W304-F315 AromaticContact CE3-CD1 3.75Å; W304-F315 HydrophobicContact CE3-CD1 3.75Å; W304-F315 HydrophobicContact CE3-CG 4.46Å; W304-F315 HydrophobicContact CH2-CB 3.98Å; W304-F315 HydrophobicContact CZ2-CB 4.43Å; W304-F315 HydrophobicContact CZ3-CB 3.87Å; W304-F315 HydrophobicContact CZ3-CD1 4.08Å; P305-F315 HydrophobicContact CG-CD1 4.48Å; P305-F315 HydrophobicContact CG-CD2 3.79Å; P305-F315 HydrophobicContact CG-CE1 4.44Å; P305-F315 HydrophobicContact CG-CE2 3.72Å; P305-F315 HydrophobicContact CG-CG 4.16Å; P305-F315 HydrophobicContact CG-CZ 4.04Å; K311-F315 WeakPolarHBondContact O-CD2 3.34Å; K311-F315 PolarHBondContact O-N 3.31Å; E312-F315 PolarHBondContact O-N 2.83Å; F315-G317 VanDerWaalsContact C-N 3.27Å; F315-G317 PolarHBondContact O-N 2.85Å; F315-E318 PolarHBondContact O-N 2.99Å; F315-I319 WeakPolarHBondContact O-CB 3.4Å; F315-I319 VanDerWaalsContact O-CG1 3.27Å; F315-I319 WeakPolarHBondContact O-CG1 3.27Å; F315-I319 PolarHBondContact O-N 2.99Å |
| 316 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -36.2 | 172.7 | -71.6 | 165.5 | 0 | 0 | 0 | 111.3 | W304 E312 V313 M314 E320 I342 V353 R356 A357 Y360 | W304-L316 HydrophobicContact CH2-CD2 3.82Å; W304-L316 HydrophobicContact CH2-CG 4.06Å; W304-L316 HydrophobicContact CZ2-CD2 3.84Å; W304-L316 HydrophobicContact CZ2-CG 3.95Å; E312-L316 HydrophobicContact CG-CD1 4.39Å; E312-L316 WeakPolarHBondContact O-CG 3.36Å; E312-L316 PolarHBondContact O-N 2.97Å; V313-L316 PolarHBondContact O-N 3.32Å; M314-L316 VanDerWaalsContact C-N 3.29Å; M314-L316 PolarHBondContact O-N 2.89Å; L316-E320 PolarHBondContact O-N 3.04Å; L316-E320 VanDerWaalsContact O-N 3.15Å; L316-I342 HydrophobicContact CD2-CD1 3.55Å; L316-V353 HydrophobicContact CD1-CG1 4.1Å; L316-R356 HydrophobicContact CB-CG 3.73Å; L316-R356 HydrophobicContact CD1-CB 4.12Å; L316-R356 HydrophobicContact CD1-CG 4.13Å; L316-A357 HydrophobicContact CD1-CB 3.97Å; L316-A357 HydrophobicContact CD2-CB 3.98Å; L316-Y360 WeakPolarHBondContact CA-OH 3.46Å; L316-Y360 WeakPolarHBondContact O-CE1 3.33Å; L316-Y360 PolarHBondContact O-OH 2.98Å |
| 317 | G | 98.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -50.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V313 M314 F315 I319 E320 E321 R356 | V313-G317 PolarHBondContact O-N 3.06Å; M314-G317 WeakPolarHBondContact O-CA 3.24Å; M314-G317 PolarHBondContact O-N 3.04Å; F315-G317 VanDerWaalsContact C-N 3.27Å; F315-G317 PolarHBondContact O-N 2.85Å; G317-I319 VanDerWaalsContact C-N 3.32Å; G317-I319 PolarHBondContact O-N 3.19Å; G317-E320 WeakPolarHBondContact O-CB 3.43Å; G317-E320 PolarHBondContact O-N 3.5Å; G317-E321 PolarHBondContact O-N 2.58Å; G317-E321 VanDerWaalsContact O-N 3.12Å; G317-R356 VanDerWaalsContact CA-NH2 3.29Å |
| 318 | E | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 179.3 | -175.4 | -176.9 | 173.4 | 0 | 0 | 112.4 | H266 H275 A279 I282 L300 M314 F315 E320 E321 I322 | H266-E318 IonicContact CD2-OE2 2.73Å; H266-E318 PolarHBondContact CD2-OE2 2.96Å; H266-E318 VanDerWaalsContact CD2-OE2 3.23Å; H266-E318 IonicContact CE1-OE1 3.69Å; H266-E318 IonicContact NE2-OE1 2.65Å; H266-E318 PolarHBondContact NE2-OE1 3.47Å; H266-E318 VanDerWaalsContact NE2-OE1 3.16Å; H266-E318 IonicContact NE2-OE2 3.07Å; H266-E318 PolarHBondContact NE2-OE2 3.39Å; H275-E318 IonicContact NE2-OE2 3.86Å; A279-E318 HydrophobicContact CB-CB 4.32Å; A279-E318 HydrophobicContact CB-CG 3.89Å; I282-E318 WeakPolarHBondContact CG1-OE1 3.32Å; L300-E318 HydrophobicContact CD1-CG 4.4Å; M314-E318 PolarHBondContact O-N 3.15Å; F315-E318 PolarHBondContact O-N 2.99Å; E318-E320 VanDerWaalsContact C-N 3.29Å; E318-E320 PolarHBondContact O-N 3.25Å; E318-E321 PolarHBondContact O-N 3.1Å; E318-I322 HydrophobicContact CG-CD1 4.11Å; E318-I322 VanDerWaalsContact O-CG1 3.3Å; E318-I322 WeakPolarHBondContact O-CG1 3.48Å; E318-I322 PolarHBondContact O-N 3.25Å |
| 319 | I | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -36.7 | 174.8 | -71.3 | -67.2 | 0 | 0 | 0 | 111.4 | V297 L300 W304 F315 G317 I322 L323 L338 Y360 | V297-I319 HydrophobicContact CG1-CD1 4.4Å; V297-I319 HydrophobicContact CG2-CD1 4.38Å; L300-I319 HydrophobicContact CB-CD1 4.48Å; L300-I319 HydrophobicContact CD1-CD1 3.73Å; L300-I319 HydrophobicContact CD1-CG1 4.44Å; W304-I319 HydrophobicContact CZ3-CG1 4.11Å; F315-I319 WeakPolarHBondContact O-CB 3.4Å; F315-I319 VanDerWaalsContact O-CG1 3.27Å; F315-I319 WeakPolarHBondContact O-CG1 3.27Å; F315-I319 PolarHBondContact O-N 2.99Å; G317-I319 VanDerWaalsContact C-N 3.32Å; G317-I319 PolarHBondContact O-N 3.19Å; I319-I322 HydrophobicContact CD1-CD1 4.42Å; I319-I322 PolarHBondContact O-N 2.72Å; I319-L323 HydrophobicContact CG2-CD1 3.95Å; I319-L323 HydrophobicContact CG2-CG 4.23Å; I319-L323 WeakPolarHBondContact O-CB 3.14Å; I319-L323 VanDerWaalsContact O-CG 3.24Å; I319-L323 WeakPolarHBondContact O-CG 3.49Å; I319-L323 PolarHBondContact O-N 3.22Å; I319-L338 HydrophobicContact CD1-CD1 4.07Å; I319-L338 HydrophobicContact CG1-CD1 4.41Å; I319-L338 HydrophobicContact CG2-CD1 3.86Å; I319-L338 HydrophobicContact CG2-CD2 4.17Å; I319-Y360 VanDerWaalsContact CB-OH 3.27Å; I319-Y360 WeakPolarHBondContact CB-OH 3.34Å; I319-Y360 HydrophobicContact CG2-CE2 4.03Å; I319-Y360 WeakPolarHBondContact CG2-OH 3.48Å |
| 320 | E | 98 | Very high | 97.2 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.5 | -169.3 | 176.8 | -177.5 | 0 | 0 | 110.9 | L316 G317 E318 I322 L323 E324 R356 Y360 N363 I366 | L316-E320 PolarHBondContact O-N 3.04Å; L316-E320 VanDerWaalsContact O-N 3.15Å; G317-E320 WeakPolarHBondContact O-CB 3.43Å; G317-E320 PolarHBondContact O-N 3.5Å; E318-E320 VanDerWaalsContact C-N 3.29Å; E318-E320 PolarHBondContact O-N 3.25Å; E320-I322 VanDerWaalsContact C-N 3.3Å; E320-I322 PolarHBondContact O-N 3.48Å; E320-L323 PolarHBondContact O-N 2.92Å; E320-L323 VanDerWaalsContact O-N 3.12Å; E320-E324 PolarHBondContact O-N 3.19Å; E320-R356 IonicContact OE2-CZ 2.79Å; E320-R356 IonicContact OE2-NH1 3.77Å; E320-R356 PolarHBondContact OE2-NH1 3.03Å; E320-R356 IonicContact OE2-NH2 3.14Å; E320-R356 PolarHBondContact OE2-NH2 3.14Å; E320-Y360 HydrophobicContact CB-CD1 4.28Å; E320-Y360 HydrophobicContact CB-CE1 3.7Å; E320-Y360 HydrophobicContact CG-CD1 4.27Å; E320-Y360 HydrophobicContact CG-CE1 4.2Å; E320-Y360 PolarHBondContact N-OH 3.43Å; E320-N363 PolarHBondContact OE1-ND2 2.67Å; E320-I366 HydrophobicContact CG-CD1 3.73Å |
| 321 | E | 97.4 | Very high | 97.3 | Very high | 87 Ų | 87 | 35 Ų | 35 | 41% | 0.407 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 177.1 | -66.9 | 178.5 | -154 | 0 | 0 | 111.8 | V283 G317 E318 E324 | V283-E321 HydrophobicContact CG2-CB 4.15Å; G317-E321 PolarHBondContact O-N 2.58Å; G317-E321 VanDerWaalsContact O-N 3.12Å; E318-E321 PolarHBondContact O-N 3.1Å; E321-E324 PolarHBondContact O-N 3.39Å |
| 322 | I | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 175 | -69.4 | 166.4 | 0 | 0 | 0 | 111.2 | I282 V283 L286 T293 V296 V297 L300 E318 I319 E320 E324 V325 I326 | I282-I322 HydrophobicContact CG2-CD1 4.05Å; I282-I322 HydrophobicContact CG2-CG1 4.44Å; V283-I322 HydrophobicContact CG2-CG1 4.48Å; L286-I322 HydrophobicContact CD1-CB 4.33Å; L286-I322 HydrophobicContact CD1-CD1 4.49Å; L286-I322 HydrophobicContact CD1-CG1 3.94Å; L286-I322 HydrophobicContact CD1-CG2 3.69Å; T293-I322 HydrophobicContact CG2-CG2 4.42Å; V296-I322 HydrophobicContact CG1-CD1 4Å; V297-I322 HydrophobicContact CG2-CG2 4.19Å; L300-I322 HydrophobicContact CD1-CD1 3.7Å; E318-I322 HydrophobicContact CG-CD1 4.11Å; E318-I322 VanDerWaalsContact O-CG1 3.3Å; E318-I322 WeakPolarHBondContact O-CG1 3.48Å; E318-I322 PolarHBondContact O-N 3.25Å; I319-I322 HydrophobicContact CD1-CD1 4.42Å; I319-I322 PolarHBondContact O-N 2.72Å; E320-I322 VanDerWaalsContact C-N 3.3Å; E320-I322 PolarHBondContact O-N 3.48Å; I322-E324 VanDerWaalsContact C-N 3.26Å; I322-E324 PolarHBondContact O-N 2.96Å; I322-V325 PolarHBondContact O-N 2.94Å; I322-I326 WeakPolarHBondContact O-CB 3.26Å; I322-I326 PolarHBondContact O-N 3.06Å |
| 323 | L | 97.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.6 | -23.8 | 179.9 | -72.5 | 177.5 | 0 | 0 | 0 | 112.8 | I319 E320 V325 I326 F331 L338 Y360 I366 | I319-L323 HydrophobicContact CG2-CD1 3.95Å; I319-L323 HydrophobicContact CG2-CG 4.23Å; I319-L323 WeakPolarHBondContact O-CB 3.14Å; I319-L323 VanDerWaalsContact O-CG 3.24Å; I319-L323 WeakPolarHBondContact O-CG 3.49Å; I319-L323 PolarHBondContact O-N 3.22Å; E320-L323 PolarHBondContact O-N 2.92Å; E320-L323 VanDerWaalsContact O-N 3.12Å; L323-V325 VanDerWaalsContact C-N 3.3Å; L323-V325 PolarHBondContact O-N 3.35Å; L323-I326 HydrophobicContact CD2-CD1 4.27Å; L323-I326 HydrophobicContact CD2-CG2 4.22Å; L323-I326 VanDerWaalsContact O-CG2 3.25Å; L323-I326 WeakPolarHBondContact O-CG2 3.27Å; L323-F331 HydrophobicContact CD2-CD2 3.75Å; L323-F331 HydrophobicContact CD2-CE2 3.81Å; L323-L338 HydrophobicContact CD1-CD2 4.16Å; L323-L338 HydrophobicContact CD2-CD2 3.91Å; L323-L338 HydrophobicContact CG-CD2 4.34Å; L323-Y360 HydrophobicContact CD1-CD2 4.4Å; L323-Y360 HydrophobicContact CD1-CE2 4.07Å; L323-I366 HydrophobicContact CB-CD1 3.93Å; L323-I366 HydrophobicContact CB-CG1 3.95Å; L323-I366 HydrophobicContact CD1-CD1 4.01Å; L323-I366 HydrophobicContact CD1-CG1 4.36Å |
| 324 | E | 95.5 | Very high | 97.4 | Very high | 110 Ų | 110 | 39.2 Ų | 39.2 | 51% | 0.514 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.5 | -30.2 | 176.5 | -169.4 | 173 | 175 | 0 | 0 | 112.5 | E320 E321 I322 | E320-E324 PolarHBondContact O-N 3.19Å; E321-E324 PolarHBondContact O-N 3.39Å; I322-E324 VanDerWaalsContact C-N 3.26Å; I322-E324 PolarHBondContact O-N 2.96Å |
| 325 | V | 93.9 | Very high | 97.4 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -108.4 | 4.1 | -178.6 | -58.6 | 0 | 0 | 0 | 0 | 114 | V283 I322 L323 | V283-V325 HydrophobicContact CG1-CG2 4.26Å; I322-V325 PolarHBondContact O-N 2.94Å; L323-V325 VanDerWaalsContact C-N 3.3Å; L323-V325 PolarHBondContact O-N 3.35Å |
| 326 | I | 97.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 9% | 0.092 | 21% | 0.214 | C | C | . | . | trans | -72.9 | 137.1 | -174.1 | -162.9 | 167.5 | 0 | 0 | 0 | 112.4 | T293 I322 L323 Q330 F331 I334 L369 | T293-I326 HydrophobicContact CG2-CD1 3.63Å; T293-I326 HydrophobicContact CG2-CG1 4.04Å; I322-I326 WeakPolarHBondContact O-CB 3.26Å; I322-I326 PolarHBondContact O-N 3.06Å; L323-I326 HydrophobicContact CD2-CD1 4.27Å; L323-I326 HydrophobicContact CD2-CG2 4.22Å; L323-I326 VanDerWaalsContact O-CG2 3.25Å; L323-I326 WeakPolarHBondContact O-CG2 3.27Å; I326-Q330 HydrophobicContact CD1-CB 4.31Å; I326-Q330 HydrophobicContact CG1-CB 3.96Å; I326-F331 HydrophobicContact CD1-CB 3.92Å; I326-F331 HydrophobicContact CD1-CD2 4.3Å; I326-F331 HydrophobicContact CG1-CB 4.27Å; I326-F331 HydrophobicContact CG2-CB 4.22Å; I326-F331 HydrophobicContact CG2-CD2 4.31Å; I326-I334 HydrophobicContact CD1-CD1 3.49Å; I326-I334 VanDerWaalsContact CD1-CD1 3.49Å; I326-I334 HydrophobicContact CD1-CG1 4.2Å; I326-L369 HydrophobicContact CG2-CD1 3.58Å | ||
| 327 | E | 95.7 | Very high | 97.3 | Very high | 102 Ų | 102 | 43.3 Ų | 43.3 | 48% | 0.477 | 23% | 0.227 | S | C | . | . | trans | -73.7 | 140.7 | 168.5 | -65.3 | -178.7 | 178.8 | 0 | 0 | 111.1 | A290 L329 Q330 F331 | A290-E327 HydrophobicContact CB-CG 4.07Å; E327-L329 PolarHBondContact O-N 3.44Å; E327-L329 VanDerWaalsContact O-N 3.09Å; E327-Q330 HydrophobicContact CB-CG 4.23Å; E327-Q330 WeakPolarHBondContact O-CB 3.27Å; E327-Q330 PolarHBondContact O-N 2.74Å; E327-F331 PolarHBondContact O-N 3.07Å | ||
| 328 | P | 96 | Very high | 97.4 | Very high | 69 Ų | 69 | 43 Ų | 43 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -53.6 | -36.3 | -178.5 | -29.8 | 35.4 | 0 | 0 | 0 | 114.5 | F331 Q332 | P328-F331 WeakPolarHBondContact O-CB 3.42Å; P328-F331 PolarHBondContact O-N 3.06Å; P328-Q332 WeakPolarHBondContact O-CG 3.33Å; P328-Q332 PolarHBondContact O-N 3.5Å; P328-Q332 VanDerWaalsContact O-N 3.14Å |
| 329 | L | 96.3 | Very high | 97.3 | Very high | 112 Ų | 112 | 43 Ų | 43 | 59% | 0.586 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65 | -40.5 | 177.2 | -177.3 | 63.5 | 0 | 0 | 0 | 112 | E327 I333 | E327-L329 PolarHBondContact O-N 3.44Å; E327-L329 VanDerWaalsContact O-N 3.09Å; L329-I333 WeakPolarHBondContact O-CG1 3.44Å |
| 330 | Q | 97.5 | Very high | 97.3 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.2 | -37.9 | 177 | -60.7 | -57.4 | -39.5 | 0 | 0 | 111 | A290 T293 I326 E327 Q332 I333 | A290-Q330 HydrophobicContact CB-CG 4.28Å; A290-Q330 WeakPolarHBondContact O-CG 3.5Å; T293-Q330 HydrophobicContact CG2-CB 4.32Å; I326-Q330 HydrophobicContact CD1-CB 4.31Å; I326-Q330 HydrophobicContact CG1-CB 3.96Å; E327-Q330 HydrophobicContact CB-CG 4.23Å; E327-Q330 WeakPolarHBondContact O-CB 3.27Å; E327-Q330 PolarHBondContact O-N 2.74Å; Q330-Q332 PolarHBondContact O-N 3.27Å; Q330-I333 WeakPolarHBondContact O-CB 3.17Å; Q330-I333 PolarHBondContact O-N 2.92Å |
