| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.1 | Very low | 43.8 | Very low | 219 Ų | 219 | 144.4 Ų | 144.4 | 100% | 1.079 | 67% | 0.667 | S | S | * | * | 0 | -45 | 0 | -82.7 | 172.5 | 152.5 | 0 | 0 | 114.6 | K3 R4 A5 | M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 3.03Å; M1-R4 PolarHBondContact O-N 3.19Å; M1-A5 PolarHBondContact O-N 3.42Å | |||
| 2 | K | 45.2 | Very low | 43.5 | Very low | 191 Ų | 191 | 144 Ų | 144 | 83% | 0.83 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -59.9 | -30.4 | -179.1 | -77.8 | -180 | 174.2 | 178 | 0 | 116.5 | K6 | K2-K6 PolarHBondContact O-N 3.32Å; K2-K6 VanDerWaalsContact O-N 3.15Å |
| 3 | K | 41.8 | Very low | 43.2 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 84% | 0.839 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.2 | -26.1 | 178.1 | -127.8 | 178.2 | -176.2 | -179.5 | 0 | 113.4 | M1 R7 | M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 3.03Å; K3-R7 WeakPolarHBondContact O-CB 3.48Å; K3-R7 PolarHBondContact O-N 3.29Å |
| 4 | R | 45.1 | Very low | 43 | Very low | 214 Ų | 214 | 144.9 Ų | 144.9 | 81% | 0.808 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -83.9 | -35.4 | 178.8 | -141.2 | 175.7 | -179.2 | -178.1 | -0.5 | 111 | M1 R7 A8 | M1-R4 PolarHBondContact O-N 3.19Å; R4-R7 PolarHBondContact O-N 3.41Å; R4-A8 WeakPolarHBondContact O-CB 3.44Å; R4-A8 PolarHBondContact O-N 3.44Å |
| 5 | A | 45.2 | Very low | 42.7 | Very low | 54 Ų | 54 | 146.1 Ų | 146.1 | 45% | 0.446 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -66.8 | -39.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 R7 A8 L9 | M1-A5 PolarHBondContact O-N 3.42Å; A5-R7 VanDerWaalsContact C-N 3.3Å; A5-R7 PolarHBondContact O-N 2.85Å; A5-A8 PolarHBondContact O-N 3.48Å; A5-L9 WeakPolarHBondContact O-CB 3.22Å; A5-L9 WeakPolarHBondContact O-CG 3.35Å; A5-L9 PolarHBondContact O-N 2.8Å |
| 6 | K | 43.9 | Very low | 43 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 73% | 0.726 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.3 | -28.4 | 172.1 | -98.4 | -173.3 | 173.9 | -173.4 | 0 | 113.7 | K2 K10 | K2-K6 PolarHBondContact O-N 3.32Å; K2-K6 VanDerWaalsContact O-N 3.15Å; K6-K10 VanDerWaalsContact O-CB 3.22Å; K6-K10 WeakPolarHBondContact O-CB 3.28Å; K6-K10 PolarHBondContact O-N 3.41Å; K6-K10 VanDerWaalsContact O-N 3.11Å |
| 7 | R | 45.6 | Very low | 43.8 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 63% | 0.63 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -79.2 | -36.6 | 176.1 | -167.3 | 176.3 | 169.9 | 172.6 | 4 | 111.3 | K3 R4 A5 K10 E11 | K3-R7 WeakPolarHBondContact O-CB 3.48Å; K3-R7 PolarHBondContact O-N 3.29Å; R4-R7 PolarHBondContact O-N 3.41Å; A5-R7 VanDerWaalsContact C-N 3.3Å; A5-R7 PolarHBondContact O-N 2.85Å; R7-K10 PolarHBondContact O-N 3.32Å; R7-E11 IonicContact CZ-OE1 3.33Å; R7-E11 IonicContact NE-OE1 3.43Å; R7-E11 PolarHBondContact NE-OE1 3.5Å; R7-E11 VanDerWaalsContact NE-OE1 3.13Å; R7-E11 IonicContact NH2-OE1 3.92Å; R7-E11 VanDerWaalsContact O-CB 3.27Å; R7-E11 WeakPolarHBondContact O-CB 3.28Å; R7-E11 VanDerWaalsContact O-CG 3.27Å; R7-E11 WeakPolarHBondContact O-CG 3.27Å; R7-E11 PolarHBondContact O-N 2.87Å |
| 8 | A | 43.6 | Very low | 45 | Very low | 46 Ų | 46 | 145.6 Ų | 145.6 | 38% | 0.38 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -65.8 | -42.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R4 A5 K10 E11 E12 | R4-A8 WeakPolarHBondContact O-CB 3.44Å; R4-A8 PolarHBondContact O-N 3.44Å; A5-A8 PolarHBondContact O-N 3.48Å; A8-K10 VanDerWaalsContact C-N 3.33Å; A8-K10 PolarHBondContact O-N 3.23Å; A8-E11 PolarHBondContact O-N 3.46Å; A8-E12 WeakPolarHBondContact O-CB 3.44Å; A8-E12 WeakPolarHBondContact O-CG 3.41Å; A8-E12 PolarHBondContact O-N 3.37Å |
| 9 | L | 45.5 | Very low | 46.2 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 56% | 0.555 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.5 | -33.1 | 174.1 | -76.2 | 162.5 | 0 | 0 | 0 | 112.7 | A5 E12 E13 | A5-L9 WeakPolarHBondContact O-CB 3.22Å; A5-L9 WeakPolarHBondContact O-CG 3.35Å; A5-L9 PolarHBondContact O-N 2.8Å; L9-E12 PolarHBondContact O-N 2.81Å; L9-E13 PolarHBondContact O-N 3.21Å |
| 10 | K | 39.4 | Very low | 47.1 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 54% | 0.539 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -76.9 | -32.4 | 175.4 | -161.6 | 178.1 | -178.9 | -167.6 | 0 | 112.4 | K6 R7 A8 E12 E14 | K6-K10 VanDerWaalsContact O-CB 3.22Å; K6-K10 WeakPolarHBondContact O-CB 3.28Å; K6-K10 PolarHBondContact O-N 3.41Å; K6-K10 VanDerWaalsContact O-N 3.11Å; R7-K10 PolarHBondContact O-N 3.32Å; A8-K10 VanDerWaalsContact C-N 3.33Å; A8-K10 PolarHBondContact O-N 3.23Å; K10-E12 VanDerWaalsContact C-N 3.31Å; K10-E14 WeakPolarHBondContact O-CB 3.4Å; K10-E14 PolarHBondContact O-N 2.87Å |
| 11 | E | 40.3 | Very low | 47.8 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 50% | 0.5 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.6 | -21.4 | 171 | -76.7 | 166 | -173.3 | 0 | 0 | 112 | R7 A8 | R7-E11 IonicContact CZ-OE1 3.33Å; R7-E11 IonicContact NE-OE1 3.43Å; R7-E11 PolarHBondContact NE-OE1 3.5Å; R7-E11 VanDerWaalsContact NE-OE1 3.13Å; R7-E11 IonicContact NH2-OE1 3.92Å; R7-E11 VanDerWaalsContact O-CB 3.27Å; R7-E11 WeakPolarHBondContact O-CB 3.28Å; R7-E11 VanDerWaalsContact O-CG 3.27Å; R7-E11 WeakPolarHBondContact O-CG 3.27Å; R7-E11 PolarHBondContact O-N 2.87Å; A8-E11 PolarHBondContact O-N 3.46Å |
| 12 | E | 40.7 | Very low | 48.6 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 65% | 0.654 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -83.2 | -35.1 | 170.1 | -78.6 | 177.6 | 167.8 | 0 | 0 | 113 | A8 L9 K10 | A8-E12 WeakPolarHBondContact O-CB 3.44Å; A8-E12 WeakPolarHBondContact O-CG 3.41Å; A8-E12 PolarHBondContact O-N 3.37Å; L9-E12 PolarHBondContact O-N 2.81Å; K10-E12 VanDerWaalsContact C-N 3.31Å |
| 13 | E | 39.8 | Very low | 49.9 | Very low | 163 Ų | 163 | 116.9 Ų | 116.9 | 76% | 0.762 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -77.5 | -28.4 | 173.2 | -84.5 | -178.8 | 150.4 | 0 | 0 | 113.7 | L9 K15 | L9-E13 PolarHBondContact O-N 3.21Å; E13-K15 VanDerWaalsContact C-N 3.26Å; E13-K15 PolarHBondContact O-N 3.26Å |
| 14 | E | 39.3 | Very low | 51.4 | Low | 138 Ų | 138 | 108.1 Ų | 108.1 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -80.5 | -1.7 | 174.7 | -83.9 | 174.5 | 177.1 | 0 | 0 | 113.7 | K10 E16 | K10-E14 WeakPolarHBondContact O-CB 3.4Å; K10-E14 PolarHBondContact O-N 2.87Å; E14-E16 PolarHBondContact O-N 2.95Å |
| 15 | K | 38.5 | Very low | 52.8 | Low | 162 Ų | 162 | 101.5 Ų | 101.5 | 70% | 0.704 | 51% | 0.511 | S | S | * | . | trans | -84.7 | 59.2 | 158.7 | -78.5 | -175.2 | 178.7 | 179.8 | 0 | 110 | E13 E17 | E13-K15 VanDerWaalsContact C-N 3.26Å; E13-K15 PolarHBondContact O-N 3.26Å; K15-E17 PolarHBondContact O-N 2.86Å | ||
| 16 | E | 48.7 | Very low | 54 | Low | 173 Ų | 173 | 100.3 Ų | 100.3 | 81% | 0.808 | 50% | 0.497 | S | S | * | . | trans | -61.3 | 93.5 | 143 | -83.8 | -173.2 | 153.3 | 0 | 0 | 104.9 | E14 V18 | E14-E16 PolarHBondContact O-N 2.95Å; E16-V18 PolarHBondContact O-N 2.97Å | ||
| 17 | E | 56.4 | Low | 55 | Low | 123 Ų | 123 | 99.4 Ų | 99.4 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | trans | -51.7 | 110.1 | -178.9 | -72.8 | -166.8 | 162.1 | 0 | 0 | 108.3 | K15 L19 R31 | K15-E17 PolarHBondContact O-N 2.86Å; E17-L19 PolarHBondContact O-N 3.01Å; E17-R31 IonicContact OE2-CZ 2.71Å; E17-R31 IonicContact OE2-NH1 3.62Å; E17-R31 PolarHBondContact OE2-NH1 3.31Å | ||
| 18 | V | 65.3 | Low | 56.1 | Low | 134 Ų | 134 | 97.6 Ų | 97.6 | 81% | 0.812 | 49% | 0.487 | S | S | * | . | trans | -58.3 | 103.9 | -179.7 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | E16 C20 | E16-V18 PolarHBondContact O-N 2.97Å; V18-C20 PolarHBondContact O-N 3.17Å | ||
| 19 | L | 67 | Low | 57.4 | Low | 45 Ų | 45 | 98.2 Ų | 98.2 | 24% | 0.236 | 50% | 0.498 | C | S | . | . | trans | -63.3 | 129.9 | 177.8 | -68.3 | 165.7 | 0 | 0 | 0 | 108.8 | E17 E23 V25 R31 | E17-L19 PolarHBondContact O-N 3.01Å; L19-E23 HydrophobicContact CB-CB 4.43Å; L19-E23 HydrophobicContact CD2-CB 4.08Å; L19-V25 HydrophobicContact CD1-CG2 4.38Å; L19-R31 HydrophobicContact CD2-CG 4.28Å | ||
| 20 | C | 64.4 | Low | 58.8 | Low | 72 Ų | 72 | 98.9 Ų | 98.9 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | trans | -62.5 | 156.5 | 169 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | V18 C22 E23 G81 | V18-C20 PolarHBondContact O-N 3.17Å; C20-C22 PolarHBondContact O-N 2.87Å; C20-E23 HydrophobicContact CB-CB 4.47Å; C20-E23 HydrophobicContact CB-CG 4.03Å; C20-E23 WeakPolarHBondContact CB-OE2 3.28Å; C20-E23 PolarHBondContact N-OE2 3.06Å; C20-E23 PolarHBondContact O-N 2.99Å; C20-G81 WeakPolarHBondContact O-CA 3.39Å | ||
| 21 | C | 63 | Low | 60.4 | Low | 52 Ų | 52 | 98.7 Ų | 98.7 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -25.5 | -174.1 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | P76 W77 G81 A82 | C21-P76 HydrophobicContact CB-CB 4.4Å; C21-P76 WeakPolarHBondContact O-CA 3.4Å; C21-P76 WeakPolarHBondContact O-CB 3.32Å; C21-W77 VanDerWaalsContact CA-O 3.3Å; C21-W77 WeakPolarHBondContact CA-O 3.43Å; C21-W77 WeakPolarHBondContact CB-O 3.11Å; C21-W77 PolarHBondContact O-N 3.39Å; C21-G81 CarbonylContact O-C 3.52Å; C21-A82 WeakPolarHBondContact O-CA 3.32Å; C21-A82 PolarHBondContact O-N 3.14Å |
| 22 | C | 61.3 | Low | 62 | Low | 35 Ų | 35 | 95 Ų | 95 | 24% | 0.236 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 4.9 | 179.4 | -59.1 | 0 | 0 | 0 | 0 | 114.5 | C20 H33 V34 | C20-C22 PolarHBondContact O-N 2.87Å; C22-H33 WeakPolarHBondContact CB-NE2 3.47Å; C22-H33 WeakPolarHBondContact O-CA 3.27Å; C22-H33 PolarHBondContact O-CD2 2.81Å; C22-H33 VanDerWaalsContact O-CD2 3.31Å; C22-V34 WeakPolarHBondContact O-CG2 3.21Å; C22-V34 PolarHBondContact O-N 2.99Å |
| 23 | E | 73.7 | Confident | 63.5 | Low | 40 Ų | 40 | 92.5 Ų | 92.5 | 19% | 0.187 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 150.6 | -177.4 | -65.2 | 176.9 | 125.6 | 0 | 0 | 111.8 | L19 C20 R31 S32 G81 A82 | L19-E23 HydrophobicContact CB-CB 4.43Å; L19-E23 HydrophobicContact CD2-CB 4.08Å; C20-E23 HydrophobicContact CB-CB 4.47Å; C20-E23 HydrophobicContact CB-CG 4.03Å; C20-E23 WeakPolarHBondContact CB-OE2 3.28Å; C20-E23 PolarHBondContact N-OE2 3.06Å; C20-E23 PolarHBondContact O-N 2.99Å; E23-R31 VanDerWaalsContact CD-NE 3.27Å; E23-R31 IonicContact OE1-CZ 3.05Å; E23-R31 IonicContact OE1-NE 3.54Å; E23-R31 PolarHBondContact OE1-NE 3.16Å; E23-R31 IonicContact OE1-NH2 3.31Å; E23-R31 PolarHBondContact OE1-NH2 2.88Å; E23-R31 VanDerWaalsContact OE1-NH2 3.1Å; E23-R31 IonicContact OE2-CZ 2.89Å; E23-R31 IonicContact OE2-NE 2.86Å; E23-R31 PolarHBondContact OE2-NE 3.2Å; E23-R31 IonicContact OE2-NH2 3.33Å; E23-R31 PolarHBondContact OE2-NH2 2.79Å; E23-S32 CarbonylContact C-O 3.56Å; E23-S32 VanDerWaalsContact CA-O 3.31Å; E23-S32 WeakPolarHBondContact CA-O 3.46Å; E23-G81 CarbonylContact O-C 3.56Å; E23-G81 WeakPolarHBondContact O-CA 3.48Å; E23-A82 PolarHBondContact O-N 3.47Å |
| 24 | Y | 72.2 | Confident | 64.8 | Low | 9 Ų | 9 | 86.3 Ų | 86.3 | 4% | 0.035 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 159.5 | 179.6 | 66.4 | -91.1 | 0 | 0 | 0 | 112 | N26 S32 V34 R74 A82 | Y24-N26 HydrophobicContact CE2-CB 4.02Å; Y24-S32 PolarHBondContact N-O 3.34Å; Y24-S32 PolarHBondContact O-N 3.17Å; Y24-V34 HydrophobicContact CD1-CG2 4.46Å; Y24-R74 VanDerWaalsContact CB-NH1 3.29Å; Y24-R74 VanDerWaalsContact CD2-NE 3.26Å; Y24-R74 VanDerWaalsContact CE2-NE 3.3Å; Y24-R74 VanDerWaalsContact CE2-NH2 3.29Å; Y24-R74 VanDerWaalsContact CG-CZ 3.45Å; Y24-A82 HydrophobicContact CD1-CB 4.3Å |
| 25 | V | 75.5 | Confident | 65.8 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122 | 169.4 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | L19 G29 E30 R74 | L19-V25 HydrophobicContact CD1-CG2 4.38Å; V25-G29 VanDerWaalsContact CG1-C 3.46Å; V25-E30 CarbonylContact C-O 3.55Å; V25-E30 WeakPolarHBondContact CA-O 3.16Å; V25-R74 PolarHBondContact O-NH2 2.99Å |
| 26 | N | 70.1 | Confident | 67 | Low | 29 Ų | 29 | 77 Ų | 77 | 16% | 0.155 | 42% | 0.418 | C | S | . | . | trans | -73.8 | 175.7 | 178.3 | 74 | 11.9 | 0 | 0 | 0 | 111 | Y24 H28 G29 E30 | Y24-N26 HydrophobicContact CE2-CB 4.02Å; N26-H28 PolarHBondContact O-N 3.23Å; N26-H28 VanDerWaalsContact O-N 3.13Å; N26-H28 VanDerWaalsContact OD1-CA 3.31Å; N26-H28 WeakPolarHBondContact OD1-CA 3.34Å; N26-H28 WeakPolarHBondContact OD1-CB 3.37Å; N26-H28 PolarHBondContact OD1-N 2.94Å; N26-G29 PolarHBondContact O-N 3.25Å; N26-G29 VanDerWaalsContact O-N 3.09Å; N26-G29 PolarHBondContact OD1-N 2.91Å; N26-G29 VanDerWaalsContact OD1-N 3.1Å; N26-E30 PolarHBondContact N-O 3.27Å; N26-E30 PolarHBondContact ND2-OE2 2.91Å; N26-E30 VanDerWaalsContact ND2-OE2 3.11Å; N26-E30 PolarHBondContact OD1-N 2.99Å; N26-E30 PolarHBondContact OD1-O 3.13Å | ||
| 27 | R | 64.9 | Low | 67.2 | Low | 148 Ų | 148 | 71 Ų | 71 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16 | 178.1 | 65.6 | -174 | 175.3 | -171.1 | -6.1 | 114.6 | ||
| 28 | H | 68.8 | Low | 67 | Low | 129 Ų | 129 | 71 Ų | 71 | 60% | 0.597 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 1.8 | 178.6 | -57.2 | -71.7 | 0 | 0 | 0 | 112.5 | N26 E30 | N26-H28 PolarHBondContact O-N 3.23Å; N26-H28 VanDerWaalsContact O-N 3.13Å; N26-H28 VanDerWaalsContact OD1-CA 3.31Å; N26-H28 WeakPolarHBondContact OD1-CA 3.34Å; N26-H28 WeakPolarHBondContact OD1-CB 3.37Å; N26-H28 PolarHBondContact OD1-N 2.94Å; H28-E30 HydrophobicContact CB-CG 4.4Å |
| 29 | G | 70 | Confident | 66.3 | Low | 58 Ų | 58 | 68.5 Ų | 68.5 | 60% | 0.598 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 83.7 | 9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V25 N26 | V25-G29 VanDerWaalsContact CG1-C 3.46Å; N26-G29 PolarHBondContact O-N 3.25Å; N26-G29 VanDerWaalsContact O-N 3.09Å; N26-G29 PolarHBondContact OD1-N 2.91Å; N26-G29 VanDerWaalsContact OD1-N 3.1Å |
| 30 | E | 74.6 | Confident | 65.5 | Low | 121 Ų | 121 | 73.7 Ų | 73.7 | 57% | 0.565 | 42% | 0.422 | S | S | * | . | trans | -100.3 | 148.6 | -176.4 | -53.2 | 167.7 | 148.7 | 0 | 0 | 111.6 | V25 N26 H28 S32 | V25-E30 CarbonylContact C-O 3.55Å; V25-E30 WeakPolarHBondContact CA-O 3.16Å; N26-E30 PolarHBondContact N-O 3.27Å; N26-E30 PolarHBondContact ND2-OE2 2.91Å; N26-E30 VanDerWaalsContact ND2-OE2 3.11Å; N26-E30 PolarHBondContact OD1-N 2.99Å; N26-E30 PolarHBondContact OD1-O 3.13Å; H28-E30 HydrophobicContact CB-CG 4.4Å; E30-S32 PolarHBondContact O-N 2.97Å | ||
| 31 | R | 75 | Confident | 65.4 | Low | 119 Ų | 119 | 71 Ų | 71 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.7 | 174.7 | -169.8 | 172.7 | 178.6 | 162.9 | -1.8 | 109.8 | E17 L19 E23 | E17-R31 IonicContact OE2-CZ 2.71Å; E17-R31 IonicContact OE2-NH1 3.62Å; E17-R31 PolarHBondContact OE2-NH1 3.31Å; L19-R31 HydrophobicContact CD2-CG 4.28Å; E23-R31 VanDerWaalsContact CD-NE 3.27Å; E23-R31 IonicContact OE1-CZ 3.05Å; E23-R31 IonicContact OE1-NE 3.54Å; E23-R31 PolarHBondContact OE1-NE 3.16Å; E23-R31 IonicContact OE1-NH2 3.31Å; E23-R31 PolarHBondContact OE1-NH2 2.88Å; E23-R31 VanDerWaalsContact OE1-NH2 3.1Å; E23-R31 IonicContact OE2-CZ 2.89Å; E23-R31 IonicContact OE2-NE 2.86Å; E23-R31 PolarHBondContact OE2-NE 3.2Å; E23-R31 IonicContact OE2-NH2 3.33Å; E23-R31 PolarHBondContact OE2-NH2 2.79Å |
| 32 | S | 71.9 | Confident | 65.4 | Low | 29 Ų | 29 | 76.7 Ų | 76.7 | 20% | 0.203 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 164.4 | -177.7 | -168 | 0 | 0 | 0 | 0 | 110.5 | E23 Y24 E30 | E23-S32 CarbonylContact C-O 3.56Å; E23-S32 VanDerWaalsContact CA-O 3.31Å; E23-S32 WeakPolarHBondContact CA-O 3.46Å; Y24-S32 PolarHBondContact N-O 3.34Å; Y24-S32 PolarHBondContact O-N 3.17Å; E30-S32 PolarHBondContact O-N 2.97Å |
| 33 | H | 73.3 | Confident | 65.4 | Low | 89 Ų | 89 | 78.4 Ų | 78.4 | 41% | 0.412 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 145.7 | -174 | -171.2 | -95.4 | 0 | 0 | 0 | 111.1 | C22 A35 A36 | C22-H33 WeakPolarHBondContact CB-NE2 3.47Å; C22-H33 WeakPolarHBondContact O-CA 3.27Å; C22-H33 PolarHBondContact O-CD2 2.81Å; C22-H33 VanDerWaalsContact O-CD2 3.31Å; H33-A35 WeakPolarHBondContact ND1-CB 3.33Å; H33-A35 PolarHBondContact ND1-N 3.43Å; H33-A35 VanDerWaalsContact ND1-N 3.16Å; H33-A35 PolarHBondContact O-N 3.12Å; H33-A36 VanDerWaalsContact O-CB 3.28Å; H33-A36 WeakPolarHBondContact O-CB 3.34Å; H33-A36 PolarHBondContact O-N 3.4Å |
