| 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 | F | 23.6 | Very low | 28.7 | Very low | 264 Ų | 264 | 113.2 Ų | 113.2 | 100% | 1.158 | 53% | 0.534 | S | S | * | . | 0 | 106.5 | 0 | -80.4 | -99.4 | 0 | 0 | 0 | 107.6 | |||||
| 2 | C | 24 | Very low | 28.7 | Very low | 49 Ų | 49 | 117.8 Ų | 117.8 | 33% | 0.331 | 54% | 0.542 | S | S | . | . | cis | -157.3 | 96.8 | 11.1 | -147.7 | 0 | 0 | 0 | 0 | 111.1 | N5 | C2-N5 HydrophobicContact CB-CB 3.82Å; C2-N5 VanDerWaalsContact SG-CB 3.55Å; C2-N5 PolarHBondContact SG-N 2.92Å; C2-N5 VanDerWaalsContact SG-N 3.36Å; C2-N5 PolarHBondContact SG-ND2 3.07Å | ||
| 3 | S | 25.8 | Very low | 29 | Very low | 95 Ų | 95 | 113.8 Ų | 113.8 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73 | -18.8 | 162.6 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 4 | H | 25.8 | Very low | 29.2 | Very low | 155 Ų | 155 | 117.7 Ų | 117.7 | 72% | 0.718 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -75.8 | -31.5 | 177.9 | -124.9 | 64.6 | 0 | 0 | 0 | 113.3 | E8 | H4-E8 PolarHBondContact O-N 3.19Å |
| 5 | N | 30.3 | Very low | 29.3 | Very low | 95 Ų | 95 | 115.1 Ų | 115.1 | 51% | 0.508 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -74.6 | -32.5 | -175.8 | -85.7 | -11.8 | 0 | 0 | 0 | 114.6 | C2 E8 Y9 | C2-N5 HydrophobicContact CB-CB 3.82Å; C2-N5 VanDerWaalsContact SG-CB 3.55Å; C2-N5 PolarHBondContact SG-N 2.92Å; C2-N5 VanDerWaalsContact SG-N 3.36Å; C2-N5 PolarHBondContact SG-ND2 3.07Å; N5-E8 PolarHBondContact O-N 3.47Å; N5-Y9 WeakPolarHBondContact O-CB 3.18Å; N5-Y9 PolarHBondContact O-N 3.48Å |
| 6 | L | 29.7 | Very low | 29.7 | Very low | 35 Ų | 35 | 123.5 Ų | 123.5 | 18% | 0.183 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -71.7 | -39.3 | 178.8 | -89.1 | 157.3 | 0 | 0 | 0 | 111.8 | Y9 F10 V96 H180 | L6-Y9 PolarHBondContact O-N 3.06Å; L6-F10 HydrophobicContact CD2-CE2 3.85Å; L6-F10 HydrophobicContact CD2-CZ 4.43Å; L6-F10 WeakPolarHBondContact O-CD2 3.36Å; L6-F10 PolarHBondContact O-N 3.21Å; L6-F10 VanDerWaalsContact O-N 3.07Å; L6-V96 HydrophobicContact CD2-CG1 4.46Å; L6-H180 WeakPolarHBondContact CD1-ND1 3.44Å |
| 7 | K | 30.4 | Very low | 29.6 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 68% | 0.683 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64 | -41.9 | 172.1 | -75.2 | -174.2 | 179 | -179.9 | 0 | 111.1 | Y11 | K7-Y11 WeakPolarHBondContact O-CB 3.46Å; K7-Y11 PolarHBondContact O-N 3.44Å |
| 8 | E | 31.6 | Very low | 29.7 | Very low | 82 Ų | 82 | 119.9 Ų | 119.9 | 38% | 0.383 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.1 | -37.9 | 174.1 | -107.3 | -153.9 | 122.4 | 0 | 0 | 113.1 | H4 N5 Y11 R12 | H4-E8 PolarHBondContact O-N 3.19Å; N5-E8 PolarHBondContact O-N 3.47Å; E8-Y11 PolarHBondContact O-N 3.32Å; E8-R12 WeakPolarHBondContact O-CB 3.36Å; E8-R12 WeakPolarHBondContact O-CG 3.35Å; E8-R12 PolarHBondContact O-N 2.83Å; E8-R12 IonicContact OE1-CZ 3.81Å; E8-R12 IonicContact OE1-NE 2.79Å; E8-R12 PolarHBondContact OE1-NE 3.45Å; E8-R12 IonicContact OE1-NH2 3.59Å; E8-R12 PolarHBondContact OE1-NH2 2.91Å; E8-R12 IonicContact OE2-NH2 2.75Å |
| 9 | Y | 31.5 | Very low | 29.8 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 45% | 0.451 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.9 | -47.6 | 177.2 | -172.3 | -94.5 | 0 | 0 | 0 | 111.6 | N5 L6 S13 H90 | N5-Y9 WeakPolarHBondContact O-CB 3.18Å; N5-Y9 PolarHBondContact O-N 3.48Å; L6-Y9 PolarHBondContact O-N 3.06Å; Y9-S13 PolarHBondContact O-N 2.95Å; Y9-S13 VanDerWaalsContact O-N 3.14Å; Y9-H90 PolarHBondContact OH-NE2 2.87Å |
| 10 | F | 33.4 | Very low | 30.1 | Very low | 29 Ų | 29 | 121.8 Ų | 121.8 | 13% | 0.127 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -74.6 | -21.6 | 176 | -66 | -56.2 | 0 | 0 | 0 | 113.8 | L6 S13 W187 | L6-F10 HydrophobicContact CD2-CE2 3.85Å; L6-F10 HydrophobicContact CD2-CZ 4.43Å; L6-F10 WeakPolarHBondContact O-CD2 3.36Å; L6-F10 PolarHBondContact O-N 3.21Å; L6-F10 VanDerWaalsContact O-N 3.07Å; F10-S13 PolarHBondContact O-OG 3.25Å; F10-W187 HydrophobicContact CB-CG 4.47Å; F10-W187 HydrophobicContact CD1-CB 4.15Å; F10-W187 AromaticContact CD1-CD1 3.2Å; F10-W187 AromaticContact CD1-CD2 3.73Å; F10-W187 HydrophobicContact CD1-CD2 3.73Å; F10-W187 AromaticContact CD1-CE2 3.72Å; F10-W187 AromaticContact CD1-CG 3.42Å; F10-W187 HydrophobicContact CD1-CG 3.42Å; F10-W187 VanDerWaalsContact CD1-CG 3.42Å; F10-W187 AromaticContact CD1-NE1 3.35Å; F10-W187 VanDerWaalsContact CD1-NE1 3.35Å; F10-W187 HydrophobicContact CE1-CB 4.21Å; F10-W187 AromaticContact CE1-CD1 3.91Å; F10-W187 AromaticContact CE1-CD2 3.64Å; F10-W187 HydrophobicContact CE1-CD2 3.64Å; F10-W187 AromaticContact CE1-CE2 3.92Å; F10-W187 HydrophobicContact CE1-CE3 4.14Å; F10-W187 AromaticContact CE1-CG 3.65Å; F10-W187 HydrophobicContact CE1-CG 3.65Å; F10-W187 HydrophobicContact CG-CB 4.31Å; F10-W187 AromaticContact CG-CD1 3.61Å; F10-W187 AromaticContact CG-CG 3.94Å; F10-W187 HydrophobicContact CG-CG 3.94Å; F10-W187 HydrophobicContact CZ-CB 4.47Å; F10-W187 HydrophobicContact CZ-CG 4.36Å |
| 11 | Y | 29.8 | Very low | 30.1 | Very low | 169 Ų | 169 | 124 Ų | 124 | 66% | 0.663 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -81.1 | -37.3 | 174.9 | -156.1 | -88.6 | 0 | 0 | 0 | 111.7 | K7 E8 S13 K14 | K7-Y11 WeakPolarHBondContact O-CB 3.46Å; K7-Y11 PolarHBondContact O-N 3.44Å; E8-Y11 PolarHBondContact O-N 3.32Å; Y11-S13 VanDerWaalsContact C-N 3.34Å; Y11-K14 WeakPolarHBondContact O-CB 3.47Å; Y11-K14 PolarHBondContact O-N 3.43Å |
| 12 | R | 28.4 | Very low | 30.8 | Very low | 168 Ų | 168 | 115.7 Ų | 115.7 | 63% | 0.634 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.6 | -29.5 | 172.7 | -73.8 | -177.6 | -173.5 | -163.4 | 4.3 | 112.2 | E8 K14 S15 | E8-R12 WeakPolarHBondContact O-CB 3.36Å; E8-R12 WeakPolarHBondContact O-CG 3.35Å; E8-R12 PolarHBondContact O-N 2.83Å; E8-R12 IonicContact OE1-CZ 3.81Å; E8-R12 IonicContact OE1-NE 2.79Å; E8-R12 PolarHBondContact OE1-NE 3.45Å; E8-R12 IonicContact OE1-NH2 3.59Å; E8-R12 PolarHBondContact OE1-NH2 2.91Å; E8-R12 IonicContact OE2-NH2 2.75Å; R12-K14 PolarHBondContact O-N 2.91Å; R12-K14 VanDerWaalsContact O-N 3.16Å; R12-S15 PolarHBondContact O-N 3.24Å; R12-S15 PolarHBondContact O-OG 3.15Å |
| 13 | S | 32.1 | Very low | 31.4 | Very low | 66 Ų | 66 | 118.2 Ų | 118.2 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.3 | -8.8 | 172.9 | 87.3 | 0 | 0 | 0 | 0 | 114.1 | Y9 F10 Y11 S15 | Y9-S13 PolarHBondContact O-N 2.95Å; Y9-S13 VanDerWaalsContact O-N 3.14Å; F10-S13 PolarHBondContact O-OG 3.25Å; Y11-S13 VanDerWaalsContact C-N 3.34Å; S13-S15 VanDerWaalsContact C-N 3.3Å |
| 14 | K | 32.9 | Very low | 31.4 | Very low | 169 Ų | 169 | 117.1 Ų | 117.1 | 74% | 0.735 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -15.6 | 169.6 | -69.9 | -177.8 | 173.5 | 179.9 | 0 | 113.1 | Y11 R12 | Y11-K14 WeakPolarHBondContact O-CB 3.47Å; Y11-K14 PolarHBondContact O-N 3.43Å; R12-K14 PolarHBondContact O-N 2.91Å; R12-K14 VanDerWaalsContact O-N 3.16Å |
| 15 | S | 30.8 | Very low | 31.6 | Very low | 78 Ų | 78 | 115.5 Ų | 115.5 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -97.6 | 101.5 | 179.4 | -6.7 | 0 | 0 | 0 | 0 | 110.3 | R12 S13 T17 | R12-S15 PolarHBondContact O-N 3.24Å; R12-S15 PolarHBondContact O-OG 3.15Å; S13-S15 VanDerWaalsContact C-N 3.3Å; S15-T17 PolarHBondContact O-N 2.74Å; S15-T17 VanDerWaalsContact O-N 3.07Å |
| 16 | R | 35.6 | Very low | 31.6 | Very low | 250 Ų | 250 | 119.6 Ų | 119.6 | 94% | 0.943 | 59% | 0.593 | S | S | * | * | trans | 21.6 | 75 | 158.6 | -68.1 | -178.8 | 174.9 | -179.9 | -1.7 | 115.9 | ||||
| 17 | T | 28.3 | Very low | 31.6 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 58% | 0.577 | 62% | 0.622 | S | S | * | * | trans | -127.1 | 114.5 | 152.1 | -39.5 | 0 | 0 | 0 | 0 | 107 | S15 L19 | S15-T17 PolarHBondContact O-N 2.74Å; S15-T17 VanDerWaalsContact O-N 3.07Å; T17-L19 PolarHBondContact O-N 2.95Å; T17-L19 VanDerWaalsContact O-N 3.17Å | ||
| 18 | P | 29.8 | Very low | 31.8 | Very low | 88 Ų | 88 | 118.6 Ų | 118.6 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | trans | -62.1 | 120.3 | 174.3 | -16 | 28.7 | 0 | 0 | 0 | 108.4 | K20 Q21 | P18-K20 HydrophobicContact CB-CB 4.42Å; P18-K20 PolarHBondContact O-N 2.94Å; P18-Q21 PolarHBondContact O-N 2.86Å | ||
| 19 | L | 32.9 | Very low | 31.8 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 45% | 0.445 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -54.1 | -12.7 | 175 | -76.5 | 161 | 0 | 0 | 0 | 113.3 | T17 Q21 V22 F23 | T17-L19 PolarHBondContact O-N 2.95Å; T17-L19 VanDerWaalsContact O-N 3.17Å; L19-Q21 PolarHBondContact O-N 3.21Å; L19-Q21 VanDerWaalsContact O-N 3.13Å; L19-V22 PolarHBondContact O-N 3.35Å; L19-F23 HydrophobicContact CB-CD2 4.06Å; L19-F23 HydrophobicContact CB-CE2 3.9Å; L19-F23 HydrophobicContact CD2-CD2 4.49Å; L19-F23 HydrophobicContact CD2-CE2 3.66Å; L19-F23 HydrophobicContact CD2-CZ 4.31Å; L19-F23 HydrophobicContact CG-CE2 4.24Å; L19-F23 WeakPolarHBondContact O-CD2 3.37Å; L19-F23 PolarHBondContact O-N 2.86Å |
| 20 | K | 34.4 | Very low | 31.8 | Very low | 193 Ų | 193 | 120.8 Ų | 120.8 | 84% | 0.839 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -54.2 | -22.6 | 168.2 | -78.1 | -169.8 | 174.3 | -173.1 | 0 | 114.7 | P18 | P18-K20 HydrophobicContact CB-CB 4.42Å; P18-K20 PolarHBondContact O-N 2.94Å |
| 21 | Q | 31.3 | Very low | 32 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -94.3 | -16.3 | -179 | -114.3 | 176.5 | -5.3 | 0 | 0 | 114.1 | P18 L19 | P18-Q21 PolarHBondContact O-N 2.86Å; L19-Q21 PolarHBondContact O-N 3.21Å; L19-Q21 VanDerWaalsContact O-N 3.13Å |
| 22 | V | 37 | Very low | 32.6 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 54% | 0.539 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | -29.7 | 179.4 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | L19 | L19-V22 PolarHBondContact O-N 3.35Š|
| 23 | F | 37.3 | Very low | 33.1 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 45% | 0.447 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -97.3 | 108.6 | 176.1 | -56.9 | -64 | 0 | 0 | 0 | 109.5 | L19 S25 | L19-F23 HydrophobicContact CB-CD2 4.06Å; L19-F23 HydrophobicContact CB-CE2 3.9Å; L19-F23 HydrophobicContact CD2-CD2 4.49Å; L19-F23 HydrophobicContact CD2-CE2 3.66Å; L19-F23 HydrophobicContact CD2-CZ 4.31Å; L19-F23 HydrophobicContact CG-CE2 4.24Å; L19-F23 WeakPolarHBondContact O-CD2 3.37Å; L19-F23 PolarHBondContact O-N 2.86Å; F23-S25 PolarHBondContact O-N 2.83Å |
| 24 | G | 26.1 | Very low | 33.5 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 66% | 0.664 | S | S | * | * | trans | -49.1 | 130.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q26 | G24-Q26 PolarHBondContact O-N 2.89Š| ||
| 25 | S | 30.9 | Very low | 34.3 | Very low | 120 Ų | 120 | 116 Ų | 116 | 84% | 0.839 | 64% | 0.635 | S | S | * | * | trans | -62.4 | 95.3 | 174.7 | 51.2 | 0 | 0 | 0 | 0 | 110 | F23 | F23-S25 PolarHBondContact O-N 2.83Š| ||
| 26 | Q | 29.9 | Very low | 35.5 | Very low | 182 Ų | 182 | 115.6 Ų | 115.6 | 85% | 0.85 | 63% | 0.629 | S | S | * | * | trans | -82.5 | 122.2 | 148.9 | -75.3 | -172.4 | -22.7 | 0 | 0 | 106.7 | G24 V28 | G24-Q26 PolarHBondContact O-N 2.89Å; Q26-V28 PolarHBondContact O-N 2.92Å; Q26-V28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | G | 29.6 | Very low | 37.4 | Very low | 77 Ų | 77 | 107 Ų | 107 | 79% | 0.794 | 61% | 0.611 | S | S | * | * | trans | -53.9 | 116.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S29 | G27-S29 PolarHBondContact O-N 3.29Š| ||
| 28 | V | 34.2 | Very low | 40.2 | Very low | 94 Ų | 94 | 104.7 Ų | 104.7 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | trans | -64.1 | 111.9 | 164 | 177.3 | 0 | 0 | 0 | 0 | 105.8 | Q26 E32 V33 | Q26-V28 PolarHBondContact O-N 2.92Å; Q26-V28 VanDerWaalsContact O-N 3.1Å; V28-E32 HydrophobicContact CG1-CB 3.75Å; V28-V33 HydrophobicContact CG1-CG2 3.85Å | ||
| 29 | S | 32.5 | Very low | 43.1 | Very low | 64 Ų | 64 | 102.7 Ų | 102.7 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | trans | -57.2 | 142 | 174.6 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | G27 E31 E32 | G27-S29 PolarHBondContact O-N 3.29Å; S29-E31 PolarHBondContact O-N 3.4Å; S29-E32 PolarHBondContact O-N 2.93Å | ||
| 30 | E | 31.1 | Very low | 45.7 | Very low | 179 Ų | 179 | 103.3 Ų | 103.3 | 84% | 0.836 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -56.4 | -21.6 | -177.8 | -73.3 | 178.5 | 149.6 | 0 | 0 | 113.2 | V33 | E30-V33 PolarHBondContact O-N 2.93Å |
| 31 | E | 37.9 | Very low | 48.4 | Very low | 163 Ų | 163 | 95.5 Ų | 95.5 | 76% | 0.762 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.2 | -30.3 | 174.1 | -69 | -173.7 | 161.8 | 0 | 0 | 113.9 | S29 V33 | S29-E31 PolarHBondContact O-N 3.4Å; E31-V33 VanDerWaalsContact C-N 3.26Å; E31-V33 PolarHBondContact O-N 3.29Å |
| 32 | E | 41.3 | Very low | 51.3 | Low | 85 Ų | 85 | 88.7 Ų | 88.7 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.3 | -22.5 | 177.5 | -78 | -168.7 | 132.1 | 0 | 0 | 112.7 | V28 S29 T36 | V28-E32 HydrophobicContact CG1-CB 3.75Å; S29-E32 PolarHBondContact O-N 2.93Å; E32-T36 VanDerWaalsContact O-CG2 3.3Å; E32-T36 WeakPolarHBondContact O-CG2 3.33Å |
| 33 | V | 39.7 | Very low | 54 | Low | 96 Ų | 96 | 86.8 Ų | 86.8 | 58% | 0.582 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -84.2 | -30.4 | -177.1 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | V28 E30 E31 T36 | V28-V33 HydrophobicContact CG1-CG2 3.85Å; E30-V33 PolarHBondContact O-N 2.93Å; E31-V33 VanDerWaalsContact C-N 3.26Å; E31-V33 PolarHBondContact O-N 3.29Å; V33-T36 PolarHBondContact O-OG1 2.71Å |
| 34 | Q | 39.8 | Very low | 56.6 | Low | 145 Ų | 145 | 87.5 Ų | 87.5 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -83 | -23.2 | 178.1 | -78.5 | -179.6 | -11.6 | 0 | 0 | 113.6 | T36 | Q34-T36 VanDerWaalsContact C-N 3.32Å; Q34-T36 PolarHBondContact O-N 2.95Å |
| 35 | G | 49.8 | Very low | 59.7 | Low | 12 Ų | 12 | 85 Ų | 85 | 12% | 0.124 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 36 | T | 56.7 | Low | 62.6 | Low | 69 Ų | 69 | 79.3 Ų | 79.3 | 42% | 0.423 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -13.6 | -170.5 | 48.4 | 0 | 0 | 0 | 0 | 115.7 | E32 V33 Q34 | E32-T36 VanDerWaalsContact O-CG2 3.3Å; E32-T36 WeakPolarHBondContact O-CG2 3.33Å; V33-T36 PolarHBondContact O-OG1 2.71Å; Q34-T36 VanDerWaalsContact C-N 3.32Å; Q34-T36 PolarHBondContact O-N 2.95Å |
| 37 | A | 75.5 | Confident | 65.5 | Low | 68 Ų | 68 | 78.6 Ų | 78.6 | 56% | 0.562 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -100.6 | 117.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R132 | A37-R132 PolarHBondContact O-NH2 2.63Š|
| 38 | L | 87.6 | Confident | 68.3 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 25% | 0.246 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -101.6 | 148.4 | 169.3 | -68.1 | 178.2 | 0 | 0 | 0 | 110.2 | W64 V67 Q68 L71 W120 L128 | L38-W64 HydrophobicContact CB-CH2 4.3Å; L38-W64 HydrophobicContact CB-CZ2 4.44Å; L38-W64 HydrophobicContact CD2-CH2 4.32Å; L38-V67 HydrophobicContact CD1-CG1 4.49Å; L38-V67 HydrophobicContact CD2-CG1 4.28Å; L38-Q68 HydrophobicContact CD1-CB 4.45Å; L38-L71 HydrophobicContact CD1-CB 3.89Å; L38-L71 HydrophobicContact CD1-CD2 3.47Å; L38-L71 VanDerWaalsContact CD1-CD2 3.47Å; L38-L71 HydrophobicContact CD1-CG 4.31Å; L38-L71 HydrophobicContact CD2-CD2 4.28Å; L38-L71 HydrophobicContact CG-CD2 3.47Å; L38-L71 VanDerWaalsContact CG-CD2 3.47Å; L38-W120 HydrophobicContact CD1-CH2 4.4Å; L38-W120 HydrophobicContact CD2-CH2 4.14Å; L38-W120 HydrophobicContact CD2-CZ2 4.49Å; L38-L128 HydrophobicContact CD2-CD2 3.45Å; L38-L128 VanDerWaalsContact CD2-CD2 3.45Å |
| 39 | E | 90.6 | Very high | 70.8 | Confident | 45 Ų | 45 | 74.9 Ų | 74.9 | 21% | 0.21 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 159.8 | 168.9 | -64.7 | 77.9 | -175.5 | 0 | 0 | 110.5 | S41 E44 L45 W64 R132 | E39-S41 VanDerWaalsContact C-N 3.3Å; E39-E44 HydrophobicContact CB-CB 4.4Å; E39-L45 HydrophobicContact CB-CG 4.37Å; E39-L45 VanDerWaalsContact CD-CD2 3.49Å; E39-L45 HydrophobicContact CG-CD1 4.3Å; E39-L45 HydrophobicContact CG-CD2 3.72Å; E39-L45 HydrophobicContact CG-CG 3.89Å; E39-L45 WeakPolarHBondContact OE1-CD2 3.22Å; E39-W64 HydrophobicContact CB-CH2 4.13Å; E39-W64 HydrophobicContact CB-CZ2 4.43Å; E39-W64 VanDerWaalsContact O-CZ2 3.26Å; E39-W64 WeakPolarHBondContact O-CZ2 3.46Å; E39-R132 VanDerWaalsContact CD-NH2 3.31Å; E39-R132 IonicContact OE1-CZ 2.82Å; E39-R132 VanDerWaalsContact OE1-CZ 3.29Å; E39-R132 IonicContact OE1-NE 3.62Å; E39-R132 PolarHBondContact OE1-NE 3.27Å; E39-R132 IonicContact OE1-NH2 2.85Å; E39-R132 PolarHBondContact OE1-NH2 2.92Å; E39-R132 IonicContact OE2-CZ 2.83Å; E39-R132 IonicContact OE2-NE 3.19Å; E39-R132 PolarHBondContact OE2-NE 3.08Å; E39-R132 IonicContact OE2-NH2 2.63Å; E39-R132 PolarHBondContact OE2-NH2 3.49Å |
| 40 | S | 86.9 | Confident | 73.5 | Confident | 98 Ų | 98 | 76.5 Ų | 76.5 | 69% | 0.685 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -75.9 | -25 | -179 | 86.1 | 0 | 0 | 0 | 0 | 112.4 | E44 | S40-E44 WeakPolarHBondContact CB-OE1 3.44Å; S40-E44 PolarHBondContact N-OE1 3.1Å; S40-E44 PolarHBondContact OG-OE1 2.79Å |
| 41 | S | 91 | Very high | 76.2 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 21% | 0.21 | 40% | 0.404 | C | S | . | . | trans | -154.1 | 147.6 | -179 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | E39 T43 E44 | E39-S41 VanDerWaalsContact C-N 3.3Å; S41-T43 WeakPolarHBondContact CB-OG1 3.42Å; S41-T43 PolarHBondContact O-N 2.6Å; S41-T43 VanDerWaalsContact O-N 3.07Å; S41-T43 PolarHBondContact OG-N 2.8Å; S41-T43 PolarHBondContact OG-OG1 2.86Å; S41-E44 WeakPolarHBondContact O-CB 3.47Å; S41-E44 PolarHBondContact O-N 3.16Å; S41-E44 VanDerWaalsContact O-N 3.08Å | ||
| 42 | W | 92.4 | Very high | 78.8 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 10% | 0.095 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -57.3 | -21.8 | 171.3 | 66.5 | -90.5 | 0 | 0 | 0 | 113.7 | E44 L45 V46 H49 R57 Q60 W64 F138 | W42-E44 PolarHBondContact O-N 3.27Å; W42-L45 WeakPolarHBondContact O-CB 3.37Å; W42-L45 PolarHBondContact O-N 2.86Å; W42-L45 VanDerWaalsContact O-N 3.09Å; W42-V46 HydrophobicContact CE3-CB 3.94Å; W42-V46 HydrophobicContact CE3-CG2 3.91Å; W42-V46 HydrophobicContact CZ3-CB 4.12Å; W42-V46 HydrophobicContact CZ3-CG1 4.39Å; W42-V46 HydrophobicContact CZ3-CG2 4.46Å; W42-V46 PolarHBondContact O-N 2.79Å; W42-H49 HydrophobicContact CE3-CB 4.41Å; W42-H49 HydrophobicContact CH2-CB 3.87Å; W42-H49 HydrophobicContact CZ3-CB 3.52Å; W42-R57 HydrophobicContact CH2-CB 3.96Å; W42-R57 HydrophobicContact CH2-CG 3.96Å; W42-R57 HydrophobicContact CZ2-CB 4.04Å; W42-R57 HydrophobicContact CZ2-CG 4.49Å; W42-Q60 HydrophobicContact CD2-CB 3.77Å; W42-Q60 HydrophobicContact CE3-CB 3.68Å; W42-Q60 HydrophobicContact CE3-CG 4.27Å; W42-Q60 HydrophobicContact CG-CB 4.43Å; W42-Q60 HydrophobicContact CH2-CB 4.09Å; W42-Q60 HydrophobicContact CZ2-CB 4.16Å; W42-Q60 HydrophobicContact CZ3-CB 3.84Å; W42-Q60 HydrophobicContact CZ3-CG 4.14Å; W42-W64 HydrophobicContact CB-CB 3.81Å; W42-W64 HydrophobicContact CB-CD2 3.83Å; W42-W64 HydrophobicContact CB-CE3 3.99Å; W42-W64 HydrophobicContact CB-CG 3.74Å; W42-W64 HydrophobicContact CG-CB 4.13Å; W42-W64 HydrophobicContact CG-CG 4.29Å; W42-F138 HydrophobicContact CB-CE2 4.09Å |
| 43 | T | 92.8 | Very high | 81.3 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 30% | 0.301 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -66.7 | -23.6 | 177.7 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | S41 L45 H49 | S41-T43 WeakPolarHBondContact CB-OG1 3.42Å; S41-T43 PolarHBondContact O-N 2.6Å; S41-T43 VanDerWaalsContact O-N 3.07Å; S41-T43 PolarHBondContact OG-N 2.8Å; S41-T43 PolarHBondContact OG-OG1 2.86Å; T43-L45 VanDerWaalsContact C-N 3.25Å; T43-H49 HydrophobicContact CG2-CB 4.15Å; T43-H49 PolarHBondContact O-CE1 3.24Å; T43-H49 PolarHBondContact O-ND1 3.16Å |
| 44 | E | 92.1 | Very high | 83.8 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 55% | 0.547 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -70.9 | -26.5 | 173.2 | -65.8 | 174.5 | -153.7 | 0 | 0 | 111.7 | E39 S40 S41 W42 | E39-E44 HydrophobicContact CB-CB 4.4Å; S40-E44 WeakPolarHBondContact CB-OE1 3.44Å; S40-E44 PolarHBondContact N-OE1 3.1Å; S40-E44 PolarHBondContact OG-OE1 2.79Å; S41-E44 WeakPolarHBondContact O-CB 3.47Å; S41-E44 PolarHBondContact O-N 3.16Å; S41-E44 VanDerWaalsContact O-N 3.08Å; W42-E44 PolarHBondContact O-N 3.27Å |
| 45 | L | 91.1 | Very high | 86.3 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -45.5 | -176.8 | -66.7 | 176.2 | 0 | 0 | 0 | 112.5 | E39 W42 T43 K47 W64 L128 V131 R132 G135 F138 | E39-L45 HydrophobicContact CB-CG 4.37Å; E39-L45 VanDerWaalsContact CD-CD2 3.49Å; E39-L45 HydrophobicContact CG-CD1 4.3Å; E39-L45 HydrophobicContact CG-CD2 3.72Å; E39-L45 HydrophobicContact CG-CG 3.89Å; E39-L45 WeakPolarHBondContact OE1-CD2 3.22Å; W42-L45 WeakPolarHBondContact O-CB 3.37Å; W42-L45 PolarHBondContact O-N 2.86Å; W42-L45 VanDerWaalsContact O-N 3.09Å; T43-L45 VanDerWaalsContact C-N 3.25Å; L45-K47 PolarHBondContact O-N 2.91Å; L45-W64 HydrophobicContact CD1-CE3 4.36Å; L45-W64 HydrophobicContact CD1-CH2 4.08Å; L45-W64 HydrophobicContact CD1-CZ3 3.57Å; L45-L128 HydrophobicContact CD1-CD1 3.72Å; L45-V131 HydrophobicContact CB-CG1 3.84Å; L45-V131 HydrophobicContact CD1-CG1 4.38Å; L45-R132 HydrophobicContact CD2-CG 3.62Å; L45-G135 WeakPolarHBondContact O-CA 3.48Å; L45-F138 HydrophobicContact CD1-CE2 4.32Å; L45-F138 HydrophobicContact CD1-CZ 4Å |
| 46 | V | 92.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | trans | -88.2 | 109.9 | -172 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | W42 S48 H49 M52 V131 P137 F138 | W42-V46 HydrophobicContact CE3-CB 3.94Å; W42-V46 HydrophobicContact CE3-CG2 3.91Å; W42-V46 HydrophobicContact CZ3-CB 4.12Å; W42-V46 HydrophobicContact CZ3-CG1 4.39Å; W42-V46 HydrophobicContact CZ3-CG2 4.46Å; W42-V46 PolarHBondContact O-N 2.79Å; V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 3.46Å; V46-H49 WeakPolarHBondContact O-CB 3.47Å; V46-H49 PolarHBondContact O-N 3.06Å; V46-H49 PolarHBondContact O-ND1 3.43Å; V46-M52 HydrophobicContact CG1-CE 4.46Å; V46-M52 HydrophobicContact CG1-SD 3.79Å; V46-V131 HydrophobicContact CG2-CG1 4.2Å; V46-P137 HydrophobicContact CG1-CB 4.34Å; V46-P137 HydrophobicContact CG1-CG 3.97Å; V46-F138 HydrophobicContact CG2-CD2 4.32Å; V46-F138 HydrophobicContact CG2-CE2 4.46Å | ||
| 47 | K | 89.6 | Confident | 90.2 | Very high | 166 Ų | 166 | 67.9 Ų | 67.9 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -32.2 | -176.2 | -68.4 | 177.1 | -179.8 | 173.4 | 0 | 113.2 | L45 H49 G135 | L45-K47 PolarHBondContact O-N 2.91Å; K47-H49 VanDerWaalsContact C-N 3.31Å; K47-H49 PolarHBondContact O-N 3Å; K47-G135 PolarHBondContact N-O 3.41Å |
| 48 | S | 89.3 | Confident | 91.2 | Very high | 34 Ų | 34 | 68.7 Ų | 68.7 | 24% | 0.238 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2 | -177.7 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | V46 T50 T51 M52 | V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 3.46Å; S48-T50 PolarHBondContact O-N 3.14Å; S48-T51 PolarHBondContact O-N 3.23Å; S48-T51 PolarHBondContact O-OG1 3.46Å; S48-M52 WeakPolarHBondContact O-CG 2.98Å; S48-M52 PolarHBondContact O-N 2.64Å; S48-M52 VanDerWaalsContact O-N 3.15Å; S48-M52 PolarHBondContact OG-SD 2.8Å |
| 49 | H | 87 | Confident | 91.6 | Very high | 59 Ų | 59 | 67 Ų | 67 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -31.4 | -168.7 | 69.8 | -86.1 | 0 | 0 | 0 | 115.2 | W42 T43 V46 K47 R57 | W42-H49 HydrophobicContact CE3-CB 4.41Å; W42-H49 HydrophobicContact CH2-CB 3.87Å; W42-H49 HydrophobicContact CZ3-CB 3.52Å; T43-H49 HydrophobicContact CG2-CB 4.15Å; T43-H49 PolarHBondContact O-CE1 3.24Å; T43-H49 PolarHBondContact O-ND1 3.16Å; V46-H49 WeakPolarHBondContact O-CB 3.47Å; V46-H49 PolarHBondContact O-N 3.06Å; V46-H49 PolarHBondContact O-ND1 3.43Å; K47-H49 VanDerWaalsContact C-N 3.31Å; K47-H49 PolarHBondContact O-N 3Å; H49-R57 VanDerWaalsContact O-CD 3.31Å; H49-R57 WeakPolarHBondContact O-CD 3.4Å |
| 50 | T | 87.6 | Confident | 92 | Very high | 99 Ų | 99 | 64.8 Ų | 64.8 | 61% | 0.607 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -32.2 | 177.7 | 53 | 0 | 0 | 0 | 0 | 113.3 | S48 | S48-T50 PolarHBondContact O-N 3.14Š|
| 51 | T | 89.8 | Confident | 92.4 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 72% | 0.718 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -11.7 | -175 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | S48 | S48-T51 PolarHBondContact O-N 3.23Å; S48-T51 PolarHBondContact O-OG1 3.46Å |
| 52 | M | 92.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 6% | 0.064 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -74.3 | 145.7 | -176.4 | -71.8 | 163.1 | 85 | 0 | 0 | 112.9 | V46 S48 Q56 R57 Q60 P137 | V46-M52 HydrophobicContact CG1-CE 4.46Å; V46-M52 HydrophobicContact CG1-SD 3.79Å; S48-M52 WeakPolarHBondContact O-CG 2.98Å; S48-M52 PolarHBondContact O-N 2.64Å; S48-M52 VanDerWaalsContact O-N 3.15Å; S48-M52 PolarHBondContact OG-SD 2.8Å; M52-Q56 HydrophobicContact CB-CB 4.5Å; M52-Q56 HydrophobicContact CE-CB 4.2Å; M52-Q56 HydrophobicContact CE-CG 3.47Å; M52-Q56 VanDerWaalsContact CE-CG 3.47Å; M52-R57 HydrophobicContact CB-CG 3.93Å; M52-Q60 HydrophobicContact CE-CG 3.77Å; M52-P137 HydrophobicContact CE-CB 3.84Å; M52-P137 HydrophobicContact CE-CG 3.54Å; M52-P137 HydrophobicContact SD-CG 4.17Å |
| 53 | A | 93 | Very high | 93 | Very high | 65 Ų | 65 | 60 Ų | 60 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | trans | -60.4 | 148.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K55 Q56 R57 | A53-K55 VanDerWaalsContact C-N 3.26Å; A53-K55 PolarHBondContact O-N 3.24Å; A53-K55 VanDerWaalsContact O-N 3.15Å; A53-Q56 WeakPolarHBondContact O-CB 3.39Å; A53-Q56 PolarHBondContact O-N 2.98Å; A53-R57 PolarHBondContact O-N 3.42Å | ||
| 54 | K | 92.4 | Very high | 93.3 | Very high | 140 Ų | 140 | 58.3 Ų | 58.3 | 61% | 0.609 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -50.2 | -44.7 | -177.2 | -176.5 | 177.6 | 179.6 | 179.3 | 0 | 113.1 | R57 H58 | K54-R57 WeakPolarHBondContact O-CB 3.38Å; K54-R57 PolarHBondContact O-N 2.93Å; K54-H58 PolarHBondContact O-N 3.31Å; K54-H58 VanDerWaalsContact O-N 3.08Å |
| 55 | K | 92.1 | Very high | 93.5 | Very high | 65 Ų | 65 | 57.5 Ų | 57.5 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | -179.3 | -154.3 | -176.4 | 173.4 | 170.5 | 0 | 112.3 | A53 R57 H58 Q59 K222 E223 Q225 | A53-K55 VanDerWaalsContact C-N 3.26Å; A53-K55 PolarHBondContact O-N 3.24Å; A53-K55 VanDerWaalsContact O-N 3.15Å; K55-R57 VanDerWaalsContact C-N 3.34Å; K55-R57 PolarHBondContact O-N 3.46Å; K55-H58 PolarHBondContact O-N 2.83Å; K55-Q59 PolarHBondContact O-N 3.29Å; K55-K222 WeakPolarHBondContact CE-O 3.35Å; K55-K222 PolarHBondContact NZ-O 3Å; K55-E223 WeakPolarHBondContact CE-O 3.48Å; K55-E223 HydrophobicContact CG-CB 4.38Å; K55-E223 WeakPolarHBondContact CG-O 3.47Å; K55-E223 WeakPolarHBondContact CG-OE2 3.42Å; K55-Q225 VanDerWaalsContact CD-CD 3.46Å; K55-Q225 HydrophobicContact CD-CG 3.81Å |
| 56 | Q | 93.2 | Very high | 93.8 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 175.5 | -157.1 | -175.6 | 8.4 | 0 | 0 | 111.1 | M52 A53 H58 Q59 Q60 | M52-Q56 HydrophobicContact CB-CB 4.5Å; M52-Q56 HydrophobicContact CE-CB 4.2Å; M52-Q56 HydrophobicContact CE-CG 3.47Å; M52-Q56 VanDerWaalsContact CE-CG 3.47Å; A53-Q56 WeakPolarHBondContact O-CB 3.39Å; A53-Q56 PolarHBondContact O-N 2.98Å; Q56-H58 VanDerWaalsContact C-N 3.34Å; Q56-H58 PolarHBondContact O-N 3.37Å; Q56-Q59 WeakPolarHBondContact O-CB 3.36Å; Q56-Q59 PolarHBondContact O-N 2.87Å; Q56-Q60 VanDerWaalsContact O-CG 3.29Å; Q56-Q60 WeakPolarHBondContact O-CG 3.39Å; Q56-Q60 PolarHBondContact O-N 2.62Å |
| 57 | R | 95.1 | Very high | 94 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 174.1 | -61.6 | -166.5 | -64.7 | -146.7 | -1.9 | 112.7 | W42 H49 M52 A53 K54 K55 Q60 A61 | W42-R57 HydrophobicContact CH2-CB 3.96Å; W42-R57 HydrophobicContact CH2-CG 3.96Å; W42-R57 HydrophobicContact CZ2-CB 4.04Å; W42-R57 HydrophobicContact CZ2-CG 4.49Å; H49-R57 VanDerWaalsContact O-CD 3.31Å; H49-R57 WeakPolarHBondContact O-CD 3.4Å; M52-R57 HydrophobicContact CB-CG 3.93Å; A53-R57 PolarHBondContact O-N 3.42Å; K54-R57 WeakPolarHBondContact O-CB 3.38Å; K54-R57 PolarHBondContact O-N 2.93Å; K55-R57 VanDerWaalsContact C-N 3.34Å; K55-R57 PolarHBondContact O-N 3.46Å; R57-Q60 PolarHBondContact O-N 2.91Å; R57-A61 PolarHBondContact O-N 2.77Å |
| 58 | H | 96.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 39% | 0.394 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 175.1 | -64.1 | 172.6 | 0 | 0 | 0 | 112.2 | K54 K55 Q56 Q60 A61 A62 E223 | K54-H58 PolarHBondContact O-N 3.31Å; K54-H58 VanDerWaalsContact O-N 3.08Å; K55-H58 PolarHBondContact O-N 2.83Å; Q56-H58 VanDerWaalsContact C-N 3.34Å; Q56-H58 PolarHBondContact O-N 3.37Å; H58-Q60 VanDerWaalsContact C-N 3.34Å; H58-Q60 PolarHBondContact O-N 2.93Å; H58-A61 PolarHBondContact O-N 2.94Å; H58-A62 PolarHBondContact O-N 2.81Å; H58-E223 HydrophobicContact CB-CB 4.22Å; H58-E223 HydrophobicContact CB-CG 3.71Å; H58-E223 WeakPolarHBondContact CB-OE2 3.2Å; H58-E223 IonicContact CG-OE2 3.25Å; H58-E223 IonicContact ND1-OE2 2.81Å; H58-E223 PolarHBondContact ND1-OE2 2.93Å |
| 59 | Q | 96.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 174.1 | -174.2 | -159.3 | 62.1 | 0 | 0 | 111.3 | K55 Q56 A61 A62 L63 V220 E223 T224 | K55-Q59 PolarHBondContact O-N 3.29Å; Q56-Q59 WeakPolarHBondContact O-CB 3.36Å; Q56-Q59 PolarHBondContact O-N 2.87Å; Q59-A61 VanDerWaalsContact C-N 3.34Å; Q59-A61 PolarHBondContact O-N 3.31Å; Q59-A62 PolarHBondContact O-N 2.86Å; Q59-L63 HydrophobicContact CG-CD1 4.37Å; Q59-L63 WeakPolarHBondContact O-CG 3.49Å; Q59-L63 PolarHBondContact O-N 2.74Å; Q59-V220 HydrophobicContact CG-CG1 4.23Å; Q59-E223 HydrophobicContact CB-CB 3.82Å; Q59-T224 PolarHBondContact NE2-OG1 2.77Å |
| 60 | Q | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.6 | -64.1 | -60.6 | -69 | 0 | 0 | 112 | W42 M52 Q56 R57 H58 A62 L63 W64 F138 | W42-Q60 HydrophobicContact CD2-CB 3.77Å; W42-Q60 HydrophobicContact CE3-CB 3.68Å; W42-Q60 HydrophobicContact CE3-CG 4.27Å; W42-Q60 HydrophobicContact CG-CB 4.43Å; W42-Q60 HydrophobicContact CH2-CB 4.09Å; W42-Q60 HydrophobicContact CZ2-CB 4.16Å; W42-Q60 HydrophobicContact CZ3-CB 3.84Å; W42-Q60 HydrophobicContact CZ3-CG 4.14Å; M52-Q60 HydrophobicContact CE-CG 3.77Å; Q56-Q60 VanDerWaalsContact O-CG 3.29Å; Q56-Q60 WeakPolarHBondContact O-CG 3.39Å; Q56-Q60 PolarHBondContact O-N 2.62Å; R57-Q60 PolarHBondContact O-N 2.91Å; H58-Q60 VanDerWaalsContact C-N 3.34Å; H58-Q60 PolarHBondContact O-N 2.93Å; Q60-A62 VanDerWaalsContact C-N 3.35Å; Q60-A62 PolarHBondContact O-N 2.89Å; Q60-L63 PolarHBondContact O-N 3.26Å; Q60-W64 VanDerWaalsContact O-CB 3.29Å; Q60-W64 WeakPolarHBondContact O-CB 3.47Å; Q60-W64 PolarHBondContact O-N 2.96Å; Q60-F138 PolarHBondContact NE2-O 3.49Å |
| 61 | A | 97 | Very high | 95.7 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 36% | 0.355 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R57 H58 Q59 W64 E65 | R57-A61 PolarHBondContact O-N 2.77Å; H58-A61 PolarHBondContact O-N 2.94Å; Q59-A61 VanDerWaalsContact C-N 3.34Å; Q59-A61 PolarHBondContact O-N 3.31Å; A61-W64 PolarHBondContact O-N 3.09Å; A61-E65 PolarHBondContact O-N 3.34Å |
| 62 | A | 97.6 | Very high | 96 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H58 Q59 Q60 E65 L66 A219 V220 | H58-A62 PolarHBondContact O-N 2.81Å; Q59-A62 PolarHBondContact O-N 2.86Å; Q60-A62 VanDerWaalsContact C-N 3.35Å; Q60-A62 PolarHBondContact O-N 2.89Å; A62-E65 PolarHBondContact O-N 3.13Å; A62-L66 PolarHBondContact O-N 3.28Å; A62-A219 HydrophobicContact CB-CB 4.07Å; A62-V220 HydrophobicContact CB-CG2 3.83Å |
| 63 | L | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 173.2 | -71.5 | 166 | 0 | 0 | 0 | 111.3 | Q59 Q60 E65 L66 V67 F138 P140 L143 V220 | Q59-L63 HydrophobicContact CG-CD1 4.37Å; Q59-L63 WeakPolarHBondContact O-CG 3.49Å; Q59-L63 PolarHBondContact O-N 2.74Å; Q60-L63 PolarHBondContact O-N 3.26Å; L63-E65 VanDerWaalsContact C-N 3.34Å; L63-E65 PolarHBondContact O-N 2.84Å; L63-L66 WeakPolarHBondContact O-CB 3.43Å; L63-L66 PolarHBondContact O-N 2.66Å; L63-V67 WeakPolarHBondContact O-CG2 3.36Å; L63-V67 PolarHBondContact O-N 2.82Å; L63-V67 VanDerWaalsContact O-N 3.11Å; L63-F138 HydrophobicContact CB-CB 4.2Å; L63-F138 HydrophobicContact CB-CG 4.5Å; L63-F138 HydrophobicContact CD1-CB 3.57Å; L63-F138 HydrophobicContact CG-CB 4.48Å; L63-P140 HydrophobicContact CD1-CG 4Å; L63-P140 HydrophobicContact CD2-CB 4.43Å; L63-L143 HydrophobicContact CD2-CD1 3.81Å; L63-V220 HydrophobicContact CD2-CG1 3.91Å; L63-V220 HydrophobicContact CD2-CG2 3.82Å; L63-V220 HydrophobicContact CG-CG1 4.18Å; L63-V220 HydrophobicContact CG-CG2 4.01Å |
| 64 | W | 97.7 | Very high | 96.4 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.3 | -176.2 | -106.3 | 0 | 0 | 0 | 112.4 | L38 E39 W42 L45 Q60 A61 L66 V67 Q68 L128 F138 | L38-W64 HydrophobicContact CB-CH2 4.3Å; L38-W64 HydrophobicContact CB-CZ2 4.44Å; L38-W64 HydrophobicContact CD2-CH2 4.32Å; E39-W64 HydrophobicContact CB-CH2 4.13Å; E39-W64 HydrophobicContact CB-CZ2 4.43Å; E39-W64 VanDerWaalsContact O-CZ2 3.26Å; E39-W64 WeakPolarHBondContact O-CZ2 3.46Å; W42-W64 HydrophobicContact CB-CB 3.81Å; W42-W64 HydrophobicContact CB-CD2 3.83Å; W42-W64 HydrophobicContact CB-CE3 3.99Å; W42-W64 HydrophobicContact CB-CG 3.74Å; W42-W64 HydrophobicContact CG-CB 4.13Å; W42-W64 HydrophobicContact CG-CG 4.29Å; L45-W64 HydrophobicContact CD1-CE3 4.36Å; L45-W64 HydrophobicContact CD1-CH2 4.08Å; L45-W64 HydrophobicContact CD1-CZ3 3.57Å; Q60-W64 VanDerWaalsContact O-CB 3.29Å; Q60-W64 WeakPolarHBondContact O-CB 3.47Å; Q60-W64 PolarHBondContact O-N 2.96Å; A61-W64 PolarHBondContact O-N 3.09Å; W64-L66 VanDerWaalsContact C-N 3.28Å; W64-L66 PolarHBondContact O-N 2.69Å; W64-V67 HydrophobicContact CZ3-CG1 4.37Å; W64-V67 PolarHBondContact O-N 2.8Å; W64-Q68 VanDerWaalsContact NE1-OE1 3.09Å; W64-Q68 WeakPolarHBondContact O-CB 2.93Å; W64-Q68 PolarHBondContact O-N 3.31Å; W64-L128 HydrophobicContact CZ3-CD1 3.93Å; W64-F138 AromaticContact CE3-CE2 3.98Å; W64-F138 HydrophobicContact CE3-CE2 3.98Å; W64-F138 AromaticContact CE3-CZ 3.69Å; W64-F138 HydrophobicContact CE3-CZ 3.69Å; W64-F138 AromaticContact CZ3-CZ 3.93Å; W64-F138 HydrophobicContact CZ3-CZ 3.93Å |
| 65 | E | 97.9 | Very high | 96.6 | Very high | 101 Ų | 101 | 36.5 Ų | 36.5 | 47% | 0.472 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.4 | -42.5 | 173.5 | -175 | -176.4 | 179.2 | 0 | 0 | 111.2 | A61 A62 L63 T69 L216 | A61-E65 PolarHBondContact O-N 3.34Å; A62-E65 PolarHBondContact O-N 3.13Å; L63-E65 VanDerWaalsContact C-N 3.34Å; L63-E65 PolarHBondContact O-N 2.84Å; E65-T69 HydrophobicContact CG-CG2 4.02Å; E65-T69 VanDerWaalsContact O-CB 3.24Å; E65-T69 WeakPolarHBondContact O-CB 3.19Å; E65-T69 WeakPolarHBondContact O-CG2 3.44Å; E65-T69 PolarHBondContact O-N 2.78Å; E65-T69 PolarHBondContact O-OG1 3.05Å; E65-L216 HydrophobicContact CB-CD2 4.48Å; E65-L216 HydrophobicContact CG-CD2 3.92Å |