| 331 | F | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.3 | -48.1 | 176 | 179.7 | -102.3 | 0 | 0 | 0 | 112 | L323 I326 E327 P328 I333 I334 M335 F339 L369 N373 L377 | L323-F331 HydrophobicContact CD2-CD2 3.75Å; L323-F331 HydrophobicContact CD2-CE2 3.81Å; I326-F331 HydrophobicContact CD1-CB 3.92Å; I326-F331 HydrophobicContact CD1-CD2 4.3Å; I326-F331 HydrophobicContact CG1-CB 4.27Å; I326-F331 HydrophobicContact CG2-CB 4.22Å; I326-F331 HydrophobicContact CG2-CD2 4.31Å; E327-F331 PolarHBondContact O-N 3.07Å; P328-F331 WeakPolarHBondContact O-CB 3.42Å; P328-F331 PolarHBondContact O-N 3.06Å; F331-I333 PolarHBondContact O-N 3.02Å; F331-I333 VanDerWaalsContact O-N 3.14Å; F331-I334 VanDerWaalsContact O-CG1 3.31Å; F331-I334 WeakPolarHBondContact O-CG1 3.3Å; F331-I334 PolarHBondContact O-N 3.23Å; F331-M335 HydrophobicContact CD1-CB 4.17Å; F331-M335 HydrophobicContact CE1-CB 3.85Å; F331-M335 HydrophobicContact CE1-SD 4.22Å; F331-M335 HydrophobicContact CE2-CB 4.41Å; F331-M335 HydrophobicContact CZ-CB 3.99Å; F331-M335 VanDerWaalsContact O-CB 3.3Å; F331-M335 WeakPolarHBondContact O-CB 3.41Å; F331-M335 PolarHBondContact O-N 2.91Å; F331-F339 AromaticContact CE2-CE2 3.64Å; F331-F339 HydrophobicContact CE2-CE2 3.64Å; F331-F339 HydrophobicContact CE2-CZ 4.29Å; F331-F339 HydrophobicContact CZ-CD2 4.47Å; F331-F339 AromaticContact CZ-CE2 3.58Å; F331-F339 HydrophobicContact CZ-CE2 3.58Å; F331-F339 HydrophobicContact CZ-CZ 4.19Å; F331-L369 HydrophobicContact CB-CD2 4.28Å; F331-L369 HydrophobicContact CD1-CB 4.25Å; F331-L369 HydrophobicContact CD1-CD2 4.15Å; F331-L369 HydrophobicContact CD2-CB 4.43Å; F331-L369 HydrophobicContact CD2-CD1 3.97Å; F331-L369 HydrophobicContact CE1-CB 3.91Å; F331-L369 HydrophobicContact CE2-CB 4.08Å; F331-L369 HydrophobicContact CE2-CD1 4.15Å; F331-L369 HydrophobicContact CG-CB 4.49Å; F331-L369 HydrophobicContact CG-CD1 4.33Å; F331-L369 HydrophobicContact CG-CD2 4.08Å; F331-L369 HydrophobicContact CZ-CB 3.81Å; F331-N373 HydrophobicContact CE1-CB 4.28Å; F331-L377 HydrophobicContact CE1-CD1 3.97Å; F331-L377 HydrophobicContact CZ-CD1 3.81Å |
| 332 | Q | 97.8 | Very high | 97.4 | Very high | 98 Ų | 98 | 44.2 Ų | 44.2 | 46% | 0.458 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.3 | -31.6 | 179.7 | -73.4 | 178.4 | -6.1 | 0 | 0 | 113.5 | P328 Q330 | P328-Q332 WeakPolarHBondContact O-CG 3.33Å; P328-Q332 PolarHBondContact O-N 3.5Å; P328-Q332 VanDerWaalsContact O-N 3.14Å; Q330-Q332 PolarHBondContact O-N 3.27Å |
| 333 | I | 97.8 | Very high | 97.3 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 34% | 0.344 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.3 | -36 | 179.2 | -61.4 | 169.5 | 0 | 0 | 0 | 111.4 | E294 L329 Q330 F331 | E294-I333 HydrophobicContact CB-CG2 4.11Å; E294-I333 HydrophobicContact CG-CG2 3.81Å; L329-I333 WeakPolarHBondContact O-CG1 3.44Å; Q330-I333 WeakPolarHBondContact O-CB 3.17Å; Q330-I333 PolarHBondContact O-N 2.92Å; F331-I333 PolarHBondContact O-N 3.02Å; F331-I333 VanDerWaalsContact O-N 3.14Å |
| 334 | I | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -105 | -16 | -171.4 | 63.2 | 162 | 0 | 0 | 0 | 114.3 | T293 E294 V297 I326 F331 V336 P337 L338 | T293-I334 HydrophobicContact CG2-CD1 4.21Å; E294-I334 HydrophobicContact CB-CG2 4.2Å; E294-I334 HydrophobicContact CG-CG2 4.28Å; V297-I334 HydrophobicContact CB-CD1 4.12Å; V297-I334 HydrophobicContact CB-CG2 4.24Å; V297-I334 HydrophobicContact CG1-CB 4.22Å; V297-I334 HydrophobicContact CG1-CD1 4.02Å; V297-I334 HydrophobicContact CG1-CG2 4.43Å; V297-I334 HydrophobicContact CG2-CD1 3.72Å; I326-I334 HydrophobicContact CD1-CD1 3.49Å; I326-I334 VanDerWaalsContact CD1-CD1 3.49Å; I326-I334 HydrophobicContact CD1-CG1 4.2Å; F331-I334 VanDerWaalsContact O-CG1 3.31Å; F331-I334 WeakPolarHBondContact O-CG1 3.3Å; F331-I334 PolarHBondContact O-N 3.23Å; I334-V336 VanDerWaalsContact C-N 3.31Å; I334-V336 PolarHBondContact O-N 2.9Å; I334-P337 WeakPolarHBondContact O-CD 3.25Å; I334-P337 VanDerWaalsContact O-CG 3.23Å; I334-P337 WeakPolarHBondContact O-CG 3.11Å; I334-L338 HydrophobicContact CD1-CD2 4.13Å; I334-L338 VanDerWaalsContact O-CB 3.25Å; I334-L338 WeakPolarHBondContact O-CB 3.24Å; I334-L338 PolarHBondContact O-N 3.23Å |
| 335 | M | 98 | Very high | 97.4 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.4 | -41.1 | -166.6 | 66.8 | 173.8 | 171.9 | 0 | 0 | 112.8 | F331 L338 F339 N373 T376 L377 | F331-M335 HydrophobicContact CD1-CB 4.17Å; F331-M335 HydrophobicContact CE1-CB 3.85Å; F331-M335 HydrophobicContact CE1-SD 4.22Å; F331-M335 HydrophobicContact CE2-CB 4.41Å; F331-M335 HydrophobicContact CZ-CB 3.99Å; F331-M335 VanDerWaalsContact O-CB 3.3Å; F331-M335 WeakPolarHBondContact O-CB 3.41Å; F331-M335 PolarHBondContact O-N 2.91Å; M335-L338 PolarHBondContact O-N 2.82Å; M335-F339 HydrophobicContact CB-CD2 4.45Å; M335-F339 WeakPolarHBondContact O-CB 3.19Å; M335-F339 WeakPolarHBondContact O-CD2 3.31Å; M335-F339 PolarHBondContact O-N 3.02Å; M335-N373 HydrophobicContact SD-CB 3.74Å; M335-T376 HydrophobicContact CE-CG2 3.94Å; M335-L377 HydrophobicContact CB-CD2 4.04Å; M335-L377 HydrophobicContact CG-CD2 4.32Å; M335-L377 HydrophobicContact SD-CD2 4.45Å; M335-L377 HydrophobicContact SD-CG 4.32Å |
| 336 | V | 98.4 | Very high | 97.5 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.5 | -56.2 | -177.5 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | I334 L338 K340 T376 I380 | I334-V336 VanDerWaalsContact C-N 3.31Å; I334-V336 PolarHBondContact O-N 2.9Å; V336-L338 VanDerWaalsContact C-N 3.31Å; V336-L338 PolarHBondContact O-N 3.2Å; V336-K340 HydrophobicContact CG1-CD 4.31Å; V336-K340 WeakPolarHBondContact O-CB 3.41Å; V336-K340 VanDerWaalsContact O-CG 3.27Å; V336-K340 WeakPolarHBondContact O-CG 3.23Å; V336-K340 PolarHBondContact O-N 2.88Å; V336-T376 HydrophobicContact CG2-CG2 3.71Å; V336-I380 HydrophobicContact CB-CD1 4.35Å; V336-I380 HydrophobicContact CG1-CD1 4Å; V336-I380 HydrophobicContact CG2-CD1 4.25Å |
| 337 | P | 98 | Very high | 97.4 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 28% | 0.279 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.3 | -35.4 | 177.6 | 23.8 | -33.3 | 0 | 0 | 0 | 112.6 | L301 I334 Q341 | L301-P337 HydrophobicContact CD1-CB 4.03Å; I334-P337 WeakPolarHBondContact O-CD 3.25Å; I334-P337 VanDerWaalsContact O-CG 3.23Å; I334-P337 WeakPolarHBondContact O-CG 3.11Å; P337-Q341 PolarHBondContact O-N 3.36Å |
| 338 | L | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -56.1 | 179.2 | -178.9 | 59.2 | 0 | 0 | 0 | 111.8 | V297 L301 I319 L323 I334 M335 V336 K340 Q341 I342 | V297-L338 HydrophobicContact CG1-CD1 4.18Å; L301-L338 HydrophobicContact CD2-CD1 4.19Å; I319-L338 HydrophobicContact CD1-CD1 4.07Å; I319-L338 HydrophobicContact CG1-CD1 4.41Å; I319-L338 HydrophobicContact CG2-CD1 3.86Å; I319-L338 HydrophobicContact CG2-CD2 4.17Å; L323-L338 HydrophobicContact CD1-CD2 4.16Å; L323-L338 HydrophobicContact CD2-CD2 3.91Å; L323-L338 HydrophobicContact CG-CD2 4.34Å; I334-L338 HydrophobicContact CD1-CD2 4.13Å; I334-L338 VanDerWaalsContact O-CB 3.25Å; I334-L338 WeakPolarHBondContact O-CB 3.24Å; I334-L338 PolarHBondContact O-N 3.23Å; M335-L338 PolarHBondContact O-N 2.82Å; V336-L338 VanDerWaalsContact C-N 3.31Å; V336-L338 PolarHBondContact O-N 3.2Å; L338-K340 VanDerWaalsContact C-N 3.26Å; L338-K340 PolarHBondContact O-N 3.31Å; L338-Q341 WeakPolarHBondContact O-CA 3.39Å; L338-Q341 WeakPolarHBondContact O-CB 3.42Å; L338-Q341 PolarHBondContact O-N 2.99Å; L338-I342 HydrophobicContact CD1-CG1 4.48Å; L338-I342 HydrophobicContact CG-CG1 4.44Å; L338-I342 PolarHBondContact O-N 3.15Å |
| 339 | F | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.6 | -20.3 | -176.4 | -79.6 | -89.8 | 0 | 0 | 0 | 113.4 | F331 M335 Q341 I342 A343 I370 L377 I380 L381 | F331-F339 AromaticContact CE2-CE2 3.64Å; F331-F339 HydrophobicContact CE2-CE2 3.64Å; F331-F339 HydrophobicContact CE2-CZ 4.29Å; F331-F339 HydrophobicContact CZ-CD2 4.47Å; F331-F339 AromaticContact CZ-CE2 3.58Å; F331-F339 HydrophobicContact CZ-CE2 3.58Å; F331-F339 HydrophobicContact CZ-CZ 4.19Å; M335-F339 HydrophobicContact CB-CD2 4.45Å; M335-F339 WeakPolarHBondContact O-CB 3.19Å; M335-F339 WeakPolarHBondContact O-CD2 3.31Å; M335-F339 PolarHBondContact O-N 3.02Å; F339-Q341 VanDerWaalsContact C-N 3.27Å; F339-Q341 PolarHBondContact O-N 3.04Å; F339-I342 HydrophobicContact CD1-CB 4.41Å; F339-A343 VanDerWaalsContact O-CB 3.24Å; F339-A343 WeakPolarHBondContact O-CB 3.28Å; F339-A343 PolarHBondContact O-N 3.26Å; F339-I370 HydrophobicContact CE1-CD1 3.78Å; F339-I370 HydrophobicContact CE1-CG1 4Å; F339-I370 HydrophobicContact CZ-CD1 4Å; F339-I370 HydrophobicContact CZ-CG1 3.84Å; F339-L377 HydrophobicContact CB-CD2 3.72Å; F339-L377 HydrophobicContact CD2-CD1 4.24Å; F339-L377 HydrophobicContact CD2-CD2 3.59Å; F339-L377 HydrophobicContact CE2-CD1 4.16Å; F339-L377 HydrophobicContact CE2-CD2 4.34Å; F339-L377 HydrophobicContact CG-CD2 3.68Å; F339-L377 HydrophobicContact CZ-CD1 4.48Å; F339-I380 HydrophobicContact CB-CG2 4.48Å; F339-L381 HydrophobicContact CB-CD2 4.22Å; F339-L381 HydrophobicContact CB-CG 4.45Å; F339-L381 HydrophobicContact CD1-CD1 3.65Å; F339-L381 HydrophobicContact CD1-CD2 3.87Å; F339-L381 HydrophobicContact CD1-CG 4.21Å; F339-L381 HydrophobicContact CE1-CD1 4.26Å; F339-L381 HydrophobicContact CG-CD1 4.41Å |
| 340 | K | 98.2 | Very high | 97.2 | Very high | 117 Ų | 117 | 37.4 Ų | 37.4 | 51% | 0.509 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -34.3 | 164.5 | -80.3 | 176.6 | 179.8 | 176.7 | 0 | 112.4 | V336 L338 K344 I380 | V336-K340 HydrophobicContact CG1-CD 4.31Å; V336-K340 WeakPolarHBondContact O-CB 3.41Å; V336-K340 VanDerWaalsContact O-CG 3.27Å; V336-K340 WeakPolarHBondContact O-CG 3.23Å; V336-K340 PolarHBondContact O-N 2.88Å; L338-K340 VanDerWaalsContact C-N 3.26Å; L338-K340 PolarHBondContact O-N 3.31Å; K340-K344 WeakPolarHBondContact O-CG 3.46Å; K340-I380 HydrophobicContact CB-CG2 4.42Å; K340-I380 HydrophobicContact CG-CG2 3.68Å |
| 341 | Q | 98.2 | Very high | 97.1 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.9 | -45.6 | 175.3 | -174.7 | 52.8 | 48 | 0 | 0 | 111 | L301 W304 P337 L338 F339 A343 K344 S345 | L301-Q341 HydrophobicContact CD2-CB 3.61Å; L301-Q341 HydrophobicContact CD2-CG 3.81Å; W304-Q341 VanDerWaalsContact CD1-NE2 3.3Å; W304-Q341 HydrophobicContact CD2-CG 3.64Å; W304-Q341 HydrophobicContact CE3-CG 4.05Å; W304-Q341 HydrophobicContact CG-CG 4.02Å; W304-Q341 HydrophobicContact CH2-CG 4.4Å; W304-Q341 HydrophobicContact CZ2-CG 4.03Å; W304-Q341 HydrophobicContact CZ3-CG 4.41Å; P337-Q341 PolarHBondContact O-N 3.36Å; L338-Q341 WeakPolarHBondContact O-CA 3.39Å; L338-Q341 WeakPolarHBondContact O-CB 3.42Å; L338-Q341 PolarHBondContact O-N 2.99Å; F339-Q341 VanDerWaalsContact C-N 3.27Å; F339-Q341 PolarHBondContact O-N 3.04Å; Q341-A343 VanDerWaalsContact C-N 3.25Å; Q341-A343 PolarHBondContact O-N 3.06Å; Q341-K344 WeakPolarHBondContact O-CA 3.45Å; Q341-K344 WeakPolarHBondContact O-CB 3.38Å; Q341-K344 PolarHBondContact O-N 3.15Å; Q341-S345 PolarHBondContact O-N 3.03Å; Q341-S345 PolarHBondContact O-OG 3.23Å |
| 342 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.2 | -41 | 174.7 | -57.1 | -55.1 | 0 | 0 | 0 | 111.3 | L316 L338 F339 K344 S345 V346 A357 Y360 | L316-I342 HydrophobicContact CD2-CD1 3.55Å; L338-I342 HydrophobicContact CD1-CG1 4.48Å; L338-I342 HydrophobicContact CG-CG1 4.44Å; L338-I342 PolarHBondContact O-N 3.15Å; F339-I342 HydrophobicContact CD1-CB 4.41Å; I342-K344 PolarHBondContact O-N 3.35Å; I342-S345 PolarHBondContact O-N 2.93Å; I342-S345 VanDerWaalsContact O-N 3.1Å; I342-V346 HydrophobicContact CG2-CG2 4.35Å; I342-V346 WeakPolarHBondContact O-CG2 3.38Å; I342-V346 PolarHBondContact O-N 3.05Å; I342-A357 HydrophobicContact CG2-CB 4.48Å; I342-Y360 HydrophobicContact CD1-CE2 3.7Å; I342-Y360 HydrophobicContact CG1-CE2 4.17Å |
| 343 | A | 97.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -32.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F339 Q341 S347 L381 | F339-A343 VanDerWaalsContact O-CB 3.24Å; F339-A343 WeakPolarHBondContact O-CB 3.28Å; F339-A343 PolarHBondContact O-N 3.26Å; Q341-A343 VanDerWaalsContact C-N 3.25Å; Q341-A343 PolarHBondContact O-N 3.06Å; A343-S347 WeakPolarHBondContact O-CB 3.46Å; A343-S347 PolarHBondContact O-N 3.25Å; A343-S347 PolarHBondContact O-OG 3.19Å; A343-L381 HydrophobicContact CB-CD2 4.02Å |
| 344 | K | 96.7 | Very high | 97.1 | Very high | 134 Ų | 134 | 37.4 Ų | 37.4 | 58% | 0.583 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -76.1 | -42.3 | 174.8 | -65.7 | 172.4 | -173.4 | 172.1 | 0 | 111.3 | K340 Q341 I342 S347 S348 | K340-K344 WeakPolarHBondContact O-CG 3.46Å; Q341-K344 WeakPolarHBondContact O-CA 3.45Å; Q341-K344 WeakPolarHBondContact O-CB 3.38Å; Q341-K344 PolarHBondContact O-N 3.15Å; I342-K344 PolarHBondContact O-N 3.35Å; K344-S347 CarbonylContact O-C 3.33Å; K344-S347 WeakPolarHBondContact O-CA 3.22Å; K344-S347 WeakPolarHBondContact O-CB 3.43Å; K344-S347 PolarHBondContact O-N 3.14Å; K344-S348 PolarHBondContact O-N 3.04Å |
| 345 | S | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | E312 Q341 I342 S347 S348 | E312-S345 PolarHBondContact OE1-OG 3.38Å; Q341-S345 PolarHBondContact O-N 3.03Å; Q341-S345 PolarHBondContact O-OG 3.23Å; I342-S345 PolarHBondContact O-N 2.93Å; I342-S345 VanDerWaalsContact O-N 3.1Å; S345-S347 PolarHBondContact O-N 3.46Å; S345-S348 WeakPolarHBondContact O-CB 3.36Å; S345-S348 PolarHBondContact O-N 3.07Å |