| 34 | V | 66.1 | Low | 64.9 | Low | 32 Ų | 32 | 79.6 Ų | 79.6 | 19% | 0.194 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -56.9 | -35.7 | -178.2 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | C22 Y24 A36 C37 R74 A82 | C22-V34 WeakPolarHBondContact O-CG2 3.21Å; C22-V34 PolarHBondContact O-N 2.99Å; Y24-V34 HydrophobicContact CD1-CG2 4.46Å; V34-A36 PolarHBondContact O-N 2.89Å; V34-C37 WeakPolarHBondContact O-CB 3.42Å; V34-C37 PolarHBondContact O-N 2.91Å; V34-R74 WeakPolarHBondContact CG1-O 3.27Å; V34-R74 HydrophobicContact CG2-CB 4.07Å; V34-A82 HydrophobicContact CG2-CB 3.24Å |
| 35 | A | 62 | Low | 64.7 | Low | 72 Ų | 72 | 83.9 Ų | 83.9 | 60% | 0.595 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -70.3 | -12.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H33 C37 | H33-A35 WeakPolarHBondContact ND1-CB 3.33Å; H33-A35 PolarHBondContact ND1-N 3.43Å; H33-A35 VanDerWaalsContact ND1-N 3.16Å; H33-A35 PolarHBondContact O-N 3.12Å; A35-C37 PolarHBondContact O-N 3.11Å |
| 36 | A | 61.9 | Low | 64.4 | Low | 33 Ų | 33 | 83.5 Ų | 83.5 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -74.8 | 1.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H33 V34 C38 C39 R72 | H33-A36 VanDerWaalsContact O-CB 3.28Å; H33-A36 WeakPolarHBondContact O-CB 3.34Å; H33-A36 PolarHBondContact O-N 3.4Å; V34-A36 PolarHBondContact O-N 2.89Å; A36-C38 PolarHBondContact O-N 3.1Å; A36-C38 VanDerWaalsContact O-N 3.13Å; A36-C39 PolarHBondContact O-N 3.09Å; A36-R72 PolarHBondContact O-NH1 3.38Å |
| 37 | C | 53.7 | Low | 64.1 | Low | 46 Ų | 46 | 82.6 Ų | 82.6 | 31% | 0.311 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -54.1 | -29.6 | 176.6 | -169.1 | 0 | 0 | 0 | 0 | 112.9 | V34 A35 R72 | V34-C37 WeakPolarHBondContact O-CB 3.42Å; V34-C37 PolarHBondContact O-N 2.91Å; A35-C37 PolarHBondContact O-N 3.11Å; C37-R72 HydrophobicContact CB-CB 4.39Å |
| 38 | C | 51.6 | Low | 64.3 | Low | 123 Ų | 123 | 78.6 Ų | 78.6 | 83% | 0.831 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -103 | 7.4 | -176.2 | -55.5 | 0 | 0 | 0 | 0 | 115 | A36 | A36-C38 PolarHBondContact O-N 3.1Å; A36-C38 VanDerWaalsContact O-N 3.13Å |
| 39 | C | 51.3 | Low | 64.6 | Low | 83 Ų | 83 | 75.9 Ų | 75.9 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -114.1 | 132.2 | 178.1 | -65.9 | 0 | 0 | 0 | 0 | 111 | A36 R72 | A36-C39 PolarHBondContact O-N 3.09Å; C39-R72 PolarHBondContact O-NH1 3.2Å |
| 40 | D | 51.3 | Low | 64.9 | Low | 153 Ų | 153 | 75.1 Ų | 75.1 | 82% | 0.818 | 42% | 0.418 | S | S | * | . | trans | 53.5 | 80.2 | 177.2 | -68.2 | -24 | 0 | 0 | 0 | 115.4 | R72 | D40-R72 PolarHBondContact O-NH2 3.5Š| ||
| 41 | C | 61.1 | Low | 65.1 | Low | 17 Ų | 17 | 76.8 Ų | 76.8 | 12% | 0.115 | 42% | 0.424 | C | S | . | . | trans | -134.7 | 77.1 | 169.2 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | D43 L44 D45 V68 | C41-D43 PolarHBondContact O-N 2.83Å; C41-L44 HydrophobicContact CB-CB 3.92Å; C41-L44 PolarHBondContact O-N 3.47Å; C41-L44 WeakPolarHBondContact SG-CB 3.31Å; C41-D45 PolarHBondContact O-N 2.87Å; C41-V68 VanDerWaalsContact SG-CG1 3.5Å | ||
| 42 | E | 63 | Low | 65.3 | Low | 171 Ų | 171 | 77.6 Ų | 77.6 | 80% | 0.799 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -48.7 | -35.4 | 175.5 | -65.7 | -178.8 | 165.6 | 0 | 0 | 112.8 | D46 | E42-D46 WeakPolarHBondContact O-CB 3.36Å; E42-D46 PolarHBondContact O-N 2.89Å |
| 43 | D | 61.4 | Low | 65.8 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.2 | -35.6 | 177.8 | -68.5 | -37.5 | 0 | 0 | 0 | 113.7 | C41 A47 V65 | C41-D43 PolarHBondContact O-N 2.83Å; D43-A47 WeakPolarHBondContact O-CB 3.44Å; D43-A47 PolarHBondContact O-N 2.86Å; D43-A47 VanDerWaalsContact O-N 3.17Å; D43-V65 WeakPolarHBondContact O-CG2 3.38Å |
| 44 | L | 62.3 | Low | 65.9 | Low | 65 Ų | 65 | 89.1 Ų | 89.1 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -77.2 | -38.4 | 178.2 | -177.7 | 67.5 | 0 | 0 | 0 | 109.5 | C41 A47 C48 V65 | C41-L44 HydrophobicContact CB-CB 3.92Å; C41-L44 PolarHBondContact O-N 3.47Å; C41-L44 WeakPolarHBondContact SG-CB 3.31Å; L44-A47 PolarHBondContact O-N 2.92Å; L44-C48 VanDerWaalsContact O-CB 3.32Å; L44-C48 WeakPolarHBondContact O-CB 3.31Å; L44-C48 PolarHBondContact O-N 2.81Å; L44-C48 PolarHBondContact O-SG 2.94Å; L44-V65 HydrophobicContact CD1-CG1 3.87Å |
| 45 | D | 68.8 | Low | 66.5 | Low | 100 Ų | 100 | 92 Ų | 92 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 174.2 | -66 | -24.7 | 0 | 0 | 0 | 110.7 | C41 A47 C48 D49 | C41-D45 PolarHBondContact O-N 2.87Å; D45-A47 PolarHBondContact O-N 2.77Å; D45-C48 PolarHBondContact O-N 2.93Å; D45-D49 VanDerWaalsContact O-CB 3.27Å; D45-D49 WeakPolarHBondContact O-CB 3.07Å; D45-D49 PolarHBondContact O-N 3.41Å |
| 46 | D | 68.8 | Low | 66.8 | Low | 67 Ų | 67 | 93.9 Ų | 93.9 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 175.3 | -172.6 | 58.2 | 0 | 0 | 0 | 112 | E42 D49 R50 | E42-D46 WeakPolarHBondContact O-CB 3.36Å; E42-D46 PolarHBondContact O-N 2.89Å; D46-D49 PolarHBondContact O-N 3.07Å; D46-R50 WeakPolarHBondContact O-CB 3.28Å; D46-R50 VanDerWaalsContact O-CG 3.28Å; D46-R50 WeakPolarHBondContact O-CG 3.24Å; D46-R50 PolarHBondContact O-N 3.33Å; D46-R50 IonicContact OD1-CZ 3.52Å; D46-R50 IonicContact OD1-NE 3.93Å; D46-R50 IonicContact OD1-NH2 3.26Å; D46-R50 IonicContact OD2-CZ 3.5Å; D46-R50 IonicContact OD2-NE 2.99Å; D46-R50 PolarHBondContact OD2-NE 3.1Å; D46-R50 IonicContact OD2-NH2 3.96Å; D46-R50 PolarHBondContact OD2-NH2 3.14Å |
| 47 | A | 65.1 | Low | 67.1 | Low | 10 Ų | 10 | 95.1 Ų | 95.1 | 8% | 0.083 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D43 L44 D45 F51 Q57 V65 | D43-A47 WeakPolarHBondContact O-CB 3.44Å; D43-A47 PolarHBondContact O-N 2.86Å; D43-A47 VanDerWaalsContact O-N 3.17Å; L44-A47 PolarHBondContact O-N 2.92Å; D45-A47 PolarHBondContact O-N 2.77Å; A47-F51 WeakPolarHBondContact O-CB 3.49Å; A47-F51 PolarHBondContact O-N 3.39Å; A47-Q57 PolarHBondContact O-NE2 3.32Å; A47-V65 HydrophobicContact CB-CG2 3.7Å |
| 48 | C | 68.1 | Low | 67.9 | Low | 63 Ų | 63 | 98.6 Ų | 98.6 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 173.5 | -82.6 | 0 | 0 | 0 | 0 | 111.6 | L44 D45 F51 L52 | L44-C48 VanDerWaalsContact O-CB 3.32Å; L44-C48 WeakPolarHBondContact O-CB 3.31Å; L44-C48 PolarHBondContact O-N 2.81Å; L44-C48 PolarHBondContact O-SG 2.94Å; D45-C48 PolarHBondContact O-N 2.93Å; C48-F51 WeakPolarHBondContact O-CB 3.33Å; C48-F51 PolarHBondContact O-N 2.65Å; C48-L52 WeakPolarHBondContact O-CG 3.4Å; C48-L52 PolarHBondContact O-N 3.29Å |
| 49 | D | 75.8 | Confident | 68.2 | Low | 72 Ų | 72 | 98 Ų | 98 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 177.4 | -105.4 | 27.1 | 0 | 0 | 0 | 112 | D45 D46 F51 L52 K53 | D45-D49 VanDerWaalsContact O-CB 3.27Å; D45-D49 WeakPolarHBondContact O-CB 3.07Å; D45-D49 PolarHBondContact O-N 3.41Å; D46-D49 PolarHBondContact O-N 3.07Å; D49-F51 VanDerWaalsContact C-N 3.3Å; D49-F51 PolarHBondContact O-N 3.22Å; D49-L52 PolarHBondContact O-N 3.22Å; D49-K53 VanDerWaalsContact O-CB 3.28Å; D49-K53 WeakPolarHBondContact O-CB 3.39Å; D49-K53 WeakPolarHBondContact O-CD 3.09Å; D49-K53 WeakPolarHBondContact O-CG 3.46Å; D49-K53 PolarHBondContact O-N 2.67Å; D49-K53 IonicContact OD2-NZ 2.8Å; D49-K53 PolarHBondContact OD2-NZ 2.91Å |
| 50 | R | 75.6 | Confident | 68.4 | Low | 42 Ų | 42 | 101.1 Ų | 101.1 | 16% | 0.158 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 174.6 | -74 | 175 | -169 | -71.9 | -15 | 111.9 | D46 K53 R54 E55 Q57 | D46-R50 WeakPolarHBondContact O-CB 3.28Å; D46-R50 VanDerWaalsContact O-CG 3.28Å; D46-R50 WeakPolarHBondContact O-CG 3.24Å; D46-R50 PolarHBondContact O-N 3.33Å; D46-R50 IonicContact OD1-CZ 3.52Å; D46-R50 IonicContact OD1-NE 3.93Å; D46-R50 IonicContact OD1-NH2 3.26Å; D46-R50 IonicContact OD2-CZ 3.5Å; D46-R50 IonicContact OD2-NE 2.99Å; D46-R50 PolarHBondContact OD2-NE 3.1Å; D46-R50 IonicContact OD2-NH2 3.96Å; D46-R50 PolarHBondContact OD2-NH2 3.14Å; R50-K53 CarbonylContact O-C 3.35Å; R50-K53 PolarHBondContact O-N 2.91Å; R50-R54 PolarHBondContact O-N 3.22Å; R50-E55 HydrophobicContact CB-CB 4.21Å; R50-E55 HydrophobicContact CG-CB 4.35Å; R50-E55 IonicContact NH1-OE2 3.92Å; R50-E55 PolarHBondContact NH1-OE2 2.9Å; R50-E55 PolarHBondContact O-N 3.15Å; R50-Q57 VanDerWaalsContact CB-NE2 3.31Å |
| 51 | F | 78.6 | Confident | 68.7 | Low | 157 Ų | 157 | 94.7 Ų | 94.7 | 69% | 0.689 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 176.3 | 178.8 | -99.7 | 0 | 0 | 0 | 111.5 | A47 C48 D49 K53 R54 | A47-F51 WeakPolarHBondContact O-CB 3.49Å; A47-F51 PolarHBondContact O-N 3.39Å; C48-F51 WeakPolarHBondContact O-CB 3.33Å; C48-F51 PolarHBondContact O-N 2.65Å; D49-F51 VanDerWaalsContact C-N 3.3Å; D49-F51 PolarHBondContact O-N 3.22Å; F51-K53 VanDerWaalsContact C-N 3.34Å; F51-K53 PolarHBondContact O-N 3.1Å; F51-R54 PolarHBondContact O-N 2.8Å |
| 52 | L | 79.3 | Confident | 68.5 | Low | 135 Ų | 135 | 98.2 Ų | 98.2 | 71% | 0.707 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.3 | -36.5 | 176.6 | -70.8 | 171.8 | 0 | 0 | 0 | 112.2 | C48 D49 R54 | C48-L52 WeakPolarHBondContact O-CG 3.4Å; C48-L52 PolarHBondContact O-N 3.29Å; D49-L52 PolarHBondContact O-N 3.22Å; L52-R54 VanDerWaalsContact C-N 3.26Å; L52-R54 PolarHBondContact O-N 3.36Å |
| 53 | K | 83.2 | Confident | 68.2 | Low | 127 Ų | 127 | 93.2 Ų | 93.2 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.5 | 176.6 | -67.2 | 166.1 | -176.7 | 157.8 | 0 | 113.7 | D49 R50 F51 E55 | D49-K53 VanDerWaalsContact O-CB 3.28Å; D49-K53 WeakPolarHBondContact O-CB 3.39Å; D49-K53 WeakPolarHBondContact O-CD 3.09Å; D49-K53 WeakPolarHBondContact O-CG 3.46Å; D49-K53 PolarHBondContact O-N 2.67Å; D49-K53 IonicContact OD2-NZ 2.8Å; D49-K53 PolarHBondContact OD2-NZ 2.91Å; R50-K53 CarbonylContact O-C 3.35Å; R50-K53 PolarHBondContact O-N 2.91Å; F51-K53 VanDerWaalsContact C-N 3.34Å; F51-K53 PolarHBondContact O-N 3.1Å; K53-E55 HydrophobicContact CB-CG 4.07Å; K53-E55 PolarHBondContact O-N 2.93Å |
| 54 | R | 75 | Confident | 68 | Low | 233 Ų | 233 | 94.9 Ų | 94.9 | 88% | 0.879 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 32.1 | -174.9 | -62.1 | -176.9 | 175.1 | 177.9 | -0.7 | 113.9 | R50 F51 L52 | R50-R54 PolarHBondContact O-N 3.22Å; F51-R54 PolarHBondContact O-N 2.8Å; L52-R54 VanDerWaalsContact C-N 3.26Å; L52-R54 PolarHBondContact O-N 3.36Å |
| 55 | E | 79.7 | Confident | 67.9 | Low | 92 Ų | 92 | 92.7 Ų | 92.7 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 147.8 | 176 | -68.8 | -176.7 | -174 | 0 | 0 | 111.4 | R50 K53 Q57 | R50-E55 HydrophobicContact CB-CB 4.21Å; R50-E55 HydrophobicContact CG-CB 4.35Å; R50-E55 IonicContact NH1-OE2 3.92Å; R50-E55 PolarHBondContact NH1-OE2 2.9Å; R50-E55 PolarHBondContact O-N 3.15Å; K53-E55 HydrophobicContact CB-CG 4.07Å; K53-E55 PolarHBondContact O-N 2.93Å; E55-Q57 PolarHBondContact O-N 3.49Å |
| 56 | P | 67.8 | Low | 67.5 | Low | 113 Ų | 113 | 90.5 Ų | 90.5 | 73% | 0.734 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 130.2 | 174.8 | 24.5 | -31.2 | 0 | 0 | 0 | 111 | ||
| 57 | Q | 68.4 | Low | 67 | Low | 58 Ų | 58 | 89.8 Ų | 89.8 | 27% | 0.271 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 137.2 | 179.9 | -67.3 | -67.6 | -18.6 | 0 | 0 | 111.1 | A47 R50 E55 L62 | A47-Q57 PolarHBondContact O-NE2 3.32Å; R50-Q57 VanDerWaalsContact CB-NE2 3.31Å; E55-Q57 PolarHBondContact O-N 3.49Å; Q57-L62 HydrophobicContact CB-CD1 3.91Å; Q57-L62 HydrophobicContact CB-CD2 4.43Å; Q57-L62 HydrophobicContact CB-CG 4.07Å; Q57-L62 HydrophobicContact CG-CD2 4.47Å |
| 58 | K | 69.8 | Low | 66.9 | Low | 119 Ų | 119 | 89.6 Ų | 89.6 | 52% | 0.517 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 131.5 | 172.2 | -66.5 | 178.9 | -177.2 | 174.1 | 0 | 109 | E60 S61 L62 | K58-E60 PolarHBondContact O-N 3.42Å; K58-S61 WeakPolarHBondContact O-CB 3.33Å; K58-S61 PolarHBondContact O-N 3.13Å; K58-L62 PolarHBondContact O-N 2.88Å; K58-L62 VanDerWaalsContact O-N 3.14Å |
| 59 | P | 57.4 | Low | 66.6 | Low | 110 Ų | 110 | 88.6 Ų | 88.6 | 71% | 0.714 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.5 | -29.7 | -179.8 | 20.8 | -30.1 | 0 | 0 | 0 | 112.9 | S63 | P59-S63 PolarHBondContact O-N 2.91Å |
| 60 | E | 56.9 | Low | 65.7 | Low | 150 Ų | 150 | 87.1 Ų | 87.1 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.9 | -44.3 | 172.9 | -64.7 | -176.3 | 170.8 | 0 | 0 | 111.6 | K58 L62 S63 H64 | K58-E60 PolarHBondContact O-N 3.42Å; E60-L62 PolarHBondContact O-N 2.63Å; E60-S63 PolarHBondContact O-N 3.49Å; E60-S63 VanDerWaalsContact O-N 3.1Å; E60-S63 PolarHBondContact O-OG 2.92Å; E60-H64 PolarHBondContact O-CD2 3.45Å; E60-H64 PolarHBondContact O-N 2.92Å |
| 61 | S | 56.3 | Low | 65 | Low | 17 Ų | 17 | 86 Ų | 86 | 12% | 0.119 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 176.6 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | K58 S63 H64 V65 | K58-S61 WeakPolarHBondContact O-CB 3.33Å; K58-S61 PolarHBondContact O-N 3.13Å; S61-S63 VanDerWaalsContact C-N 3.3Å; S61-S63 PolarHBondContact O-N 3.46Å; S61-H64 PolarHBondContact O-N 3.44Å; S61-V65 WeakPolarHBondContact O-CB 3.45Å; S61-V65 VanDerWaalsContact O-CG2 3.27Å; S61-V65 WeakPolarHBondContact O-CG2 3.15Å; S61-V65 PolarHBondContact O-N 3Å |
| 62 | L | 58.3 | Low | 64.2 | Low | 91 Ų | 91 | 80.9 Ų | 80.9 | 48% | 0.476 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 176.3 | -71.8 | 174.2 | 0 | 0 | 0 | 113.2 | Q57 K58 E60 A66 | Q57-L62 HydrophobicContact CB-CD1 3.91Å; Q57-L62 HydrophobicContact CB-CD2 4.43Å; Q57-L62 HydrophobicContact CB-CG 4.07Å; Q57-L62 HydrophobicContact CG-CD2 4.47Å; K58-L62 PolarHBondContact O-N 2.88Å; K58-L62 VanDerWaalsContact O-N 3.14Å; E60-L62 PolarHBondContact O-N 2.63Å; L62-A66 VanDerWaalsContact O-CB 3.24Å; L62-A66 WeakPolarHBondContact O-CB 3.32Å; L62-A66 PolarHBondContact O-N 2.94Å |
| 63 | S | 56.2 | Low | 63.5 | Low | 67 Ų | 67 | 77.4 Ų | 77.4 | 47% | 0.469 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.8 | -36.1 | 175.9 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | P59 E60 S61 A67 | P59-S63 PolarHBondContact O-N 2.91Å; E60-S63 PolarHBondContact O-N 3.49Å; E60-S63 VanDerWaalsContact O-N 3.1Å; E60-S63 PolarHBondContact O-OG 2.92Å; S61-S63 VanDerWaalsContact C-N 3.3Å; S61-S63 PolarHBondContact O-N 3.46Å; S63-A67 VanDerWaalsContact O-CB 3.28Å; S63-A67 WeakPolarHBondContact O-CB 2.98Å; S63-A67 PolarHBondContact O-N 3.09Å |
| 64 | H | 57.3 | Low | 62.9 | Low | 104 Ų | 104 | 72.5 Ų | 72.5 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.6 | -45.4 | 173.7 | -86.3 | -102.1 | 0 | 0 | 0 | 111.5 | E60 S61 A66 A67 V68 | E60-H64 PolarHBondContact O-CD2 3.45Å; E60-H64 PolarHBondContact O-N 2.92Å; S61-H64 PolarHBondContact O-N 3.44Å; H64-A66 PolarHBondContact O-N 3.32Å; H64-A67 CarbonylContact O-C 3.57Å; H64-A67 WeakPolarHBondContact O-CB 3.44Å; H64-A67 PolarHBondContact O-N 3.22Å; H64-A67 VanDerWaalsContact O-N 3.15Å; H64-V68 VanDerWaalsContact O-CG2 3.27Å; H64-V68 WeakPolarHBondContact O-CG2 3.2Å; H64-V68 PolarHBondContact O-N 2.87Å |
| 65 | V | 60.2 | Low | 62.6 | Low | 20 Ų | 20 | 64.7 Ų | 64.7 | 12% | 0.121 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174 | 172 | 0 | 0 | 0 | 0 | 110.7 | D43 L44 A47 S61 A67 V68 V69 | D43-V65 WeakPolarHBondContact O-CG2 3.38Å; L44-V65 HydrophobicContact CD1-CG1 3.87Å; A47-V65 HydrophobicContact CB-CG2 3.7Å; S61-V65 WeakPolarHBondContact O-CB 3.45Å; S61-V65 VanDerWaalsContact O-CG2 3.27Å; S61-V65 WeakPolarHBondContact O-CG2 3.15Å; S61-V65 PolarHBondContact O-N 3Å; V65-A67 VanDerWaalsContact C-N 3.28Å; V65-A67 PolarHBondContact O-N 3.24Å; V65-V68 PolarHBondContact O-N 2.83Å; V65-V69 HydrophobicContact CG1-CG2 4.11Å; V65-V69 WeakPolarHBondContact O-CB 3.37Å; V65-V69 WeakPolarHBondContact O-CG2 3.09Å; V65-V69 PolarHBondContact O-N 2.87Å |
| 66 | A | 59.3 | Low | 62.1 | Low | 53 Ų | 53 | 63.3 Ų | 63.3 | 44% | 0.438 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L62 H64 S70 | L62-A66 VanDerWaalsContact O-CB 3.24Å; L62-A66 WeakPolarHBondContact O-CB 3.32Å; L62-A66 PolarHBondContact O-N 2.94Å; H64-A66 PolarHBondContact O-N 3.32Å; A66-S70 WeakPolarHBondContact O-CB 3.44Å; A66-S70 PolarHBondContact O-N 2.84Å |
| 67 | A | 59.4 | Low | 62.4 | Low | 53 Ų | 53 | 62.7 Ų | 62.7 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S63 H64 V65 S70 D71 | S63-A67 VanDerWaalsContact O-CB 3.28Å; S63-A67 WeakPolarHBondContact O-CB 2.98Å; S63-A67 PolarHBondContact O-N 3.09Å; H64-A67 CarbonylContact O-C 3.57Å; H64-A67 WeakPolarHBondContact O-CB 3.44Å; H64-A67 PolarHBondContact O-N 3.22Å; H64-A67 VanDerWaalsContact O-N 3.15Å; V65-A67 VanDerWaalsContact C-N 3.28Å; V65-A67 PolarHBondContact O-N 3.24Å; A67-S70 PolarHBondContact O-N 3.35Å; A67-D71 WeakPolarHBondContact O-CB 3.3Å; A67-D71 PolarHBondContact O-N 3.49Å |