| 66 | L | 97.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -50.2 | 175.7 | -174.8 | 157.4 | 0 | 0 | 0 | 111.3 | A62 L63 W64 T69 E70 V124 L143 L216 | A62-L66 PolarHBondContact O-N 3.28Å; L63-L66 WeakPolarHBondContact O-CB 3.43Å; L63-L66 PolarHBondContact O-N 2.66Å; W64-L66 VanDerWaalsContact C-N 3.28Å; W64-L66 PolarHBondContact O-N 2.69Å; L66-T69 PolarHBondContact O-OG1 2.8Å; L66-E70 VanDerWaalsContact O-CB 3.31Å; L66-E70 WeakPolarHBondContact O-CB 2.88Å; L66-E70 PolarHBondContact O-N 2.68Å; L66-V124 HydrophobicContact CD2-CG2 4.41Å; L66-L143 HydrophobicContact CD1-CD1 3.95Å; L66-L143 HydrophobicContact CD2-CD2 4.23Å; L66-L216 HydrophobicContact CB-CD1 4.44Å; L66-L216 HydrophobicContact CD1-CB 4.36Å; L66-L216 HydrophobicContact CG-CD1 4.34Å |
| 67 | V | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.9 | -54.2 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | L38 L63 W64 T69 E70 L71 W120 V124 M127 L128 F138 | L38-V67 HydrophobicContact CD1-CG1 4.49Å; L38-V67 HydrophobicContact CD2-CG1 4.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.36Å; L63-V67 PolarHBondContact O-N 2.82Å; L63-V67 VanDerWaalsContact O-N 3.11Å; W64-V67 HydrophobicContact CZ3-CG1 4.37Å; W64-V67 PolarHBondContact O-N 2.8Å; V67-T69 PolarHBondContact O-N 2.67Å; V67-E70 PolarHBondContact O-N 3.02Å; V67-L71 PolarHBondContact O-N 3.27Å; V67-W120 HydrophobicContact CG1-CH2 3.89Å; V67-W120 HydrophobicContact CG1-CZ3 4.07Å; V67-W120 WeakPolarHBondContact O-CZ3 3.4Å; V67-V124 HydrophobicContact CB-CG1 4.14Å; V67-V124 HydrophobicContact CG1-CG1 4.03Å; V67-V124 HydrophobicContact CG2-CG1 3.83Å; V67-M127 HydrophobicContact CG2-CE 3.55Å; V67-L128 HydrophobicContact CG1-CD2 4.35Å; V67-F138 HydrophobicContact CG2-CE1 4.28Å |
| 68 | Q | 96.7 | Very high | 97 | Very high | 77 Ų | 77 | 30.1 Ų | 30.1 | 36% | 0.36 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.8 | -46.2 | -175.8 | -174.8 | -177.2 | -36.9 | 0 | 0 | 111.4 | L38 W64 E70 L71 I72 | L38-Q68 HydrophobicContact CD1-CB 4.45Å; W64-Q68 VanDerWaalsContact NE1-OE1 3.09Å; W64-Q68 WeakPolarHBondContact O-CB 2.93Å; W64-Q68 PolarHBondContact O-N 3.31Å; Q68-E70 VanDerWaalsContact C-N 3.3Å; Q68-E70 PolarHBondContact O-N 3.15Å; Q68-L71 PolarHBondContact O-N 2.69Å; Q68-I72 HydrophobicContact CG-CD1 3.83Å; Q68-I72 VanDerWaalsContact O-CG1 3.25Å; Q68-I72 WeakPolarHBondContact O-CG1 2.91Å; Q68-I72 PolarHBondContact O-N 3.47Å |
| 69 | T | 97.3 | Very high | 96.9 | Very high | 37 Ų | 37 | 27.5 Ų | 27.5 | 23% | 0.227 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.8 | -25.8 | -178.6 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | E65 L66 V67 Y73 R209 | E65-T69 HydrophobicContact CG-CG2 4.02Å; E65-T69 VanDerWaalsContact O-CB 3.24Å; E65-T69 WeakPolarHBondContact O-CB 3.19Å; E65-T69 WeakPolarHBondContact O-CG2 3.44Å; E65-T69 PolarHBondContact O-N 2.78Å; E65-T69 PolarHBondContact O-OG1 3.05Å; L66-T69 PolarHBondContact O-OG1 2.8Å; V67-T69 PolarHBondContact O-N 2.67Å; T69-Y73 VanDerWaalsContact O-CB 3.24Å; T69-Y73 WeakPolarHBondContact O-CB 3.46Å; T69-Y73 PolarHBondContact O-N 2.82Å; T69-R209 VanDerWaalsContact CB-NH1 3.32Å; T69-R209 PolarHBondContact OG1-NH1 3.37Å; T69-R209 PolarHBondContact OG1-NH2 2.9Å |
| 70 | E | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.8 | -50.5 | 172.6 | -171.7 | 67 | -158.5 | 0 | 0 | 111 | L66 V67 Q68 I72 Y73 I74 H116 F119 W120 V124 R209 Y213 | L66-E70 VanDerWaalsContact O-CB 3.31Å; L66-E70 WeakPolarHBondContact O-CB 2.88Å; L66-E70 PolarHBondContact O-N 2.68Å; V67-E70 PolarHBondContact O-N 3.02Å; Q68-E70 VanDerWaalsContact C-N 3.3Å; Q68-E70 PolarHBondContact O-N 3.15Å; E70-I72 PolarHBondContact O-N 2.69Å; E70-Y73 WeakPolarHBondContact O-CB 3.33Å; E70-Y73 PolarHBondContact O-N 2.84Å; E70-I74 HydrophobicContact CG-CD1 4.13Å; E70-I74 WeakPolarHBondContact O-CG1 3.24Å; E70-I74 PolarHBondContact O-N 2.79Å; E70-H116 IonicContact OE1-CE1 3.31Å; E70-H116 IonicContact OE1-CG 3.12Å; E70-H116 IonicContact OE1-ND1 2.69Å; E70-H116 PolarHBondContact OE1-ND1 3.04Å; E70-F119 HydrophobicContact CG-CD1 4.32Å; E70-W120 HydrophobicContact CB-CE3 4.09Å; E70-W120 HydrophobicContact CB-CZ3 4.13Å; E70-W120 HydrophobicContact CG-CE3 3.8Å; E70-W120 HydrophobicContact CG-CZ3 4.37Å; E70-V124 HydrophobicContact CG-CG2 4.4Å; E70-R209 VanDerWaalsContact CA-NH2 3.29Å; E70-R209 IonicContact OE2-CZ 2.68Å; E70-R209 IonicContact OE2-NE 3.35Å; E70-R209 PolarHBondContact OE2-NE 2.82Å; E70-R209 IonicContact OE2-NH2 3.87Å; E70-R209 PolarHBondContact OE2-NH2 2.86Å; E70-Y213 VanDerWaalsContact CD-OH 3.28Å; E70-Y213 PolarHBondContact OE1-OH 2.97Å; E70-Y213 PolarHBondContact OE2-OH 3.41Å |
| 71 | L | 96.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | 179.3 | -174.3 | 62.9 | 0 | 0 | 0 | 111.8 | L38 V67 Q68 Y73 I74 N75 W120 | L38-L71 HydrophobicContact CD1-CB 3.89Å; L38-L71 HydrophobicContact CD1-CD2 3.47Å; L38-L71 VanDerWaalsContact CD1-CD2 3.47Å; L38-L71 HydrophobicContact CD1-CG 4.31Å; L38-L71 HydrophobicContact CD2-CD2 4.28Å; L38-L71 HydrophobicContact CG-CD2 3.47Å; L38-L71 VanDerWaalsContact CG-CD2 3.47Å; V67-L71 PolarHBondContact O-N 3.27Å; Q68-L71 PolarHBondContact O-N 2.69Å; L71-Y73 VanDerWaalsContact C-N 3.25Å; L71-Y73 PolarHBondContact O-N 3.12Å; L71-I74 PolarHBondContact O-N 2.85Å; L71-N75 WeakPolarHBondContact O-CB 3.41Å; L71-N75 VanDerWaalsContact O-CG 3.29Å; L71-N75 PolarHBondContact O-N 2.85Å; L71-N75 PolarHBondContact O-ND2 3.5Å; L71-W120 HydrophobicContact CB-CE3 4.43Å; L71-W120 HydrophobicContact CB-CH2 3.71Å; L71-W120 HydrophobicContact CB-CZ2 4.3Å; L71-W120 HydrophobicContact CB-CZ3 3.78Å; L71-W120 HydrophobicContact CD1-CH2 4.36Å; L71-W120 HydrophobicContact CD1-CZ2 4.08Å; L71-W120 HydrophobicContact CD2-CH2 4.29Å; L71-W120 HydrophobicContact CD2-CZ2 4.32Å; L71-W120 HydrophobicContact CG-CH2 4.33Å; L71-W120 HydrophobicContact CG-CZ2 4.46Å |
| 72 | I | 95.3 | Very high | 96.6 | Very high | 74 Ų | 74 | 33.7 Ų | 33.7 | 38% | 0.379 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 175.2 | -71 | 168.7 | 0 | 0 | 0 | 110.2 | Q68 E70 N75 K76 | Q68-I72 HydrophobicContact CG-CD1 3.83Å; Q68-I72 VanDerWaalsContact O-CG1 3.25Å; Q68-I72 WeakPolarHBondContact O-CG1 2.91Å; Q68-I72 PolarHBondContact O-N 3.47Å; E70-I72 PolarHBondContact O-N 2.69Å; I72-N75 PolarHBondContact O-N 3.2Å; I72-K76 HydrophobicContact CG2-CD 4.22Å; I72-K76 WeakPolarHBondContact O-CG 3.44Å; I72-K76 PolarHBondContact O-N 2.88Å |
| 73 | Y | 97.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65 | -46 | 179 | 175.1 | -107.2 | 0 | 0 | 0 | 112.2 | T69 E70 L71 N75 K76 L77 H116 Y157 K205 P206 R209 | T69-Y73 VanDerWaalsContact O-CB 3.24Å; T69-Y73 WeakPolarHBondContact O-CB 3.46Å; T69-Y73 PolarHBondContact O-N 2.82Å; E70-Y73 WeakPolarHBondContact O-CB 3.33Å; E70-Y73 PolarHBondContact O-N 2.84Å; L71-Y73 VanDerWaalsContact C-N 3.25Å; L71-Y73 PolarHBondContact O-N 3.12Å; Y73-N75 VanDerWaalsContact C-N 3.3Å; Y73-N75 PolarHBondContact O-N 3.17Å; Y73-K76 WeakPolarHBondContact O-CB 3.49Å; Y73-K76 PolarHBondContact O-N 2.9Å; Y73-K76 VanDerWaalsContact O-N 3.15Å; Y73-L77 HydrophobicContact CD1-CD1 4.27Å; Y73-L77 HydrophobicContact CD1-CG 4.5Å; Y73-L77 HydrophobicContact CE1-CD1 3.5Å; Y73-L77 VanDerWaalsContact CE1-CD1 3.5Å; Y73-L77 HydrophobicContact CE1-CG 3.98Å; Y73-L77 HydrophobicContact CE2-CD1 4.37Å; Y73-L77 HydrophobicContact CE2-CD2 4.02Å; Y73-L77 HydrophobicContact CE2-CG 4.04Å; Y73-L77 PolarHBondContact O-N 3.11Å; Y73-L77 WeakPolarHBondContact OH-CD1 3.32Å; Y73-H116 AromaticContact CD1-CE1 3.97Å; Y73-H116 AromaticContact CD1-ND1 3.81Å; Y73-H116 HydrophobicContact CE1-CB 4.49Å; Y73-H116 AromaticContact CE1-CD2 3.5Å; Y73-H116 VanDerWaalsContact CE1-CD2 3.5Å; Y73-H116 WeakPolarHBondContact CE1-CD2 3.32Å; Y73-H116 AromaticContact CE1-CE1 3.56Å; Y73-H116 AromaticContact CE1-CG 3.65Å; Y73-H116 AromaticContact CE1-ND1 3.7Å; Y73-H116 AromaticContact CE1-NE2 3.44Å; Y73-H116 WeakPolarHBondContact CE1-NE2 3.29Å; Y73-Y157 PolarHBondContact OH-OH 3.49Å; Y73-K205 HydrophobicContact CE2-CB 3.97Å; Y73-K205 WeakPolarHBondContact CE2-O 3.27Å; Y73-P206 VanDerWaalsContact OH-CA 3.24Å; Y73-P206 WeakPolarHBondContact OH-CA 3.29Å; Y73-R209 HydrophobicContact CD1-CB 4.18Å; Y73-R209 HydrophobicContact CD1-CG 3.6Å; Y73-R209 HydrophobicContact CD2-CB 3.75Å; Y73-R209 HydrophobicContact CD2-CG 3.98Å; Y73-R209 HydrophobicContact CE1-CB 3.96Å; Y73-R209 HydrophobicContact CE1-CG 3.69Å; Y73-R209 HydrophobicContact CE2-CB 3.51Å; Y73-R209 HydrophobicContact CE2-CG 4.06Å; Y73-R209 HydrophobicContact CG-CB 4.06Å; Y73-R209 HydrophobicContact CG-CG 3.74Å |
| 74 | I | 97.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 175 | -69.7 | 166.6 | 0 | 0 | 0 | 110.8 | E70 L71 K76 L77 K78 L113 H116 Q117 W120 | E70-I74 HydrophobicContact CG-CD1 4.13Å; E70-I74 WeakPolarHBondContact O-CG1 3.24Å; E70-I74 PolarHBondContact O-N 2.79Å; L71-I74 PolarHBondContact O-N 2.85Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 2.88Å; I74-L77 WeakPolarHBondContact O-CB 3.21Å; I74-L77 PolarHBondContact O-N 2.83Å; I74-K78 HydrophobicContact CG2-CD 4.42Å; I74-K78 WeakPolarHBondContact O-CG 3.31Å; I74-K78 PolarHBondContact O-N 3.13Å; I74-L113 HydrophobicContact CG2-CD1 4.06Å; I74-H116 HydrophobicContact CD1-CB 4.27Å; I74-H116 WeakPolarHBondContact CD1-O 3.11Å; I74-H116 HydrophobicContact CG1-CB 3.82Å; I74-Q117 HydrophobicContact CG2-CG 4.13Å; I74-W120 HydrophobicContact CD1-CB 3.63Å; I74-W120 HydrophobicContact CD1-CD2 4.39Å; I74-W120 HydrophobicContact CD1-CE3 4.43Å; I74-W120 HydrophobicContact CD1-CG 4.08Å |
| 75 | N | 95.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 34.4 Ų | 34.4 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.1 | -71.9 | -19.4 | 0 | 0 | 0 | 112 | L71 I72 Y73 L77 K78 I79 | L71-N75 WeakPolarHBondContact O-CB 3.41Å; L71-N75 VanDerWaalsContact O-CG 3.29Å; L71-N75 PolarHBondContact O-N 2.85Å; L71-N75 PolarHBondContact O-ND2 3.5Å; I72-N75 PolarHBondContact O-N 3.2Å; Y73-N75 VanDerWaalsContact C-N 3.3Å; Y73-N75 PolarHBondContact O-N 3.17Å; N75-L77 VanDerWaalsContact C-N 3.35Å; N75-L77 PolarHBondContact O-N 3.41Å; N75-K78 PolarHBondContact O-N 3.19Å; N75-I79 WeakPolarHBondContact O-CG1 3.15Å; N75-I79 PolarHBondContact O-N 3.45Å |
| 76 | K | 95.4 | Very high | 96.1 | Very high | 41 Ų | 41 | 31 Ų | 31 | 18% | 0.178 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -42 | 173.6 | -73.9 | 178.1 | -178.8 | -60.7 | 0 | 112 | I72 Y73 I74 I79 I80 E195 M197 K205 | I72-K76 HydrophobicContact CG2-CD 4.22Å; I72-K76 WeakPolarHBondContact O-CG 3.44Å; I72-K76 PolarHBondContact O-N 2.88Å; Y73-K76 WeakPolarHBondContact O-CB 3.49Å; Y73-K76 PolarHBondContact O-N 2.9Å; Y73-K76 VanDerWaalsContact O-N 3.15Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 2.88Å; K76-I79 WeakPolarHBondContact O-CB 3.35Å; K76-I79 PolarHBondContact O-N 2.95Å; K76-I80 VanDerWaalsContact O-CG1 3.31Å; K76-I80 WeakPolarHBondContact O-CG1 3.08Å; K76-I80 PolarHBondContact O-N 2.97Å; K76-E195 IonicContact NZ-OE2 3.97Å; K76-E195 PolarHBondContact NZ-OE2 3.41Å; K76-M197 HydrophobicContact CB-CE 4.36Å; K76-M197 HydrophobicContact CD-SD 4.06Å; K76-M197 HydrophobicContact CG-CE 4.21Å; K76-M197 HydrophobicContact CG-SD 4.21Å; K76-K205 HydrophobicContact CD-CD 4.35Å |
| 77 | L | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 174.8 | -69.7 | -169.8 | 0 | 0 | 0 | 112.5 | Y73 I74 N75 I79 I80 K81 L109 I112 L113 P206 | Y73-L77 HydrophobicContact CD1-CD1 4.27Å; Y73-L77 HydrophobicContact CD1-CG 4.5Å; Y73-L77 HydrophobicContact CE1-CD1 3.5Å; Y73-L77 VanDerWaalsContact CE1-CD1 3.5Å; Y73-L77 HydrophobicContact CE1-CG 3.98Å; Y73-L77 HydrophobicContact CE2-CD1 4.37Å; Y73-L77 HydrophobicContact CE2-CD2 4.02Å; Y73-L77 HydrophobicContact CE2-CG 4.04Å; Y73-L77 PolarHBondContact O-N 3.11Å; Y73-L77 WeakPolarHBondContact OH-CD1 3.32Å; I74-L77 WeakPolarHBondContact O-CB 3.21Å; I74-L77 PolarHBondContact O-N 2.83Å; N75-L77 VanDerWaalsContact C-N 3.35Å; N75-L77 PolarHBondContact O-N 3.41Å; L77-I79 VanDerWaalsContact C-N 3.35Å; L77-I80 HydrophobicContact CD2-CD1 4.28Å; L77-I80 PolarHBondContact O-N 3.05Å; L77-K81 PolarHBondContact O-N 3.34Å; L77-L109 HydrophobicContact CD2-CD1 3.72Å; L77-L109 HydrophobicContact CD2-CG 4.3Å; L77-I112 HydrophobicContact CD1-CG2 4.09Å; L77-L113 HydrophobicContact CB-CB 4.27Å; L77-L113 HydrophobicContact CB-CD1 3.77Å; L77-L113 HydrophobicContact CB-CG 4.43Å; L77-L113 HydrophobicContact CD1-CB 4.01Å; L77-L113 HydrophobicContact CD1-CD1 4.23Å; L77-P206 HydrophobicContact CD2-CG 4.4Å |
| 78 | K | 95.8 | Very high | 95.9 | Very high | 56 Ų | 56 | 31.9 Ų | 31.9 | 24% | 0.243 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 173.2 | -73.9 | -177.3 | 174.2 | -170.7 | 0 | 111.3 | I74 N75 I80 K81 D82 L113 | I74-K78 HydrophobicContact CG2-CD 4.42Å; I74-K78 WeakPolarHBondContact O-CG 3.31Å; I74-K78 PolarHBondContact O-N 3.13Å; N75-K78 PolarHBondContact O-N 3.19Å; K78-I80 VanDerWaalsContact C-N 3.33Å; K78-I80 PolarHBondContact O-N 3.43Å; K78-K81 PolarHBondContact O-N 3.43Å; K78-D82 VanDerWaalsContact O-CB 3.3Å; K78-D82 WeakPolarHBondContact O-CB 3.3Å; K78-D82 VanDerWaalsContact O-CG 3.26Å; K78-D82 PolarHBondContact O-N 3.43Å; K78-L113 HydrophobicContact CG-CD1 4.03Å; K78-L113 HydrophobicContact CG-CD2 4.21Å |
| 79 | I | 94.5 | Very high | 95.8 | Very high | 31 Ų | 31 | 31.3 Ų | 31.3 | 16% | 0.159 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.8 | -47.9 | 174 | -70.4 | 162.8 | 0 | 0 | 0 | 110.5 | N75 K76 L77 K81 D82 L83 Q193 E195 M197 | N75-I79 WeakPolarHBondContact O-CG1 3.15Å; N75-I79 PolarHBondContact O-N 3.45Å; K76-I79 WeakPolarHBondContact O-CB 3.35Å; K76-I79 PolarHBondContact O-N 2.95Å; L77-I79 VanDerWaalsContact C-N 3.35Å; I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.34Å; I79-D82 PolarHBondContact O-N 3.45Å; I79-L83 HydrophobicContact CG2-CB 4.5Å; I79-L83 HydrophobicContact CG2-CD2 4.42Å; I79-L83 WeakPolarHBondContact O-CA 3.26Å; I79-L83 WeakPolarHBondContact O-CB 3.45Å; I79-L83 PolarHBondContact O-N 2.74Å; I79-Q193 VanDerWaalsContact CG2-O 3.25Å; I79-Q193 WeakPolarHBondContact CG2-O 3.33Å; I79-E195 HydrophobicContact CD1-CG 4.11Å; I79-M197 HydrophobicContact CG2-CE 4.46Å |
| 80 | I | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -59.6 | -44.6 | 179.5 | -63.8 | 162.8 | 0 | 0 | 0 | 111 | K76 L77 K78 V84 I85 F106 L109 M202 | K76-I80 VanDerWaalsContact O-CG1 3.31Å; K76-I80 WeakPolarHBondContact O-CG1 3.08Å; K76-I80 PolarHBondContact O-N 2.97Å; L77-I80 HydrophobicContact CD2-CD1 4.28Å; L77-I80 PolarHBondContact O-N 3.05Å; K78-I80 VanDerWaalsContact C-N 3.33Å; K78-I80 PolarHBondContact O-N 3.43Å; I80-V84 WeakPolarHBondContact O-CA 3.22Å; I80-V84 VanDerWaalsContact O-CB 3.28Å; I80-V84 WeakPolarHBondContact O-CB 3.48Å; I80-V84 PolarHBondContact O-N 3.05Å; I80-I85 PolarHBondContact O-N 2.81Å; I80-I85 VanDerWaalsContact O-N 3.08Å; I80-F106 HydrophobicContact CG2-CD1 3.82Å; I80-F106 HydrophobicContact CG2-CD2 4.31Å; I80-F106 HydrophobicContact CG2-CE1 3.47Å; I80-F106 VanDerWaalsContact CG2-CE1 3.47Å; I80-F106 HydrophobicContact CG2-CE2 3.99Å; I80-F106 HydrophobicContact CG2-CG 4.22Å; I80-F106 HydrophobicContact CG2-CZ 3.54Å; I80-L109 HydrophobicContact CB-CD2 3.95Å; I80-L109 HydrophobicContact CG2-CD2 3.37Å; I80-M202 HydrophobicContact CD1-CB 3.66Å; I80-M202 HydrophobicContact CD1-CG 4.09Å; I80-M202 HydrophobicContact CG1-CB 3.84Å; I80-M202 HydrophobicContact CG1-CG 3.86Å; I80-M202 HydrophobicContact CG1-SD 4.04Å |
| 81 | K | 95.6 | Very high | 95.5 | Very high | 89 Ų | 89 | 32 Ų | 32 | 39% | 0.387 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -65.1 | -53.2 | 178.7 | -177.8 | -173.7 | 171.1 | -169.3 | 0 | 112.3 | L77 K78 I79 I85 A86 L113 | L77-K81 PolarHBondContact O-N 3.34Å; K78-K81 PolarHBondContact O-N 3.43Å; I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.34Å; K81-I85 WeakPolarHBondContact O-CB 3.5Å; K81-A86 PolarHBondContact O-N 2.97Å; K81-L113 HydrophobicContact CB-CD2 4.46Å; K81-L113 HydrophobicContact CD-CD2 3.73Å |
| 82 | D | 94.4 | Very high | 95.5 | Very high | 95 Ų | 95 | 33.1 Ų | 33.1 | 51% | 0.508 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -83.9 | -19.4 | -167.7 | -59 | -21 | 0 | 0 | 0 | 112.5 | K78 I79 A86 | K78-D82 VanDerWaalsContact O-CB 3.3Å; K78-D82 WeakPolarHBondContact O-CB 3.3Å; K78-D82 VanDerWaalsContact O-CG 3.26Å; K78-D82 PolarHBondContact O-N 3.43Å; I79-D82 PolarHBondContact O-N 3.45Å; D82-A86 WeakPolarHBondContact O-CB 3.39Å |
| 83 | L | 93.5 | Very high | 95.5 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -98.3 | -60.7 | 172.8 | -178.9 | 63.3 | 0 | 0 | 0 | 111.4 | I79 A87 W187 H191 Q193 | I79-L83 HydrophobicContact CG2-CB 4.5Å; I79-L83 HydrophobicContact CG2-CD2 4.42Å; I79-L83 WeakPolarHBondContact O-CA 3.26Å; I79-L83 WeakPolarHBondContact O-CB 3.45Å; I79-L83 PolarHBondContact O-N 2.74Å; L83-A87 WeakPolarHBondContact O-CB 3.36Å; L83-A87 PolarHBondContact O-N 3.38Å; L83-A87 VanDerWaalsContact O-N 3.09Å; L83-W187 HydrophobicContact CD1-CH2 3.86Å; L83-W187 HydrophobicContact CD1-CZ3 4.15Å; L83-H191 HydrophobicContact CD1-CB 4.3Å; L83-H191 WeakPolarHBondContact CD1-ND1 3.33Å; L83-H191 HydrophobicContact CD2-CB 3.9Å; L83-Q193 HydrophobicContact CD2-CB 4.42Å |
| 84 | V | 94.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -80.7 | -55.1 | -166.3 | -167.6 | 0 | 0 | 0 | 0 | 110.9 | I80 A87 L88 F106 F184 V188 M202 | I80-V84 WeakPolarHBondContact O-CA 3.22Å; I80-V84 VanDerWaalsContact O-CB 3.28Å; I80-V84 WeakPolarHBondContact O-CB 3.48Å; I80-V84 PolarHBondContact O-N 3.05Å; V84-A87 PolarHBondContact O-N 2.96Å; V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 PolarHBondContact O-N 3.09Å; V84-F106 HydrophobicContact CB-CE2 4.15Å; V84-F106 HydrophobicContact CB-CZ 4.38Å; V84-F106 HydrophobicContact CG1-CE2 3.68Å; V84-F106 HydrophobicContact CG1-CZ 4.03Å; V84-F184 HydrophobicContact CG1-CE1 4.14Å; V84-F184 HydrophobicContact CG1-CZ 4Å; V84-V188 HydrophobicContact CB-CG1 4.47Å; V84-V188 HydrophobicContact CG1-CG1 4.3Å; V84-V188 HydrophobicContact CG1-CG2 4.2Å; V84-V188 HydrophobicContact CG2-CG1 3.51Å; V84-V188 HydrophobicContact CG2-CG2 4.44Å; V84-M202 HydrophobicContact CG2-CE 4.32Å; V84-M202 HydrophobicContact CG2-SD 3.77Å |
| 85 | I | 95.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.138 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -65.1 | -45.7 | -178.8 | -65.7 | 175.2 | 0 | 0 | 0 | 109.9 | I80 K81 L88 V89 P102 F106 L109 | I80-I85 PolarHBondContact O-N 2.81Å; I80-I85 VanDerWaalsContact O-N 3.08Å; K81-I85 WeakPolarHBondContact O-CB 3.5Å; I85-L88 PolarHBondContact O-N 3.05Å; I85-V89 HydrophobicContact CG2-CG2 4.41Å; I85-V89 VanDerWaalsContact O-CG2 3.31Å; I85-V89 WeakPolarHBondContact O-CG2 3.33Å; I85-V89 PolarHBondContact O-N 2.98Å; I85-P102 HydrophobicContact CG2-CB 3.99Å; I85-P102 HydrophobicContact CG2-CG 4.35Å; I85-F106 HydrophobicContact CD1-CB 4.18Å; I85-F106 HydrophobicContact CD1-CD2 4.06Å; I85-F106 HydrophobicContact CD1-CG 4.33Å; I85-F106 HydrophobicContact CG1-CD2 3.78Å; I85-F106 HydrophobicContact CG1-CE2 4.26Å; I85-L109 HydrophobicContact CD1-CD2 4.12Å |
| 86 | A | 95.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 25% | 0.248 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K81 D82 V89 H90 | K81-A86 PolarHBondContact O-N 2.97Å; D82-A86 WeakPolarHBondContact O-CB 3.39Å; A86-V89 PolarHBondContact O-N 3.21Å; A86-H90 WeakPolarHBondContact O-CB 3.43Å; A86-H90 PolarHBondContact O-N 3.14Å |
| 87 | A | 94.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L83 V84 H90 L91 F184 W187 | L83-A87 WeakPolarHBondContact O-CB 3.36Å; L83-A87 PolarHBondContact O-N 3.38Å; L83-A87 VanDerWaalsContact O-N 3.09Å; V84-A87 PolarHBondContact O-N 2.96Å; A87-H90 WeakPolarHBondContact O-CB 3.49Å; A87-H90 PolarHBondContact O-N 3.46Å; A87-L91 WeakPolarHBondContact O-CG 3.43Å; A87-L91 PolarHBondContact O-N 2.82Å; A87-F184 HydrophobicContact CB-CE2 3.97Å; A87-W187 HydrophobicContact CB-CH2 4.09Å; A87-W187 HydrophobicContact CB-CZ3 3.72Å |
| 88 | L | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 175.8 | -177.6 | 60.9 | 0 | 0 | 0 | 111.3 | V84 I85 H90 L91 H92 L97 V100 P102 L105 F184 | V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 PolarHBondContact O-N 3.09Å; I85-L88 PolarHBondContact O-N 3.05Å; L88-H90 VanDerWaalsContact C-N 3.27Å; L88-H90 PolarHBondContact O-N 3.05Å; L88-L91 WeakPolarHBondContact O-CB 2.82Å; L88-L91 PolarHBondContact O-N 3.02Å; L88-L91 VanDerWaalsContact O-N 3.17Å; L88-H92 WeakPolarHBondContact CD1-NE2 3.26Å; L88-H92 PolarHBondContact O-CD2 3.48Å; L88-H92 PolarHBondContact O-N 2.96Å; L88-L97 HydrophobicContact CD1-CB 4.04Å; L88-L97 HydrophobicContact CD1-CD1 4.19Å; L88-V100 HydrophobicContact CD1-CG1 4.4Å; L88-V100 HydrophobicContact CD2-CG1 4.1Å; L88-P102 HydrophobicContact CD2-CB 4.48Å; L88-P102 HydrophobicContact CD2-CG 3.99Å; L88-P102 HydrophobicContact CG-CG 4.48Å; L88-L105 HydrophobicContact CD2-CD1 3.79Å; L88-F184 HydrophobicContact CB-CZ 3.99Å |
| 89 | V | 95.5 | Very high | 94.5 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 39% | 0.394 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | I85 A86 H92 Q93 P102 | I85-V89 HydrophobicContact CG2-CG2 4.41Å; I85-V89 VanDerWaalsContact O-CG2 3.31Å; I85-V89 WeakPolarHBondContact O-CG2 3.33Å; I85-V89 PolarHBondContact O-N 2.98Å; A86-V89 PolarHBondContact O-N 3.21Å; V89-H92 WeakPolarHBondContact O-CB 3.41Å; V89-H92 PolarHBondContact O-N 3.43Å; V89-Q93 PolarHBondContact O-N 2.83Å; V89-P102 HydrophobicContact CG2-CG 3.91Å |
| 90 | H | 94.8 | Very high | 94.5 | Very high | 42 Ų | 42 | 51 Ų | 51 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 175.1 | -175.8 | 83.6 | 0 | 0 | 0 | 111.8 | Y9 A86 A87 L88 H92 Q93 Y94 | Y9-H90 PolarHBondContact OH-NE2 2.87Å; A86-H90 WeakPolarHBondContact O-CB 3.43Å; A86-H90 PolarHBondContact O-N 3.14Å; A87-H90 WeakPolarHBondContact O-CB 3.49Å; A87-H90 PolarHBondContact O-N 3.46Å; L88-H90 VanDerWaalsContact C-N 3.27Å; L88-H90 PolarHBondContact O-N 3.05Å; H90-H92 PolarHBondContact O-N 2.85Å; H90-Q93 WeakPolarHBondContact O-CB 3.32Å; H90-Q93 PolarHBondContact O-N 3.16Å; H90-Y94 AromaticContact CE1-CE2 3.79Å; H90-Y94 AromaticContact NE2-CE2 3.47Å; H90-Y94 WeakPolarHBondContact NE2-CE2 3.44Å; H90-Y94 WeakPolarHBondContact O-CD2 3.43Å |
| 91 | L | 94.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -34.6 | 175.1 | -71 | 173.5 | 0 | 0 | 0 | 111.9 | A87 L88 Q93 Y94 V96 L97 F184 | A87-L91 WeakPolarHBondContact O-CG 3.43Å; A87-L91 PolarHBondContact O-N 2.82Å; L88-L91 WeakPolarHBondContact O-CB 2.82Å; L88-L91 PolarHBondContact O-N 3.02Å; L88-L91 VanDerWaalsContact O-N 3.17Å; L91-Q93 PolarHBondContact O-N 2.95Å; L91-Y94 PolarHBondContact O-N 3.45Å; L91-V96 CarbonylContact C-O 3.44Å; L91-V96 HydrophobicContact CB-CB 4.19Å; L91-V96 HydrophobicContact CB-CG1 4.29Å; L91-V96 HydrophobicContact CD2-CG1 4.27Å; L91-V96 PolarHBondContact O-N 2.82Å; L91-L97 HydrophobicContact CD1-CD1 4Å; L91-F184 HydrophobicContact CD1-CD2 3.62Å; L91-F184 HydrophobicContact CD1-CE2 4.03Å; L91-F184 HydrophobicContact CD1-CG 4.45Å |
| 92 | H | 95.2 | Very high | 94.4 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -24.6 | 176.3 | -65.6 | -172.8 | 0 | 0 | 0 | 113.2 | L88 V89 H90 Y94 D95 V96 L97 Q98 V100 | L88-H92 WeakPolarHBondContact CD1-NE2 3.26Å; L88-H92 PolarHBondContact O-CD2 3.48Å; L88-H92 PolarHBondContact O-N 2.96Å; V89-H92 WeakPolarHBondContact O-CB 3.41Å; V89-H92 PolarHBondContact O-N 3.43Å; H90-H92 PolarHBondContact O-N 2.85Å; H92-Y94 PolarHBondContact O-N 3.14Å; H92-D95 PolarHBondContact O-N 3.29Å; H92-V96 PolarHBondContact CD2-O 2.9Å; H92-V96 VanDerWaalsContact CD2-O 3.31Å; H92-L97 PolarHBondContact NE2-O 3.31Å; H92-Q98 VanDerWaalsContact C-NE2 3.28Å; H92-Q98 PolarHBondContact O-NE2 2.85Å; H92-V100 PolarHBondContact CE1-O 2.74Å; H92-V100 PolarHBondContact NE2-O 3.41Å; H92-V100 VanDerWaalsContact NE2-O 3.12Å |
| 93 | Q | 94.8 | Very high | 94.4 | Very high | 134 Ų | 134 | 53.9 Ų | 53.9 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15.2 | 176.2 | -61.9 | 176.5 | 0.3 | 0 | 0 | 112.8 | V89 H90 L91 | V89-Q93 PolarHBondContact O-N 2.83Å; H90-Q93 WeakPolarHBondContact O-CB 3.32Å; H90-Q93 PolarHBondContact O-N 3.16Å; L91-Q93 PolarHBondContact O-N 2.95Å |
| 94 | Y | 94.3 | Very high | 94.5 | Very high | 148 Ų | 148 | 56.3 Ų | 56.3 | 58% | 0.58 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 21.6 | 179.7 | -62.3 | -90 | 0 | 0 | 0 | 112.2 | H90 L91 H92 V96 | H90-Y94 AromaticContact CE1-CE2 3.79Å; H90-Y94 AromaticContact NE2-CE2 3.47Å; H90-Y94 WeakPolarHBondContact NE2-CE2 3.44Å; H90-Y94 WeakPolarHBondContact O-CD2 3.43Å; L91-Y94 PolarHBondContact O-N 3.45Å; H92-Y94 PolarHBondContact O-N 3.14Å; Y94-V96 PolarHBondContact O-N 2.83Å |
| 95 | D | 92.6 | Very high | 94.5 | Very high | 141 Ų | 141 | 56.3 Ų | 56.3 | 75% | 0.754 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 26.9 | -179.5 | -59.4 | -51.1 | 0 | 0 | 0 | 114.5 | H92 | H92-D95 PolarHBondContact O-N 3.29Š|
| 96 | V | 92.5 | Very high | 94.5 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 24% | 0.242 | 28% | 0.277 | C | S | . | . | trans | -105.2 | 132.6 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | L6 L91 H92 Y94 Q98 | L6-V96 HydrophobicContact CD2-CG1 4.46Å; L91-V96 CarbonylContact C-O 3.44Å; L91-V96 HydrophobicContact CB-CB 4.19Å; L91-V96 HydrophobicContact CB-CG1 4.29Å; L91-V96 HydrophobicContact CD2-CG1 4.27Å; L91-V96 PolarHBondContact O-N 2.82Å; H92-V96 PolarHBondContact CD2-O 2.9Å; H92-V96 VanDerWaalsContact CD2-O 3.31Å; Y94-V96 PolarHBondContact O-N 2.83Å; V96-Q98 VanDerWaalsContact C-N 3.34Å; V96-Q98 PolarHBondContact O-N 2.9Å | ||
| 97 | L | 93.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 61.5 | 27.7 | 177.5 | -64.5 | 175.7 | 0 | 0 | 0 | 116 | L88 L91 H92 E99 V100 H180 F181 F184 | L88-L97 HydrophobicContact CD1-CB 4.04Å; L88-L97 HydrophobicContact CD1-CD1 4.19Å; L91-L97 HydrophobicContact CD1-CD1 4Å; H92-L97 PolarHBondContact NE2-O 3.31Å; L97-E99 VanDerWaalsContact C-OE2 3.29Å; L97-E99 WeakPolarHBondContact CA-OE2 3.21Å; L97-E99 PolarHBondContact O-N 3.11Å; L97-E99 VanDerWaalsContact O-N 3.07Å; L97-V100 PolarHBondContact O-N 3.4Å; L97-H180 HydrophobicContact CD2-CB 3.81Å; L97-F181 HydrophobicContact CD2-CB 3.96Å; L97-F184 HydrophobicContact CD1-CB 3.77Å; L97-F184 HydrophobicContact CD1-CD1 4.43Å; L97-F184 HydrophobicContact CD1-CD2 4.5Å; L97-F184 HydrophobicContact CD1-CG 3.99Å |
| 98 | Q | 93.6 | Very high | 94.6 | Very high | 82 Ų | 82 | 55.1 Ų | 55.1 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.6 | 179.9 | -65.5 | -60.6 | -35.1 | 0 | 0 | 114.5 | H92 V96 V100 | H92-Q98 VanDerWaalsContact C-NE2 3.28Å; H92-Q98 PolarHBondContact O-NE2 2.85Å; V96-Q98 VanDerWaalsContact C-N 3.34Å; V96-Q98 PolarHBondContact O-N 2.9Å; Q98-V100 PolarHBondContact O-N 2.88Å |
| 99 | E | 93.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.3 | 178.1 | 68.3 | -77.1 | -176 | 0 | 0 | 113.4 | L97 N178 | L97-E99 VanDerWaalsContact C-OE2 3.29Å; L97-E99 WeakPolarHBondContact CA-OE2 3.21Å; L97-E99 PolarHBondContact O-N 3.11Å; L97-E99 VanDerWaalsContact O-N 3.07Å; E99-N178 PolarHBondContact OE1-ND2 2.89Å |
| 100 | V | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -105.8 | 97.9 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | L88 H92 L97 Q98 L105 F170 Q174 F181 | L88-V100 HydrophobicContact CD1-CG1 4.4Å; L88-V100 HydrophobicContact CD2-CG1 4.1Å; H92-V100 PolarHBondContact CE1-O 2.74Å; H92-V100 PolarHBondContact NE2-O 3.41Å; H92-V100 VanDerWaalsContact NE2-O 3.12Å; L97-V100 PolarHBondContact O-N 3.4Å; Q98-V100 PolarHBondContact O-N 2.88Å; V100-L105 HydrophobicContact CG1-CD1 3.73Å; V100-L105 HydrophobicContact CG1-CD2 3.98Å; V100-L105 HydrophobicContact CG1-CG 3.89Å; V100-F170 HydrophobicContact CG1-CE1 4.15Å; V100-F170 HydrophobicContact CG2-CZ 4.43Å; V100-Q174 HydrophobicContact CG2-CG 4.11Å; V100-F181 HydrophobicContact CB-CD2 4.39Å; V100-F181 HydrophobicContact CG1-CD2 3.98Å; V100-F181 HydrophobicContact CG1-CE2 3.68Å; V100-F181 HydrophobicContact CG1-CZ 4.38Å; V100-F181 HydrophobicContact CG2-CD2 3.91Å; V100-F181 HydrophobicContact CG2-CE2 4.39Å; V100-F181 HydrophobicContact CG2-CG 4.26Å |
| 101 | K | 94.7 | Very high | 94.9 | Very high | 118 Ų | 118 | 55.7 Ų | 55.7 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | trans | -85.1 | 143.8 | 178.4 | -58.7 | 178.7 | -179.7 | 177.6 | 0 | 111.5 | N103 Q104 L105 | K101-N103 WeakPolarHBondContact CB-OD1 3.36Å; K101-N103 PolarHBondContact O-N 3.22Å; K101-N103 VanDerWaalsContact O-N 3.16Å; K101-Q104 HydrophobicContact CB-CG 4.15Å; K101-Q104 VanDerWaalsContact N-OE1 3.12Å; K101-Q104 WeakPolarHBondContact O-CB 2.99Å; K101-Q104 PolarHBondContact O-N 3.47Å; K101-L105 PolarHBondContact O-N 2.93Å | ||
| 102 | P | 94.2 | Very high | 95.1 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 21% | 0.208 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.4 | -36.6 | 178.6 | -28 | 33.5 | 0 | 0 | 0 | 114.7 | I85 L88 V89 Q104 L105 F106 | I85-P102 HydrophobicContact CG2-CB 3.99Å; I85-P102 HydrophobicContact CG2-CG 4.35Å; L88-P102 HydrophobicContact CD2-CB 4.48Å; L88-P102 HydrophobicContact CD2-CG 3.99Å; L88-P102 HydrophobicContact CG-CG 4.48Å; V89-P102 HydrophobicContact CG2-CG 3.91Å; P102-Q104 VanDerWaalsContact C-N 3.29Å; P102-Q104 PolarHBondContact O-N 3.36Å; P102-L105 PolarHBondContact O-N 2.83Å; P102-F106 PolarHBondContact O-N 2.88Å |
| 103 | N | 94.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 53.7 Ų | 53.7 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.4 | -22.1 | 178 | 65.3 | -31.4 | 0 | 0 | 0 | 113.3 | K101 L105 S107 N167 | K101-N103 WeakPolarHBondContact CB-OD1 3.36Å; K101-N103 PolarHBondContact O-N 3.22Å; K101-N103 VanDerWaalsContact O-N 3.16Å; N103-L105 VanDerWaalsContact C-N 3.32Å; N103-S107 WeakPolarHBondContact O-CA 3.32Å; N103-S107 PolarHBondContact O-N 3.19Å; N103-N167 PolarHBondContact O-ND2 3.3Å |
| 104 | Q | 95.3 | Very high | 95.4 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -79.2 | -17.9 | 173.4 | -62.3 | 177 | -75.1 | 0 | 0 | 112.4 | K101 P102 N167 F170 | K101-Q104 HydrophobicContact CB-CG 4.15Å; K101-Q104 VanDerWaalsContact N-OE1 3.12Å; K101-Q104 WeakPolarHBondContact O-CB 2.99Å; K101-Q104 PolarHBondContact O-N 3.47Å; P102-Q104 VanDerWaalsContact C-N 3.29Å; P102-Q104 PolarHBondContact O-N 3.36Å; Q104-N167 WeakPolarHBondContact O-CA 3.46Å; Q104-N167 WeakPolarHBondContact O-CB 3.5Å; Q104-N167 PolarHBondContact O-OD1 3.45Å; Q104-F170 HydrophobicContact CB-CD1 3.71Å; Q104-F170 HydrophobicContact CB-CE1 3.62Å; Q104-F170 HydrophobicContact CB-CE2 4.5Å; Q104-F170 HydrophobicContact CB-CG 4.2Å; Q104-F170 HydrophobicContact CB-CZ 4.04Å |
| 105 | L | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -93 | -45.3 | 173.4 | -59.8 | -177.6 | 0 | 0 | 0 | 111.3 | L88 V100 K101 P102 N103 F170 T171 F181 Q203 | L88-L105 HydrophobicContact CD2-CD1 3.79Å; V100-L105 HydrophobicContact CG1-CD1 3.73Å; V100-L105 HydrophobicContact CG1-CD2 3.98Å; V100-L105 HydrophobicContact CG1-CG 3.89Å; K101-L105 PolarHBondContact O-N 2.93Å; P102-L105 PolarHBondContact O-N 2.83Å; N103-L105 VanDerWaalsContact C-N 3.32Å; L105-F170 HydrophobicContact CD2-CD1 4.06Å; L105-F170 HydrophobicContact CD2-CE1 4.06Å; L105-T171 VanDerWaalsContact CD2-OG1 3.3Å; L105-T171 WeakPolarHBondContact CD2-OG1 3.08Å; L105-F181 HydrophobicContact CD1-CE2 3.97Å; L105-F181 HydrophobicContact CD1-CZ 4.16Å; L105-F181 HydrophobicContact CD2-CE2 4.2Å; L105-F181 HydrophobicContact CD2-CZ 3.7Å; L105-Q203 PolarHBondContact O-NE2 3.46Å |
| 106 | F | 95.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -126 | 13.5 | -167.9 | -64.6 | -72.2 | 0 | 0 | 0 | 114 | I80 V84 I85 P102 N108 L109 Y160 L199 M202 Q203 | I80-F106 HydrophobicContact CG2-CD1 3.82Å; I80-F106 HydrophobicContact CG2-CD2 4.31Å; I80-F106 HydrophobicContact CG2-CE1 3.47Å; I80-F106 VanDerWaalsContact CG2-CE1 3.47Å; I80-F106 HydrophobicContact CG2-CE2 3.99Å; I80-F106 HydrophobicContact CG2-CG 4.22Å; I80-F106 HydrophobicContact CG2-CZ 3.54Å; V84-F106 HydrophobicContact CB-CE2 4.15Å; V84-F106 HydrophobicContact CB-CZ 4.38Å; V84-F106 HydrophobicContact CG1-CE2 3.68Å; V84-F106 HydrophobicContact CG1-CZ 4.03Å; I85-F106 HydrophobicContact CD1-CB 4.18Å; I85-F106 HydrophobicContact CD1-CD2 4.06Å; I85-F106 HydrophobicContact CD1-CG 4.33Å; I85-F106 HydrophobicContact CG1-CD2 3.78Å; I85-F106 HydrophobicContact CG1-CE2 4.26Å; P102-F106 PolarHBondContact O-N 2.88Å; F106-N108 PolarHBondContact O-N 3.34Å; F106-L109 HydrophobicContact CB-CB 3.9Å; F106-L109 HydrophobicContact CB-CD2 4.13Å; F106-L109 HydrophobicContact CD1-CD2 4.13Å; F106-L109 HydrophobicContact CG-CD2 4.22Å; F106-L109 VanDerWaalsContact O-CB 3.27Å; F106-L109 WeakPolarHBondContact O-CB 3.35Å; F106-L109 PolarHBondContact O-N 3.46Å; F106-Y160 VanDerWaalsContact O-CE2 3.31Å; F106-Y160 WeakPolarHBondContact O-CE2 3.29Å; F106-L199 HydrophobicContact CE1-CD1 4.2Å; F106-L199 HydrophobicContact CE2-CD1 4.12Å; F106-L199 HydrophobicContact CZ-CD1 3.43Å; F106-L199 VanDerWaalsContact CZ-CD1 3.43Å; F106-M202 HydrophobicContact CE1-CB 3.96Å; F106-M202 HydrophobicContact CZ-CB 4.39Å; F106-Q203 HydrophobicContact CD1-CG 4.08Å; F106-Q203 HydrophobicContact CE1-CG 3.81Å |
| 107 | S | 95.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | -124.6 | 176.4 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | N103 H159 N167 | N103-S107 WeakPolarHBondContact O-CA 3.32Å; N103-S107 PolarHBondContact O-N 3.19Å; S107-H159 PolarHBondContact OG-CE1 3.44Å; S107-H159 PolarHBondContact OG-ND1 3.28Å; S107-N167 WeakPolarHBondContact CB-ND2 3.28Å; S107-N167 PolarHBondContact N-ND2 3.01Å |
| 108 | N | 96.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 16% | 0.16 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 35.2 | 176.5 | 63.6 | -42.3 | 0 | 0 | 0 | 113.5 | F106 S110 S111 I112 A156 H159 Y160 | F106-N108 PolarHBondContact O-N 3.34Å; N108-S110 PolarHBondContact O-N 3.22Å; N108-S111 WeakPolarHBondContact O-CB 3.35Å; N108-S111 PolarHBondContact O-N 3.39Å; N108-I112 PolarHBondContact O-N 3.24Å; N108-A156 PolarHBondContact ND2-O 3.45Å; N108-H159 PolarHBondContact OD1-ND1 2.87Å; N108-H159 VanDerWaalsContact OD1-ND1 3.13Å; N108-Y160 WeakPolarHBondContact OD1-CA 3.45Å; N108-Y160 WeakPolarHBondContact OD1-CB 3.41Å; N108-Y160 PolarHBondContact OD1-N 2.93Å |
| 109 | L | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -50.7 | -34.3 | -178.5 | -168.1 | 78.3 | 0 | 0 | 0 | 114.2 | L77 I80 I85 F106 S111 I112 L113 Y160 P206 | L77-L109 HydrophobicContact CD2-CD1 3.72Å; L77-L109 HydrophobicContact CD2-CG 4.3Å; I80-L109 HydrophobicContact CB-CD2 3.95Å; I80-L109 HydrophobicContact CG2-CD2 3.37Å; I85-L109 HydrophobicContact CD1-CD2 4.12Å; F106-L109 HydrophobicContact CB-CB 3.9Å; F106-L109 HydrophobicContact CB-CD2 4.13Å; F106-L109 HydrophobicContact CD1-CD2 4.13Å; F106-L109 HydrophobicContact CG-CD2 4.22Å; F106-L109 VanDerWaalsContact O-CB 3.27Å; F106-L109 WeakPolarHBondContact O-CB 3.35Å; F106-L109 PolarHBondContact O-N 3.46Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.48Å; L109-I112 WeakPolarHBondContact O-CB 3.47Å; L109-I112 PolarHBondContact O-N 2.96Å; L109-I112 VanDerWaalsContact O-N 3.16Å; L109-L113 PolarHBondContact O-N 3.28Å; L109-Y160 HydrophobicContact CB-CE2 4.28Å; L109-Y160 HydrophobicContact CD1-CE2 3.8Å; L109-P206 HydrophobicContact CD1-CG 3.61Å |