| 346 | V | 96.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -31.8 | 169.5 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | I342 S348 A357 L358 F385 V401 | I342-V346 HydrophobicContact CG2-CG2 4.35Å; I342-V346 WeakPolarHBondContact O-CG2 3.38Å; I342-V346 PolarHBondContact O-N 3.05Å; V346-S348 PolarHBondContact O-N 2.95Å; V346-A357 HydrophobicContact CG2-CB 3.54Å; V346-L358 HydrophobicContact CG1-CD1 4.35Å; V346-L358 HydrophobicContact CG1-CD2 3.79Å; V346-L358 HydrophobicContact CG1-CG 4.01Å; V346-L358 HydrophobicContact CG2-CD2 4.14Å; V346-L358 HydrophobicContact CG2-CG 4.07Å; V346-F385 HydrophobicContact CB-CD1 4.41Å; V346-F385 HydrophobicContact CB-CE1 3.74Å; V346-F385 HydrophobicContact CB-CZ 3.93Å; V346-F385 HydrophobicContact CG1-CD1 3.92Å; V346-F385 HydrophobicContact CG1-CD2 4.42Å; V346-F385 HydrophobicContact CG1-CE1 3.65Å; V346-F385 HydrophobicContact CG1-CE2 4.15Å; V346-F385 HydrophobicContact CG1-CG 4.31Å; V346-F385 HydrophobicContact CG1-CZ 3.78Å; V346-F385 HydrophobicContact CG2-CE1 3.89Å; V346-F385 HydrophobicContact CG2-CE2 4.41Å; V346-F385 HydrophobicContact CG2-CZ 3.6Å; V346-V401 HydrophobicContact CG1-CG2 4.26Å |
| 347 | S | 95 | Very high | 97.1 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1 | 174.2 | -61.4 | 0 | 0 | 0 | 0 | 114.5 | A343 K344 S345 S384 R387 | A343-S347 WeakPolarHBondContact O-CB 3.46Å; A343-S347 PolarHBondContact O-N 3.25Å; A343-S347 PolarHBondContact O-OG 3.19Å; K344-S347 CarbonylContact O-C 3.33Å; K344-S347 WeakPolarHBondContact O-CA 3.22Å; K344-S347 WeakPolarHBondContact O-CB 3.43Å; K344-S347 PolarHBondContact O-N 3.14Å; S345-S347 PolarHBondContact O-N 3.46Å; S347-S384 VanDerWaalsContact OG-CB 3.31Å; S347-S384 WeakPolarHBondContact OG-CB 3.49Å; S347-S384 PolarHBondContact OG-OG 3.48Å; S347-R387 PolarHBondContact OG-NH2 2.88Å |
| 348 | S | 95.1 | Very high | 97 | Very high | 26 Ų | 26 | 39 Ų | 39 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | trans | -65 | 140.4 | 179.4 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | K344 S345 V346 H350 H392 | K344-S348 PolarHBondContact O-N 3.04Å; S345-S348 WeakPolarHBondContact O-CB 3.36Å; S345-S348 PolarHBondContact O-N 3.07Å; V346-S348 PolarHBondContact O-N 2.95Å; S348-H350 PolarHBondContact O-N 3.16Å; S348-H350 WeakPolarHBondContact OG-CB 3.2Å; S348-H350 PolarHBondContact OG-N 3.37Å; S348-H392 PolarHBondContact O-NE2 3.42Å | ||
| 349 | S | 93.9 | Very high | 97 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 64% | 0.636 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -72.7 | -13.3 | 170.1 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | F351 W393 | S349-F351 PolarHBondContact O-N 3.42Å; S349-W393 PolarHBondContact O-NE1 3.37Å |
| 350 | H | 96.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 28% | 0.282 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -82.5 | 109.9 | 177.8 | -165.5 | -75.2 | 0 | 0 | 0 | 110.3 | S309 S348 Q352 V353 A354 | S309-H350 PolarHBondContact OG-CD2 3.01Å; S348-H350 PolarHBondContact O-N 3.16Å; S348-H350 WeakPolarHBondContact OG-CB 3.2Å; S348-H350 PolarHBondContact OG-N 3.37Å; H350-Q352 VanDerWaalsContact C-N 3.34Å; H350-Q352 PolarHBondContact CE1-OE1 3.1Å; H350-Q352 PolarHBondContact O-N 2.7Å; H350-V353 HydrophobicContact CB-CB 4.33Å; H350-V353 HydrophobicContact CB-CG2 4.17Å; H350-V353 PolarHBondContact O-N 3.3Å; H350-A354 PolarHBondContact O-N 3.01Å; H350-A354 VanDerWaalsContact O-N 3.13Å |
| 351 | F | 95.8 | Very high | 96.9 | Very high | 82 Ų | 82 | 35.4 Ų | 35.4 | 36% | 0.36 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.4 | -39.8 | -168.9 | 81.1 | -84.3 | 0 | 0 | 0 | 113.4 | S349 V353 A354 E355 W393 I397 | S349-F351 PolarHBondContact O-N 3.42Å; F351-V353 VanDerWaalsContact C-N 3.28Å; F351-V353 PolarHBondContact O-N 3Å; F351-A354 PolarHBondContact O-N 3.23Å; F351-E355 VanDerWaalsContact O-CB 3.22Å; F351-E355 WeakPolarHBondContact O-CB 3.39Å; F351-E355 PolarHBondContact O-N 3.4Å; F351-W393 HydrophobicContact CB-CZ2 4.31Å; F351-I397 HydrophobicContact CB-CD1 4.49Å; F351-I397 HydrophobicContact CB-CG1 4.37Å |
| 352 | Q | 97.2 | Very high | 96.8 | Very high | 99 Ų | 99 | 40 Ų | 40 | 46% | 0.463 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.8 | -32.9 | 179.2 | -61.6 | -179.6 | -76.3 | 0 | 0 | 112.7 | V313 H350 R356 | V313-Q352 HydrophobicContact CG2-CB 4.2Å; H350-Q352 VanDerWaalsContact C-N 3.34Å; H350-Q352 PolarHBondContact CE1-OE1 3.1Å; H350-Q352 PolarHBondContact O-N 2.7Å; Q352-R356 WeakPolarHBondContact O-CB 3.39Å; Q352-R356 PolarHBondContact O-N 3Å |
| 353 | V | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.3 | -47.2 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 109.5 | E312 V313 L316 H350 F351 R356 A357 | E312-V353 HydrophobicContact CB-CG2 4.24Å; E312-V353 VanDerWaalsContact CD-CG1 3.41Å; E312-V353 HydrophobicContact CG-CG1 3.85Å; E312-V353 HydrophobicContact CG-CG2 4.29Å; V313-V353 HydrophobicContact CG2-CG2 3.98Å; L316-V353 HydrophobicContact CD1-CG1 4.1Å; H350-V353 HydrophobicContact CB-CB 4.33Å; H350-V353 HydrophobicContact CB-CG2 4.17Å; H350-V353 PolarHBondContact O-N 3.3Å; F351-V353 VanDerWaalsContact C-N 3.28Å; F351-V353 PolarHBondContact O-N 3Å; V353-R356 PolarHBondContact O-N 3.18Å; V353-A357 WeakPolarHBondContact O-CB 3.45Å; V353-A357 PolarHBondContact O-N 2.92Å |
| 354 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | H350 F351 A357 L358 I397 | H350-A354 PolarHBondContact O-N 3.01Å; H350-A354 VanDerWaalsContact O-N 3.13Å; F351-A354 PolarHBondContact O-N 3.23Å; A354-A357 PolarHBondContact O-N 3.47Å; A354-L358 WeakPolarHBondContact O-CB 3.41Å; A354-L358 WeakPolarHBondContact O-CD1 3.49Å; A354-L358 VanDerWaalsContact O-CG 3.23Å; A354-L358 WeakPolarHBondContact O-CG 3.41Å; A354-L358 PolarHBondContact O-N 3.34Å; A354-I397 HydrophobicContact CB-CD1 4.03Å; A354-I397 HydrophobicContact CB-CG1 4.4Å; A354-I397 HydrophobicContact CB-CG2 4.06Å |
| 355 | E | 97.4 | Very high | 96.5 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 176.5 | -178.2 | 174.4 | -117.8 | 0 | 0 | 111.5 | F351 A357 L358 S359 I397 L400 | F351-E355 VanDerWaalsContact O-CB 3.22Å; F351-E355 WeakPolarHBondContact O-CB 3.39Å; F351-E355 PolarHBondContact O-N 3.4Å; E355-A357 VanDerWaalsContact C-N 3.31Å; E355-A357 PolarHBondContact O-N 2.93Å; E355-L358 PolarHBondContact O-N 3.38Å; E355-L358 VanDerWaalsContact O-N 3.16Å; E355-S359 PolarHBondContact O-N 3.07Å; E355-I397 HydrophobicContact CB-CD1 3.85Å; E355-L400 HydrophobicContact CG-CD1 4.19Å |
| 356 | R | 98.1 | Very high | 96.5 | Very high | 60 Ų | 60 | 44.9 Ų | 44.9 | 23% | 0.226 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 178.5 | -175.1 | 68.1 | -173.8 | 91.4 | -16.8 | 112.9 | V313 L316 G317 E320 Q352 V353 S359 | V313-R356 HydrophobicContact CG1-CB 4.24Å; V313-R356 HydrophobicContact CG1-CG 3.96Å; L316-R356 HydrophobicContact CB-CG 3.73Å; L316-R356 HydrophobicContact CD1-CB 4.12Å; L316-R356 HydrophobicContact CD1-CG 4.13Å; G317-R356 VanDerWaalsContact CA-NH2 3.29Å; E320-R356 IonicContact OE2-CZ 2.79Å; E320-R356 IonicContact OE2-NH1 3.77Å; E320-R356 PolarHBondContact OE2-NH1 3.03Å; E320-R356 IonicContact OE2-NH2 3.14Å; E320-R356 PolarHBondContact OE2-NH2 3.14Å; Q352-R356 WeakPolarHBondContact O-CB 3.39Å; Q352-R356 PolarHBondContact O-N 3Å; V353-R356 PolarHBondContact O-N 3.18Å; R356-S359 PolarHBondContact NH1-OG 3.39Å; R356-S359 PolarHBondContact O-OG 3.45Å |
| 357 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.6 | -34 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L316 I342 V346 V353 A354 E355 S359 | L316-A357 HydrophobicContact CD1-CB 3.97Å; L316-A357 HydrophobicContact CD2-CB 3.98Å; I342-A357 HydrophobicContact CG2-CB 4.48Å; V346-A357 HydrophobicContact CG2-CB 3.54Å; V353-A357 WeakPolarHBondContact O-CB 3.45Å; V353-A357 PolarHBondContact O-N 2.92Å; A354-A357 PolarHBondContact O-N 3.47Å; E355-A357 VanDerWaalsContact C-N 3.31Å; E355-A357 PolarHBondContact O-N 2.93Å; A357-S359 VanDerWaalsContact C-N 3.33Å |
| 358 | L | 97.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.5 | -24.2 | 176.1 | -74.8 | 163.5 | 0 | 0 | 0 | 113 | V346 A354 E355 Y360 W361 F385 I397 L400 V401 V404 | V346-L358 HydrophobicContact CG1-CD1 4.35Å; V346-L358 HydrophobicContact CG1-CD2 3.79Å; V346-L358 HydrophobicContact CG1-CG 4.01Å; V346-L358 HydrophobicContact CG2-CD2 4.14Å; V346-L358 HydrophobicContact CG2-CG 4.07Å; A354-L358 WeakPolarHBondContact O-CB 3.41Å; A354-L358 WeakPolarHBondContact O-CD1 3.49Å; A354-L358 VanDerWaalsContact O-CG 3.23Å; A354-L358 WeakPolarHBondContact O-CG 3.41Å; A354-L358 PolarHBondContact O-N 3.34Å; E355-L358 PolarHBondContact O-N 3.38Å; E355-L358 VanDerWaalsContact O-N 3.16Å; L358-Y360 PolarHBondContact O-N 3.4Å; L358-Y360 VanDerWaalsContact O-N 3.14Å; L358-W361 PolarHBondContact O-N 3.46Å; L358-F385 HydrophobicContact CD2-CD2 4.42Å; L358-F385 HydrophobicContact CD2-CE2 3.9Å; L358-F385 HydrophobicContact CD2-CZ 4.49Å; L358-I397 HydrophobicContact CD1-CG2 3.99Å; L358-L400 HydrophobicContact CB-CB 4.43Å; L358-L400 HydrophobicContact CD1-CB 3.85Å; L358-L400 HydrophobicContact CD1-CD1 4.44Å; L358-V401 HydrophobicContact CD1-CG2 3.61Å; L358-V401 HydrophobicContact CD2-CG2 3.79Å; L358-V401 HydrophobicContact CG-CG2 4.33Å; L358-V404 HydrophobicContact CD2-CG2 3.95Å |
| 359 | S | 96.9 | Very high | 96.7 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 20% | 0.203 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -64.4 | -16.1 | 178.2 | 77.8 | 0 | 0 | 0 | 0 | 113.5 | E355 R356 A357 W361 N362 | E355-S359 PolarHBondContact O-N 3.07Å; R356-S359 PolarHBondContact NH1-OG 3.39Å; R356-S359 PolarHBondContact O-OG 3.45Å; A357-S359 VanDerWaalsContact C-N 3.33Å; S359-W361 PolarHBondContact O-N 2.79Å; S359-W361 VanDerWaalsContact O-N 3.17Å; S359-N362 VanDerWaalsContact O-CB 3.28Å; S359-N362 WeakPolarHBondContact O-CB 3.33Å; S359-N362 PolarHBondContact O-N 2.96Å |
| 360 | Y | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -57 | -29.2 | 174.9 | -78.6 | 20.3 | 0 | 0 | 0 | 112.6 | L316 I319 E320 L323 I342 L358 N362 N363 I366 | L316-Y360 WeakPolarHBondContact CA-OH 3.46Å; L316-Y360 WeakPolarHBondContact O-CE1 3.33Å; L316-Y360 PolarHBondContact O-OH 2.98Å; I319-Y360 VanDerWaalsContact CB-OH 3.27Å; I319-Y360 WeakPolarHBondContact CB-OH 3.34Å; I319-Y360 HydrophobicContact CG2-CE2 4.03Å; I319-Y360 WeakPolarHBondContact CG2-OH 3.48Å; E320-Y360 HydrophobicContact CB-CD1 4.28Å; E320-Y360 HydrophobicContact CB-CE1 3.7Å; E320-Y360 HydrophobicContact CG-CD1 4.27Å; E320-Y360 HydrophobicContact CG-CE1 4.2Å; E320-Y360 PolarHBondContact N-OH 3.43Å; L323-Y360 HydrophobicContact CD1-CD2 4.4Å; L323-Y360 HydrophobicContact CD1-CE2 4.07Å; I342-Y360 HydrophobicContact CD1-CE2 3.7Å; I342-Y360 HydrophobicContact CG1-CE2 4.17Å; L358-Y360 PolarHBondContact O-N 3.4Å; L358-Y360 VanDerWaalsContact O-N 3.14Å; Y360-N362 PolarHBondContact O-N 3.26Å; Y360-N363 PolarHBondContact O-N 3.45Å; Y360-I366 HydrophobicContact CD2-CD1 4.35Å; Y360-I366 HydrophobicContact CG-CD1 4.22Å |
| 361 | W | 97.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -76.7 | -1.7 | 176.6 | -79.2 | -88.9 | 0 | 0 | 0 | 114.1 | L358 S359 I370 L381 F385 V404 I407 F408 | L358-W361 PolarHBondContact O-N 3.46Å; S359-W361 PolarHBondContact O-N 2.79Å; S359-W361 VanDerWaalsContact O-N 3.17Å; W361-I370 HydrophobicContact CZ2-CD1 3.95Å; W361-L381 HydrophobicContact CH2-CD1 4.4Å; W361-L381 HydrophobicContact CH2-CD2 4.37Å; W361-L381 HydrophobicContact CZ2-CD1 4.05Å; W361-F385 HydrophobicContact CE3-CE2 4.34Å; W361-F385 HydrophobicContact CH2-CE1 4.49Å; W361-F385 AromaticContact CH2-CE2 3.52Å; W361-F385 HydrophobicContact CH2-CE2 3.52Å; W361-F385 AromaticContact CH2-CZ 3.29Å; W361-F385 HydrophobicContact CH2-CZ 3.29Å; W361-F385 AromaticContact CZ2-CE2 3.91Å; W361-F385 HydrophobicContact CZ2-CE2 3.91Å; W361-F385 HydrophobicContact CZ2-CZ 4.02Å; W361-F385 AromaticContact CZ3-CE2 3.74Å; W361-F385 HydrophobicContact CZ3-CE2 3.74Å; W361-F385 AromaticContact CZ3-CZ 3.66Å; W361-F385 HydrophobicContact CZ3-CZ 3.66Å; W361-V404 HydrophobicContact CB-CG2 3.76Å; W361-V404 HydrophobicContact CD2-CB 4.28Å; W361-V404 HydrophobicContact CD2-CG1 3.55Å; W361-V404 HydrophobicContact CD2-CG2 3.69Å; W361-V404 HydrophobicContact CE3-CG1 4.23Å; W361-V404 HydrophobicContact CE3-CG2 3.97Å; W361-V404 HydrophobicContact CG-CB 4.24Å; W361-V404 HydrophobicContact CG-CG1 3.75Å; W361-V404 HydrophobicContact CG-CG2 3.57Å; W361-V404 HydrophobicContact CZ2-CG1 3.99Å; W361-I407 HydrophobicContact CB-CD1 4.26Å; W361-F408 AromaticContact CE2-CE1 3.94Å; W361-F408 AromaticContact CZ2-CE1 3.96Å; W361-F408 HydrophobicContact CZ2-CE1 3.96Å; W361-F408 AromaticContact CZ2-CZ 3.65Å; W361-F408 HydrophobicContact CZ2-CZ 3.65Å; W361-F408 AromaticContact NE1-CE1 3.43Å; W361-F408 AromaticContact NE1-CZ 3.97Å |
| 362 | N | 95.6 | Very high | 96.8 | Very high | 128 Ų | 128 | 46.6 Ų | 46.6 | 68% | 0.684 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -91.6 | -5.9 | 169.5 | -56.7 | -26.2 | 0 | 0 | 0 | 112.1 | S359 Y360 | S359-N362 VanDerWaalsContact O-CB 3.28Å; S359-N362 WeakPolarHBondContact O-CB 3.33Å; S359-N362 PolarHBondContact O-N 2.96Å; Y360-N362 PolarHBondContact O-N 3.26Å |