| 68 | V | 61.3 | Low | 61.5 | Low | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.036 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.9 | -45.5 | 178.6 | 175.2 | 0 | 0 | 0 | 0 | 111 | C41 H64 V65 S70 D71 R72 | C41-V68 VanDerWaalsContact SG-CG1 3.5Å; H64-V68 VanDerWaalsContact O-CG2 3.27Å; H64-V68 WeakPolarHBondContact O-CG2 3.2Å; H64-V68 PolarHBondContact O-N 2.87Å; V65-V68 PolarHBondContact O-N 2.83Å; V68-S70 VanDerWaalsContact C-N 3.3Å; V68-S70 PolarHBondContact O-N 2.87Å; V68-D71 PolarHBondContact O-N 3.26Å; V68-D71 VanDerWaalsContact O-N 3.12Å; V68-R72 HydrophobicContact CG1-CG 4.37Å; V68-R72 WeakPolarHBondContact O-CB 3.35Å; V68-R72 WeakPolarHBondContact O-CG 3.41Å; V68-R72 PolarHBondContact O-N 3.4Å |
| 69 | V | 62.2 | Low | 61.1 | Low | 41 Ų | 41 | 70.6 Ų | 70.6 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 173.9 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | V65 D71 R72 I73 L87 | V65-V69 HydrophobicContact CG1-CG2 4.11Å; V65-V69 WeakPolarHBondContact O-CB 3.37Å; V65-V69 WeakPolarHBondContact O-CG2 3.09Å; V65-V69 PolarHBondContact O-N 2.87Å; V69-D71 VanDerWaalsContact C-N 3.31Å; V69-D71 PolarHBondContact O-N 2.87Å; V69-R72 PolarHBondContact O-N 3.25Å; V69-I73 HydrophobicContact CG1-CD1 3.46Å; V69-I73 VanDerWaalsContact CG1-CD1 3.46Å; V69-I73 HydrophobicContact CG1-CG1 4.01Å; V69-I73 VanDerWaalsContact O-CG1 3.32Å; V69-I73 WeakPolarHBondContact O-CG1 3.43Å; V69-I73 PolarHBondContact O-N 2.91Å; V69-L87 HydrophobicContact CG1-CD1 4.5Å; V69-L87 HydrophobicContact CG1-CD2 3.95Å |
| 70 | S | 57.9 | Low | 61.3 | Low | 42 Ų | 42 | 67.9 Ų | 67.9 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.8 | -26.1 | 174.8 | -173.2 | 0 | 0 | 0 | 0 | 114.4 | A66 A67 V68 L87 | A66-S70 WeakPolarHBondContact O-CB 3.44Å; A66-S70 PolarHBondContact O-N 2.84Å; A67-S70 PolarHBondContact O-N 3.35Å; V68-S70 VanDerWaalsContact C-N 3.3Å; V68-S70 PolarHBondContact O-N 2.87Å; S70-L87 VanDerWaalsContact CA-CD1 3.43Å |
| 71 | D | 59.6 | Low | 62 | Low | 17 Ų | 17 | 60.8 Ų | 60.8 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -80.2 | -28.4 | 176.3 | -163.9 | 40.3 | 0 | 0 | 0 | 111.9 | A67 V68 V69 R74 K84 | A67-D71 WeakPolarHBondContact O-CB 3.3Å; A67-D71 PolarHBondContact O-N 3.49Å; V68-D71 PolarHBondContact O-N 3.26Å; V68-D71 VanDerWaalsContact O-N 3.12Å; V69-D71 VanDerWaalsContact C-N 3.31Å; V69-D71 PolarHBondContact O-N 2.87Å; D71-R74 PolarHBondContact O-NE 3.04Å; D71-R74 IonicContact OD1-NH2 3.38Å; D71-R74 PolarHBondContact OD1-NH2 2.92Å; D71-K84 WeakPolarHBondContact OD1-CE 3.19Å; D71-K84 IonicContact OD1-NZ 3.77Å; D71-K84 PolarHBondContact OD1-NZ 3.4Å |
| 72 | R | 63 | Low | 62.5 | Low | 51 Ų | 51 | 60.3 Ų | 60.3 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -99.2 | -26 | -173.3 | -66.4 | -173.8 | -178.5 | -128.4 | 13.6 | 114.9 | A36 C37 C39 D40 V68 V69 R74 | A36-R72 PolarHBondContact O-NH1 3.38Å; C37-R72 HydrophobicContact CB-CB 4.39Å; C39-R72 PolarHBondContact O-NH1 3.2Å; D40-R72 PolarHBondContact O-NH2 3.5Å; V68-R72 HydrophobicContact CG1-CG 4.37Å; V68-R72 WeakPolarHBondContact O-CB 3.35Å; V68-R72 WeakPolarHBondContact O-CG 3.41Å; V68-R72 PolarHBondContact O-N 3.4Å; V69-R72 PolarHBondContact O-N 3.25Å; R72-R74 PolarHBondContact O-N 3.3Å; R72-R74 VanDerWaalsContact O-N 3.09Å |
| 73 | I | 64.9 | Low | 63 | Low | 62 Ų | 62 | 63 Ų | 63 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | trans | -74.2 | 103 | 171.8 | -61 | 177.3 | 0 | 0 | 0 | 109 | V69 L85 L87 | V69-I73 HydrophobicContact CG1-CD1 3.46Å; V69-I73 VanDerWaalsContact CG1-CD1 3.46Å; V69-I73 HydrophobicContact CG1-CG1 4.01Å; V69-I73 VanDerWaalsContact O-CG1 3.32Å; V69-I73 WeakPolarHBondContact O-CG1 3.43Å; V69-I73 PolarHBondContact O-N 2.91Å; I73-L85 HydrophobicContact CG2-CB 3.84Å; I73-L85 HydrophobicContact CG2-CD2 3.8Å; I73-L85 HydrophobicContact CG2-CG 4.44Å; I73-L85 PolarHBondContact O-N 3.3Å; I73-L87 HydrophobicContact CD1-CD1 4.17Å; I73-L87 HydrophobicContact CD1-CG 4.45Å | ||
| 74 | R | 70.9 | Confident | 63.5 | Low | 24 Ų | 24 | 65.4 Ų | 65.4 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.9 | 179.4 | -66.5 | 178.2 | -178 | -129.5 | 19.2 | 110.5 | Y24 V25 V34 D71 R72 A82 R83 K84 | Y24-R74 VanDerWaalsContact CB-NH1 3.29Å; Y24-R74 VanDerWaalsContact CD2-NE 3.26Å; Y24-R74 VanDerWaalsContact CE2-NE 3.3Å; Y24-R74 VanDerWaalsContact CE2-NH2 3.29Å; Y24-R74 VanDerWaalsContact CG-CZ 3.45Å; V25-R74 PolarHBondContact O-NH2 2.99Å; V34-R74 WeakPolarHBondContact CG1-O 3.27Å; V34-R74 HydrophobicContact CG2-CB 4.07Å; D71-R74 PolarHBondContact O-NE 3.04Å; D71-R74 IonicContact OD1-NH2 3.38Å; D71-R74 PolarHBondContact OD1-NH2 2.92Å; R72-R74 PolarHBondContact O-N 3.3Å; R72-R74 VanDerWaalsContact O-N 3.09Å; R74-A82 HydrophobicContact CB-CB 3.94Å; R74-R83 CarbonylContact C-O 3.4Å; R74-R83 WeakPolarHBondContact CA-O 3.44Å; R74-R83 WeakPolarHBondContact CB-O 3.45Å; R74-K84 HydrophobicContact CG-CG 4.21Å; R74-K84 VanDerWaalsContact CZ-CE 3.42Å |
| 75 | V | 67.3 | Low | 64 | Low | 69 Ų | 69 | 62.7 Ų | 62.7 | 42% | 0.418 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.2 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | W77 A82 R83 L85 | V75-W77 PolarHBondContact O-N 3.18Å; V75-A82 WeakPolarHBondContact O-CA 3.45Å; V75-R83 PolarHBondContact N-O 3.23Å; V75-R83 PolarHBondContact O-N 3.14Å; V75-L85 HydrophobicContact CG2-CB 4.41Å; V75-L85 HydrophobicContact CG2-CD1 4.16Å; V75-L85 HydrophobicContact CG2-CD2 4.46Å |
| 76 | P | 68.8 | Low | 64.6 | Low | 63 Ų | 63 | 64.2 Ų | 64.2 | 41% | 0.409 | 33% | 0.331 | S | S | . | . | trans | -59.7 | 127.9 | 176.1 | -22.1 | 32 | 0 | 0 | 0 | 111.2 | C21 | C21-P76 HydrophobicContact CB-CB 4.4Å; C21-P76 WeakPolarHBondContact O-CA 3.4Å; C21-P76 WeakPolarHBondContact O-CB 3.32Å | ||
| 77 | W | 74.4 | Confident | 65.3 | Low | 99 Ų | 99 | 64.7 Ų | 64.7 | 38% | 0.375 | 33% | 0.326 | S | S | . | . | trans | -117.3 | 134.5 | 179 | -161.2 | -105.5 | 0 | 0 | 0 | 111.2 | C21 V75 W79 G81 R83 | C21-W77 VanDerWaalsContact CA-O 3.3Å; C21-W77 WeakPolarHBondContact CA-O 3.43Å; C21-W77 WeakPolarHBondContact CB-O 3.11Å; C21-W77 PolarHBondContact O-N 3.39Å; V75-W77 PolarHBondContact O-N 3.18Å; W77-W79 VanDerWaalsContact C-N 3.3Å; W77-W79 PolarHBondContact O-N 3.15Å; W77-G81 WeakPolarHBondContact CB-O 3.18Å; W77-R83 HydrophobicContact CB-CG 4.18Å | ||
| 78 | F | 50 | Low | 66.3 | Low | 146 Ų | 146 | 62.7 Ų | 62.7 | 64% | 0.64 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15.1 | -168 | 50.5 | -70.3 | 0 | 0 | 0 | 113.4 | ||
| 79 | W | 62 | Low | 67.4 | Low | 197 Ų | 197 | 64.1 Ų | 64.1 | 75% | 0.746 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | 79.6 | 173.5 | -50.8 | 85.3 | 0 | 0 | 0 | 110.8 | W77 | W77-W79 VanDerWaalsContact C-N 3.3Å; W77-W79 PolarHBondContact O-N 3.15Å |
| 80 | G | 60.8 | Low | 68.2 | Low | 53 Ų | 53 | 65.2 Ų | 65.2 | 55% | 0.546 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.7 | 45.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 81 | G | 71.4 | Confident | 69.4 | Low | 2 Ų | 2 | 65.5 Ų | 65.5 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 79.6 | 171.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | C20 C21 E23 W77 R83 | C20-G81 WeakPolarHBondContact O-CA 3.39Å; C21-G81 CarbonylContact O-C 3.52Å; E23-G81 CarbonylContact O-C 3.56Å; E23-G81 WeakPolarHBondContact O-CA 3.48Å; W77-G81 WeakPolarHBondContact CB-O 3.18Å; G81-R83 PolarHBondContact O-N 2.77Å |
| 82 | A | 67.4 | Low | 70.6 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 124.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | C21 E23 Y24 V34 R74 V75 | C21-A82 WeakPolarHBondContact O-CA 3.32Å; C21-A82 PolarHBondContact O-N 3.14Å; E23-A82 PolarHBondContact O-N 3.47Å; Y24-A82 HydrophobicContact CD1-CB 4.3Å; V34-A82 HydrophobicContact CG2-CB 3.24Å; R74-A82 HydrophobicContact CB-CB 3.94Å; V75-A82 WeakPolarHBondContact O-CA 3.45Å |
| 83 | R | 67.7 | Low | 71.7 | Confident | 148 Ų | 148 | 65.9 Ų | 65.9 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 136.5 | -176.8 | -68.2 | -169.6 | 174.5 | -164.8 | -0.2 | 111.8 | R74 V75 W77 G81 L85 | R74-R83 CarbonylContact C-O 3.4Å; R74-R83 WeakPolarHBondContact CA-O 3.44Å; R74-R83 WeakPolarHBondContact CB-O 3.45Å; V75-R83 PolarHBondContact N-O 3.23Å; V75-R83 PolarHBondContact O-N 3.14Å; W77-R83 HydrophobicContact CB-CG 4.18Å; G81-R83 PolarHBondContact O-N 2.77Å; R83-L85 PolarHBondContact O-N 3.34Å |
| 84 | K | 67.2 | Low | 72.7 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 125.6 | 172.3 | -69.2 | -175.4 | 176.4 | -170.7 | 0 | 110.6 | D71 R74 | D71-K84 WeakPolarHBondContact OD1-CE 3.19Å; D71-K84 IonicContact OD1-NZ 3.77Å; D71-K84 PolarHBondContact OD1-NZ 3.4Å; R74-K84 HydrophobicContact CG-CG 4.21Å; R74-K84 VanDerWaalsContact CZ-CE 3.42Å |
| 85 | L | 68.9 | Low | 73.5 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 116.6 | 170.3 | -168.7 | 69.5 | 0 | 0 | 0 | 108 | I73 V75 R83 L87 I89 V90 | I73-L85 HydrophobicContact CG2-CB 3.84Å; I73-L85 HydrophobicContact CG2-CD2 3.8Å; I73-L85 HydrophobicContact CG2-CG 4.44Å; I73-L85 PolarHBondContact O-N 3.3Å; V75-L85 HydrophobicContact CG2-CB 4.41Å; V75-L85 HydrophobicContact CG2-CD1 4.16Å; V75-L85 HydrophobicContact CG2-CD2 4.46Å; R83-L85 PolarHBondContact O-N 3.34Å; L85-L87 PolarHBondContact O-N 3.3Å; L85-I89 HydrophobicContact CD1-CD1 4.29Å; L85-V90 HydrophobicContact CD2-CG2 4.08Å |
| 86 | D | 72.3 | Confident | 74.6 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | trans | -66.8 | 115.3 | 169.7 | -176.6 | -24.9 | 0 | 0 | 0 | 108.1 | S88 I89 L136 | D86-S88 PolarHBondContact O-N 2.7Å; D86-S88 WeakPolarHBondContact OD1-CB 3.26Å; D86-S88 PolarHBondContact OD1-N 3.18Å; D86-S88 PolarHBondContact OD1-OG 3.4Å; D86-S88 PolarHBondContact OD2-OG 3.27Å; D86-I89 HydrophobicContact CB-CD1 4.07Å; D86-I89 HydrophobicContact CB-CG1 4.26Å; D86-I89 VanDerWaalsContact O-CB 3.32Å; D86-I89 WeakPolarHBondContact O-CB 3.15Å; D86-I89 WeakPolarHBondContact O-CG1 3.25Å; D86-I89 PolarHBondContact O-N 3.48Å; D86-L136 HydrophobicContact CB-CD1 3.91Å | ||
| 87 | L | 74.8 | Confident | 75.7 | Confident | 62 Ų | 62 | 65.9 Ų | 65.9 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -56.4 | -21.5 | -178.6 | -90 | 74.5 | 0 | 0 | 0 | 112.6 | V69 S70 I73 L85 I89 V90 P91 | V69-L87 HydrophobicContact CG1-CD1 4.5Å; V69-L87 HydrophobicContact CG1-CD2 3.95Å; S70-L87 VanDerWaalsContact CA-CD1 3.43Å; I73-L87 HydrophobicContact CD1-CD1 4.17Å; I73-L87 HydrophobicContact CD1-CG 4.45Å; L85-L87 PolarHBondContact O-N 3.3Å; L87-I89 PolarHBondContact O-N 3.02Å; L87-V90 PolarHBondContact O-N 2.89Å; L87-V90 VanDerWaalsContact O-N 3.15Å; L87-P91 WeakPolarHBondContact O-CD 3.34Å |
| 88 | S | 80.4 | Confident | 76.6 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -65.1 | -14.9 | 175.7 | 73.5 | 0 | 0 | 0 | 0 | 113.6 | D86 P92 L136 F137 | D86-S88 PolarHBondContact O-N 2.7Å; D86-S88 WeakPolarHBondContact OD1-CB 3.26Å; D86-S88 PolarHBondContact OD1-N 3.18Å; D86-S88 PolarHBondContact OD1-OG 3.4Å; D86-S88 PolarHBondContact OD2-OG 3.27Å; S88-P92 WeakPolarHBondContact O-CD 3.24Å; S88-L136 PolarHBondContact OG-N 3.4Å; S88-F137 WeakPolarHBondContact O-CA 3.18Å; S88-F137 WeakPolarHBondContact O-CB 3.32Å; S88-F137 WeakPolarHBondContact O-CD2 3.33Å; S88-F137 PolarHBondContact OG-N 3.41Å |
| 89 | I | 82.7 | Confident | 78.7 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 19% | 0.185 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -77.3 | -30.8 | 174.7 | -60.3 | 170.5 | 0 | 0 | 0 | 111.6 | L85 D86 L87 P92 L93 L136 | L85-I89 HydrophobicContact CD1-CD1 4.29Å; D86-I89 HydrophobicContact CB-CD1 4.07Å; D86-I89 HydrophobicContact CB-CG1 4.26Å; D86-I89 VanDerWaalsContact O-CB 3.32Å; D86-I89 WeakPolarHBondContact O-CB 3.15Å; D86-I89 WeakPolarHBondContact O-CG1 3.25Å; D86-I89 PolarHBondContact O-N 3.48Å; L87-I89 PolarHBondContact O-N 3.02Å; I89-P92 VanDerWaalsContact O-CD 3.31Å; I89-P92 WeakPolarHBondContact O-CD 3.41Å; I89-L93 HydrophobicContact CG2-CD1 3.8Å; I89-L93 HydrophobicContact CG2-CD2 4.18Å; I89-L93 VanDerWaalsContact O-CD1 3.3Å; I89-L93 WeakPolarHBondContact O-CD1 3.03Å; I89-L136 HydrophobicContact CD1-CB 4.28Å; I89-L136 HydrophobicContact CD1-CD1 4.01Å; I89-L136 HydrophobicContact CG1-CB 3.85Å; I89-L136 HydrophobicContact CG1-CD1 4.48Å |
| 90 | V | 80.3 | Confident | 80.3 | Confident | 63 Ų | 63 | 49.2 Ų | 49.2 | 38% | 0.382 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | -171.9 | 179.1 | 0 | 0 | 0 | 0 | 113 | L85 L87 L93 V94 | L85-V90 HydrophobicContact CD2-CG2 4.08Å; L87-V90 PolarHBondContact O-N 2.89Å; L87-V90 VanDerWaalsContact O-N 3.15Å; V90-L93 PolarHBondContact O-N 3.26Å; V90-L93 VanDerWaalsContact O-N 3.14Å; V90-V94 HydrophobicContact CG1-CG2 4.2Å; V90-V94 PolarHBondContact O-N 3.44Å; V90-V94 VanDerWaalsContact O-N 3.14Å |
| 91 | P | 82.7 | Confident | 82 | Confident | 49 Ų | 49 | 49.9 Ų | 49.9 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | -177 | -19.1 | 28.2 | 0 | 0 | 0 | 113.1 | L87 L93 V94 L95 F137 | L87-P91 WeakPolarHBondContact O-CD 3.34Å; P91-L93 VanDerWaalsContact C-N 3.29Å; P91-L93 PolarHBondContact O-N 2.9Å; P91-V94 PolarHBondContact O-N 2.95Å; P91-L95 WeakPolarHBondContact O-CA 3.41Å; P91-L95 WeakPolarHBondContact O-CB 3.46Å; P91-L95 PolarHBondContact O-N 3.36Å; P91-F137 HydrophobicContact CB-CE2 4.21Å |
| 92 | P | 83.8 | Confident | 83.1 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.8 | -38.9 | 174.5 | -28.7 | 36.1 | 0 | 0 | 0 | 114.6 | S88 I89 L96 F137 L141 | S88-P92 WeakPolarHBondContact O-CD 3.24Å; I89-P92 VanDerWaalsContact O-CD 3.31Å; I89-P92 WeakPolarHBondContact O-CD 3.41Å; P92-L96 WeakPolarHBondContact O-CB 3.46Å; P92-F137 VanDerWaalsContact CD-CD2 3.46Å; P92-F137 HydrophobicContact CG-CD2 3.35Å; P92-F137 HydrophobicContact CG-CE2 3.42Å; P92-F137 VanDerWaalsContact CG-CE2 3.42Å; P92-F137 HydrophobicContact CG-CG 3.99Å; P92-F137 HydrophobicContact CG-CZ 4.1Å; P92-L141 HydrophobicContact CB-CB 3.87Å; P92-L141 HydrophobicContact CB-CD1 3.93Å; P92-L141 HydrophobicContact CG-CB 4.01Å |
| 93 | L | 86.3 | Confident | 84.5 | Confident | 73 Ų | 73 | 53 Ų | 53 | 38% | 0.382 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.2 | -31.7 | -176.8 | -93.2 | 63.5 | 0 | 0 | 0 | 113 | I89 V90 P91 P97 F144 | I89-L93 HydrophobicContact CG2-CD1 3.8Å; I89-L93 HydrophobicContact CG2-CD2 4.18Å; I89-L93 VanDerWaalsContact O-CD1 3.3Å; I89-L93 WeakPolarHBondContact O-CD1 3.03Å; V90-L93 PolarHBondContact O-N 3.26Å; V90-L93 VanDerWaalsContact O-N 3.14Å; P91-L93 VanDerWaalsContact C-N 3.29Å; P91-L93 PolarHBondContact O-N 2.9Å; L93-P97 WeakPolarHBondContact O-CD 3.3Å; L93-P97 WeakPolarHBondContact O-CG 3.45Å; L93-F144 HydrophobicContact CD1-CB 4.09Å; L93-F144 HydrophobicContact CD1-CD2 3.97Å; L93-F144 HydrophobicContact CD1-CG 4.12Å; L93-F144 HydrophobicContact CG-CD2 3.74Å; L93-F144 HydrophobicContact CG-CE2 4.09Å; L93-F144 HydrophobicContact CG-CG 4.29Å |
| 94 | V | 87.4 | Confident | 85.9 | Confident | 94 Ų | 94 | 46.1 Ų | 46.1 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -102.6 | -47.6 | -176 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | V90 P91 P97 A98 | V90-V94 HydrophobicContact CG1-CG2 4.2Å; V90-V94 PolarHBondContact O-N 3.44Å; V90-V94 VanDerWaalsContact O-N 3.14Å; P91-V94 PolarHBondContact O-N 2.95Å; V94-P97 WeakPolarHBondContact O-CD 3.36Å; V94-P97 WeakPolarHBondContact O-CG 3.23Å; V94-A98 VanDerWaalsContact O-CB 3.23Å; V94-A98 WeakPolarHBondContact O-CB 3.37Å; V94-A98 PolarHBondContact O-N 3.24Å |
| 95 | L | 87.1 | Confident | 87.2 | Confident | 94 Ų | 94 | 47.1 Ų | 47.1 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.8 | -40.1 | -172.5 | -172.5 | 62.7 | 0 | 0 | 0 | 111.7 | P91 A98 L99 | P91-L95 WeakPolarHBondContact O-CA 3.41Å; P91-L95 WeakPolarHBondContact O-CB 3.46Å; P91-L95 PolarHBondContact O-N 3.36Å; L95-A98 PolarHBondContact O-N 2.97Å; L95-L99 HydrophobicContact CD1-CD1 4.04Å; L95-L99 HydrophobicContact CD1-CD2 4.41Å; L95-L99 HydrophobicContact CD1-CG 3.96Å; L95-L99 HydrophobicContact CD2-CD1 4.33Å; L95-L99 HydrophobicContact CG-CD1 3.73Å; L95-L99 HydrophobicContact CG-CG 4.08Å; L95-L99 VanDerWaalsContact O-CB 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.24Å; L95-L99 WeakPolarHBondContact O-CG 3.42Å; L95-L99 PolarHBondContact O-N 2.96Å |