| 110 | S | 96.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.8 | -37.1 | 177.4 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | N108 L113 Q114 | N108-S110 PolarHBondContact O-N 3.22Å; S110-L113 PolarHBondContact O-N 3.01Å; S110-Q114 WeakPolarHBondContact O-CB 3.4Å; S110-Q114 PolarHBondContact O-N 2.89Å |
| 111 | S | 98 | Very high | 96.8 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.8 | -35.8 | 174.8 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | N108 L109 Q114 A115 | N108-S111 WeakPolarHBondContact O-CB 3.35Å; N108-S111 PolarHBondContact O-N 3.39Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.48Å; S111-Q114 PolarHBondContact O-N 3Å; S111-A115 PolarHBondContact O-N 3.4Å |
| 112 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -51.3 | 172.9 | -56.9 | -67.5 | 0 | 0 | 0 | 109.9 | L77 N108 L109 Q114 A115 H116 A156 Y157 Y160 P206 | L77-I112 HydrophobicContact CD1-CG2 4.09Å; N108-I112 PolarHBondContact O-N 3.24Å; L109-I112 WeakPolarHBondContact O-CB 3.47Å; L109-I112 PolarHBondContact O-N 2.96Å; L109-I112 VanDerWaalsContact O-N 3.16Å; I112-Q114 VanDerWaalsContact C-N 3.29Å; I112-Q114 PolarHBondContact O-N 2.9Å; I112-A115 WeakPolarHBondContact O-CB 3.37Å; I112-A115 PolarHBondContact O-N 3.31Å; I112-A115 VanDerWaalsContact O-N 3.14Å; I112-H116 PolarHBondContact O-CD2 3.46Å; I112-H116 VanDerWaalsContact O-CD2 3.23Å; I112-H116 PolarHBondContact O-N 2.63Å; I112-H116 VanDerWaalsContact O-N 3.09Å; I112-A156 HydrophobicContact CD1-CB 3.72Å; I112-Y157 HydrophobicContact CD1-CD1 4.16Å; I112-Y157 HydrophobicContact CD1-CD2 3.54Å; I112-Y157 HydrophobicContact CD1-CE1 4.27Å; I112-Y157 HydrophobicContact CD1-CE2 3.72Å; I112-Y157 HydrophobicContact CD1-CG 3.81Å; I112-Y157 HydrophobicContact CG2-CE2 3.85Å; I112-Y160 HydrophobicContact CG1-CD2 4.06Å; I112-Y160 HydrophobicContact CG1-CG 4.34Å; I112-P206 HydrophobicContact CG2-CB 4.29Å |
| 113 | L | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.9 | -46 | 177 | 172.7 | 59.3 | 0 | 0 | 0 | 111.5 | I74 L77 K78 K81 L109 S110 A115 H116 Q117 | I74-L113 HydrophobicContact CG2-CD1 4.06Å; L77-L113 HydrophobicContact CB-CB 4.27Å; L77-L113 HydrophobicContact CB-CD1 3.77Å; L77-L113 HydrophobicContact CB-CG 4.43Å; L77-L113 HydrophobicContact CD1-CB 4.01Å; L77-L113 HydrophobicContact CD1-CD1 4.23Å; K78-L113 HydrophobicContact CG-CD1 4.03Å; K78-L113 HydrophobicContact CG-CD2 4.21Å; K81-L113 HydrophobicContact CB-CD2 4.46Å; K81-L113 HydrophobicContact CD-CD2 3.73Å; L109-L113 PolarHBondContact O-N 3.28Å; S110-L113 PolarHBondContact O-N 3.01Å; L113-A115 PolarHBondContact O-N 2.85Å; L113-H116 PolarHBondContact O-N 2.81Å; L113-Q117 HydrophobicContact CD1-CG 3.96Å; L113-Q117 HydrophobicContact CG-CG 4.41Å; L113-Q117 WeakPolarHBondContact O-CG 3.26Å; L113-Q117 PolarHBondContact O-N 3.31Å |
| 114 | Q | 98.1 | Very high | 97 | Very high | 117 Ų | 117 | 34.6 Ų | 34.6 | 55% | 0.547 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 177.3 | -173.8 | 178.7 | 25.8 | 0 | 0 | 112.3 | S110 S111 I112 H116 Q117 L118 | S110-Q114 WeakPolarHBondContact O-CB 3.4Å; S110-Q114 PolarHBondContact O-N 2.89Å; S111-Q114 PolarHBondContact O-N 3Å; I112-Q114 VanDerWaalsContact C-N 3.29Å; I112-Q114 PolarHBondContact O-N 2.9Å; Q114-H116 VanDerWaalsContact C-N 3.32Å; Q114-H116 PolarHBondContact O-N 3.47Å; Q114-Q117 PolarHBondContact O-N 3.25Å; Q114-L118 HydrophobicContact CG-CD1 4.24Å; Q114-L118 WeakPolarHBondContact O-CG 3.47Å; Q114-L118 PolarHBondContact O-N 3.44Å |
| 115 | A | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.9 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S111 I112 L113 L118 F119 R153 F154 | S111-A115 PolarHBondContact O-N 3.4Å; I112-A115 WeakPolarHBondContact O-CB 3.37Å; I112-A115 PolarHBondContact O-N 3.31Å; I112-A115 VanDerWaalsContact O-N 3.14Å; L113-A115 PolarHBondContact O-N 2.85Å; A115-L118 PolarHBondContact O-N 3.27Å; A115-F119 WeakPolarHBondContact O-CB 3.46Å; A115-F119 PolarHBondContact O-N 2.9Å; A115-R153 VanDerWaalsContact CB-O 3.29Å; A115-R153 WeakPolarHBondContact CB-O 3.44Å; A115-F154 HydrophobicContact CB-CD1 3.97Å; A115-F154 HydrophobicContact CB-CE1 4.14Å |
| 116 | H | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.9 | -36.5 | 177.3 | -76.8 | -84.5 | 0 | 0 | 0 | 113.2 | E70 Y73 I74 I112 L113 Q114 L118 F119 W120 F154 Y157 Y213 | E70-H116 IonicContact OE1-CE1 3.31Å; E70-H116 IonicContact OE1-CG 3.12Å; E70-H116 IonicContact OE1-ND1 2.69Å; E70-H116 PolarHBondContact OE1-ND1 3.04Å; Y73-H116 AromaticContact CD1-CE1 3.97Å; Y73-H116 AromaticContact CD1-ND1 3.81Å; Y73-H116 HydrophobicContact CE1-CB 4.49Å; Y73-H116 AromaticContact CE1-CD2 3.5Å; Y73-H116 VanDerWaalsContact CE1-CD2 3.5Å; Y73-H116 WeakPolarHBondContact CE1-CD2 3.32Å; Y73-H116 AromaticContact CE1-CE1 3.56Å; Y73-H116 AromaticContact CE1-CG 3.65Å; Y73-H116 AromaticContact CE1-ND1 3.7Å; Y73-H116 AromaticContact CE1-NE2 3.44Å; Y73-H116 WeakPolarHBondContact CE1-NE2 3.29Å; I74-H116 HydrophobicContact CD1-CB 4.27Å; I74-H116 WeakPolarHBondContact CD1-O 3.11Å; I74-H116 HydrophobicContact CG1-CB 3.82Å; I112-H116 PolarHBondContact O-CD2 3.46Å; I112-H116 VanDerWaalsContact O-CD2 3.23Å; I112-H116 PolarHBondContact O-N 2.63Å; I112-H116 VanDerWaalsContact O-N 3.09Å; L113-H116 PolarHBondContact O-N 2.81Å; Q114-H116 VanDerWaalsContact C-N 3.32Å; Q114-H116 PolarHBondContact O-N 3.47Å; H116-L118 VanDerWaalsContact C-N 3.33Å; H116-F119 PolarHBondContact O-N 3.38Å; H116-W120 WeakPolarHBondContact O-CB 3.37Å; H116-W120 PolarHBondContact O-N 2.98Å; H116-F154 AromaticContact CD2-CE1 3.75Å; H116-F154 AromaticContact CE1-CE1 3.46Å; H116-F154 VanDerWaalsContact CE1-CE1 3.46Å; H116-F154 WeakPolarHBondContact CE1-CE1 3.41Å; H116-F154 AromaticContact CG-CE1 3.9Å; H116-F154 AromaticContact ND1-CE1 3.72Å; H116-F154 AromaticContact NE2-CD1 3.92Å; H116-F154 AromaticContact NE2-CE1 3.48Å; H116-F154 WeakPolarHBondContact NE2-CE1 3.34Å; H116-Y157 AromaticContact NE2-CE2 3.51Å; H116-Y157 AromaticContact NE2-CZ 3.66Å; H116-Y157 PolarHBondContact NE2-OH 3Å; H116-Y213 AromaticContact CE1-CZ 3.99Å; H116-Y213 PolarHBondContact CE1-OH 3.49Å; H116-Y213 PolarHBondContact ND1-OH 3.42Å |
| 117 | Q | 97.9 | Very high | 97.1 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 173 | -73.3 | 177.8 | -64.1 | 0 | 0 | 111.6 | I74 L113 Q114 W120 Q121 | I74-Q117 HydrophobicContact CG2-CG 4.13Å; L113-Q117 HydrophobicContact CD1-CG 3.96Å; L113-Q117 HydrophobicContact CG-CG 4.41Å; L113-Q117 WeakPolarHBondContact O-CG 3.26Å; L113-Q117 PolarHBondContact O-N 3.31Å; Q114-Q117 PolarHBondContact O-N 3.25Å; Q117-W120 WeakPolarHBondContact O-CB 3.3Å; Q117-W120 PolarHBondContact O-N 2.89Å; Q117-Q121 WeakPolarHBondContact O-CB 3.34Å; Q117-Q121 VanDerWaalsContact O-CG 3.24Å; Q117-Q121 WeakPolarHBondContact O-CG 3.45Å; Q117-Q121 PolarHBondContact O-N 3.18Å |
| 118 | L | 97.6 | Very high | 97.1 | Very high | 69 Ų | 69 | 35.9 Ų | 35.9 | 36% | 0.361 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.5 | -45.3 | 175 | -69.9 | 171.6 | 0 | 0 | 0 | 111.4 | Q114 A115 H116 W120 Q121 E122 | Q114-L118 HydrophobicContact CG-CD1 4.24Å; Q114-L118 WeakPolarHBondContact O-CG 3.47Å; Q114-L118 PolarHBondContact O-N 3.44Å; A115-L118 PolarHBondContact O-N 3.27Å; H116-L118 VanDerWaalsContact C-N 3.33Å; L118-W120 VanDerWaalsContact C-N 3.28Å; L118-W120 PolarHBondContact O-N 2.87Å; L118-Q121 PolarHBondContact O-N 3.13Å; L118-E122 VanDerWaalsContact O-CB 3.31Å; L118-E122 WeakPolarHBondContact O-CB 3.45Å; L118-E122 WeakPolarHBondContact O-CG 3.33Å; L118-E122 PolarHBondContact O-N 3.04Å |
| 119 | F | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.7 | -40.8 | 175 | -179.1 | -109.3 | 0 | 0 | 0 | 112.1 | E70 A115 H116 V123 V124 F154 Y213 | E70-F119 HydrophobicContact CG-CD1 4.32Å; A115-F119 WeakPolarHBondContact O-CB 3.46Å; A115-F119 PolarHBondContact O-N 2.9Å; H116-F119 PolarHBondContact O-N 3.38Å; F119-V123 HydrophobicContact CD2-CB 4.12Å; F119-V123 HydrophobicContact CD2-CG2 3.87Å; F119-V123 HydrophobicContact CE2-CB 3.97Å; F119-V123 HydrophobicContact CE2-CG1 4.01Å; F119-V123 HydrophobicContact CE2-CG2 3.99Å; F119-V123 HydrophobicContact CZ-CG1 4.37Å; F119-V123 VanDerWaalsContact O-CB 3.3Å; F119-V123 WeakPolarHBondContact O-CB 3.34Å; F119-V123 PolarHBondContact O-N 3Å; F119-V124 HydrophobicContact CD1-CG2 3.82Å; F119-V124 HydrophobicContact CE1-CG2 3.46Å; F119-V124 VanDerWaalsContact CE1-CG2 3.46Å; F119-V124 HydrophobicContact CZ-CG2 4.05Å; F119-V124 PolarHBondContact O-N 2.8Å; F119-F154 HydrophobicContact CB-CZ 3.91Å; F119-F154 HydrophobicContact CD1-CZ 4.32Å; F119-F154 HydrophobicContact CD2-CE2 4.4Å; F119-F154 HydrophobicContact CD2-CZ 4.35Å; F119-F154 HydrophobicContact CG-CE2 4.43Å; F119-F154 AromaticContact CG-CZ 3.94Å; F119-F154 HydrophobicContact CG-CZ 3.94Å; F119-Y213 HydrophobicContact CE1-CE1 4.15Å |
| 120 | W | 97.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 8% | 0.076 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -61.2 | -53.7 | 173.5 | 179.7 | -95.3 | 0 | 0 | 0 | 111.9 | L38 V67 E70 L71 I74 H116 Q117 L118 E122 V124 Y125 | L38-W120 HydrophobicContact CD1-CH2 4.4Å; L38-W120 HydrophobicContact CD2-CH2 4.14Å; L38-W120 HydrophobicContact CD2-CZ2 4.49Å; V67-W120 HydrophobicContact CG1-CH2 3.89Å; V67-W120 HydrophobicContact CG1-CZ3 4.07Å; V67-W120 WeakPolarHBondContact O-CZ3 3.4Å; E70-W120 HydrophobicContact CB-CE3 4.09Å; E70-W120 HydrophobicContact CB-CZ3 4.13Å; E70-W120 HydrophobicContact CG-CE3 3.8Å; E70-W120 HydrophobicContact CG-CZ3 4.37Å; L71-W120 HydrophobicContact CB-CE3 4.43Å; L71-W120 HydrophobicContact CB-CH2 3.71Å; L71-W120 HydrophobicContact CB-CZ2 4.3Å; L71-W120 HydrophobicContact CB-CZ3 3.78Å; L71-W120 HydrophobicContact CD1-CH2 4.36Å; L71-W120 HydrophobicContact CD1-CZ2 4.08Å; L71-W120 HydrophobicContact CD2-CH2 4.29Å; L71-W120 HydrophobicContact CD2-CZ2 4.32Å; L71-W120 HydrophobicContact CG-CH2 4.33Å; L71-W120 HydrophobicContact CG-CZ2 4.46Å; I74-W120 HydrophobicContact CD1-CB 3.63Å; I74-W120 HydrophobicContact CD1-CD2 4.39Å; I74-W120 HydrophobicContact CD1-CE3 4.43Å; I74-W120 HydrophobicContact CD1-CG 4.08Å; H116-W120 WeakPolarHBondContact O-CB 3.37Å; H116-W120 PolarHBondContact O-N 2.98Å; Q117-W120 WeakPolarHBondContact O-CB 3.3Å; Q117-W120 PolarHBondContact O-N 2.89Å; L118-W120 VanDerWaalsContact C-N 3.28Å; L118-W120 PolarHBondContact O-N 2.87Å; W120-E122 PolarHBondContact O-N 3.45Å; W120-V124 HydrophobicContact CD2-CB 4.31Å; W120-V124 HydrophobicContact CD2-CG1 4.46Å; W120-V124 HydrophobicContact CE3-CB 3.75Å; W120-V124 HydrophobicContact CE3-CG1 3.59Å; W120-V124 HydrophobicContact CE3-CG2 4.4Å; W120-V124 HydrophobicContact CH2-CG1 4.19Å; W120-V124 HydrophobicContact CZ3-CB 4.12Å; W120-V124 HydrophobicContact CZ3-CG1 3.42Å; W120-V124 VanDerWaalsContact CZ3-CG1 3.42Å; W120-V124 PolarHBondContact O-N 2.89Å; W120-Y125 HydrophobicContact CZ2-CD2 4.37Å; W120-Y125 AromaticContact NE1-CD2 3.95Å; W120-Y125 WeakPolarHBondContact O-CB 3.27Å; W120-Y125 PolarHBondContact O-N 2.97Å |
| 121 | Q | 96.6 | Very high | 96.8 | Very high | 110 Ų | 110 | 38 Ų | 38 | 51% | 0.514 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -64.7 | -39 | -175.3 | -73.5 | 170.3 | -7.7 | 0 | 0 | 113 | Q117 L118 P126 | Q117-Q121 WeakPolarHBondContact O-CB 3.34Å; Q117-Q121 VanDerWaalsContact O-CG 3.24Å; Q117-Q121 WeakPolarHBondContact O-CG 3.45Å; Q117-Q121 PolarHBondContact O-N 3.18Å; L118-Q121 PolarHBondContact O-N 3.13Å; Q121-P126 VanDerWaalsContact O-CD 3.24Å; Q121-P126 WeakPolarHBondContact O-CD 3.28Å; Q121-P126 WeakPolarHBondContact O-CG 3.35Å |
| 122 | E | 96.1 | Very high | 96.7 | Very high | 105 Ų | 105 | 38.7 Ų | 38.7 | 49% | 0.491 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -90.6 | -24.8 | -172.8 | -65.2 | 176.5 | -173.7 | 0 | 0 | 113.6 | L118 W120 R153 | L118-E122 VanDerWaalsContact O-CB 3.31Å; L118-E122 WeakPolarHBondContact O-CB 3.45Å; L118-E122 WeakPolarHBondContact O-CG 3.33Å; L118-E122 PolarHBondContact O-N 3.04Å; W120-E122 PolarHBondContact O-N 3.45Å; E122-R153 IonicContact OE2-CZ 2.64Å; E122-R153 IonicContact OE2-NH1 3.92Å; E122-R153 PolarHBondContact OE2-NH1 3.42Å; E122-R153 IonicContact OE2-NH2 2.66Å; E122-R153 PolarHBondContact OE2-NH2 2.9Å |
| 123 | V | 96.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -124.5 | -59 | -169.8 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | F119 M127 L143 | F119-V123 HydrophobicContact CD2-CB 4.12Å; F119-V123 HydrophobicContact CD2-CG2 3.87Å; F119-V123 HydrophobicContact CE2-CB 3.97Å; F119-V123 HydrophobicContact CE2-CG1 4.01Å; F119-V123 HydrophobicContact CE2-CG2 3.99Å; F119-V123 HydrophobicContact CZ-CG1 4.37Å; F119-V123 VanDerWaalsContact O-CB 3.3Å; F119-V123 WeakPolarHBondContact O-CB 3.34Å; F119-V123 PolarHBondContact O-N 3Å; V123-M127 PolarHBondContact O-N 3.37Å; V123-L143 HydrophobicContact CG1-CD2 4.21Å |
| 124 | V | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -74.8 | -45.2 | -169.7 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | L66 V67 E70 F119 W120 M127 L128 | L66-V124 HydrophobicContact CD2-CG2 4.41Å; V67-V124 HydrophobicContact CB-CG1 4.14Å; V67-V124 HydrophobicContact CG1-CG1 4.03Å; V67-V124 HydrophobicContact CG2-CG1 3.83Å; E70-V124 HydrophobicContact CG-CG2 4.4Å; F119-V124 HydrophobicContact CD1-CG2 3.82Å; F119-V124 HydrophobicContact CE1-CG2 3.46Å; F119-V124 VanDerWaalsContact CE1-CG2 3.46Å; F119-V124 HydrophobicContact CZ-CG2 4.05Å; F119-V124 PolarHBondContact O-N 2.8Å; W120-V124 HydrophobicContact CD2-CB 4.31Å; W120-V124 HydrophobicContact CD2-CG1 4.46Å; W120-V124 HydrophobicContact CE3-CB 3.75Å; W120-V124 HydrophobicContact CE3-CG1 3.59Å; W120-V124 HydrophobicContact CE3-CG2 4.4Å; W120-V124 HydrophobicContact CH2-CG1 4.19Å; W120-V124 HydrophobicContact CZ3-CB 4.12Å; W120-V124 HydrophobicContact CZ3-CG1 3.42Å; W120-V124 VanDerWaalsContact CZ3-CG1 3.42Å; W120-V124 PolarHBondContact O-N 2.89Å; V124-M127 PolarHBondContact O-N 3.2Å; V124-L128 PolarHBondContact O-N 3.28Å |
| 125 | Y | 95.5 | Very high | 96.2 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 20% | 0.204 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.2 | -42.6 | -177.9 | -174.7 | -111.9 | 0 | 0 | 0 | 113 | W120 M127 L128 Q129 | W120-Y125 HydrophobicContact CZ2-CD2 4.37Å; W120-Y125 AromaticContact NE1-CD2 3.95Å; W120-Y125 WeakPolarHBondContact O-CB 3.27Å; W120-Y125 PolarHBondContact O-N 2.97Å; Y125-M127 VanDerWaalsContact C-N 3.32Å; Y125-M127 PolarHBondContact O-N 3.34Å; Y125-L128 PolarHBondContact O-N 2.92Å; Y125-Q129 HydrophobicContact CD1-CG 4.08Å; Y125-Q129 HydrophobicContact CD2-CG 4.29Å; Y125-Q129 HydrophobicContact CE1-CG 3.72Å; Y125-Q129 HydrophobicContact CE2-CG 3.94Å; Y125-Q129 HydrophobicContact CG-CG 4.36Å; Y125-Q129 WeakPolarHBondContact O-CB 3.46Å; Y125-Q129 WeakPolarHBondContact O-CG 3.01Å; Y125-Q129 PolarHBondContact O-N 3.1Å; Y125-Q129 PolarHBondContact OH-NE2 3.06Å |
| 126 | P | 95.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 50 Ų | 50 | 34% | 0.344 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 173.5 | -27.6 | 37.9 | 0 | 0 | 0 | 113.1 | Q121 Q129 E130 | Q121-P126 VanDerWaalsContact O-CD 3.24Å; Q121-P126 WeakPolarHBondContact O-CD 3.28Å; Q121-P126 WeakPolarHBondContact O-CG 3.35Å; P126-Q129 PolarHBondContact O-N 3.36Å; P126-E130 PolarHBondContact O-N 3.4Å |
| 127 | M | 95.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -45.9 | 174.1 | -179.5 | -175.6 | 65.3 | 0 | 0 | 111.3 | V67 V123 V124 Y125 E130 V131 F138 R142 L143 | V67-M127 HydrophobicContact CG2-CE 3.55Å; V123-M127 PolarHBondContact O-N 3.37Å; V124-M127 PolarHBondContact O-N 3.2Å; Y125-M127 VanDerWaalsContact C-N 3.32Å; Y125-M127 PolarHBondContact O-N 3.34Å; M127-E130 PolarHBondContact O-N 3.33Å; M127-V131 WeakPolarHBondContact O-CG2 3.34Å; M127-V131 PolarHBondContact O-N 3.29Å; M127-F138 HydrophobicContact CE-CD1 3.95Å; M127-F138 HydrophobicContact CE-CE1 4.32Å; M127-F138 HydrophobicContact CG-CD1 3.93Å; M127-F138 HydrophobicContact SD-CD1 4.07Å; M127-R142 HydrophobicContact CB-CB 3.98Å; M127-R142 HydrophobicContact CG-CB 3.87Å; M127-R142 HydrophobicContact CG-CG 4.19Å; M127-R142 HydrophobicContact SD-CB 4.1Å; M127-L143 HydrophobicContact CE-CD2 4.14Å; M127-L143 HydrophobicContact SD-CD2 4.21Å; M127-L143 HydrophobicContact SD-CG 4.31Å |
| 128 | L | 95.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.5 | 177 | 61.3 | 0 | 0 | 0 | 112.3 | L38 L45 W64 V67 V124 Y125 E130 V131 R132 F138 | L38-L128 HydrophobicContact CD2-CD2 3.45Å; L38-L128 VanDerWaalsContact CD2-CD2 3.45Å; L45-L128 HydrophobicContact CD1-CD1 3.72Å; W64-L128 HydrophobicContact CZ3-CD1 3.93Å; V67-L128 HydrophobicContact CG1-CD2 4.35Å; V124-L128 PolarHBondContact O-N 3.28Å; Y125-L128 PolarHBondContact O-N 2.92Å; L128-E130 VanDerWaalsContact C-N 3.34Å; L128-E130 PolarHBondContact O-N 3.22Å; L128-V131 PolarHBondContact O-N 2.96Å; L128-R132 HydrophobicContact CD1-CG 4.42Å; L128-R132 WeakPolarHBondContact O-CG 3.46Å; L128-R132 PolarHBondContact O-N 3.4Å; L128-F138 HydrophobicContact CD1-CE1 4.24Å; L128-F138 HydrophobicContact CD1-CZ 4.01Å |
| 129 | Q | 95 | Very high | 95.8 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 33% | 0.327 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63 | -39.2 | 179.6 | -80.3 | -65.8 | -22.6 | 0 | 0 | 112.3 | Y125 P126 V131 R132 R133 | Y125-Q129 HydrophobicContact CD1-CG 4.08Å; Y125-Q129 HydrophobicContact CD2-CG 4.29Å; Y125-Q129 HydrophobicContact CE1-CG 3.72Å; Y125-Q129 HydrophobicContact CE2-CG 3.94Å; Y125-Q129 HydrophobicContact CG-CG 4.36Å; Y125-Q129 WeakPolarHBondContact O-CB 3.46Å; Y125-Q129 WeakPolarHBondContact O-CG 3.01Å; Y125-Q129 PolarHBondContact O-N 3.1Å; Y125-Q129 PolarHBondContact OH-NE2 3.06Å; P126-Q129 PolarHBondContact O-N 3.36Å; Q129-V131 VanDerWaalsContact C-N 3.34Å; Q129-V131 PolarHBondContact O-N 3.35Å; Q129-R132 PolarHBondContact O-N 3.31Å; Q129-R133 WeakPolarHBondContact O-CB 3.44Å; Q129-R133 PolarHBondContact O-N 2.91Å |
| 130 | E | 94.8 | Very high | 95.7 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 174.7 | 179.7 | 171.5 | -169.5 | 0 | 0 | 112.1 | P126 M127 L128 R133 T134 R142 | P126-E130 PolarHBondContact O-N 3.4Å; M127-E130 PolarHBondContact O-N 3.33Å; L128-E130 VanDerWaalsContact C-N 3.34Å; L128-E130 PolarHBondContact O-N 3.22Å; E130-R133 PolarHBondContact O-N 3.48Å; E130-T134 HydrophobicContact CG-CG2 4.4Å; E130-T134 WeakPolarHBondContact O-CB 3.41Å; E130-T134 WeakPolarHBondContact O-CG2 3.49Å; E130-T134 PolarHBondContact O-N 2.92Å; E130-T134 PolarHBondContact O-OG1 3.21Å; E130-R142 IonicContact OE2-CZ 3.76Å; E130-R142 IonicContact OE2-NE 2.69Å; E130-R142 PolarHBondContact OE2-NE 2.94Å; E130-R142 IonicContact OE2-NH2 3.93Å; E130-R142 PolarHBondContact OE2-NH2 3.32Å |
| 131 | V | 95.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -44.6 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L45 V46 M127 L128 Q129 R133 T134 G135 K136 F138 | L45-V131 HydrophobicContact CB-CG1 3.84Å; L45-V131 HydrophobicContact CD1-CG1 4.38Å; V46-V131 HydrophobicContact CG2-CG1 4.2Å; M127-V131 WeakPolarHBondContact O-CG2 3.34Å; M127-V131 PolarHBondContact O-N 3.29Å; L128-V131 PolarHBondContact O-N 2.96Å; Q129-V131 VanDerWaalsContact C-N 3.34Å; Q129-V131 PolarHBondContact O-N 3.35Å; V131-R133 VanDerWaalsContact C-N 3.3Å; V131-R133 PolarHBondContact O-N 3.1Å; V131-T134 PolarHBondContact O-N 3.08Å; V131-G135 VanDerWaalsContact O-CA 3.3Å; V131-G135 WeakPolarHBondContact O-CA 3.36Å; V131-G135 PolarHBondContact O-N 3.4Å; V131-K136 WeakPolarHBondContact CG1-O 3.4Å; V131-F138 HydrophobicContact CB-CD1 4.48Å; V131-F138 HydrophobicContact CB-CE1 4.22Å; V131-F138 HydrophobicContact CB-CE2 4.47Å; V131-F138 HydrophobicContact CB-CZ 4.2Å; V131-F138 HydrophobicContact CG1-CD2 4.22Å; V131-F138 HydrophobicContact CG1-CE1 4.44Å; V131-F138 HydrophobicContact CG1-CE2 3.84Å; V131-F138 HydrophobicContact CG1-CZ 3.95Å; V131-F138 HydrophobicContact CG2-CB 4.36Å; V131-F138 HydrophobicContact CG2-CD1 3.71Å; V131-F138 HydrophobicContact CG2-CD2 4.18Å; V131-F138 HydrophobicContact CG2-CE1 3.94Å; V131-F138 HydrophobicContact CG2-CE2 4.39Å; V131-F138 HydrophobicContact CG2-CG 3.83Å; V131-F138 HydrophobicContact CG2-CZ 4.26Å |
| 132 | R | 94.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 52 Ų | 52 | 25% | 0.249 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.3 | -44.7 | 173.7 | -77.9 | 174.2 | 171.1 | 173.2 | -0.7 | 112.1 | A37 E39 L45 L128 Q129 | A37-R132 PolarHBondContact O-NH2 2.63Å; E39-R132 VanDerWaalsContact CD-NH2 3.31Å; E39-R132 IonicContact OE1-CZ 2.82Å; E39-R132 VanDerWaalsContact OE1-CZ 3.29Å; E39-R132 IonicContact OE1-NE 3.62Å; E39-R132 PolarHBondContact OE1-NE 3.27Å; E39-R132 IonicContact OE1-NH2 2.85Å; E39-R132 PolarHBondContact OE1-NH2 2.92Å; E39-R132 IonicContact OE2-CZ 2.83Å; E39-R132 IonicContact OE2-NE 3.19Å; E39-R132 PolarHBondContact OE2-NE 3.08Å; E39-R132 IonicContact OE2-NH2 2.63Å; E39-R132 PolarHBondContact OE2-NH2 3.49Å; L45-R132 HydrophobicContact CD2-CG 3.62Å; L128-R132 HydrophobicContact CD1-CG 4.42Å; L128-R132 WeakPolarHBondContact O-CG 3.46Å; L128-R132 PolarHBondContact O-N 3.4Å; Q129-R132 PolarHBondContact O-N 3.31Å |
| 133 | R | 95.2 | Very high | 95.8 | Very high | 192 Ų | 192 | 47 Ų | 47 | 73% | 0.725 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -71.1 | -41.9 | -178.1 | -170.8 | -171.1 | 67.6 | 81 | -3.5 | 112.9 | Q129 E130 V131 | Q129-R133 WeakPolarHBondContact O-CB 3.44Å; Q129-R133 PolarHBondContact O-N 2.91Å; E130-R133 PolarHBondContact O-N 3.48Å; V131-R133 VanDerWaalsContact C-N 3.3Å; V131-R133 PolarHBondContact O-N 3.1Å |
| 134 | T | 95.8 | Very high | 95.8 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -97.3 | -26.5 | -169.9 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | E130 V131 K136 | E130-T134 HydrophobicContact CG-CG2 4.4Å; E130-T134 WeakPolarHBondContact O-CB 3.41Å; E130-T134 WeakPolarHBondContact O-CG2 3.49Å; E130-T134 PolarHBondContact O-N 2.92Å; E130-T134 PolarHBondContact O-OG1 3.21Å; V131-T134 PolarHBondContact O-N 3.08Å; T134-K136 PolarHBondContact O-N 3.23Å; T134-K136 WeakPolarHBondContact OG1-CB 3.39Å; T134-K136 PolarHBondContact OG1-N 3.41Å |
| 135 | G | 94.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | trans | 66.5 | 12.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L45 K47 V131 | L45-G135 WeakPolarHBondContact O-CA 3.48Å; K47-G135 PolarHBondContact N-O 3.41Å; V131-G135 VanDerWaalsContact O-CA 3.3Å; V131-G135 WeakPolarHBondContact O-CA 3.36Å; V131-G135 PolarHBondContact O-N 3.4Å | ||
| 136 | K | 95.4 | Very high | 95.6 | Very high | 139 Ų | 139 | 50.1 Ų | 50.1 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -78.3 | 156.9 | 176.1 | -70 | -178.4 | 178.7 | -176.5 | 0 | 110.6 | V131 T134 | V131-K136 WeakPolarHBondContact CG1-O 3.4Å; T134-K136 PolarHBondContact O-N 3.23Å; T134-K136 WeakPolarHBondContact OG1-CB 3.39Å; T134-K136 PolarHBondContact OG1-N 3.41Å |
| 137 | P | 95.2 | Very high | 95.6 | Very high | 41 Ų | 41 | 47.7 Ų | 47.7 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -54.4 | 147.6 | 171.6 | -24.8 | 35 | 0 | 0 | 0 | 112.3 | V46 M52 D139 | V46-P137 HydrophobicContact CG1-CB 4.34Å; V46-P137 HydrophobicContact CG1-CG 3.97Å; M52-P137 HydrophobicContact CE-CB 3.84Å; M52-P137 HydrophobicContact CE-CG 3.54Å; M52-P137 HydrophobicContact SD-CG 4.17Å; P137-D139 PolarHBondContact O-N 2.96Å |
| 138 | F | 96.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 132.5 | 167.7 | -71.9 | -91.9 | 0 | 0 | 0 | 110.1 | W42 L45 V46 Q60 L63 W64 V67 M127 L128 V131 | W42-F138 HydrophobicContact CB-CE2 4.09Å; L45-F138 HydrophobicContact CD1-CE2 4.32Å; L45-F138 HydrophobicContact CD1-CZ 4Å; V46-F138 HydrophobicContact CG2-CD2 4.32Å; V46-F138 HydrophobicContact CG2-CE2 4.46Å; Q60-F138 PolarHBondContact NE2-O 3.49Å; L63-F138 HydrophobicContact CB-CB 4.2Å; L63-F138 HydrophobicContact CB-CG 4.5Å; L63-F138 HydrophobicContact CD1-CB 3.57Å; L63-F138 HydrophobicContact CG-CB 4.48Å; W64-F138 AromaticContact CE3-CE2 3.98Å; W64-F138 HydrophobicContact CE3-CE2 3.98Å; W64-F138 AromaticContact CE3-CZ 3.69Å; W64-F138 HydrophobicContact CE3-CZ 3.69Å; W64-F138 AromaticContact CZ3-CZ 3.93Å; W64-F138 HydrophobicContact CZ3-CZ 3.93Å; V67-F138 HydrophobicContact CG2-CE1 4.28Å; M127-F138 HydrophobicContact CE-CD1 3.95Å; M127-F138 HydrophobicContact CE-CE1 4.32Å; M127-F138 HydrophobicContact CG-CD1 3.93Å; M127-F138 HydrophobicContact SD-CD1 4.07Å; L128-F138 HydrophobicContact CD1-CE1 4.24Å; L128-F138 HydrophobicContact CD1-CZ 4.01Å; V131-F138 HydrophobicContact CB-CD1 4.48Å; V131-F138 HydrophobicContact CB-CE1 4.22Å; V131-F138 HydrophobicContact CB-CE2 4.47Å; V131-F138 HydrophobicContact CB-CZ 4.2Å; V131-F138 HydrophobicContact CG1-CD2 4.22Å; V131-F138 HydrophobicContact CG1-CE1 4.44Å; V131-F138 HydrophobicContact CG1-CE2 3.84Å; V131-F138 HydrophobicContact CG1-CZ 3.95Å; V131-F138 HydrophobicContact CG2-CB 4.36Å; V131-F138 HydrophobicContact CG2-CD1 3.71Å; V131-F138 HydrophobicContact CG2-CD2 4.18Å; V131-F138 HydrophobicContact CG2-CE1 3.94Å; V131-F138 HydrophobicContact CG2-CE2 4.39Å; V131-F138 HydrophobicContact CG2-CG 3.83Å; V131-F138 HydrophobicContact CG2-CZ 4.26Å |
| 139 | D | 95.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 55.4 Ų | 55.4 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | trans | -98.1 | 114.2 | 176.2 | 175.4 | 11 | 0 | 0 | 0 | 110.1 | P137 M141 R142 | P137-D139 PolarHBondContact O-N 2.96Å; D139-M141 PolarHBondContact O-N 3.36Å; D139-M141 VanDerWaalsContact O-N 3.13Å; D139-M141 VanDerWaalsContact OD1-CB 3.31Å; D139-M141 WeakPolarHBondContact OD1-CB 3.24Å; D139-M141 WeakPolarHBondContact OD1-CG 3.45Å; D139-M141 PolarHBondContact OD1-N 3.39Å; D139-R142 HydrophobicContact CB-CG 3.94Å; D139-R142 WeakPolarHBondContact O-CB 3.15Å; D139-R142 WeakPolarHBondContact O-CG 2.94Å; D139-R142 PolarHBondContact O-N 2.91Å; D139-R142 VanDerWaalsContact O-N 3.12Å | ||
| 140 | P | 96.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 5% | 0.045 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -55.9 | -27.1 | 176.8 | -20.9 | 28.5 | 0 | 0 | 0 | 114.2 | L63 R142 L143 V220 V229 L233 | L63-P140 HydrophobicContact CD1-CG 4Å; L63-P140 HydrophobicContact CD2-CB 4.43Å; P140-R142 PolarHBondContact O-N 3.43Å; P140-L143 WeakPolarHBondContact O-CB 3.32Å; P140-L143 PolarHBondContact O-N 2.87Å; P140-L143 VanDerWaalsContact O-N 3.16Å; P140-V220 HydrophobicContact CB-CG1 4.12Å; P140-V220 HydrophobicContact CG-CG1 4.17Å; P140-V229 HydrophobicContact CB-CG1 3.84Å; P140-V229 HydrophobicContact CG-CG1 3.99Å; P140-L233 HydrophobicContact CB-CD1 4.31Å; P140-L233 HydrophobicContact CB-CD2 4.41Å |
| 141 | M | 97.6 | Very high | 96 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -64.6 | -22.1 | -179 | -63.9 | -61.1 | -60 | 0 | 0 | 112.2 | D139 L143 E144 V229 A232 | D139-M141 PolarHBondContact O-N 3.36Å; D139-M141 VanDerWaalsContact O-N 3.13Å; D139-M141 VanDerWaalsContact OD1-CB 3.31Å; D139-M141 WeakPolarHBondContact OD1-CB 3.24Å; D139-M141 WeakPolarHBondContact OD1-CG 3.45Å; D139-M141 PolarHBondContact OD1-N 3.39Å; M141-L143 PolarHBondContact O-N 3.16Å; M141-E144 VanDerWaalsContact CE-OE2 3.25Å; M141-E144 WeakPolarHBondContact CE-OE2 3.22Å; M141-E144 VanDerWaalsContact O-CB 3.24Å; M141-E144 WeakPolarHBondContact O-CB 3.35Å; M141-E144 PolarHBondContact O-N 3Å; M141-E144 VanDerWaalsContact O-N 3.07Å; M141-V229 HydrophobicContact CG-CG1 4.42Å; M141-V229 HydrophobicContact CG-CG2 4.2Å; M141-V229 HydrophobicContact SD-CB 4.24Å; M141-V229 HydrophobicContact SD-CG1 4.04Å; M141-V229 HydrophobicContact SD-CG2 4.12Å; M141-A232 HydrophobicContact CE-CB 3.73Å; M141-A232 HydrophobicContact SD-CB 3.58Å; M141-A232 VanDerWaalsContact SD-CB 3.58Å |
| 142 | R | 96.8 | Very high | 96.1 | Very high | 120 Ų | 120 | 57.5 Ų | 57.5 | 45% | 0.453 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -66 | -19.1 | 177.1 | -51.9 | -60.8 | -99.4 | 153.1 | -3.9 | 113 | M127 E130 D139 P140 | M127-R142 HydrophobicContact CB-CB 3.98Å; M127-R142 HydrophobicContact CG-CB 3.87Å; M127-R142 HydrophobicContact CG-CG 4.19Å; M127-R142 HydrophobicContact SD-CB 4.1Å; E130-R142 IonicContact OE2-CZ 3.76Å; E130-R142 IonicContact OE2-NE 2.69Å; E130-R142 PolarHBondContact OE2-NE 2.94Å; E130-R142 IonicContact OE2-NH2 3.93Å; E130-R142 PolarHBondContact OE2-NH2 3.32Å; D139-R142 HydrophobicContact CB-CG 3.94Å; D139-R142 WeakPolarHBondContact O-CB 3.15Å; D139-R142 WeakPolarHBondContact O-CG 2.94Å; D139-R142 PolarHBondContact O-N 2.91Å; D139-R142 VanDerWaalsContact O-N 3.12Å; P140-R142 PolarHBondContact O-N 3.43Å |
| 143 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -80.3 | -18 | 174.9 | -61.5 | 174.5 | 0 | 0 | 0 | 113.1 | L63 L66 V123 M127 P140 M141 A145 G146 C147 L217 M236 | L63-L143 HydrophobicContact CD2-CD1 3.81Å; L66-L143 HydrophobicContact CD1-CD1 3.95Å; L66-L143 HydrophobicContact CD2-CD2 4.23Å; V123-L143 HydrophobicContact CG1-CD2 4.21Å; M127-L143 HydrophobicContact CE-CD2 4.14Å; M127-L143 HydrophobicContact SD-CD2 4.21Å; M127-L143 HydrophobicContact SD-CG 4.31Å; P140-L143 WeakPolarHBondContact O-CB 3.32Å; P140-L143 PolarHBondContact O-N 2.87Å; P140-L143 VanDerWaalsContact O-N 3.16Å; M141-L143 PolarHBondContact O-N 3.16Å; L143-A145 PolarHBondContact O-N 3.48Å; L143-G146 PolarHBondContact O-N 3.14Å; L143-G146 VanDerWaalsContact O-N 3.16Å; L143-C147 PolarHBondContact O-N 3.33Å; L143-L217 HydrophobicContact CD1-CD2 4.33Å; L143-M236 HydrophobicContact CB-SD 4.01Å |
| 144 | E | 96.2 | Very high | 96.3 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 29% | 0.29 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58 | -52.5 | -167.2 | -174.7 | 173.7 | -135.4 | 0 | 0 | 112.5 | M141 G146 C147 L148 A232 M236 | M141-E144 VanDerWaalsContact CE-OE2 3.25Å; M141-E144 WeakPolarHBondContact CE-OE2 3.22Å; M141-E144 VanDerWaalsContact O-CB 3.24Å; M141-E144 WeakPolarHBondContact O-CB 3.35Å; M141-E144 PolarHBondContact O-N 3Å; M141-E144 VanDerWaalsContact O-N 3.07Å; E144-G146 VanDerWaalsContact C-N 3.27Å; E144-G146 PolarHBondContact O-N 3.46Å; E144-C147 PolarHBondContact O-N 3.16Å; E144-L148 HydrophobicContact CG-CD1 3.72Å; E144-L148 HydrophobicContact CG-CG 4.13Å; E144-L148 WeakPolarHBondContact O-CB 3.35Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.24Å; E144-L148 PolarHBondContact O-N 2.89Å; E144-A232 WeakPolarHBondContact OE1-CB 3.48Å; E144-M236 HydrophobicContact CB-CE 4.06Å; E144-M236 HydrophobicContact CB-SD 4.35Å |
| 145 | A | 93.2 | Very high | 96.4 | Very high | 66 Ų | 66 | 49.7 Ų | 49.7 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L143 Q149 | L143-A145 PolarHBondContact O-N 3.48Å; A145-Q149 WeakPolarHBondContact O-CG 3.23Å; A145-Q149 PolarHBondContact O-N 3.26Å; A145-Q149 PolarHBondContact O-OE1 3.24Å |
| 146 | G | 94.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L143 E144 Q149 R153 | L143-G146 PolarHBondContact O-N 3.14Å; L143-G146 VanDerWaalsContact O-N 3.16Å; E144-G146 VanDerWaalsContact C-N 3.27Å; E144-G146 PolarHBondContact O-N 3.46Å; G146-Q149 PolarHBondContact O-N 3.19Å; G146-R153 WeakPolarHBondContact O-CD 3.41Å |
| 147 | C | 96.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.8 | -26.3 | -178.2 | -70.1 | 0 | 0 | 0 | 0 | 113.6 | L143 E144 Q149 F150 M236 T239 V240 | L143-C147 PolarHBondContact O-N 3.33Å; E144-C147 PolarHBondContact O-N 3.16Å; C147-Q149 VanDerWaalsContact C-N 3.32Å; C147-F150 WeakPolarHBondContact O-CB 3.45Å; C147-M236 HydrophobicContact CB-CB 3.71Å; C147-M236 HydrophobicContact CB-CG 3.57Å; C147-M236 HydrophobicContact CB-SD 3.69Å; C147-T239 WeakPolarHBondContact O-CG2 3.18Å; C147-V240 HydrophobicContact CB-CG2 4.49Å |
| 148 | L | 97.6 | Very high | 96.7 | Very high | 75 Ų | 75 | 43.4 Ų | 43.4 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -75.6 | -23.2 | 173.6 | -67.9 | -177.6 | 0 | 0 | 0 | 112.5 | E144 F150 A235 | E144-L148 HydrophobicContact CG-CD1 3.72Å; E144-L148 HydrophobicContact CG-CG 4.13Å; E144-L148 WeakPolarHBondContact O-CB 3.35Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.24Å; E144-L148 PolarHBondContact O-N 2.89Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-A235 HydrophobicContact CD2-CB 4.47Å |
| 149 | Q | 96.9 | Very high | 96.7 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 43% | 0.425 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 22.7 | 175.6 | -66.3 | 176.8 | -29.4 | 0 | 0 | 112.9 | A145 G146 C147 H151 E152 R153 | A145-Q149 WeakPolarHBondContact O-CG 3.23Å; A145-Q149 PolarHBondContact O-N 3.26Å; A145-Q149 PolarHBondContact O-OE1 3.24Å; G146-Q149 PolarHBondContact O-N 3.19Å; C147-Q149 VanDerWaalsContact C-N 3.32Å; Q149-H151 VanDerWaalsContact C-N 3.28Å; Q149-H151 PolarHBondContact O-N 3.35Å; Q149-E152 VanDerWaalsContact CA-OE2 3.24Å; Q149-E152 WeakPolarHBondContact CA-OE2 3.39Å; Q149-E152 PolarHBondContact O-N 2.69Å; Q149-R153 HydrophobicContact CB-CG 4.23Å; Q149-R153 WeakPolarHBondContact O-CB 3.18Å; Q149-R153 WeakPolarHBondContact O-CD 3.37Å; Q149-R153 WeakPolarHBondContact O-CG 3.34Å; Q149-R153 PolarHBondContact O-N 3.07Å |
| 150 | F | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -35.7 | -170.8 | -153.3 | -97.8 | 0 | 0 | 0 | 112.4 | C147 L148 F154 I210 Y213 T239 V240 F243 | C147-F150 WeakPolarHBondContact O-CB 3.45Å; L148-F150 VanDerWaalsContact C-N 3.32Å; F150-F154 AromaticContact CD1-CD2 3.94Å; F150-F154 HydrophobicContact CD1-CD2 3.94Å; F150-F154 AromaticContact CD2-CD2 3.59Å; F150-F154 HydrophobicContact CD2-CD2 3.59Å; F150-F154 AromaticContact CD2-CE2 3.65Å; F150-F154 HydrophobicContact CD2-CE2 3.65Å; F150-F154 HydrophobicContact CE1-CB 4.48Å; F150-F154 AromaticContact CE1-CD2 3.82Å; F150-F154 HydrophobicContact CE1-CD2 3.82Å; F150-F154 HydrophobicContact CE1-CG 4.42Å; F150-F154 AromaticContact CE2-CD2 3.46Å; F150-F154 HydrophobicContact CE2-CD2 3.46Å; F150-F154 VanDerWaalsContact CE2-CD2 3.46Å; F150-F154 AromaticContact CE2-CE2 3.34Å; F150-F154 HydrophobicContact CE2-CE2 3.34Å; F150-F154 HydrophobicContact CE2-CZ 4.42Å; F150-F154 AromaticContact CG-CD2 3.84Å; F150-F154 HydrophobicContact CG-CD2 3.84Å; F150-F154 HydrophobicContact CG-CE2 4.36Å; F150-F154 AromaticContact CZ-CD2 3.58Å; F150-F154 HydrophobicContact CZ-CD2 3.58Å; F150-F154 AromaticContact CZ-CE2 3.82Å; F150-F154 HydrophobicContact CZ-CE2 3.82Å; F150-F154 HydrophobicContact CZ-CG 4.36Å; F150-F154 PolarHBondContact O-N 3.2Å; F150-F154 VanDerWaalsContact O-N 3.07Å; F150-I210 HydrophobicContact CE1-CD1 3.58Å; F150-I210 HydrophobicContact CE1-CG1 4.34Å; F150-I210 HydrophobicContact CZ-CD1 3.59Å; F150-Y213 HydrophobicContact CE2-CD1 4.36Å; F150-Y213 AromaticContact CE2-CD2 4Å; F150-Y213 HydrophobicContact CE2-CD2 4Å; F150-Y213 HydrophobicContact CE2-CE2 4.27Å; F150-Y213 HydrophobicContact CE2-CG 4.02Å; F150-Y213 AromaticContact CZ-CD2 3.5Å; F150-Y213 HydrophobicContact CZ-CD2 3.5Å; F150-Y213 AromaticContact CZ-CE2 3.93Å; F150-Y213 HydrophobicContact CZ-CE2 3.93Å; F150-Y213 AromaticContact CZ-CG 3.88Å; F150-Y213 HydrophobicContact CZ-CG 3.88Å; F150-T239 HydrophobicContact CB-CG2 4.37Å; F150-V240 HydrophobicContact CB-CG2 4.31Å; F150-V240 HydrophobicContact CD1-CG1 4.33Å; F150-V240 HydrophobicContact CD1-CG2 4.28Å; F150-V240 HydrophobicContact CD2-CG2 3.76Å; F150-V240 HydrophobicContact CE1-CG1 3.99Å; F150-V240 HydrophobicContact CE2-CG1 4.41Å; F150-V240 HydrophobicContact CE2-CG2 4.07Å; F150-V240 HydrophobicContact CG-CG2 3.87Å; F150-V240 HydrophobicContact CZ-CG1 4.04Å; F150-V240 HydrophobicContact CZ-CG2 4.46Å; F150-F243 HydrophobicContact CD1-CB 3.8Å; F150-F243 AromaticContact CD1-CD1 3.4Å; F150-F243 HydrophobicContact CD1-CD1 3.4Å; F150-F243 HydrophobicContact CD1-CE1 4.08Å; F150-F243 AromaticContact CD1-CG 3.65Å; F150-F243 HydrophobicContact CD1-CG 3.65Å; F150-F243 HydrophobicContact CE1-CB 4.49Å; F150-F243 AromaticContact CE1-CD1 3.4Å; F150-F243 HydrophobicContact CE1-CD1 3.4Å; F150-F243 VanDerWaalsContact CE1-CD1 3.4Å; F150-F243 AromaticContact CE1-CE1 3.87Å; F150-F243 HydrophobicContact CE1-CE1 3.87Å; F150-F243 HydrophobicContact CE1-CG 4.15Å |