| 363 | N | 96 | Very high | 96.8 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | trans | -100.4 | 111.4 | -179.1 | -173.4 | -44.4 | 0 | 0 | 0 | 109.9 | E320 Y360 N365 I366 V367 | E320-N363 PolarHBondContact OE1-ND2 2.67Å; Y360-N363 PolarHBondContact O-N 3.45Å; N363-N365 VanDerWaalsContact C-N 3.27Å; N363-N365 PolarHBondContact O-N 2.97Å; N363-N365 WeakPolarHBondContact OD1-CB 3.37Å; N363-N365 PolarHBondContact OD1-N 2.97Å; N363-N365 VanDerWaalsContact OD1-N 3.11Å; N363-I366 HydrophobicContact CB-CB 4.22Å; N363-I366 HydrophobicContact CB-CD1 4.05Å; N363-I366 HydrophobicContact CB-CG1 4.11Å; N363-I366 PolarHBondContact O-N 3.14Å; N363-I366 VanDerWaalsContact O-N 3.13Å; N363-I366 PolarHBondContact OD1-N 2.95Å; N363-V367 WeakPolarHBondContact O-CG2 3.42Å; N363-V367 PolarHBondContact O-N 3.18Å | ||
| 364 | D | 95.8 | Very high | 96.7 | Very high | 135 Ų | 135 | 44.6 Ų | 44.6 | 72% | 0.722 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58.5 | -36.3 | -174.8 | -67.5 | -23.5 | 0 | 0 | 0 | 112.8 | V367 S368 | D364-V367 PolarHBondContact O-N 3.06Å; D364-S368 WeakPolarHBondContact O-CB 3.41Å; D364-S368 PolarHBondContact O-N 3.48Å |
| 365 | N | 95.3 | Very high | 96.6 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 178.5 | -68.4 | -20.9 | 0 | 0 | 0 | 111 | N363 S368 L369 | N363-N365 VanDerWaalsContact C-N 3.27Å; N363-N365 PolarHBondContact O-N 2.97Å; N363-N365 WeakPolarHBondContact OD1-CB 3.37Å; N363-N365 PolarHBondContact OD1-N 2.97Å; N363-N365 VanDerWaalsContact OD1-N 3.11Å; N365-S368 PolarHBondContact O-N 2.87Å; N365-L369 WeakPolarHBondContact O-CG 3.38Å; N365-L369 PolarHBondContact O-N 2.79Å |
| 366 | I | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 177.9 | -61.7 | -178.8 | 0 | 0 | 0 | 110.5 | E320 L323 Y360 N363 S368 L369 I370 | E320-I366 HydrophobicContact CG-CD1 3.73Å; L323-I366 HydrophobicContact CB-CD1 3.93Å; L323-I366 HydrophobicContact CB-CG1 3.95Å; L323-I366 HydrophobicContact CD1-CD1 4.01Å; L323-I366 HydrophobicContact CD1-CG1 4.36Å; Y360-I366 HydrophobicContact CD2-CD1 4.35Å; Y360-I366 HydrophobicContact CG-CD1 4.22Å; N363-I366 HydrophobicContact CB-CB 4.22Å; N363-I366 HydrophobicContact CB-CD1 4.05Å; N363-I366 HydrophobicContact CB-CG1 4.11Å; N363-I366 PolarHBondContact O-N 3.14Å; N363-I366 VanDerWaalsContact O-N 3.13Å; N363-I366 PolarHBondContact OD1-N 2.95Å; I366-S368 VanDerWaalsContact C-N 3.33Å; I366-S368 PolarHBondContact O-N 3.37Å; I366-L369 PolarHBondContact O-N 3.47Å; I366-I370 HydrophobicContact CG2-CD1 3.89Å; I366-I370 HydrophobicContact CG2-CG1 4.44Å; I366-I370 VanDerWaalsContact O-CG1 3.28Å; I366-I370 WeakPolarHBondContact O-CG1 3.42Å; I366-I370 PolarHBondContact O-N 3.35Å |
| 367 | V | 96.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | N363 D364 L369 I370 E371 M411 | N363-V367 WeakPolarHBondContact O-CG2 3.42Å; N363-V367 PolarHBondContact O-N 3.18Å; D364-V367 PolarHBondContact O-N 3.06Å; V367-L369 PolarHBondContact O-N 3.04Å; V367-I370 PolarHBondContact O-N 3.19Å; V367-E371 WeakPolarHBondContact O-CB 3.31Å; V367-E371 PolarHBondContact O-N 3.28Å; V367-M411 HydrophobicContact CG1-CE 3.77Å |
| 368 | S | 96.5 | Very high | 96.5 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.3 | -169 | 0 | 0 | 0 | 0 | 112.1 | D364 N365 I366 I370 E371 E372 | D364-S368 WeakPolarHBondContact O-CB 3.41Å; D364-S368 PolarHBondContact O-N 3.48Å; N365-S368 PolarHBondContact O-N 2.87Å; I366-S368 VanDerWaalsContact C-N 3.33Å; I366-S368 PolarHBondContact O-N 3.37Å; S368-I370 VanDerWaalsContact C-N 3.29Å; S368-I370 PolarHBondContact O-N 3.46Å; S368-E371 WeakPolarHBondContact O-CB 3.33Å; S368-E371 PolarHBondContact O-N 3.49Å; S368-E372 WeakPolarHBondContact O-CG 3.27Å; S368-E372 PolarHBondContact O-N 3.36Å |
| 369 | L | 97.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 176.1 | -72 | 169.8 | 0 | 0 | 0 | 112.2 | I326 F331 N365 I366 V367 N373 | I326-L369 HydrophobicContact CG2-CD1 3.58Å; F331-L369 HydrophobicContact CB-CD2 4.28Å; F331-L369 HydrophobicContact CD1-CB 4.25Å; F331-L369 HydrophobicContact CD1-CD2 4.15Å; F331-L369 HydrophobicContact CD2-CB 4.43Å; F331-L369 HydrophobicContact CD2-CD1 3.97Å; F331-L369 HydrophobicContact CE1-CB 3.91Å; F331-L369 HydrophobicContact CE2-CB 4.08Å; F331-L369 HydrophobicContact CE2-CD1 4.15Å; F331-L369 HydrophobicContact CG-CB 4.49Å; F331-L369 HydrophobicContact CG-CD1 4.33Å; F331-L369 HydrophobicContact CG-CD2 4.08Å; F331-L369 HydrophobicContact CZ-CB 3.81Å; N365-L369 WeakPolarHBondContact O-CG 3.38Å; N365-L369 PolarHBondContact O-N 2.79Å; I366-L369 PolarHBondContact O-N 3.47Å; V367-L369 PolarHBondContact O-N 3.04Å; L369-N373 PolarHBondContact O-N 2.99Å; L369-N373 PolarHBondContact O-ND2 3.15Å |
| 370 | I | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 175.2 | -67.4 | 166.6 | 0 | 0 | 0 | 110.7 | F339 W361 I366 V367 S368 N373 H374 L377 F408 M411 | F339-I370 HydrophobicContact CE1-CD1 3.78Å; F339-I370 HydrophobicContact CE1-CG1 4Å; F339-I370 HydrophobicContact CZ-CD1 4Å; F339-I370 HydrophobicContact CZ-CG1 3.84Å; W361-I370 HydrophobicContact CZ2-CD1 3.95Å; I366-I370 HydrophobicContact CG2-CD1 3.89Å; I366-I370 HydrophobicContact CG2-CG1 4.44Å; I366-I370 VanDerWaalsContact O-CG1 3.28Å; I366-I370 WeakPolarHBondContact O-CG1 3.42Å; I366-I370 PolarHBondContact O-N 3.35Å; V367-I370 PolarHBondContact O-N 3.19Å; S368-I370 VanDerWaalsContact C-N 3.29Å; S368-I370 PolarHBondContact O-N 3.46Å; I370-N373 CarbonylContact O-C 3.21Å; I370-N373 PolarHBondContact O-N 2.93Å; I370-H374 VanDerWaalsContact O-CA 3.26Å; I370-H374 WeakPolarHBondContact O-CA 3.47Å; I370-H374 PolarHBondContact O-N 3.33Å; I370-L377 HydrophobicContact CB-CD1 4.43Å; I370-L377 HydrophobicContact CG1-CD1 4.13Å; I370-F408 HydrophobicContact CG2-CE1 4.39Å; I370-M411 HydrophobicContact CG2-CE 4.3Å; I370-M411 HydrophobicContact CG2-SD 4.22Å |
| 371 | E | 96 | Very high | 96.4 | Very high | 106 Ų | 106 | 48.2 Ų | 48.2 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 178.7 | -168.9 | 172.1 | -179.8 | 0 | 0 | 111.4 | V367 S368 N373 H374 M411 | V367-E371 WeakPolarHBondContact O-CB 3.31Å; V367-E371 PolarHBondContact O-N 3.28Å; S368-E371 WeakPolarHBondContact O-CB 3.33Å; S368-E371 PolarHBondContact O-N 3.49Å; E371-N373 PolarHBondContact O-N 3.21Å; E371-H374 PolarHBondContact O-N 3.47Å; E371-H374 PolarHBondContact O-ND1 2.89Å; E371-M411 HydrophobicContact CB-CE 3.99Å; E371-M411 HydrophobicContact CG-CG 4.27Å |
| 372 | E | 96.4 | Very high | 96.3 | Very high | 123 Ų | 123 | 48.1 Ų | 48.1 | 58% | 0.575 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.7 | -23.3 | 178.1 | -71.2 | 177.9 | -171.6 | 0 | 0 | 113.4 | S368 | S368-E372 WeakPolarHBondContact O-CG 3.27Å; S368-E372 PolarHBondContact O-N 3.36Å |
| 373 | N | 97.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 22.6 | -174.6 | -61.3 | -85.7 | 0 | 0 | 0 | 112.9 | F331 M335 L369 I370 E371 D375 T376 L377 | F331-N373 HydrophobicContact CE1-CB 4.28Å; M335-N373 HydrophobicContact SD-CB 3.74Å; L369-N373 PolarHBondContact O-N 2.99Å; L369-N373 PolarHBondContact O-ND2 3.15Å; I370-N373 CarbonylContact O-C 3.21Å; I370-N373 PolarHBondContact O-N 2.93Å; E371-N373 PolarHBondContact O-N 3.21Å; N373-D375 VanDerWaalsContact C-N 3.3Å; N373-D375 PolarHBondContact O-N 3.09Å; N373-T376 PolarHBondContact O-N 3.26Å; N373-L377 HydrophobicContact CB-CD1 4Å; N373-L377 HydrophobicContact CB-CG 4.37Å; N373-L377 PolarHBondContact O-N 3.33Å |
| 374 | H | 95.7 | Very high | 95.9 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -34 | -168 | 65.9 | -102.6 | 0 | 0 | 0 | 113.7 | I370 E371 T376 L377 I378 N412 | I370-H374 VanDerWaalsContact O-CA 3.26Å; I370-H374 WeakPolarHBondContact O-CA 3.47Å; I370-H374 PolarHBondContact O-N 3.33Å; E371-H374 PolarHBondContact O-N 3.47Å; E371-H374 PolarHBondContact O-ND1 2.89Å; H374-T376 PolarHBondContact O-N 3.39Å; H374-L377 PolarHBondContact O-N 3.13Å; H374-I378 HydrophobicContact CB-CD1 3.76Å; H374-I378 HydrophobicContact CB-CG1 4.07Å; H374-I378 WeakPolarHBondContact O-CB 3.35Å; H374-I378 WeakPolarHBondContact O-CG1 3.26Å; H374-I378 PolarHBondContact O-N 2.92Å; H374-N412 PolarHBondContact NE2-ND2 3.4Å |
| 375 | D | 95.6 | Very high | 95.9 | Very high | 110 Ų | 110 | 38.1 Ų | 38.1 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -59.1 | -29 | 177.6 | -76 | -32.1 | 0 | 0 | 0 | 112.8 | N373 P379 | N373-D375 VanDerWaalsContact C-N 3.3Å; N373-D375 PolarHBondContact O-N 3.09Å; D375-P379 WeakPolarHBondContact O-CD 3.4Å; D375-P379 VanDerWaalsContact O-CG 3.31Å; D375-P379 WeakPolarHBondContact O-CG 3.49Å |
| 376 | T | 97 | Very high | 95.8 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -94.9 | -41.2 | 177.5 | -60 | 0 | 0 | 0 | 0 | 111.9 | M335 V336 N373 H374 I380 | M335-T376 HydrophobicContact CE-CG2 3.94Å; V336-T376 HydrophobicContact CG2-CG2 3.71Å; N373-T376 PolarHBondContact O-N 3.26Å; H374-T376 PolarHBondContact O-N 3.39Å; T376-I380 HydrophobicContact CG2-CD1 4.4Å; T376-I380 WeakPolarHBondContact O-CD1 3.44Å; T376-I380 WeakPolarHBondContact O-CG1 3.38Å |
| 377 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -82.2 | -41.6 | -170.4 | -70.7 | 179 | 0 | 0 | 0 | 114 | F331 M335 F339 I370 N373 H374 I380 L381 | F331-L377 HydrophobicContact CE1-CD1 3.97Å; F331-L377 HydrophobicContact CZ-CD1 3.81Å; M335-L377 HydrophobicContact CB-CD2 4.04Å; M335-L377 HydrophobicContact CG-CD2 4.32Å; M335-L377 HydrophobicContact SD-CD2 4.45Å; M335-L377 HydrophobicContact SD-CG 4.32Å; F339-L377 HydrophobicContact CB-CD2 3.72Å; F339-L377 HydrophobicContact CD2-CD1 4.24Å; F339-L377 HydrophobicContact CD2-CD2 3.59Å; F339-L377 HydrophobicContact CE2-CD1 4.16Å; F339-L377 HydrophobicContact CE2-CD2 4.34Å; F339-L377 HydrophobicContact CG-CD2 3.68Å; F339-L377 HydrophobicContact CZ-CD1 4.48Å; I370-L377 HydrophobicContact CB-CD1 4.43Å; I370-L377 HydrophobicContact CG1-CD1 4.13Å; N373-L377 HydrophobicContact CB-CD1 4Å; N373-L377 HydrophobicContact CB-CG 4.37Å; N373-L377 PolarHBondContact O-N 3.33Å; H374-L377 PolarHBondContact O-N 3.13Å; L377-I380 WeakPolarHBondContact O-CB 3.15Å; L377-I380 PolarHBondContact O-N 3.4Å; L377-L381 HydrophobicContact CB-CD1 4.36Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 2.94Å |
| 378 | I | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | -179.9 | -64.5 | -178 | 0 | 0 | 0 | 111 | H374 I380 L381 F382 F408 M411 L415 L419 | H374-I378 HydrophobicContact CB-CD1 3.76Å; H374-I378 HydrophobicContact CB-CG1 4.07Å; H374-I378 WeakPolarHBondContact O-CB 3.35Å; H374-I378 WeakPolarHBondContact O-CG1 3.26Å; H374-I378 PolarHBondContact O-N 2.92Å; I378-I380 PolarHBondContact O-N 2.81Å; I378-I380 VanDerWaalsContact O-N 3.14Å; I378-L381 PolarHBondContact O-N 3.23Å; I378-L381 VanDerWaalsContact O-N 3.17Å; I378-F382 HydrophobicContact CG2-CB 4.12Å; I378-F382 HydrophobicContact CG2-CD2 4.36Å; I378-F382 WeakPolarHBondContact O-CB 3.23Å; I378-F382 PolarHBondContact O-N 3.29Å; I378-F408 HydrophobicContact CD1-CB 4.22Å; I378-F408 HydrophobicContact CD1-CD1 4.34Å; I378-F408 HydrophobicContact CD1-CG 4.36Å; I378-F408 HydrophobicContact CG1-CD1 4.2Å; I378-F408 HydrophobicContact CG1-CG 4.32Å; I378-F408 HydrophobicContact CG2-CD2 4.46Å; I378-M411 HydrophobicContact CD1-CB 4.34Å; I378-M411 HydrophobicContact CD1-SD 4.49Å; I378-L415 HydrophobicContact CB-CD2 4.05Å; I378-L415 HydrophobicContact CD1-CD2 4.47Å; I378-L415 HydrophobicContact CG2-CD2 4.26Å; I378-L415 HydrophobicContact CG2-CG 4.46Å; I378-L419 HydrophobicContact CG2-CD1 3.71Å |
| 379 | P | 96 | Very high | 95.1 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 31% | 0.305 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.2 | -25.7 | 175.9 | -27.2 | 37.1 | 0 | 0 | 0 | 114.9 | D375 P383 L415 L419 | D375-P379 WeakPolarHBondContact O-CD 3.4Å; D375-P379 VanDerWaalsContact O-CG 3.31Å; D375-P379 WeakPolarHBondContact O-CG 3.49Å; P379-P383 WeakPolarHBondContact O-CD 3.36Å; P379-L415 HydrophobicContact CG-CD1 4.31Å; P379-L415 HydrophobicContact CG-CD2 4.42Å; P379-L419 HydrophobicContact CB-CD1 4.36Å; P379-L419 HydrophobicContact CB-CD2 4.12Å; P379-L419 HydrophobicContact CG-CD1 4.2Å; P379-L419 HydrophobicContact CG-CD2 4.48Å |
| 380 | I | 96.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 47.5 Ų | 47.5 | 19% | 0.185 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -78.5 | -42.9 | 177.2 | -66 | 169.5 | 0 | 0 | 0 | 110.7 | V336 F339 K340 T376 L377 I378 | V336-I380 HydrophobicContact CB-CD1 4.35Å; V336-I380 HydrophobicContact CG1-CD1 4Å; V336-I380 HydrophobicContact CG2-CD1 4.25Å; F339-I380 HydrophobicContact CB-CG2 4.48Å; K340-I380 HydrophobicContact CB-CG2 4.42Å; K340-I380 HydrophobicContact CG-CG2 3.68Å; T376-I380 HydrophobicContact CG2-CD1 4.4Å; T376-I380 WeakPolarHBondContact O-CD1 3.44Å; T376-I380 WeakPolarHBondContact O-CG1 3.38Å; L377-I380 WeakPolarHBondContact O-CB 3.15Å; L377-I380 PolarHBondContact O-N 3.4Å; I378-I380 PolarHBondContact O-N 2.81Å; I378-I380 VanDerWaalsContact O-N 3.14Å |
| 381 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -86.6 | -43.1 | -170.9 | -65.9 | 160.9 | 0 | 0 | 0 | 112.5 | F339 A343 W361 L377 I378 P383 S384 F385 F408 | F339-L381 HydrophobicContact CB-CD2 4.22Å; F339-L381 HydrophobicContact CB-CG 4.45Å; F339-L381 HydrophobicContact CD1-CD1 3.65Å; F339-L381 HydrophobicContact CD1-CD2 3.87Å; F339-L381 HydrophobicContact CD1-CG 4.21Å; F339-L381 HydrophobicContact CE1-CD1 4.26Å; F339-L381 HydrophobicContact CG-CD1 4.41Å; A343-L381 HydrophobicContact CB-CD2 4.02Å; W361-L381 HydrophobicContact CH2-CD1 4.4Å; W361-L381 HydrophobicContact CH2-CD2 4.37Å; W361-L381 HydrophobicContact CZ2-CD1 4.05Å; L377-L381 HydrophobicContact CB-CD1 4.36Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 2.94Å; I378-L381 PolarHBondContact O-N 3.23Å; I378-L381 VanDerWaalsContact O-N 3.17Å; L381-P383 VanDerWaalsContact C-CD 3.46Å; L381-S384 PolarHBondContact O-N 3.33Å; L381-S384 VanDerWaalsContact O-N 3.16Å; L381-F385 HydrophobicContact CB-CD1 4.29Å; L381-F385 HydrophobicContact CB-CE1 4.1Å; L381-F385 HydrophobicContact CB-CZ 4.48Å; L381-F385 HydrophobicContact CD2-CE1 3.78Å; L381-F385 HydrophobicContact CD2-CZ 4Å; L381-F385 WeakPolarHBondContact O-CD1 3.46Å; L381-F385 PolarHBondContact O-N 3.45Å; L381-F385 VanDerWaalsContact O-N 3.16Å; L381-F408 HydrophobicContact CB-CE2 4.03Å; L381-F408 HydrophobicContact CB-CZ 4Å; L381-F408 HydrophobicContact CD1-CZ 3.95Å |