| 96 | L | 89.4 | Confident | 88.4 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -56 | 179.7 | -178.3 | 67.9 | 0 | 0 | 0 | 112.6 | P92 A98 L99 L100 L117 L141 F144 S145 Y346 | P92-L96 WeakPolarHBondContact O-CB 3.46Å; L96-A98 VanDerWaalsContact C-N 3.3Å; L96-A98 PolarHBondContact O-N 3.47Å; L96-L99 PolarHBondContact O-N 2.89Å; L96-L100 HydrophobicContact CD1-CD1 4.09Å; L96-L100 HydrophobicContact CD1-CG 4.22Å; L96-L100 HydrophobicContact CG-CD1 3.99Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 3.2Å; L96-L117 HydrophobicContact CD1-CD1 3.93Å; L96-L141 HydrophobicContact CB-CD1 4.4Å; L96-L141 HydrophobicContact CD2-CD1 3.98Å; L96-F144 HydrophobicContact CD2-CD1 4.08Å; L96-F144 HydrophobicContact CD2-CE1 4.46Å; L96-S145 WeakPolarHBondContact CD2-OG 3.32Å; L96-Y346 HydrophobicContact CD1-CD2 4.49Å; L96-Y346 HydrophobicContact CD1-CE2 3.81Å; L96-Y346 HydrophobicContact CD2-CE1 4.49Å |
| 97 | P | 92.1 | Very high | 89.3 | Confident | 22 Ų | 22 | 51 Ų | 51 | 14% | 0.143 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | -179.9 | 25.3 | -31.9 | 0 | 0 | 0 | 111 | L93 V94 L99 L100 H101 F144 Y148 | L93-P97 WeakPolarHBondContact O-CD 3.3Å; L93-P97 WeakPolarHBondContact O-CG 3.45Å; V94-P97 WeakPolarHBondContact O-CD 3.36Å; V94-P97 WeakPolarHBondContact O-CG 3.23Å; P97-L99 PolarHBondContact O-N 3.21Å; P97-L100 PolarHBondContact O-N 2.93Å; P97-H101 WeakPolarHBondContact O-CB 3.39Å; P97-H101 PolarHBondContact O-CD2 3.33Å; P97-H101 PolarHBondContact O-N 2.83Å; P97-F144 HydrophobicContact CG-CE1 4.03Å; P97-F144 HydrophobicContact CG-CZ 4.03Å; P97-Y148 HydrophobicContact CB-CE2 4.15Å |
| 98 | A | 93.4 | Very high | 90.3 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V94 L95 L96 L102 | V94-A98 VanDerWaalsContact O-CB 3.23Å; V94-A98 WeakPolarHBondContact O-CB 3.37Å; V94-A98 PolarHBondContact O-N 3.24Å; L95-A98 PolarHBondContact O-N 2.97Å; L96-A98 VanDerWaalsContact C-N 3.3Å; L96-A98 PolarHBondContact O-N 3.47Å; A98-L102 VanDerWaalsContact O-CB 3.32Å; A98-L102 WeakPolarHBondContact O-CB 3.16Å; A98-L102 PolarHBondContact O-N 3.45Å |
| 99 | L | 94.1 | Very high | 90.9 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 177.4 | -73.3 | 176.8 | 0 | 0 | 0 | 112.2 | L95 L96 P97 L102 A103 V113 | L95-L99 HydrophobicContact CD1-CD1 4.04Å; L95-L99 HydrophobicContact CD1-CD2 4.41Å; L95-L99 HydrophobicContact CD1-CG 3.96Å; L95-L99 HydrophobicContact CD2-CD1 4.33Å; L95-L99 HydrophobicContact CG-CD1 3.73Å; L95-L99 HydrophobicContact CG-CG 4.08Å; L95-L99 VanDerWaalsContact O-CB 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.24Å; L95-L99 WeakPolarHBondContact O-CG 3.42Å; L95-L99 PolarHBondContact O-N 2.96Å; L96-L99 PolarHBondContact O-N 2.89Å; P97-L99 PolarHBondContact O-N 3.21Å; L99-L102 PolarHBondContact O-N 3.44Å; L99-A103 VanDerWaalsContact O-CB 3.25Å; L99-A103 WeakPolarHBondContact O-CB 3.38Å; L99-A103 PolarHBondContact O-N 3.11Å; L99-V113 HydrophobicContact CB-CG1 3.93Å; L99-V113 HydrophobicContact CD2-CG1 4.24Å |
| 100 | L | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 177.6 | -68.2 | 175 | 0 | 0 | 0 | 112.1 | L96 P97 A103 A104 L114 Y148 M149 T342 Y346 | L96-L100 HydrophobicContact CD1-CD1 4.09Å; L96-L100 HydrophobicContact CD1-CG 4.22Å; L96-L100 HydrophobicContact CG-CD1 3.99Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 3.2Å; P97-L100 PolarHBondContact O-N 2.93Å; L100-A103 WeakPolarHBondContact O-CB 3.27Å; L100-A103 PolarHBondContact O-N 3.34Å; L100-A104 PolarHBondContact O-N 2.82Å; L100-L114 HydrophobicContact CD2-CD2 3.97Å; L100-Y148 HydrophobicContact CD1-CD1 4.19Å; L100-Y148 HydrophobicContact CD1-CE1 3.8Å; L100-M149 HydrophobicContact CD1-CE 3.45Å; L100-M149 VanDerWaalsContact CD1-CE 3.45Å; L100-T342 HydrophobicContact CD2-CG2 4.36Å; L100-Y346 HydrophobicContact CD2-CD2 4.27Å; L100-Y346 HydrophobicContact CD2-CG 4.01Å |
| 101 | H | 96.5 | Very high | 92.1 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 31% | 0.31 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 173 | -78.4 | -121.2 | 0 | 0 | 0 | 111.3 | P97 A103 A104 F105 Y148 Y335 | P97-H101 WeakPolarHBondContact O-CB 3.39Å; P97-H101 PolarHBondContact O-CD2 3.33Å; P97-H101 PolarHBondContact O-N 2.83Å; H101-A103 VanDerWaalsContact C-N 3.35Å; H101-A103 PolarHBondContact O-N 2.91Å; H101-A104 WeakPolarHBondContact O-CB 3.27Å; H101-A104 PolarHBondContact O-N 3.15Å; H101-F105 WeakPolarHBondContact O-CD2 3.44Å; H101-Y148 PolarHBondContact CD2-OH 3.46Å; H101-Y148 PolarHBondContact NE2-OH 2.91Å; H101-Y335 PolarHBondContact CE1-OH 3.13Å; H101-Y335 VanDerWaalsContact CG-OH 3.28Å; H101-Y335 AromaticContact ND1-CZ 3.98Å; H101-Y335 PolarHBondContact ND1-OH 2.92Å |
| 102 | L | 96 | Very high | 92.7 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 174.4 | -179.1 | 64.9 | 0 | 0 | 0 | 111.1 | A98 L99 A104 F105 L109 V113 | A98-L102 VanDerWaalsContact O-CB 3.32Å; A98-L102 WeakPolarHBondContact O-CB 3.16Å; A98-L102 PolarHBondContact O-N 3.45Å; L99-L102 PolarHBondContact O-N 3.44Å; L102-A104 PolarHBondContact O-N 3.47Å; L102-F105 HydrophobicContact CD1-CD2 4.45Å; L102-F105 WeakPolarHBondContact O-CD2 3.44Å; L102-F105 PolarHBondContact O-N 3.39Å; L102-L109 HydrophobicContact CD1-CD2 3.8Å; L102-L109 HydrophobicContact CG-CD1 4.43Å; L102-L109 HydrophobicContact CG-CD2 3.91Å; L102-L109 HydrophobicContact CG-CG 4.27Å; L102-L109 WeakPolarHBondContact O-CD2 3.39Å; L102-V113 HydrophobicContact CD2-CG2 4.37Å |
| 103 | A | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.2 | -32.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L99 L100 H101 F105 G110 V113 T342 | L99-A103 VanDerWaalsContact O-CB 3.25Å; L99-A103 WeakPolarHBondContact O-CB 3.38Å; L99-A103 PolarHBondContact O-N 3.11Å; L100-A103 WeakPolarHBondContact O-CB 3.27Å; L100-A103 PolarHBondContact O-N 3.34Å; H101-A103 VanDerWaalsContact C-N 3.35Å; H101-A103 PolarHBondContact O-N 2.91Å; A103-F105 VanDerWaalsContact C-N 3.26Å; A103-F105 PolarHBondContact O-N 3.25Å; A103-G110 PolarHBondContact O-N 3.48Å; A103-V113 HydrophobicContact CB-CB 4.04Å; A103-V113 HydrophobicContact CB-CG1 4.13Å; A103-V113 HydrophobicContact CB-CG2 4.44Å; A103-T342 HydrophobicContact CB-CG2 3.44Å; A103-T342 VanDerWaalsContact CB-CG2 3.44Å |
| 104 | A | 96.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L100 H101 L102 H106 Y332 Y335 A338 L339 | L100-A104 PolarHBondContact O-N 2.82Å; H101-A104 WeakPolarHBondContact O-CB 3.27Å; H101-A104 PolarHBondContact O-N 3.15Å; L102-A104 PolarHBondContact O-N 3.47Å; A104-H106 PolarHBondContact O-N 3.3Å; A104-Y332 WeakPolarHBondContact O-CD1 3.32Å; A104-Y335 HydrophobicContact CB-CE2 4.28Å; A104-A338 HydrophobicContact CB-CB 4.36Å; A104-A338 VanDerWaalsContact O-CB 3.26Å; A104-A338 WeakPolarHBondContact O-CB 3.47Å; A104-L339 HydrophobicContact CB-CB 4.07Å; A104-L339 HydrophobicContact CB-CD1 4.08Å |
| 105 | F | 95.7 | Very high | 94 | Very high | 139 Ų | 139 | 54 Ų | 54 | 61% | 0.61 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -29.6 | 179.1 | -77.1 | -69.8 | 0 | 0 | 0 | 113.6 | H101 L102 A103 L109 Y335 | H101-F105 WeakPolarHBondContact O-CD2 3.44Å; L102-F105 HydrophobicContact CD1-CD2 4.45Å; L102-F105 WeakPolarHBondContact O-CD2 3.44Å; L102-F105 PolarHBondContact O-N 3.39Å; A103-F105 VanDerWaalsContact C-N 3.26Å; A103-F105 PolarHBondContact O-N 3.25Å; F105-L109 HydrophobicContact CB-CD2 4.44Å; F105-Y335 HydrophobicContact CE1-CE2 4.47Å |
| 106 | H | 94.1 | Very high | 94.3 | Very high | 101 Ų | 101 | 51.6 Ų | 51.6 | 47% | 0.468 | 28% | 0.28 | S | S | . | . | trans | -160 | 142 | -177 | -167.6 | -94.6 | 0 | 0 | 0 | 112.1 | A104 L108 L109 G110 Y332 | A104-H106 PolarHBondContact O-N 3.3Å; H106-L108 PolarHBondContact ND1-N 3.31Å; H106-L108 VanDerWaalsContact ND1-N 3.16Å; H106-L108 PolarHBondContact O-N 3.31Å; H106-L109 HydrophobicContact CB-CB 4.14Å; H106-L109 WeakPolarHBondContact O-CA 3.42Å; H106-L109 WeakPolarHBondContact O-CB 3.28Å; H106-L109 PolarHBondContact O-N 3Å; H106-G110 PolarHBondContact O-N 3.1Å; H106-Y332 VanDerWaalsContact C-CE1 3.46Å | ||
| 107 | F | 91.9 | Very high | 94.3 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -50.5 | -50.7 | 179.4 | 174.5 | -92.1 | 0 | 0 | 0 | 113.7 | L109 G110 V111 Y332 W345 | F107-L109 VanDerWaalsContact C-N 3.28Å; F107-L109 PolarHBondContact O-N 3.32Å; F107-G110 PolarHBondContact O-N 3.12Å; F107-V111 HydrophobicContact CD1-CG2 4.41Å; F107-V111 HydrophobicContact CE1-CG2 4.01Å; F107-V111 HydrophobicContact CZ-CG2 4.12Å; F107-V111 WeakPolarHBondContact O-CG2 3.3Å; F107-V111 PolarHBondContact O-N 3.17Å; F107-Y332 HydrophobicContact CB-CD2 4.09Å; F107-Y332 HydrophobicContact CB-CE2 3.83Å; F107-Y332 HydrophobicContact CD2-CE2 4.03Å; F107-Y332 HydrophobicContact CG-CE2 4.45Å; F107-W345 AromaticContact CD2-CH2 3.7Å; F107-W345 HydrophobicContact CD2-CH2 3.7Å; F107-W345 HydrophobicContact CD2-CZ2 4.49Å; F107-W345 HydrophobicContact CD2-CZ3 4.34Å; F107-W345 AromaticContact CE2-CH2 3.26Å; F107-W345 HydrophobicContact CE2-CH2 3.26Å; F107-W345 AromaticContact CE2-CZ2 3.88Å; F107-W345 HydrophobicContact CE2-CZ2 3.88Å; F107-W345 HydrophobicContact CE2-CZ3 4.25Å; F107-W345 AromaticContact CZ-CH2 3.94Å; F107-W345 HydrophobicContact CZ-CH2 3.94Å |
| 108 | L | 93.9 | Very high | 94.3 | Very high | 119 Ų | 119 | 53.5 Ų | 53.5 | 62% | 0.623 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.2 | -35.1 | 179.6 | -65.3 | 175.1 | 0 | 0 | 0 | 112.5 | H106 V111 L112 | H106-L108 PolarHBondContact ND1-N 3.31Å; H106-L108 VanDerWaalsContact ND1-N 3.16Å; H106-L108 PolarHBondContact O-N 3.31Å; L108-V111 PolarHBondContact O-N 3.13Å; L108-L112 WeakPolarHBondContact O-CB 3.44Å; L108-L112 PolarHBondContact O-N 2.86Å |
| 109 | L | 94.7 | Very high | 94.1 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.3 | -39.6 | 177.2 | -174 | 55 | 0 | 0 | 0 | 110.3 | L102 F105 H106 F107 L112 V113 | L102-L109 HydrophobicContact CD1-CD2 3.8Å; L102-L109 HydrophobicContact CG-CD1 4.43Å; L102-L109 HydrophobicContact CG-CD2 3.91Å; L102-L109 HydrophobicContact CG-CG 4.27Å; L102-L109 WeakPolarHBondContact O-CD2 3.39Å; F105-L109 HydrophobicContact CB-CD2 4.44Å; H106-L109 HydrophobicContact CB-CB 4.14Å; H106-L109 WeakPolarHBondContact O-CA 3.42Å; H106-L109 WeakPolarHBondContact O-CB 3.28Å; H106-L109 PolarHBondContact O-N 3Å; F107-L109 VanDerWaalsContact C-N 3.28Å; F107-L109 PolarHBondContact O-N 3.32Å; L109-L112 PolarHBondContact O-N 3.47Å; L109-V113 HydrophobicContact CD1-CG2 4.05Å; L109-V113 HydrophobicContact CG-CG2 4.37Å; L109-V113 WeakPolarHBondContact O-CB 3.29Å; L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.49Å; L109-V113 PolarHBondContact O-N 3.18Å |
| 110 | G | 93.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A103 H106 F107 L112 V113 L114 | A103-G110 PolarHBondContact O-N 3.48Å; H106-G110 PolarHBondContact O-N 3.1Å; F107-G110 PolarHBondContact O-N 3.12Å; G110-L112 PolarHBondContact O-N 3.32Å; G110-V113 PolarHBondContact O-N 2.88Å; G110-L114 VanDerWaalsContact O-CB 3.28Å; G110-L114 WeakPolarHBondContact O-CB 3.49Å; G110-L114 VanDerWaalsContact O-CG 3.27Å; G110-L114 WeakPolarHBondContact O-CG 3.48Å; G110-L114 PolarHBondContact O-N 3.47Å |
| 111 | V | 93.9 | Very high | 93.6 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 35% | 0.352 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 111 | F107 L108 T115 W345 | F107-V111 HydrophobicContact CD1-CG2 4.41Å; F107-V111 HydrophobicContact CE1-CG2 4.01Å; F107-V111 HydrophobicContact CZ-CG2 4.12Å; F107-V111 WeakPolarHBondContact O-CG2 3.3Å; F107-V111 PolarHBondContact O-N 3.17Å; L108-V111 PolarHBondContact O-N 3.13Å; V111-T115 HydrophobicContact CG1-CG2 4.33Å; V111-T115 VanDerWaalsContact O-CB 3.32Å; V111-T115 WeakPolarHBondContact O-CB 3.35Å; V111-T115 WeakPolarHBondContact O-CG2 3.34Å; V111-T115 PolarHBondContact O-N 3.28Å; V111-T115 PolarHBondContact O-OG1 3.16Å; V111-W345 HydrophobicContact CG2-CH2 4.02Å; V111-W345 HydrophobicContact CG2-CZ3 3.85Å |
| 112 | L | 95.9 | Very high | 93.2 | Very high | 109 Ų | 109 | 58.1 Ų | 58.1 | 57% | 0.571 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.5 | -48.2 | -179.3 | -178 | 144.5 | 0 | 0 | 0 | 112.4 | L108 L109 G110 T115 A116 | L108-L112 WeakPolarHBondContact O-CB 3.44Å; L108-L112 PolarHBondContact O-N 2.86Å; L109-L112 PolarHBondContact O-N 3.47Å; G110-L112 PolarHBondContact O-N 3.32Å; L112-T115 PolarHBondContact O-OG1 3.46Å; L112-T115 VanDerWaalsContact O-OG1 3.12Å; L112-A116 VanDerWaalsContact O-CB 3.3Å; L112-A116 WeakPolarHBondContact O-CB 3.39Å; L112-A116 PolarHBondContact O-N 3.01Å; L112-A116 VanDerWaalsContact O-N 3.1Å |
| 113 | V | 95.7 | Very high | 92.9 | Very high | 10 Ų | 10 | 62.4 Ų | 62.4 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.1 | -47.6 | -177.8 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L99 L102 A103 L109 G110 T115 A116 L117 | L99-V113 HydrophobicContact CB-CG1 3.93Å; L99-V113 HydrophobicContact CD2-CG1 4.24Å; L102-V113 HydrophobicContact CD2-CG2 4.37Å; A103-V113 HydrophobicContact CB-CB 4.04Å; A103-V113 HydrophobicContact CB-CG1 4.13Å; A103-V113 HydrophobicContact CB-CG2 4.44Å; L109-V113 HydrophobicContact CD1-CG2 4.05Å; L109-V113 HydrophobicContact CG-CG2 4.37Å; L109-V113 WeakPolarHBondContact O-CB 3.29Å; L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.49Å; L109-V113 PolarHBondContact O-N 3.18Å; G110-V113 PolarHBondContact O-N 2.88Å; V113-T115 PolarHBondContact O-N 3.41Å; V113-A116 PolarHBondContact O-N 3.36Å; V113-L117 WeakPolarHBondContact O-CB 3.49Å; V113-L117 PolarHBondContact O-N 3Å |
| 114 | L | 95.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.7 | -29.7 | -175.8 | -66 | -178.3 | 0 | 0 | 0 | 113.1 | L100 G110 P118 T342 W345 Y346 I349 | L100-L114 HydrophobicContact CD2-CD2 3.97Å; G110-L114 VanDerWaalsContact O-CB 3.28Å; G110-L114 WeakPolarHBondContact O-CB 3.49Å; G110-L114 VanDerWaalsContact O-CG 3.27Å; G110-L114 WeakPolarHBondContact O-CG 3.48Å; G110-L114 PolarHBondContact O-N 3.47Å; L114-P118 WeakPolarHBondContact O-CD 3.31Å; L114-T342 HydrophobicContact CD1-CG2 4.29Å; L114-W345 HydrophobicContact CD1-CB 3.47Å; L114-W345 VanDerWaalsContact CD1-CB 3.47Å; L114-W345 HydrophobicContact CD1-CD2 4.46Å; L114-W345 HydrophobicContact CD1-CE3 3.88Å; L114-W345 HydrophobicContact CD1-CG 4.39Å; L114-Y346 HydrophobicContact CD2-CD2 4.29Å; L114-I349 HydrophobicContact CB-CD1 3.9Å |
| 115 | T | 92.8 | Very high | 91.9 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -75.1 | -33.2 | 173.1 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | V111 L112 V113 | V111-T115 HydrophobicContact CG1-CG2 4.33Å; V111-T115 VanDerWaalsContact O-CB 3.32Å; V111-T115 WeakPolarHBondContact O-CB 3.35Å; V111-T115 WeakPolarHBondContact O-CG2 3.34Å; V111-T115 PolarHBondContact O-N 3.28Å; V111-T115 PolarHBondContact O-OG1 3.16Å; L112-T115 PolarHBondContact O-OG1 3.46Å; L112-T115 VanDerWaalsContact O-OG1 3.12Å; V113-T115 PolarHBondContact O-N 3.41Å |
| 116 | A | 93.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 66.8 Ų | 66.8 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.7 | -31.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L112 V113 G119 L120 | L112-A116 VanDerWaalsContact O-CB 3.3Å; L112-A116 WeakPolarHBondContact O-CB 3.39Å; L112-A116 PolarHBondContact O-N 3.01Å; L112-A116 VanDerWaalsContact O-N 3.1Å; V113-A116 PolarHBondContact O-N 3.36Å; A116-G119 WeakPolarHBondContact O-CA 3.2Å; A116-G119 PolarHBondContact O-N 3.49Å; A116-L120 PolarHBondContact O-N 3.18Å |
| 117 | L | 90.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | -172.3 | -171.8 | 157.1 | 0 | 0 | 0 | 113.7 | L96 V113 G119 L120 V121 Y346 | L96-L117 HydrophobicContact CD1-CD1 3.93Å; V113-L117 WeakPolarHBondContact O-CB 3.49Å; V113-L117 PolarHBondContact O-N 3Å; L117-G119 VanDerWaalsContact C-N 3.26Å; L117-G119 PolarHBondContact O-N 2.76Å; L117-L120 PolarHBondContact O-N 3.01Å; L117-V121 HydrophobicContact CD2-CG2 3.97Å; L117-V121 WeakPolarHBondContact O-CG2 3.45Å; L117-V121 PolarHBondContact O-N 3.46Å; L117-Y346 HydrophobicContact CD1-CD2 4.28Å; L117-Y346 HydrophobicContact CD1-CE2 4.09Å; L117-Y346 HydrophobicContact CD2-CE2 4Å |
| 118 | P | 90.4 | Very high | 90 | Very high | 46 Ų | 46 | 63.6 Ų | 63.6 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.9 | -39.6 | 173.7 | -26.3 | 34.8 | 0 | 0 | 0 | 112.8 | L114 V121 L122 I349 | L114-P118 WeakPolarHBondContact O-CD 3.31Å; P118-V121 PolarHBondContact O-N 2.95Å; P118-L122 WeakPolarHBondContact O-CB 3.37Å; P118-L122 VanDerWaalsContact O-CG 3.26Å; P118-L122 WeakPolarHBondContact O-CG 3.17Å; P118-L122 PolarHBondContact O-N 3.21Å; P118-I349 HydrophobicContact CG-CG2 3.94Å |
| 119 | G | 90.3 | Very high | 88.9 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A116 L117 L122 W123 | A116-G119 WeakPolarHBondContact O-CA 3.2Å; A116-G119 PolarHBondContact O-N 3.49Å; L117-G119 VanDerWaalsContact C-N 3.26Å; L117-G119 PolarHBondContact O-N 2.76Å; G119-L122 PolarHBondContact O-N 3.42Å; G119-W123 WeakPolarHBondContact O-CB 3.28Å; G119-W123 PolarHBondContact O-N 3.18Å |