| 151 | H | 97.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 26% | 0.264 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -48 | 178.3 | -73.4 | 84.6 | 0 | 0 | 0 | 111.3 | Q149 T155 T239 F243 | Q149-H151 VanDerWaalsContact C-N 3.28Å; Q149-H151 PolarHBondContact O-N 3.35Å; H151-T155 WeakPolarHBondContact O-CG2 3.46Å; H151-T155 PolarHBondContact O-N 2.93Å; H151-T239 PolarHBondContact CE1-O 3.01Å; H151-F243 HydrophobicContact CB-CD2 4.32Å; H151-F243 AromaticContact CD2-CD2 3.73Å; H151-F243 WeakPolarHBondContact NE2-CA 3.32Å; H151-F243 PolarHBondContact NE2-N 2.78Å |
| 152 | E | 96.9 | Very high | 96.3 | Very high | 130 Ų | 130 | 44.1 Ų | 44.1 | 61% | 0.607 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.5 | -41.7 | -178.2 | -60.8 | 79.2 | -175.5 | 0 | 0 | 111.5 | Q149 | Q149-E152 VanDerWaalsContact CA-OE2 3.24Å; Q149-E152 WeakPolarHBondContact CA-OE2 3.39Å; Q149-E152 PolarHBondContact O-N 2.69Å |
| 153 | R | 97 | Very high | 96.1 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -40.8 | -176.6 | -72.9 | 172 | 177.6 | -73.8 | -5.8 | 112.5 | A115 E122 G146 Q149 | A115-R153 VanDerWaalsContact CB-O 3.29Å; A115-R153 WeakPolarHBondContact CB-O 3.44Å; E122-R153 IonicContact OE2-CZ 2.64Å; E122-R153 IonicContact OE2-NH1 3.92Å; E122-R153 PolarHBondContact OE2-NH1 3.42Å; E122-R153 IonicContact OE2-NH2 2.66Å; E122-R153 PolarHBondContact OE2-NH2 2.9Å; G146-R153 WeakPolarHBondContact O-CD 3.41Å; Q149-R153 HydrophobicContact CB-CG 4.23Å; Q149-R153 WeakPolarHBondContact O-CB 3.18Å; Q149-R153 WeakPolarHBondContact O-CD 3.37Å; Q149-R153 WeakPolarHBondContact O-CG 3.34Å; Q149-R153 PolarHBondContact O-N 3.07Å |
| 154 | F | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -109.2 | 14.8 | -170.4 | -66 | -67 | 0 | 0 | 0 | 114 | A115 H116 F119 F150 A156 Y157 I210 F243 | A115-F154 HydrophobicContact CB-CD1 3.97Å; A115-F154 HydrophobicContact CB-CE1 4.14Å; H116-F154 AromaticContact CD2-CE1 3.75Å; H116-F154 AromaticContact CE1-CE1 3.46Å; H116-F154 VanDerWaalsContact CE1-CE1 3.46Å; H116-F154 WeakPolarHBondContact CE1-CE1 3.41Å; H116-F154 AromaticContact CG-CE1 3.9Å; H116-F154 AromaticContact ND1-CE1 3.72Å; H116-F154 AromaticContact NE2-CD1 3.92Å; H116-F154 AromaticContact NE2-CE1 3.48Å; H116-F154 WeakPolarHBondContact NE2-CE1 3.34Å; F119-F154 HydrophobicContact CB-CZ 3.91Å; F119-F154 HydrophobicContact CD1-CZ 4.32Å; F119-F154 HydrophobicContact CD2-CE2 4.4Å; F119-F154 HydrophobicContact CD2-CZ 4.35Å; F119-F154 HydrophobicContact CG-CE2 4.43Å; F119-F154 AromaticContact CG-CZ 3.94Å; F119-F154 HydrophobicContact CG-CZ 3.94Å; F150-F154 AromaticContact CD1-CD2 3.94Å; F150-F154 HydrophobicContact CD1-CD2 3.94Å; F150-F154 AromaticContact CD2-CD2 3.59Å; F150-F154 HydrophobicContact CD2-CD2 3.59Å; F150-F154 AromaticContact CD2-CE2 3.65Å; F150-F154 HydrophobicContact CD2-CE2 3.65Å; F150-F154 HydrophobicContact CE1-CB 4.48Å; F150-F154 AromaticContact CE1-CD2 3.82Å; F150-F154 HydrophobicContact CE1-CD2 3.82Å; F150-F154 HydrophobicContact CE1-CG 4.42Å; F150-F154 AromaticContact CE2-CD2 3.46Å; F150-F154 HydrophobicContact CE2-CD2 3.46Å; F150-F154 VanDerWaalsContact CE2-CD2 3.46Å; F150-F154 AromaticContact CE2-CE2 3.34Å; F150-F154 HydrophobicContact CE2-CE2 3.34Å; F150-F154 HydrophobicContact CE2-CZ 4.42Å; F150-F154 AromaticContact CG-CD2 3.84Å; F150-F154 HydrophobicContact CG-CD2 3.84Å; F150-F154 HydrophobicContact CG-CE2 4.36Å; F150-F154 AromaticContact CZ-CD2 3.58Å; F150-F154 HydrophobicContact CZ-CD2 3.58Å; F150-F154 AromaticContact CZ-CE2 3.82Å; F150-F154 HydrophobicContact CZ-CE2 3.82Å; F150-F154 HydrophobicContact CZ-CG 4.36Å; F150-F154 PolarHBondContact O-N 3.2Å; F150-F154 VanDerWaalsContact O-N 3.07Å; F154-A156 PolarHBondContact O-N 3.31Å; F154-Y157 HydrophobicContact CB-CD2 3.88Å; F154-Y157 HydrophobicContact CB-CE2 4.43Å; F154-Y157 HydrophobicContact CD1-CD2 4.11Å; F154-Y157 AromaticContact CD1-CE2 3.82Å; F154-Y157 HydrophobicContact CD1-CE2 3.82Å; F154-Y157 HydrophobicContact CG-CD2 4.4Å; F154-Y157 HydrophobicContact CG-CE2 4.47Å; F154-Y157 WeakPolarHBondContact O-CB 3.26Å; F154-Y157 WeakPolarHBondContact O-CD2 3.48Å; F154-Y157 PolarHBondContact O-N 3.45Å; F154-I210 HydrophobicContact CB-CD1 4.2Å; F154-I210 HydrophobicContact CD1-CD1 4.46Å; F154-I210 HydrophobicContact CG-CD1 4.15Å; F154-F243 HydrophobicContact CB-CE1 3.9Å; F154-F243 HydrophobicContact CB-CE2 4.5Å; F154-F243 HydrophobicContact CB-CZ 3.75Å; F154-F243 VanDerWaalsContact O-CZ 3.25Å; F154-F243 WeakPolarHBondContact O-CZ 3.49Å |
| 155 | T | 97.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -34.6 | 178 | 56 | 0 | 0 | 0 | 0 | 114.8 | H151 Y157 H158 | H151-T155 WeakPolarHBondContact O-CG2 3.46Å; H151-T155 PolarHBondContact O-N 2.93Å; T155-Y157 PolarHBondContact O-N 3.09Å; T155-H158 PolarHBondContact O-CD2 3.47Å; T155-H158 PolarHBondContact O-N 3.37Å; T155-H158 VanDerWaalsContact O-N 3.1Å |
| 156 | A | 97.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 13% | 0.132 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.4 | -24.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N108 I112 F154 H158 H159 Y160 | N108-A156 PolarHBondContact ND2-O 3.45Å; I112-A156 HydrophobicContact CD1-CB 3.72Å; F154-A156 PolarHBondContact O-N 3.31Å; A156-H158 VanDerWaalsContact C-N 3.31Å; A156-H158 PolarHBondContact O-N 3.39Å; A156-H159 PolarHBondContact O-N 3.43Å; A156-Y160 PolarHBondContact O-N 3.13Å |
| 157 | Y | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -28.7 | 177.6 | -87.6 | -87.2 | 0 | 0 | 0 | 114 | Y73 I112 H116 F154 T155 H159 Y160 C161 P206 I210 | Y73-Y157 PolarHBondContact OH-OH 3.49Å; I112-Y157 HydrophobicContact CD1-CD1 4.16Å; I112-Y157 HydrophobicContact CD1-CD2 3.54Å; I112-Y157 HydrophobicContact CD1-CE1 4.27Å; I112-Y157 HydrophobicContact CD1-CE2 3.72Å; I112-Y157 HydrophobicContact CD1-CG 3.81Å; I112-Y157 HydrophobicContact CG2-CE2 3.85Å; H116-Y157 AromaticContact NE2-CE2 3.51Å; H116-Y157 AromaticContact NE2-CZ 3.66Å; H116-Y157 PolarHBondContact NE2-OH 3Å; F154-Y157 HydrophobicContact CB-CD2 3.88Å; F154-Y157 HydrophobicContact CB-CE2 4.43Å; F154-Y157 HydrophobicContact CD1-CD2 4.11Å; F154-Y157 AromaticContact CD1-CE2 3.82Å; F154-Y157 HydrophobicContact CD1-CE2 3.82Å; F154-Y157 HydrophobicContact CG-CD2 4.4Å; F154-Y157 HydrophobicContact CG-CE2 4.47Å; F154-Y157 WeakPolarHBondContact O-CB 3.26Å; F154-Y157 WeakPolarHBondContact O-CD2 3.48Å; F154-Y157 PolarHBondContact O-N 3.45Å; T155-Y157 PolarHBondContact O-N 3.09Å; Y157-H159 VanDerWaalsContact C-N 3.31Å; Y157-H159 PolarHBondContact O-N 2.9Å; Y157-Y160 PolarHBondContact O-N 2.94Å; Y157-C161 WeakPolarHBondContact O-CB 3.09Å; Y157-C161 PolarHBondContact O-N 3.17Å; Y157-C161 PolarHBondContact O-SG 3.47Å; Y157-P206 HydrophobicContact CE1-CB 3.71Å; Y157-P206 VanDerWaalsContact CE1-O 3.26Å; Y157-P206 WeakPolarHBondContact CE1-O 3.1Å; Y157-P206 PolarHBondContact OH-O 2.93Å; Y157-I210 HydrophobicContact CD1-CB 3.84Å; Y157-I210 HydrophobicContact CD1-CD1 4.44Å; Y157-I210 HydrophobicContact CD1-CG1 4Å; Y157-I210 HydrophobicContact CD1-CG2 3.87Å; Y157-I210 HydrophobicContact CD2-CD1 3.87Å; Y157-I210 HydrophobicContact CD2-CG1 4.28Å; Y157-I210 HydrophobicContact CE1-CB 3.52Å; Y157-I210 HydrophobicContact CE1-CD1 4.33Å; Y157-I210 HydrophobicContact CE1-CG1 4.07Å; Y157-I210 HydrophobicContact CE1-CG2 3.8Å; Y157-I210 HydrophobicContact CE2-CB 4.43Å; Y157-I210 HydrophobicContact CE2-CD1 3.73Å; Y157-I210 HydrophobicContact CE2-CG1 4.32Å; Y157-I210 HydrophobicContact CG-CB 4.42Å; Y157-I210 HydrophobicContact CG-CD1 4.2Å; Y157-I210 HydrophobicContact CG-CG1 4.09Å |
| 158 | H | 96.1 | Very high | 95.1 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 174.8 | -74.8 | -74.9 | 0 | 0 | 0 | 111.4 | T155 A156 W162 F243 S246 F250 | T155-H158 PolarHBondContact O-CD2 3.47Å; T155-H158 PolarHBondContact O-N 3.37Å; T155-H158 VanDerWaalsContact O-N 3.1Å; A156-H158 VanDerWaalsContact C-N 3.31Å; A156-H158 PolarHBondContact O-N 3.39Å; H158-W162 VanDerWaalsContact O-CB 3.22Å; H158-W162 WeakPolarHBondContact O-CB 3.43Å; H158-W162 PolarHBondContact O-N 3.3Å; H158-F243 AromaticContact NE2-CE2 3.91Å; H158-S246 VanDerWaalsContact CE1-C 3.43Å; H158-S246 PolarHBondContact CE1-O 3.41Å; H158-S246 PolarHBondContact CE1-OG 3.4Å; H158-S246 VanDerWaalsContact CE1-OG 3.22Å; H158-F250 HydrophobicContact CB-CD1 3.72Å; H158-F250 HydrophobicContact CB-CD2 4.3Å; H158-F250 HydrophobicContact CB-CE1 3.88Å; H158-F250 HydrophobicContact CB-CE2 4.44Å; H158-F250 HydrophobicContact CB-CG 3.93Å; H158-F250 HydrophobicContact CB-CZ 4.23Å; H158-F250 WeakPolarHBondContact ND1-CB 3.46Å; H158-F250 AromaticContact ND1-CG 3.54Å; H158-F250 WeakPolarHBondContact O-CD1 3.36Å; H158-F250 WeakPolarHBondContact O-CE1 3.37Å |
| 159 | H | 95.7 | Very high | 95 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 41% | 0.412 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -71.7 | -40.3 | 178.8 | -177.8 | -82.2 | 0 | 0 | 0 | 112.1 | S107 N108 A156 Y157 W162 E163 | S107-H159 PolarHBondContact OG-CE1 3.44Å; S107-H159 PolarHBondContact OG-ND1 3.28Å; N108-H159 PolarHBondContact OD1-ND1 2.87Å; N108-H159 VanDerWaalsContact OD1-ND1 3.13Å; A156-H159 PolarHBondContact O-N 3.43Å; Y157-H159 VanDerWaalsContact C-N 3.31Å; Y157-H159 PolarHBondContact O-N 2.9Å; H159-W162 PolarHBondContact O-N 3.24Å; H159-E163 PolarHBondContact O-N 3.16Å; H159-E163 VanDerWaalsContact O-N 3.13Å |
| 160 | Y | 96.4 | Very high | 95 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -49.8 | -179 | -169 | -82.5 | 0 | 0 | 0 | 111.7 | F106 N108 L109 I112 A156 Y157 W162 E163 E164 Q203 P206 | F106-Y160 VanDerWaalsContact O-CE2 3.31Å; F106-Y160 WeakPolarHBondContact O-CE2 3.29Å; N108-Y160 WeakPolarHBondContact OD1-CA 3.45Å; N108-Y160 WeakPolarHBondContact OD1-CB 3.41Å; N108-Y160 PolarHBondContact OD1-N 2.93Å; L109-Y160 HydrophobicContact CB-CE2 4.28Å; L109-Y160 HydrophobicContact CD1-CE2 3.8Å; I112-Y160 HydrophobicContact CG1-CD2 4.06Å; I112-Y160 HydrophobicContact CG1-CG 4.34Å; A156-Y160 PolarHBondContact O-N 3.13Å; Y157-Y160 PolarHBondContact O-N 2.94Å; Y160-W162 VanDerWaalsContact C-N 3.32Å; Y160-W162 PolarHBondContact O-N 2.93Å; Y160-E163 PolarHBondContact O-N 3.36Å; Y160-E164 PolarHBondContact O-N 3.03Å; Y160-E164 VanDerWaalsContact O-N 3.09Å; Y160-Q203 PolarHBondContact OH-O 3.3Å; Y160-P206 HydrophobicContact CD1-CB 3.82Å; Y160-P206 HydrophobicContact CD1-CG 4.26Å; Y160-P206 HydrophobicContact CE1-CB 3.62Å; Y160-P206 HydrophobicContact CE1-CG 3.65Å; Y160-P206 HydrophobicContact CE2-CB 4.47Å; Y160-P206 HydrophobicContact CE2-CG 3.94Å; Y160-P206 HydrophobicContact CG-CB 4.36Å; Y160-P206 VanDerWaalsContact CZ-CG 3.47Å |
| 161 | C | 93.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -33 | -179.9 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | Y157 E164 I247 M251 | Y157-C161 WeakPolarHBondContact O-CB 3.09Å; Y157-C161 PolarHBondContact O-N 3.17Å; Y157-C161 PolarHBondContact O-SG 3.47Å; C161-E164 PolarHBondContact O-N 3.25Å; C161-I247 HydrophobicContact CB-CG2 3.71Å; C161-M251 HydrophobicContact CB-SD 4.18Å |
| 162 | W | 91.3 | Very high | 94.9 | Very high | 45 Ų | 45 | 51.5 Ų | 51.5 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.2 | 169.7 | -107.5 | 0 | 0 | 0 | 112.8 | H158 H159 Y160 F250 M251 K254 D255 | H158-W162 VanDerWaalsContact O-CB 3.22Å; H158-W162 WeakPolarHBondContact O-CB 3.43Å; H158-W162 PolarHBondContact O-N 3.3Å; H159-W162 PolarHBondContact O-N 3.24Å; Y160-W162 VanDerWaalsContact C-N 3.32Å; Y160-W162 PolarHBondContact O-N 2.93Å; W162-F250 HydrophobicContact CB-CD1 4.41Å; W162-F250 HydrophobicContact CB-CE1 3.99Å; W162-F250 HydrophobicContact CG-CE1 4.34Å; W162-M251 HydrophobicContact CE3-CB 4.35Å; W162-M251 HydrophobicContact CE3-CG 4.42Å; W162-K254 HydrophobicContact CD2-CB 3.62Å; W162-K254 HydrophobicContact CD2-CG 3.88Å; W162-K254 HydrophobicContact CE3-CB 3.43Å; W162-K254 VanDerWaalsContact CE3-CB 3.43Å; W162-K254 HydrophobicContact CE3-CG 4.09Å; W162-K254 HydrophobicContact CG-CG 4.32Å; W162-K254 HydrophobicContact CH2-CB 3.45Å; W162-K254 VanDerWaalsContact CH2-CB 3.45Å; W162-K254 HydrophobicContact CZ2-CB 3.64Å; W162-K254 HydrophobicContact CZ2-CG 4.45Å; W162-K254 HydrophobicContact CZ3-CB 3.34Å; W162-K254 HydrophobicContact CZ3-CG 4.45Å; W162-D255 WeakPolarHBondContact CH2-OD1 3.4Å; W162-D255 WeakPolarHBondContact CZ3-OD1 3.37Å |
| 163 | E | 92.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -86.7 | -2.8 | -179.3 | -67 | -60.4 | 147.1 | 0 | 0 | 113.8 | H159 Y160 E165 N166 N167 | H159-E163 PolarHBondContact O-N 3.16Å; H159-E163 VanDerWaalsContact O-N 3.13Å; Y160-E163 PolarHBondContact O-N 3.36Å; E163-E165 PolarHBondContact O-N 3.43Å; E163-N166 PolarHBondContact O-N 3.44Å; E163-N166 PolarHBondContact OE2-ND2 3.06Å; E163-N167 WeakPolarHBondContact O-CB 3.46Å; E163-N167 VanDerWaalsContact O-CG 3.27Å; E163-N167 PolarHBondContact O-N 2.94Å; E163-N167 PolarHBondContact O-OD1 3.35Å |
| 164 | E | 89.5 | Confident | 94.8 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 16% | 0.159 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.8 | -48.7 | -173.2 | -177.8 | 169.3 | -147.7 | 0 | 0 | 111.9 | Y160 C161 N167 L168 H207 | Y160-E164 PolarHBondContact O-N 3.03Å; Y160-E164 VanDerWaalsContact O-N 3.09Å; C161-E164 PolarHBondContact O-N 3.25Å; E164-N167 PolarHBondContact O-N 3.15Å; E164-L168 HydrophobicContact CG-CD1 4.15Å; E164-L168 VanDerWaalsContact O-CG 3.28Å; E164-L168 WeakPolarHBondContact O-CG 3.39Å; E164-L168 PolarHBondContact O-N 2.89Å; E164-H207 WeakPolarHBondContact OE1-CB 3.38Å; E164-H207 IonicContact OE2-CE1 3.2Å; E164-H207 IonicContact OE2-CG 2.97Å; E164-H207 IonicContact OE2-ND1 3.87Å; E164-H207 PolarHBondContact OE2-ND1 3.07Å |
| 165 | E | 88.8 | Confident | 94.7 | Very high | 158 Ų | 158 | 52.9 Ų | 52.9 | 74% | 0.738 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 179.8 | -173.9 | 172.5 | -168.7 | 0 | 0 | 112 | E163 N167 L168 E169 | E163-E165 PolarHBondContact O-N 3.43Å; E165-N167 VanDerWaalsContact C-N 3.32Å; E165-N167 PolarHBondContact O-N 3.34Å; E165-L168 PolarHBondContact O-N 2.91Å; E165-E169 WeakPolarHBondContact O-CB 3.32Å; E165-E169 PolarHBondContact O-N 2.8Å |
| 166 | N | 91.3 | Very high | 94.6 | Very high | 88 Ų | 88 | 55.3 Ų | 55.3 | 47% | 0.471 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 176.9 | -70.5 | -25.6 | 0 | 0 | 0 | 111.6 | E163 E169 F170 | E163-N166 PolarHBondContact O-N 3.44Å; E163-N166 PolarHBondContact OE2-ND2 3.06Å; N166-E169 PolarHBondContact O-N 3.07Å; N166-F170 VanDerWaalsContact O-CB 3.29Å; N166-F170 WeakPolarHBondContact O-CB 3.35Å; N166-F170 PolarHBondContact O-N 3.05Å |
| 167 | N | 94.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.064 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -39.5 | -179.7 | -73.9 | 15.5 | 0 | 0 | 0 | 112 | N103 Q104 S107 E163 E164 E165 F170 T171 | N103-N167 PolarHBondContact O-ND2 3.3Å; Q104-N167 WeakPolarHBondContact O-CA 3.46Å; Q104-N167 WeakPolarHBondContact O-CB 3.5Å; Q104-N167 PolarHBondContact O-OD1 3.45Å; S107-N167 WeakPolarHBondContact CB-ND2 3.28Å; S107-N167 PolarHBondContact N-ND2 3.01Å; E163-N167 WeakPolarHBondContact O-CB 3.46Å; E163-N167 VanDerWaalsContact O-CG 3.27Å; E163-N167 PolarHBondContact O-N 2.94Å; E163-N167 PolarHBondContact O-OD1 3.35Å; E164-N167 PolarHBondContact O-N 3.15Å; E165-N167 VanDerWaalsContact C-N 3.32Å; E165-N167 PolarHBondContact O-N 3.34Å; N167-F170 PolarHBondContact O-N 3.46Å; N167-T171 WeakPolarHBondContact O-CB 3.2Å; N167-T171 PolarHBondContact O-N 3.47Å; N167-T171 PolarHBondContact O-OG1 3.19Å; N167-T171 VanDerWaalsContact O-OG1 3.07Å |
| 168 | L | 93.8 | Very high | 94.4 | Very high | 72 Ų | 72 | 59.3 Ų | 59.3 | 38% | 0.377 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 175.2 | -72.5 | 171.9 | 0 | 0 | 0 | 111.2 | E164 E165 T171 R172 Q203 | E164-L168 HydrophobicContact CG-CD1 4.15Å; E164-L168 VanDerWaalsContact O-CG 3.28Å; E164-L168 WeakPolarHBondContact O-CG 3.39Å; E164-L168 PolarHBondContact O-N 2.89Å; E165-L168 PolarHBondContact O-N 2.91Å; L168-T171 PolarHBondContact O-N 3.24Å; L168-R172 WeakPolarHBondContact O-CB 3.35Å; L168-R172 PolarHBondContact O-N 2.67Å; L168-Q203 HydrophobicContact CD2-CB 4.11Å |
| 169 | E | 94.6 | Very high | 94.3 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 33% | 0.327 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 178.1 | 179 | 61 | -174.9 | 0 | 0 | 111.8 | E165 N166 R172 K173 | E165-E169 WeakPolarHBondContact O-CB 3.32Å; E165-E169 PolarHBondContact O-N 2.8Å; N166-E169 PolarHBondContact O-N 3.07Å; E169-R172 VanDerWaalsContact CD-NH2 3.31Å; E169-R172 PolarHBondContact O-N 2.92Å; E169-R172 IonicContact OE1-CZ 2.77Å; E169-R172 IonicContact OE1-NE 3.49Å; E169-R172 IonicContact OE1-NH2 3.6Å; E169-R172 PolarHBondContact OE1-NH2 3.24Å; E169-R172 IonicContact OE2-CZ 3.04Å; E169-R172 IonicContact OE2-NE 3.61Å; E169-R172 PolarHBondContact OE2-NE 3.15Å; E169-R172 IonicContact OE2-NH2 2.84Å; E169-R172 PolarHBondContact OE2-NH2 2.91Å; E169-K173 WeakPolarHBondContact O-CG 3.46Å; E169-K173 PolarHBondContact O-N 3.31Å; E169-K173 WeakPolarHBondContact OE1-CE 3.4Å; E169-K173 IonicContact OE1-NZ 3.88Å |
| 170 | F | 96.6 | Very high | 94.3 | Very high | 38 Ų | 38 | 62.1 Ų | 62.1 | 17% | 0.167 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 172.9 | 176.7 | -94.9 | 0 | 0 | 0 | 111.5 | V100 Q104 L105 N166 N167 R172 K173 Q174 | V100-F170 HydrophobicContact CG1-CE1 4.15Å; V100-F170 HydrophobicContact CG2-CZ 4.43Å; Q104-F170 HydrophobicContact CB-CD1 3.71Å; Q104-F170 HydrophobicContact CB-CE1 3.62Å; Q104-F170 HydrophobicContact CB-CE2 4.5Å; Q104-F170 HydrophobicContact CB-CG 4.2Å; Q104-F170 HydrophobicContact CB-CZ 4.04Å; L105-F170 HydrophobicContact CD2-CD1 4.06Å; L105-F170 HydrophobicContact CD2-CE1 4.06Å; N166-F170 VanDerWaalsContact O-CB 3.29Å; N166-F170 WeakPolarHBondContact O-CB 3.35Å; N166-F170 PolarHBondContact O-N 3.05Å; N167-F170 PolarHBondContact O-N 3.46Å; F170-R172 VanDerWaalsContact C-N 3.32Å; F170-R172 PolarHBondContact O-N 3.46Å; F170-K173 PolarHBondContact O-N 3.04Å; F170-Q174 HydrophobicContact CD1-CG 4.21Å; F170-Q174 HydrophobicContact CD2-CG 4.45Å; F170-Q174 HydrophobicContact CE1-CG 3.76Å; F170-Q174 HydrophobicContact CE2-CG 4.02Å; F170-Q174 HydrophobicContact CZ-CG 3.65Å; F170-Q174 WeakPolarHBondContact O-CG 3.25Å; F170-Q174 PolarHBondContact O-N 3.41Å |
| 171 | T | 96.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.7 | -47.8 | 176 | -68.6 | 0 | 0 | 0 | 0 | 110.9 | L105 N167 L168 K173 Q174 M175 F181 L199 Q203 | L105-T171 VanDerWaalsContact CD2-OG1 3.3Å; L105-T171 WeakPolarHBondContact CD2-OG1 3.08Å; N167-T171 WeakPolarHBondContact O-CB 3.2Å; N167-T171 PolarHBondContact O-N 3.47Å; N167-T171 PolarHBondContact O-OG1 3.19Å; N167-T171 VanDerWaalsContact O-OG1 3.07Å; L168-T171 PolarHBondContact O-N 3.24Å; T171-K173 PolarHBondContact O-N 3.17Å; T171-Q174 PolarHBondContact O-N 3.12Å; T171-M175 HydrophobicContact CG2-CG 4.3Å; T171-M175 HydrophobicContact CG2-SD 3.97Å; T171-M175 VanDerWaalsContact O-CG 3.32Å; T171-M175 WeakPolarHBondContact O-CG 3.25Å; T171-M175 PolarHBondContact O-N 2.91Å; T171-F181 HydrophobicContact CG2-CE1 4.29Å; T171-L199 HydrophobicContact CG2-CD2 3.54Å; T171-L199 HydrophobicContact CG2-CG 4.29Å; T171-Q203 PolarHBondContact OG1-NE2 2.79Å |
| 172 | R | 96.1 | Very high | 94.4 | Very high | 103 Ų | 103 | 64.7 Ų | 64.7 | 39% | 0.389 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58 | -50.6 | 179 | -171.9 | -169.7 | 67.6 | 75.1 | 1.9 | 111.4 | L168 E169 F170 Q174 M175 E176 | L168-R172 WeakPolarHBondContact O-CB 3.35Å; L168-R172 PolarHBondContact O-N 2.67Å; E169-R172 VanDerWaalsContact CD-NH2 3.31Å; E169-R172 PolarHBondContact O-N 2.92Å; E169-R172 IonicContact OE1-CZ 2.77Å; E169-R172 IonicContact OE1-NE 3.49Å; E169-R172 IonicContact OE1-NH2 3.6Å; E169-R172 PolarHBondContact OE1-NH2 3.24Å; E169-R172 IonicContact OE2-CZ 3.04Å; E169-R172 IonicContact OE2-NE 3.61Å; E169-R172 PolarHBondContact OE2-NE 3.15Å; E169-R172 IonicContact OE2-NH2 2.84Å; E169-R172 PolarHBondContact OE2-NH2 2.91Å; F170-R172 VanDerWaalsContact C-N 3.32Å; F170-R172 PolarHBondContact O-N 3.46Å; R172-Q174 VanDerWaalsContact C-N 3.32Å; R172-Q174 PolarHBondContact O-N 3.05Å; R172-M175 PolarHBondContact O-N 3.07Å; R172-E176 IonicContact CZ-OE1 3.86Å; R172-E176 IonicContact CZ-OE2 2.69Å; R172-E176 IonicContact NH1-OE1 3.43Å; R172-E176 PolarHBondContact NH1-OE1 2.69Å; R172-E176 IonicContact NH1-OE2 3.66Å; R172-E176 PolarHBondContact NH1-OE2 3.49Å; R172-E176 WeakPolarHBondContact O-CG 3.37Å; R172-E176 PolarHBondContact O-N 3.35Å |
| 173 | K | 96.3 | Very high | 94.6 | Very high | 108 Ų | 108 | 64 Ų | 64 | 47% | 0.47 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 177.3 | -74.1 | -179.6 | -171.6 | 171.9 | 0 | 112.2 | E169 F170 T171 E176 S177 | E169-K173 WeakPolarHBondContact O-CG 3.46Å; E169-K173 PolarHBondContact O-N 3.31Å; E169-K173 WeakPolarHBondContact OE1-CE 3.4Å; E169-K173 IonicContact OE1-NZ 3.88Å; F170-K173 PolarHBondContact O-N 3.04Å; T171-K173 PolarHBondContact O-N 3.17Å; K173-E176 PolarHBondContact O-N 3.3Å; K173-S177 WeakPolarHBondContact O-CB 3.24Å; K173-S177 PolarHBondContact O-N 3Å; K173-S177 PolarHBondContact O-OG 3.05Å |
| 174 | Q | 96.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 61.9 Ų | 61.9 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.4 | -40 | 178 | -69.1 | -61.3 | -36.1 | 0 | 0 | 111.5 | V100 F170 T171 R172 E176 S177 N178 F181 | V100-Q174 HydrophobicContact CG2-CG 4.11Å; F170-Q174 HydrophobicContact CD1-CG 4.21Å; F170-Q174 HydrophobicContact CD2-CG 4.45Å; F170-Q174 HydrophobicContact CE1-CG 3.76Å; F170-Q174 HydrophobicContact CE2-CG 4.02Å; F170-Q174 HydrophobicContact CZ-CG 3.65Å; F170-Q174 WeakPolarHBondContact O-CG 3.25Å; F170-Q174 PolarHBondContact O-N 3.41Å; T171-Q174 PolarHBondContact O-N 3.12Å; R172-Q174 VanDerWaalsContact C-N 3.32Å; R172-Q174 PolarHBondContact O-N 3.05Å; Q174-E176 VanDerWaalsContact C-N 3.26Å; Q174-E176 PolarHBondContact O-N 3.31Å; Q174-S177 PolarHBondContact O-N 3.05Å; Q174-N178 WeakPolarHBondContact O-CA 3.29Å; Q174-N178 WeakPolarHBondContact O-CB 3.41Å; Q174-N178 PolarHBondContact O-N 3.4Å; Q174-N178 PolarHBondContact OE1-ND2 3.47Å; Q174-F181 HydrophobicContact CB-CD1 3.37Å; Q174-F181 HydrophobicContact CB-CE1 3.67Å; Q174-F181 HydrophobicContact CB-CG 4.03Å |
| 175 | M | 95.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -33.3 | 176.3 | -72 | -176.5 | 69.9 | 0 | 0 | 112.8 | T171 R172 F181 L182 V185 | T171-M175 HydrophobicContact CG2-CG 4.3Å; T171-M175 HydrophobicContact CG2-SD 3.97Å; T171-M175 VanDerWaalsContact O-CG 3.32Å; T171-M175 WeakPolarHBondContact O-CG 3.25Å; T171-M175 PolarHBondContact O-N 2.91Å; R172-M175 PolarHBondContact O-N 3.07Å; M175-F181 HydrophobicContact CG-CD1 4.01Å; M175-F181 HydrophobicContact CG-CE1 3.78Å; M175-L182 HydrophobicContact CE-CD1 4.05Å; M175-V185 HydrophobicContact CE-CG1 4.18Å |
| 176 | E | 95.2 | Very high | 95.4 | Very high | 131 Ų | 131 | 57.8 Ų | 57.8 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -79.2 | -41.2 | 178.5 | -72.3 | 170.2 | -171.2 | 0 | 0 | 113 | R172 K173 Q174 | R172-E176 IonicContact CZ-OE1 3.86Å; R172-E176 IonicContact CZ-OE2 2.69Å; R172-E176 IonicContact NH1-OE1 3.43Å; R172-E176 PolarHBondContact NH1-OE1 2.69Å; R172-E176 IonicContact NH1-OE2 3.66Å; R172-E176 PolarHBondContact NH1-OE2 3.49Å; R172-E176 WeakPolarHBondContact O-CG 3.37Å; R172-E176 PolarHBondContact O-N 3.35Å; K173-E176 PolarHBondContact O-N 3.3Å; Q174-E176 VanDerWaalsContact C-N 3.26Å; Q174-E176 PolarHBondContact O-N 3.31Å |
| 177 | S | 95.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 56 Ų | 56 | 60% | 0.601 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -99.9 | -17.6 | -170.1 | 62.3 | 0 | 0 | 0 | 0 | 114.7 | K173 Q174 P179 | K173-S177 WeakPolarHBondContact O-CB 3.24Å; K173-S177 PolarHBondContact O-N 3Å; K173-S177 PolarHBondContact O-OG 3.05Å; Q174-S177 PolarHBondContact O-N 3.05Å; S177-P179 WeakPolarHBondContact O-CD 3.49Å |
| 178 | N | 95.6 | Very high | 95.5 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | trans | -121.5 | 97.8 | -172.1 | -172.9 | -18.2 | 0 | 0 | 0 | 111.9 | E99 Q174 H180 F181 L182 | E99-N178 PolarHBondContact OE1-ND2 2.89Å; Q174-N178 WeakPolarHBondContact O-CA 3.29Å; Q174-N178 WeakPolarHBondContact O-CB 3.41Å; Q174-N178 PolarHBondContact O-N 3.4Å; Q174-N178 PolarHBondContact OE1-ND2 3.47Å; N178-H180 PolarHBondContact O-N 3.46Å; N178-H180 WeakPolarHBondContact OD1-CB 3.36Å; N178-H180 PolarHBondContact OD1-N 2.9Å; N178-H180 VanDerWaalsContact OD1-N 3.1Å; N178-F181 HydrophobicContact CB-CB 3.88Å; N178-F181 PolarHBondContact O-N 3.25Å; N178-F181 VanDerWaalsContact O-N 3.15Å; N178-F181 PolarHBondContact OD1-N 2.88Å; N178-F181 VanDerWaalsContact OD1-N 3.11Å; N178-L182 PolarHBondContact O-N 3.21Å | ||
| 179 | P | 95.2 | Very high | 95.5 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.2 | -29.5 | 179.5 | -24.7 | 34.4 | 0 | 0 | 0 | 114.3 | S177 A183 | S177-P179 WeakPolarHBondContact O-CD 3.49Å; P179-A183 PolarHBondContact O-N 3.38Å |
| 180 | H | 94.4 | Very high | 95.4 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.9 | -42 | 176.9 | -65.8 | -63.9 | 0 | 0 | 0 | 110.8 | L6 L97 N178 A183 F184 | L6-H180 WeakPolarHBondContact CD1-ND1 3.44Å; L97-H180 HydrophobicContact CD2-CB 3.81Å; N178-H180 PolarHBondContact O-N 3.46Å; N178-H180 WeakPolarHBondContact OD1-CB 3.36Å; N178-H180 PolarHBondContact OD1-N 2.9Å; N178-H180 VanDerWaalsContact OD1-N 3.1Å; H180-A183 PolarHBondContact O-N 2.93Å; H180-F184 PolarHBondContact O-N 2.94Å |
| 181 | F | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.5 | -176.7 | -113.6 | 0 | 0 | 0 | 111 | L97 V100 L105 T171 Q174 M175 N178 A183 F184 V185 L199 | L97-F181 HydrophobicContact CD2-CB 3.96Å; V100-F181 HydrophobicContact CB-CD2 4.39Å; V100-F181 HydrophobicContact CG1-CD2 3.98Å; V100-F181 HydrophobicContact CG1-CE2 3.68Å; V100-F181 HydrophobicContact CG1-CZ 4.38Å; V100-F181 HydrophobicContact CG2-CD2 3.91Å; V100-F181 HydrophobicContact CG2-CE2 4.39Å; V100-F181 HydrophobicContact CG2-CG 4.26Å; L105-F181 HydrophobicContact CD1-CE2 3.97Å; L105-F181 HydrophobicContact CD1-CZ 4.16Å; L105-F181 HydrophobicContact CD2-CE2 4.2Å; L105-F181 HydrophobicContact CD2-CZ 3.7Å; T171-F181 HydrophobicContact CG2-CE1 4.29Å; Q174-F181 HydrophobicContact CB-CD1 3.37Å; Q174-F181 HydrophobicContact CB-CE1 3.67Å; Q174-F181 HydrophobicContact CB-CG 4.03Å; M175-F181 HydrophobicContact CG-CD1 4.01Å; M175-F181 HydrophobicContact CG-CE1 3.78Å; N178-F181 HydrophobicContact CB-CB 3.88Å; N178-F181 PolarHBondContact O-N 3.25Å; N178-F181 VanDerWaalsContact O-N 3.15Å; N178-F181 PolarHBondContact OD1-N 2.88Å; N178-F181 VanDerWaalsContact OD1-N 3.11Å; F181-A183 VanDerWaalsContact C-N 3.3Å; F181-A183 PolarHBondContact O-N 2.91Å; F181-F184 HydrophobicContact CD2-CD1 4.07Å; F181-F184 AromaticContact CE2-CD1 3.97Å; F181-F184 HydrophobicContact CE2-CD1 3.97Å; F181-F184 HydrophobicContact CE2-CE1 4.36Å; F181-F184 WeakPolarHBondContact O-CB 3.5Å; F181-F184 PolarHBondContact O-N 3.37Å; F181-F184 VanDerWaalsContact O-N 3.11Å; F181-V185 HydrophobicContact CD1-CG2 4.14Å; F181-V185 HydrophobicContact CD2-CG2 4.41Å; F181-V185 HydrophobicContact CE1-CG2 3.77Å; F181-V185 HydrophobicContact CE2-CG2 4Å; F181-V185 HydrophobicContact CG-CG2 4.47Å; F181-V185 HydrophobicContact CZ-CG2 3.69Å; F181-V185 WeakPolarHBondContact O-CG2 3.43Å; F181-V185 PolarHBondContact O-N 3.36Å; F181-L199 HydrophobicContact CZ-CD2 3.96Å |
| 182 | L | 96.6 | Very high | 94.8 | Very high | 62 Ų | 62 | 61.3 Ų | 61.3 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57 | -43.4 | 174.8 | -178.7 | 62.5 | 0 | 0 | 0 | 112.2 | M175 N178 V185 Q186 | M175-L182 HydrophobicContact CE-CD1 4.05Å; N178-L182 PolarHBondContact O-N 3.21Å; L182-V185 PolarHBondContact O-N 3.38Å; L182-Q186 WeakPolarHBondContact O-CG 3.31Å; L182-Q186 PolarHBondContact O-N 3.31Å |
| 183 | A | 95.9 | Very high | 94.3 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P179 H180 F181 Q186 W187 | P179-A183 PolarHBondContact O-N 3.38Å; H180-A183 PolarHBondContact O-N 2.93Å; F181-A183 VanDerWaalsContact C-N 3.3Å; F181-A183 PolarHBondContact O-N 2.91Å; A183-Q186 PolarHBondContact O-N 3.44Å; A183-W187 PolarHBondContact O-N 3.31Å |
| 184 | F | 96.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 173.6 | 167.8 | -101.5 | 0 | 0 | 0 | 111.7 | V84 A87 L88 L91 L97 H180 F181 Q186 W187 V188 | V84-F184 HydrophobicContact CG1-CE1 4.14Å; V84-F184 HydrophobicContact CG1-CZ 4Å; A87-F184 HydrophobicContact CB-CE2 3.97Å; L88-F184 HydrophobicContact CB-CZ 3.99Å; L91-F184 HydrophobicContact CD1-CD2 3.62Å; L91-F184 HydrophobicContact CD1-CE2 4.03Å; L91-F184 HydrophobicContact CD1-CG 4.45Å; L97-F184 HydrophobicContact CD1-CB 3.77Å; L97-F184 HydrophobicContact CD1-CD1 4.43Å; L97-F184 HydrophobicContact CD1-CD2 4.5Å; L97-F184 HydrophobicContact CD1-CG 3.99Å; H180-F184 PolarHBondContact O-N 2.94Å; F181-F184 HydrophobicContact CD2-CD1 4.07Å; F181-F184 AromaticContact CE2-CD1 3.97Å; F181-F184 HydrophobicContact CE2-CD1 3.97Å; F181-F184 HydrophobicContact CE2-CE1 4.36Å; F181-F184 WeakPolarHBondContact O-CB 3.5Å; F181-F184 PolarHBondContact O-N 3.37Å; F181-F184 VanDerWaalsContact O-N 3.11Å; F184-Q186 VanDerWaalsContact C-N 3.35Å; F184-Q186 PolarHBondContact O-N 3.24Å; F184-W187 HydrophobicContact CE2-CE3 4.47Å; F184-W187 WeakPolarHBondContact O-CB 3.49Å; F184-W187 PolarHBondContact O-N 2.91Å; F184-W187 VanDerWaalsContact O-N 3.1Å; F184-V188 HydrophobicContact CD1-CG2 4.45Å; F184-V188 HydrophobicContact CD2-CG2 4.3Å; F184-V188 HydrophobicContact CE1-CG2 4Å; F184-V188 HydrophobicContact CE2-CG2 3.84Å; F184-V188 HydrophobicContact CZ-CG2 3.67Å; F184-V188 WeakPolarHBondContact O-CG2 3.39Å; F184-V188 PolarHBondContact O-N 2.85Å |
| 185 | V | 95.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 177 | 175 | 0 | 0 | 0 | 0 | 110.8 | M175 F181 L182 W187 V188 E189 L199 | M175-V185 HydrophobicContact CE-CG1 4.18Å; F181-V185 HydrophobicContact CD1-CG2 4.14Å; F181-V185 HydrophobicContact CD2-CG2 4.41Å; F181-V185 HydrophobicContact CE1-CG2 3.77Å; F181-V185 HydrophobicContact CE2-CG2 4Å; F181-V185 HydrophobicContact CG-CG2 4.47Å; F181-V185 HydrophobicContact CZ-CG2 3.69Å; F181-V185 WeakPolarHBondContact O-CG2 3.43Å; F181-V185 PolarHBondContact O-N 3.36Å; L182-V185 PolarHBondContact O-N 3.38Å; V185-W187 VanDerWaalsContact C-N 3.28Å; V185-W187 PolarHBondContact O-N 3.23Å; V185-V188 PolarHBondContact O-N 3.02Å; V185-E189 HydrophobicContact CG1-CG 4.15Å; V185-E189 VanDerWaalsContact O-CG 3.3Å; V185-E189 WeakPolarHBondContact O-CG 3.39Å; V185-E189 PolarHBondContact O-N 2.91Å; V185-L199 HydrophobicContact CG1-CB 4.05Å; V185-L199 HydrophobicContact CG1-CD2 4.29Å; V185-L199 HydrophobicContact CG2-CD2 3.68Å |
| 186 | Q | 95 | Very high | 92.4 | Very high | 103 Ų | 103 | 67.7 Ų | 67.7 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60 | -38 | 175.6 | -72.7 | 175.7 | -4.4 | 0 | 0 | 112.5 | L182 A183 F184 N190 | L182-Q186 WeakPolarHBondContact O-CG 3.31Å; L182-Q186 PolarHBondContact O-N 3.31Å; A183-Q186 PolarHBondContact O-N 3.44Å; F184-Q186 VanDerWaalsContact C-N 3.35Å; F184-Q186 PolarHBondContact O-N 3.24Å; Q186-N190 WeakPolarHBondContact O-CB 3.38Å; Q186-N190 PolarHBondContact O-N 3.35Å; Q186-N190 PolarHBondContact O-ND2 3.09Å |
| 187 | W | 94.7 | Very high | 92.2 | Very high | 52 Ų | 52 | 62 Ų | 62 | 20% | 0.197 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 175.4 | 174.3 | 83 | 0 | 0 | 0 | 111.5 | F10 L83 A87 A183 F184 V185 N190 H191 | F10-W187 HydrophobicContact CB-CG 4.47Å; F10-W187 HydrophobicContact CD1-CB 4.15Å; F10-W187 AromaticContact CD1-CD1 3.2Å; F10-W187 AromaticContact CD1-CD2 3.73Å; F10-W187 HydrophobicContact CD1-CD2 3.73Å; F10-W187 AromaticContact CD1-CE2 3.72Å; F10-W187 AromaticContact CD1-CG 3.42Å; F10-W187 HydrophobicContact CD1-CG 3.42Å; F10-W187 VanDerWaalsContact CD1-CG 3.42Å; F10-W187 AromaticContact CD1-NE1 3.35Å; F10-W187 VanDerWaalsContact CD1-NE1 3.35Å; F10-W187 HydrophobicContact CE1-CB 4.21Å; F10-W187 AromaticContact CE1-CD1 3.91Å; F10-W187 AromaticContact CE1-CD2 3.64Å; F10-W187 HydrophobicContact CE1-CD2 3.64Å; F10-W187 AromaticContact CE1-CE2 3.92Å; F10-W187 HydrophobicContact CE1-CE3 4.14Å; F10-W187 AromaticContact CE1-CG 3.65Å; F10-W187 HydrophobicContact CE1-CG 3.65Å; F10-W187 HydrophobicContact CG-CB 4.31Å; F10-W187 AromaticContact CG-CD1 3.61Å; F10-W187 AromaticContact CG-CG 3.94Å; F10-W187 HydrophobicContact CG-CG 3.94Å; F10-W187 HydrophobicContact CZ-CB 4.47Å; F10-W187 HydrophobicContact CZ-CG 4.36Å; L83-W187 HydrophobicContact CD1-CH2 3.86Å; L83-W187 HydrophobicContact CD1-CZ3 4.15Å; A87-W187 HydrophobicContact CB-CH2 4.09Å; A87-W187 HydrophobicContact CB-CZ3 3.72Å; A183-W187 PolarHBondContact O-N 3.31Å; F184-W187 HydrophobicContact CE2-CE3 4.47Å; F184-W187 WeakPolarHBondContact O-CB 3.49Å; F184-W187 PolarHBondContact O-N 2.91Å; F184-W187 VanDerWaalsContact O-N 3.1Å; V185-W187 VanDerWaalsContact C-N 3.28Å; V185-W187 PolarHBondContact O-N 3.23Å; W187-N190 PolarHBondContact O-N 2.86Å; W187-H191 AromaticContact CE2-CD2 3.88Å; W187-H191 AromaticContact CH2-CD2 3.93Å; W187-H191 AromaticContact CZ2-CD2 3.47Å; W187-H191 VanDerWaalsContact CZ2-CD2 3.47Å; W187-H191 WeakPolarHBondContact CZ2-CD2 3.43Å; W187-H191 AromaticContact CZ2-NE2 3.89Å; W187-H191 PolarHBondContact O-N 2.94Å |
| 188 | V | 93.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -50.3 | 177.4 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | V84 F184 V185 N190 H191 M202 | V84-V188 HydrophobicContact CB-CG1 4.47Å; V84-V188 HydrophobicContact CG1-CG1 4.3Å; V84-V188 HydrophobicContact CG1-CG2 4.2Å; V84-V188 HydrophobicContact CG2-CG1 3.51Å; V84-V188 HydrophobicContact CG2-CG2 4.44Å; F184-V188 HydrophobicContact CD1-CG2 4.45Å; F184-V188 HydrophobicContact CD2-CG2 4.3Å; F184-V188 HydrophobicContact CE1-CG2 4Å; F184-V188 HydrophobicContact CE2-CG2 3.84Å; F184-V188 HydrophobicContact CZ-CG2 3.67Å; F184-V188 WeakPolarHBondContact O-CG2 3.39Å; F184-V188 PolarHBondContact O-N 2.85Å; V185-V188 PolarHBondContact O-N 3.02Å; V188-N190 VanDerWaalsContact C-N 3.26Å; V188-N190 PolarHBondContact O-N 3.07Å; V188-H191 VanDerWaalsContact O-CB 3.24Å; V188-H191 WeakPolarHBondContact O-CB 3.49Å; V188-H191 PolarHBondContact O-N 2.8Å; V188-M202 HydrophobicContact CG1-CE 3.96Å; V188-M202 HydrophobicContact CG1-SD 4.45Å |