| 382 | F | 95.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -52.4 | -45.8 | -170.6 | -171.6 | -82.9 | 0 | 0 | 0 | 114.1 | I378 S384 F385 Y386 L405 F408 C416 L419 A420 | I378-F382 HydrophobicContact CG2-CB 4.12Å; I378-F382 HydrophobicContact CG2-CD2 4.36Å; I378-F382 WeakPolarHBondContact O-CB 3.23Å; I378-F382 PolarHBondContact O-N 3.29Å; F382-S384 VanDerWaalsContact C-N 3.32Å; F382-S384 PolarHBondContact O-N 3.35Å; F382-F385 PolarHBondContact O-N 2.91Å; F382-Y386 HydrophobicContact CE1-CD2 4.25Å; F382-Y386 HydrophobicContact CE1-CG 4.05Å; F382-Y386 HydrophobicContact CZ-CD2 4.17Å; F382-Y386 HydrophobicContact CZ-CG 4.42Å; F382-Y386 VanDerWaalsContact O-CB 3.22Å; F382-Y386 WeakPolarHBondContact O-CB 3.07Å; F382-Y386 PolarHBondContact O-N 3.36Å; F382-L405 HydrophobicContact CD2-CD2 3.99Å; F382-L405 HydrophobicContact CE2-CD2 3.95Å; F382-F408 HydrophobicContact CD2-CD2 4.32Å; F382-C416 HydrophobicContact CD2-CB 4.49Å; F382-C416 HydrophobicContact CE2-CB 3.91Å; F382-L419 HydrophobicContact CB-CD1 3.96Å; F382-L419 HydrophobicContact CD1-CB 3.65Å; F382-L419 HydrophobicContact CE1-CB 3.98Å; F382-L419 HydrophobicContact CG-CB 4.09Å; F382-L419 HydrophobicContact CG-CD1 4.15Å; F382-A420 HydrophobicContact CE1-CB 4.06Å; F382-A420 HydrophobicContact CZ-CB 4.04Å |
| 383 | P | 92.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 33% | 0.331 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.4 | -44.6 | -178.8 | -25.8 | 36.4 | 0 | 0 | 0 | 113 | P379 L381 R387 | P379-P383 WeakPolarHBondContact O-CD 3.36Å; L381-P383 VanDerWaalsContact C-CD 3.46Å; P383-R387 PolarHBondContact O-N 3.01Å |
| 384 | S | 92.6 | Very high | 94 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 178.6 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | S347 L381 F382 R387 I388 | S347-S384 VanDerWaalsContact OG-CB 3.31Å; S347-S384 WeakPolarHBondContact OG-CB 3.49Å; S347-S384 PolarHBondContact OG-OG 3.48Å; L381-S384 PolarHBondContact O-N 3.33Å; L381-S384 VanDerWaalsContact O-N 3.16Å; F382-S384 VanDerWaalsContact C-N 3.32Å; F382-S384 PolarHBondContact O-N 3.35Å; S384-R387 PolarHBondContact O-N 3.27Å; S384-I388 VanDerWaalsContact O-CG1 3.29Å; S384-I388 WeakPolarHBondContact O-CG1 3.3Å; S384-I388 PolarHBondContact O-N 3.03Å |
| 385 | F | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.4 | -44.7 | -174.2 | -75.2 | 45.7 | 0 | 0 | 0 | 110 | V346 L358 W361 L381 F382 R387 I388 S389 V401 V404 L405 F408 | V346-F385 HydrophobicContact CB-CD1 4.41Å; V346-F385 HydrophobicContact CB-CE1 3.74Å; V346-F385 HydrophobicContact CB-CZ 3.93Å; V346-F385 HydrophobicContact CG1-CD1 3.92Å; V346-F385 HydrophobicContact CG1-CD2 4.42Å; V346-F385 HydrophobicContact CG1-CE1 3.65Å; V346-F385 HydrophobicContact CG1-CE2 4.15Å; V346-F385 HydrophobicContact CG1-CG 4.31Å; V346-F385 HydrophobicContact CG1-CZ 3.78Å; V346-F385 HydrophobicContact CG2-CE1 3.89Å; V346-F385 HydrophobicContact CG2-CE2 4.41Å; V346-F385 HydrophobicContact CG2-CZ 3.6Å; L358-F385 HydrophobicContact CD2-CD2 4.42Å; L358-F385 HydrophobicContact CD2-CE2 3.9Å; L358-F385 HydrophobicContact CD2-CZ 4.49Å; W361-F385 HydrophobicContact CE3-CE2 4.34Å; W361-F385 HydrophobicContact CH2-CE1 4.49Å; W361-F385 AromaticContact CH2-CE2 3.52Å; W361-F385 HydrophobicContact CH2-CE2 3.52Å; W361-F385 AromaticContact CH2-CZ 3.29Å; W361-F385 HydrophobicContact CH2-CZ 3.29Å; W361-F385 AromaticContact CZ2-CE2 3.91Å; W361-F385 HydrophobicContact CZ2-CE2 3.91Å; W361-F385 HydrophobicContact CZ2-CZ 4.02Å; W361-F385 AromaticContact CZ3-CE2 3.74Å; W361-F385 HydrophobicContact CZ3-CE2 3.74Å; W361-F385 AromaticContact CZ3-CZ 3.66Å; W361-F385 HydrophobicContact CZ3-CZ 3.66Å; L381-F385 HydrophobicContact CB-CD1 4.29Å; L381-F385 HydrophobicContact CB-CE1 4.1Å; L381-F385 HydrophobicContact CB-CZ 4.48Å; L381-F385 HydrophobicContact CD2-CE1 3.78Å; L381-F385 HydrophobicContact CD2-CZ 4Å; L381-F385 WeakPolarHBondContact O-CD1 3.46Å; L381-F385 PolarHBondContact O-N 3.45Å; L381-F385 VanDerWaalsContact O-N 3.16Å; F382-F385 PolarHBondContact O-N 2.91Å; F385-R387 VanDerWaalsContact C-N 3.29Å; F385-R387 PolarHBondContact O-N 3.43Å; F385-I388 PolarHBondContact O-N 3.09Å; F385-S389 PolarHBondContact O-N 3.21Å; F385-V401 HydrophobicContact CB-CG1 3.96Å; F385-V401 HydrophobicContact CD2-CG1 4.46Å; F385-V401 WeakPolarHBondContact O-CG1 3.34Å; F385-V404 HydrophobicContact CD2-CB 4.26Å; F385-V404 HydrophobicContact CD2-CG1 3.78Å; F385-V404 HydrophobicContact CE2-CB 4.31Å; F385-V404 HydrophobicContact CE2-CG1 3.65Å; F385-L405 HydrophobicContact CB-CD2 3.95Å; F385-L405 HydrophobicContact CB-CG 4.43Å; F385-F408 HydrophobicContact CD2-CE2 4.16Å; F385-F408 HydrophobicContact CE2-CZ 4.44Å |
| 386 | Y | 92.4 | Very high | 94 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 28% | 0.275 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.1 | -39 | 176.3 | -171.1 | -109.7 | 0 | 0 | 0 | 112.4 | F382 S389 H423 | F382-Y386 HydrophobicContact CE1-CD2 4.25Å; F382-Y386 HydrophobicContact CE1-CG 4.05Å; F382-Y386 HydrophobicContact CZ-CD2 4.17Å; F382-Y386 HydrophobicContact CZ-CG 4.42Å; F382-Y386 VanDerWaalsContact O-CB 3.22Å; F382-Y386 WeakPolarHBondContact O-CB 3.07Å; F382-Y386 PolarHBondContact O-N 3.36Å; Y386-S389 PolarHBondContact O-OG 3.41Å; Y386-H423 AromaticContact CD1-CE1 3.92Å; Y386-H423 AromaticContact CD1-ND1 3.61Å; Y386-H423 AromaticContact CE1-ND1 3.92Å |
| 387 | R | 91.3 | Very high | 94 | Very high | 103 Ų | 103 | 50.7 Ų | 50.7 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -50.9 | 173.3 | -178.2 | -176.3 | 61.1 | -176.1 | -2.4 | 112.2 | S347 P383 S384 F385 S389 R390 E391 | S347-R387 PolarHBondContact OG-NH2 2.88Å; P383-R387 PolarHBondContact O-N 3.01Å; S384-R387 PolarHBondContact O-N 3.27Å; F385-R387 VanDerWaalsContact C-N 3.29Å; F385-R387 PolarHBondContact O-N 3.43Å; R387-S389 VanDerWaalsContact C-N 3.28Å; R387-S389 PolarHBondContact O-N 3.06Å; R387-R390 PolarHBondContact O-N 3.35Å; R387-E391 VanDerWaalsContact CG-OE2 3.27Å; R387-E391 WeakPolarHBondContact CG-OE2 3.47Å; R387-E391 PolarHBondContact O-N 2.99Å |
| 388 | I | 91.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -36.1 | -177 | -64.6 | -59.1 | 0 | 0 | 0 | 111.8 | S384 F385 R390 E391 H392 I397 V401 | S384-I388 VanDerWaalsContact O-CG1 3.29Å; S384-I388 WeakPolarHBondContact O-CG1 3.3Å; S384-I388 PolarHBondContact O-N 3.03Å; F385-I388 PolarHBondContact O-N 3.09Å; I388-R390 PolarHBondContact O-N 3.13Å; I388-E391 PolarHBondContact O-N 3.05Å; I388-H392 HydrophobicContact CG2-CB 3.74Å; I388-H392 VanDerWaalsContact O-CB 3.31Å; I388-H392 WeakPolarHBondContact O-CB 3.49Å; I388-H392 PolarHBondContact O-N 3.19Å; I388-H392 VanDerWaalsContact O-N 3.12Å; I388-I397 HydrophobicContact CG2-CG2 3.95Å; I388-V401 HydrophobicContact CB-CG2 4.44Å; I388-V401 HydrophobicContact CG2-CG2 3.81Å |
| 389 | S | 92.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -15 | 175.3 | 76.5 | 0 | 0 | 0 | 0 | 114.7 | F385 Y386 R387 V398 | F385-S389 PolarHBondContact O-N 3.21Å; Y386-S389 PolarHBondContact O-OG 3.41Å; R387-S389 VanDerWaalsContact C-N 3.28Å; R387-S389 PolarHBondContact O-N 3.06Å; S389-V398 WeakPolarHBondContact O-CG1 3.09Å |
| 390 | R | 89 | Confident | 93.9 | Very high | 159 Ų | 159 | 55 Ų | 55 | 60% | 0.6 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -116.2 | -21.6 | -176.8 | -59.8 | -175.8 | 65.1 | -175.4 | 0.8 | 114.2 | R387 I388 | R387-R390 PolarHBondContact O-N 3.35Å; I388-R390 PolarHBondContact O-N 3.13Å |
| 391 | E | 88.9 | Confident | 94 | Very high | 95 Ų | 95 | 53.3 Ų | 53.3 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -128.1 | -7.9 | -162.5 | -68.6 | 169.6 | -161.9 | 0 | 0 | 113.4 | R387 I388 R427 | R387-E391 VanDerWaalsContact CG-OE2 3.27Å; R387-E391 WeakPolarHBondContact CG-OE2 3.47Å; R387-E391 PolarHBondContact O-N 2.99Å; I388-E391 PolarHBondContact O-N 3.05Å; E391-R427 IonicContact OE1-CZ 3.28Å; E391-R427 IonicContact OE1-NH1 2.66Å; E391-R427 PolarHBondContact OE1-NH1 3Å; E391-R427 IonicContact OE1-NH2 3.81Å; E391-R427 PolarHBondContact OE1-NH2 3.48Å |
| 392 | H | 91.5 | Very high | 93.9 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 7% | 0.069 | 27% | 0.27 | C | S | . | . | trans | -73 | 137.2 | 179.9 | -160.9 | -88.3 | 0 | 0 | 0 | 111.7 | S348 I388 N394 V398 | S348-H392 PolarHBondContact O-NE2 3.42Å; I388-H392 HydrophobicContact CG2-CB 3.74Å; I388-H392 VanDerWaalsContact O-CB 3.31Å; I388-H392 WeakPolarHBondContact O-CB 3.49Å; I388-H392 PolarHBondContact O-N 3.19Å; I388-H392 VanDerWaalsContact O-N 3.12Å; H392-N394 PolarHBondContact ND1-N 2.95Å; H392-N394 VanDerWaalsContact ND1-N 3.11Å; H392-N394 PolarHBondContact ND1-O 3.28Å; H392-N394 PolarHBondContact O-N 3.12Å; H392-V398 HydrophobicContact CB-CG2 3.89Å | ||
| 393 | W | 95.6 | Very high | 94 | Very high | 168 Ų | 168 | 58 Ų | 58 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -71.1 | -30.7 | -176.3 | 68.8 | -91.5 | 0 | 0 | 0 | 112.9 | S349 F351 | S349-W393 PolarHBondContact O-NE1 3.37Å; F351-W393 HydrophobicContact CB-CZ2 4.31Å |
| 394 | N | 95.1 | Very high | 94.2 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | trans | -91.3 | 120.7 | 178.7 | -174.6 | -32.5 | 0 | 0 | 0 | 111 | H392 T396 I397 V398 | H392-N394 PolarHBondContact ND1-N 2.95Å; H392-N394 VanDerWaalsContact ND1-N 3.11Å; H392-N394 PolarHBondContact ND1-O 3.28Å; H392-N394 PolarHBondContact O-N 3.12Å; N394-T396 PolarHBondContact O-N 3.17Å; N394-T396 WeakPolarHBondContact OD1-CB 3.28Å; N394-T396 PolarHBondContact OD1-N 3.14Å; N394-I397 HydrophobicContact CB-CG1 4.06Å; N394-I397 PolarHBondContact O-N 3.16Å; N394-V398 PolarHBondContact O-N 3.43Å | ||
| 395 | Q | 95.6 | Very high | 94.4 | Very high | 139 Ų | 139 | 55.7 Ų | 55.7 | 65% | 0.65 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68 | -29.6 | -176.9 | -63.7 | -59.6 | -36.5 | 0 | 0 | 114.1 | I397 V398 A399 | Q395-I397 VanDerWaalsContact C-N 3.34Å; Q395-V398 WeakPolarHBondContact O-CB 3.12Å; Q395-V398 PolarHBondContact O-N 3.39Å; Q395-A399 PolarHBondContact O-N 2.87Å |
| 396 | T | 96 | Very high | 94.4 | Very high | 79 Ų | 79 | 61 Ų | 61 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | N394 V398 A399 L400 | N394-T396 PolarHBondContact O-N 3.17Å; N394-T396 WeakPolarHBondContact OD1-CB 3.28Å; N394-T396 PolarHBondContact OD1-N 3.14Å; T396-V398 VanDerWaalsContact C-N 3.34Å; T396-V398 PolarHBondContact O-N 2.84Å; T396-A399 PolarHBondContact O-N 3.16Å; T396-L400 HydrophobicContact CG2-CD1 4.34Å; T396-L400 WeakPolarHBondContact O-CG 3.24Å; T396-L400 PolarHBondContact O-N 3.04Å |
| 397 | I | 96.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.1 | -56.7 | -56 | 0 | 0 | 0 | 110.7 | F351 A354 E355 L358 I388 N394 Q395 A399 L400 V401 | F351-I397 HydrophobicContact CB-CD1 4.49Å; F351-I397 HydrophobicContact CB-CG1 4.37Å; A354-I397 HydrophobicContact CB-CD1 4.03Å; A354-I397 HydrophobicContact CB-CG1 4.4Å; A354-I397 HydrophobicContact CB-CG2 4.06Å; E355-I397 HydrophobicContact CB-CD1 3.85Å; L358-I397 HydrophobicContact CD1-CG2 3.99Å; I388-I397 HydrophobicContact CG2-CG2 3.95Å; N394-I397 HydrophobicContact CB-CG1 4.06Å; N394-I397 PolarHBondContact O-N 3.16Å; Q395-I397 VanDerWaalsContact C-N 3.34Å; I397-A399 VanDerWaalsContact C-N 3.3Å; I397-A399 PolarHBondContact O-N 2.89Å; I397-L400 HydrophobicContact CD1-CD1 4.48Å; I397-L400 PolarHBondContact O-N 3.21Å; I397-V401 HydrophobicContact CG2-CG2 4.28Å; I397-V401 WeakPolarHBondContact O-CB 3.4Å; I397-V401 VanDerWaalsContact O-CG2 3.26Å; I397-V401 WeakPolarHBondContact O-CG2 3.45Å; I397-V401 PolarHBondContact O-N 2.92Å |
| 398 | V | 96.1 | Very high | 94.7 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -44.7 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | S389 H392 N394 Q395 T396 G402 | S389-V398 WeakPolarHBondContact O-CG1 3.09Å; H392-V398 HydrophobicContact CB-CG2 3.89Å; N394-V398 PolarHBondContact O-N 3.43Å; Q395-V398 WeakPolarHBondContact O-CB 3.12Å; Q395-V398 PolarHBondContact O-N 3.39Å; T396-V398 VanDerWaalsContact C-N 3.34Å; T396-V398 PolarHBondContact O-N 2.84Å; V398-G402 PolarHBondContact O-N 2.98Å |
| 399 | A | 95.9 | Very high | 94.8 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 46% | 0.463 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q395 T396 I397 G402 N403 | Q395-A399 PolarHBondContact O-N 2.87Å; T396-A399 PolarHBondContact O-N 3.16Å; I397-A399 VanDerWaalsContact C-N 3.3Å; I397-A399 PolarHBondContact O-N 2.89Å; A399-G402 WeakPolarHBondContact O-CA 3.43Å; A399-G402 PolarHBondContact O-N 3.27Å; A399-G402 VanDerWaalsContact O-N 3.15Å; A399-N403 PolarHBondContact O-N 3.1Å |