| 120 | L | 89.4 | Confident | 87.7 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 49% | 0.492 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 176 | -68.8 | 172.3 | 0 | 0 | 0 | 112 | A116 L117 W123 Y124 | A116-L120 PolarHBondContact O-N 3.18Å; L117-L120 PolarHBondContact O-N 3.01Å; L120-W123 PolarHBondContact O-N 3Å; L120-Y124 WeakPolarHBondContact O-CB 3.18Å; L120-Y124 PolarHBondContact O-N 2.9Å |
| 121 | V | 88.9 | Confident | 86.6 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 13% | 0.127 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111 | L117 P118 Y124 Y125 F138 L141 W280 | L117-V121 HydrophobicContact CD2-CG2 3.97Å; L117-V121 WeakPolarHBondContact O-CG2 3.45Å; L117-V121 PolarHBondContact O-N 3.46Å; P118-V121 PolarHBondContact O-N 2.95Å; V121-Y124 PolarHBondContact O-N 3.33Å; V121-Y125 WeakPolarHBondContact O-CB 3.34Å; V121-Y125 PolarHBondContact O-N 3.43Å; V121-F138 HydrophobicContact CG1-CD1 4.39Å; V121-F138 HydrophobicContact CG1-CE1 3.79Å; V121-L141 HydrophobicContact CG2-CD2 4.11Å; V121-W280 HydrophobicContact CG1-CH2 3.96Å; V121-W280 HydrophobicContact CG1-CZ2 4.4Å |
| 122 | L | 88.9 | Confident | 85.3 | Confident | 99 Ų | 99 | 82.1 Ų | 82.1 | 52% | 0.518 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 175.6 | -72.8 | 173.6 | 0 | 0 | 0 | 111.9 | P118 G119 Y124 Y125 F126 | P118-L122 WeakPolarHBondContact O-CB 3.37Å; P118-L122 VanDerWaalsContact O-CG 3.26Å; P118-L122 WeakPolarHBondContact O-CG 3.17Å; P118-L122 PolarHBondContact O-N 3.21Å; G119-L122 PolarHBondContact O-N 3.42Å; L122-Y124 VanDerWaalsContact C-N 3.34Å; L122-Y124 PolarHBondContact O-N 2.67Å; L122-Y125 WeakPolarHBondContact O-CB 3.32Å; L122-Y125 PolarHBondContact O-N 2.97Å; L122-F126 WeakPolarHBondContact O-CD2 3.34Å; L122-F126 PolarHBondContact O-N 3.37Å |
| 123 | W | 89.7 | Confident | 83.9 | Confident | 165 Ų | 165 | 78.7 Ų | 78.7 | 63% | 0.625 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.2 | -45.9 | 174.7 | 174.3 | 85.5 | 0 | 0 | 0 | 111.3 | G119 L120 Y125 F126 F127 | G119-W123 WeakPolarHBondContact O-CB 3.28Å; G119-W123 PolarHBondContact O-N 3.18Å; L120-W123 PolarHBondContact O-N 3Å; W123-Y125 VanDerWaalsContact C-N 3.35Å; W123-Y125 PolarHBondContact O-N 3.41Å; W123-F126 PolarHBondContact O-N 3.48Å; W123-F127 WeakPolarHBondContact O-CB 3.21Å; W123-F127 PolarHBondContact O-N 2.93Å |
| 124 | Y | 85.7 | Confident | 83 | Confident | 48 Ų | 48 | 84.5 Ų | 84.5 | 19% | 0.188 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 175.9 | -174.2 | -92.8 | 0 | 0 | 0 | 112 | L120 V121 L122 F127 T128 F137 F138 | L120-Y124 WeakPolarHBondContact O-CB 3.18Å; L120-Y124 PolarHBondContact O-N 2.9Å; V121-Y124 PolarHBondContact O-N 3.33Å; L122-Y124 VanDerWaalsContact C-N 3.34Å; L122-Y124 PolarHBondContact O-N 2.67Å; Y124-F127 PolarHBondContact O-N 3.49Å; Y124-T128 HydrophobicContact CD1-CG2 3.96Å; Y124-T128 HydrophobicContact CD2-CG2 4.45Å; Y124-T128 HydrophobicContact CE1-CG2 3.45Å; Y124-T128 VanDerWaalsContact CE1-CG2 3.45Å; Y124-T128 HydrophobicContact CE2-CG2 4.02Å; Y124-T128 HydrophobicContact CG-CG2 4.43Å; Y124-T128 WeakPolarHBondContact O-CB 3.32Å; Y124-T128 WeakPolarHBondContact O-CG2 3.44Å; Y124-T128 PolarHBondContact O-N 2.93Å; Y124-T128 PolarHBondContact O-OG1 2.62Å; Y124-F137 AromaticContact CD1-CD1 3.54Å; Y124-F137 HydrophobicContact CD1-CD1 3.54Å; Y124-F137 HydrophobicContact CD1-CD2 4.09Å; Y124-F137 AromaticContact CD1-CE1 3.64Å; Y124-F137 HydrophobicContact CD1-CE1 3.64Å; Y124-F137 HydrophobicContact CD1-CE2 4.15Å; Y124-F137 AromaticContact CD1-CG 3.8Å; Y124-F137 HydrophobicContact CD1-CG 3.8Å; Y124-F137 AromaticContact CD1-CZ 3.96Å; Y124-F137 HydrophobicContact CD1-CZ 3.96Å; Y124-F137 HydrophobicContact CE1-CB 3.62Å; Y124-F137 AromaticContact CE1-CD1 3.48Å; Y124-F137 HydrophobicContact CE1-CD1 3.48Å; Y124-F137 VanDerWaalsContact CE1-CD1 3.48Å; Y124-F137 AromaticContact CE1-CD2 3.53Å; Y124-F137 HydrophobicContact CE1-CD2 3.53Å; Y124-F137 HydrophobicContact CE1-CE1 4Å; Y124-F137 HydrophobicContact CE1-CE2 4.03Å; Y124-F137 AromaticContact CE1-CG 3.24Å; Y124-F137 HydrophobicContact CE1-CG 3.24Å; Y124-F137 HydrophobicContact CE1-CZ 4.26Å; Y124-F137 HydrophobicContact CG-CE1 4.35Å; Y124-F137 HydrophobicContact CG-CZ 4.32Å; Y124-F137 AromaticContact CZ-CD2 3.76Å; Y124-F137 AromaticContact CZ-CG 3.91Å; Y124-F138 HydrophobicContact CD1-CE2 4.3Å; Y124-F138 HydrophobicContact CD1-CZ 4Å; Y124-F138 HydrophobicContact CE1-CE2 4.49Å |
| 125 | Y | 85.9 | Confident | 82.5 | Confident | 68 Ų | 68 | 85.4 Ų | 85.4 | 27% | 0.267 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.8 | -50.9 | 172.6 | 170.3 | -97.5 | 0 | 0 | 0 | 111.3 | V121 L122 W123 F127 T128 H129 F138 V279 | V121-Y125 WeakPolarHBondContact O-CB 3.34Å; V121-Y125 PolarHBondContact O-N 3.43Å; L122-Y125 WeakPolarHBondContact O-CB 3.32Å; L122-Y125 PolarHBondContact O-N 2.97Å; W123-Y125 VanDerWaalsContact C-N 3.35Å; W123-Y125 PolarHBondContact O-N 3.41Å; Y125-F127 VanDerWaalsContact C-N 3.34Å; Y125-F127 PolarHBondContact O-N 3.31Å; Y125-T128 PolarHBondContact O-N 3.22Å; Y125-T128 PolarHBondContact O-OG1 3.32Å; Y125-H129 HydrophobicContact CE2-CB 4.38Å; Y125-H129 WeakPolarHBondContact O-CB 3.08Å; Y125-H129 PolarHBondContact O-N 3.2Å; Y125-F138 HydrophobicContact CD2-CE2 4.21Å; Y125-F138 AromaticContact CD2-CZ 3.97Å; Y125-F138 HydrophobicContact CD2-CZ 3.97Å; Y125-F138 HydrophobicContact CG-CZ 4.26Å; Y125-V279 HydrophobicContact CD2-CG1 4.37Å; Y125-V279 HydrophobicContact CD2-CG2 4.21Å; Y125-V279 HydrophobicContact CE2-CG1 3.86Å; Y125-V279 HydrophobicContact CE2-CG2 4.14Å |
| 126 | F | 85.4 | Confident | 82.2 | Confident | 119 Ų | 119 | 83.3 Ų | 83.3 | 52% | 0.522 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 179.4 | -76.7 | -65 | 0 | 0 | 0 | 112.3 | L122 W123 R130 | L122-F126 WeakPolarHBondContact O-CD2 3.34Å; L122-F126 PolarHBondContact O-N 3.37Å; W123-F126 PolarHBondContact O-N 3.48Å; F126-R130 VanDerWaalsContact O-CB 3.29Å; F126-R130 WeakPolarHBondContact O-CB 3.3Å; F126-R130 VanDerWaalsContact O-CG 3.22Å; F126-R130 WeakPolarHBondContact O-CG 3.41Å; F126-R130 PolarHBondContact O-N 2.83Å |
| 127 | F | 82.4 | Confident | 82.1 | Confident | 97 Ų | 97 | 82 Ų | 82 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 177.2 | 178.8 | -101.2 | 0 | 0 | 0 | 112.3 | W123 Y124 Y125 | W123-F127 WeakPolarHBondContact O-CB 3.21Å; W123-F127 PolarHBondContact O-N 2.93Å; Y124-F127 PolarHBondContact O-N 3.49Å; Y125-F127 VanDerWaalsContact C-N 3.34Å; Y125-F127 PolarHBondContact O-N 3.31Å |
| 128 | T | 74.3 | Confident | 82.1 | Confident | 16 Ų | 16 | 81.2 Ų | 81.2 | 10% | 0.098 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.7 | -41.4 | -178.8 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | Y124 Y125 R130 K131 K132 T135 | Y124-T128 HydrophobicContact CD1-CG2 3.96Å; Y124-T128 HydrophobicContact CD2-CG2 4.45Å; Y124-T128 HydrophobicContact CE1-CG2 3.45Å; Y124-T128 VanDerWaalsContact CE1-CG2 3.45Å; Y124-T128 HydrophobicContact CE2-CG2 4.02Å; Y124-T128 HydrophobicContact CG-CG2 4.43Å; Y124-T128 WeakPolarHBondContact O-CB 3.32Å; Y124-T128 WeakPolarHBondContact O-CG2 3.44Å; Y124-T128 PolarHBondContact O-N 2.93Å; Y124-T128 PolarHBondContact O-OG1 2.62Å; Y125-T128 PolarHBondContact O-N 3.22Å; Y125-T128 PolarHBondContact O-OG1 3.32Å; T128-R130 VanDerWaalsContact C-N 3.34Å; T128-R130 PolarHBondContact O-N 3.05Å; T128-K131 PolarHBondContact O-N 3.22Å; T128-K131 VanDerWaalsContact O-N 3.08Å; T128-K132 PolarHBondContact O-N 2.94Å; T128-T135 HydrophobicContact CG2-CG2 4.04Å |
| 129 | H | 68.8 | Low | 82.2 | Confident | 79 Ų | 79 | 79.7 Ų | 79.7 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.5 | -31.7 | 179.7 | -168.1 | -87.5 | 0 | 0 | 0 | 112.4 | Y125 K131 K132 | Y125-H129 HydrophobicContact CE2-CB 4.38Å; Y125-H129 WeakPolarHBondContact O-CB 3.08Å; Y125-H129 PolarHBondContact O-N 3.2Å; H129-K131 PolarHBondContact O-N 3.02Å; H129-K132 PolarHBondContact O-N 2.92Å; H129-K132 VanDerWaalsContact O-N 3.08Å |
| 130 | R | 71.4 | Confident | 82.3 | Confident | 210 Ų | 210 | 78.4 Ų | 78.4 | 79% | 0.792 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.8 | -32.5 | 170.6 | -82.2 | -176.5 | 178.8 | -159.5 | 1.7 | 112.5 | F126 T128 K132 | F126-R130 VanDerWaalsContact O-CB 3.29Å; F126-R130 WeakPolarHBondContact O-CB 3.3Å; F126-R130 VanDerWaalsContact O-CG 3.22Å; F126-R130 WeakPolarHBondContact O-CG 3.41Å; F126-R130 PolarHBondContact O-N 2.83Å; T128-R130 VanDerWaalsContact C-N 3.34Å; T128-R130 PolarHBondContact O-N 3.05Å; R130-K132 PolarHBondContact O-N 2.84Å |
| 131 | K | 69.9 | Low | 82.5 | Confident | 150 Ų | 150 | 74.4 Ų | 74.4 | 65% | 0.652 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 7.4 | 175.7 | -65 | -172.4 | 177.8 | -172.7 | 0 | 113.7 | T128 H129 G133 | T128-K131 PolarHBondContact O-N 3.22Å; T128-K131 VanDerWaalsContact O-N 3.08Å; H129-K131 PolarHBondContact O-N 3.02Å; K131-G133 PolarHBondContact O-N 2.54Å |
| 132 | K | 65 | Low | 82.7 | Confident | 179 Ų | 179 | 75.1 Ų | 75.1 | 78% | 0.778 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 20.5 | 172.9 | -58.8 | -179.1 | -177.7 | 171.8 | 0 | 115.5 | T128 H129 R130 | T128-K132 PolarHBondContact O-N 2.94Å; H129-K132 PolarHBondContact O-N 2.92Å; H129-K132 VanDerWaalsContact O-N 3.08Å; R130-K132 PolarHBondContact O-N 2.84Å |
| 133 | G | 67.8 | Low | 83 | Confident | 37 Ų | 37 | 73.8 Ų | 73.8 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | trans | -92.6 | 149.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K131 | K131-G133 PolarHBondContact O-N 2.54Š| ||
| 134 | R | 76.9 | Confident | 83.3 | Confident | 132 Ų | 132 | 68.7 Ų | 68.7 | 50% | 0.498 | 32% | 0.317 | S | S | . | . | trans | -74.2 | 137.6 | 159 | -67.2 | 176.5 | 69 | -179.1 | 4.2 | 108 | L266 N282 | R134-L266 WeakPolarHBondContact CD-O 3.39Å; R134-L266 WeakPolarHBondContact CG-O 3.49Å; R134-N282 PolarHBondContact NE-OD1 2.84Å; R134-N282 VanDerWaalsContact NE-OD1 3.08Å; R134-N282 PolarHBondContact NH2-O 2.88Å; R134-N282 PolarHBondContact NH2-OD1 3.49Å | ||
| 135 | T | 84.2 | Confident | 83.7 | Confident | 26 Ų | 26 | 67 Ų | 67 | 16% | 0.16 | 31% | 0.312 | C | S | . | . | trans | -129.8 | 141.9 | 177.5 | 64.5 | 0 | 0 | 0 | 0 | 109.7 | T128 F137 | T128-T135 HydrophobicContact CG2-CG2 4.04Å; T135-F137 VanDerWaalsContact C-N 3.33Å | ||
| 136 | L | 87 | Confident | 84.2 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 29% | 0.293 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -81.5 | -13.9 | 173.6 | -71.5 | 171.1 | 0 | 0 | 0 | 113.4 | D86 S88 I89 F138 L139 S140 N282 | D86-L136 HydrophobicContact CB-CD1 3.91Å; S88-L136 PolarHBondContact OG-N 3.4Å; I89-L136 HydrophobicContact CD1-CB 4.28Å; I89-L136 HydrophobicContact CD1-CD1 4.01Å; I89-L136 HydrophobicContact CG1-CB 3.85Å; I89-L136 HydrophobicContact CG1-CD1 4.48Å; L136-F138 PolarHBondContact O-N 2.84Å; L136-L139 HydrophobicContact CD2-CD2 4.23Å; L136-L139 PolarHBondContact O-N 3.04Å; L136-L139 VanDerWaalsContact O-N 3.11Å; L136-S140 PolarHBondContact O-N 2.8Å; L136-S140 PolarHBondContact O-OG 3.1Å; L136-S140 VanDerWaalsContact O-OG 3.05Å; L136-N282 VanDerWaalsContact CD2-ND2 3.27Å; L136-N282 WeakPolarHBondContact CD2-ND2 3.42Å |
| 137 | F | 89.9 | Confident | 84.8 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -39.2 | -56.2 | 179.7 | 178.7 | -91.1 | 0 | 0 | 0 | 115.1 | S88 P91 P92 Y124 T135 S140 L141 | S88-F137 WeakPolarHBondContact O-CA 3.18Å; S88-F137 WeakPolarHBondContact O-CB 3.32Å; S88-F137 WeakPolarHBondContact O-CD2 3.33Å; S88-F137 PolarHBondContact OG-N 3.41Å; P91-F137 HydrophobicContact CB-CE2 4.21Å; P92-F137 VanDerWaalsContact CD-CD2 3.46Å; P92-F137 HydrophobicContact CG-CD2 3.35Å; P92-F137 HydrophobicContact CG-CE2 3.42Å; P92-F137 VanDerWaalsContact CG-CE2 3.42Å; P92-F137 HydrophobicContact CG-CG 3.99Å; P92-F137 HydrophobicContact CG-CZ 4.1Å; Y124-F137 AromaticContact CD1-CD1 3.54Å; Y124-F137 HydrophobicContact CD1-CD1 3.54Å; Y124-F137 HydrophobicContact CD1-CD2 4.09Å; Y124-F137 AromaticContact CD1-CE1 3.64Å; Y124-F137 HydrophobicContact CD1-CE1 3.64Å; Y124-F137 HydrophobicContact CD1-CE2 4.15Å; Y124-F137 AromaticContact CD1-CG 3.8Å; Y124-F137 HydrophobicContact CD1-CG 3.8Å; Y124-F137 AromaticContact CD1-CZ 3.96Å; Y124-F137 HydrophobicContact CD1-CZ 3.96Å; Y124-F137 HydrophobicContact CE1-CB 3.62Å; Y124-F137 AromaticContact CE1-CD1 3.48Å; Y124-F137 HydrophobicContact CE1-CD1 3.48Å; Y124-F137 VanDerWaalsContact CE1-CD1 3.48Å; Y124-F137 AromaticContact CE1-CD2 3.53Å; Y124-F137 HydrophobicContact CE1-CD2 3.53Å; Y124-F137 HydrophobicContact CE1-CE1 4Å; Y124-F137 HydrophobicContact CE1-CE2 4.03Å; Y124-F137 AromaticContact CE1-CG 3.24Å; Y124-F137 HydrophobicContact CE1-CG 3.24Å; Y124-F137 HydrophobicContact CE1-CZ 4.26Å; Y124-F137 HydrophobicContact CG-CE1 4.35Å; Y124-F137 HydrophobicContact CG-CZ 4.32Å; Y124-F137 AromaticContact CZ-CD2 3.76Å; Y124-F137 AromaticContact CZ-CG 3.91Å; T135-F137 VanDerWaalsContact C-N 3.33Å; F137-S140 WeakPolarHBondContact CA-OG 3.34Å; F137-S140 PolarHBondContact O-N 3.15Å; F137-S140 PolarHBondContact O-OG 3.35Å; F137-L141 HydrophobicContact CE1-CD2 3.98Å; F137-L141 HydrophobicContact CZ-CD2 4.29Å; F137-L141 WeakPolarHBondContact O-CB 3.43Å; F137-L141 PolarHBondContact O-N 2.83Å |
| 138 | F | 92.1 | Very high | 85.4 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69 | -38.7 | -173.8 | -66.3 | -79.7 | 0 | 0 | 0 | 112.4 | V121 Y124 Y125 L136 L141 A142 V279 W280 | V121-F138 HydrophobicContact CG1-CD1 4.39Å; V121-F138 HydrophobicContact CG1-CE1 3.79Å; Y124-F138 HydrophobicContact CD1-CE2 4.3Å; Y124-F138 HydrophobicContact CD1-CZ 4Å; Y124-F138 HydrophobicContact CE1-CE2 4.49Å; Y125-F138 HydrophobicContact CD2-CE2 4.21Å; Y125-F138 AromaticContact CD2-CZ 3.97Å; Y125-F138 HydrophobicContact CD2-CZ 3.97Å; Y125-F138 HydrophobicContact CG-CZ 4.26Å; L136-F138 PolarHBondContact O-N 2.84Å; F138-L141 PolarHBondContact O-N 3.47Å; F138-A142 WeakPolarHBondContact O-CB 3.22Å; F138-A142 PolarHBondContact O-N 3.33Å; F138-V279 HydrophobicContact CB-CB 4.37Å; F138-V279 HydrophobicContact CB-CG2 4.33Å; F138-V279 WeakPolarHBondContact CB-O 3.22Å; F138-V279 HydrophobicContact CD1-CG2 4.29Å; F138-V279 HydrophobicContact CD2-CB 3.89Å; F138-V279 HydrophobicContact CD2-CG2 4.05Å; F138-V279 HydrophobicContact CG-CB 4.15Å; F138-V279 HydrophobicContact CG-CG2 3.94Å; F138-W280 HydrophobicContact CB-CD2 4.19Å; F138-W280 HydrophobicContact CB-CE3 3.86Å; F138-W280 HydrophobicContact CB-CZ3 4.33Å; F138-W280 HydrophobicContact CD1-CD2 4.29Å; F138-W280 HydrophobicContact CD1-CE3 4.12Å; F138-W280 AromaticContact CD1-CH2 3.88Å; F138-W280 HydrophobicContact CD1-CH2 3.88Å; F138-W280 HydrophobicContact CD1-CZ2 4.03Å; F138-W280 AromaticContact CD1-CZ3 3.92Å; F138-W280 HydrophobicContact CD1-CZ3 3.92Å; F138-W280 HydrophobicContact CG-CE3 4.5Å |
| 139 | L | 92.9 | Very high | 86.5 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 175.5 | 175.5 | 64.5 | 0 | 0 | 0 | 111 | L136 L141 A142 L143 W280 N282 | L136-L139 HydrophobicContact CD2-CD2 4.23Å; L136-L139 PolarHBondContact O-N 3.04Å; L136-L139 VanDerWaalsContact O-N 3.11Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-A142 PolarHBondContact O-N 2.93Å; L139-L143 HydrophobicContact CD1-CD1 3.91Å; L139-L143 HydrophobicContact CD1-CG 4.11Å; L139-L143 HydrophobicContact CG-CD1 4.03Å; L139-L143 WeakPolarHBondContact O-CB 3.09Å; L139-L143 WeakPolarHBondContact O-CG 3.36Å; L139-L143 PolarHBondContact O-N 3.35Å; L139-W280 VanDerWaalsContact CA-O 3.31Å; L139-W280 WeakPolarHBondContact CA-O 3.29Å; L139-W280 WeakPolarHBondContact CD1-O 3.43Å; L139-N282 HydrophobicContact CD2-CB 4.36Å |
| 140 | S | 92.3 | Very high | 87.9 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 175.7 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | L136 F137 F144 | L136-S140 PolarHBondContact O-N 2.8Å; L136-S140 PolarHBondContact O-OG 3.1Å; L136-S140 VanDerWaalsContact O-OG 3.05Å; F137-S140 WeakPolarHBondContact CA-OG 3.34Å; F137-S140 PolarHBondContact O-N 3.15Å; F137-S140 PolarHBondContact O-OG 3.35Å; S140-F144 WeakPolarHBondContact O-CB 3.33Å; S140-F144 PolarHBondContact O-N 2.86Å |