| 189 | E | 93.5 | Very high | 92.2 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -25.9 | -175.3 | -67.3 | -176.6 | 159.3 | 0 | 0 | 113.1 | V185 R198 L199 | V185-E189 HydrophobicContact CG1-CG 4.15Å; V185-E189 VanDerWaalsContact O-CG 3.3Å; V185-E189 WeakPolarHBondContact O-CG 3.39Å; V185-E189 PolarHBondContact O-N 2.91Å; E189-R198 VanDerWaalsContact OE1-CA 3.23Å; E189-R198 WeakPolarHBondContact OE1-CA 3.24Å; E189-R198 WeakPolarHBondContact OE1-CB 3.34Å; E189-R198 VanDerWaalsContact OE1-CD 3.27Å; E189-R198 WeakPolarHBondContact OE1-CD 3.31Å; E189-R198 VanDerWaalsContact OE2-CD 3.25Å; E189-R198 WeakPolarHBondContact OE2-CD 3.47Å; E189-R198 IonicContact OE2-CZ 2.78Å; E189-R198 IonicContact OE2-NE 2.71Å; E189-R198 IonicContact OE2-NH1 2.69Å; E189-R198 PolarHBondContact OE2-NH1 3.19Å; E189-L199 PolarHBondContact OE1-N 2.75Å |
| 190 | N | 92.9 | Very high | 92.1 | Very high | 128 Ų | 128 | 61.5 Ų | 61.5 | 68% | 0.684 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -1.9 | 174.8 | -69.9 | -57.7 | 0 | 0 | 0 | 113.2 | Q186 W187 V188 | Q186-N190 WeakPolarHBondContact O-CB 3.38Å; Q186-N190 PolarHBondContact O-N 3.35Å; Q186-N190 PolarHBondContact O-ND2 3.09Å; W187-N190 PolarHBondContact O-N 2.86Å; V188-N190 VanDerWaalsContact C-N 3.26Å; V188-N190 PolarHBondContact O-N 3.07Å |
| 191 | H | 92.4 | Very high | 92.1 | Very high | 32 Ų | 32 | 60.6 Ų | 60.6 | 15% | 0.148 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -70.3 | 135 | -178.7 | -162.2 | -94.3 | 0 | 0 | 0 | 110.3 | L83 W187 V188 Q193 G194 | L83-H191 HydrophobicContact CD1-CB 4.3Å; L83-H191 WeakPolarHBondContact CD1-ND1 3.33Å; L83-H191 HydrophobicContact CD2-CB 3.9Å; W187-H191 AromaticContact CE2-CD2 3.88Å; W187-H191 AromaticContact CH2-CD2 3.93Å; W187-H191 AromaticContact CZ2-CD2 3.47Å; W187-H191 VanDerWaalsContact CZ2-CD2 3.47Å; W187-H191 WeakPolarHBondContact CZ2-CD2 3.43Å; W187-H191 AromaticContact CZ2-NE2 3.89Å; W187-H191 PolarHBondContact O-N 2.94Å; V188-H191 VanDerWaalsContact O-CB 3.24Å; V188-H191 WeakPolarHBondContact O-CB 3.49Å; V188-H191 PolarHBondContact O-N 2.8Å; H191-Q193 PolarHBondContact CE1-OE1 3.29Å; H191-Q193 VanDerWaalsContact CE1-OE1 3.29Å; H191-Q193 PolarHBondContact ND1-N 3.49Å; H191-Q193 PolarHBondContact O-N 3.47Å; H191-Q193 VanDerWaalsContact O-N 3.12Å; H191-G194 PolarHBondContact O-N 3.4Å |
| 192 | P | 89.3 | Confident | 92 | Very high | 121 Ų | 121 | 60.6 Ų | 60.6 | 79% | 0.786 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -56.5 | -33.1 | -177.9 | -27.3 | 34.9 | 0 | 0 | 0 | 114.2 | G194 | P192-G194 VanDerWaalsContact C-N 3.33Š|
| 193 | Q | 84.4 | Confident | 92 | Very high | 106 Ų | 106 | 57.9 Ų | 57.9 | 50% | 0.495 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -77 | -16.5 | 177.2 | -63.7 | 178.2 | -47.9 | 0 | 0 | 113.6 | I79 L83 H191 E195 | I79-Q193 VanDerWaalsContact CG2-O 3.25Å; I79-Q193 WeakPolarHBondContact CG2-O 3.33Å; L83-Q193 HydrophobicContact CD2-CB 4.42Å; H191-Q193 PolarHBondContact CE1-OE1 3.29Å; H191-Q193 VanDerWaalsContact CE1-OE1 3.29Å; H191-Q193 PolarHBondContact ND1-N 3.49Å; H191-Q193 PolarHBondContact O-N 3.47Å; H191-Q193 VanDerWaalsContact O-N 3.12Å; Q193-E195 PolarHBondContact O-N 2.88Å |
| 194 | G | 77.4 | Confident | 91.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -73.5 | -2.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | H191 P192 R196 M197 | H191-G194 PolarHBondContact O-N 3.4Å; P192-G194 VanDerWaalsContact C-N 3.33Å; G194-R196 PolarHBondContact O-N 2.97Å; G194-M197 WeakPolarHBondContact O-CB 3.37Å; G194-M197 PolarHBondContact O-N 2.71Å |
| 195 | E | 83.9 | Confident | 91.9 | Very high | 105 Ų | 105 | 59.1 Ų | 59.1 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 28.9 | -179.2 | -62.8 | -175.8 | 177.2 | 0 | 0 | 113.9 | K76 I79 Q193 M197 | K76-E195 IonicContact NZ-OE2 3.97Å; K76-E195 PolarHBondContact NZ-OE2 3.41Å; I79-E195 HydrophobicContact CD1-CG 4.11Å; Q193-E195 PolarHBondContact O-N 2.88Å; E195-M197 PolarHBondContact O-N 3.07Å |
| 196 | R | 86.3 | Confident | 91.9 | Very high | 232 Ų | 232 | 59 Ų | 59 | 88% | 0.875 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 20 | -174.6 | -52 | 178.5 | 178.1 | 176.1 | -0.7 | 114.5 | G194 | G194-R196 PolarHBondContact O-N 2.97Š|
| 197 | M | 92.5 | Very high | 91.9 | Very high | 11 Ų | 11 | 58 Ų | 58 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | trans | -71.6 | 133.5 | 174 | -65.3 | -171.8 | -66.9 | 0 | 0 | 109.6 | K76 I79 G194 E195 D201 M202 | K76-M197 HydrophobicContact CB-CE 4.36Å; K76-M197 HydrophobicContact CD-SD 4.06Å; K76-M197 HydrophobicContact CG-CE 4.21Å; K76-M197 HydrophobicContact CG-SD 4.21Å; I79-M197 HydrophobicContact CG2-CE 4.46Å; G194-M197 WeakPolarHBondContact O-CB 3.37Å; G194-M197 PolarHBondContact O-N 2.71Å; E195-M197 PolarHBondContact O-N 3.07Å; M197-D201 HydrophobicContact CB-CB 4.48Å; M197-M202 HydrophobicContact CB-CE 3.83Å; M197-M202 HydrophobicContact CB-CG 3.96Å; M197-M202 HydrophobicContact CE-CG 4.39Å; M197-M202 WeakPolarHBondContact O-CE 3.41Å | ||
| 198 | R | 94.3 | Very high | 91.9 | Very high | 148 Ų | 148 | 59.6 Ų | 59.6 | 56% | 0.558 | 29% | 0.292 | S | S | * | . | trans | -74.1 | 157.6 | 168.9 | -61.4 | -65.5 | -174.9 | 172.4 | 0.7 | 110.2 | E189 G200 D201 M202 | E189-R198 VanDerWaalsContact OE1-CA 3.23Å; E189-R198 WeakPolarHBondContact OE1-CA 3.24Å; E189-R198 WeakPolarHBondContact OE1-CB 3.34Å; E189-R198 VanDerWaalsContact OE1-CD 3.27Å; E189-R198 WeakPolarHBondContact OE1-CD 3.31Å; E189-R198 VanDerWaalsContact OE2-CD 3.25Å; E189-R198 WeakPolarHBondContact OE2-CD 3.47Å; E189-R198 IonicContact OE2-CZ 2.78Å; E189-R198 IonicContact OE2-NE 2.71Å; E189-R198 IonicContact OE2-NH1 2.69Å; E189-R198 PolarHBondContact OE2-NH1 3.19Å; R198-G200 VanDerWaalsContact C-N 3.27Å; R198-G200 PolarHBondContact O-N 2.68Å; R198-D201 HydrophobicContact CB-CB 4.49Å; R198-D201 WeakPolarHBondContact CB-OD2 3.24Å; R198-D201 PolarHBondContact N-OD2 3.3Å; R198-D201 WeakPolarHBondContact O-CB 3.41Å; R198-D201 PolarHBondContact O-N 2.96Å; R198-M202 WeakPolarHBondContact O-CG 3.47Å; R198-M202 PolarHBondContact O-N 3.03Å | ||
| 199 | L | 94.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.1 | -43 | 178.2 | -179.5 | 61.1 | 0 | 0 | 0 | 111.7 | F106 T171 F181 V185 E189 D201 M202 Q203 | F106-L199 HydrophobicContact CE1-CD1 4.2Å; F106-L199 HydrophobicContact CE2-CD1 4.12Å; F106-L199 HydrophobicContact CZ-CD1 3.43Å; F106-L199 VanDerWaalsContact CZ-CD1 3.43Å; T171-L199 HydrophobicContact CG2-CD2 3.54Å; T171-L199 HydrophobicContact CG2-CG 4.29Å; F181-L199 HydrophobicContact CZ-CD2 3.96Å; V185-L199 HydrophobicContact CG1-CB 4.05Å; V185-L199 HydrophobicContact CG1-CD2 4.29Å; V185-L199 HydrophobicContact CG2-CD2 3.68Å; E189-L199 PolarHBondContact OE1-N 2.75Å; L199-D201 VanDerWaalsContact C-N 3.31Å; L199-D201 PolarHBondContact O-N 3.19Å; L199-M202 WeakPolarHBondContact O-CB 3.37Å; L199-M202 PolarHBondContact O-N 3.35Å; L199-M202 VanDerWaalsContact O-N 3.16Å; L199-Q203 WeakPolarHBondContact O-CG 3.31Å; L199-Q203 PolarHBondContact O-N 3.31Å |
| 200 | G | 94.2 | Very high | 92.3 | Very high | 36 Ų | 36 | 59.1 Ų | 59.1 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -37 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R198 M202 Q203 A204 | R198-G200 VanDerWaalsContact C-N 3.27Å; R198-G200 PolarHBondContact O-N 2.68Å; G200-M202 VanDerWaalsContact C-N 3.3Å; G200-M202 PolarHBondContact O-N 2.98Å; G200-Q203 PolarHBondContact O-N 3.4Å; G200-A204 PolarHBondContact O-N 3.19Å |
| 201 | D | 94.1 | Very high | 92.4 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 176.1 | -63.2 | -39.5 | 0 | 0 | 0 | 111.6 | M197 R198 L199 K205 | M197-D201 HydrophobicContact CB-CB 4.48Å; R198-D201 HydrophobicContact CB-CB 4.49Å; R198-D201 WeakPolarHBondContact CB-OD2 3.24Å; R198-D201 PolarHBondContact N-OD2 3.3Å; R198-D201 WeakPolarHBondContact O-CB 3.41Å; R198-D201 PolarHBondContact O-N 2.96Å; L199-D201 VanDerWaalsContact C-N 3.31Å; L199-D201 PolarHBondContact O-N 3.19Å; D201-K205 WeakPolarHBondContact O-CE 3.34Å; D201-K205 VanDerWaalsContact O-CG 3.31Å; D201-K205 WeakPolarHBondContact O-CG 3.39Å; D201-K205 PolarHBondContact O-N 2.7Å |
| 202 | M | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 176.8 | -64.7 | 176.5 | -173.5 | 0 | 0 | 110.8 | I80 V84 F106 V188 M197 R198 L199 G200 A204 K205 | I80-M202 HydrophobicContact CD1-CB 3.66Å; I80-M202 HydrophobicContact CD1-CG 4.09Å; I80-M202 HydrophobicContact CG1-CB 3.84Å; I80-M202 HydrophobicContact CG1-CG 3.86Å; I80-M202 HydrophobicContact CG1-SD 4.04Å; V84-M202 HydrophobicContact CG2-CE 4.32Å; V84-M202 HydrophobicContact CG2-SD 3.77Å; F106-M202 HydrophobicContact CE1-CB 3.96Å; F106-M202 HydrophobicContact CZ-CB 4.39Å; V188-M202 HydrophobicContact CG1-CE 3.96Å; V188-M202 HydrophobicContact CG1-SD 4.45Å; M197-M202 HydrophobicContact CB-CE 3.83Å; M197-M202 HydrophobicContact CB-CG 3.96Å; M197-M202 HydrophobicContact CE-CG 4.39Å; M197-M202 WeakPolarHBondContact O-CE 3.41Å; R198-M202 WeakPolarHBondContact O-CG 3.47Å; R198-M202 PolarHBondContact O-N 3.03Å; L199-M202 WeakPolarHBondContact O-CB 3.37Å; L199-M202 PolarHBondContact O-N 3.35Å; L199-M202 VanDerWaalsContact O-N 3.16Å; G200-M202 VanDerWaalsContact C-N 3.3Å; G200-M202 PolarHBondContact O-N 2.98Å; M202-A204 VanDerWaalsContact C-N 3.31Å; M202-A204 PolarHBondContact O-N 3.37Å; M202-K205 WeakPolarHBondContact O-CB 3.48Å; M202-K205 PolarHBondContact O-N 2.95Å |
| 203 | Q | 95.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 2% | 0.023 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 178.5 | -68.5 | 177.8 | -70 | 0 | 0 | 112 | L105 F106 Y160 L168 T171 L199 G200 K205 P206 | L105-Q203 PolarHBondContact O-NE2 3.46Å; F106-Q203 HydrophobicContact CD1-CG 4.08Å; F106-Q203 HydrophobicContact CE1-CG 3.81Å; Y160-Q203 PolarHBondContact OH-O 3.3Å; L168-Q203 HydrophobicContact CD2-CB 4.11Å; T171-Q203 PolarHBondContact OG1-NE2 2.79Å; L199-Q203 WeakPolarHBondContact O-CG 3.31Å; L199-Q203 PolarHBondContact O-N 3.31Å; G200-Q203 PolarHBondContact O-N 3.4Å; Q203-K205 VanDerWaalsContact C-N 3.34Å; Q203-K205 PolarHBondContact O-N 2.79Å; Q203-P206 WeakPolarHBondContact O-CD 3.43Å |
| 204 | A | 94.1 | Very high | 93.8 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G200 M202 H207 Q208 | G200-A204 PolarHBondContact O-N 3.19Å; M202-A204 VanDerWaalsContact C-N 3.31Å; M202-A204 PolarHBondContact O-N 3.37Å; A204-H207 PolarHBondContact O-N 3.31Å; A204-Q208 HydrophobicContact CB-CG 4.49Å; A204-Q208 WeakPolarHBondContact O-CB 2.94Å; A204-Q208 VanDerWaalsContact O-CG 3.24Å; A204-Q208 WeakPolarHBondContact O-CG 3.48Å; A204-Q208 PolarHBondContact O-N 3.22Å |
| 205 | K | 95.3 | Very high | 94.7 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 16% | 0.161 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.6 | -45.5 | -174.7 | -71.5 | -62.3 | 159 | -132.7 | 0 | 113.2 | Y73 K76 D201 M202 Q203 Q208 R209 | Y73-K205 HydrophobicContact CE2-CB 3.97Å; Y73-K205 WeakPolarHBondContact CE2-O 3.27Å; K76-K205 HydrophobicContact CD-CD 4.35Å; D201-K205 WeakPolarHBondContact O-CE 3.34Å; D201-K205 VanDerWaalsContact O-CG 3.31Å; D201-K205 WeakPolarHBondContact O-CG 3.39Å; D201-K205 PolarHBondContact O-N 2.7Å; M202-K205 WeakPolarHBondContact O-CB 3.48Å; M202-K205 PolarHBondContact O-N 2.95Å; Q203-K205 VanDerWaalsContact C-N 3.34Å; Q203-K205 PolarHBondContact O-N 2.79Å; K205-Q208 PolarHBondContact O-N 3.21Å; K205-R209 PolarHBondContact O-N 3.16Å |
| 206 | P | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -52.4 | 180 | -27.6 | 40.6 | 0 | 0 | 0 | 113.4 | Y73 L77 L109 I112 Y157 Y160 Q203 Q208 R209 I210 | Y73-P206 VanDerWaalsContact OH-CA 3.24Å; Y73-P206 WeakPolarHBondContact OH-CA 3.29Å; L77-P206 HydrophobicContact CD2-CG 4.4Å; L109-P206 HydrophobicContact CD1-CG 3.61Å; I112-P206 HydrophobicContact CG2-CB 4.29Å; Y157-P206 HydrophobicContact CE1-CB 3.71Å; Y157-P206 VanDerWaalsContact CE1-O 3.26Å; Y157-P206 WeakPolarHBondContact CE1-O 3.1Å; Y157-P206 PolarHBondContact OH-O 2.93Å; Y160-P206 HydrophobicContact CD1-CB 3.82Å; Y160-P206 HydrophobicContact CD1-CG 4.26Å; Y160-P206 HydrophobicContact CE1-CB 3.62Å; Y160-P206 HydrophobicContact CE1-CG 3.65Å; Y160-P206 HydrophobicContact CE2-CB 4.47Å; Y160-P206 HydrophobicContact CE2-CG 3.94Å; Y160-P206 HydrophobicContact CG-CB 4.36Å; Y160-P206 VanDerWaalsContact CZ-CG 3.47Å; Q203-P206 WeakPolarHBondContact O-CD 3.43Å; P206-Q208 VanDerWaalsContact C-N 3.26Å; P206-Q208 PolarHBondContact O-N 3.05Å; P206-R209 PolarHBondContact O-N 3.01Å; P206-I210 PolarHBondContact O-N 2.99Å |
| 207 | H | 93.4 | Very high | 96 | Very high | 82 Ų | 82 | 37.8 Ų | 37.8 | 38% | 0.38 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -55.9 | -44.2 | 177.1 | -169.8 | 121.7 | 0 | 0 | 0 | 111.2 | E164 A204 R209 I210 T211 | E164-H207 WeakPolarHBondContact OE1-CB 3.38Å; E164-H207 IonicContact OE2-CE1 3.2Å; E164-H207 IonicContact OE2-CG 2.97Å; E164-H207 IonicContact OE2-ND1 3.87Å; E164-H207 PolarHBondContact OE2-ND1 3.07Å; A204-H207 PolarHBondContact O-N 3.31Å; H207-R209 VanDerWaalsContact C-N 3.32Å; H207-R209 PolarHBondContact O-N 3.13Å; H207-I210 WeakPolarHBondContact O-CG2 3.44Å; H207-T211 WeakPolarHBondContact O-CG2 3.37Å; H207-T211 PolarHBondContact O-N 2.92Å; H207-T211 PolarHBondContact O-OG1 3.41Å |
| 208 | Q | 95.4 | Very high | 96.3 | Very high | 85 Ų | 85 | 42.4 Ų | 42.4 | 40% | 0.397 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.5 | -37.3 | 176.6 | -71.7 | 172.7 | 5.1 | 0 | 0 | 112.5 | A204 K205 P206 T211 K212 | A204-Q208 HydrophobicContact CB-CG 4.49Å; A204-Q208 WeakPolarHBondContact O-CB 2.94Å; A204-Q208 VanDerWaalsContact O-CG 3.24Å; A204-Q208 WeakPolarHBondContact O-CG 3.48Å; A204-Q208 PolarHBondContact O-N 3.22Å; K205-Q208 PolarHBondContact O-N 3.21Å; P206-Q208 VanDerWaalsContact C-N 3.26Å; P206-Q208 PolarHBondContact O-N 3.05Å; Q208-T211 PolarHBondContact O-OG1 3.12Å; Q208-T211 VanDerWaalsContact O-OG1 3.13Å; Q208-K212 WeakPolarHBondContact O-CG 3.3Å |
| 209 | R | 98.2 | Very high | 96.4 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 6% | 0.06 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.1 | -48 | -179 | -179.9 | 63.3 | -179.6 | 171 | 0.8 | 111.9 | T69 E70 Y73 K205 P206 H207 T211 K212 Y213 | T69-R209 VanDerWaalsContact CB-NH1 3.32Å; T69-R209 PolarHBondContact OG1-NH1 3.37Å; T69-R209 PolarHBondContact OG1-NH2 2.9Å; E70-R209 VanDerWaalsContact CA-NH2 3.29Å; E70-R209 IonicContact OE2-CZ 2.68Å; E70-R209 IonicContact OE2-NE 3.35Å; E70-R209 PolarHBondContact OE2-NE 2.82Å; E70-R209 IonicContact OE2-NH2 3.87Å; E70-R209 PolarHBondContact OE2-NH2 2.86Å; Y73-R209 HydrophobicContact CD1-CB 4.18Å; Y73-R209 HydrophobicContact CD1-CG 3.6Å; Y73-R209 HydrophobicContact CD2-CB 3.75Å; Y73-R209 HydrophobicContact CD2-CG 3.98Å; Y73-R209 HydrophobicContact CE1-CB 3.96Å; Y73-R209 HydrophobicContact CE1-CG 3.69Å; Y73-R209 HydrophobicContact CE2-CB 3.51Å; Y73-R209 HydrophobicContact CE2-CG 4.06Å; Y73-R209 HydrophobicContact CG-CB 4.06Å; Y73-R209 HydrophobicContact CG-CG 3.74Å; K205-R209 PolarHBondContact O-N 3.16Å; P206-R209 PolarHBondContact O-N 3.01Å; H207-R209 VanDerWaalsContact C-N 3.32Å; H207-R209 PolarHBondContact O-N 3.13Å; R209-T211 PolarHBondContact O-N 2.93Å; R209-K212 WeakPolarHBondContact O-CB 3.46Å; R209-K212 PolarHBondContact O-N 3.37Å; R209-Y213 HydrophobicContact CG-CE2 4.15Å |
| 210 | I | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -33.4 | -172.2 | -159 | 65.7 | 0 | 0 | 0 | 111.7 | F150 F154 Y157 P206 H207 K212 Y213 F243 L244 | F150-I210 HydrophobicContact CE1-CD1 3.58Å; F150-I210 HydrophobicContact CE1-CG1 4.34Å; F150-I210 HydrophobicContact CZ-CD1 3.59Å; F154-I210 HydrophobicContact CB-CD1 4.2Å; F154-I210 HydrophobicContact CD1-CD1 4.46Å; F154-I210 HydrophobicContact CG-CD1 4.15Å; Y157-I210 HydrophobicContact CD1-CB 3.84Å; Y157-I210 HydrophobicContact CD1-CD1 4.44Å; Y157-I210 HydrophobicContact CD1-CG1 4Å; Y157-I210 HydrophobicContact CD1-CG2 3.87Å; Y157-I210 HydrophobicContact CD2-CD1 3.87Å; Y157-I210 HydrophobicContact CD2-CG1 4.28Å; Y157-I210 HydrophobicContact CE1-CB 3.52Å; Y157-I210 HydrophobicContact CE1-CD1 4.33Å; Y157-I210 HydrophobicContact CE1-CG1 4.07Å; Y157-I210 HydrophobicContact CE1-CG2 3.8Å; Y157-I210 HydrophobicContact CE2-CB 4.43Å; Y157-I210 HydrophobicContact CE2-CD1 3.73Å; Y157-I210 HydrophobicContact CE2-CG1 4.32Å; Y157-I210 HydrophobicContact CG-CB 4.42Å; Y157-I210 HydrophobicContact CG-CD1 4.2Å; Y157-I210 HydrophobicContact CG-CG1 4.09Å; P206-I210 PolarHBondContact O-N 2.99Å; H207-I210 WeakPolarHBondContact O-CG2 3.44Å; I210-K212 VanDerWaalsContact C-N 3.29Å; I210-K212 PolarHBondContact O-N 3.29Å; I210-Y213 HydrophobicContact CD1-CD2 4.2Å; I210-Y213 HydrophobicContact CD1-CE2 4.15Å; I210-F243 HydrophobicContact CD1-CE1 3.95Å; I210-F243 HydrophobicContact CG1-CD1 4.46Å; I210-F243 HydrophobicContact CG1-CE1 3.93Å; I210-L244 HydrophobicContact CB-CD2 4.38Å; I210-L244 HydrophobicContact CG1-CD2 3.84Å; I210-L244 HydrophobicContact CG2-CD2 4.01Å |
| 211 | T | 95.6 | Very high | 96.8 | Very high | 56 Ų | 56 | 36.6 Ų | 36.6 | 34% | 0.344 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -10.3 | 176 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | H207 Q208 R209 | H207-T211 WeakPolarHBondContact O-CG2 3.37Å; H207-T211 PolarHBondContact O-N 2.92Å; H207-T211 PolarHBondContact O-OG1 3.41Å; Q208-T211 PolarHBondContact O-OG1 3.12Å; Q208-T211 VanDerWaalsContact O-OG1 3.13Å; R209-T211 PolarHBondContact O-N 2.93Å |
| 212 | K | 97.8 | Very high | 96.9 | Very high | 105 Ų | 105 | 40.7 Ų | 40.7 | 46% | 0.457 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -26.6 | 178 | -66.5 | -71.5 | 178.5 | -172.4 | 0 | 113.5 | Q208 R209 I210 L215 L216 | Q208-K212 WeakPolarHBondContact O-CG 3.3Å; R209-K212 WeakPolarHBondContact O-CB 3.46Å; R209-K212 PolarHBondContact O-N 3.37Å; I210-K212 VanDerWaalsContact C-N 3.29Å; I210-K212 PolarHBondContact O-N 3.29Å; K212-L215 HydrophobicContact CD-CD1 4.2Å; K212-L215 WeakPolarHBondContact O-CA 3.5Å; K212-L215 WeakPolarHBondContact O-CB 3.26Å; K212-L215 PolarHBondContact O-N 2.94Å; K212-L216 HydrophobicContact CB-CD1 4.39Å; K212-L216 WeakPolarHBondContact O-CG 3.28Å; K212-L216 PolarHBondContact O-N 2.93Å |
| 213 | Y | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -43.5 | -177.5 | -70.9 | -75 | 0 | 0 | 0 | 113.9 | E70 H116 F119 F150 R209 I210 L215 L216 L217 | E70-Y213 VanDerWaalsContact CD-OH 3.28Å; E70-Y213 PolarHBondContact OE1-OH 2.97Å; E70-Y213 PolarHBondContact OE2-OH 3.41Å; H116-Y213 AromaticContact CE1-CZ 3.99Å; H116-Y213 PolarHBondContact CE1-OH 3.49Å; H116-Y213 PolarHBondContact ND1-OH 3.42Å; F119-Y213 HydrophobicContact CE1-CE1 4.15Å; F150-Y213 HydrophobicContact CE2-CD1 4.36Å; F150-Y213 AromaticContact CE2-CD2 4Å; F150-Y213 HydrophobicContact CE2-CD2 4Å; F150-Y213 HydrophobicContact CE2-CE2 4.27Å; F150-Y213 HydrophobicContact CE2-CG 4.02Å; F150-Y213 AromaticContact CZ-CD2 3.5Å; F150-Y213 HydrophobicContact CZ-CD2 3.5Å; F150-Y213 AromaticContact CZ-CE2 3.93Å; F150-Y213 HydrophobicContact CZ-CE2 3.93Å; F150-Y213 AromaticContact CZ-CG 3.88Å; F150-Y213 HydrophobicContact CZ-CG 3.88Å; R209-Y213 HydrophobicContact CG-CE2 4.15Å; I210-Y213 HydrophobicContact CD1-CD2 4.2Å; I210-Y213 HydrophobicContact CD1-CE2 4.15Å; Y213-L215 PolarHBondContact O-N 3.19Å; Y213-L216 PolarHBondContact O-N 3.24Å; Y213-L217 WeakPolarHBondContact O-CB 3.44Å; Y213-L217 WeakPolarHBondContact O-CG 3.47Å; Y213-L217 PolarHBondContact O-N 3.33Å |
| 214 | P | 98.1 | Very high | 97 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -35.1 | 173.8 | -23.7 | 32 | 0 | 0 | 0 | 113.5 | K218 L237 V240 N241 L244 | P214-K218 VanDerWaalsContact O-CB 3.27Å; P214-K218 WeakPolarHBondContact O-CB 3.41Å; P214-K218 WeakPolarHBondContact O-CD 3.49Å; P214-K218 WeakPolarHBondContact O-CG 3.49Å; P214-K218 PolarHBondContact O-N 3.22Å; P214-L237 HydrophobicContact CB-CD2 4.47Å; P214-L237 WeakPolarHBondContact O-CD2 3.4Å; P214-V240 HydrophobicContact CG-CG1 3.88Å; P214-N241 WeakPolarHBondContact CB-OD1 3.44Å; P214-L244 HydrophobicContact CG-CD1 3.51Å |
| 215 | L | 97.8 | Very high | 96.9 | Very high | 96 Ų | 96 | 46.6 Ų | 46.6 | 50% | 0.503 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -73.1 | -44 | -179.1 | -54.9 | -177.5 | 0 | 0 | 0 | 111.2 | K212 Y213 K218 A219 | K212-L215 HydrophobicContact CD-CD1 4.2Å; K212-L215 WeakPolarHBondContact O-CA 3.5Å; K212-L215 WeakPolarHBondContact O-CB 3.26Å; K212-L215 PolarHBondContact O-N 2.94Å; Y213-L215 PolarHBondContact O-N 3.19Å; L215-K218 PolarHBondContact O-N 3.18Å; L215-A219 PolarHBondContact O-N 3.17Å |
| 216 | L | 98.1 | Very high | 97 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 176.9 | -67.4 | 169 | 0 | 0 | 0 | 110.8 | E65 L66 K212 Y213 K218 A219 V220 | E65-L216 HydrophobicContact CB-CD2 4.48Å; E65-L216 HydrophobicContact CG-CD2 3.92Å; L66-L216 HydrophobicContact CB-CD1 4.44Å; L66-L216 HydrophobicContact CD1-CB 4.36Å; L66-L216 HydrophobicContact CG-CD1 4.34Å; K212-L216 HydrophobicContact CB-CD1 4.39Å; K212-L216 WeakPolarHBondContact O-CG 3.28Å; K212-L216 PolarHBondContact O-N 2.93Å; Y213-L216 PolarHBondContact O-N 3.24Å; L216-K218 PolarHBondContact O-N 3.04Å; L216-A219 WeakPolarHBondContact O-CB 3.43Å; L216-A219 PolarHBondContact O-N 3.14Å; L216-V220 WeakPolarHBondContact O-CG2 3.42Å; L216-V220 PolarHBondContact O-N 2.92Å; L216-V220 VanDerWaalsContact O-N 3.11Å |
| 217 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 177.6 | -71 | 175.2 | 0 | 0 | 0 | 112.5 | L143 Y213 A219 V220 L221 L233 M236 L237 V240 | L143-L217 HydrophobicContact CD1-CD2 4.33Å; Y213-L217 WeakPolarHBondContact O-CB 3.44Å; Y213-L217 WeakPolarHBondContact O-CG 3.47Å; Y213-L217 PolarHBondContact O-N 3.33Å; L217-A219 VanDerWaalsContact C-N 3.34Å; L217-V220 PolarHBondContact O-N 3.31Å; L217-L221 WeakPolarHBondContact O-CB 3.31Å; L217-L221 PolarHBondContact O-N 3.17Å; L217-L233 HydrophobicContact CD2-CD2 4.29Å; L217-M236 HydrophobicContact CD1-CB 4.27Å; L217-M236 HydrophobicContact CD2-SD 4.44Å; L217-L237 HydrophobicContact CB-CD2 3.43Å; L217-L237 VanDerWaalsContact CB-CD2 3.43Å; L217-L237 HydrophobicContact CB-CG 3.79Å; L217-L237 HydrophobicContact CD1-CD2 4.22Å; L217-L237 HydrophobicContact CD1-CG 4.45Å; L217-L237 HydrophobicContact CG-CD2 4.49Å; L217-V240 HydrophobicContact CD1-CB 4.48Å; L217-V240 HydrophobicContact CD1-CG2 3.86Å |
| 218 | K | 98.1 | Very high | 97.1 | Very high | 109 Ų | 109 | 54.3 Ų | 54.3 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 173.1 | -81.7 | 171.2 | -174.2 | 176.2 | 0 | 111.9 | P214 L215 L216 L221 K222 L237 | P214-K218 VanDerWaalsContact O-CB 3.27Å; P214-K218 WeakPolarHBondContact O-CB 3.41Å; P214-K218 WeakPolarHBondContact O-CD 3.49Å; P214-K218 WeakPolarHBondContact O-CG 3.49Å; P214-K218 PolarHBondContact O-N 3.22Å; L215-K218 PolarHBondContact O-N 3.18Å; L216-K218 PolarHBondContact O-N 3.04Å; K218-L221 PolarHBondContact O-N 2.94Å; K218-K222 WeakPolarHBondContact O-CB 3.36Å; K218-K222 PolarHBondContact O-N 2.95Å; K218-L237 HydrophobicContact CG-CD1 3.93Å; K218-L237 HydrophobicContact CG-CD2 3.89Å |
| 219 | A | 97.9 | Very high | 97.2 | Very high | 36 Ų | 36 | 50.6 Ų | 50.6 | 30% | 0.298 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A62 L215 L216 L217 K222 E223 | A62-A219 HydrophobicContact CB-CB 4.07Å; L215-A219 PolarHBondContact O-N 3.17Å; L216-A219 WeakPolarHBondContact O-CB 3.43Å; L216-A219 PolarHBondContact O-N 3.14Å; L217-A219 VanDerWaalsContact C-N 3.34Å; A219-K222 PolarHBondContact O-N 3.18Å; A219-E223 PolarHBondContact O-N 3.1Å |
| 220 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | Q59 A62 L63 P140 L216 L217 K222 E223 T224 L233 | Q59-V220 HydrophobicContact CG-CG1 4.23Å; A62-V220 HydrophobicContact CB-CG2 3.83Å; L63-V220 HydrophobicContact CD2-CG1 3.91Å; L63-V220 HydrophobicContact CD2-CG2 3.82Å; L63-V220 HydrophobicContact CG-CG1 4.18Å; L63-V220 HydrophobicContact CG-CG2 4.01Å; P140-V220 HydrophobicContact CB-CG1 4.12Å; P140-V220 HydrophobicContact CG-CG1 4.17Å; L216-V220 WeakPolarHBondContact O-CG2 3.42Å; L216-V220 PolarHBondContact O-N 2.92Å; L216-V220 VanDerWaalsContact O-N 3.11Å; L217-V220 PolarHBondContact O-N 3.31Å; V220-K222 PolarHBondContact O-N 2.89Å; V220-E223 PolarHBondContact O-N 3.41Å; V220-T224 PolarHBondContact O-N 3.01Å; V220-T224 VanDerWaalsContact O-N 3.15Å; V220-T224 PolarHBondContact O-OG1 3.09Å; V220-L233 HydrophobicContact CB-CD2 4.46Å; V220-L233 HydrophobicContact CG1-CD1 3.93Å; V220-L233 HydrophobicContact CG1-CD2 4.03Å |
| 221 | L | 98 | Very high | 97.3 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 179.6 | 175.2 | 61.3 | 0 | 0 | 0 | 112.4 | L217 K218 E223 T224 Q230 L233 R234 L237 | L217-L221 WeakPolarHBondContact O-CB 3.31Å; L217-L221 PolarHBondContact O-N 3.17Å; K218-L221 PolarHBondContact O-N 2.94Å; L221-E223 PolarHBondContact O-N 3.35Å; L221-T224 PolarHBondContact O-N 3.31Å; L221-Q230 HydrophobicContact CD1-CB 3.85Å; L221-Q230 HydrophobicContact CD1-CG 3.92Å; L221-L233 HydrophobicContact CB-CB 4.24Å; L221-L233 HydrophobicContact CB-CD1 4.34Å; L221-L233 HydrophobicContact CD1-CB 3.91Å; L221-L233 HydrophobicContact CD1-CD1 4.34Å; L221-R234 HydrophobicContact CD1-CG 4.37Å; L221-R234 HydrophobicContact CD2-CG 3.83Å; L221-L237 HydrophobicContact CB-CD1 4.42Å; L221-L237 HydrophobicContact CD2-CD1 3.64Å |
| 222 | K | 97.2 | Very high | 97.4 | Very high | 155 Ų | 155 | 57.3 Ų | 57.3 | 67% | 0.674 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.6 | -37.7 | -179.7 | -176.4 | -175.3 | 174.1 | -173.4 | 0 | 112.3 | K55 K218 A219 V220 | K55-K222 WeakPolarHBondContact CE-O 3.35Å; K55-K222 PolarHBondContact NZ-O 3Å; K218-K222 WeakPolarHBondContact O-CB 3.36Å; K218-K222 PolarHBondContact O-N 2.95Å; A219-K222 PolarHBondContact O-N 3.18Å; V220-K222 PolarHBondContact O-N 2.89Å |
| 223 | E | 96.3 | Very high | 97.4 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -93.1 | -2.5 | -175.9 | -54.8 | -57.8 | 140.4 | 0 | 0 | 113.3 | K55 H58 Q59 A219 V220 L221 | K55-E223 WeakPolarHBondContact CE-O 3.48Å; K55-E223 HydrophobicContact CG-CB 4.38Å; K55-E223 WeakPolarHBondContact CG-O 3.47Å; K55-E223 WeakPolarHBondContact CG-OE2 3.42Å; H58-E223 HydrophobicContact CB-CB 4.22Å; H58-E223 HydrophobicContact CB-CG 3.71Å; H58-E223 WeakPolarHBondContact CB-OE2 3.2Å; H58-E223 IonicContact CG-OE2 3.25Å; H58-E223 IonicContact ND1-OE2 2.81Å; H58-E223 PolarHBondContact ND1-OE2 2.93Å; Q59-E223 HydrophobicContact CB-CB 3.82Å; A219-E223 PolarHBondContact O-N 3.1Å; V220-E223 PolarHBondContact O-N 3.41Å; L221-E223 PolarHBondContact O-N 3.35Å |
| 224 | T | 95.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -87.1 | 139.9 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | Q59 V220 L221 E226 V229 Q230 L233 | Q59-T224 PolarHBondContact NE2-OG1 2.77Å; V220-T224 PolarHBondContact O-N 3.01Å; V220-T224 VanDerWaalsContact O-N 3.15Å; V220-T224 PolarHBondContact O-OG1 3.09Å; L221-T224 PolarHBondContact O-N 3.31Å; T224-E226 WeakPolarHBondContact CG2-OE2 3.34Å; T224-V229 HydrophobicContact CG2-CB 3.77Å; T224-V229 HydrophobicContact CG2-CG1 3.7Å; T224-Q230 HydrophobicContact CG2-CG 3.99Å; T224-Q230 PolarHBondContact O-NE2 3.47Å; T224-L233 HydrophobicContact CG2-CD1 4.19Å | ||
| 225 | Q | 93.4 | Very high | 97.5 | Very high | 118 Ų | 118 | 59.8 Ų | 59.8 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | trans | -111.1 | -27.7 | -178.9 | -64.9 | -71 | 40.8 | 0 | 0 | 113.6 | K55 P227 | K55-Q225 VanDerWaalsContact CD-CD 3.46Å; K55-Q225 HydrophobicContact CD-CG 3.81Å; Q225-P227 VanDerWaalsContact O-CD 3.31Å; Q225-P227 WeakPolarHBondContact O-CD 3.37Å | ||
| 226 | E | 96.1 | Very high | 97.5 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | trans | -69 | 118.6 | -175.2 | -61.1 | 81.9 | -179.7 | 0 | 0 | 110.3 | T224 H228 V229 Q230 | T224-E226 WeakPolarHBondContact CG2-OE2 3.34Å; E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.45Å; E226-V229 HydrophobicContact CB-CB 4.06Å; E226-V229 HydrophobicContact CB-CG2 3.7Å; E226-V229 HydrophobicContact CG-CG2 4.38Å; E226-V229 PolarHBondContact O-N 2.95Å; E226-V229 VanDerWaalsContact O-N 3.14Å; E226-Q230 WeakPolarHBondContact O-CG 3.32Å; E226-Q230 PolarHBondContact O-N 3.01Å | ||
| 227 | P | 96.5 | Very high | 97.5 | Very high | 94 Ų | 94 | 55.3 Ų | 55.3 | 61% | 0.61 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.9 | -32.2 | -174.3 | -27.7 | 35.9 | 0 | 0 | 0 | 114.2 | Q225 R231 | Q225-P227 VanDerWaalsContact O-CD 3.31Å; Q225-P227 WeakPolarHBondContact O-CD 3.37Å; P227-R231 WeakPolarHBondContact O-CG 3.47Å; P227-R231 PolarHBondContact O-N 3.11Å |
| 228 | H | 97.2 | Very high | 97.5 | Very high | 107 Ų | 107 | 59.9 Ų | 59.9 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.8 | -43.2 | 176.8 | 74.7 | -82 | 0 | 0 | 0 | 111.9 | E226 R231 A232 | E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.45Å; H228-R231 PolarHBondContact O-N 3.1Å; H228-A232 PolarHBondContact O-N 3.18Å; H228-A232 VanDerWaalsContact O-N 3.15Å |
| 229 | V | 97.7 | Very high | 97.6 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.4 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | P140 M141 T224 E226 R231 A232 L233 | P140-V229 HydrophobicContact CB-CG1 3.84Å; P140-V229 HydrophobicContact CG-CG1 3.99Å; M141-V229 HydrophobicContact CG-CG1 4.42Å; M141-V229 HydrophobicContact CG-CG2 4.2Å; M141-V229 HydrophobicContact SD-CB 4.24Å; M141-V229 HydrophobicContact SD-CG1 4.04Å; M141-V229 HydrophobicContact SD-CG2 4.12Å; T224-V229 HydrophobicContact CG2-CB 3.77Å; T224-V229 HydrophobicContact CG2-CG1 3.7Å; E226-V229 HydrophobicContact CB-CB 4.06Å; E226-V229 HydrophobicContact CB-CG2 3.7Å; E226-V229 HydrophobicContact CG-CG2 4.38Å; E226-V229 PolarHBondContact O-N 2.95Å; E226-V229 VanDerWaalsContact O-N 3.14Å; V229-R231 VanDerWaalsContact C-N 3.29Å; V229-R231 PolarHBondContact O-N 3.34Å; V229-A232 PolarHBondContact O-N 2.96Å; V229-L233 HydrophobicContact CG1-CD1 3.95Å; V229-L233 HydrophobicContact CG1-CG 4.43Å; V229-L233 WeakPolarHBondContact O-CB 3.34Å; V229-L233 WeakPolarHBondContact O-CG 3.46Å; V229-L233 PolarHBondContact O-N 3.08Å |
| 230 | Q | 98.1 | Very high | 97.6 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -38.9 | 174.3 | -71.9 | -170.5 | -4.9 | 0 | 0 | 112.5 | L221 T224 E226 R234 | L221-Q230 HydrophobicContact CD1-CB 3.85Å; L221-Q230 HydrophobicContact CD1-CG 3.92Å; T224-Q230 HydrophobicContact CG2-CG 3.99Å; T224-Q230 PolarHBondContact O-NE2 3.47Å; E226-Q230 WeakPolarHBondContact O-CG 3.32Å; E226-Q230 PolarHBondContact O-N 3.01Å; Q230-R234 WeakPolarHBondContact O-CG 3.49Å; Q230-R234 PolarHBondContact O-N 3.28Å |
| 231 | R | 98.1 | Very high | 97.5 | Very high | 168 Ų | 168 | 56.6 Ų | 56.6 | 63% | 0.634 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.8 | -46 | 175.9 | -76.5 | -175.5 | -65.3 | 156.7 | 0.9 | 111.2 | P227 H228 V229 R234 A235 | P227-R231 WeakPolarHBondContact O-CG 3.47Å; P227-R231 PolarHBondContact O-N 3.11Å; H228-R231 PolarHBondContact O-N 3.1Å; V229-R231 VanDerWaalsContact C-N 3.29Å; V229-R231 PolarHBondContact O-N 3.34Å; R231-R234 PolarHBondContact O-N 2.88Å; R231-A235 PolarHBondContact O-N 2.86Å |
| 232 | A | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M141 E144 H228 V229 R234 A235 M236 | M141-A232 HydrophobicContact CE-CB 3.73Å; M141-A232 HydrophobicContact SD-CB 3.58Å; M141-A232 VanDerWaalsContact SD-CB 3.58Å; E144-A232 WeakPolarHBondContact OE1-CB 3.48Å; H228-A232 PolarHBondContact O-N 3.18Å; H228-A232 VanDerWaalsContact O-N 3.15Å; V229-A232 PolarHBondContact O-N 2.96Å; A232-R234 VanDerWaalsContact C-N 3.32Å; A232-R234 PolarHBondContact O-N 3.37Å; A232-A235 WeakPolarHBondContact O-CB 3.35Å; A232-A235 PolarHBondContact O-N 3.33Å; A232-M236 HydrophobicContact CB-CE 4.26Å; A232-M236 WeakPolarHBondContact O-CG 3.34Å; A232-M236 PolarHBondContact O-N 2.86Å |
| 233 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 176.7 | -76.1 | 165.5 | 0 | 0 | 0 | 113.3 | P140 L217 V220 L221 T224 V229 M236 L237 | P140-L233 HydrophobicContact CB-CD1 4.31Å; P140-L233 HydrophobicContact CB-CD2 4.41Å; L217-L233 HydrophobicContact CD2-CD2 4.29Å; V220-L233 HydrophobicContact CB-CD2 4.46Å; V220-L233 HydrophobicContact CG1-CD1 3.93Å; V220-L233 HydrophobicContact CG1-CD2 4.03Å; L221-L233 HydrophobicContact CB-CB 4.24Å; L221-L233 HydrophobicContact CB-CD1 4.34Å; L221-L233 HydrophobicContact CD1-CB 3.91Å; L221-L233 HydrophobicContact CD1-CD1 4.34Å; T224-L233 HydrophobicContact CG2-CD1 4.19Å; V229-L233 HydrophobicContact CG1-CD1 3.95Å; V229-L233 HydrophobicContact CG1-CG 4.43Å; V229-L233 WeakPolarHBondContact O-CB 3.34Å; V229-L233 WeakPolarHBondContact O-CG 3.46Å; V229-L233 PolarHBondContact O-N 3.08Å; L233-M236 HydrophobicContact CD2-CE 3.68Å; L233-M236 HydrophobicContact CD2-SD 4.39Å; L233-M236 HydrophobicContact CG-CE 3.98Å; L233-L237 WeakPolarHBondContact O-CB 3.39Å; L233-L237 WeakPolarHBondContact O-CG 3.4Å; L233-L237 PolarHBondContact O-N 3.21Å |
| 234 | R | 98.6 | Very high | 97.6 | Very high | 124 Ų | 124 | 50.5 Ų | 50.5 | 47% | 0.468 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 172.2 | -73.5 | 179.7 | -168.1 | 112.3 | 5.1 | 111.5 | L221 Q230 R231 A232 L237 T238 | L221-R234 HydrophobicContact CD1-CG 4.37Å; L221-R234 HydrophobicContact CD2-CG 3.83Å; Q230-R234 WeakPolarHBondContact O-CG 3.49Å; Q230-R234 PolarHBondContact O-N 3.28Å; R231-R234 PolarHBondContact O-N 2.88Å; A232-R234 VanDerWaalsContact C-N 3.32Å; A232-R234 PolarHBondContact O-N 3.37Å; R234-L237 WeakPolarHBondContact O-CB 3.5Å; R234-L237 PolarHBondContact O-N 3.23Å; R234-T238 PolarHBondContact O-N 3.25Å; R234-T238 PolarHBondContact O-OG1 3.2Å |
| 235 | A | 98.6 | Very high | 97.5 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 35% | 0.347 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L148 R231 A232 T238 T239 | L148-A235 HydrophobicContact CD2-CB 4.47Å; R231-A235 PolarHBondContact O-N 2.86Å; A232-A235 WeakPolarHBondContact O-CB 3.35Å; A232-A235 PolarHBondContact O-N 3.33Å; A235-T238 PolarHBondContact O-N 2.94Å; A235-T239 PolarHBondContact O-N 2.94Å; A235-T239 PolarHBondContact O-OG1 3.21Å |
| 236 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.2 | -49 | 171.8 | -68.8 | -172.3 | -114.1 | 0 | 0 | 111.2 | L143 E144 C147 L217 A232 L233 T238 T239 V240 | L143-M236 HydrophobicContact CB-SD 4.01Å; E144-M236 HydrophobicContact CB-CE 4.06Å; E144-M236 HydrophobicContact CB-SD 4.35Å; C147-M236 HydrophobicContact CB-CB 3.71Å; C147-M236 HydrophobicContact CB-CG 3.57Å; C147-M236 HydrophobicContact CB-SD 3.69Å; L217-M236 HydrophobicContact CD1-CB 4.27Å; L217-M236 HydrophobicContact CD2-SD 4.44Å; A232-M236 HydrophobicContact CB-CE 4.26Å; A232-M236 WeakPolarHBondContact O-CG 3.34Å; A232-M236 PolarHBondContact O-N 2.86Å; L233-M236 HydrophobicContact CD2-CE 3.68Å; L233-M236 HydrophobicContact CD2-SD 4.39Å; L233-M236 HydrophobicContact CG-CE 3.98Å; M236-T238 PolarHBondContact O-N 2.65Å; M236-T239 PolarHBondContact O-N 3.38Å; M236-V240 WeakPolarHBondContact O-CG2 3.39Å; M236-V240 PolarHBondContact O-N 3.45Å |