| 400 | L | 96.7 | Very high | 94.9 | Very high | 50 Ų | 50 | 64.4 Ų | 64.4 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 176.9 | -72 | 174.2 | 0 | 0 | 0 | 111.5 | E355 L358 T396 I397 G402 N403 V404 | E355-L400 HydrophobicContact CG-CD1 4.19Å; L358-L400 HydrophobicContact CB-CB 4.43Å; L358-L400 HydrophobicContact CD1-CB 3.85Å; L358-L400 HydrophobicContact CD1-CD1 4.44Å; T396-L400 HydrophobicContact CG2-CD1 4.34Å; T396-L400 WeakPolarHBondContact O-CG 3.24Å; T396-L400 PolarHBondContact O-N 3.04Å; I397-L400 HydrophobicContact CD1-CD1 4.48Å; I397-L400 PolarHBondContact O-N 3.21Å; L400-G402 VanDerWaalsContact C-N 3.28Å; L400-G402 PolarHBondContact O-N 3.39Å; L400-N403 WeakPolarHBondContact O-CB 3.47Å; L400-N403 PolarHBondContact O-N 3.29Å; L400-N403 VanDerWaalsContact O-N 3.13Å; L400-V404 PolarHBondContact O-N 3.3Å |
| 401 | V | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -40.2 | 175 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | V346 L358 F385 I388 I397 N403 V404 L405 | V346-V401 HydrophobicContact CG1-CG2 4.26Å; L358-V401 HydrophobicContact CD1-CG2 3.61Å; L358-V401 HydrophobicContact CD2-CG2 3.79Å; L358-V401 HydrophobicContact CG-CG2 4.33Å; F385-V401 HydrophobicContact CB-CG1 3.96Å; F385-V401 HydrophobicContact CD2-CG1 4.46Å; F385-V401 WeakPolarHBondContact O-CG1 3.34Å; I388-V401 HydrophobicContact CB-CG2 4.44Å; I388-V401 HydrophobicContact CG2-CG2 3.81Å; I397-V401 HydrophobicContact CG2-CG2 4.28Å; I397-V401 WeakPolarHBondContact O-CB 3.4Å; I397-V401 VanDerWaalsContact O-CG2 3.26Å; I397-V401 WeakPolarHBondContact O-CG2 3.45Å; I397-V401 PolarHBondContact O-N 2.92Å; V401-N403 VanDerWaalsContact C-N 3.28Å; V401-N403 PolarHBondContact O-N 2.91Å; V401-V404 PolarHBondContact O-N 3.49Å; V401-L405 HydrophobicContact CG1-CD1 4.06Å; V401-L405 HydrophobicContact CG1-CG 4.28Å; V401-L405 WeakPolarHBondContact O-CG 3.45Å; V401-L405 PolarHBondContact O-N 3.11Å |
| 402 | G | 95.9 | Very high | 95.4 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -39 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V398 A399 L400 K406 | V398-G402 PolarHBondContact O-N 2.98Å; A399-G402 WeakPolarHBondContact O-CA 3.43Å; A399-G402 PolarHBondContact O-N 3.27Å; A399-G402 VanDerWaalsContact O-N 3.15Å; L400-G402 VanDerWaalsContact C-N 3.28Å; L400-G402 PolarHBondContact O-N 3.39Å; G402-K406 WeakPolarHBondContact O-CG 3.31Å; G402-K406 PolarHBondContact O-N 2.73Å |
| 403 | N | 95.7 | Very high | 95.5 | Very high | 86 Ų | 86 | 58.5 Ų | 58.5 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 174.5 | -68.1 | -20.4 | 0 | 0 | 0 | 111.6 | A399 L400 V401 L405 K406 I407 | A399-N403 PolarHBondContact O-N 3.1Å; L400-N403 WeakPolarHBondContact O-CB 3.47Å; L400-N403 PolarHBondContact O-N 3.29Å; L400-N403 VanDerWaalsContact O-N 3.13Å; V401-N403 VanDerWaalsContact C-N 3.28Å; V401-N403 PolarHBondContact O-N 2.91Å; N403-L405 VanDerWaalsContact C-N 3.31Å; N403-L405 PolarHBondContact O-N 3.47Å; N403-K406 WeakPolarHBondContact O-CB 3.33Å; N403-K406 PolarHBondContact O-N 3.28Å; N403-K406 VanDerWaalsContact O-N 3.07Å; N403-I407 PolarHBondContact O-N 2.96Å |
| 404 | V | 96.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | L358 W361 F385 L400 V401 K406 I407 F408 | L358-V404 HydrophobicContact CD2-CG2 3.95Å; W361-V404 HydrophobicContact CB-CG2 3.76Å; W361-V404 HydrophobicContact CD2-CB 4.28Å; W361-V404 HydrophobicContact CD2-CG1 3.55Å; W361-V404 HydrophobicContact CD2-CG2 3.69Å; W361-V404 HydrophobicContact CE3-CG1 4.23Å; W361-V404 HydrophobicContact CE3-CG2 3.97Å; W361-V404 HydrophobicContact CG-CB 4.24Å; W361-V404 HydrophobicContact CG-CG1 3.75Å; W361-V404 HydrophobicContact CG-CG2 3.57Å; W361-V404 HydrophobicContact CZ2-CG1 3.99Å; F385-V404 HydrophobicContact CD2-CB 4.26Å; F385-V404 HydrophobicContact CD2-CG1 3.78Å; F385-V404 HydrophobicContact CE2-CB 4.31Å; F385-V404 HydrophobicContact CE2-CG1 3.65Å; L400-V404 PolarHBondContact O-N 3.3Å; V401-V404 PolarHBondContact O-N 3.49Å; V404-K406 PolarHBondContact O-N 3.34Å; V404-I407 WeakPolarHBondContact O-CB 3.22Å; V404-I407 PolarHBondContact O-N 3.32Å; V404-I407 VanDerWaalsContact O-N 3.15Å; V404-F408 HydrophobicContact CG1-CD1 4.43Å; V404-F408 HydrophobicContact CG1-CE1 3.98Å; V404-F408 HydrophobicContact CG1-CE2 4.07Å; V404-F408 HydrophobicContact CG1-CZ 3.77Å; V404-F408 PolarHBondContact O-N 3.14Å |
| 405 | L | 96.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -30.9 | 176.1 | -72.3 | 173.6 | 0 | 0 | 0 | 112.3 | F382 F385 V401 N403 F408 M409 | F382-L405 HydrophobicContact CD2-CD2 3.99Å; F382-L405 HydrophobicContact CE2-CD2 3.95Å; F385-L405 HydrophobicContact CB-CD2 3.95Å; F385-L405 HydrophobicContact CB-CG 4.43Å; V401-L405 HydrophobicContact CG1-CD1 4.06Å; V401-L405 HydrophobicContact CG1-CG 4.28Å; V401-L405 WeakPolarHBondContact O-CG 3.45Å; V401-L405 PolarHBondContact O-N 3.11Å; N403-L405 VanDerWaalsContact C-N 3.31Å; N403-L405 PolarHBondContact O-N 3.47Å; L405-F408 HydrophobicContact CD2-CD2 4.23Å; L405-M409 WeakPolarHBondContact O-CG 3.22Å; L405-M409 PolarHBondContact O-N 3.28Å; L405-M409 VanDerWaalsContact O-N 3.09Å |
| 406 | K | 95.3 | Very high | 95.4 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 172 | -67.9 | 170.4 | -174.6 | 170.2 | 0 | 111.4 | G402 N403 V404 F408 M409 E410 | G402-K406 WeakPolarHBondContact O-CG 3.31Å; G402-K406 PolarHBondContact O-N 2.73Å; N403-K406 WeakPolarHBondContact O-CB 3.33Å; N403-K406 PolarHBondContact O-N 3.28Å; N403-K406 VanDerWaalsContact O-N 3.07Å; V404-K406 PolarHBondContact O-N 3.34Å; K406-F408 VanDerWaalsContact C-N 3.29Å; K406-F408 PolarHBondContact O-N 2.94Å; K406-M409 HydrophobicContact CB-CE 4.4Å; K406-M409 HydrophobicContact CG-CE 4.07Å; K406-M409 WeakPolarHBondContact O-CB 3.48Å; K406-M409 PolarHBondContact O-N 3.12Å; K406-E410 WeakPolarHBondContact O-CG 3.29Å; K406-E410 PolarHBondContact O-N 3.32Å |
| 407 | I | 95.2 | Very high | 95.3 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 23% | 0.226 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 175.5 | -61 | 171.6 | 0 | 0 | 0 | 110.3 | W361 N403 V404 M409 E410 M411 | W361-I407 HydrophobicContact CB-CD1 4.26Å; N403-I407 PolarHBondContact O-N 2.96Å; V404-I407 WeakPolarHBondContact O-CB 3.22Å; V404-I407 PolarHBondContact O-N 3.32Å; V404-I407 VanDerWaalsContact O-N 3.15Å; I407-M409 VanDerWaalsContact C-N 3.34Å; I407-M409 PolarHBondContact O-N 2.91Å; I407-E410 PolarHBondContact O-N 3.29Å; I407-M411 HydrophobicContact CG2-CE 3.55Å; I407-M411 HydrophobicContact CG2-SD 4.23Å; I407-M411 WeakPolarHBondContact O-CG 3.35Å; I407-M411 PolarHBondContact O-N 2.84Å |
| 408 | F | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 175.8 | -68.2 | -12.5 | 0 | 0 | 0 | 113.4 | W361 I370 I378 L381 F382 F385 V404 L405 K406 E410 M411 N412 C416 | W361-F408 AromaticContact CE2-CE1 3.94Å; W361-F408 AromaticContact CZ2-CE1 3.96Å; W361-F408 HydrophobicContact CZ2-CE1 3.96Å; W361-F408 AromaticContact CZ2-CZ 3.65Å; W361-F408 HydrophobicContact CZ2-CZ 3.65Å; W361-F408 AromaticContact NE1-CE1 3.43Å; W361-F408 AromaticContact NE1-CZ 3.97Å; I370-F408 HydrophobicContact CG2-CE1 4.39Å; I378-F408 HydrophobicContact CD1-CB 4.22Å; I378-F408 HydrophobicContact CD1-CD1 4.34Å; I378-F408 HydrophobicContact CD1-CG 4.36Å; I378-F408 HydrophobicContact CG1-CD1 4.2Å; I378-F408 HydrophobicContact CG1-CG 4.32Å; I378-F408 HydrophobicContact CG2-CD2 4.46Å; L381-F408 HydrophobicContact CB-CE2 4.03Å; L381-F408 HydrophobicContact CB-CZ 4Å; L381-F408 HydrophobicContact CD1-CZ 3.95Å; F382-F408 HydrophobicContact CD2-CD2 4.32Å; F385-F408 HydrophobicContact CD2-CE2 4.16Å; F385-F408 HydrophobicContact CE2-CZ 4.44Å; V404-F408 HydrophobicContact CG1-CD1 4.43Å; V404-F408 HydrophobicContact CG1-CE1 3.98Å; V404-F408 HydrophobicContact CG1-CE2 4.07Å; V404-F408 HydrophobicContact CG1-CZ 3.77Å; V404-F408 PolarHBondContact O-N 3.14Å; L405-F408 HydrophobicContact CD2-CD2 4.23Å; K406-F408 VanDerWaalsContact C-N 3.29Å; K406-F408 PolarHBondContact O-N 2.94Å; F408-E410 VanDerWaalsContact C-N 3.34Å; F408-M411 HydrophobicContact CD1-SD 4.28Å; F408-M411 PolarHBondContact O-N 3.2Å; F408-N412 PolarHBondContact O-N 3.03Å; F408-C416 VanDerWaalsContact C-SG 3.54Å; F408-C416 PolarHBondContact O-SG 3.08Å |
| 409 | M | 94.5 | Very high | 95.1 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 40% | 0.404 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 176.6 | -73.1 | -174 | -63.5 | 0 | 0 | 112.3 | L405 K406 I407 T413 C416 | L405-M409 WeakPolarHBondContact O-CG 3.22Å; L405-M409 PolarHBondContact O-N 3.28Å; L405-M409 VanDerWaalsContact O-N 3.09Å; K406-M409 HydrophobicContact CB-CE 4.4Å; K406-M409 HydrophobicContact CG-CE 4.07Å; K406-M409 WeakPolarHBondContact O-CB 3.48Å; K406-M409 PolarHBondContact O-N 3.12Å; I407-M409 VanDerWaalsContact C-N 3.34Å; I407-M409 PolarHBondContact O-N 2.91Å; M409-T413 WeakPolarHBondContact O-CA 3.18Å; M409-T413 PolarHBondContact O-N 3.31Å; M409-T413 VanDerWaalsContact O-N 3.1Å; M409-T413 PolarHBondContact O-OG1 3.21Å; M409-C416 HydrophobicContact CG-CB 4.15Å |
| 410 | E | 94.1 | Very high | 94.9 | Very high | 158 Ų | 158 | 54.4 Ų | 54.4 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.2 | -40.1 | 174.5 | -71.3 | 168.6 | -171.1 | 0 | 0 | 111.4 | K406 I407 F408 | K406-E410 WeakPolarHBondContact O-CG 3.29Å; K406-E410 PolarHBondContact O-N 3.32Å; I407-E410 PolarHBondContact O-N 3.29Å; F408-E410 VanDerWaalsContact C-N 3.34Å |
| 411 | M | 93.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -50.5 | 175.5 | -68.5 | 169 | 174.8 | 0 | 0 | 112.4 | V367 I370 E371 I378 I407 F408 | V367-M411 HydrophobicContact CG1-CE 3.77Å; I370-M411 HydrophobicContact CG2-CE 4.3Å; I370-M411 HydrophobicContact CG2-SD 4.22Å; E371-M411 HydrophobicContact CB-CE 3.99Å; E371-M411 HydrophobicContact CG-CG 4.27Å; I378-M411 HydrophobicContact CD1-CB 4.34Å; I378-M411 HydrophobicContact CD1-SD 4.49Å; I407-M411 HydrophobicContact CG2-CE 3.55Å; I407-M411 HydrophobicContact CG2-SD 4.23Å; I407-M411 WeakPolarHBondContact O-CG 3.35Å; I407-M411 PolarHBondContact O-N 2.84Å; F408-M411 HydrophobicContact CD1-SD 4.28Å; F408-M411 PolarHBondContact O-N 3.2Å |
| 412 | N | 93.8 | Very high | 94.5 | Very high | 38 Ų | 38 | 64 Ų | 64 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | trans | -155.7 | 88.7 | -178.8 | -165.8 | -32.7 | 0 | 0 | 0 | 112.1 | H374 F408 N414 L415 C416 | H374-N412 PolarHBondContact NE2-ND2 3.4Å; F408-N412 PolarHBondContact O-N 3.03Å; N412-N414 VanDerWaalsContact C-N 3.31Å; N412-N414 PolarHBondContact O-N 3.13Å; N412-N414 PolarHBondContact OD1-N 3.06Å; N412-L415 HydrophobicContact CB-CB 3.97Å; N412-L415 VanDerWaalsContact CG-CB 3.44Å; N412-L415 PolarHBondContact O-N 2.84Å; N412-L415 WeakPolarHBondContact OD1-CB 3.44Å; N412-L415 PolarHBondContact OD1-N 2.79Å; N412-C416 PolarHBondContact O-N 3.22Å; N412-C416 VanDerWaalsContact O-N 3.12Å; N412-C416 PolarHBondContact O-SG 2.95Å; N412-C416 VanDerWaalsContact O-SG 3.37Å | ||
| 413 | T | 94.7 | Very high | 94.2 | Very high | 74 Ų | 74 | 64.6 Ų | 64.6 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | -179.3 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | M409 C416 N417 | M409-T413 WeakPolarHBondContact O-CA 3.18Å; M409-T413 PolarHBondContact O-N 3.31Å; M409-T413 VanDerWaalsContact O-N 3.1Å; M409-T413 PolarHBondContact O-OG1 3.21Å; T413-C416 PolarHBondContact O-N 3.49Å; T413-N417 WeakPolarHBondContact O-CB 3.26Å; T413-N417 VanDerWaalsContact O-CG 3.28Å; T413-N417 PolarHBondContact O-N 3.31Å; T413-N417 PolarHBondContact O-ND2 3.22Å |
| 414 | N | 95.3 | Very high | 93.8 | Very high | 117 Ų | 117 | 65.9 Ų | 65.9 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.3 | -45.3 | -177.8 | -72.9 | -33 | 0 | 0 | 0 | 111.5 | N412 N417 Q418 | N412-N414 VanDerWaalsContact C-N 3.31Å; N412-N414 PolarHBondContact O-N 3.13Å; N412-N414 PolarHBondContact OD1-N 3.06Å; N414-N417 PolarHBondContact O-N 3.39Å; N414-Q418 VanDerWaalsContact O-CG 3.3Å; N414-Q418 WeakPolarHBondContact O-CG 3.38Å; N414-Q418 PolarHBondContact O-N 2.9Å |
| 415 | L | 94.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 67.9 Ų | 67.9 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 176.9 | -178.9 | 58.9 | 0 | 0 | 0 | 111.3 | I378 P379 N412 N417 Q418 L419 | I378-L415 HydrophobicContact CB-CD2 4.05Å; I378-L415 HydrophobicContact CD1-CD2 4.47Å; I378-L415 HydrophobicContact CG2-CD2 4.26Å; I378-L415 HydrophobicContact CG2-CG 4.46Å; P379-L415 HydrophobicContact CG-CD1 4.31Å; P379-L415 HydrophobicContact CG-CD2 4.42Å; N412-L415 HydrophobicContact CB-CB 3.97Å; N412-L415 VanDerWaalsContact CG-CB 3.44Å; N412-L415 PolarHBondContact O-N 2.84Å; N412-L415 WeakPolarHBondContact OD1-CB 3.44Å; N412-L415 PolarHBondContact OD1-N 2.79Å; L415-N417 PolarHBondContact O-N 3.41Å; L415-Q418 PolarHBondContact O-N 3.25Å; L415-L419 HydrophobicContact CD1-CD1 4.12Å; L415-L419 HydrophobicContact CD1-CG 4.28Å; L415-L419 HydrophobicContact CG-CD1 3.97Å; L415-L419 VanDerWaalsContact O-CG 3.28Å; L415-L419 WeakPolarHBondContact O-CG 3.31Å; L415-L419 PolarHBondContact O-N 3.32Å |
| 416 | C | 94.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 177.7 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | F382 F408 M409 N412 T413 L419 A420 | F382-C416 HydrophobicContact CD2-CB 4.49Å; F382-C416 HydrophobicContact CE2-CB 3.91Å; F408-C416 VanDerWaalsContact C-SG 3.54Å; F408-C416 PolarHBondContact O-SG 3.08Å; M409-C416 HydrophobicContact CG-CB 4.15Å; N412-C416 PolarHBondContact O-N 3.22Å; N412-C416 VanDerWaalsContact O-N 3.12Å; N412-C416 PolarHBondContact O-SG 2.95Å; N412-C416 VanDerWaalsContact O-SG 3.37Å; T413-C416 PolarHBondContact O-N 3.49Å; C416-L419 PolarHBondContact O-N 3.28Å; C416-A420 WeakPolarHBondContact O-CB 3.42Å; C416-A420 PolarHBondContact O-N 3.47Å |