| 141 | L | 93.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.5 | -179.7 | 62.9 | 0 | 0 | 0 | 111.3 | P92 L96 V121 F137 F138 L139 S145 W280 | P92-L141 HydrophobicContact CB-CB 3.87Å; P92-L141 HydrophobicContact CB-CD1 3.93Å; P92-L141 HydrophobicContact CG-CB 4.01Å; L96-L141 HydrophobicContact CB-CD1 4.4Å; L96-L141 HydrophobicContact CD2-CD1 3.98Å; V121-L141 HydrophobicContact CG2-CD2 4.11Å; F137-L141 HydrophobicContact CE1-CD2 3.98Å; F137-L141 HydrophobicContact CZ-CD2 4.29Å; F137-L141 WeakPolarHBondContact O-CB 3.43Å; F137-L141 PolarHBondContact O-N 2.83Å; F138-L141 PolarHBondContact O-N 3.47Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L141-S145 WeakPolarHBondContact O-CB 3.45Å; L141-S145 PolarHBondContact O-N 3.38Å; L141-S145 PolarHBondContact O-OG 3.43Å; L141-W280 HydrophobicContact CD2-CH2 4.39Å; L141-W280 HydrophobicContact CD2-CZ3 4.08Å |
| 142 | A | 93.6 | Very high | 90.4 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.9 | -49.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F138 L139 S145 L146 W280 | F138-A142 WeakPolarHBondContact O-CB 3.22Å; F138-A142 PolarHBondContact O-N 3.33Å; L139-A142 PolarHBondContact O-N 2.93Å; A142-S145 PolarHBondContact O-N 3.39Å; A142-L146 WeakPolarHBondContact O-CB 3.26Å; A142-L146 PolarHBondContact O-N 3.43Å; A142-W280 HydrophobicContact CB-CE3 4.39Å |
| 143 | L | 94.9 | Very high | 92 | Very high | 70 Ų | 70 | 40.7 Ų | 40.7 | 37% | 0.366 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.1 | -44.2 | -179.1 | -70.6 | 175.4 | 0 | 0 | 0 | 112.2 | L139 L146 G147 L179 L182 | L139-L143 HydrophobicContact CD1-CD1 3.91Å; L139-L143 HydrophobicContact CD1-CG 4.11Å; L139-L143 HydrophobicContact CG-CD1 4.03Å; L139-L143 WeakPolarHBondContact O-CB 3.09Å; L139-L143 WeakPolarHBondContact O-CG 3.36Å; L139-L143 PolarHBondContact O-N 3.35Å; L143-L146 PolarHBondContact O-N 3.34Å; L143-G147 PolarHBondContact O-N 3.21Å; L143-L179 HydrophobicContact CD2-CD2 3.88Å; L143-L182 HydrophobicContact CD2-CD2 3.68Å |
| 144 | F | 94.7 | Very high | 93.4 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 25% | 0.254 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.5 | -177.2 | -91.2 | 0 | 0 | 0 | 110.9 | L93 L96 P97 S140 L146 G147 Y148 | L93-F144 HydrophobicContact CD1-CB 4.09Å; L93-F144 HydrophobicContact CD1-CD2 3.97Å; L93-F144 HydrophobicContact CD1-CG 4.12Å; L93-F144 HydrophobicContact CG-CD2 3.74Å; L93-F144 HydrophobicContact CG-CE2 4.09Å; L93-F144 HydrophobicContact CG-CG 4.29Å; L96-F144 HydrophobicContact CD2-CD1 4.08Å; L96-F144 HydrophobicContact CD2-CE1 4.46Å; P97-F144 HydrophobicContact CG-CE1 4.03Å; P97-F144 HydrophobicContact CG-CZ 4.03Å; S140-F144 WeakPolarHBondContact O-CB 3.33Å; S140-F144 PolarHBondContact O-N 2.86Å; F144-L146 PolarHBondContact O-N 3.27Å; F144-G147 PolarHBondContact O-N 3.1Å; F144-Y148 HydrophobicContact CE1-CD2 4.5Å; F144-Y148 HydrophobicContact CE1-CG 4.26Å; F144-Y148 HydrophobicContact CZ-CD2 4.38Å; F144-Y148 WeakPolarHBondContact O-CB 3.27Å; F144-Y148 PolarHBondContact O-N 3.47Å |
| 145 | S | 95.4 | Very high | 94.4 | Very high | 12 Ų | 12 | 37 Ų | 37 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 174.3 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | L96 L141 A142 G147 Y148 M149 Y346 | L96-S145 WeakPolarHBondContact CD2-OG 3.32Å; L141-S145 WeakPolarHBondContact O-CB 3.45Å; L141-S145 PolarHBondContact O-N 3.38Å; L141-S145 PolarHBondContact O-OG 3.43Å; A142-S145 PolarHBondContact O-N 3.39Å; S145-G147 PolarHBondContact O-N 3.05Å; S145-Y148 PolarHBondContact O-N 3.44Å; S145-M149 WeakPolarHBondContact O-CB 3.41Å; S145-M149 WeakPolarHBondContact O-CG 3.07Å; S145-M149 PolarHBondContact O-N 2.92Å; S145-Y346 PolarHBondContact OG-OH 3.44Å |
| 146 | L | 96.5 | Very high | 94.9 | Very high | 29 Ų | 29 | 39 Ų | 39 | 15% | 0.152 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 179.1 | -178.7 | 62.5 | 0 | 0 | 0 | 111.8 | A142 L143 F144 Y150 V175 T178 L179 | A142-L146 WeakPolarHBondContact O-CB 3.26Å; A142-L146 PolarHBondContact O-N 3.43Å; L143-L146 PolarHBondContact O-N 3.34Å; F144-L146 PolarHBondContact O-N 3.27Å; L146-Y150 WeakPolarHBondContact O-CB 3.32Å; L146-Y150 PolarHBondContact O-N 2.92Å; L146-V175 HydrophobicContact CD1-CG1 4.46Å; L146-V175 HydrophobicContact CD1-CG2 4.27Å; L146-V175 HydrophobicContact CD2-CG1 4.38Å; L146-V175 HydrophobicContact CG-CG1 4.34Å; L146-T178 HydrophobicContact CD2-CG2 4.39Å; L146-L179 HydrophobicContact CD2-CD2 3.85Å; L146-L179 HydrophobicContact CD2-CG 4.14Å |
| 147 | G | 96.3 | Very high | 95.4 | Very high | 40 Ų | 40 | 36.4 Ų | 36.4 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.3 | -45 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L143 F144 S145 Y150 Y151 | L143-G147 PolarHBondContact O-N 3.21Å; F144-G147 PolarHBondContact O-N 3.1Å; S145-G147 PolarHBondContact O-N 3.05Å; G147-Y150 PolarHBondContact O-N 3.47Å; G147-Y151 WeakPolarHBondContact O-CB 3.18Å; G147-Y151 PolarHBondContact O-N 3.24Å |
| 148 | Y | 96.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 10% | 0.102 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.3 | -40.7 | 179.4 | 179.3 | -102.8 | 0 | 0 | 0 | 111.9 | P97 L100 H101 F144 S145 Y151 L152 | P97-Y148 HydrophobicContact CB-CE2 4.15Å; L100-Y148 HydrophobicContact CD1-CD1 4.19Å; L100-Y148 HydrophobicContact CD1-CE1 3.8Å; H101-Y148 PolarHBondContact CD2-OH 3.46Å; H101-Y148 PolarHBondContact NE2-OH 2.91Å; F144-Y148 HydrophobicContact CE1-CD2 4.5Å; F144-Y148 HydrophobicContact CE1-CG 4.26Å; F144-Y148 HydrophobicContact CZ-CD2 4.38Å; F144-Y148 WeakPolarHBondContact O-CB 3.27Å; F144-Y148 PolarHBondContact O-N 3.47Å; S145-Y148 PolarHBondContact O-N 3.44Å; Y148-Y151 PolarHBondContact O-N 2.96Å; Y148-L152 HydrophobicContact CD1-CD1 4.09Å; Y148-L152 HydrophobicContact CE1-CD1 3.41Å; Y148-L152 VanDerWaalsContact CE1-CD1 3.41Å; Y148-L152 HydrophobicContact CE1-CG 4.13Å; Y148-L152 HydrophobicContact CE2-CD1 4.39Å; Y148-L152 HydrophobicContact CE2-CG 4.34Å; Y148-L152 PolarHBondContact O-N 2.68Å |
| 149 | M | 97.1 | Very high | 95.9 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 14% | 0.138 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 175.9 | -65 | -66.1 | 140.4 | 0 | 0 | 111.8 | L100 S145 F153 C343 Y346 C347 | L100-M149 HydrophobicContact CD1-CE 3.45Å; L100-M149 VanDerWaalsContact CD1-CE 3.45Å; S145-M149 WeakPolarHBondContact O-CB 3.41Å; S145-M149 WeakPolarHBondContact O-CG 3.07Å; S145-M149 PolarHBondContact O-N 2.92Å; M149-F153 WeakPolarHBondContact O-CB 3.28Å; M149-F153 PolarHBondContact O-N 3.4Å; M149-C343 HydrophobicContact CE-CB 3.89Å; M149-C343 HydrophobicContact SD-CB 3.58Å; M149-C343 VanDerWaalsContact SD-CB 3.58Å; M149-Y346 HydrophobicContact CE-CD1 3.62Å; M149-Y346 HydrophobicContact CE-CE1 4.06Å; M149-Y346 HydrophobicContact SD-CD1 4.35Å; M149-C347 VanDerWaalsContact CG-SG 3.58Å; M149-C347 PolarHBondContact SD-SG 3.39Å |
| 150 | Y | 98.1 | Very high | 96 | Very high | 76 Ų | 76 | 45.6 Ų | 45.6 | 30% | 0.298 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66 | -40 | 174.4 | -179.9 | -105.4 | 0 | 0 | 0 | 112 | L146 G147 F153 V154 V171 S172 V175 | L146-Y150 WeakPolarHBondContact O-CB 3.32Å; L146-Y150 PolarHBondContact O-N 2.92Å; G147-Y150 PolarHBondContact O-N 3.47Å; Y150-F153 WeakPolarHBondContact O-CB 3.48Å; Y150-F153 PolarHBondContact O-N 2.85Å; Y150-V154 HydrophobicContact CD1-CG2 4.49Å; Y150-V154 HydrophobicContact CD2-CG2 4.45Å; Y150-V154 HydrophobicContact CE1-CG2 4.04Å; Y150-V154 HydrophobicContact CE2-CG2 4.01Å; Y150-V154 WeakPolarHBondContact O-CG2 3.09Å; Y150-V154 PolarHBondContact O-N 3.4Å; Y150-V171 HydrophobicContact CD2-CG1 4.14Å; Y150-V171 HydrophobicContact CE2-CG1 4.28Å; Y150-S172 WeakPolarHBondContact OH-CB 3.44Å; Y150-S172 PolarHBondContact OH-OG 2.92Å; Y150-V175 HydrophobicContact CD2-CG2 3.94Å; Y150-V175 HydrophobicContact CG-CG2 4.43Å |
| 151 | Y | 97.4 | Very high | 96 | Very high | 144 Ų | 144 | 48 Ų | 48 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.1 | -52.9 | 174.1 | 166.8 | -102.3 | 0 | 0 | 0 | 111.4 | G147 Y148 F153 V154 S155 | G147-Y151 WeakPolarHBondContact O-CB 3.18Å; G147-Y151 PolarHBondContact O-N 3.24Å; Y148-Y151 PolarHBondContact O-N 2.96Å; Y151-F153 VanDerWaalsContact C-N 3.28Å; Y151-F153 PolarHBondContact O-N 3.19Å; Y151-V154 PolarHBondContact O-N 3.05Å; Y151-V154 VanDerWaalsContact O-N 3.15Å; Y151-S155 WeakPolarHBondContact O-CB 3.37Å; Y151-S155 PolarHBondContact O-N 3.31Å; Y151-S155 PolarHBondContact O-OG 3.4Å; Y151-S155 VanDerWaalsContact O-OG 3.1Å |
| 152 | L | 96.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 177.2 | -75.3 | -177.8 | 0 | 0 | 0 | 112.2 | Y148 V154 S155 E156 L339 C343 | Y148-L152 HydrophobicContact CD1-CD1 4.09Å; Y148-L152 HydrophobicContact CE1-CD1 3.41Å; Y148-L152 VanDerWaalsContact CE1-CD1 3.41Å; Y148-L152 HydrophobicContact CE1-CG 4.13Å; Y148-L152 HydrophobicContact CE2-CD1 4.39Å; Y148-L152 HydrophobicContact CE2-CG 4.34Å; Y148-L152 PolarHBondContact O-N 2.68Å; L152-V154 VanDerWaalsContact C-N 3.35Å; L152-V154 PolarHBondContact O-N 3.03Å; L152-S155 PolarHBondContact O-N 2.95Å; L152-E156 HydrophobicContact CD2-CG 4.05Å; L152-E156 WeakPolarHBondContact O-CA 3.48Å; L152-E156 VanDerWaalsContact O-CB 3.3Å; L152-E156 WeakPolarHBondContact O-CB 3.21Å; L152-E156 PolarHBondContact O-N 3.48Å; L152-L339 HydrophobicContact CD1-CD2 4.35Å; L152-L339 HydrophobicContact CD1-CG 4.26Å; L152-L339 HydrophobicContact CD2-CD2 4.01Å; L152-C343 HydrophobicContact CD1-CB 4.37Å; L152-C343 WeakPolarHBondContact CD1-SG 3.46Å |
| 153 | F | 97.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -59.3 | -46.4 | 175.5 | 179.9 | -97.2 | 0 | 0 | 0 | 111.6 | M149 Y150 Y151 V157 F158 V163 L168 V171 L310 V311 | M149-F153 WeakPolarHBondContact O-CB 3.28Å; M149-F153 PolarHBondContact O-N 3.4Å; Y150-F153 WeakPolarHBondContact O-CB 3.48Å; Y150-F153 PolarHBondContact O-N 2.85Å; Y151-F153 VanDerWaalsContact C-N 3.28Å; Y151-F153 PolarHBondContact O-N 3.19Å; F153-V157 HydrophobicContact CD2-CB 4.07Å; F153-V157 HydrophobicContact CD2-CG1 4.12Å; F153-V157 HydrophobicContact CD2-CG2 4.46Å; F153-V157 HydrophobicContact CE2-CB 4.46Å; F153-V157 HydrophobicContact CE2-CG1 4.07Å; F153-V157 WeakPolarHBondContact O-CB 3.18Å; F153-V157 PolarHBondContact O-N 3.04Å; F153-F158 PolarHBondContact O-N 3.08Å; F153-V163 HydrophobicContact CZ-CG1 3.94Å; F153-L168 HydrophobicContact CD1-CD1 4.26Å; F153-L168 HydrophobicContact CE1-CD1 3.82Å; F153-V171 HydrophobicContact CD1-CG1 4.25Å; F153-V171 HydrophobicContact CE1-CB 4.17Å; F153-V171 HydrophobicContact CE1-CG1 4.17Å; F153-V171 HydrophobicContact CE1-CG2 4.18Å; F153-V171 HydrophobicContact CZ-CG2 4.02Å; F153-L310 HydrophobicContact CE2-CB 3.9Å; F153-L310 HydrophobicContact CE2-CD1 3.83Å; F153-L310 HydrophobicContact CZ-CB 4.47Å; F153-L310 HydrophobicContact CZ-CD1 3.59Å; F153-V311 HydrophobicContact CD2-CG2 4.02Å |
| 154 | V | 98.1 | Very high | 96.1 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -73.2 | -34.2 | 179.9 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | Y150 Y151 L152 P159 L168 | Y150-V154 HydrophobicContact CD1-CG2 4.49Å; Y150-V154 HydrophobicContact CD2-CG2 4.45Å; Y150-V154 HydrophobicContact CE1-CG2 4.04Å; Y150-V154 HydrophobicContact CE2-CG2 4.01Å; Y150-V154 WeakPolarHBondContact O-CG2 3.09Å; Y150-V154 PolarHBondContact O-N 3.4Å; Y151-V154 PolarHBondContact O-N 3.05Å; Y151-V154 VanDerWaalsContact O-N 3.15Å; L152-V154 VanDerWaalsContact C-N 3.35Å; L152-V154 PolarHBondContact O-N 3.03Å; V154-P159 VanDerWaalsContact O-CD 3.32Å; V154-P159 WeakPolarHBondContact O-CD 3.36Å; V154-L168 HydrophobicContact CG2-CD1 4.05Å |
| 155 | S | 96.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -89.3 | -31.6 | -174.9 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | Y151 L152 P159 | Y151-S155 WeakPolarHBondContact O-CB 3.37Å; Y151-S155 PolarHBondContact O-N 3.31Å; Y151-S155 PolarHBondContact O-OG 3.4Å; Y151-S155 VanDerWaalsContact O-OG 3.1Å; L152-S155 PolarHBondContact O-N 2.95Å; S155-P159 WeakPolarHBondContact O-CG 2.89Å |
| 156 | E | 96 | Very high | 96.4 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -114 | -30.1 | -173.1 | -61.7 | -63.3 | 146.6 | 0 | 0 | 113.6 | L152 R160 S336 C340 | L152-E156 HydrophobicContact CD2-CG 4.05Å; L152-E156 WeakPolarHBondContact O-CA 3.48Å; L152-E156 VanDerWaalsContact O-CB 3.3Å; L152-E156 WeakPolarHBondContact O-CB 3.21Å; L152-E156 PolarHBondContact O-N 3.48Å; E156-R160 WeakPolarHBondContact O-CD 3.4Å; E156-R160 WeakPolarHBondContact O-CG 3.45Å; E156-R160 PolarHBondContact O-NE 2.93Å; E156-S336 VanDerWaalsContact OE2-CB 3.24Å; E156-S336 WeakPolarHBondContact OE2-CB 3.48Å; E156-S336 PolarHBondContact OE2-OG 3.23Å; E156-C340 VanDerWaalsContact CB-SG 3.57Å |
| 157 | V | 96.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -98.7 | -50.7 | -172.4 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | F153 R160 V163 V311 | F153-V157 HydrophobicContact CD2-CB 4.07Å; F153-V157 HydrophobicContact CD2-CG1 4.12Å; F153-V157 HydrophobicContact CD2-CG2 4.46Å; F153-V157 HydrophobicContact CE2-CB 4.46Å; F153-V157 HydrophobicContact CE2-CG1 4.07Å; F153-V157 WeakPolarHBondContact O-CB 3.18Å; F153-V157 PolarHBondContact O-N 3.04Å; V157-R160 WeakPolarHBondContact O-CB 3.4Å; V157-R160 PolarHBondContact O-N 3.37Å; V157-V163 HydrophobicContact CG1-CG2 4.01Å; V157-V311 HydrophobicContact CG1-CG2 4.5Å; V157-V311 HydrophobicContact CG2-CG1 4.49Å; V157-V311 HydrophobicContact CG2-CG2 4.14Å |
| 158 | F | 96.9 | Very high | 96.5 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -57.8 | -42.7 | 178.7 | -179.3 | -111.6 | 0 | 0 | 0 | 113.5 | F153 R160 G161 V163 L168 | F153-F158 PolarHBondContact O-N 3.08Å; F158-R160 PolarHBondContact O-N 3.43Å; F158-R160 VanDerWaalsContact O-N 3.1Å; F158-G161 PolarHBondContact O-N 3.08Å; F158-V163 HydrophobicContact CD2-CB 4.33Å; F158-V163 HydrophobicContact CD2-CG1 4.27Å; F158-L168 HydrophobicContact CD1-CD2 4.11Å; F158-L168 HydrophobicContact CD2-CB 4.1Å; F158-L168 HydrophobicContact CD2-CD2 3.88Å; F158-L168 HydrophobicContact CD2-CG 4.43Å; F158-L168 HydrophobicContact CE1-CD2 3.89Å; F158-L168 HydrophobicContact CE2-CB 4.05Å; F158-L168 HydrophobicContact CE2-CD2 3.65Å; F158-L168 HydrophobicContact CE2-CG 4.44Å; F158-L168 HydrophobicContact CG-CD2 4.1Å; F158-L168 HydrophobicContact CZ-CD2 3.66Å |
| 159 | P | 96.8 | Very high | 96.6 | Very high | 91 Ų | 91 | 57.3 Ų | 57.3 | 59% | 0.591 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -68.5 | -10 | -179.2 | -23.9 | 38.6 | 0 | 0 | 0 | 114.9 | V154 S155 G161 | V154-P159 VanDerWaalsContact O-CD 3.32Å; V154-P159 WeakPolarHBondContact O-CD 3.36Å; S155-P159 WeakPolarHBondContact O-CG 2.89Å; P159-G161 PolarHBondContact O-N 2.84Å |
| 160 | R | 94.4 | Very high | 96.7 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -69 | -20.1 | 174.9 | -64.1 | 174.7 | 179.7 | -129 | -5.1 | 112.6 | E156 V157 F158 D162 S314 S336 S337 | E156-R160 WeakPolarHBondContact O-CD 3.4Å; E156-R160 WeakPolarHBondContact O-CG 3.45Å; E156-R160 PolarHBondContact O-NE 2.93Å; V157-R160 WeakPolarHBondContact O-CB 3.4Å; V157-R160 PolarHBondContact O-N 3.37Å; F158-R160 PolarHBondContact O-N 3.43Å; F158-R160 VanDerWaalsContact O-N 3.1Å; R160-D162 VanDerWaalsContact C-N 3.32Å; R160-S314 WeakPolarHBondContact CD-OG 3Å; R160-S336 PolarHBondContact NH2-OG 3.49Å; R160-S337 PolarHBondContact NH1-OG 3.22Å; R160-S337 PolarHBondContact NH2-OG 3.17Å |
| 161 | G | 92.7 | Very high | 96.7 | Very high | 64 Ų | 64 | 54.9 Ų | 54.9 | 66% | 0.66 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 85.4 | -3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | F158 P159 V163 | F158-G161 PolarHBondContact O-N 3.08Å; P159-G161 PolarHBondContact O-N 2.84Å; G161-V163 VanDerWaalsContact C-N 3.29Å; G161-V163 PolarHBondContact O-N 2.81Å |
| 162 | D | 91.9 | Very high | 96.8 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | trans | -78.3 | -13.9 | 177.5 | -55.3 | -51.4 | 0 | 0 | 0 | 113.5 | R160 S314 | R160-D162 VanDerWaalsContact C-N 3.32Å; D162-S314 WeakPolarHBondContact OD2-CB 3.46Å; D162-S314 PolarHBondContact OD2-OG 3.49Å | ||
| 163 | V | 96.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -109.9 | 121.4 | -176 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | F153 V157 F158 G161 E167 L310 | F153-V163 HydrophobicContact CZ-CG1 3.94Å; V157-V163 HydrophobicContact CG1-CG2 4.01Å; F158-V163 HydrophobicContact CD2-CB 4.33Å; F158-V163 HydrophobicContact CD2-CG1 4.27Å; G161-V163 VanDerWaalsContact C-N 3.29Å; G161-V163 PolarHBondContact O-N 2.81Å; V163-E167 WeakPolarHBondContact CA-OE2 3.27Å; V163-E167 HydrophobicContact CG1-CB 3.78Å; V163-L310 HydrophobicContact CG1-CD1 4.37Å |