| 237 | L | 98.5 | Very high | 97.6 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 177.7 | -83.9 | 169.3 | 0 | 0 | 0 | 112.6 | P214 L217 K218 L221 L233 R234 T239 V240 N241 | P214-L237 HydrophobicContact CB-CD2 4.47Å; P214-L237 WeakPolarHBondContact O-CD2 3.4Å; L217-L237 HydrophobicContact CB-CD2 3.43Å; L217-L237 VanDerWaalsContact CB-CD2 3.43Å; L217-L237 HydrophobicContact CB-CG 3.79Å; L217-L237 HydrophobicContact CD1-CD2 4.22Å; L217-L237 HydrophobicContact CD1-CG 4.45Å; L217-L237 HydrophobicContact CG-CD2 4.49Å; K218-L237 HydrophobicContact CG-CD1 3.93Å; K218-L237 HydrophobicContact CG-CD2 3.89Å; L221-L237 HydrophobicContact CB-CD1 4.42Å; L221-L237 HydrophobicContact CD2-CD1 3.64Å; L233-L237 WeakPolarHBondContact O-CB 3.39Å; L233-L237 WeakPolarHBondContact O-CG 3.4Å; L233-L237 PolarHBondContact O-N 3.21Å; R234-L237 WeakPolarHBondContact O-CB 3.5Å; R234-L237 PolarHBondContact O-N 3.23Å; L237-T239 VanDerWaalsContact C-N 3.3Å; L237-T239 PolarHBondContact O-N 2.77Å; L237-V240 PolarHBondContact O-N 3.29Å; L237-N241 WeakPolarHBondContact O-CB 3.43Å; L237-N241 PolarHBondContact O-N 3.47Å; L237-N241 PolarHBondContact O-ND2 3.38Å |
| 238 | T | 98.6 | Very high | 97.2 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 59% | 0.589 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -58.8 | -44.5 | 176.2 | -64.6 | 0 | 0 | 0 | 0 | 110.8 | R234 A235 M236 N241 S242 | R234-T238 PolarHBondContact O-N 3.25Å; R234-T238 PolarHBondContact O-OG1 3.2Å; A235-T238 PolarHBondContact O-N 2.94Å; M236-T238 PolarHBondContact O-N 2.65Å; T238-N241 PolarHBondContact O-N 3.22Å; T238-S242 VanDerWaalsContact O-CB 3.26Å; T238-S242 WeakPolarHBondContact O-CB 3.28Å; T238-S242 PolarHBondContact O-N 3.43Å |
| 239 | T | 98.6 | Very high | 97 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 17% | 0.172 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 179.5 | -53.8 | 0 | 0 | 0 | 0 | 112 | C147 F150 H151 A235 M236 L237 S242 F243 | C147-T239 WeakPolarHBondContact O-CG2 3.18Å; F150-T239 HydrophobicContact CB-CG2 4.37Å; H151-T239 PolarHBondContact CE1-O 3.01Å; A235-T239 PolarHBondContact O-N 2.94Å; A235-T239 PolarHBondContact O-OG1 3.21Å; M236-T239 PolarHBondContact O-N 3.38Å; L237-T239 VanDerWaalsContact C-N 3.3Å; L237-T239 PolarHBondContact O-N 2.77Å; T239-S242 PolarHBondContact O-N 3.26Å; T239-F243 PolarHBondContact O-N 3.04Å |
| 240 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 179 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | C147 F150 P214 L217 M236 L237 F243 L244 | C147-V240 HydrophobicContact CB-CG2 4.49Å; F150-V240 HydrophobicContact CB-CG2 4.31Å; F150-V240 HydrophobicContact CD1-CG1 4.33Å; F150-V240 HydrophobicContact CD1-CG2 4.28Å; F150-V240 HydrophobicContact CD2-CG2 3.76Å; F150-V240 HydrophobicContact CE1-CG1 3.99Å; F150-V240 HydrophobicContact CE2-CG1 4.41Å; F150-V240 HydrophobicContact CE2-CG2 4.07Å; F150-V240 HydrophobicContact CG-CG2 3.87Å; F150-V240 HydrophobicContact CZ-CG1 4.04Å; F150-V240 HydrophobicContact CZ-CG2 4.46Å; P214-V240 HydrophobicContact CG-CG1 3.88Å; L217-V240 HydrophobicContact CD1-CB 4.48Å; L217-V240 HydrophobicContact CD1-CG2 3.86Å; M236-V240 WeakPolarHBondContact O-CG2 3.39Å; M236-V240 PolarHBondContact O-N 3.45Å; L237-V240 PolarHBondContact O-N 3.29Å; V240-F243 PolarHBondContact O-N 3.33Å; V240-L244 PolarHBondContact O-N 2.93Å |
| 241 | N | 97.8 | Very high | 96.2 | Very high | 48 Ų | 48 | 53 Ų | 53 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 176.7 | -71.9 | -54.9 | 0 | 0 | 0 | 111.6 | P214 L237 T238 F243 L244 E245 | P214-N241 WeakPolarHBondContact CB-OD1 3.44Å; L237-N241 WeakPolarHBondContact O-CB 3.43Å; L237-N241 PolarHBondContact O-N 3.47Å; L237-N241 PolarHBondContact O-ND2 3.38Å; T238-N241 PolarHBondContact O-N 3.22Å; N241-F243 PolarHBondContact O-N 3.49Å; N241-L244 WeakPolarHBondContact O-CB 3.3Å; N241-L244 PolarHBondContact O-N 3.07Å; N241-E245 WeakPolarHBondContact O-CG 3.4Å; N241-E245 PolarHBondContact O-N 2.9Å |
| 242 | S | 98.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.4 | -35.5 | 176.1 | 178 | 0 | 0 | 0 | 0 | 111.8 | T238 T239 E245 S246 | T238-S242 VanDerWaalsContact O-CB 3.26Å; T238-S242 WeakPolarHBondContact O-CB 3.28Å; T238-S242 PolarHBondContact O-N 3.43Å; T239-S242 PolarHBondContact O-N 3.26Å; S242-E245 PolarHBondContact O-N 3.05Å; S242-S246 WeakPolarHBondContact O-CB 3.17Å; S242-S246 PolarHBondContact O-N 3.41Å |
| 243 | F | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 172.8 | 175.1 | -102.8 | 0 | 0 | 0 | 112.5 | F150 H151 F154 H158 I210 T239 V240 N241 E245 S246 I247 | F150-F243 HydrophobicContact CD1-CB 3.8Å; F150-F243 AromaticContact CD1-CD1 3.4Å; F150-F243 HydrophobicContact CD1-CD1 3.4Å; F150-F243 HydrophobicContact CD1-CE1 4.08Å; F150-F243 AromaticContact CD1-CG 3.65Å; F150-F243 HydrophobicContact CD1-CG 3.65Å; F150-F243 HydrophobicContact CE1-CB 4.49Å; F150-F243 AromaticContact CE1-CD1 3.4Å; F150-F243 HydrophobicContact CE1-CD1 3.4Å; F150-F243 VanDerWaalsContact CE1-CD1 3.4Å; F150-F243 AromaticContact CE1-CE1 3.87Å; F150-F243 HydrophobicContact CE1-CE1 3.87Å; F150-F243 HydrophobicContact CE1-CG 4.15Å; H151-F243 HydrophobicContact CB-CD2 4.32Å; H151-F243 AromaticContact CD2-CD2 3.73Å; H151-F243 WeakPolarHBondContact NE2-CA 3.32Å; H151-F243 PolarHBondContact NE2-N 2.78Å; F154-F243 HydrophobicContact CB-CE1 3.9Å; F154-F243 HydrophobicContact CB-CE2 4.5Å; F154-F243 HydrophobicContact CB-CZ 3.75Å; F154-F243 VanDerWaalsContact O-CZ 3.25Å; F154-F243 WeakPolarHBondContact O-CZ 3.49Å; H158-F243 AromaticContact NE2-CE2 3.91Å; I210-F243 HydrophobicContact CD1-CE1 3.95Å; I210-F243 HydrophobicContact CG1-CD1 4.46Å; I210-F243 HydrophobicContact CG1-CE1 3.93Å; T239-F243 PolarHBondContact O-N 3.04Å; V240-F243 PolarHBondContact O-N 3.33Å; N241-F243 PolarHBondContact O-N 3.49Å; F243-E245 VanDerWaalsContact C-N 3.31Å; F243-E245 PolarHBondContact O-N 2.82Å; F243-S246 WeakPolarHBondContact O-CB 3.41Å; F243-S246 PolarHBondContact O-N 3.42Å; F243-S246 VanDerWaalsContact O-N 3.1Å; F243-S246 PolarHBondContact O-OG 3.01Å; F243-I247 HydrophobicContact CD1-CD1 4.17Å; F243-I247 HydrophobicContact CE1-CD1 3.57Å; F243-I247 HydrophobicContact CE1-CG1 4.2Å; F243-I247 HydrophobicContact CZ-CD1 3.92Å; F243-I247 HydrophobicContact CZ-CG1 4.15Å; F243-I247 PolarHBondContact O-N 2.59Å; F243-I247 VanDerWaalsContact O-N 3.08Å |
| 244 | L | 95.1 | Very high | 95 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 175.7 | -66.7 | 179.1 | 0 | 0 | 0 | 112 | I210 P214 V240 N241 S246 I247 N248 | I210-L244 HydrophobicContact CB-CD2 4.38Å; I210-L244 HydrophobicContact CG1-CD2 3.84Å; I210-L244 HydrophobicContact CG2-CD2 4.01Å; P214-L244 HydrophobicContact CG-CD1 3.51Å; V240-L244 PolarHBondContact O-N 2.93Å; N241-L244 WeakPolarHBondContact O-CB 3.3Å; N241-L244 PolarHBondContact O-N 3.07Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 3.45Å; L244-I247 HydrophobicContact CD2-CD1 4.29Å; L244-I247 PolarHBondContact O-N 2.65Å; L244-N248 PolarHBondContact O-N 3.21Å |
| 245 | E | 95.5 | Very high | 94.6 | Very high | 124 Ų | 124 | 55.2 Ų | 55.2 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.3 | -41.9 | 172.1 | -70.3 | 169.3 | -176.5 | 0 | 0 | 111 | N241 S242 F243 I247 N248 D249 | N241-E245 WeakPolarHBondContact O-CG 3.4Å; N241-E245 PolarHBondContact O-N 2.9Å; S242-E245 PolarHBondContact O-N 3.05Å; F243-E245 VanDerWaalsContact C-N 3.31Å; F243-E245 PolarHBondContact O-N 2.82Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 3.26Å; E245-N248 WeakPolarHBondContact O-CB 3.37Å; E245-N248 PolarHBondContact O-N 3.01Å; E245-N248 VanDerWaalsContact O-N 3.08Å; E245-D249 PolarHBondContact O-N 3.42Å |
| 246 | S | 96.2 | Very high | 94.2 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -31 | 177.7 | 83.6 | 0 | 0 | 0 | 0 | 113.5 | H158 S242 F243 L244 D249 F250 | H158-S246 VanDerWaalsContact CE1-C 3.43Å; H158-S246 PolarHBondContact CE1-O 3.41Å; H158-S246 PolarHBondContact CE1-OG 3.4Å; H158-S246 VanDerWaalsContact CE1-OG 3.22Å; S242-S246 WeakPolarHBondContact O-CB 3.17Å; S242-S246 PolarHBondContact O-N 3.41Å; F243-S246 WeakPolarHBondContact O-CB 3.41Å; F243-S246 PolarHBondContact O-N 3.42Å; F243-S246 VanDerWaalsContact O-N 3.1Å; F243-S246 PolarHBondContact O-OG 3.01Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 3.45Å; S246-D249 PolarHBondContact O-N 2.82Å; S246-F250 VanDerWaalsContact O-CB 3.32Å; S246-F250 WeakPolarHBondContact O-CB 3.46Å; S246-F250 PolarHBondContact O-N 3.2Å |
| 247 | I | 93.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 172.6 | -66.7 | 170.7 | 0 | 0 | 0 | 109.7 | C161 F243 L244 E245 D249 F250 M251 | C161-I247 HydrophobicContact CB-CG2 3.71Å; F243-I247 HydrophobicContact CD1-CD1 4.17Å; F243-I247 HydrophobicContact CE1-CD1 3.57Å; F243-I247 HydrophobicContact CE1-CG1 4.2Å; F243-I247 HydrophobicContact CZ-CD1 3.92Å; F243-I247 HydrophobicContact CZ-CG1 4.15Å; F243-I247 PolarHBondContact O-N 2.59Å; F243-I247 VanDerWaalsContact O-N 3.08Å; L244-I247 HydrophobicContact CD2-CD1 4.29Å; L244-I247 PolarHBondContact O-N 2.65Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 3.26Å; I247-D249 PolarHBondContact O-N 3.38Å; I247-F250 WeakPolarHBondContact O-CB 3.45Å; I247-F250 PolarHBondContact O-N 3.32Å; I247-M251 HydrophobicContact CG2-SD 4.22Å; I247-M251 WeakPolarHBondContact O-CG 3.32Å; I247-M251 PolarHBondContact O-N 3.46Å |
| 248 | N | 89.1 | Confident | 93.5 | Very high | 114 Ų | 114 | 62.1 Ų | 62.1 | 61% | 0.61 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.5 | -45.3 | 176.7 | -108.7 | 17.8 | 0 | 0 | 0 | 111.8 | L244 E245 F250 M251 K252 | L244-N248 PolarHBondContact O-N 3.21Å; E245-N248 WeakPolarHBondContact O-CB 3.37Å; E245-N248 PolarHBondContact O-N 3.01Å; E245-N248 VanDerWaalsContact O-N 3.08Å; N248-F250 VanDerWaalsContact C-N 3.29Å; N248-F250 PolarHBondContact O-N 3.04Å; N248-M251 PolarHBondContact O-N 2.94Å; N248-K252 WeakPolarHBondContact O-CB 3.49Å; N248-K252 PolarHBondContact O-N 2.93Å |
| 249 | D | 91.6 | Very high | 93.2 | Very high | 108 Ų | 108 | 60.2 Ų | 60.2 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.3 | -38 | 177 | -73.7 | -21.6 | 0 | 0 | 0 | 111.9 | E245 S246 I247 Y253 | E245-D249 PolarHBondContact O-N 3.42Å; S246-D249 PolarHBondContact O-N 2.82Å; I247-D249 PolarHBondContact O-N 3.38Å; D249-Y253 WeakPolarHBondContact O-CB 3.49Å; D249-Y253 PolarHBondContact O-N 3.47Å |
| 250 | F | 91.7 | Very high | 93 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 26% | 0.263 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 175.6 | 179.1 | -94.2 | 0 | 0 | 0 | 112.3 | H158 W162 S246 I247 N248 Y253 K254 | H158-F250 HydrophobicContact CB-CD1 3.72Å; H158-F250 HydrophobicContact CB-CD2 4.3Å; H158-F250 HydrophobicContact CB-CE1 3.88Å; H158-F250 HydrophobicContact CB-CE2 4.44Å; H158-F250 HydrophobicContact CB-CG 3.93Å; H158-F250 HydrophobicContact CB-CZ 4.23Å; H158-F250 WeakPolarHBondContact ND1-CB 3.46Å; H158-F250 AromaticContact ND1-CG 3.54Å; H158-F250 WeakPolarHBondContact O-CD1 3.36Å; H158-F250 WeakPolarHBondContact O-CE1 3.37Å; W162-F250 HydrophobicContact CB-CD1 4.41Å; W162-F250 HydrophobicContact CB-CE1 3.99Å; W162-F250 HydrophobicContact CG-CE1 4.34Å; S246-F250 VanDerWaalsContact O-CB 3.32Å; S246-F250 WeakPolarHBondContact O-CB 3.46Å; S246-F250 PolarHBondContact O-N 3.2Å; I247-F250 WeakPolarHBondContact O-CB 3.45Å; I247-F250 PolarHBondContact O-N 3.32Å; N248-F250 VanDerWaalsContact C-N 3.29Å; N248-F250 PolarHBondContact O-N 3.04Å; F250-Y253 WeakPolarHBondContact O-CB 3.46Å; F250-Y253 PolarHBondContact O-N 2.68Å; F250-K254 HydrophobicContact CD1-CG 4.25Å; F250-K254 HydrophobicContact CE1-CG 3.87Å; F250-K254 HydrophobicContact CZ-CD 4.35Å; F250-K254 HydrophobicContact CZ-CG 4.04Å; F250-K254 WeakPolarHBondContact O-CG 3.36Å; F250-K254 PolarHBondContact O-N 3Å |
| 251 | M | 89 | Confident | 92.8 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 176 | -69.2 | 175.3 | 68.4 | 0 | 0 | 110.6 | C161 W162 I247 N248 Y253 K254 D255 | C161-M251 HydrophobicContact CB-SD 4.18Å; W162-M251 HydrophobicContact CE3-CB 4.35Å; W162-M251 HydrophobicContact CE3-CG 4.42Å; I247-M251 HydrophobicContact CG2-SD 4.22Å; I247-M251 WeakPolarHBondContact O-CG 3.32Å; I247-M251 PolarHBondContact O-N 3.46Å; N248-M251 PolarHBondContact O-N 2.94Å; M251-Y253 VanDerWaalsContact C-N 3.32Å; M251-Y253 PolarHBondContact O-N 3.23Å; M251-K254 WeakPolarHBondContact O-CB 3.44Å; M251-K254 PolarHBondContact O-N 3.45Å; M251-D255 PolarHBondContact O-N 3.27Å |
| 252 | K | 88.3 | Confident | 92.5 | Very high | 117 Ų | 117 | 65.5 Ų | 65.5 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 175.7 | -178 | 179.6 | 177.6 | -178.4 | 0 | 112.4 | N248 K254 D255 E256 | N248-K252 WeakPolarHBondContact O-CB 3.49Å; N248-K252 PolarHBondContact O-N 2.93Å; K252-K254 VanDerWaalsContact C-N 3.29Å; K252-K254 PolarHBondContact O-N 2.97Å; K252-D255 PolarHBondContact O-N 3.35Å; K252-E256 WeakPolarHBondContact CE-OE1 3.16Å; K252-E256 WeakPolarHBondContact O-CB 3.31Å; K252-E256 VanDerWaalsContact O-CG 3.24Å; K252-E256 WeakPolarHBondContact O-CG 3.24Å; K252-E256 PolarHBondContact O-N 3.38Å |
| 253 | Y | 91.1 | Very high | 92.2 | Very high | 65 Ų | 65 | 64.4 Ų | 64.4 | 26% | 0.255 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 175.6 | 170.1 | -96.3 | 0 | 0 | 0 | 111.8 | D249 F250 M251 E256 Q257 K301 V303 | D249-Y253 WeakPolarHBondContact O-CB 3.49Å; D249-Y253 PolarHBondContact O-N 3.47Å; F250-Y253 WeakPolarHBondContact O-CB 3.46Å; F250-Y253 PolarHBondContact O-N 2.68Å; M251-Y253 VanDerWaalsContact C-N 3.32Å; M251-Y253 PolarHBondContact O-N 3.23Å; Y253-E256 PolarHBondContact O-N 3.13Å; Y253-Q257 HydrophobicContact CD1-CG 4.44Å; Y253-Q257 HydrophobicContact CE1-CG 3.97Å; Y253-Q257 HydrophobicContact CE2-CG 4.26Å; Y253-Q257 WeakPolarHBondContact O-CG 3.24Å; Y253-Q257 PolarHBondContact O-N 3Å; Y253-Q257 PolarHBondContact OH-NE2 3.44Å; Y253-K301 WeakPolarHBondContact CD2-O 3.46Å; Y253-K301 VanDerWaalsContact CE2-O 3.27Å; Y253-K301 WeakPolarHBondContact CE2-O 3.37Å; Y253-V303 HydrophobicContact CD2-CG2 3.47Å; Y253-V303 VanDerWaalsContact CD2-CG2 3.47Å; Y253-V303 HydrophobicContact CE2-CG2 3.3Å; Y253-V303 HydrophobicContact CG-CG2 4.45Å |
| 254 | K | 89.9 | Confident | 91.9 | Very high | 76 Ų | 76 | 65.3 Ų | 65.3 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 178.1 | -73.4 | -69.6 | -172.7 | 174.5 | 0 | 112.7 | W162 F250 M251 K252 E256 Q257 L258 | W162-K254 HydrophobicContact CD2-CB 3.62Å; W162-K254 HydrophobicContact CD2-CG 3.88Å; W162-K254 HydrophobicContact CE3-CB 3.43Å; W162-K254 VanDerWaalsContact CE3-CB 3.43Å; W162-K254 HydrophobicContact CE3-CG 4.09Å; W162-K254 HydrophobicContact CG-CG 4.32Å; W162-K254 HydrophobicContact CH2-CB 3.45Å; W162-K254 VanDerWaalsContact CH2-CB 3.45Å; W162-K254 HydrophobicContact CZ2-CB 3.64Å; W162-K254 HydrophobicContact CZ2-CG 4.45Å; W162-K254 HydrophobicContact CZ3-CB 3.34Å; W162-K254 HydrophobicContact CZ3-CG 4.45Å; F250-K254 HydrophobicContact CD1-CG 4.25Å; F250-K254 HydrophobicContact CE1-CG 3.87Å; F250-K254 HydrophobicContact CZ-CD 4.35Å; F250-K254 HydrophobicContact CZ-CG 4.04Å; F250-K254 WeakPolarHBondContact O-CG 3.36Å; F250-K254 PolarHBondContact O-N 3Å; M251-K254 WeakPolarHBondContact O-CB 3.44Å; M251-K254 PolarHBondContact O-N 3.45Å; K252-K254 VanDerWaalsContact C-N 3.29Å; K252-K254 PolarHBondContact O-N 2.97Å; K254-E256 VanDerWaalsContact C-N 3.34Å; K254-Q257 PolarHBondContact O-N 3.39Å; K254-L258 WeakPolarHBondContact O-CB 3.42Å; K254-L258 PolarHBondContact O-N 3.02Å |
| 255 | D | 89.1 | Confident | 91.6 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 172.8 | -72.2 | -32.1 | 0 | 0 | 0 | 111.5 | W162 M251 K252 Q257 L258 A259 | W162-D255 WeakPolarHBondContact CH2-OD1 3.4Å; W162-D255 WeakPolarHBondContact CZ3-OD1 3.37Å; M251-D255 PolarHBondContact O-N 3.27Å; K252-D255 PolarHBondContact O-N 3.35Å; D255-Q257 VanDerWaalsContact C-N 3.32Å; D255-Q257 PolarHBondContact O-N 2.91Å; D255-L258 PolarHBondContact O-N 3.38Å; D255-A259 WeakPolarHBondContact O-CB 3.48Å; D255-A259 PolarHBondContact O-N 2.98Å |
| 256 | E | 90.8 | Very high | 91.4 | Very high | 42 Ų | 42 | 68.8 Ų | 68.8 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.3 | -71.6 | 172.8 | 175.9 | 0 | 0 | 111.3 | K252 Y253 K254 A259 L260 V303 K305 | K252-E256 WeakPolarHBondContact CE-OE1 3.16Å; K252-E256 WeakPolarHBondContact O-CB 3.31Å; K252-E256 VanDerWaalsContact O-CG 3.24Å; K252-E256 WeakPolarHBondContact O-CG 3.24Å; K252-E256 PolarHBondContact O-N 3.38Å; Y253-E256 PolarHBondContact O-N 3.13Å; K254-E256 VanDerWaalsContact C-N 3.34Å; E256-A259 PolarHBondContact O-N 2.97Å; E256-L260 WeakPolarHBondContact O-CB 3.45Å; E256-L260 PolarHBondContact O-N 2.87Å; E256-V303 HydrophobicContact CB-CB 4.08Å; E256-V303 HydrophobicContact CB-CG1 4.13Å; E256-V303 HydrophobicContact CB-CG2 4.25Å; E256-K305 WeakPolarHBondContact OE1-CE 3.5Å; E256-K305 IonicContact OE1-NZ 3Å; E256-K305 PolarHBondContact OE1-NZ 3Å; E256-K305 WeakPolarHBondContact OE2-CE 3.42Å; E256-K305 IonicContact OE2-NZ 3.29Å; E256-K305 PolarHBondContact OE2-NZ 2.69Å |
| 257 | Q | 91.6 | Very high | 91.1 | Very high | 62 Ų | 62 | 68.9 Ų | 68.9 | 29% | 0.29 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 174.5 | -74.7 | -71.3 | 32.9 | 0 | 0 | 112.4 | Y253 K254 D255 A259 L260 Y261 V303 | Y253-Q257 HydrophobicContact CD1-CG 4.44Å; Y253-Q257 HydrophobicContact CE1-CG 3.97Å; Y253-Q257 HydrophobicContact CE2-CG 4.26Å; Y253-Q257 WeakPolarHBondContact O-CG 3.24Å; Y253-Q257 PolarHBondContact O-N 3Å; Y253-Q257 PolarHBondContact OH-NE2 3.44Å; K254-Q257 PolarHBondContact O-N 3.39Å; D255-Q257 VanDerWaalsContact C-N 3.32Å; D255-Q257 PolarHBondContact O-N 2.91Å; Q257-A259 VanDerWaalsContact C-N 3.35Å; Q257-L260 PolarHBondContact O-N 3.45Å; Q257-Y261 WeakPolarHBondContact O-CB 3.42Å; Q257-Y261 PolarHBondContact O-N 3.34Å; Q257-V303 HydrophobicContact CG-CG1 4.23Å; Q257-V303 HydrophobicContact CG-CG2 3.69Å |
| 258 | L | 91.4 | Very high | 90.8 | Very high | 94 Ų | 94 | 70.9 Ų | 70.9 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 178.2 | -178.6 | 59.9 | 0 | 0 | 0 | 111.3 | K254 D255 Y261 T262 | K254-L258 WeakPolarHBondContact O-CB 3.42Å; K254-L258 PolarHBondContact O-N 3.02Å; D255-L258 PolarHBondContact O-N 3.38Å; L258-Y261 PolarHBondContact O-N 3.21Å; L258-T262 WeakPolarHBondContact O-CB 3.27Å; L258-T262 PolarHBondContact O-N 3.19Å; L258-T262 PolarHBondContact O-OG1 3.23Å |
| 259 | A | 91.6 | Very high | 90.5 | Very high | 56 Ų | 56 | 67.9 Ų | 67.9 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D255 E256 Q257 Y261 T262 S263 | D255-A259 WeakPolarHBondContact O-CB 3.48Å; D255-A259 PolarHBondContact O-N 2.98Å; E256-A259 PolarHBondContact O-N 2.97Å; Q257-A259 VanDerWaalsContact C-N 3.35Å; A259-Y261 PolarHBondContact O-N 2.97Å; A259-T262 PolarHBondContact O-N 3.27Å; A259-S263 PolarHBondContact O-N 3.13Å; A259-S263 PolarHBondContact O-OG 3.11Å |
| 260 | L | 94.7 | Very high | 90.1 | Very high | 7 Ų | 7 | 67.7 Ų | 67.7 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 175.7 | 178 | 60.4 | 0 | 0 | 0 | 112 | E256 Q257 T262 S263 A264 L291 V303 R304 F326 | E256-L260 WeakPolarHBondContact O-CB 3.45Å; E256-L260 PolarHBondContact O-N 2.87Å; Q257-L260 PolarHBondContact O-N 3.45Å; L260-T262 VanDerWaalsContact C-N 3.33Å; L260-T262 PolarHBondContact O-N 3.32Å; L260-S263 PolarHBondContact O-N 3.38Å; L260-A264 WeakPolarHBondContact O-CB 3.39Å; L260-A264 PolarHBondContact O-N 3.48Å; L260-L291 HydrophobicContact CD1-CD2 4.22Å; L260-L291 HydrophobicContact CD1-CG 3.93Å; L260-V303 HydrophobicContact CB-CG1 4.14Å; L260-V303 HydrophobicContact CD2-CG1 3.77Å; L260-R304 HydrophobicContact CD1-CB 4.12Å; L260-R304 HydrophobicContact CD1-CG 4.18Å; L260-R304 WeakPolarHBondContact CD1-O 3.48Å; L260-R304 HydrophobicContact CD2-CB 3.91Å; L260-F326 HydrophobicContact CD1-CD1 4.35Å; L260-F326 HydrophobicContact CD1-CE1 4.06Å |
| 261 | Y | 93.1 | Very high | 89.3 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 49% | 0.49 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 177.8 | -178.8 | -103.1 | 0 | 0 | 0 | 111.7 | Q257 L258 A259 S263 A264 Q265 | Q257-Y261 WeakPolarHBondContact O-CB 3.42Å; Q257-Y261 PolarHBondContact O-N 3.34Å; L258-Y261 PolarHBondContact O-N 3.21Å; A259-Y261 PolarHBondContact O-N 2.97Å; Y261-S263 VanDerWaalsContact C-N 3.35Å; Y261-S263 PolarHBondContact O-N 2.81Å; Y261-A264 PolarHBondContact O-N 2.96Å; Y261-Q265 HydrophobicContact CD1-CG 4.38Å; Y261-Q265 HydrophobicContact CE1-CG 4.01Å; Y261-Q265 WeakPolarHBondContact O-CG 3.5Å; Y261-Q265 PolarHBondContact O-N 2.99Å; Y261-Q265 PolarHBondContact OH-NE2 3.1Å |
| 262 | T | 91.6 | Very high | 88.6 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | L258 A259 L260 | L258-T262 WeakPolarHBondContact O-CB 3.27Å; L258-T262 PolarHBondContact O-N 3.19Å; L258-T262 PolarHBondContact O-OG1 3.23Å; A259-T262 PolarHBondContact O-N 3.27Å; L260-T262 VanDerWaalsContact C-N 3.33Å; L260-T262 PolarHBondContact O-N 3.32Å |
| 263 | S | 92.3 | Very high | 87.9 | Confident | 27 Ų | 27 | 72 Ų | 72 | 19% | 0.189 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 172.8 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | A259 L260 Y261 Q265 K266 I267 | A259-S263 PolarHBondContact O-N 3.13Å; A259-S263 PolarHBondContact O-OG 3.11Å; L260-S263 PolarHBondContact O-N 3.38Å; Y261-S263 VanDerWaalsContact C-N 3.35Å; Y261-S263 PolarHBondContact O-N 2.81Å; S263-Q265 VanDerWaalsContact C-N 3.34Å; S263-Q265 PolarHBondContact O-N 2.86Å; S263-K266 PolarHBondContact O-N 3.43Å; S263-K266 VanDerWaalsContact O-N 3.14Å; S263-I267 WeakPolarHBondContact O-CD1 3.44Å; S263-I267 WeakPolarHBondContact O-CG1 3.45Å |
| 264 | A | 91.7 | Very high | 86.9 | Confident | 20 Ų | 20 | 73.2 Ų | 73.2 | 17% | 0.165 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L260 Y261 K266 I267 L291 T292 | L260-A264 WeakPolarHBondContact O-CB 3.39Å; L260-A264 PolarHBondContact O-N 3.48Å; Y261-A264 PolarHBondContact O-N 2.96Å; A264-K266 PolarHBondContact O-N 2.92Å; A264-I267 PolarHBondContact O-N 3.37Å; A264-I267 VanDerWaalsContact O-N 3.09Å; A264-L291 HydrophobicContact CB-CB 4.31Å; A264-L291 HydrophobicContact CB-CD2 4.12Å; A264-T292 HydrophobicContact CB-CG2 3.73Å |
| 265 | Q | 90.6 | Very high | 86.4 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.3 | -24.8 | 177.3 | -76.3 | -168.8 | -18.6 | 0 | 0 | 114.3 | Y261 S263 | Y261-Q265 HydrophobicContact CD1-CG 4.38Å; Y261-Q265 HydrophobicContact CE1-CG 4.01Å; Y261-Q265 WeakPolarHBondContact O-CG 3.5Å; Y261-Q265 PolarHBondContact O-N 2.99Å; Y261-Q265 PolarHBondContact OH-NE2 3.1Å; S263-Q265 VanDerWaalsContact C-N 3.34Å; S263-Q265 PolarHBondContact O-N 2.86Å |
| 266 | K | 90.3 | Very high | 86.3 | Confident | 123 Ų | 123 | 72 Ų | 72 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.8 | 178.8 | -63.5 | 176.2 | -176.1 | -178.8 | 0 | 112.7 | S263 A264 R341 L342 | S263-K266 PolarHBondContact O-N 3.43Å; S263-K266 VanDerWaalsContact O-N 3.14Å; A264-K266 PolarHBondContact O-N 2.92Å; K266-R341 WeakPolarHBondContact O-CA 3.43Å; K266-L342 PolarHBondContact O-N 3.34Å |
| 267 | I | 90.6 | Very high | 86 | Confident | 28 Ų | 28 | 78.3 Ų | 78.3 | 14% | 0.144 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.5 | -171.8 | -61.5 | 162.8 | 0 | 0 | 0 | 109.3 | S263 A264 L291 L324 F326 L331 L342 V344 | S263-I267 WeakPolarHBondContact O-CD1 3.44Å; S263-I267 WeakPolarHBondContact O-CG1 3.45Å; A264-I267 PolarHBondContact O-N 3.37Å; A264-I267 VanDerWaalsContact O-N 3.09Å; I267-L291 HydrophobicContact CD1-CD2 3.72Å; I267-L324 HydrophobicContact CD1-CD1 3.58Å; I267-L324 HydrophobicContact CG1-CD1 4.05Å; I267-F326 HydrophobicContact CD1-CZ 4.23Å; I267-L331 HydrophobicContact CD1-CD1 4.07Å; I267-L331 HydrophobicContact CG2-CD1 4.29Å; I267-L342 CarbonylContact C-O 3.6Å; I267-L342 WeakPolarHBondContact CA-O 3.42Å; I267-L342 HydrophobicContact CG1-CB 4.43Å; I267-V344 HydrophobicContact CG2-CG2 3.66Å |
| 268 | E | 87.2 | Confident | 85.8 | Confident | 52 Ų | 52 | 81.9 Ų | 81.9 | 24% | 0.243 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 140.3 | 171.4 | -66.5 | -176.8 | -178.7 | 0 | 0 | 109.9 | Q336 R341 L342 V344 | E268-Q336 PolarHBondContact OE2-NE2 2.87Å; E268-R341 WeakPolarHBondContact OE1-CD 3.14Å; E268-R341 IonicContact OE1-CZ 2.6Å; E268-R341 IonicContact OE1-NE 3.97Å; E268-R341 IonicContact OE1-NH1 3.27Å; E268-R341 PolarHBondContact OE1-NH1 3.14Å; E268-L342 PolarHBondContact N-O 3.11Å; E268-V344 VanDerWaalsContact O-CG2 3.31Å; E268-V344 WeakPolarHBondContact O-CG2 3.47Å; E268-V344 PolarHBondContact O-N 2.99Å |
| 269 | G | 82.8 | Confident | 85.4 | Confident | 52 Ų | 52 | 81 Ų | 81 | 54% | 0.536 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 165.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E271 | G269-E271 PolarHBondContact O-N 3.34Š|
| 270 | Y | 81.8 | Confident | 84.9 | Confident | 103 Ų | 103 | 79.9 Ų | 79.9 | 40% | 0.404 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 127 | 175.4 | -178.8 | -117.1 | 0 | 0 | 0 | 109.8 | V272 V344 F345 P347 | Y270-V272 HydrophobicContact CE1-CG2 3.98Å; Y270-V344 HydrophobicContact CD2-CG1 4.19Å; Y270-V344 HydrophobicContact CG-CG1 4.36Å; Y270-F345 WeakPolarHBondContact CE2-O 3.48Å; Y270-P347 HydrophobicContact CD1-CG 4.11Å; Y270-P347 HydrophobicContact CE1-CG 3.72Å |
| 271 | E | 76.3 | Confident | 84.3 | Confident | 95 Ų | 95 | 85.8 Ų | 85.8 | 44% | 0.444 | 45% | 0.448 | S | S | . | . | trans | -109.6 | 136.1 | 171.3 | -74.1 | 176.6 | -166.5 | 0 | 0 | 109.2 | G269 K343 | G269-E271 PolarHBondContact O-N 3.34Å; E271-K343 VanDerWaalsContact CD-NZ 3.32Å; E271-K343 IonicContact OE1-NZ 3.14Å; E271-K343 WeakPolarHBondContact OE2-CE 3.18Å; E271-K343 IonicContact OE2-NZ 2.79Å; E271-K343 PolarHBondContact OE2-NZ 3.33Å | ||
| 272 | V | 74.4 | Confident | 83.9 | Confident | 54 Ų | 54 | 84.7 Ų | 84.7 | 33% | 0.327 | 45% | 0.45 | S | S | . | . | trans | -81.5 | 123 | 174 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | Y270 I275 V283 | Y270-V272 HydrophobicContact CE1-CG2 3.98Å; V272-I275 HydrophobicContact CB-CD1 3.71Å; V272-I275 HydrophobicContact CB-CG1 4.17Å; V272-I275 HydrophobicContact CG1-CD1 4.16Å; V272-I275 HydrophobicContact CG1-CG1 4.35Å; V272-I275 HydrophobicContact CG1-CG2 4.01Å; V272-I275 HydrophobicContact CG2-CD1 4.48Å; V272-I275 WeakPolarHBondContact O-CG1 3.49Å; V272-V283 HydrophobicContact CG2-CG1 4.15Å | ||
| 273 | E | 72.9 | Confident | 83.3 | Confident | 175 Ų | 175 | 84.4 Ų | 84.4 | 82% | 0.818 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 142.3 | 178.4 | -67.6 | -177.9 | 177.8 | 0 | 0 | 111.2 | ||
| 274 | G | 71.3 | Confident | 82.6 | Confident | 90 Ų | 90 | 88.3 Ų | 88.3 | 93% | 0.928 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 12 | 169 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 275 | I | 79.3 | Confident | 82 | Confident | 53 Ų | 53 | 92 Ų | 92 | 27% | 0.272 | 48% | 0.475 | S | S | . | . | trans | -99.6 | 149.4 | 173 | 58.1 | 170.5 | 0 | 0 | 0 | 111.4 | V272 I279 D280 V283 | V272-I275 HydrophobicContact CB-CD1 3.71Å; V272-I275 HydrophobicContact CB-CG1 4.17Å; V272-I275 HydrophobicContact CG1-CD1 4.16Å; V272-I275 HydrophobicContact CG1-CG1 4.35Å; V272-I275 HydrophobicContact CG1-CG2 4.01Å; V272-I275 HydrophobicContact CG2-CD1 4.48Å; V272-I275 WeakPolarHBondContact O-CG1 3.49Å; I275-I279 HydrophobicContact CB-CB 4.16Å; I275-I279 HydrophobicContact CB-CG2 3.92Å; I275-I279 HydrophobicContact CD1-CG2 4.03Å; I275-I279 HydrophobicContact CG2-CG2 3.96Å; I275-D280 VanDerWaalsContact CD1-CA 3.47Å; I275-D280 HydrophobicContact CD1-CB 3.71Å; I275-D280 HydrophobicContact CG1-CB 4.02Å; I275-V283 HydrophobicContact CD1-CG2 4.28Å | ||
| 276 | N | 86.4 | Confident | 81.4 | Confident | 88 Ų | 88 | 90.4 Ų | 90.4 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | trans | -76 | 167.2 | 176.5 | 68.9 | 13.7 | 0 | 0 | 0 | 111.2 | E278 I279 D280 | N276-E278 PolarHBondContact O-N 3.25Å; N276-E278 PolarHBondContact OD1-N 2.98Å; N276-I279 PolarHBondContact O-N 3.02Å; N276-I279 WeakPolarHBondContact OD1-CB 3.43Å; N276-I279 WeakPolarHBondContact OD1-CD1 2.98Å; N276-I279 WeakPolarHBondContact OD1-CG1 3.45Å; N276-I279 PolarHBondContact OD1-N 3.06Å; N276-D280 VanDerWaalsContact O-CB 3.22Å; N276-D280 WeakPolarHBondContact O-CB 3.41Å; N276-D280 PolarHBondContact O-N 2.89Å | ||
| 277 | E | 85.1 | Confident | 80.3 | Confident | 173 Ų | 173 | 89 Ų | 89 | 81% | 0.808 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.5 | -33.1 | -176.4 | -67 | -178 | 174.6 | 0 | 0 | 113.6 | K281 | E277-K281 WeakPolarHBondContact O-CB 3.31Å; E277-K281 PolarHBondContact O-N 3.15Å |
| 278 | E | 87.6 | Confident | 79.2 | Confident | 138 Ų | 138 | 96.6 Ų | 96.6 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.3 | -51.2 | 178 | -175.9 | -178.9 | -177 | 0 | 0 | 111.4 | N276 D280 K281 I282 | N276-E278 PolarHBondContact O-N 3.25Å; N276-E278 PolarHBondContact OD1-N 2.98Å; E278-D280 VanDerWaalsContact C-N 3.32Å; E278-D280 PolarHBondContact O-N 2.86Å; E278-K281 WeakPolarHBondContact O-CB 3.19Å; E278-K281 PolarHBondContact O-N 3.46Å; E278-I282 HydrophobicContact CG-CD1 4.41Å; E278-I282 WeakPolarHBondContact O-CG1 3.12Å; E278-I282 PolarHBondContact O-N 3.4Å |
| 279 | I | 82.4 | Confident | 78.8 | Confident | 76 Ų | 76 | 98.8 Ų | 98.8 | 39% | 0.39 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 178.2 | -64.9 | 167.5 | 0 | 0 | 0 | 110.3 | I275 N276 K281 I282 V283 | I275-I279 HydrophobicContact CB-CB 4.16Å; I275-I279 HydrophobicContact CB-CG2 3.92Å; I275-I279 HydrophobicContact CD1-CG2 4.03Å; I275-I279 HydrophobicContact CG2-CG2 3.96Å; N276-I279 PolarHBondContact O-N 3.02Å; N276-I279 WeakPolarHBondContact OD1-CB 3.43Å; N276-I279 WeakPolarHBondContact OD1-CD1 2.98Å; N276-I279 WeakPolarHBondContact OD1-CG1 3.45Å; N276-I279 PolarHBondContact OD1-N 3.06Å; I279-K281 VanDerWaalsContact C-N 3.32Å; I279-K281 PolarHBondContact O-N 3.34Å; I279-I282 PolarHBondContact O-N 3.49Å; I279-I282 VanDerWaalsContact O-N 3.15Å; I279-V283 HydrophobicContact CG2-CG2 4.24Å; I279-V283 WeakPolarHBondContact O-CG2 3.3Å; I279-V283 PolarHBondContact O-N 3.38Å |
| 280 | D | 81 | Confident | 78.9 | Confident | 32 Ų | 32 | 100 Ų | 100 | 17% | 0.171 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 178.1 | -175.5 | 36.4 | 0 | 0 | 0 | 111.9 | I275 N276 E278 R284 | I275-D280 VanDerWaalsContact CD1-CA 3.47Å; I275-D280 HydrophobicContact CD1-CB 3.71Å; I275-D280 HydrophobicContact CG1-CB 4.02Å; N276-D280 VanDerWaalsContact O-CB 3.22Å; N276-D280 WeakPolarHBondContact O-CB 3.41Å; N276-D280 PolarHBondContact O-N 2.89Å; E278-D280 VanDerWaalsContact C-N 3.32Å; E278-D280 PolarHBondContact O-N 2.86Å; D280-R284 WeakPolarHBondContact O-CB 3.47Å; D280-R284 WeakPolarHBondContact O-CG 3.44Å; D280-R284 PolarHBondContact O-N 2.9Å; D280-R284 IonicContact OD1-CZ 2.74Å; D280-R284 IonicContact OD1-NH1 2.92Å; D280-R284 PolarHBondContact OD1-NH1 2.97Å; D280-R284 VanDerWaalsContact OD1-NH1 3.1Å; D280-R284 IonicContact OD1-NH2 2.95Å; D280-R284 IonicContact OD2-CZ 3.31Å; D280-R284 IonicContact OD2-NH1 3.56Å; D280-R284 PolarHBondContact OD2-NH1 3.37Å; D280-R284 IonicContact OD2-NH2 3.94Å; D280-R284 PolarHBondContact OD2-NH2 3.31Å |
| 281 | K | 82.6 | Confident | 79.2 | Confident | 130 Ų | 130 | 95.7 Ų | 95.7 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -47.5 | 169.7 | -172.7 | -178.6 | 178.7 | -174.4 | 0 | 111.8 | E277 E278 I279 V283 R284 D285 | E277-K281 WeakPolarHBondContact O-CB 3.31Å; E277-K281 PolarHBondContact O-N 3.15Å; E278-K281 WeakPolarHBondContact O-CB 3.19Å; E278-K281 PolarHBondContact O-N 3.46Å; I279-K281 VanDerWaalsContact C-N 3.32Å; I279-K281 PolarHBondContact O-N 3.34Å; K281-V283 VanDerWaalsContact C-N 3.34Å; K281-V283 PolarHBondContact O-N 3.41Å; K281-R284 PolarHBondContact O-N 2.95Å; K281-D285 WeakPolarHBondContact O-CB 3.38Å; K281-D285 PolarHBondContact O-N 3.39Å |
| 282 | I | 83.4 | Confident | 79.9 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 178.4 | -65.6 | 164.7 | 0 | 0 | 0 | 111 | E278 I279 D285 A286 | E278-I282 HydrophobicContact CG-CD1 4.41Å; E278-I282 WeakPolarHBondContact O-CG1 3.12Å; E278-I282 PolarHBondContact O-N 3.4Å; I279-I282 PolarHBondContact O-N 3.49Å; I279-I282 VanDerWaalsContact O-N 3.15Å; I282-D285 PolarHBondContact O-N 3.38Å; I282-A286 WeakPolarHBondContact O-CB 3.08Å; I282-A286 PolarHBondContact O-N 3.44Å |
| 283 | V | 79.9 | Confident | 80.5 | Confident | 49 Ų | 49 | 98.7 Ų | 98.7 | 30% | 0.297 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.6 | 171 | 0 | 0 | 0 | 0 | 111 | V272 I275 I279 K281 D285 A286 C287 | V272-V283 HydrophobicContact CG2-CG1 4.15Å; I275-V283 HydrophobicContact CD1-CG2 4.28Å; I279-V283 HydrophobicContact CG2-CG2 4.24Å; I279-V283 WeakPolarHBondContact O-CG2 3.3Å; I279-V283 PolarHBondContact O-N 3.38Å; K281-V283 VanDerWaalsContact C-N 3.34Å; K281-V283 PolarHBondContact O-N 3.41Å; V283-D285 VanDerWaalsContact C-N 3.28Å; V283-D285 PolarHBondContact O-N 3.16Å; V283-A286 PolarHBondContact O-N 3Å; V283-C287 WeakPolarHBondContact O-CB 3.39Å; V283-C287 PolarHBondContact O-N 3.05Å |
| 284 | R | 76.8 | Confident | 81.2 | Confident | 110 Ų | 110 | 93.8 Ų | 93.8 | 42% | 0.415 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -30.5 | 174.8 | -80.9 | -169.3 | -71.1 | -97.3 | -8.3 | 113.6 | D280 K281 R288 | D280-R284 WeakPolarHBondContact O-CB 3.47Å; D280-R284 WeakPolarHBondContact O-CG 3.44Å; D280-R284 PolarHBondContact O-N 2.9Å; D280-R284 IonicContact OD1-CZ 2.74Å; D280-R284 IonicContact OD1-NH1 2.92Å; D280-R284 PolarHBondContact OD1-NH1 2.97Å; D280-R284 VanDerWaalsContact OD1-NH1 3.1Å; D280-R284 IonicContact OD1-NH2 2.95Å; D280-R284 IonicContact OD2-CZ 3.31Å; D280-R284 IonicContact OD2-NH1 3.56Å; D280-R284 PolarHBondContact OD2-NH1 3.37Å; D280-R284 IonicContact OD2-NH2 3.94Å; D280-R284 PolarHBondContact OD2-NH2 3.31Å; K281-R284 PolarHBondContact O-N 2.95Å; R284-R288 WeakPolarHBondContact O-CG 3.43Å; R284-R288 PolarHBondContact O-NE 3.15Å |
| 285 | D | 79.1 | Confident | 82 | Confident | 96 Ų | 96 | 90.4 Ų | 90.4 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -79.6 | -30.2 | 177.4 | -71.1 | -18.8 | 0 | 0 | 0 | 111.6 | K281 I282 V283 R288 | K281-D285 WeakPolarHBondContact O-CB 3.38Å; K281-D285 PolarHBondContact O-N 3.39Å; I282-D285 PolarHBondContact O-N 3.38Å; V283-D285 VanDerWaalsContact C-N 3.28Å; V283-D285 PolarHBondContact O-N 3.16Å; D285-R288 IonicContact OD1-CZ 3.67Å; D285-R288 IonicContact OD1-NH2 3.83Å; D285-R288 PolarHBondContact OD1-NH2 2.88Å |
| 286 | A | 77.5 | Confident | 82.2 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -82.2 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | I282 V283 | I282-A286 WeakPolarHBondContact O-CB 3.08Å; I282-A286 PolarHBondContact O-N 3.44Å; V283-A286 PolarHBondContact O-N 3Å |
| 287 | C | 68.9 | Low | 82 | Confident | 95 Ų | 95 | 99.1 Ų | 99.1 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | trans | -129.9 | 85.8 | -167.3 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | V283 | V283-C287 WeakPolarHBondContact O-CB 3.39Å; V283-C287 PolarHBondContact O-N 3.05Å | ||