| 417 | N | 93.9 | Very high | 92.8 | Very high | 93 Ų | 93 | 68.5 Ų | 68.5 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 177 | -74.2 | -25.7 | 0 | 0 | 0 | 112.2 | T413 N414 L415 L419 A420 E421 | T413-N417 WeakPolarHBondContact O-CB 3.26Å; T413-N417 VanDerWaalsContact O-CG 3.28Å; T413-N417 PolarHBondContact O-N 3.31Å; T413-N417 PolarHBondContact O-ND2 3.22Å; N414-N417 PolarHBondContact O-N 3.39Å; L415-N417 PolarHBondContact O-N 3.41Å; N417-L419 VanDerWaalsContact C-N 3.35Å; N417-L419 PolarHBondContact O-N 2.97Å; N417-A420 PolarHBondContact O-N 3.4Å; N417-E421 PolarHBondContact O-N 3.06Å; N417-E421 VanDerWaalsContact O-N 3.13Å |
| 418 | Q | 94.7 | Very high | 92.6 | Very high | 134 Ų | 134 | 71.9 Ų | 71.9 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 176 | -70.6 | 173.8 | 28.8 | 0 | 0 | 111.8 | N414 L415 E421 K422 | N414-Q418 VanDerWaalsContact O-CG 3.3Å; N414-Q418 WeakPolarHBondContact O-CG 3.38Å; N414-Q418 PolarHBondContact O-N 2.9Å; L415-Q418 PolarHBondContact O-N 3.25Å; Q418-E421 PolarHBondContact O-N 3.03Å; Q418-K422 WeakPolarHBondContact O-CB 3.37Å; Q418-K422 PolarHBondContact O-N 3.4Å |
| 419 | L | 93.9 | Very high | 92.4 | Very high | 20 Ų | 20 | 78.7 Ų | 78.7 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 178.6 | -69.2 | 170.2 | 0 | 0 | 0 | 112.3 | I378 P379 F382 L415 C416 N417 K422 H423 | I378-L419 HydrophobicContact CG2-CD1 3.71Å; P379-L419 HydrophobicContact CB-CD1 4.36Å; P379-L419 HydrophobicContact CB-CD2 4.12Å; P379-L419 HydrophobicContact CG-CD1 4.2Å; P379-L419 HydrophobicContact CG-CD2 4.48Å; F382-L419 HydrophobicContact CB-CD1 3.96Å; F382-L419 HydrophobicContact CD1-CB 3.65Å; F382-L419 HydrophobicContact CE1-CB 3.98Å; F382-L419 HydrophobicContact CG-CB 4.09Å; F382-L419 HydrophobicContact CG-CD1 4.15Å; L415-L419 HydrophobicContact CD1-CD1 4.12Å; L415-L419 HydrophobicContact CD1-CG 4.28Å; L415-L419 HydrophobicContact CG-CD1 3.97Å; L415-L419 VanDerWaalsContact O-CG 3.28Å; L415-L419 WeakPolarHBondContact O-CG 3.31Å; L415-L419 PolarHBondContact O-N 3.32Å; C416-L419 PolarHBondContact O-N 3.28Å; N417-L419 VanDerWaalsContact C-N 3.35Å; N417-L419 PolarHBondContact O-N 2.97Å; L419-K422 PolarHBondContact O-N 3.36Å; L419-H423 VanDerWaalsContact O-CB 3.26Å; L419-H423 WeakPolarHBondContact O-CB 3.27Å; L419-H423 PolarHBondContact O-N 3.16Å |
| 420 | A | 92 | Very high | 92.1 | Very high | 25 Ų | 25 | 79.8 Ų | 79.8 | 21% | 0.207 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F382 C416 N417 H423 K424 | F382-A420 HydrophobicContact CE1-CB 4.06Å; F382-A420 HydrophobicContact CZ-CB 4.04Å; C416-A420 WeakPolarHBondContact O-CB 3.42Å; C416-A420 PolarHBondContact O-N 3.47Å; N417-A420 PolarHBondContact O-N 3.4Å; A420-H423 PolarHBondContact O-N 3.46Å; A420-K424 PolarHBondContact O-N 3.17Å |
| 421 | E | 92.7 | Very high | 91.9 | Very high | 101 Ų | 101 | 79 Ų | 79 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 176.9 | -170.8 | 55.9 | -148.7 | 0 | 0 | 111.3 | N417 Q418 H423 K424 V425 | N417-E421 PolarHBondContact O-N 3.06Å; N417-E421 VanDerWaalsContact O-N 3.13Å; Q418-E421 PolarHBondContact O-N 3.03Å; E421-H423 VanDerWaalsContact C-N 3.31Å; E421-H423 PolarHBondContact O-N 3.44Å; E421-K424 WeakPolarHBondContact O-CB 3.43Å; E421-K424 PolarHBondContact O-N 2.97Å; E421-K424 VanDerWaalsContact O-N 3.16Å; E421-K424 IonicContact OE2-NZ 3.5Å; E421-V425 WeakPolarHBondContact O-CG2 3.33Å; E421-V425 PolarHBondContact O-N 3.41Å |
| 422 | K | 92.4 | Very high | 91.9 | Very high | 149 Ų | 149 | 83.8 Ų | 83.8 | 65% | 0.648 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.1 | -42.8 | 174.4 | -174.8 | 179.6 | 178.8 | -178.8 | 0 | 111.9 | Q418 L419 V425 E426 | Q418-K422 WeakPolarHBondContact O-CB 3.37Å; Q418-K422 PolarHBondContact O-N 3.4Å; L419-K422 PolarHBondContact O-N 3.36Å; K422-V425 PolarHBondContact O-N 2.91Å; K422-E426 WeakPolarHBondContact O-CB 3.47Å; K422-E426 PolarHBondContact O-N 3.35Å |
| 423 | H | 88 | Confident | 91.9 | Very high | 37 Ų | 37 | 87.6 Ų | 87.6 | 17% | 0.171 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 177.5 | -176.7 | -81.7 | 0 | 0 | 0 | 111.7 | Y386 L419 A420 E421 E426 R427 | Y386-H423 AromaticContact CD1-CE1 3.92Å; Y386-H423 AromaticContact CD1-ND1 3.61Å; Y386-H423 AromaticContact CE1-ND1 3.92Å; L419-H423 VanDerWaalsContact O-CB 3.26Å; L419-H423 WeakPolarHBondContact O-CB 3.27Å; L419-H423 PolarHBondContact O-N 3.16Å; A420-H423 PolarHBondContact O-N 3.46Å; E421-H423 VanDerWaalsContact C-N 3.31Å; E421-H423 PolarHBondContact O-N 3.44Å; H423-E426 PolarHBondContact O-N 3.24Å; H423-R427 WeakPolarHBondContact O-CB 3.3Å; H423-R427 PolarHBondContact O-N 2.91Å |
| 424 | K | 88.2 | Confident | 91.7 | Very high | 113 Ų | 113 | 88.9 Ų | 88.9 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 175.2 | -176.5 | -175.7 | 172.6 | -165.4 | 0 | 111.8 | A420 E421 Q428 | A420-K424 PolarHBondContact O-N 3.17Å; E421-K424 WeakPolarHBondContact O-CB 3.43Å; E421-K424 PolarHBondContact O-N 2.97Å; E421-K424 VanDerWaalsContact O-N 3.16Å; E421-K424 IonicContact OE2-NZ 3.5Å; K424-Q428 WeakPolarHBondContact O-CG 3.39Å; K424-Q428 PolarHBondContact O-N 2.73Å; K424-Q428 VanDerWaalsContact O-N 3.12Å |
| 425 | V | 92 | Very high | 91.6 | Very high | 48 Ų | 48 | 89.7 Ų | 89.7 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | E421 K422 R427 Q428 R429 | E421-V425 WeakPolarHBondContact O-CG2 3.33Å; E421-V425 PolarHBondContact O-N 3.41Å; K422-V425 PolarHBondContact O-N 2.91Å; V425-R427 PolarHBondContact O-N 2.65Å; V425-Q428 WeakPolarHBondContact O-CB 3.49Å; V425-Q428 PolarHBondContact O-N 2.85Å; V425-R429 WeakPolarHBondContact O-CG 3.41Å; V425-R429 PolarHBondContact O-N 3.12Å |
| 426 | E | 89.7 | Confident | 91.6 | Very high | 76 Ų | 76 | 92.9 Ų | 92.9 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | -179.1 | -167.4 | 58.1 | -153.9 | 0 | 0 | 111.8 | K422 H423 Q428 R429 E430 R433 | K422-E426 WeakPolarHBondContact O-CB 3.47Å; K422-E426 PolarHBondContact O-N 3.35Å; H423-E426 PolarHBondContact O-N 3.24Å; E426-Q428 VanDerWaalsContact C-N 3.31Å; E426-Q428 PolarHBondContact O-N 3.11Å; E426-R429 WeakPolarHBondContact O-CB 3.42Å; E426-R429 PolarHBondContact O-N 3.23Å; E426-R429 VanDerWaalsContact O-N 3.11Å; E426-R429 IonicContact OE2-NH1 2.69Å; E426-E430 PolarHBondContact O-N 3.39Å; E426-R433 IonicContact OE1-CZ 3.62Å; E426-R433 IonicContact OE1-NH2 3.53Å; E426-R433 PolarHBondContact OE1-NH2 2.99Å |
| 427 | R | 86 | Confident | 91.5 | Very high | 68 Ų | 68 | 100.2 Ų | 100.2 | 26% | 0.257 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63 | -35.8 | 174.5 | -168.5 | 175.4 | -174.9 | 161.8 | 5.3 | 112.8 | E391 H423 V425 R431 | E391-R427 IonicContact OE1-CZ 3.28Å; E391-R427 IonicContact OE1-NH1 2.66Å; E391-R427 PolarHBondContact OE1-NH1 3Å; E391-R427 IonicContact OE1-NH2 3.81Å; E391-R427 PolarHBondContact OE1-NH2 3.48Å; H423-R427 WeakPolarHBondContact O-CB 3.3Å; H423-R427 PolarHBondContact O-N 2.91Å; V425-R427 PolarHBondContact O-N 2.65Å; R427-R431 WeakPolarHBondContact O-CG 3.36Å; R427-R431 PolarHBondContact O-N 3.32Å; R427-R431 VanDerWaalsContact O-N 3.12Å |
| 428 | Q | 90.2 | Very high | 91.5 | Very high | 116 Ų | 116 | 101.1 Ų | 101.1 | 54% | 0.542 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 172.6 | -73.3 | 177.6 | -6.2 | 0 | 0 | 111.7 | K424 V425 E426 K432 | K424-Q428 WeakPolarHBondContact O-CG 3.39Å; K424-Q428 PolarHBondContact O-N 2.73Å; K424-Q428 VanDerWaalsContact O-N 3.12Å; V425-Q428 WeakPolarHBondContact O-CB 3.49Å; V425-Q428 PolarHBondContact O-N 2.85Å; E426-Q428 VanDerWaalsContact C-N 3.31Å; E426-Q428 PolarHBondContact O-N 3.11Å; Q428-K432 PolarHBondContact O-N 3.35Å |
| 429 | R | 92.2 | Very high | 91.5 | Very high | 143 Ų | 143 | 100 Ų | 100 | 54% | 0.54 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 175.7 | -70.6 | 173.4 | 176.2 | 178.7 | -2.2 | 112.4 | V425 E426 K432 R433 | V425-R429 WeakPolarHBondContact O-CG 3.41Å; V425-R429 PolarHBondContact O-N 3.12Å; E426-R429 WeakPolarHBondContact O-CB 3.42Å; E426-R429 PolarHBondContact O-N 3.23Å; E426-R429 VanDerWaalsContact O-N 3.11Å; E426-R429 IonicContact OE2-NH1 2.69Å; R429-K432 PolarHBondContact O-N 3.24Å; R429-R433 PolarHBondContact O-N 3.06Å |
| 430 | E | 88.6 | Confident | 91.5 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 176.7 | -173.1 | 171 | -143.5 | 0 | 0 | 111.3 | E426 K432 R433 E434 | E426-E430 PolarHBondContact O-N 3.39Å; E430-K432 PolarHBondContact O-N 3.12Å; E430-R433 WeakPolarHBondContact O-CB 3.36Å; E430-R433 PolarHBondContact O-N 2.67Å; E430-E434 PolarHBondContact O-N 3.17Å |
| 431 | R | 89.3 | Confident | 91.4 | Very high | 142 Ų | 142 | 111.1 Ų | 111.1 | 54% | 0.536 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.1 | -36.1 | 173.6 | -74.7 | 176.7 | 174.1 | -178 | -1.4 | 113 | R427 K435 | R427-R431 WeakPolarHBondContact O-CG 3.36Å; R427-R431 PolarHBondContact O-N 3.32Å; R427-R431 VanDerWaalsContact O-N 3.12Å; R431-K435 WeakPolarHBondContact O-CG 3.47Å; R431-K435 PolarHBondContact O-N 3.06Å |
| 432 | K | 93.6 | Very high | 91.5 | Very high | 132 Ų | 132 | 112.4 Ų | 112.4 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.4 | -46 | 175.1 | -166.4 | -169.9 | 180 | -154.7 | 0 | 111.2 | Q428 R429 E430 E434 K435 E436 | Q428-K432 PolarHBondContact O-N 3.35Å; R429-K432 PolarHBondContact O-N 3.24Å; E430-K432 PolarHBondContact O-N 3.12Å; K432-E434 VanDerWaalsContact C-N 3.33Å; K432-E434 PolarHBondContact O-N 3.26Å; K432-K435 PolarHBondContact O-N 3.41Å; K432-E436 WeakPolarHBondContact CE-OE1 3.42Å; K432-E436 IonicContact NZ-OE1 2.82Å; K432-E436 PolarHBondContact NZ-OE1 3.44Å; K432-E436 WeakPolarHBondContact O-CG 3.35Å; K432-E436 PolarHBondContact O-N 2.87Å |
| 433 | R | 93 | Very high | 91.4 | Very high | 118 Ų | 118 | 111.4 Ų | 111.4 | 45% | 0.445 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 176.3 | -79.9 | -177.6 | -102 | 154.4 | -7.9 | 112.8 | E426 R429 E430 R437 | E426-R433 IonicContact OE1-CZ 3.62Å; E426-R433 IonicContact OE1-NH2 3.53Å; E426-R433 PolarHBondContact OE1-NH2 2.99Å; R429-R433 PolarHBondContact O-N 3.06Å; E430-R433 WeakPolarHBondContact O-CB 3.36Å; E430-R433 PolarHBondContact O-N 2.67Å; R433-R437 WeakPolarHBondContact O-CB 3.5Å; R433-R437 PolarHBondContact O-N 3.02Å |
| 434 | E | 90.8 | Very high | 91.5 | Very high | 100 Ų | 100 | 113.8 Ų | 113.8 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 174.2 | -74.2 | 176.3 | 161.7 | 0 | 0 | 111.4 | E430 K432 R437 E438 | E430-E434 PolarHBondContact O-N 3.17Å; K432-E434 VanDerWaalsContact C-N 3.33Å; K432-E434 PolarHBondContact O-N 3.26Å; E434-R437 WeakPolarHBondContact O-CB 3.11Å; E434-R437 PolarHBondContact O-N 3.18Å; E434-E438 WeakPolarHBondContact O-CG 3.37Å; E434-E438 PolarHBondContact O-N 2.88Å |
| 435 | K | 93 | Very high | 91.5 | Very high | 135 Ų | 135 | 112.6 Ų | 112.6 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.3 | -46.6 | 174.9 | -72.7 | 178.6 | 178.8 | -170.6 | 0 | 112.6 | R431 K432 R437 E438 E439 | R431-K435 WeakPolarHBondContact O-CG 3.47Å; R431-K435 PolarHBondContact O-N 3.06Å; K432-K435 PolarHBondContact O-N 3.41Å; K435-R437 PolarHBondContact O-N 2.91Å; K435-E438 PolarHBondContact O-N 2.94Å; K435-E439 WeakPolarHBondContact O-CG 3.46Å; K435-E439 PolarHBondContact O-N 3.33Å |
| 436 | E | 94.4 | Very high | 91.4 | Very high | 93 Ų | 93 | 116.5 Ų | 116.5 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -38 | 176.3 | -72.5 | 168.9 | -177.8 | 0 | 0 | 111.3 | K432 L440 | K432-E436 WeakPolarHBondContact CE-OE1 3.42Å; K432-E436 IonicContact NZ-OE1 2.82Å; K432-E436 PolarHBondContact NZ-OE1 3.44Å; K432-E436 WeakPolarHBondContact O-CG 3.35Å; K432-E436 PolarHBondContact O-N 2.87Å; E436-L440 WeakPolarHBondContact O-CB 3.36Å; E436-L440 PolarHBondContact O-N 3Å |
| 437 | R | 93.3 | Very high | 91.3 | Very high | 156 Ų | 156 | 118.7 Ų | 118.7 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.5 | -44 | 175.8 | -168.4 | -173.9 | -55.6 | -172.5 | 4.3 | 112.2 | R433 E434 K435 E439 L440 W441 | R433-R437 WeakPolarHBondContact O-CB 3.5Å; R433-R437 PolarHBondContact O-N 3.02Å; E434-R437 WeakPolarHBondContact O-CB 3.11Å; E434-R437 PolarHBondContact O-N 3.18Å; K435-R437 PolarHBondContact O-N 2.91Å; R437-E439 VanDerWaalsContact C-N 3.33Å; R437-L440 PolarHBondContact O-N 3.22Å; R437-W441 PolarHBondContact O-N 2.96Å |
| 438 | E | 93.4 | Very high | 90.9 | Very high | 112 Ų | 112 | 124.2 Ų | 124.2 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.4 | -75.3 | -178.8 | -173.3 | 0 | 0 | 111.9 | E434 K435 W441 K442 | E434-E438 WeakPolarHBondContact O-CG 3.37Å; E434-E438 PolarHBondContact O-N 2.88Å; K435-E438 PolarHBondContact O-N 2.94Å; E438-W441 PolarHBondContact O-N 3.38Å; E438-K442 WeakPolarHBondContact O-CB 3.41Å; E438-K442 WeakPolarHBondContact O-CG 3.5Å; E438-K442 PolarHBondContact O-N 2.97Å |
| 439 | E | 94.5 | Very high | 90.2 | Very high | 112 Ų | 112 | 126 Ų | 126 | 52% | 0.523 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.2 | -41.2 | 175.1 | -73.8 | 174.3 | -169.7 | 0 | 0 | 111.9 | K435 R437 K442 K443 | K435-E439 WeakPolarHBondContact O-CG 3.46Å; K435-E439 PolarHBondContact O-N 3.33Å; R437-E439 VanDerWaalsContact C-N 3.33Å; E439-K442 PolarHBondContact O-N 3.48Å; E439-K443 WeakPolarHBondContact O-CG 3.5Å; E439-K443 PolarHBondContact O-N 3.29Å |