| 164 | G | 96.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 38% | 0.381 | 34% | 0.337 | S | S | . | . | trans | -74.1 | 159 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G166 E167 L168 | G164-G166 PolarHBondContact O-N 2.96Å; G164-E167 PolarHBondContact N-OE2 2.74Å; G164-E167 WeakPolarHBondContact O-CB 3.37Å; G164-E167 PolarHBondContact O-N 2.87Å; G164-L168 PolarHBondContact O-N 3.35Å | ||
| 165 | E | 97.2 | Very high | 96.9 | Very high | 165 Ų | 165 | 52.5 Ų | 52.5 | 77% | 0.771 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.9 | -35.8 | 177.2 | -63 | -173.7 | 156.6 | 0 | 0 | 112.9 | L168 A169 | E165-L168 PolarHBondContact O-N 3Å; E165-A169 WeakPolarHBondContact O-CB 3.36Å; E165-A169 PolarHBondContact O-N 3.33Å |
| 166 | G | 97.9 | Very high | 97 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.2 | -35.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G164 A170 | G164-G166 PolarHBondContact O-N 2.96Å; G166-A170 WeakPolarHBondContact O-CB 3.5Å; G166-A170 PolarHBondContact O-N 3.07Å |
| 167 | E | 98.1 | Very high | 97.1 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.9 | -41.1 | 176.5 | -57.8 | -174.9 | 111.4 | 0 | 0 | 110.6 | V163 G164 A170 V171 Y306 L310 R313 | V163-E167 WeakPolarHBondContact CA-OE2 3.27Å; V163-E167 HydrophobicContact CG1-CB 3.78Å; G164-E167 PolarHBondContact N-OE2 2.74Å; G164-E167 WeakPolarHBondContact O-CB 3.37Å; G164-E167 PolarHBondContact O-N 2.87Å; E167-A170 PolarHBondContact O-N 3.39Å; E167-V171 WeakPolarHBondContact O-CG2 3.18Å; E167-V171 PolarHBondContact O-N 3.19Å; E167-Y306 WeakPolarHBondContact CB-OH 3.44Å; E167-Y306 VanDerWaalsContact CG-OH 3.26Å; E167-Y306 WeakPolarHBondContact CG-OH 3.47Å; E167-L310 HydrophobicContact CB-CD1 4.05Å; E167-L310 HydrophobicContact CB-CD2 4.37Å; E167-L310 HydrophobicContact CG-CD2 4.46Å; E167-L310 WeakPolarHBondContact OE1-CD2 3.39Å; E167-R313 IonicContact OE1-CZ 2.81Å; E167-R313 IonicContact OE1-NH1 3.39Å; E167-R313 PolarHBondContact OE1-NH1 3.35Å; E167-R313 IonicContact OE1-NH2 3.97Å; E167-R313 IonicContact OE2-NH1 2.65Å |
| 168 | L | 98.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 17% | 0.173 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58 | -51.4 | 171.3 | 173.2 | 61.9 | 0 | 0 | 0 | 110.8 | F153 V154 F158 G164 E165 A170 V171 S172 | F153-L168 HydrophobicContact CD1-CD1 4.26Å; F153-L168 HydrophobicContact CE1-CD1 3.82Å; V154-L168 HydrophobicContact CG2-CD1 4.05Å; F158-L168 HydrophobicContact CD1-CD2 4.11Å; F158-L168 HydrophobicContact CD2-CB 4.1Å; F158-L168 HydrophobicContact CD2-CD2 3.88Å; F158-L168 HydrophobicContact CD2-CG 4.43Å; F158-L168 HydrophobicContact CE1-CD2 3.89Å; F158-L168 HydrophobicContact CE2-CB 4.05Å; F158-L168 HydrophobicContact CE2-CD2 3.65Å; F158-L168 HydrophobicContact CE2-CG 4.44Å; F158-L168 HydrophobicContact CG-CD2 4.1Å; F158-L168 HydrophobicContact CZ-CD2 3.66Å; G164-L168 PolarHBondContact O-N 3.35Å; E165-L168 PolarHBondContact O-N 3Å; L168-A170 VanDerWaalsContact C-N 3.29Å; L168-A170 PolarHBondContact O-N 2.89Å; L168-V171 PolarHBondContact O-N 3.36Å; L168-S172 PolarHBondContact O-N 3.42Å; L168-S172 PolarHBondContact O-OG 3.5Å; L168-S172 VanDerWaalsContact O-OG 3.06Å |
| 169 | A | 98.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.6 | -42.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E165 S172 I173 | E165-A169 WeakPolarHBondContact O-CB 3.36Å; E165-A169 PolarHBondContact O-N 3.33Å; A169-S172 PolarHBondContact O-N 3.35Å; A169-I173 WeakPolarHBondContact O-CB 3.47Å; A169-I173 WeakPolarHBondContact O-CD1 3.45Å; A169-I173 WeakPolarHBondContact O-CG1 3.31Å; A169-I173 PolarHBondContact O-N 2.02Å |
| 170 | A | 98.4 | Very high | 97.3 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 37% | 0.372 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G166 E167 L168 G174 Y306 | G166-A170 WeakPolarHBondContact O-CB 3.5Å; G166-A170 PolarHBondContact O-N 3.07Å; E167-A170 PolarHBondContact O-N 3.39Å; L168-A170 VanDerWaalsContact C-N 3.29Å; L168-A170 PolarHBondContact O-N 2.89Å; A170-G174 PolarHBondContact O-N 2.87Å; A170-Y306 HydrophobicContact CB-CE1 3.93Å |
| 171 | V | 98.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 174.8 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | Y150 F153 E167 L168 I173 G174 V175 Y306 L310 | Y150-V171 HydrophobicContact CD2-CG1 4.14Å; Y150-V171 HydrophobicContact CE2-CG1 4.28Å; F153-V171 HydrophobicContact CD1-CG1 4.25Å; F153-V171 HydrophobicContact CE1-CB 4.17Å; F153-V171 HydrophobicContact CE1-CG1 4.17Å; F153-V171 HydrophobicContact CE1-CG2 4.18Å; F153-V171 HydrophobicContact CZ-CG2 4.02Å; E167-V171 WeakPolarHBondContact O-CG2 3.18Å; E167-V171 PolarHBondContact O-N 3.19Å; L168-V171 PolarHBondContact O-N 3.36Å; V171-I173 VanDerWaalsContact C-N 3.34Å; V171-I173 PolarHBondContact O-N 3.17Å; V171-G174 PolarHBondContact O-N 2.89Å; V171-V175 HydrophobicContact CG1-CG2 4.39Å; V171-V175 WeakPolarHBondContact O-CG2 3.34Å; V171-V175 PolarHBondContact O-N 2.86Å; V171-Y306 HydrophobicContact CG2-CD1 3.75Å; V171-Y306 HydrophobicContact CG2-CE1 3.93Å; V171-L310 HydrophobicContact CG2-CD1 3.66Å |
| 172 | S | 98.4 | Very high | 97.7 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 179.8 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | Y150 L168 A169 V175 G176 | Y150-S172 WeakPolarHBondContact OH-CB 3.44Å; Y150-S172 PolarHBondContact OH-OG 2.92Å; L168-S172 PolarHBondContact O-N 3.42Å; L168-S172 PolarHBondContact O-OG 3.5Å; L168-S172 VanDerWaalsContact O-OG 3.06Å; A169-S172 PolarHBondContact O-N 3.35Å; S172-V175 PolarHBondContact O-N 3.11Å; S172-G176 PolarHBondContact O-N 2.98Å |
| 173 | I | 98.6 | Very high | 97.9 | Very high | 108 Ų | 108 | 47.7 Ų | 47.7 | 55% | 0.554 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 174.6 | -69.8 | 165 | 0 | 0 | 0 | 110.3 | A169 V171 V175 G176 L177 | A169-I173 WeakPolarHBondContact O-CB 3.47Å; A169-I173 WeakPolarHBondContact O-CD1 3.45Å; A169-I173 WeakPolarHBondContact O-CG1 3.31Å; A169-I173 PolarHBondContact O-N 2.02Å; V171-I173 VanDerWaalsContact C-N 3.34Å; V171-I173 PolarHBondContact O-N 3.17Å; I173-V175 PolarHBondContact O-N 3.48Å; I173-G176 PolarHBondContact O-N 3.37Å; I173-L177 HydrophobicContact CG2-CD1 3.85Å; I173-L177 HydrophobicContact CG2-CG 4.2Å; I173-L177 WeakPolarHBondContact O-CB 3.32Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 2.99Å |
| 174 | G | 98.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A170 V171 L177 T178 T303 | A170-G174 PolarHBondContact O-N 2.87Å; V171-G174 PolarHBondContact O-N 2.89Å; G174-L177 PolarHBondContact O-N 2.65Å; G174-T178 WeakPolarHBondContact O-CB 3.42Å; G174-T178 PolarHBondContact O-N 3.44Å; G174-T178 PolarHBondContact O-OG1 2.91Å; G174-T303 VanDerWaalsContact C-OG1 3.26Å; G174-T303 VanDerWaalsContact CA-OG1 3.22Å; G174-T303 WeakPolarHBondContact CA-OG1 3.34Å; G174-T303 PolarHBondContact O-OG1 3.49Å |
| 175 | V | 98.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 173.6 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L146 Y150 V171 S172 I173 L177 T178 L179 T303 | L146-V175 HydrophobicContact CD1-CG1 4.46Å; L146-V175 HydrophobicContact CD1-CG2 4.27Å; L146-V175 HydrophobicContact CD2-CG1 4.38Å; L146-V175 HydrophobicContact CG-CG1 4.34Å; Y150-V175 HydrophobicContact CD2-CG2 3.94Å; Y150-V175 HydrophobicContact CG-CG2 4.43Å; V171-V175 HydrophobicContact CG1-CG2 4.39Å; V171-V175 WeakPolarHBondContact O-CG2 3.34Å; V171-V175 PolarHBondContact O-N 2.86Å; S172-V175 PolarHBondContact O-N 3.11Å; I173-V175 PolarHBondContact O-N 3.48Å; V175-L177 PolarHBondContact O-N 2.79Å; V175-T178 WeakPolarHBondContact O-CB 3.06Å; V175-T178 PolarHBondContact O-N 3.39Å; V175-L179 HydrophobicContact CG1-CD1 4.18Å; V175-L179 WeakPolarHBondContact O-CG 3.46Å; V175-L179 PolarHBondContact O-N 3Å; V175-T303 HydrophobicContact CG2-CG2 3.96Å |
| 176 | G | 98.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 38% | 0.381 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S172 I173 L179 L180 | S172-G176 PolarHBondContact O-N 2.98Å; I173-G176 PolarHBondContact O-N 3.37Å; G176-L179 PolarHBondContact O-N 3.46Å; G176-L180 VanDerWaalsContact O-CB 3.31Å; G176-L180 WeakPolarHBondContact O-CB 3.31Å; G176-L180 PolarHBondContact O-N 2.94Å |
| 177 | L | 98.5 | Very high | 97.4 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 176.3 | -71.4 | 174 | 0 | 0 | 0 | 112.1 | I173 G174 V175 L180 T181 F299 | I173-L177 HydrophobicContact CG2-CD1 3.85Å; I173-L177 HydrophobicContact CG2-CG 4.2Å; I173-L177 WeakPolarHBondContact O-CB 3.32Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 2.99Å; G174-L177 PolarHBondContact O-N 2.65Å; V175-L177 PolarHBondContact O-N 2.79Å; L177-L180 PolarHBondContact O-N 3.43Å; L177-T181 WeakPolarHBondContact O-CB 3.34Å; L177-T181 WeakPolarHBondContact O-CG2 3.4Å; L177-T181 PolarHBondContact O-N 3.43Å; L177-T181 PolarHBondContact O-OG1 3.46Å; L177-F299 HydrophobicContact CB-CD1 4.22Å; L177-F299 HydrophobicContact CB-CD2 4.4Å; L177-F299 HydrophobicContact CB-CG 4.17Å; L177-F299 HydrophobicContact CD1-CD1 4.14Å; L177-F299 HydrophobicContact CD1-CE1 3.89Å; L177-F299 HydrophobicContact CD1-CZ 4.39Å |
| 178 | T | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 111 | L146 G174 V175 T181 L182 F300 | L146-T178 HydrophobicContact CD2-CG2 4.39Å; G174-T178 WeakPolarHBondContact O-CB 3.42Å; G174-T178 PolarHBondContact O-N 3.44Å; G174-T178 PolarHBondContact O-OG1 2.91Å; V175-T178 WeakPolarHBondContact O-CB 3.06Å; V175-T178 PolarHBondContact O-N 3.39Å; T178-T181 PolarHBondContact O-OG1 2.92Å; T178-T181 VanDerWaalsContact O-OG1 3.1Å; T178-L182 VanDerWaalsContact O-CB 3.24Å; T178-L182 WeakPolarHBondContact O-CB 3.45Å; T178-L182 PolarHBondContact O-N 2.95Å; T178-F300 HydrophobicContact CG2-CB 3.94Å; T178-F300 HydrophobicContact CG2-CD2 3.91Å; T178-F300 HydrophobicContact CG2-CG 4.4Å; T178-F300 PolarHBondContact OG1-N 2.9Å |
| 179 | L | 98.3 | Very high | 96.9 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 35% | 0.346 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 176.4 | -70.2 | 174.1 | 0 | 0 | 0 | 112.1 | L143 L146 V175 G176 L182 I183 | L143-L179 HydrophobicContact CD2-CD2 3.88Å; L146-L179 HydrophobicContact CD2-CD2 3.85Å; L146-L179 HydrophobicContact CD2-CG 4.14Å; V175-L179 HydrophobicContact CG1-CD1 4.18Å; V175-L179 WeakPolarHBondContact O-CG 3.46Å; V175-L179 PolarHBondContact O-N 3Å; G176-L179 PolarHBondContact O-N 3.46Å; L179-L182 PolarHBondContact O-N 3.4Å; L179-I183 VanDerWaalsContact O-CG1 3.28Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 3.02Å |
| 180 | L | 98.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.8 | -51 | 178.4 | -178.8 | 63.2 | 0 | 0 | 0 | 111.2 | G176 L177 L182 I183 Y184 | G176-L180 VanDerWaalsContact O-CB 3.31Å; G176-L180 WeakPolarHBondContact O-CB 3.31Å; G176-L180 PolarHBondContact O-N 2.94Å; L177-L180 PolarHBondContact O-N 3.43Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.04Å; L180-I183 WeakPolarHBondContact O-CB 3.36Å; L180-I183 PolarHBondContact O-N 3.3Å; L180-I183 VanDerWaalsContact O-N 3.16Å; L180-Y184 HydrophobicContact CD1-CD2 4.16Å; L180-Y184 HydrophobicContact CD1-CE2 3.6Å; L180-Y184 HydrophobicContact CD2-CE2 4.44Å; L180-Y184 HydrophobicContact CG-CD2 4.08Å; L180-Y184 HydrophobicContact CG-CE2 3.78Å; L180-Y184 WeakPolarHBondContact O-CD2 3.37Å; L180-Y184 PolarHBondContact O-N 2.96Å |
| 181 | T | 97.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 49 Ų | 49 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -34.5 | 178.1 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | L177 T178 Y184 T185 L295 T296 F299 | L177-T181 WeakPolarHBondContact O-CB 3.34Å; L177-T181 WeakPolarHBondContact O-CG2 3.4Å; L177-T181 PolarHBondContact O-N 3.43Å; L177-T181 PolarHBondContact O-OG1 3.46Å; T178-T181 PolarHBondContact O-OG1 2.92Å; T178-T181 VanDerWaalsContact O-OG1 3.1Å; T181-Y184 PolarHBondContact O-N 2.91Å; T181-T185 WeakPolarHBondContact O-CB 3.28Å; T181-T185 PolarHBondContact O-N 2.7Å; T181-T185 PolarHBondContact O-OG1 3.46Å; T181-L295 HydrophobicContact CG2-CB 4.12Å; T181-T296 WeakPolarHBondContact CB-OG1 3.16Å; T181-T296 PolarHBondContact O-OG1 2.68Å; T181-T296 WeakPolarHBondContact OG1-CA 3.13Å; T181-T296 PolarHBondContact OG1-OG1 3.36Å; T181-F299 HydrophobicContact CG2-CD2 3.73Å; T181-F299 HydrophobicContact CG2-CE2 3.83Å |
| 182 | L | 97.1 | Very high | 96 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 171 | 177.5 | 61.2 | 0 | 0 | 0 | 112 | L143 T178 L179 L180 Y184 T185 K186 I281 T296 | L143-L182 HydrophobicContact CD2-CD2 3.68Å; T178-L182 VanDerWaalsContact O-CB 3.24Å; T178-L182 WeakPolarHBondContact O-CB 3.45Å; T178-L182 PolarHBondContact O-N 2.95Å; L179-L182 PolarHBondContact O-N 3.4Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.04Å; L182-Y184 VanDerWaalsContact C-N 3.34Å; L182-Y184 PolarHBondContact O-N 3.2Å; L182-T185 WeakPolarHBondContact O-CB 3.46Å; L182-T185 PolarHBondContact O-N 3.2Å; L182-K186 HydrophobicContact CD1-CD 4.42Å; L182-K186 HydrophobicContact CD1-CG 4.35Å; L182-K186 HydrophobicContact CG-CD 4.42Å; L182-K186 WeakPolarHBondContact O-CG 3.5Å; L182-K186 PolarHBondContact O-N 3.44Å; L182-I281 HydrophobicContact CD1-CB 4.22Å; L182-I281 HydrophobicContact CD1-CG2 3.51Å; L182-T296 HydrophobicContact CB-CG2 4Å; L182-T296 HydrophobicContact CD1-CG2 4.39Å; L182-T296 PolarHBondContact N-OG1 3.49Å |
| 183 | I | 96.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 57.3 Ų | 57.3 | 49% | 0.492 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.1 | -70.6 | 162.3 | 0 | 0 | 0 | 110.3 | L179 L180 T185 K186 R187 | L179-I183 VanDerWaalsContact O-CG1 3.28Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 3.02Å; L180-I183 WeakPolarHBondContact O-CB 3.36Å; L180-I183 PolarHBondContact O-N 3.3Å; L180-I183 VanDerWaalsContact O-N 3.16Å; I183-T185 VanDerWaalsContact C-N 3.34Å; I183-T185 PolarHBondContact O-N 3.5Å; I183-K186 PolarHBondContact O-N 2.71Å; I183-R187 WeakPolarHBondContact O-CG 3.49Å; I183-R187 PolarHBondContact O-N 3.32Å |
| 184 | Y | 95.3 | Very high | 94.3 | Very high | 102 Ų | 102 | 56.8 Ų | 56.8 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -43 | 175 | -79.4 | -76.1 | 0 | 0 | 0 | 112.1 | L180 T181 L182 K186 R187 | L180-Y184 HydrophobicContact CD1-CD2 4.16Å; L180-Y184 HydrophobicContact CD1-CE2 3.6Å; L180-Y184 HydrophobicContact CD2-CE2 4.44Å; L180-Y184 HydrophobicContact CG-CD2 4.08Å; L180-Y184 HydrophobicContact CG-CE2 3.78Å; L180-Y184 WeakPolarHBondContact O-CD2 3.37Å; L180-Y184 PolarHBondContact O-N 2.96Å; T181-Y184 PolarHBondContact O-N 2.91Å; L182-Y184 VanDerWaalsContact C-N 3.34Å; L182-Y184 PolarHBondContact O-N 3.2Å; Y184-K186 VanDerWaalsContact C-N 3.26Å; Y184-K186 PolarHBondContact O-N 2.81Å; Y184-R187 VanDerWaalsContact O-CB 3.26Å; Y184-R187 WeakPolarHBondContact O-CB 3.43Å; Y184-R187 WeakPolarHBondContact O-CG 3.49Å; Y184-R187 PolarHBondContact O-N 3Å |
| 185 | T | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -34.2 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | T181 L182 I183 R187 I281 N289 S292 F293 T296 | T181-T185 WeakPolarHBondContact O-CB 3.28Å; T181-T185 PolarHBondContact O-N 2.7Å; T181-T185 PolarHBondContact O-OG1 3.46Å; L182-T185 WeakPolarHBondContact O-CB 3.46Å; L182-T185 PolarHBondContact O-N 3.2Å; I183-T185 VanDerWaalsContact C-N 3.34Å; I183-T185 PolarHBondContact O-N 3.5Å; T185-R187 PolarHBondContact O-N 2.7Å; T185-I281 HydrophobicContact CG2-CD1 3.68Å; T185-N289 PolarHBondContact O-ND2 3.04Å; T185-S292 VanDerWaalsContact OG1-CB 3.31Å; T185-S292 WeakPolarHBondContact OG1-CB 3.2Å; T185-S292 PolarHBondContact OG1-O 3.22Å; T185-F293 HydrophobicContact CG2-CB 3.73Å; T185-F293 HydrophobicContact CG2-CD2 3.96Å; T185-F293 HydrophobicContact CG2-CG 4.35Å; T185-F293 WeakPolarHBondContact OG1-CA 3.17Å; T185-F293 PolarHBondContact OG1-N 3.17Å; T185-F293 VanDerWaalsContact OG1-N 3.15Å; T185-T296 PolarHBondContact OG1-OG1 2.85Å |
| 186 | K | 94 | Very high | 89.9 | Confident | 81 Ų | 81 | 67.5 Ų | 67.5 | 35% | 0.352 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -6 | 176.3 | -74 | -179 | 69.2 | 73.3 | 0 | 114.2 | L182 I183 Y184 I281 N283 | L182-K186 HydrophobicContact CD1-CD 4.42Å; L182-K186 HydrophobicContact CD1-CG 4.35Å; L182-K186 HydrophobicContact CG-CD 4.42Å; L182-K186 WeakPolarHBondContact O-CG 3.5Å; L182-K186 PolarHBondContact O-N 3.44Å; I183-K186 PolarHBondContact O-N 2.71Å; Y184-K186 VanDerWaalsContact C-N 3.26Å; Y184-K186 PolarHBondContact O-N 2.81Å; K186-I281 HydrophobicContact CG-CB 4.33Å; K186-I281 PolarHBondContact NZ-O 3.05Å; K186-N283 PolarHBondContact O-ND2 3.39Å |