| 288 | R | 67.5 | Low | 82 | Confident | 187 Ų | 187 | 94.2 Ų | 94.2 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | trans | -110 | 84.1 | 172.6 | -61.2 | -169.2 | -179.7 | -174.2 | 2.8 | 110.6 | R284 D285 D290 | R284-R288 WeakPolarHBondContact O-CG 3.43Å; R284-R288 PolarHBondContact O-NE 3.15Å; D285-R288 IonicContact OD1-CZ 3.67Å; D285-R288 IonicContact OD1-NH2 3.83Å; D285-R288 PolarHBondContact OD1-NH2 2.88Å; R288-D290 PolarHBondContact O-N 3.38Å | ||
| 289 | F | 77.6 | Confident | 81.8 | Confident | 98 Ų | 98 | 90.2 Ų | 90.2 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | trans | -71.2 | 111.4 | 162 | 177.8 | -96.3 | 0 | 0 | 0 | 108.2 | L291 V329 L331 P348 | F289-L291 HydrophobicContact CE1-CB 4.2Å; F289-L291 HydrophobicContact CE1-CD1 3.93Å; F289-L291 HydrophobicContact CZ-CD1 4Å; F289-V329 HydrophobicContact CE2-CG2 4.36Å; F289-V329 HydrophobicContact CZ-CB 4.35Å; F289-V329 HydrophobicContact CZ-CG1 3.98Å; F289-V329 HydrophobicContact CZ-CG2 4.01Å; F289-L331 HydrophobicContact CE1-CD2 4.16Å; F289-P348 HydrophobicContact CB-CG 4.17Å; F289-P348 HydrophobicContact CD1-CB 4.06Å; F289-P348 HydrophobicContact CD1-CG 3.55Å; F289-P348 HydrophobicContact CD2-CB 4.39Å; F289-P348 HydrophobicContact CD2-CG 4.49Å; F289-P348 HydrophobicContact CE1-CB 4.2Å; F289-P348 HydrophobicContact CE1-CG 4.09Å; F289-P348 HydrophobicContact CG-CB 4.17Å; F289-P348 HydrophobicContact CG-CG 3.8Å; F289-P348 HydrophobicContact CZ-CB 4.45Å | ||
| 290 | D | 85 | Confident | 81.7 | Confident | 78 Ų | 78 | 91.2 Ų | 91.2 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | trans | -108.1 | 118.9 | 173 | -177.9 | -16.3 | 0 | 0 | 0 | 108.5 | R288 T292 Y293 | R288-D290 PolarHBondContact O-N 3.38Å; D290-T292 VanDerWaalsContact CG-OG1 3.26Å; D290-T292 PolarHBondContact O-N 2.93Å; D290-T292 VanDerWaalsContact O-N 3.15Å; D290-T292 WeakPolarHBondContact OD1-CB 3.48Å; D290-T292 PolarHBondContact OD1-N 3.39Å; D290-T292 PolarHBondContact OD1-OG1 2.92Å; D290-T292 PolarHBondContact OD2-OG1 3.35Å; D290-Y293 VanDerWaalsContact O-CB 3.32Å; D290-Y293 WeakPolarHBondContact O-CB 3.3Å; D290-Y293 PolarHBondContact O-N 3.38Å | ||
| 291 | L | 89.3 | Confident | 81.8 | Confident | 11 Ų | 11 | 98.1 Ų | 98.1 | 6% | 0.058 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -19.1 | -179 | -169.7 | 67.3 | 0 | 0 | 0 | 112.7 | L260 A264 I267 F289 R304 F326 V329 L331 | L260-L291 HydrophobicContact CD1-CD2 4.22Å; L260-L291 HydrophobicContact CD1-CG 3.93Å; A264-L291 HydrophobicContact CB-CB 4.31Å; A264-L291 HydrophobicContact CB-CD2 4.12Å; I267-L291 HydrophobicContact CD1-CD2 3.72Å; F289-L291 HydrophobicContact CE1-CB 4.2Å; F289-L291 HydrophobicContact CE1-CD1 3.93Å; F289-L291 HydrophobicContact CZ-CD1 4Å; L291-R304 VanDerWaalsContact CD1-CD 3.43Å; L291-R304 PolarHBondContact O-NH1 3.41Å; L291-F326 HydrophobicContact CD1-CD1 4.28Å; L291-F326 HydrophobicContact CD1-CD2 4.09Å; L291-F326 HydrophobicContact CD1-CE1 4.22Å; L291-F326 HydrophobicContact CD1-CE2 4.03Å; L291-F326 HydrophobicContact CD1-CG 4.22Å; L291-F326 HydrophobicContact CD1-CZ 4.11Å; L291-F326 HydrophobicContact CD2-CE1 3.89Å; L291-F326 HydrophobicContact CD2-CE2 4.1Å; L291-F326 HydrophobicContact CD2-CZ 3.54Å; L291-F326 HydrophobicContact CG-CE1 4.38Å; L291-F326 HydrophobicContact CG-CZ 4.34Å; L291-V329 HydrophobicContact CD1-CG1 4.11Å; L291-L331 HydrophobicContact CD1-CD1 4.18Å; L291-L331 HydrophobicContact CD2-CD1 4.48Å |
| 292 | T | 89.9 | Confident | 82.1 | Confident | 58 Ų | 58 | 95.5 Ų | 95.5 | 36% | 0.356 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -9.6 | 177.1 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | A264 D290 | A264-T292 HydrophobicContact CB-CG2 3.73Å; D290-T292 VanDerWaalsContact CG-OG1 3.26Å; D290-T292 PolarHBondContact O-N 2.93Å; D290-T292 VanDerWaalsContact O-N 3.15Å; D290-T292 WeakPolarHBondContact OD1-CB 3.48Å; D290-T292 PolarHBondContact OD1-N 3.39Å; D290-T292 PolarHBondContact OD1-OG1 2.92Å; D290-T292 PolarHBondContact OD2-OG1 3.35Å |
| 293 | Y | 88.1 | Confident | 82.6 | Confident | 154 Ų | 154 | 90.8 Ų | 90.8 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -69.9 | 142.9 | 179.1 | -156.5 | -100.8 | 0 | 0 | 0 | 111.2 | D290 R304 | D290-Y293 VanDerWaalsContact O-CB 3.32Å; D290-Y293 WeakPolarHBondContact O-CB 3.3Å; D290-Y293 PolarHBondContact O-N 3.38Å; Y293-R304 PolarHBondContact O-NH1 2.88Å; Y293-R304 PolarHBondContact O-NH2 3.47Å |
| 294 | P | 87.3 | Confident | 83.2 | Confident | 72 Ų | 72 | 89 Ų | 89 | 47% | 0.468 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 142.3 | 178.9 | -28 | 35.1 | 0 | 0 | 0 | 113.1 | R296 | P294-R296 PolarHBondContact O-N 3.24Š|
| 295 | I | 88.6 | Confident | 84.1 | Confident | 20 Ų | 20 | 87.7 Ų | 87.7 | 10% | 0.103 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -64 | 125.1 | 175.9 | -53.8 | 174 | 0 | 0 | 0 | 108.3 | V298 V302 R304 D328 | I295-V298 HydrophobicContact CB-CB 4.08Å; I295-V298 HydrophobicContact CB-CG2 4.08Å; I295-V298 HydrophobicContact CG2-CB 4.18Å; I295-V298 HydrophobicContact CG2-CG2 3.61Å; I295-V298 PolarHBondContact O-N 2.75Å; I295-V302 HydrophobicContact CD1-CG1 4.22Å; I295-R304 HydrophobicContact CD1-CB 4.17Å; I295-R304 HydrophobicContact CG1-CB 4.26Å; I295-D328 HydrophobicContact CD1-CB 4.21Å; I295-D328 HydrophobicContact CG1-CB 4.43Å; I295-D328 HydrophobicContact CG2-CB 3.81Å |
| 296 | R | 83.1 | Confident | 84.9 | Confident | 230 Ų | 230 | 86 Ų | 86 | 87% | 0.868 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 138.3 | -178.6 | -69.4 | -172.4 | 178.9 | -169.4 | 1 | 110.5 | P294 V298 | P294-R296 PolarHBondContact O-N 3.24Å; R296-V298 PolarHBondContact O-N 3.25Å |
| 297 | G | 82.4 | Confident | 85.8 | Confident | 94 Ų | 94 | 86.3 Ų | 86.3 | 97% | 0.969 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 0.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 298 | V | 84.5 | Confident | 87.1 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 42% | 0.418 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -111.8 | 148.5 | 176.6 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | I295 R296 V302 | I295-V298 HydrophobicContact CB-CB 4.08Å; I295-V298 HydrophobicContact CB-CG2 4.08Å; I295-V298 HydrophobicContact CG2-CB 4.18Å; I295-V298 HydrophobicContact CG2-CG2 3.61Å; I295-V298 PolarHBondContact O-N 2.75Å; R296-V298 PolarHBondContact O-N 3.25Å; V298-V302 HydrophobicContact CG1-CB 3.59Å; V298-V302 HydrophobicContact CG1-CG1 3.95Å; V298-V302 HydrophobicContact CG1-CG2 3.49Å; V298-V302 VanDerWaalsContact CG1-CG2 3.49Å |
| 299 | G | 83.2 | Confident | 88.5 | Confident | 54 Ų | 54 | 80.3 Ų | 80.3 | 56% | 0.557 | 43% | 0.433 | S | S | * | . | trans | -59 | 146.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K301 V302 | G299-K301 PolarHBondContact O-N 3.46Å; G299-V302 PolarHBondContact O-N 3.47Å | ||
| 300 | S | 80.9 | Confident | 89.3 | Confident | 97 Ų | 97 | 76.8 Ų | 76.8 | 68% | 0.678 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -11.3 | -174.3 | 56.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 301 | K | 82.8 | Confident | 89.8 | Confident | 177 Ų | 177 | 78 Ų | 78 | 77% | 0.77 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -6.5 | 176.5 | -64.8 | -173.1 | 177.6 | -175.7 | 0 | 113.6 | Y253 G299 | Y253-K301 WeakPolarHBondContact CD2-O 3.46Å; Y253-K301 VanDerWaalsContact CE2-O 3.27Å; Y253-K301 WeakPolarHBondContact CE2-O 3.37Å; G299-K301 PolarHBondContact O-N 3.46Å |
| 302 | V | 89.3 | Confident | 90.1 | Very high | 76 Ų | 76 | 77.6 Ų | 77.6 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 121.4 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | I295 V298 G299 | I295-V302 HydrophobicContact CD1-CG1 4.22Å; V298-V302 HydrophobicContact CG1-CB 3.59Å; V298-V302 HydrophobicContact CG1-CG1 3.95Å; V298-V302 HydrophobicContact CG1-CG2 3.49Å; V298-V302 VanDerWaalsContact CG1-CG2 3.49Å; G299-V302 PolarHBondContact O-N 3.47Å |
| 303 | V | 92.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.024 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -94.2 | 136 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | Y253 E256 Q257 L260 K305 | Y253-V303 HydrophobicContact CD2-CG2 3.47Å; Y253-V303 VanDerWaalsContact CD2-CG2 3.47Å; Y253-V303 HydrophobicContact CE2-CG2 3.3Å; Y253-V303 HydrophobicContact CG-CG2 4.45Å; E256-V303 HydrophobicContact CB-CB 4.08Å; E256-V303 HydrophobicContact CB-CG1 4.13Å; E256-V303 HydrophobicContact CB-CG2 4.25Å; Q257-V303 HydrophobicContact CG-CG1 4.23Å; Q257-V303 HydrophobicContact CG-CG2 3.69Å; L260-V303 HydrophobicContact CB-CG1 4.14Å; L260-V303 HydrophobicContact CD2-CG1 3.77Å; V303-K305 WeakPolarHBondContact O-CG 3.25Å; V303-K305 PolarHBondContact O-N 3.23Å |
| 304 | R | 94.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 73.2 Ų | 73.2 | 5% | 0.045 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 127.7 | 172.4 | 176.5 | 178.3 | -65.2 | 102.7 | 3.5 | 109.9 | L260 L291 Y293 I295 F326 S327 D328 | L260-R304 HydrophobicContact CD1-CB 4.12Å; L260-R304 HydrophobicContact CD1-CG 4.18Å; L260-R304 WeakPolarHBondContact CD1-O 3.48Å; L260-R304 HydrophobicContact CD2-CB 3.91Å; L291-R304 VanDerWaalsContact CD1-CD 3.43Å; L291-R304 PolarHBondContact O-NH1 3.41Å; Y293-R304 PolarHBondContact O-NH1 2.88Å; Y293-R304 PolarHBondContact O-NH2 3.47Å; I295-R304 HydrophobicContact CD1-CB 4.17Å; I295-R304 HydrophobicContact CG1-CB 4.26Å; R304-F326 HydrophobicContact CG-CB 3.72Å; R304-F326 HydrophobicContact CG-CD1 3.76Å; R304-F326 HydrophobicContact CG-CG 4.04Å; R304-S327 WeakPolarHBondContact CA-OG 3.33Å; R304-D328 VanDerWaalsContact CD-OD1 3.3Å; R304-D328 WeakPolarHBondContact CD-OD1 3.46Å; R304-D328 VanDerWaalsContact CG-OD1 3.26Å; R304-D328 WeakPolarHBondContact CG-OD1 3.43Å; R304-D328 IonicContact CZ-OD1 2.82Å; R304-D328 IonicContact CZ-OD2 2.92Å; R304-D328 VanDerWaalsContact CZ-OD2 3.31Å; R304-D328 VanDerWaalsContact NE-CG 3.3Å; R304-D328 IonicContact NE-OD1 2.65Å; R304-D328 PolarHBondContact NE-OD1 2.98Å; R304-D328 IonicContact NE-OD2 3.9Å; R304-D328 PolarHBondContact NE-OD2 3.4Å; R304-D328 VanDerWaalsContact NE-OD2 3.12Å; R304-D328 IonicContact NH2-OD1 3.33Å; R304-D328 IonicContact NH2-OD2 3.62Å; R304-D328 PolarHBondContact NH2-OD2 3.23Å |
| 305 | K | 94.5 | Very high | 90.8 | Very high | 81 Ų | 81 | 75.1 Ų | 75.1 | 35% | 0.352 | 40% | 0.4 | S | S | . | . | trans | -116.9 | 136.1 | -175.3 | -56.9 | -178.2 | -166.5 | -171.7 | 0 | 111.1 | E256 V303 L307 F326 S327 | E256-K305 WeakPolarHBondContact OE1-CE 3.5Å; E256-K305 IonicContact OE1-NZ 3Å; E256-K305 PolarHBondContact OE1-NZ 3Å; E256-K305 WeakPolarHBondContact OE2-CE 3.42Å; E256-K305 IonicContact OE2-NZ 3.29Å; E256-K305 PolarHBondContact OE2-NZ 2.69Å; V303-K305 WeakPolarHBondContact O-CG 3.25Å; V303-K305 PolarHBondContact O-N 3.23Å; K305-L307 HydrophobicContact CB-CD2 4.18Å; K305-L307 PolarHBondContact O-N 3.29Å; K305-F326 CarbonylContact O-C 3.38Å; K305-F326 WeakPolarHBondContact O-CA 3.35Å; K305-S327 PolarHBondContact N-OG 3.42Å; K305-S327 VanDerWaalsContact N-OG 3.14Å; K305-S327 PolarHBondContact O-N 3.39Å | ||
| 306 | L | 95.8 | Very high | 90.6 | Very high | 60 Ų | 60 | 78.4 Ų | 78.4 | 31% | 0.314 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 117 | 167.9 | -178.6 | 64.2 | 0 | 0 | 0 | 108.5 | L324 F326 | L306-L324 HydrophobicContact CD1-CB 3.88Å; L306-L324 HydrophobicContact CD1-CD2 4.26Å; L306-F326 HydrophobicContact CB-CD1 4.04Å; L306-F326 HydrophobicContact CB-CE1 3.75Å; L306-F326 HydrophobicContact CB-CZ 4.28Å; L306-F326 HydrophobicContact CD1-CD1 4.43Å; L306-F326 HydrophobicContact CD1-CD2 4.3Å; L306-F326 HydrophobicContact CD1-CE1 4.12Å; L306-F326 HydrophobicContact CD1-CE2 3.96Å; L306-F326 HydrophobicContact CD1-CZ 3.86Å; L306-F326 HydrophobicContact CG-CE1 4.48Å |
| 307 | L | 96.4 | Very high | 90.7 | Very high | 86 Ų | 86 | 70.1 Ų | 70.1 | 45% | 0.45 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -34.9 | -175.9 | -57.7 | -178.7 | 0 | 0 | 0 | 112.4 | K305 L325 A400 | K305-L307 HydrophobicContact CB-CD2 4.18Å; K305-L307 PolarHBondContact O-N 3.29Å; L307-L325 HydrophobicContact CB-CD2 4.41Å; L307-L325 HydrophobicContact CB-CG 4.36Å; L307-L325 PolarHBondContact N-O 2.87Å; L307-A400 HydrophobicContact CD1-CB 3.58Å |
| 308 | L | 96.6 | Very high | 90.6 | Very high | 41 Ų | 41 | 76.1 Ų | 76.1 | 22% | 0.215 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 138.4 | -178.2 | -166.8 | 60.6 | 0 | 0 | 0 | 110.9 | L325 T392 W393 A396 | L308-L325 HydrophobicContact CB-CB 4.01Å; L308-L325 HydrophobicContact CB-CD2 4.27Å; L308-L325 PolarHBondContact N-O 2.95Å; L308-L325 PolarHBondContact O-N 2.65Å; L308-T392 HydrophobicContact CD2-CG2 4.29Å; L308-W393 HydrophobicContact CB-CH2 4.25Å; L308-W393 HydrophobicContact CB-CZ2 4.39Å; L308-W393 HydrophobicContact CD2-CD2 3.42Å; L308-W393 VanDerWaalsContact CD2-CD2 3.42Å; L308-W393 HydrophobicContact CD2-CE3 3.85Å; L308-W393 HydrophobicContact CD2-CG 3.79Å; L308-W393 HydrophobicContact CD2-CH2 4.14Å; L308-W393 HydrophobicContact CD2-CZ2 3.75Å; L308-W393 HydrophobicContact CD2-CZ3 4.21Å; L308-W393 HydrophobicContact CG-CD2 4.34Å; L308-W393 HydrophobicContact CG-CH2 4.1Å; L308-W393 HydrophobicContact CG-CZ2 3.74Å; L308-A396 HydrophobicContact CD2-CB 4.21Å |
| 309 | E | 96 | Very high | 90.7 | Very high | 114 Ų | 114 | 74.2 Ų | 74.2 | 53% | 0.533 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.2 | 174.5 | 172.1 | 170.7 | 167.4 | 0 | 0 | 108.8 | V322 A323 L324 | E309-V322 HydrophobicContact CG-CG1 4.1Å; E309-A323 WeakPolarHBondContact CA-O 3.41Å; E309-L324 HydrophobicContact CB-CD2 3.89Å; E309-L324 HydrophobicContact CG-CD2 3.53Å |
| 310 | D | 95.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 77.1 Ų | 77.1 | 13% | 0.134 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 157.2 | 177.6 | -156.1 | 0.2 | 0 | 0 | 0 | 112.2 | L312 A323 K389 W393 | D310-L312 HydrophobicContact CB-CD2 4.44Å; D310-A323 PolarHBondContact N-O 3.38Å; D310-A323 VanDerWaalsContact N-O 3.16Å; D310-A323 PolarHBondContact O-N 3.22Å; D310-K389 IonicContact OD1-NZ 2.68Å; D310-K389 PolarHBondContact OD1-NZ 3.03Å; D310-K389 VanDerWaalsContact OD2-CD 3.3Å; D310-K389 WeakPolarHBondContact OD2-CD 3.45Å; D310-K389 VanDerWaalsContact OD2-CE 3.29Å; D310-K389 WeakPolarHBondContact OD2-CE 3.46Å; D310-K389 IonicContact OD2-NZ 3.79Å; D310-K389 PolarHBondContact OD2-NZ 3.45Å; D310-W393 HydrophobicContact CB-CZ2 3.6Å |
| 311 | N | 94.9 | Very high | 91.8 | Very high | 103 Ų | 103 | 72.6 Ų | 72.6 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117 | 172.8 | -69.3 | -82.1 | 0 | 0 | 0 | 109.7 | V321 V322 | N311-V321 CarbonylContact C-O 3.54Å; N311-V321 WeakPolarHBondContact CA-O 3.43Å; N311-V322 WeakPolarHBondContact OD1-CG2 3.36Å |
| 312 | L | 95.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 158.8 | -177.5 | -59.2 | -176.7 | 0 | 0 | 0 | 111.3 | D310 E320 V321 A323 L382 T384 W393 | D310-L312 HydrophobicContact CB-CD2 4.44Å; L312-E320 WeakPolarHBondContact O-CA 3.31Å; L312-V321 HydrophobicContact CB-CG2 4.22Å; L312-V321 PolarHBondContact N-O 3.34Å; L312-V321 PolarHBondContact O-N 3.22Å; L312-A323 HydrophobicContact CD1-CB 3.62Å; L312-A323 HydrophobicContact CG-CB 4.12Å; L312-L382 HydrophobicContact CD1-CB 4.17Å; L312-L382 HydrophobicContact CD1-CD1 3.82Å; L312-L382 HydrophobicContact CD1-CG 4.48Å; L312-T384 HydrophobicContact CD2-CG2 3.8Å; L312-W393 HydrophobicContact CD1-CD2 4.22Å; L312-W393 HydrophobicContact CD1-CZ2 4.06Å |
| 313 | K | 94.6 | Very high | 92.7 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.2 | 174.4 | -73.7 | 176 | -179.3 | -176.1 | 0 | 110.5 | E320 L382 V383 | K313-E320 HydrophobicContact CD-CG 4.46Å; K313-E320 WeakPolarHBondContact CE-OE1 3.42Å; K313-E320 HydrophobicContact CG-CG 3.81Å; K313-E320 IonicContact NZ-OE1 3.26Å; K313-E320 PolarHBondContact NZ-OE1 2.84Å; K313-L382 CarbonylContact O-C 3.59Å; K313-L382 WeakPolarHBondContact O-CA 3.3Å; K313-V383 HydrophobicContact CB-CB 4.2Å; K313-V383 PolarHBondContact N-O 3.39Å; K313-V383 PolarHBondContact O-N 3.49Å |
| 314 | I | 93.6 | Very high | 93 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.051 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.8 | 170.6 | -63.3 | 173.7 | 0 | 0 | 0 | 108.4 | G316 S317 T319 V321 F345 I381 L382 | I314-G316 PolarHBondContact O-N 3.43Å; I314-S317 PolarHBondContact O-N 3.18Å; I314-S317 VanDerWaalsContact O-O 3.06Å; I314-T319 PolarHBondContact N-O 3.19Å; I314-V321 HydrophobicContact CD1-CG1 3.75Å; I314-V321 HydrophobicContact CG1-CG1 4.25Å; I314-V321 HydrophobicContact CG1-CG2 4.29Å; I314-F345 HydrophobicContact CD1-CD1 4.11Å; I314-F345 HydrophobicContact CD1-CE1 3.7Å; I314-I381 WeakPolarHBondContact CA-O 3.27Å; I314-L382 HydrophobicContact CG1-CD2 3.99Å |
| 315 | R | 91.4 | Very high | 93.1 | Very high | 111 Ų | 111 | 60.3 Ų | 60.3 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 136.2 | 178.2 | -176.3 | 173.9 | -76.9 | -173.1 | -12.8 | 110.3 | S317 L359 D361 S364 I381 V383 | R315-S317 PolarHBondContact O-N 3.18Å; R315-L359 VanDerWaalsContact NH1-CD1 3.3Å; R315-D361 IonicContact CZ-OD2 3.01Å; R315-D361 VanDerWaalsContact CZ-OD2 3.27Å; R315-D361 IonicContact NH1-OD2 3.84Å; R315-D361 PolarHBondContact NH1-OD2 3.02Å; R315-D361 IonicContact NH2-OD1 3.1Å; R315-D361 IonicContact NH2-OD2 2.71Å; R315-D361 PolarHBondContact NH2-OD2 3.47Å; R315-S364 PolarHBondContact NH2-OG 2.96Å; R315-I381 HydrophobicContact CB-CB 3.82Å; R315-I381 HydrophobicContact CB-CG2 3.8Å; R315-I381 PolarHBondContact N-O 3.29Å; R315-V383 HydrophobicContact CB-CG2 3.86Å |
| 316 | G | 85.3 | Confident | 93.2 | Very high | 90 Ų | 90 | 56.5 Ų | 56.5 | 93% | 0.928 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 0.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I314 | I314-G316 PolarHBondContact O-N 3.43Š|
| 317 | S | 84.3 | Confident | 93.2 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -123.9 | 149.7 | 173.2 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | I314 R315 T319 | I314-S317 PolarHBondContact O-N 3.18Å; I314-S317 VanDerWaalsContact O-O 3.06Å; R315-S317 PolarHBondContact O-N 3.18Å; S317-T319 PolarHBondContact O-N 3.11Å; S317-T319 WeakPolarHBondContact OG-CB 3.33Å; S317-T319 PolarHBondContact OG-N 3.5Å; S317-T319 VanDerWaalsContact OG-N 3.16Å; S317-T319 PolarHBondContact OG-OG1 2.89Å |
| 318 | K | 81.4 | Confident | 93.1 | Very high | 220 Ų | 220 | 52.6 Ų | 52.6 | 96% | 0.957 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -78.8 | 7.7 | 167.8 | -66.3 | -174.9 | 179.8 | 179.5 | 0 | 112.5 | ||
| 319 | T | 87.3 | Confident | 93 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | trans | -85.1 | 121.7 | -174.4 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | I314 S317 V321 K334 F345 | I314-T319 PolarHBondContact N-O 3.19Å; S317-T319 PolarHBondContact O-N 3.11Å; S317-T319 WeakPolarHBondContact OG-CB 3.33Å; S317-T319 PolarHBondContact OG-N 3.5Å; S317-T319 VanDerWaalsContact OG-N 3.16Å; S317-T319 PolarHBondContact OG-OG1 2.89Å; T319-V321 HydrophobicContact CG2-CG1 3.82Å; T319-K334 HydrophobicContact CG2-CD 4.46Å; T319-F345 HydrophobicContact CG2-CE1 4.23Å; T319-F345 HydrophobicContact CG2-CZ 4.41Å | ||
| 320 | E | 91.5 | Very high | 93 | Very high | 115 Ų | 115 | 45.5 Ų | 45.5 | 54% | 0.537 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 139.9 | 160.2 | -73.1 | 177.8 | 176.7 | 0 | 0 | 109.5 | L312 K313 | L312-E320 WeakPolarHBondContact O-CA 3.31Å; K313-E320 HydrophobicContact CD-CG 4.46Å; K313-E320 WeakPolarHBondContact CE-OE1 3.42Å; K313-E320 HydrophobicContact CG-CG 3.81Å; K313-E320 IonicContact NZ-OE1 3.26Å; K313-E320 PolarHBondContact NZ-OE1 2.84Å |
| 321 | V | 94.6 | Very high | 93 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.5 | 178.4 | -63.1 | 0 | 0 | 0 | 0 | 110 | N311 L312 I314 T319 L332 T333 F345 L382 | N311-V321 CarbonylContact C-O 3.54Å; N311-V321 WeakPolarHBondContact CA-O 3.43Å; L312-V321 HydrophobicContact CB-CG2 4.22Å; L312-V321 PolarHBondContact N-O 3.34Å; L312-V321 PolarHBondContact O-N 3.22Å; I314-V321 HydrophobicContact CD1-CG1 3.75Å; I314-V321 HydrophobicContact CG1-CG1 4.25Å; I314-V321 HydrophobicContact CG1-CG2 4.29Å; T319-V321 HydrophobicContact CG2-CG1 3.82Å; V321-L332 HydrophobicContact CG2-CD2 4.4Å; V321-T333 CarbonylContact C-O 3.54Å; V321-T333 VanDerWaalsContact CA-O 3.22Å; V321-T333 WeakPolarHBondContact CA-O 3.5Å; V321-T333 WeakPolarHBondContact CB-O 3.24Å; V321-F345 HydrophobicContact CG1-CD1 3.94Å; V321-L382 HydrophobicContact CG2-CD2 4.47Å |
| 322 | V | 95.5 | Very high | 93 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 110.8 | 164.1 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | E309 N311 L324 T333 V335 L342 | E309-V322 HydrophobicContact CG-CG1 4.1Å; N311-V322 WeakPolarHBondContact OD1-CG2 3.36Å; V322-L324 HydrophobicContact CG1-CD2 3.97Å; V322-T333 WeakPolarHBondContact CB-OG1 3.41Å; V322-T333 PolarHBondContact N-O 3.46Å; V322-T333 PolarHBondContact O-N 3.41Å; V322-T333 PolarHBondContact O-OG1 3.47Å; V322-V335 HydrophobicContact CG2-CG2 3.85Å; V322-L342 HydrophobicContact CB-CD1 4.45Å; V322-L342 HydrophobicContact CB-CD2 4.04Å; V322-L342 HydrophobicContact CG1-CD1 4.02Å; V322-L342 HydrophobicContact CG1-CD2 4.35Å; V322-L342 HydrophobicContact CG2-CD2 3.91Å |
| 323 | A | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | E309 D310 L312 L331 L332 W393 | E309-A323 WeakPolarHBondContact CA-O 3.41Å; D310-A323 PolarHBondContact N-O 3.38Å; D310-A323 VanDerWaalsContact N-O 3.16Å; D310-A323 PolarHBondContact O-N 3.22Å; L312-A323 HydrophobicContact CD1-CB 3.62Å; L312-A323 HydrophobicContact CG-CB 4.12Å; A323-L331 WeakPolarHBondContact CA-O 3.25Å; A323-L332 HydrophobicContact CB-CD2 3.88Å; A323-W393 HydrophobicContact CB-CH2 3.6Å; A323-W393 HydrophobicContact CB-CZ2 3.99Å; A323-W393 HydrophobicContact CB-CZ3 4.26Å |
| 324 | L | 97.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 106.5 | 179.5 | -52.9 | 173.7 | 0 | 0 | 0 | 108.8 | I267 L306 E309 V322 F326 L331 T333 L342 | I267-L324 HydrophobicContact CD1-CD1 3.58Å; I267-L324 HydrophobicContact CG1-CD1 4.05Å; L306-L324 HydrophobicContact CD1-CB 3.88Å; L306-L324 HydrophobicContact CD1-CD2 4.26Å; E309-L324 HydrophobicContact CB-CD2 3.89Å; E309-L324 HydrophobicContact CG-CD2 3.53Å; V322-L324 HydrophobicContact CG1-CD2 3.97Å; L324-F326 HydrophobicContact CB-CD2 4.32Å; L324-F326 HydrophobicContact CB-CE2 3.71Å; L324-F326 HydrophobicContact CD1-CE2 4.34Å; L324-L331 HydrophobicContact CB-CB 4.23Å; L324-L331 PolarHBondContact N-O 3.26Å; L324-L331 PolarHBondContact O-N 3.15Å; L324-T333 HydrophobicContact CD1-CG2 4.06Å; L324-L342 HydrophobicContact CD1-CD1 3.88Å; L324-L342 HydrophobicContact CD2-CD1 4.3Å; L324-L342 HydrophobicContact CG-CD1 4.46Å |
| 325 | L | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 111 | 174.6 | -179.4 | 62.7 | 0 | 0 | 0 | 109.4 | L307 L308 L330 L351 W393 A396 I397 | L307-L325 HydrophobicContact CB-CD2 4.41Å; L307-L325 HydrophobicContact CB-CG 4.36Å; L307-L325 PolarHBondContact N-O 2.87Å; L308-L325 HydrophobicContact CB-CB 4.01Å; L308-L325 HydrophobicContact CB-CD2 4.27Å; L308-L325 PolarHBondContact N-O 2.95Å; L308-L325 PolarHBondContact O-N 2.65Å; L325-L330 HydrophobicContact CB-CD1 4.27Å; L325-L330 HydrophobicContact CD1-CB 4.42Å; L325-L330 HydrophobicContact CD1-CD1 4.33Å; L325-L351 HydrophobicContact CD1-CD1 3.89Å; L325-L351 HydrophobicContact CD1-CD2 3.93Å; L325-W393 HydrophobicContact CB-CH2 4.15Å; L325-W393 HydrophobicContact CB-CZ3 3.74Å; L325-W393 HydrophobicContact CD2-CZ3 4.48Å; L325-A396 HydrophobicContact CD2-CB 3.58Å; L325-I397 HydrophobicContact CD1-CG1 3.88Å; L325-I397 HydrophobicContact CD2-CG1 3.94Å |
| 326 | F | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 170.8 | 165.9 | -64.9 | -95.5 | 0 | 0 | 0 | 110.9 | L260 I267 L291 R304 K305 L306 L324 D328 V329 L331 L351 | L260-F326 HydrophobicContact CD1-CD1 4.35Å; L260-F326 HydrophobicContact CD1-CE1 4.06Å; I267-F326 HydrophobicContact CD1-CZ 4.23Å; L291-F326 HydrophobicContact CD1-CD1 4.28Å; L291-F326 HydrophobicContact CD1-CD2 4.09Å; L291-F326 HydrophobicContact CD1-CE1 4.22Å; L291-F326 HydrophobicContact CD1-CE2 4.03Å; L291-F326 HydrophobicContact CD1-CG 4.22Å; L291-F326 HydrophobicContact CD1-CZ 4.11Å; L291-F326 HydrophobicContact CD2-CE1 3.89Å; L291-F326 HydrophobicContact CD2-CE2 4.1Å; L291-F326 HydrophobicContact CD2-CZ 3.54Å; L291-F326 HydrophobicContact CG-CE1 4.38Å; L291-F326 HydrophobicContact CG-CZ 4.34Å; R304-F326 HydrophobicContact CG-CB 3.72Å; R304-F326 HydrophobicContact CG-CD1 3.76Å; R304-F326 HydrophobicContact CG-CG 4.04Å; K305-F326 CarbonylContact O-C 3.38Å; K305-F326 WeakPolarHBondContact O-CA 3.35Å; L306-F326 HydrophobicContact CB-CD1 4.04Å; L306-F326 HydrophobicContact CB-CE1 3.75Å; L306-F326 HydrophobicContact CB-CZ 4.28Å; L306-F326 HydrophobicContact CD1-CD1 4.43Å; L306-F326 HydrophobicContact CD1-CD2 4.3Å; L306-F326 HydrophobicContact CD1-CE1 4.12Å; L306-F326 HydrophobicContact CD1-CE2 3.96Å; L306-F326 HydrophobicContact CD1-CZ 3.86Å; L306-F326 HydrophobicContact CG-CE1 4.48Å; L324-F326 HydrophobicContact CB-CD2 4.32Å; L324-F326 HydrophobicContact CB-CE2 3.71Å; L324-F326 HydrophobicContact CD1-CE2 4.34Å; F326-D328 PolarHBondContact O-N 2.89Å; F326-D328 VanDerWaalsContact O-N 3.11Å; F326-V329 WeakPolarHBondContact CA-O 3.35Å; F326-V329 HydrophobicContact CB-CG1 3.69Å; F326-V329 WeakPolarHBondContact CB-O 3.33Å; F326-V329 HydrophobicContact CD2-CG1 4.08Å; F326-V329 HydrophobicContact CG-CG1 4.13Å; F326-V329 PolarHBondContact N-O 3.48Å; F326-L331 HydrophobicContact CD2-CD1 4.32Å; F326-L331 HydrophobicContact CD2-CG 4.29Å; F326-L331 HydrophobicContact CE2-CD1 3.78Å; F326-L331 HydrophobicContact CE2-CG 4.16Å; F326-L351 WeakPolarHBondContact O-CD1 3.34Å |
| 327 | S | 95 | Very high | 91.6 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 22% | 0.217 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -56.5 | -23.3 | -179.9 | 49.2 | 0 | 0 | 0 | 0 | 115.4 | R304 K305 | R304-S327 WeakPolarHBondContact CA-OG 3.33Å; K305-S327 PolarHBondContact N-OG 3.42Å; K305-S327 VanDerWaalsContact N-OG 3.14Å; K305-S327 PolarHBondContact O-N 3.39Å |
| 328 | D | 94.4 | Very high | 90.6 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -136.6 | -8.9 | -176.6 | 64.9 | -48 | 0 | 0 | 0 | 113.5 | I295 R304 F326 L351 | I295-D328 HydrophobicContact CD1-CB 4.21Å; I295-D328 HydrophobicContact CG1-CB 4.43Å; I295-D328 HydrophobicContact CG2-CB 3.81Å; R304-D328 VanDerWaalsContact CD-OD1 3.3Å; R304-D328 WeakPolarHBondContact CD-OD1 3.46Å; R304-D328 VanDerWaalsContact CG-OD1 3.26Å; R304-D328 WeakPolarHBondContact CG-OD1 3.43Å; R304-D328 IonicContact CZ-OD1 2.82Å; R304-D328 IonicContact CZ-OD2 2.92Å; R304-D328 VanDerWaalsContact CZ-OD2 3.31Å; R304-D328 VanDerWaalsContact NE-CG 3.3Å; R304-D328 IonicContact NE-OD1 2.65Å; R304-D328 PolarHBondContact NE-OD1 2.98Å; R304-D328 IonicContact NE-OD2 3.9Å; R304-D328 PolarHBondContact NE-OD2 3.4Å; R304-D328 VanDerWaalsContact NE-OD2 3.12Å; R304-D328 IonicContact NH2-OD1 3.33Å; R304-D328 IonicContact NH2-OD2 3.62Å; R304-D328 PolarHBondContact NH2-OD2 3.23Å; F326-D328 PolarHBondContact O-N 2.89Å; F326-D328 VanDerWaalsContact O-N 3.11Å; D328-L351 VanDerWaalsContact C-CG 3.5Å; D328-L351 WeakPolarHBondContact O-CG 3.38Å; D328-L351 PolarHBondContact O-N 3.06Å |
| 329 | V | 95.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.9 | -175.1 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | F289 L291 F326 L331 P348 L349 | F289-V329 HydrophobicContact CE2-CG2 4.36Å; F289-V329 HydrophobicContact CZ-CB 4.35Å; F289-V329 HydrophobicContact CZ-CG1 3.98Å; F289-V329 HydrophobicContact CZ-CG2 4.01Å; L291-V329 HydrophobicContact CD1-CG1 4.11Å; F326-V329 WeakPolarHBondContact CA-O 3.35Å; F326-V329 HydrophobicContact CB-CG1 3.69Å; F326-V329 WeakPolarHBondContact CB-O 3.33Å; F326-V329 HydrophobicContact CD2-CG1 4.08Å; F326-V329 HydrophobicContact CG-CG1 4.13Å; F326-V329 PolarHBondContact N-O 3.48Å; V329-L331 HydrophobicContact CG2-CD2 3.92Å; V329-P348 HydrophobicContact CG2-CB 3.71Å; V329-L349 CarbonylContact C-O 3.59Å; V329-L349 WeakPolarHBondContact CA-O 3.44Å |
| 330 | L | 96.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.6 | 169.3 | 175.2 | 64.9 | 0 | 0 | 0 | 109.5 | L325 L332 L349 L351 M354 L367 W393 | L325-L330 HydrophobicContact CB-CD1 4.27Å; L325-L330 HydrophobicContact CD1-CB 4.42Å; L325-L330 HydrophobicContact CD1-CD1 4.33Å; L330-L332 HydrophobicContact CG-CD2 4.44Å; L330-L349 HydrophobicContact CB-CB 4.24Å; L330-L349 HydrophobicContact CD2-CD1 4.27Å; L330-L349 PolarHBondContact N-O 3.37Å; L330-L349 PolarHBondContact O-N 3.07Å; L330-L351 HydrophobicContact CB-CD2 4.03Å; L330-M354 HydrophobicContact CD2-CE 4.26Å; L330-M354 HydrophobicContact CD2-SD 4.1Å; L330-L367 HydrophobicContact CD2-CD1 3.49Å; L330-L367 VanDerWaalsContact CD2-CD1 3.49Å; L330-W393 HydrophobicContact CD1-CH2 4.48Å; L330-W393 HydrophobicContact CD1-CZ3 3.9Å |
| 331 | L | 95.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.1 | 173.2 | -52.7 | -177 | 0 | 0 | 0 | 110.1 | I267 F289 L291 A323 L324 F326 V329 T333 P348 | I267-L331 HydrophobicContact CD1-CD1 4.07Å; I267-L331 HydrophobicContact CG2-CD1 4.29Å; F289-L331 HydrophobicContact CE1-CD2 4.16Å; L291-L331 HydrophobicContact CD1-CD1 4.18Å; L291-L331 HydrophobicContact CD2-CD1 4.48Å; A323-L331 WeakPolarHBondContact CA-O 3.25Å; L324-L331 HydrophobicContact CB-CB 4.23Å; L324-L331 PolarHBondContact N-O 3.26Å; L324-L331 PolarHBondContact O-N 3.15Å; F326-L331 HydrophobicContact CD2-CD1 4.32Å; F326-L331 HydrophobicContact CD2-CG 4.29Å; F326-L331 HydrophobicContact CE2-CD1 3.78Å; F326-L331 HydrophobicContact CE2-CG 4.16Å; V329-L331 HydrophobicContact CG2-CD2 3.92Å; L331-T333 HydrophobicContact CB-CG2 4.08Å; L331-P348 HydrophobicContact CD2-CB 3.54Å; L331-P348 HydrophobicContact CD2-CG 3.75Å |
| 332 | L | 94.9 | Very high | 88.9 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.6 | 168.5 | -58.1 | -179.4 | 0 | 0 | 0 | 107.8 | V321 A323 L330 F345 T380 L382 | V321-L332 HydrophobicContact CG2-CD2 4.4Å; A323-L332 HydrophobicContact CB-CD2 3.88Å; L330-L332 HydrophobicContact CG-CD2 4.44Å; L332-F345 WeakPolarHBondContact O-CB 3.48Å; L332-F345 PolarHBondContact O-N 3.17Å; L332-T380 HydrophobicContact CD1-CG2 4.09Å; L332-L382 HydrophobicContact CD1-CD2 4.32Å; L332-L382 HydrophobicContact CD2-CD1 4.06Å; L332-L382 HydrophobicContact CD2-CD2 4.22Å |
| 333 | T | 94.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 162.1 | -171.2 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | V321 V322 L324 L331 L342 K343 V344 | V321-T333 CarbonylContact C-O 3.54Å; V321-T333 VanDerWaalsContact CA-O 3.22Å; V321-T333 WeakPolarHBondContact CA-O 3.5Å; V321-T333 WeakPolarHBondContact CB-O 3.24Å; V322-T333 WeakPolarHBondContact CB-OG1 3.41Å; V322-T333 PolarHBondContact N-O 3.46Å; V322-T333 PolarHBondContact O-N 3.41Å; V322-T333 PolarHBondContact O-OG1 3.47Å; L324-T333 HydrophobicContact CD1-CG2 4.06Å; L331-T333 HydrophobicContact CB-CG2 4.08Å; T333-L342 HydrophobicContact CG2-CB 4.25Å; T333-K343 CarbonylContact C-O 3.55Å; T333-K343 WeakPolarHBondContact CA-O 3.45Å; T333-K343 WeakPolarHBondContact CB-O 3.4Å; T333-V344 HydrophobicContact CG2-CG2 4.26Å |
| 334 | K | 92.1 | Very high | 88.4 | Confident | 71 Ų | 71 | 55.4 Ų | 55.4 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.1 | 173.4 | -78.4 | 176 | 171.6 | -179.8 | 0 | 110.1 | T319 Q336 L342 K343 F345 | T319-K334 HydrophobicContact CG2-CD 4.46Å; K334-Q336 PolarHBondContact O-N 3.35Å; K334-L342 WeakPolarHBondContact O-CA 3.31Å; K334-K343 PolarHBondContact N-O 3.44Å; K334-K343 PolarHBondContact O-N 2.85Å; K334-F345 HydrophobicContact CD-CB 4.19Å; K334-F345 HydrophobicContact CD-CD2 3.54Å; K334-F345 HydrophobicContact CD-CE2 4.14Å; K334-F345 HydrophobicContact CD-CG 3.88Å; K334-F345 HydrophobicContact CG-CB 4Å; K334-F345 HydrophobicContact CG-CD2 4.25Å; K334-F345 HydrophobicContact CG-CG 4.09Å |
| 335 | V | 89 | Confident | 88 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 55% | 0.552 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 127 | 174.1 | -176.1 | 0 | 0 | 0 | 0 | 110 | V322 L342 | V322-V335 HydrophobicContact CG2-CG2 3.85Å; V335-L342 HydrophobicContact CG2-CD2 3.96Å |
| 336 | Q | 83.1 | Confident | 87.5 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 27% | 0.271 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.2 | 169.7 | -70.5 | -153.6 | 31.9 | 0 | 0 | 110.9 | E268 K334 K338 A339 E340 R341 K343 | E268-Q336 PolarHBondContact OE2-NE2 2.87Å; K334-Q336 PolarHBondContact O-N 3.35Å; Q336-K338 PolarHBondContact O-N 3.27Å; Q336-A339 PolarHBondContact O-N 3.04Å; Q336-E340 PolarHBondContact O-N 3.36Å; Q336-R341 PolarHBondContact N-O 3.17Å; Q336-K343 HydrophobicContact CG-CB 4.02Å |
| 337 | K | 72 | Confident | 87.2 | Confident | 214 Ų | 214 | 63.6 Ų | 63.6 | 93% | 0.93 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.8 | -175.9 | -66.6 | -174.7 | 177.6 | -177.4 | 0 | 115.1 | ||
| 338 | K | 63.5 | Low | 87 | Confident | 208 Ų | 208 | 63.8 Ų | 63.8 | 90% | 0.904 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -13.2 | -172.6 | -77.7 | -172.6 | 176.2 | -178.8 | 0 | 115.1 | Q336 | Q336-K338 PolarHBondContact O-N 3.27Š|
| 339 | A | 65.1 | Low | 86.9 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 45% | 0.446 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.5 | 6.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q336 R341 | Q336-A339 PolarHBondContact O-N 3.04Å; A339-R341 HydrophobicContact CB-CB 4.24Å; A339-R341 HydrophobicContact CB-CG 3.85Å; A339-R341 PolarHBondContact O-N 2.86Å |
| 340 | E | 75.6 | Confident | 86.8 | Confident | 183 Ų | 183 | 64.1 Ų | 64.1 | 86% | 0.855 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 23 | -168.8 | -63.2 | -172.3 | 162 | 0 | 0 | 113.6 | Q336 | Q336-E340 PolarHBondContact O-N 3.36Š|
| 341 | R | 86.8 | Confident | 86.7 | Confident | 114 Ų | 114 | 64.1 Ų | 64.1 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 155 | 177.7 | -71.3 | -178.9 | -179.7 | -179.2 | -3 | 111 | K266 E268 Q336 A339 | K266-R341 WeakPolarHBondContact O-CA 3.43Å; E268-R341 WeakPolarHBondContact OE1-CD 3.14Å; E268-R341 IonicContact OE1-CZ 2.6Å; E268-R341 IonicContact OE1-NE 3.97Å; E268-R341 IonicContact OE1-NH1 3.27Å; E268-R341 PolarHBondContact OE1-NH1 3.14Å; Q336-R341 PolarHBondContact N-O 3.17Å; A339-R341 HydrophobicContact CB-CB 4.24Å; A339-R341 HydrophobicContact CB-CG 3.85Å; A339-R341 PolarHBondContact O-N 2.86Å |
| 342 | L | 91.3 | Very high | 86.4 | Confident | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.1 | 177.2 | -64.9 | -179.8 | 0 | 0 | 0 | 109.1 | K266 I267 E268 V322 L324 T333 K334 V335 | K266-L342 PolarHBondContact O-N 3.34Å; I267-L342 CarbonylContact C-O 3.6Å; I267-L342 WeakPolarHBondContact CA-O 3.42Å; I267-L342 HydrophobicContact CG1-CB 4.43Å; E268-L342 PolarHBondContact N-O 3.11Å; V322-L342 HydrophobicContact CB-CD1 4.45Å; V322-L342 HydrophobicContact CB-CD2 4.04Å; V322-L342 HydrophobicContact CG1-CD1 4.02Å; V322-L342 HydrophobicContact CG1-CD2 4.35Å; V322-L342 HydrophobicContact CG2-CD2 3.91Å; L324-L342 HydrophobicContact CD1-CD1 3.88Å; L324-L342 HydrophobicContact CD2-CD1 4.3Å; L324-L342 HydrophobicContact CG-CD1 4.46Å; T333-L342 HydrophobicContact CG2-CB 4.25Å; K334-L342 WeakPolarHBondContact O-CA 3.31Å; V335-L342 HydrophobicContact CG2-CD2 3.96Å |