| 440 | L | 93.9 | Very high | 89.3 | Confident | 105 Ų | 105 | 122.8 Ų | 122.8 | 55% | 0.55 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -44.9 | 175.1 | -171.8 | 68.5 | 0 | 0 | 0 | 111.6 | E436 R437 K443 L444 | E436-L440 WeakPolarHBondContact O-CB 3.36Å; E436-L440 PolarHBondContact O-N 3Å; R437-L440 PolarHBondContact O-N 3.22Å; L440-K443 PolarHBondContact O-N 3.29Å; L440-L444 WeakPolarHBondContact O-CG 3.47Å; L440-L444 PolarHBondContact O-N 3.42Å |
| 441 | W | 91.3 | Very high | 87.6 | Confident | 172 Ų | 172 | 120.5 Ų | 120.5 | 65% | 0.652 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -40.7 | 175.6 | -81.9 | 114.2 | 0 | 0 | 0 | 112.6 | R437 E438 K443 L444 E445 | R437-W441 PolarHBondContact O-N 2.96Å; E438-W441 PolarHBondContact O-N 3.38Å; W441-K443 PolarHBondContact O-N 2.92Å; W441-L444 HydrophobicContact CE3-CD1 4.14Å; W441-L444 HydrophobicContact CZ3-CD1 4.39Å; W441-L444 PolarHBondContact O-N 3.37Å; W441-E445 PolarHBondContact O-N 2.99Å |
| 442 | K | 93.2 | Very high | 85.7 | Confident | 128 Ų | 128 | 119.5 Ų | 119.5 | 56% | 0.557 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.9 | -41.5 | 174.8 | -75.6 | 171.2 | -177.7 | 168.8 | 0 | 112 | E438 E439 E445 Q446 | E438-K442 WeakPolarHBondContact O-CB 3.41Å; E438-K442 WeakPolarHBondContact O-CG 3.5Å; E438-K442 PolarHBondContact O-N 2.97Å; E439-K442 PolarHBondContact O-N 3.48Å; K442-E445 PolarHBondContact O-N 3.27Å; K442-Q446 WeakPolarHBondContact O-CB 3.33Å; K442-Q446 VanDerWaalsContact O-CG 3.3Å; K442-Q446 WeakPolarHBondContact O-CG 3.3Å; K442-Q446 PolarHBondContact O-N 3.01Å |
| 443 | K | 91.6 | Very high | 83.2 | Confident | 128 Ų | 128 | 116 Ų | 116 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.4 | -41.1 | 175.1 | -74.6 | 175.4 | -178.6 | 175.2 | 0 | 112 | E439 L440 W441 Q446 L447 | E439-K443 WeakPolarHBondContact O-CG 3.5Å; E439-K443 PolarHBondContact O-N 3.29Å; L440-K443 PolarHBondContact O-N 3.29Å; W441-K443 PolarHBondContact O-N 2.92Å; K443-Q446 PolarHBondContact O-N 3.39Å; K443-L447 WeakPolarHBondContact O-CG 3.37Å; K443-L447 PolarHBondContact O-N 3.29Å |
| 444 | L | 89.8 | Confident | 81 | Confident | 87 Ų | 87 | 118.3 Ų | 118.3 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.3 | -43 | 175.8 | -73.9 | 169.9 | 0 | 0 | 0 | 112.1 | L440 W441 L447 R448 | L440-L444 WeakPolarHBondContact O-CG 3.47Å; L440-L444 PolarHBondContact O-N 3.42Å; W441-L444 HydrophobicContact CE3-CD1 4.14Å; W441-L444 HydrophobicContact CZ3-CD1 4.39Å; W441-L444 PolarHBondContact O-N 3.37Å; L444-L447 PolarHBondContact O-N 2.95Å; L444-R448 PolarHBondContact O-N 2.98Å |
| 445 | E | 88.4 | Confident | 78.6 | Confident | 88 Ų | 88 | 119.8 Ų | 119.8 | 41% | 0.411 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.2 | -37.7 | 177.4 | -164.7 | 61.7 | -153.9 | 0 | 0 | 111.6 | W441 K442 R448 M449 | W441-E445 PolarHBondContact O-N 2.99Å; K442-E445 PolarHBondContact O-N 3.27Å; E445-R448 WeakPolarHBondContact O-CB 3.26Å; E445-R448 PolarHBondContact O-N 3.4Å; E445-R448 IonicContact OE1-NH1 2.81Å; E445-R448 IonicContact OE2-NH1 3.73Å; E445-M449 VanDerWaalsContact O-CG 3.26Å; E445-M449 WeakPolarHBondContact O-CG 3.48Å; E445-M449 PolarHBondContact O-N 2.96Å |
| 446 | Q | 89.4 | Confident | 76.1 | Confident | 131 Ų | 131 | 119.6 Ų | 119.6 | 61% | 0.612 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.7 | -46.4 | 172.8 | -75.7 | 173.4 | -1.8 | 0 | 0 | 111.8 | K442 K443 R448 M449 S450 | K442-Q446 WeakPolarHBondContact O-CB 3.33Å; K442-Q446 VanDerWaalsContact O-CG 3.3Å; K442-Q446 WeakPolarHBondContact O-CG 3.3Å; K442-Q446 PolarHBondContact O-N 3.01Å; K443-Q446 PolarHBondContact O-N 3.39Å; Q446-R448 VanDerWaalsContact C-N 3.27Å; Q446-R448 PolarHBondContact O-N 3.03Å; Q446-M449 PolarHBondContact O-N 3.29Å; Q446-S450 WeakPolarHBondContact O-CB 3.4Å; Q446-S450 PolarHBondContact O-N 3.37Å; Q446-S450 PolarHBondContact O-OG 3.25Å |
| 447 | L | 86.9 | Confident | 73.4 | Confident | 121 Ų | 121 | 118.2 Ų | 118.2 | 63% | 0.634 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.2 | -35.8 | 177.1 | -74 | 169.5 | 0 | 0 | 0 | 112.5 | K443 L444 S450 | K443-L447 WeakPolarHBondContact O-CG 3.37Å; K443-L447 PolarHBondContact O-N 3.29Å; L444-L447 PolarHBondContact O-N 2.95Å; L447-S450 WeakPolarHBondContact CA-OG 3.41Å; L447-S450 PolarHBondContact O-OG 2.97Å |
| 448 | R | 79.2 | Confident | 70.7 | Confident | 185 Ų | 185 | 117 Ų | 117 | 70% | 0.698 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.6 | -42.6 | 174.6 | -175.8 | -173.3 | 179.8 | -164.1 | 1.7 | 112.2 | L444 E445 Q446 G451 | L444-R448 PolarHBondContact O-N 2.98Å; E445-R448 WeakPolarHBondContact O-CB 3.26Å; E445-R448 PolarHBondContact O-N 3.4Å; E445-R448 IonicContact OE1-NH1 2.81Å; E445-R448 IonicContact OE2-NH1 3.73Å; Q446-R448 VanDerWaalsContact C-N 3.27Å; Q446-R448 PolarHBondContact O-N 3.03Å; R448-G451 PolarHBondContact O-N 2.84Å |
| 449 | M | 75.4 | Confident | 68.3 | Low | 153 Ų | 153 | 117.5 Ų | 117.5 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -75.1 | -30.1 | -179.6 | -66.7 | -67.1 | -84.6 | 0 | 0 | 112.6 | E445 Q446 G451 | E445-M449 VanDerWaalsContact O-CG 3.26Å; E445-M449 WeakPolarHBondContact O-CG 3.48Å; E445-M449 PolarHBondContact O-N 2.96Å; Q446-M449 PolarHBondContact O-N 3.29Å; M449-G451 PolarHBondContact O-N 3.2Å |
| 450 | S | 73 | Confident | 65.7 | Low | 76 Ų | 76 | 119.3 Ų | 119.3 | 53% | 0.531 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | 17.1 | 172.1 | 64.2 | 0 | 0 | 0 | 0 | 113 | Q446 L447 S452 | Q446-S450 WeakPolarHBondContact O-CB 3.4Å; Q446-S450 PolarHBondContact O-N 3.37Å; Q446-S450 PolarHBondContact O-OG 3.25Å; L447-S450 WeakPolarHBondContact CA-OG 3.41Å; L447-S450 PolarHBondContact O-OG 2.97Å; S450-S452 VanDerWaalsContact C-N 3.34Å; S450-S452 PolarHBondContact O-N 3.34Å |
| 451 | G | 53.4 | Low | 63 | Low | 57 Ų | 57 | 122.3 Ų | 122.3 | 59% | 0.588 | 69% | 0.686 | S | S | * | * | trans | -58.7 | 88 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R448 M449 G453 | R448-G451 PolarHBondContact O-N 2.84Å; M449-G451 PolarHBondContact O-N 3.2Å; G451-G453 PolarHBondContact O-N 3.27Å | ||
| 452 | S | 47.6 | Very low | 60.6 | Low | 120 Ų | 120 | 121.1 Ų | 121.1 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | trans | -60.4 | 105.4 | 138.3 | -59.3 | 0 | 0 | 0 | 0 | 106.6 | S450 | S450-S452 VanDerWaalsContact C-N 3.34Å; S450-S452 PolarHBondContact O-N 3.34Å | ||
| 453 | G | 42.6 | Very low | 57.9 | Low | 59 Ų | 59 | 119.9 Ų | 119.9 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -57.2 | 133.6 | 163 | 0 | 0 | 0 | 0 | 0 | 109.4 | G451 | G451-G453 PolarHBondContact O-N 3.27Š| ||
| 454 | D | 46.6 | Very low | 55.3 | Low | 166 Ų | 166 | 123.1 Ų | 123.1 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | trans | -173.2 | 102.1 | 143 | -87.7 | -22.5 | 0 | 0 | 0 | 108.7 | ||||
| 455 | T | 39 | Very low | 52.7 | Low | 132 Ų | 132 | 125.6 Ų | 125.6 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | -67.2 | 164.2 | 152.3 | 45.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 456 | P | 42.2 | Very low | 50 | Low | 131 Ų | 131 | 128 Ų | 128 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | cis | -136.4 | 173.1 | -12.1 | 35.2 | -15.4 | 0 | 0 | 0 | 114 | ||||
| 457 | G | 36.3 | Very low | 47.4 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | 144.5 | 122.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 458 | P | 37.2 | Very low | 44.8 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | trans | -85.1 | 133.3 | -180 | 33.9 | -29 | 0 | 0 | 0 | 110.3 | ||||
| 459 | P | 43.6 | Very low | 42.6 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -101.6 | 119.2 | 166.2 | 28.5 | -15.8 | 0 | 0 | 0 | 111.2 | ||||
| 460 | N | 38.3 | Very low | 40.4 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 20.6 | 115.1 | 154 | -88.8 | -18.6 | 0 | 0 | 0 | 119.3 | D462 | N460-D462 PolarHBondContact O-N 3.36Š| ||
| 461 | I | 37.6 | Very low | 38.4 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 100.1 | 157.9 | -61.6 | 171.5 | 0 | 0 | 0 | 107.2 | ||||
| 462 | D | 42.2 | Very low | 37.2 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | -71.6 | 130 | 167.2 | -97.1 | -33.5 | 0 | 0 | 0 | 110.6 | N460 K464 | N460-D462 PolarHBondContact O-N 3.36Å; D462-K464 PolarHBondContact O-N 2.77Å | ||
| 463 | S | 35.2 | Very low | 36.4 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -82.5 | 104.4 | -172.1 | 46.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 464 | K | 37.2 | Very low | 35.8 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -163.9 | 130.6 | 154.8 | -103 | 150 | -169.8 | -176.3 | 0 | 108.2 | D462 | D462-K464 PolarHBondContact O-N 2.77Š| ||
| 465 | T | 34.8 | Very low | 35 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 76.4 | 73.5 | -175.6 | 65.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 466 | S | 31.6 | Very low | 34.6 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 97% | 0.965 | 80% | 0.804 | S | S | * | * | trans | -119 | 87.5 | 149.7 | -96.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 467 | S | 34.5 | Very low | 33.9 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -120.7 | 116.1 | 160.1 | 53.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 468 | A | 32.9 | Very low | 33.7 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 80 | 123.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 469 | I | 32.5 | Very low | 33.5 | Very low | 164 Ų | 164 | 143 Ų | 143 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | 95.3 | 77.3 | 157.6 | -44.9 | 156.9 | 0 | 0 | 0 | 116.1 | ||||
| 470 | T | 29.9 | Very low | 32.7 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -156.2 | 118.6 | 139.6 | 35.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 471 | N | 30.5 | Very low | 32.4 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | 175.1 | 94.6 | 135.9 | -88 | -13 | 0 | 0 | 0 | 108.3 | ||||
| 472 | N | 29.5 | Very low | 32.2 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | 172.9 | 86 | 138.5 | -86.8 | -14.8 | 0 | 0 | 0 | 110.5 | ||||
| 473 | A | 29.3 | Very low | 31.6 | Very low | 79 Ų | 79 | 140.1 Ų | 140.1 | 65% | 0.653 | 81% | 0.807 | S | S | * | * | trans | -154.8 | 136.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 474 | F | 30.3 | Very low | 31.6 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | trans | 76.3 | 122.5 | 179 | -55.3 | -82.6 | 0 | 0 | 0 | 113.1 | ||||
| 475 | T | 30.4 | Very low | 31.4 | Very low | 120 Ų | 120 | 138 Ų | 138 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | cis | -169.9 | 163.7 | 44.8 | 33.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 476 | N | 31.1 | Very low | 31.5 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 93.4 | 82.3 | 160.2 | -62.3 | -14.3 | 0 | 0 | 0 | 118.6 | H478 | N476-H478 PolarHBondContact O-N 3.22Š| ||
| 477 | V | 28 | Very low | 31.8 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | trans | -72.2 | 100.7 | 144.9 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 478 | H | 32 | Very low | 31.6 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | -159 | 127.2 | 155.8 | -110.7 | -79.6 | 0 | 0 | 0 | 110.4 | N476 | N476-H478 PolarHBondContact O-N 3.22Š| ||
| 479 | Q | 32.2 | Very low | 31.5 | Very low | 177 Ų | 177 | 155.6 Ų | 155.6 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | trans | 69.3 | 95.2 | 154 | -69.6 | 170.3 | -11.5 | 0 | 0 | 119 | ||||
| 480 | L | 27.3 | Very low | 31.5 | Very low | 190 Ų | 190 | 155.2 Ų | 155.2 | 100% | 0.995 | 83% | 0.827 | S | S | * | * | trans | -82.6 | 116.1 | 149.3 | -83.1 | 160.7 | 0 | 0 | 0 | 108.6 | ||||
| 481 | G | 31.2 | Very low | 31.6 | Very low | 64 Ų | 64 | 156.8 Ų | 156.8 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | trans | -175.3 | 94.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 482 | V | 32.8 | Very low | 31.7 | Very low | 129 Ų | 129 | 157.1 Ų | 157.1 | 78% | 0.782 | 83% | 0.831 | S | S | * | * | trans | 81.7 | 116.3 | 138.6 | -169.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 483 | N | 31.3 | Very low | 31.8 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 78% | 0.775 | 83% | 0.826 | S | S | * | * | trans | 49.8 | 133.5 | 144.7 | -63.4 | -25.3 | 0 | 0 | 0 | 122.1 | ||||
| 484 | V | 35.5 | Very low | 32 | Very low | 132 Ų | 132 | 161.7 Ų | 161.7 | 80% | 0.8 | 84% | 0.838 | S | S | * | * | 176.3 | 138.6 | 86.5 | 167 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 485 | T | 32.2 | Very low | 32.1 | Very low | 120 Ų | 120 | 158.8 Ų | 158.8 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | trans | -39.9 | 145.1 | 169.1 | 41.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 486 | K | 35.9 | Very low | 32.3 | Very low | 208 Ų | 208 | 162.1 Ų | 162.1 | 90% | 0.904 | 84% | 0.844 | S | S | * | * | 178.2 | 101.6 | 124.3 | -100.7 | 177.9 | -178.3 | 179.9 | 0 | 112.6 | |||||
| 487 | R | 37.7 | Very low | 32.4 | Very low | 327 Ų | 327 | 163.3 Ų | 163.3 | 100% | 1.234 | 85% | 0.848 | S | S | * | * | -166.6 | 0 | 121.8 | -109.7 | -174.3 | -174.7 | -171.9 | 2.5 | 109.2 |
Retrieved 487 of 487 residues in 1739.7 ms
(Link to these results)