| 343 | K | 90.4 | Very high | 86.2 | Confident | 61 Ų | 61 | 75 Ų | 75 | 27% | 0.265 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.7 | 171 | -162.8 | 174.7 | -177.2 | 168.5 | 0 | 109.4 | E271 T333 K334 Q336 F345 | E271-K343 VanDerWaalsContact CD-NZ 3.32Å; E271-K343 IonicContact OE1-NZ 3.14Å; E271-K343 WeakPolarHBondContact OE2-CE 3.18Å; E271-K343 IonicContact OE2-NZ 2.79Å; E271-K343 PolarHBondContact OE2-NZ 3.33Å; T333-K343 CarbonylContact C-O 3.55Å; T333-K343 WeakPolarHBondContact CA-O 3.45Å; T333-K343 WeakPolarHBondContact CB-O 3.4Å; K334-K343 PolarHBondContact N-O 3.44Å; K334-K343 PolarHBondContact O-N 2.85Å; Q336-K343 HydrophobicContact CG-CB 4.02Å; K343-F345 PolarHBondContact O-N 3.16Å; K343-F345 VanDerWaalsContact O-N 3.14Å |
| 344 | V | 91.1 | Very high | 86.2 | Confident | 9 Ų | 9 | 75 Ų | 75 | 6% | 0.055 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 120.9 | 171 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | I267 E268 Y270 T333 R346 | I267-V344 HydrophobicContact CG2-CG2 3.66Å; E268-V344 VanDerWaalsContact O-CG2 3.31Å; E268-V344 WeakPolarHBondContact O-CG2 3.47Å; E268-V344 PolarHBondContact O-N 2.99Å; Y270-V344 HydrophobicContact CD2-CG1 4.19Å; Y270-V344 HydrophobicContact CG-CG1 4.36Å; T333-V344 HydrophobicContact CG2-CG2 4.26Å; V344-R346 WeakPolarHBondContact CG1-O 3.24Å |
| 345 | F | 87.6 | Confident | 86.3 | Confident | 49 Ų | 49 | 75.8 Ų | 75.8 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | trans | -93.3 | -28.4 | -174.1 | 173 | -117.9 | 0 | 0 | 0 | 112.7 | Y270 I314 T319 V321 L332 K334 K343 | Y270-F345 WeakPolarHBondContact CE2-O 3.48Å; I314-F345 HydrophobicContact CD1-CD1 4.11Å; I314-F345 HydrophobicContact CD1-CE1 3.7Å; T319-F345 HydrophobicContact CG2-CE1 4.23Å; T319-F345 HydrophobicContact CG2-CZ 4.41Å; V321-F345 HydrophobicContact CG1-CD1 3.94Å; L332-F345 WeakPolarHBondContact O-CB 3.48Å; L332-F345 PolarHBondContact O-N 3.17Å; K334-F345 HydrophobicContact CD-CB 4.19Å; K334-F345 HydrophobicContact CD-CD2 3.54Å; K334-F345 HydrophobicContact CD-CE2 4.14Å; K334-F345 HydrophobicContact CD-CG 3.88Å; K334-F345 HydrophobicContact CG-CB 4Å; K334-F345 HydrophobicContact CG-CD2 4.25Å; K334-F345 HydrophobicContact CG-CG 4.09Å; K343-F345 PolarHBondContact O-N 3.16Å; K343-F345 VanDerWaalsContact O-N 3.14Å | ||
| 346 | R | 87.9 | Confident | 86.6 | Confident | 69 Ų | 69 | 72 Ų | 72 | 26% | 0.26 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -134.6 | 155.2 | 174.6 | -71.4 | -162 | 175 | -168.9 | -6.3 | 110 | V344 T380 | V344-R346 WeakPolarHBondContact CG1-O 3.24Å; R346-T380 PolarHBondContact NH1-OG1 2.95Å |
| 347 | P | 88.8 | Confident | 87.2 | Confident | 59 Ų | 59 | 73 Ų | 73 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | trans | -47 | 136.3 | 174.3 | -28.5 | 35.5 | 0 | 0 | 0 | 111.8 | Y270 L349 | Y270-P347 HydrophobicContact CD1-CG 4.11Å; Y270-P347 HydrophobicContact CE1-CG 3.72Å; P347-L349 PolarHBondContact O-N 3.29Å | ||
| 348 | P | 91.8 | Very high | 88.3 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 22% | 0.221 | 34% | 0.335 | C | S | . | . | trans | -52.2 | 130.1 | 176.3 | -28.7 | 36.2 | 0 | 0 | 0 | 112.1 | F289 V329 L331 | F289-P348 HydrophobicContact CB-CG 4.17Å; F289-P348 HydrophobicContact CD1-CB 4.06Å; F289-P348 HydrophobicContact CD1-CG 3.55Å; F289-P348 HydrophobicContact CD2-CB 4.39Å; F289-P348 HydrophobicContact CD2-CG 4.49Å; F289-P348 HydrophobicContact CE1-CB 4.2Å; F289-P348 HydrophobicContact CE1-CG 4.09Å; F289-P348 HydrophobicContact CG-CB 4.17Å; F289-P348 HydrophobicContact CG-CG 3.8Å; F289-P348 HydrophobicContact CZ-CB 4.45Å; V329-P348 HydrophobicContact CG2-CB 3.71Å; L331-P348 HydrophobicContact CD2-CB 3.54Å; L331-P348 HydrophobicContact CD2-CG 3.75Å | ||
| 349 | L | 92.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.9 | -177.8 | -65.2 | 169.6 | 0 | 0 | 0 | 109.8 | V329 L330 P347 L351 M354 L367 E369 | V329-L349 CarbonylContact C-O 3.59Å; V329-L349 WeakPolarHBondContact CA-O 3.44Å; L330-L349 HydrophobicContact CB-CB 4.24Å; L330-L349 HydrophobicContact CD2-CD1 4.27Å; L330-L349 PolarHBondContact N-O 3.37Å; L330-L349 PolarHBondContact O-N 3.07Å; P347-L349 PolarHBondContact O-N 3.29Å; L349-L351 PolarHBondContact O-N 3.39Å; L349-M354 HydrophobicContact CB-SD 4.07Å; L349-M354 HydrophobicContact CD1-SD 3.95Å; L349-L367 HydrophobicContact CD1-CD1 4.18Å; L349-E369 HydrophobicContact CD2-CB 4.24Å; L349-E369 HydrophobicContact CD2-CG 4.24Å; L349-E369 WeakPolarHBondContact CD2-OE2 3.38Å |
| 350 | A | 92.4 | Very high | 91.1 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D352 R353 M354 | A350-D352 VanDerWaalsContact C-N 3.32Å; A350-D352 WeakPolarHBondContact CB-OD1 3.44Å; A350-D352 PolarHBondContact O-N 2.95Å; A350-R353 PolarHBondContact O-N 3.34Å; A350-R353 VanDerWaalsContact O-N 3.16Å; A350-M354 WeakPolarHBondContact O-CB 3.45Å; A350-M354 PolarHBondContact O-N 3.19Å |
| 351 | L | 93.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -67.6 | -34 | -172.8 | -65.2 | -175.4 | 0 | 0 | 0 | 112.2 | L325 F326 D328 L330 L349 R353 M354 I397 A400 K401 | L325-L351 HydrophobicContact CD1-CD1 3.89Å; L325-L351 HydrophobicContact CD1-CD2 3.93Å; F326-L351 WeakPolarHBondContact O-CD1 3.34Å; D328-L351 VanDerWaalsContact C-CG 3.5Å; D328-L351 WeakPolarHBondContact O-CG 3.38Å; D328-L351 PolarHBondContact O-N 3.06Å; L330-L351 HydrophobicContact CB-CD2 4.03Å; L349-L351 PolarHBondContact O-N 3.39Å; L351-R353 PolarHBondContact O-N 3.45Å; L351-M354 HydrophobicContact CD2-CE 3.62Å; L351-M354 PolarHBondContact O-N 3.01Å; L351-I397 HydrophobicContact CD2-CG2 4.42Å; L351-A400 HydrophobicContact CD1-CB 3.62Å; L351-K401 HydrophobicContact CB-CG 4.04Å; L351-K401 WeakPolarHBondContact O-CE 3.31Å; L351-K401 PolarHBondContact O-NZ 2.87Å |
| 352 | D | 90.7 | Very high | 92.2 | Very high | 125 Ų | 125 | 57 Ų | 57 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -60.7 | -27.3 | 175.4 | 66.8 | -28.5 | 0 | 0 | 0 | 112.6 | A350 | A350-D352 VanDerWaalsContact C-N 3.32Å; A350-D352 WeakPolarHBondContact CB-OD1 3.44Å; A350-D352 PolarHBondContact O-N 2.95Å |
| 353 | R | 90.8 | Very high | 92.3 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -103.3 | 5.5 | -179.3 | -65.9 | -175.3 | -177.8 | -150.6 | -5.3 | 114.9 | A350 L351 V370 E372 | A350-R353 PolarHBondContact O-N 3.34Å; A350-R353 VanDerWaalsContact O-N 3.16Å; L351-R353 PolarHBondContact O-N 3.45Å; R353-V370 PolarHBondContact O-N 3.01Å; R353-E372 IonicContact CZ-OE1 3.19Å; R353-E372 VanDerWaalsContact CZ-OE1 3.31Å; R353-E372 IonicContact NH1-OE1 2.7Å; R353-E372 PolarHBondContact NH1-OE1 3.36Å; R353-E372 IonicContact NH2-OE1 3.41Å; R353-E372 PolarHBondContact NH2-OE1 2.95Å |
| 354 | M | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119.7 | -173.7 | -179.4 | -163.9 | 71.8 | 0 | 0 | 112.8 | L330 L349 A350 L351 L367 V368 I397 K401 | L330-M354 HydrophobicContact CD2-CE 4.26Å; L330-M354 HydrophobicContact CD2-SD 4.1Å; L349-M354 HydrophobicContact CB-SD 4.07Å; L349-M354 HydrophobicContact CD1-SD 3.95Å; A350-M354 WeakPolarHBondContact O-CB 3.45Å; A350-M354 PolarHBondContact O-N 3.19Å; L351-M354 HydrophobicContact CD2-CE 3.62Å; L351-M354 PolarHBondContact O-N 3.01Å; M354-L367 HydrophobicContact CE-CD2 3.87Å; M354-L367 HydrophobicContact CG-CB 4.25Å; M354-L367 HydrophobicContact SD-CB 3.92Å; M354-L367 HydrophobicContact SD-CD1 3.98Å; M354-L367 HydrophobicContact SD-CD2 3.78Å; M354-L367 HydrophobicContact SD-CG 4.1Å; M354-V368 CarbonylContact C-O 3.49Å; M354-V368 WeakPolarHBondContact CA-O 3.33Å; M354-I397 HydrophobicContact CE-CD1 4.41Å; M354-I397 HydrophobicContact CE-CG2 3.8Å; M354-K401 WeakPolarHBondContact O-CE 3.5Å; M354-K401 PolarHBondContact O-NZ 2.52Å |
| 355 | N | 93.4 | Very high | 92.8 | Very high | 86 Ų | 86 | 55.3 Ų | 55.3 | 46% | 0.46 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.2 | 171.6 | -69.3 | -45.6 | 0 | 0 | 0 | 111.7 | L367 V368 | N355-L367 CarbonylContact O-C 3.51Å; N355-L367 WeakPolarHBondContact O-CA 3.3Å; N355-V368 HydrophobicContact CB-CB 4.43Å; N355-V368 PolarHBondContact N-O 3.2Å; N355-V368 PolarHBondContact O-N 2.93Å |
| 356 | C | 95.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 9% | 0.088 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120.6 | 178.6 | 177 | 0 | 0 | 0 | 0 | 110.8 | V366 L367 I397 | C356-V366 WeakPolarHBondContact CA-O 3.16Å; C356-L367 HydrophobicContact CB-CD2 3.96Å; C356-I397 HydrophobicContact CB-CB 4.45Å; C356-I397 HydrophobicContact CB-CD1 4.36Å; C356-I397 HydrophobicContact CB-CG2 3.74Å |
| 357 | V | 95.2 | Very high | 93.6 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.8 | -176.8 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | L365 V366 | V357-L365 WeakPolarHBondContact O-CA 3.33Å; V357-V366 PolarHBondContact N-O 2.77Å; V357-V366 PolarHBondContact O-N 2.82Å |
| 358 | P | 96.1 | Very high | 93.9 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 42% | 0.422 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 143.8 | 172.5 | 27.1 | -31.4 | 0 | 0 | 0 | 111.2 | V394 | P358-V394 HydrophobicContact CB-CG2 4.12Å; P358-V394 HydrophobicContact CG-CG1 4.44Å; P358-V394 HydrophobicContact CG-CG2 4.49Å |
| 359 | L | 95.4 | Very high | 94.1 | Very high | 50 Ų | 50 | 50.6 Ų | 50.6 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | trans | -89.3 | 159.4 | 174.4 | -63.2 | -174.1 | 0 | 0 | 0 | 111.8 | R315 D361 G362 S364 V366 I381 | R315-L359 VanDerWaalsContact NH1-CD1 3.3Å; L359-D361 PolarHBondContact O-N 3.19Å; L359-D361 VanDerWaalsContact O-N 3.13Å; L359-G362 PolarHBondContact O-N 3.32Å; L359-G362 VanDerWaalsContact O-N 3.09Å; L359-S364 PolarHBondContact N-O 2.76Å; L359-V366 HydrophobicContact CD1-CG2 4.25Å; L359-V366 HydrophobicContact CD2-CB 4.27Å; L359-V366 HydrophobicContact CD2-CG2 3.91Å; L359-V366 HydrophobicContact CG-CG2 4.31Å; L359-I381 HydrophobicContact CD1-CG2 3.89Å | ||
| 360 | K | 92.9 | Very high | 94.1 | Very high | 222 Ų | 222 | 51.4 Ų | 51.4 | 97% | 0.965 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.5 | -178 | -64.6 | -176.2 | 179.5 | -179.4 | 0 | 114.1 | G362 | K360-G362 PolarHBondContact O-N 3.2Š|
| 361 | D | 92.3 | Very high | 94 | Very high | 70 Ų | 70 | 50.3 Ų | 50.3 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -7.5 | 176 | 58.4 | 51.8 | 0 | 0 | 0 | 113.9 | R315 L359 N363 S364 | R315-D361 IonicContact CZ-OD2 3.01Å; R315-D361 VanDerWaalsContact CZ-OD2 3.27Å; R315-D361 IonicContact NH1-OD2 3.84Å; R315-D361 PolarHBondContact NH1-OD2 3.02Å; R315-D361 IonicContact NH2-OD1 3.1Å; R315-D361 IonicContact NH2-OD2 2.71Å; R315-D361 PolarHBondContact NH2-OD2 3.47Å; L359-D361 PolarHBondContact O-N 3.19Å; L359-D361 VanDerWaalsContact O-N 3.13Å; D361-N363 PolarHBondContact O-N 2.91Å; D361-N363 PolarHBondContact OD1-N 2.89Å; D361-S364 VanDerWaalsContact OD1-CB 3.24Å; D361-S364 WeakPolarHBondContact OD1-CB 3.37Å; D361-S364 PolarHBondContact OD1-N 3.07Å; D361-S364 PolarHBondContact OD1-OG 3.04Å; D361-S364 PolarHBondContact OD2-OG 2.84Å |
| 362 | G | 91.4 | Very high | 93.7 | Very high | 31 Ų | 31 | 57 Ų | 57 | 32% | 0.32 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 76.3 | -18.4 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | L359 K360 P387 C390 | L359-G362 PolarHBondContact O-N 3.32Å; L359-G362 VanDerWaalsContact O-N 3.09Å; K360-G362 PolarHBondContact O-N 3.2Å; G362-P387 WeakPolarHBondContact O-CA 3.47Å; G362-C390 WeakPolarHBondContact O-CB 3.44Å |
| 363 | N | 94.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -111.4 | 4.5 | -173.5 | -68.5 | -25.2 | 0 | 0 | 0 | 113.5 | D361 V383 T384 P387 | D361-N363 PolarHBondContact O-N 2.91Å; D361-N363 PolarHBondContact OD1-N 2.89Å; N363-V383 CarbonylContact O-C 3.4Å; N363-V383 WeakPolarHBondContact O-CA 3.33Å; N363-T384 PolarHBondContact O-N 3.46Å; N363-T384 PolarHBondContact O-OG1 3.25Å; N363-T384 VanDerWaalsContact O-OG1 3.05Å; N363-P387 VanDerWaalsContact OD1-CA 3.28Å; N363-P387 WeakPolarHBondContact OD1-CA 3.06Å; N363-P387 WeakPolarHBondContact OD1-CD 3.24Å; N363-P387 WeakPolarHBondContact OD1-CG 3.4Å |
| 364 | S | 95.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.5 | -174.1 | -39.9 | 0 | 0 | 0 | 0 | 111.6 | R315 L359 D361 L382 | R315-S364 PolarHBondContact NH2-OG 2.96Å; L359-S364 PolarHBondContact N-O 2.76Å; D361-S364 VanDerWaalsContact OD1-CB 3.24Å; D361-S364 WeakPolarHBondContact OD1-CB 3.37Å; D361-S364 PolarHBondContact OD1-N 3.07Å; D361-S364 PolarHBondContact OD1-OG 3.04Å; D361-S364 PolarHBondContact OD2-OG 2.84Å; S364-L382 CarbonylContact C-O 3.56Å; S364-L382 WeakPolarHBondContact CA-O 3.26Å |
| 365 | L | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.3 | 173.2 | 59.1 | 148 | 0 | 0 | 0 | 110.1 | V357 L367 I381 L382 T384 W393 V394 I397 | V357-L365 WeakPolarHBondContact O-CA 3.33Å; L365-L367 HydrophobicContact CD1-CD2 3.89Å; L365-I381 WeakPolarHBondContact O-CA 3.25Å; L365-L382 HydrophobicContact CD2-CB 4.09Å; L365-L382 HydrophobicContact CG-CB 4.09Å; L365-L382 PolarHBondContact N-O 2.98Å; L365-L382 PolarHBondContact O-N 2.98Å; L365-T384 HydrophobicContact CD2-CG2 3.99Å; L365-W393 HydrophobicContact CD1-CB 4.41Å; L365-W393 HydrophobicContact CD2-CB 4.33Å; L365-V394 HydrophobicContact CB-CG2 4.05Å; L365-I397 HydrophobicContact CD1-CD1 4.01Å |
| 366 | V | 96.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.5 | 172.1 | 139.3 | 0 | 0 | 0 | 0 | 108.7 | C356 V357 L359 V368 I381 | C356-V366 WeakPolarHBondContact CA-O 3.16Å; V357-V366 PolarHBondContact N-O 2.77Å; V357-V366 PolarHBondContact O-N 2.82Å; L359-V366 HydrophobicContact CD1-CG2 4.25Å; L359-V366 HydrophobicContact CD2-CB 4.27Å; L359-V366 HydrophobicContact CD2-CG2 3.91Å; L359-V366 HydrophobicContact CG-CG2 4.31Å; V366-V368 HydrophobicContact CG1-CG2 3.49Å; V366-V368 VanDerWaalsContact CG1-CG2 3.49Å; V366-I381 HydrophobicContact CG2-CD1 4.15Å; V366-I381 HydrophobicContact CG2-CG1 3.69Å |
| 367 | L | 96 | Very high | 93.3 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.6 | 169.9 | -55.6 | -178.6 | 0 | 0 | 0 | 108.1 | L330 L349 M354 N355 C356 L365 V379 T380 L382 I397 | L330-L367 HydrophobicContact CD2-CD1 3.49Å; L330-L367 VanDerWaalsContact CD2-CD1 3.49Å; L349-L367 HydrophobicContact CD1-CD1 4.18Å; M354-L367 HydrophobicContact CE-CD2 3.87Å; M354-L367 HydrophobicContact CG-CB 4.25Å; M354-L367 HydrophobicContact SD-CB 3.92Å; M354-L367 HydrophobicContact SD-CD1 3.98Å; M354-L367 HydrophobicContact SD-CD2 3.78Å; M354-L367 HydrophobicContact SD-CG 4.1Å; N355-L367 CarbonylContact O-C 3.51Å; N355-L367 WeakPolarHBondContact O-CA 3.3Å; C356-L367 HydrophobicContact CB-CD2 3.96Å; L365-L367 HydrophobicContact CD1-CD2 3.89Å; L367-V379 WeakPolarHBondContact O-CA 3.43Å; L367-T380 WeakPolarHBondContact CB-O 3.23Å; L367-T380 PolarHBondContact N-O 3.49Å; L367-T380 PolarHBondContact O-N 2.69Å; L367-L382 HydrophobicContact CD1-CD1 3.54Å; L367-L382 HydrophobicContact CD1-CG 4.08Å; L367-L382 HydrophobicContact CG-CD1 4.36Å; L367-I397 HydrophobicContact CD2-CD1 4.2Å |
| 368 | V | 95.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 70 Ų | 70 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 110.6 | 176.7 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | M354 N355 V366 V370 M376 V379 | M354-V368 CarbonylContact C-O 3.49Å; M354-V368 WeakPolarHBondContact CA-O 3.33Å; N355-V368 HydrophobicContact CB-CB 4.43Å; N355-V368 PolarHBondContact N-O 3.2Å; N355-V368 PolarHBondContact O-N 2.93Å; V366-V368 HydrophobicContact CG1-CG2 3.49Å; V366-V368 VanDerWaalsContact CG1-CG2 3.49Å; V368-V370 HydrophobicContact CG1-CG2 4.28Å; V368-M376 HydrophobicContact CG1-CB 4.47Å; V368-M376 HydrophobicContact CG1-CG 3.99Å; V368-V379 HydrophobicContact CG1-CG2 4.44Å; V368-V379 HydrophobicContact CG2-CG2 4.46Å |
| 369 | E | 94.6 | Very high | 93 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 24% | 0.238 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.2 | 173.2 | -171.9 | -179.1 | -177.9 | 0 | 0 | 109.7 | L349 M377 N378 | L349-E369 HydrophobicContact CD2-CB 4.24Å; L349-E369 HydrophobicContact CD2-CG 4.24Å; L349-E369 WeakPolarHBondContact CD2-OE2 3.38Å; E369-M377 HydrophobicContact CB-CB 4.45Å; E369-M377 HydrophobicContact CG-CB 4.28Å; E369-M377 PolarHBondContact O-N 2.89Å; E369-N378 HydrophobicContact CB-CB 4.04Å; E369-N378 PolarHBondContact N-O 3.48Å; E369-N378 WeakPolarHBondContact OE2-CB 3.37Å |
| 370 | V | 93.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 68 Ų | 68 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.1 | -176.6 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | R353 V368 C375 | R353-V370 PolarHBondContact O-N 3.01Å; V368-V370 HydrophobicContact CG1-CG2 4.28Å; V370-C375 WeakPolarHBondContact CA-O 3.46Å |
| 371 | G | 89.8 | Confident | 93.1 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | trans | -74.8 | 174.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L373 Q374 C375 | G371-L373 PolarHBondContact O-N 2.98Å; G371-Q374 PolarHBondContact O-N 2.68Å; G371-C375 PolarHBondContact N-O 3.03Å | ||
| 372 | E | 87.9 | Confident | 93.2 | Very high | 141 Ų | 141 | 56.3 Ų | 56.3 | 66% | 0.659 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33 | -178.4 | -62.5 | -173.5 | 172 | 0 | 0 | 113 | R353 Q374 | R353-E372 IonicContact CZ-OE1 3.19Å; R353-E372 VanDerWaalsContact CZ-OE1 3.31Å; R353-E372 IonicContact NH1-OE1 2.7Å; R353-E372 PolarHBondContact NH1-OE1 3.36Å; R353-E372 IonicContact NH2-OE1 3.41Å; R353-E372 PolarHBondContact NH2-OE1 2.95Å; E372-Q374 PolarHBondContact O-N 2.78Å |
| 373 | L | 91.4 | Very high | 93.5 | Very high | 155 Ų | 155 | 56.5 Ų | 56.5 | 81% | 0.812 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 17 | 177 | -56.9 | 179.2 | 0 | 0 | 0 | 113.3 | G371 C375 | G371-L373 PolarHBondContact O-N 2.98Å; L373-C375 PolarHBondContact O-N 3.43Å; L373-C375 VanDerWaalsContact O-N 3.07Å; L373-C375 PolarHBondContact O-SG 3.46Å |
| 374 | Q | 89.2 | Confident | 93.5 | Very high | 159 Ų | 159 | 54.3 Ų | 54.3 | 74% | 0.743 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 58.9 | 19.5 | -178.2 | -59.9 | -64.3 | -45.1 | 0 | 0 | 114.5 | G371 E372 | G371-Q374 PolarHBondContact O-N 2.68Å; E372-Q374 PolarHBondContact O-N 2.78Å |
| 375 | C | 90.3 | Very high | 93.4 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 51% | 0.514 | 32% | 0.318 | S | S | . | . | trans | -91.4 | 143.5 | 175.6 | -66.8 | 0 | 0 | 0 | 0 | 110.6 | V370 G371 L373 M377 | V370-C375 WeakPolarHBondContact CA-O 3.46Å; G371-C375 PolarHBondContact N-O 3.03Å; L373-C375 PolarHBondContact O-N 3.43Å; L373-C375 VanDerWaalsContact O-N 3.07Å; L373-C375 PolarHBondContact O-SG 3.46Å; C375-M377 PolarHBondContact O-N 3.19Å | ||
| 376 | M | 92.7 | Very high | 93.2 | Very high | 118 Ų | 118 | 61.1 Ų | 61.1 | 58% | 0.581 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 123 | 173.7 | 171.5 | -84.6 | -42.9 | 0 | 0 | 109.4 | V368 V379 | V368-M376 HydrophobicContact CG1-CB 4.47Å; V368-M376 HydrophobicContact CG1-CG 3.99Å; M376-V379 HydrophobicContact CG-CG2 3.8Å; M376-V379 HydrophobicContact SD-CG2 3.79Å |
| 377 | M | 91.8 | Very high | 93.1 | Very high | 127 Ų | 127 | 63.7 Ų | 63.7 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -40.9 | -179 | -65.5 | -58.3 | -60.7 | 0 | 0 | 111.5 | E369 C375 | E369-M377 HydrophobicContact CB-CB 4.45Å; E369-M377 HydrophobicContact CG-CB 4.28Å; E369-M377 PolarHBondContact O-N 2.89Å; C375-M377 PolarHBondContact O-N 3.19Å |
| 378 | N | 91 | Very high | 93.1 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 147.6 | -177.3 | -165.6 | 4.7 | 0 | 0 | 0 | 110.7 | E369 | E369-N378 HydrophobicContact CB-CB 4.04Å; E369-N378 PolarHBondContact N-O 3.48Å; E369-N378 WeakPolarHBondContact OE2-CB 3.37Å |
| 379 | V | 93.7 | Very high | 93.1 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 42% | 0.424 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122 | 172.6 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | L367 V368 M376 | L367-V379 WeakPolarHBondContact O-CA 3.43Å; V368-V379 HydrophobicContact CG1-CG2 4.44Å; V368-V379 HydrophobicContact CG2-CG2 4.46Å; M376-V379 HydrophobicContact CG-CG2 3.8Å; M376-V379 HydrophobicContact SD-CG2 3.79Å |
| 380 | T | 94.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 69.9 Ų | 69.9 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.3 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | L332 R346 L367 L382 | L332-T380 HydrophobicContact CD1-CG2 4.09Å; R346-T380 PolarHBondContact NH1-OG1 2.95Å; L367-T380 WeakPolarHBondContact CB-O 3.23Å; L367-T380 PolarHBondContact N-O 3.49Å; L367-T380 PolarHBondContact O-N 2.69Å; T380-L382 HydrophobicContact CG2-CD2 3.96Å; T380-L382 HydrophobicContact CG2-CG 4.38Å |
| 381 | I | 95.9 | Very high | 93.2 | Very high | 46 Ų | 46 | 72.5 Ų | 72.5 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116.6 | 175.1 | -50.5 | -179.8 | 0 | 0 | 0 | 108 | I314 R315 L359 L365 V366 | I314-I381 WeakPolarHBondContact CA-O 3.27Å; R315-I381 HydrophobicContact CB-CB 3.82Å; R315-I381 HydrophobicContact CB-CG2 3.8Å; R315-I381 PolarHBondContact N-O 3.29Å; L359-I381 HydrophobicContact CD1-CG2 3.89Å; L365-I381 WeakPolarHBondContact O-CA 3.25Å; V366-I381 HydrophobicContact CG2-CD1 4.15Å; V366-I381 HydrophobicContact CG2-CG1 3.69Å |
| 382 | L | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.7 | 175.2 | -58 | 176.8 | 0 | 0 | 0 | 109.5 | L312 K313 I314 V321 L332 S364 L365 L367 T380 | L312-L382 HydrophobicContact CD1-CB 4.17Å; L312-L382 HydrophobicContact CD1-CD1 3.82Å; L312-L382 HydrophobicContact CD1-CG 4.48Å; K313-L382 CarbonylContact O-C 3.59Å; K313-L382 WeakPolarHBondContact O-CA 3.3Å; I314-L382 HydrophobicContact CG1-CD2 3.99Å; V321-L382 HydrophobicContact CG2-CD2 4.47Å; L332-L382 HydrophobicContact CD1-CD2 4.32Å; L332-L382 HydrophobicContact CD2-CD1 4.06Å; L332-L382 HydrophobicContact CD2-CD2 4.22Å; S364-L382 CarbonylContact C-O 3.56Å; S364-L382 WeakPolarHBondContact CA-O 3.26Å; L365-L382 HydrophobicContact CD2-CB 4.09Å; L365-L382 HydrophobicContact CG-CB 4.09Å; L365-L382 PolarHBondContact N-O 2.98Å; L365-L382 PolarHBondContact O-N 2.98Å; L367-L382 HydrophobicContact CD1-CD1 3.54Å; L367-L382 HydrophobicContact CD1-CG 4.08Å; L367-L382 HydrophobicContact CG-CD1 4.36Å; T380-L382 HydrophobicContact CG2-CD2 3.96Å; T380-L382 HydrophobicContact CG2-CG 4.38Å |
| 383 | V | 96.1 | Very high | 94 | Very high | 35 Ų | 35 | 68.5 Ų | 68.5 | 21% | 0.212 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.2 | 179.1 | -174.6 | 0 | 0 | 0 | 0 | 108 | K313 R315 N363 | K313-V383 HydrophobicContact CB-CB 4.2Å; K313-V383 PolarHBondContact N-O 3.39Å; K313-V383 PolarHBondContact O-N 3.49Å; R315-V383 HydrophobicContact CB-CG2 3.86Å; N363-V383 CarbonylContact O-C 3.4Å; N363-V383 WeakPolarHBondContact O-CA 3.33Å |
| 384 | T | 95.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.055 | 34% | 0.341 | C | S | . | . | trans | -90.3 | 164.1 | 174.9 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | L312 N363 L365 N386 K389 C390 | L312-T384 HydrophobicContact CD2-CG2 3.8Å; N363-T384 PolarHBondContact O-N 3.46Å; N363-T384 PolarHBondContact O-OG1 3.25Å; N363-T384 VanDerWaalsContact O-OG1 3.05Å; L365-T384 HydrophobicContact CD2-CG2 3.99Å; T384-N386 VanDerWaalsContact C-N 3.32Å; T384-N386 PolarHBondContact OG1-O 3.05Å; T384-K389 HydrophobicContact CG2-CB 4.2Å; T384-C390 HydrophobicContact CG2-CB 4.13Å; T384-C390 WeakPolarHBondContact OG1-CB 3.45Å; T384-C390 PolarHBondContact OG1-N 3.22Å | ||
| 385 | S | 93.1 | Very high | 94.5 | Very high | 90 Ų | 90 | 61 Ų | 61 | 63% | 0.629 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -73.3 | -23.2 | 177.9 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | K389 | S385-K389 WeakPolarHBondContact OG-CD 3.29Š|
| 386 | N | 93.1 | Very high | 94.8 | Very high | 55 Ų | 55 | 58.5 Ų | 58.5 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -153.2 | 167.6 | 179.1 | 66 | 37.6 | 0 | 0 | 0 | 112 | T384 E388 K389 C390 | T384-N386 VanDerWaalsContact C-N 3.32Å; T384-N386 PolarHBondContact OG1-O 3.05Å; N386-E388 VanDerWaalsContact C-N 3.34Å; N386-E388 PolarHBondContact O-N 3.43Å; N386-E388 PolarHBondContact OD1-N 3Å; N386-K389 PolarHBondContact O-N 3.22Å; N386-K389 WeakPolarHBondContact OD1-CB 3.35Å; N386-K389 WeakPolarHBondContact OD1-CG 3.29Å; N386-K389 PolarHBondContact OD1-N 3.08Å; N386-C390 PolarHBondContact O-N 3.15Å |
| 387 | P | 94.5 | Very high | 95 | Very high | 76 Ų | 76 | 53 Ų | 53 | 49% | 0.494 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.1 | -31.1 | -175.8 | -17.9 | 27.7 | 0 | 0 | 0 | 113.6 | G362 N363 C390 S391 | G362-P387 WeakPolarHBondContact O-CA 3.47Å; N363-P387 VanDerWaalsContact OD1-CA 3.28Å; N363-P387 WeakPolarHBondContact OD1-CA 3.06Å; N363-P387 WeakPolarHBondContact OD1-CD 3.24Å; N363-P387 WeakPolarHBondContact OD1-CG 3.4Å; P387-C390 WeakPolarHBondContact O-CB 3.49Å; P387-C390 PolarHBondContact O-N 3.35Å; P387-S391 PolarHBondContact O-N 3.07Å |
| 388 | E | 95 | Very high | 95 | Very high | 150 Ų | 150 | 52.8 Ų | 52.8 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.8 | -42.6 | 179.2 | -64.6 | 177.4 | 176.6 | 0 | 0 | 111.4 | N386 S391 T392 | N386-E388 VanDerWaalsContact C-N 3.34Å; N386-E388 PolarHBondContact O-N 3.43Å; N386-E388 PolarHBondContact OD1-N 3Å; E388-S391 PolarHBondContact O-N 3.15Å; E388-T392 WeakPolarHBondContact O-CB 3.33Å; E388-T392 PolarHBondContact O-N 3.06Å; E388-T392 PolarHBondContact O-OG1 3.25Å |
| 389 | K | 95.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 172.3 | -79.8 | -177.1 | 165.5 | -152.2 | 0 | 111.5 | D310 T384 S385 N386 S391 T392 W393 | D310-K389 IonicContact OD1-NZ 2.68Å; D310-K389 PolarHBondContact OD1-NZ 3.03Å; D310-K389 VanDerWaalsContact OD2-CD 3.3Å; D310-K389 WeakPolarHBondContact OD2-CD 3.45Å; D310-K389 VanDerWaalsContact OD2-CE 3.29Å; D310-K389 WeakPolarHBondContact OD2-CE 3.46Å; D310-K389 IonicContact OD2-NZ 3.79Å; D310-K389 PolarHBondContact OD2-NZ 3.45Å; T384-K389 HydrophobicContact CG2-CB 4.2Å; S385-K389 WeakPolarHBondContact OG-CD 3.29Å; N386-K389 PolarHBondContact O-N 3.22Å; N386-K389 WeakPolarHBondContact OD1-CB 3.35Å; N386-K389 WeakPolarHBondContact OD1-CG 3.29Å; N386-K389 PolarHBondContact OD1-N 3.08Å; K389-S391 VanDerWaalsContact C-N 3.34Å; K389-S391 PolarHBondContact O-N 3.01Å; K389-T392 WeakPolarHBondContact O-CB 3.34Å; K389-T392 PolarHBondContact O-N 3.16Å; K389-W393 VanDerWaalsContact O-CD1 3.25Å; K389-W393 PolarHBondContact O-N 2.8Å |
| 390 | C | 96.1 | Very high | 95 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 175.8 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | G362 T384 N386 P387 T392 W393 V394 | G362-C390 WeakPolarHBondContact O-CB 3.44Å; T384-C390 HydrophobicContact CG2-CB 4.13Å; T384-C390 WeakPolarHBondContact OG1-CB 3.45Å; T384-C390 PolarHBondContact OG1-N 3.22Å; N386-C390 PolarHBondContact O-N 3.15Å; P387-C390 WeakPolarHBondContact O-CB 3.49Å; P387-C390 PolarHBondContact O-N 3.35Å; C390-T392 VanDerWaalsContact C-N 3.34Å; C390-T392 PolarHBondContact O-N 2.81Å; C390-W393 PolarHBondContact O-N 3.25Å; C390-V394 VanDerWaalsContact O-CG2 3.32Å; C390-V394 WeakPolarHBondContact O-CG2 3.37Å; C390-V394 PolarHBondContact O-N 3.12Å |
| 391 | S | 95.4 | Very high | 94.5 | Very high | 78 Ų | 78 | 59 Ų | 59 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 175.4 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | P387 E388 K389 V394 K395 | P387-S391 PolarHBondContact O-N 3.07Å; E388-S391 PolarHBondContact O-N 3.15Å; K389-S391 VanDerWaalsContact C-N 3.34Å; K389-S391 PolarHBondContact O-N 3.01Å; S391-V394 PolarHBondContact O-N 3.48Å; S391-K395 VanDerWaalsContact O-CB 3.28Å; S391-K395 WeakPolarHBondContact O-CB 3.35Å; S391-K395 PolarHBondContact O-N 2.86Å |
| 392 | T | 96.7 | Very high | 94.4 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | L308 E388 K389 C390 K395 A396 | L308-T392 HydrophobicContact CD2-CG2 4.29Å; E388-T392 WeakPolarHBondContact O-CB 3.33Å; E388-T392 PolarHBondContact O-N 3.06Å; E388-T392 PolarHBondContact O-OG1 3.25Å; K389-T392 WeakPolarHBondContact O-CB 3.34Å; K389-T392 PolarHBondContact O-N 3.16Å; C390-T392 VanDerWaalsContact C-N 3.34Å; C390-T392 PolarHBondContact O-N 2.81Å; T392-K395 PolarHBondContact O-N 3.23Å; T392-A396 VanDerWaalsContact O-CB 3.26Å; T392-A396 WeakPolarHBondContact O-CB 3.12Å; T392-A396 PolarHBondContact O-N 3.25Å |
| 393 | W | 97 | Very high | 94.4 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 177.5 | -88.1 | 98.6 | 0 | 0 | 0 | 112.4 | L308 D310 L312 A323 L325 L330 L365 K389 C390 K395 A396 I397 | L308-W393 HydrophobicContact CB-CH2 4.25Å; L308-W393 HydrophobicContact CB-CZ2 4.39Å; L308-W393 HydrophobicContact CD2-CD2 3.42Å; L308-W393 VanDerWaalsContact CD2-CD2 3.42Å; L308-W393 HydrophobicContact CD2-CE3 3.85Å; L308-W393 HydrophobicContact CD2-CG 3.79Å; L308-W393 HydrophobicContact CD2-CH2 4.14Å; L308-W393 HydrophobicContact CD2-CZ2 3.75Å; L308-W393 HydrophobicContact CD2-CZ3 4.21Å; L308-W393 HydrophobicContact CG-CD2 4.34Å; L308-W393 HydrophobicContact CG-CH2 4.1Å; L308-W393 HydrophobicContact CG-CZ2 3.74Å; D310-W393 HydrophobicContact CB-CZ2 3.6Å; L312-W393 HydrophobicContact CD1-CD2 4.22Å; L312-W393 HydrophobicContact CD1-CZ2 4.06Å; A323-W393 HydrophobicContact CB-CH2 3.6Å; A323-W393 HydrophobicContact CB-CZ2 3.99Å; A323-W393 HydrophobicContact CB-CZ3 4.26Å; L325-W393 HydrophobicContact CB-CH2 4.15Å; L325-W393 HydrophobicContact CB-CZ3 3.74Å; L325-W393 HydrophobicContact CD2-CZ3 4.48Å; L330-W393 HydrophobicContact CD1-CH2 4.48Å; L330-W393 HydrophobicContact CD1-CZ3 3.9Å; L365-W393 HydrophobicContact CD1-CB 4.41Å; L365-W393 HydrophobicContact CD2-CB 4.33Å; K389-W393 VanDerWaalsContact O-CD1 3.25Å; K389-W393 PolarHBondContact O-N 2.8Å; C390-W393 PolarHBondContact O-N 3.25Å; W393-K395 VanDerWaalsContact C-N 3.33Å; W393-K395 PolarHBondContact O-N 3.29Å; W393-A396 PolarHBondContact O-N 2.89Å; W393-I397 HydrophobicContact CE3-CD1 4.25Å; W393-I397 WeakPolarHBondContact O-CB 3.44Å; W393-I397 WeakPolarHBondContact O-CG1 3.37Å; W393-I397 PolarHBondContact O-N 3.09Å |
| 394 | V | 96 | Very high | 94.3 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 178.7 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | P358 L365 C390 S391 K398 | P358-V394 HydrophobicContact CB-CG2 4.12Å; P358-V394 HydrophobicContact CG-CG1 4.44Å; P358-V394 HydrophobicContact CG-CG2 4.49Å; L365-V394 HydrophobicContact CB-CG2 4.05Å; C390-V394 VanDerWaalsContact O-CG2 3.32Å; C390-V394 WeakPolarHBondContact O-CG2 3.37Å; C390-V394 PolarHBondContact O-N 3.12Å; S391-V394 PolarHBondContact O-N 3.48Å; V394-K398 HydrophobicContact CG1-CD 4.14Å; V394-K398 WeakPolarHBondContact O-CB 3.39Å; V394-K398 VanDerWaalsContact O-CG 3.26Å; V394-K398 WeakPolarHBondContact O-CG 3.41Å; V394-K398 PolarHBondContact O-N 3.07Å; V394-K398 VanDerWaalsContact O-N 3.13Å |
| 395 | K | 95.9 | Very high | 94.2 | Very high | 146 Ų | 146 | 67.6 Ų | 67.6 | 64% | 0.635 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.3 | -48.3 | 176.5 | -174.7 | -179.7 | 177.9 | -176.3 | 0 | 111 | S391 T392 W393 I397 K398 T399 | S391-K395 VanDerWaalsContact O-CB 3.28Å; S391-K395 WeakPolarHBondContact O-CB 3.35Å; S391-K395 PolarHBondContact O-N 2.86Å; T392-K395 PolarHBondContact O-N 3.23Å; W393-K395 VanDerWaalsContact C-N 3.33Å; W393-K395 PolarHBondContact O-N 3.29Å; K395-I397 PolarHBondContact O-N 3.36Å; K395-K398 PolarHBondContact O-N 3.2Å; K395-T399 PolarHBondContact O-N 3.42Å; K395-T399 PolarHBondContact O-OG1 3.03Å; K395-T399 VanDerWaalsContact O-OG1 3.11Å |
| 396 | A | 96.6 | Very high | 94.3 | Very high | 23 Ų | 23 | 66.3 Ų | 66.3 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L308 L325 T392 W393 K398 T399 A400 | L308-A396 HydrophobicContact CD2-CB 4.21Å; L325-A396 HydrophobicContact CD2-CB 3.58Å; T392-A396 VanDerWaalsContact O-CB 3.26Å; T392-A396 WeakPolarHBondContact O-CB 3.12Å; T392-A396 PolarHBondContact O-N 3.25Å; W393-A396 PolarHBondContact O-N 2.89Å; A396-K398 VanDerWaalsContact C-N 3.35Å; A396-K398 PolarHBondContact O-N 3.46Å; A396-T399 PolarHBondContact O-N 3.23Å; A396-A400 WeakPolarHBondContact O-CB 3.2Å; A396-A400 PolarHBondContact O-N 3.15Å |
| 397 | I | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.2 | -69.1 | 167.2 | 0 | 0 | 0 | 111.1 | L325 L351 M354 C356 L365 L367 W393 K395 T399 A400 K401 | L325-I397 HydrophobicContact CD1-CG1 3.88Å; L325-I397 HydrophobicContact CD2-CG1 3.94Å; L351-I397 HydrophobicContact CD2-CG2 4.42Å; M354-I397 HydrophobicContact CE-CD1 4.41Å; M354-I397 HydrophobicContact CE-CG2 3.8Å; C356-I397 HydrophobicContact CB-CB 4.45Å; C356-I397 HydrophobicContact CB-CD1 4.36Å; C356-I397 HydrophobicContact CB-CG2 3.74Å; L365-I397 HydrophobicContact CD1-CD1 4.01Å; L367-I397 HydrophobicContact CD2-CD1 4.2Å; W393-I397 HydrophobicContact CE3-CD1 4.25Å; W393-I397 WeakPolarHBondContact O-CB 3.44Å; W393-I397 WeakPolarHBondContact O-CG1 3.37Å; W393-I397 PolarHBondContact O-N 3.09Å; K395-I397 PolarHBondContact O-N 3.36Å; I397-T399 VanDerWaalsContact C-N 3.34Å; I397-T399 PolarHBondContact O-N 3.08Å; I397-A400 PolarHBondContact O-N 2.78Å; I397-K401 PolarHBondContact O-N 2.92Å |
| 398 | K | 93.1 | Very high | 94.3 | Very high | 123 Ų | 123 | 66.4 Ų | 66.4 | 54% | 0.535 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68 | -31.1 | 178.7 | -76.1 | 177.4 | 179.5 | -177.3 | 0 | 113.7 | V394 K395 A396 | V394-K398 HydrophobicContact CG1-CD 4.14Å; V394-K398 WeakPolarHBondContact O-CB 3.39Å; V394-K398 VanDerWaalsContact O-CG 3.26Å; V394-K398 WeakPolarHBondContact O-CG 3.41Å; V394-K398 PolarHBondContact O-N 3.07Å; V394-K398 VanDerWaalsContact O-N 3.13Å; K395-K398 PolarHBondContact O-N 3.2Å; A396-K398 VanDerWaalsContact C-N 3.35Å; A396-K398 PolarHBondContact O-N 3.46Å |
| 399 | T | 93.3 | Very high | 94.3 | Very high | 105 Ų | 105 | 59.9 Ų | 59.9 | 64% | 0.644 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -81 | -26.9 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | K395 A396 I397 | K395-T399 PolarHBondContact O-N 3.42Å; K395-T399 PolarHBondContact O-OG1 3.03Å; K395-T399 VanDerWaalsContact O-OG1 3.11Å; A396-T399 PolarHBondContact O-N 3.23Å; I397-T399 VanDerWaalsContact C-N 3.34Å; I397-T399 PolarHBondContact O-N 3.08Å |
| 400 | A | 90.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 20% | 0.198 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -75.7 | -36.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L307 L351 A396 I397 | L307-A400 HydrophobicContact CD1-CB 3.58Å; L351-A400 HydrophobicContact CD1-CB 3.62Å; A396-A400 WeakPolarHBondContact O-CB 3.2Å; A396-A400 PolarHBondContact O-N 3.15Å; I397-A400 PolarHBondContact O-N 2.78Å |
| 401 | K | 84.1 | Confident | 94 | Very high | 125 Ų | 125 | 64.5 Ų | 64.5 | 54% | 0.543 | 35% | 0.347 | S | S | . | . | trans | -63.5 | 0 | 166.3 | -73.3 | -172.3 | 177.5 | -125.5 | 0 | 111.6 | L351 M354 I397 | L351-K401 HydrophobicContact CB-CG 4.04Å; L351-K401 WeakPolarHBondContact O-CE 3.31Å; L351-K401 PolarHBondContact O-NZ 2.87Å; M354-K401 WeakPolarHBondContact O-CE 3.5Å; M354-K401 PolarHBondContact O-NZ 2.52Å; I397-K401 PolarHBondContact O-N 2.92Å |
Retrieved 401 of 401 residues in 965.7 ms
(Link to these results)