| 187 | R | 92.1 | Very high | 87.3 | Confident | 136 Ų | 136 | 73.3 Ų | 73.3 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -70.3 | -176.9 | 172.9 | -61.7 | -174 | -177.6 | 173.6 | 4 | 110.9 | I183 Y184 T185 N283 | I183-R187 WeakPolarHBondContact O-CG 3.49Å; I183-R187 PolarHBondContact O-N 3.32Å; Y184-R187 VanDerWaalsContact O-CB 3.26Å; Y184-R187 WeakPolarHBondContact O-CB 3.43Å; Y184-R187 WeakPolarHBondContact O-CG 3.49Å; Y184-R187 PolarHBondContact O-N 3Å; T185-R187 PolarHBondContact O-N 2.7Å; R187-N283 PolarHBondContact O-ND2 3.41Å |
| 188 | D | 90.8 | Very high | 84.7 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | trans | -51.5 | 125.2 | -177.5 | -174.1 | 67.1 | 0 | 0 | 0 | 111.6 | G190 I191 A288 | D188-G190 PolarHBondContact O-N 2.89Å; D188-G190 VanDerWaalsContact OD2-CA 3.27Å; D188-G190 WeakPolarHBondContact OD2-CA 3.31Å; D188-G190 PolarHBondContact OD2-N 3.43Å; D188-I191 VanDerWaalsContact OD1-CD1 3.29Å; D188-I191 WeakPolarHBondContact OD1-CD1 3.45Å; D188-I191 VanDerWaalsContact OD1-CG1 3.25Å; D188-I191 WeakPolarHBondContact OD1-CG1 3.37Å; D188-I191 PolarHBondContact OD2-N 3.07Å; D188-A288 WeakPolarHBondContact O-CB 3.26Å | ||
| 189 | P | 94.1 | Very high | 82.2 | Confident | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.032 | 37% | 0.373 | C | S | . | . | trans | -80.1 | 2.8 | 179.7 | 33.9 | -37.9 | 0 | 0 | 0 | 113.7 | I191 V271 C284 G286 Q287 A288 | P189-I191 HydrophobicContact CG-CG1 4.15Å; P189-V271 HydrophobicContact CB-CG1 3.85Å; P189-V271 HydrophobicContact CG-CG1 4.05Å; P189-V271 HydrophobicContact CG-CG2 4.12Å; P189-C284 HydrophobicContact CB-CB 3.99Å; P189-C284 WeakPolarHBondContact CB-O 3.49Å; P189-C284 HydrophobicContact CG-CB 3.99Å; P189-G286 CarbonylContact O-C 3.58Å; P189-G286 WeakPolarHBondContact O-CA 3.46Å; P189-Q287 PolarHBondContact O-N 3.31Å; P189-A288 PolarHBondContact O-N 3.46Å | ||
| 190 | G | 93.2 | Very high | 79.3 | Confident | 5 Ų | 5 | 82 Ų | 82 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | trans | 92.5 | 60.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D188 V192 V271 L272 | D188-G190 PolarHBondContact O-N 2.89Å; D188-G190 VanDerWaalsContact OD2-CA 3.27Å; D188-G190 WeakPolarHBondContact OD2-CA 3.31Å; D188-G190 PolarHBondContact OD2-N 3.43Å; G190-V192 PolarHBondContact O-N 3.36Å; G190-V271 WeakPolarHBondContact O-CA 3.26Å; G190-L272 WeakPolarHBondContact O-CB 3.45Å; G190-L272 WeakPolarHBondContact O-CG 3.27Å; G190-L272 PolarHBondContact O-N 3.31Å | ||
| 191 | I | 92.9 | Very high | 76.6 | Confident | 62 Ų | 62 | 82.4 Ų | 82.4 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 130.9 | 178.2 | -66.2 | 172.4 | 0 | 0 | 0 | 110 | D188 P189 R193 V269 | D188-I191 VanDerWaalsContact OD1-CD1 3.29Å; D188-I191 WeakPolarHBondContact OD1-CD1 3.45Å; D188-I191 VanDerWaalsContact OD1-CG1 3.25Å; D188-I191 WeakPolarHBondContact OD1-CG1 3.37Å; D188-I191 PolarHBondContact OD2-N 3.07Å; P189-I191 HydrophobicContact CG-CG1 4.15Å; I191-R193 PolarHBondContact O-N 3.41Å; I191-V269 HydrophobicContact CD1-CG2 4.47Å; I191-V269 HydrophobicContact CG1-CG2 4.34Å; I191-V269 HydrophobicContact CG2-CB 4.4Å |
| 192 | V | 90.3 | Very high | 73.7 | Confident | 23 Ų | 23 | 85.9 Ų | 85.9 | 14% | 0.139 | 43% | 0.427 | C | S | . | . | trans | -74.1 | 111.5 | 171.9 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | G190 V255 P258 A261 C270 L272 | G190-V192 PolarHBondContact O-N 3.36Å; V192-V255 HydrophobicContact CG1-CB 4.41Å; V192-V255 HydrophobicContact CG1-CG2 4.07Å; V192-P258 HydrophobicContact CG1-CG 4.35Å; V192-P258 HydrophobicContact CG2-CG 4.47Å; V192-A261 HydrophobicContact CG2-CB 4.2Å; V192-C270 HydrophobicContact CB-CB 3.83Å; V192-C270 HydrophobicContact CG2-CB 4Å; V192-C270 PolarHBondContact N-O 3.24Å; V192-L272 HydrophobicContact CG2-CD2 3.76Å; V192-L272 HydrophobicContact CG2-CG 3.93Å | ||
| 193 | R | 85.4 | Confident | 70.8 | Confident | 196 Ų | 196 | 90.4 Ų | 90.4 | 74% | 0.74 | 46% | 0.456 | S | S | * | . | trans | -93.9 | 148.7 | 176.9 | -64.6 | -173.9 | 175.9 | 139 | 3.5 | 110.6 | I191 D195 | I191-R193 PolarHBondContact O-N 3.41Å; R193-D195 PolarHBondContact O-N 2.87Å | ||
| 194 | L | 75.7 | Confident | 67.8 | Low | 98 Ų | 98 | 90.1 Ų | 90.1 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | trans | -65.1 | 118 | 164 | -90.3 | 144.9 | 0 | 0 | 0 | 107.7 | Q196 R254 V255 | L194-Q196 PolarHBondContact O-N 3.03Å; L194-Q196 VanDerWaalsContact O-N 3.16Å; L194-R254 WeakPolarHBondContact CD2-O 3.39Å; L194-V255 HydrophobicContact CD1-CG1 4.39Å; L194-V255 HydrophobicContact CD2-CG1 4.04Å; L194-V255 HydrophobicContact CG-CG1 3.6Å | ||
| 195 | D | 59.7 | Low | 64.8 | Low | 93 Ų | 93 | 95 Ų | 95 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | trans | -74 | 102.7 | 167 | -177.9 | 10.7 | 0 | 0 | 0 | 108.6 | R193 Q197 A198 | R193-D195 PolarHBondContact O-N 2.87Å; D195-Q197 PolarHBondContact O-N 2.83Å; D195-Q197 WeakPolarHBondContact OD1-CB 3.49Å; D195-Q197 PolarHBondContact OD1-N 2.94Å; D195-A198 HydrophobicContact CB-CB 4.2Å; D195-A198 WeakPolarHBondContact OD2-CB 3.35Å; D195-A198 PolarHBondContact OD2-N 3.33Å | ||
| 196 | Q | 46.3 | Very low | 62 | Low | 158 Ų | 158 | 104 Ų | 104 | 74% | 0.738 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.2 | -18.8 | 176.2 | -97.1 | 168.6 | -49.8 | 0 | 0 | 112.8 | L194 | L194-Q196 PolarHBondContact O-N 3.03Å; L194-Q196 VanDerWaalsContact O-N 3.16Å |
| 197 | Q | 43 | Very low | 59 | Low | 158 Ų | 158 | 104.5 Ų | 104.5 | 74% | 0.738 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -78.2 | -36.1 | 178.6 | -70.2 | 178.9 | -19.1 | 0 | 0 | 111.7 | D195 V199 H200 S201 | D195-Q197 PolarHBondContact O-N 2.83Å; D195-Q197 WeakPolarHBondContact OD1-CB 3.49Å; D195-Q197 PolarHBondContact OD1-N 2.94Å; Q197-V199 PolarHBondContact O-N 3.13Å; Q197-H200 PolarHBondContact O-N 3.12Å; Q197-S201 PolarHBondContact O-OG 2.81Å |
| 198 | A | 44.8 | Very low | 56.1 | Low | 46 Ų | 46 | 102 Ų | 102 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -25.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D195 H200 T202 | D195-A198 HydrophobicContact CB-CB 4.2Å; D195-A198 WeakPolarHBondContact OD2-CB 3.35Å; D195-A198 PolarHBondContact OD2-N 3.33Å; A198-H200 VanDerWaalsContact C-N 3.34Å; A198-T202 PolarHBondContact O-N 3.17Å |
| 199 | V | 45 | Very low | 53.5 | Low | 92 Ų | 92 | 103.6 Ų | 103.6 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -74.8 | -24.7 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | Q197 | Q197-V199 PolarHBondContact O-N 3.13Å |
| 200 | H | 36.8 | Very low | 50.7 | Low | 177 Ų | 177 | 109.3 Ų | 109.3 | 82% | 0.819 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -85.6 | -17.6 | 176.7 | -92.9 | -77.8 | 0 | 0 | 0 | 114.1 | Q197 A198 | Q197-H200 PolarHBondContact O-N 3.12Å; A198-H200 VanDerWaalsContact C-N 3.34Å |
| 201 | S | 41.6 | Very low | 47.9 | Very low | 93 Ų | 93 | 116.7 Ų | 116.7 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -107.6 | -5.9 | -177.6 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | Q197 | Q197-S201 PolarHBondContact O-OG 2.81Å |
| 202 | T | 37.2 | Very low | 45.1 | Very low | 86 Ų | 86 | 123.7 Ų | 123.7 | 53% | 0.528 | 65% | 0.653 | S | S | . | * | trans | -146.6 | 92.8 | 170.3 | -44.8 | 0 | 0 | 0 | 0 | 110.9 | A198 T204 | A198-T202 PolarHBondContact O-N 3.17Å; T202-T204 HydrophobicContact CG2-CG2 4.12Å; T202-T204 WeakPolarHBondContact CG2-OG1 3.16Å; T202-T204 PolarHBondContact O-N 3.38Å | ||
| 203 | V | 36.6 | Very low | 42.2 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -70.5 | 81.7 | 160.1 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | Y205 | V203-Y205 HydrophobicContact CG1-CD2 4.06Å; V203-Y205 HydrophobicContact CG1-CE2 3.93Å | ||
| 204 | T | 32.8 | Very low | 39.8 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 55% | 0.546 | 69% | 0.688 | S | S | . | * | trans | -111 | 108 | 154.1 | 36 | 0 | 0 | 0 | 0 | 106.8 | T202 Y206 | T202-T204 HydrophobicContact CG2-CG2 4.12Å; T202-T204 WeakPolarHBondContact CG2-OG1 3.16Å; T202-T204 PolarHBondContact O-N 3.38Å; T204-Y206 PolarHBondContact O-N 3.41Å | ||
| 205 | Y | 33 | Very low | 37.6 | Very low | 206 Ų | 206 | 127 Ų | 127 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | trans | -52.6 | 100.2 | 172.3 | -81.3 | -99 | 0 | 0 | 0 | 109.9 | V203 S207 | V203-Y205 HydrophobicContact CG1-CD2 4.06Å; V203-Y205 HydrophobicContact CG1-CE2 3.93Å; Y205-S207 PolarHBondContact O-N 3.44Å; Y205-S207 VanDerWaalsContact O-N 3.13Å | ||
| 206 | Y | 36.2 | Very low | 36.2 | Very low | 187 Ų | 187 | 132 Ų | 132 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -79.4 | 81.2 | 153.9 | -77.6 | -78.9 | 0 | 0 | 0 | 107.2 | T204 A208 | T204-Y206 PolarHBondContact O-N 3.41Å; Y206-A208 PolarHBondContact O-N 3.36Å | ||
| 207 | S | 30.9 | Very low | 35.4 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 130.2 | 165.7 | -46.7 | 0 | 0 | 0 | 0 | 108.2 | Y205 | Y205-S207 PolarHBondContact O-N 3.44Å; Y205-S207 VanDerWaalsContact O-N 3.13Å |
| 208 | A | 32.1 | Very low | 34.6 | Very low | 84 Ų | 84 | 128.2 Ų | 128.2 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 135.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y206 | Y206-A208 PolarHBondContact O-N 3.36Š|
| 209 | P | 36.1 | Very low | 33.6 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 139.6 | 176.8 | 25.3 | -30.6 | 0 | 0 | 0 | 109.2 | ||
| 210 | P | 34.8 | Very low | 32.8 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 140.6 | 176.2 | 26.6 | -31.6 | 0 | 0 | 0 | 109.9 | K212 | P210-K212 PolarHBondContact O-N 3.25Š|
| 211 | D | 34.1 | Very low | 32.4 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 127.9 | 171.9 | -80.2 | -39.3 | 0 | 0 | 0 | 109.3 | D213 | D211-D213 PolarHBondContact O-N 3.34Š|
| 212 | K | 34.4 | Very low | 31.6 | Very low | 209 Ų | 209 | 139.5 Ų | 139.5 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -86.3 | 100.1 | -178 | -162.6 | 179.9 | -173.7 | -179.1 | 0 | 108.8 | P210 | P210-K212 PolarHBondContact O-N 3.25Š| ||
| 213 | D | 28.8 | Very low | 31.1 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -67.8 | 142.8 | 166.7 | -82.4 | -29.8 | 0 | 0 | 0 | 111.3 | D211 | D211-D213 PolarHBondContact O-N 3.34Š| ||
| 214 | S | 36.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -73.5 | 117.9 | 178.6 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 215 | S | 29.4 | Very low | 30.3 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -161.5 | 127.3 | 152.2 | 43.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 216 | F | 30.5 | Very low | 30 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | trans | -74.7 | 135.6 | 178.7 | -147.8 | -101.6 | 0 | 0 | 0 | 110.3 | ||||
| 217 | N | 29 | Very low | 29.5 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | -176.1 | 143 | 126.2 | -104.5 | -6.5 | 0 | 0 | 0 | 112.5 | |||||
| 218 | G | 27.2 | Very low | 29.9 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -83.8 | 172.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 219 | G | 23.4 | Very low | 29.7 | Very low | 84 Ų | 84 | 142.6 Ų | 142.6 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | 179.9 | 103 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 220 | M | 28.4 | Very low | 29.9 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 90% | 0.897 | 85% | 0.846 | S | S | * | * | trans | -74.2 | 136.8 | 177 | -175.2 | 163.9 | 76.1 | 0 | 0 | 110.5 | ||||
| 221 | Q | 27.3 | Very low | 30 | Very low | 197 Ų | 197 | 149.9 Ų | 149.9 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | -157.7 | 113 | 152.1 | -114.3 | 170.2 | 6.4 | 0 | 0 | 110.9 | ||||
| 222 | E | 24.6 | Very low | 30.2 | Very low | 182 Ų | 182 | 145 Ų | 145 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -78.8 | 146.2 | 163.2 | -74.8 | 177.4 | 133.9 | 0 | 0 | 110.4 | ||||
| 223 | A | 26.8 | Very low | 30.5 | Very low | 99 Ų | 99 | 139 Ų | 139 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | 146 | 111.9 | 122.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 224 | S | 23.3 | Very low | 31.1 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | 140.1 | 127.3 | 115.1 | -163.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 225 | M | 29.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -60.5 | 157.3 | 171.6 | -56.6 | -165.8 | 60.7 | 0 | 0 | 110.8 | ||||
| 226 | T | 27.1 | Very low | 32.2 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | 179.4 | 142.4 | 57.6 | -35.9 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 227 | A | 26.4 | Very low | 32.9 | Very low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | 172 | 113.2 | 138 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 228 | V | 38.2 | Very low | 33.7 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | trans | -69.7 | 122.3 | 169.1 | 171.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 229 | Q | 29.1 | Very low | 34.9 | Very low | 187 Ų | 187 | 130 Ų | 130 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -151.9 | 130.6 | 148.5 | -121.5 | 167.3 | -5.9 | 0 | 0 | 112 | I231 | Q229-I231 PolarHBondContact O-N 3.08Š| ||
| 230 | R | 39.6 | Very low | 36.2 | Very low | 242 Ų | 242 | 132.3 Ų | 132.3 | 91% | 0.913 | 73% | 0.727 | S | S | * | * | trans | -59.7 | 114.4 | -174.2 | -64.1 | 167.4 | -179.7 | 162.7 | -0.5 | 111.4 | ||||
| 231 | I | 36.3 | Very low | 37.5 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | trans | -130.1 | 91.9 | 156.4 | -57.5 | -179.9 | 0 | 0 | 0 | 105.6 | Q229 | Q229-I231 PolarHBondContact O-N 3.08Š| ||
| 232 | G | 39.3 | Very low | 38.6 | Very low | 59 Ų | 59 | 127.9 Ų | 127.9 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | trans | -92.7 | 149.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S234 | G232-S234 PolarHBondContact O-N 3.47Š| ||
| 233 | S | 39.8 | Very low | 40 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 57% | 0.573 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 75.3 | -49.6 | 167.1 | 73.2 | 0 | 0 | 0 | 0 | 120.2 | E237 | S233-E237 PolarHBondContact O-N 3Š|
| 234 | S | 43 | Very low | 41.4 | Very low | 86 Ų | 86 | 122 Ų | 122 | 60% | 0.601 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.6 | -42.5 | -168.8 | 173.5 | 0 | 0 | 0 | 0 | 115.2 | G232 G238 | G232-S234 PolarHBondContact O-N 3.47Å; S234-G238 PolarHBondContact O-N 3.36Å; S234-G238 VanDerWaalsContact O-N 3.14Å |
| 235 | E | 45.7 | Very low | 43 | Very low | 132 Ų | 132 | 117.5 Ų | 117.5 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.8 | -27.8 | -177.4 | -70.9 | 179.9 | 135.8 | 0 | 0 | 113 | L239 | E235-L239 WeakPolarHBondContact O-CB 3.36Å; E235-L239 WeakPolarHBondContact O-CD1 3.39Å; E235-L239 WeakPolarHBondContact O-CG 3.25Å; E235-L239 PolarHBondContact O-N 3.35Å |
| 236 | Q | 41.3 | Very low | 44.3 | Very low | 136 Ų | 136 | 119.9 Ų | 119.9 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68 | -44.5 | 172.3 | -97.3 | 176.2 | -36 | 0 | 0 | 111.3 | G238 L239 E240 | Q236-G238 VanDerWaalsContact C-N 3.33Å; Q236-G238 PolarHBondContact O-N 3.14Å; Q236-L239 PolarHBondContact O-N 3.38Å; Q236-E240 WeakPolarHBondContact O-CB 3.4Å; Q236-E240 WeakPolarHBondContact O-CG 3.44Å; Q236-E240 PolarHBondContact O-N 2.72Å |
| 237 | E | 45.6 | Very low | 46.1 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 59% | 0.589 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62 | -40.5 | 173.9 | -75.8 | -178.7 | 161.5 | 0 | 0 | 111.7 | S233 L241 | S233-E237 PolarHBondContact O-N 3Å; E237-L241 WeakPolarHBondContact O-CB 3.28Å; E237-L241 WeakPolarHBondContact O-CD1 3.42Å; E237-L241 VanDerWaalsContact O-CG 3.26Å; E237-L241 WeakPolarHBondContact O-CG 3.41Å; E237-L241 PolarHBondContact O-N 2.95Å |
| 238 | G | 46.9 | Very low | 48.7 | Very low | 34 Ų | 34 | 120.2 Ų | 120.2 | 35% | 0.351 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.4 | -35.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S234 Q236 K242 | S234-G238 PolarHBondContact O-N 3.36Å; S234-G238 VanDerWaalsContact O-N 3.14Å; Q236-G238 VanDerWaalsContact C-N 3.33Å; Q236-G238 PolarHBondContact O-N 3.14Å; G238-K242 WeakPolarHBondContact O-CB 3.39Å; G238-K242 WeakPolarHBondContact O-CG 3.49Å; G238-K242 PolarHBondContact O-N 3.39Å; G238-K242 VanDerWaalsContact O-N 3.12Å |
| 239 | L | 51.2 | Low | 51.1 | Low | 119 Ų | 119 | 118.1 Ų | 118.1 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.5 | -43 | 174.8 | -80.9 | 161.7 | 0 | 0 | 0 | 111.7 | E235 Q236 K242 E243 | E235-L239 WeakPolarHBondContact O-CB 3.36Å; E235-L239 WeakPolarHBondContact O-CD1 3.39Å; E235-L239 WeakPolarHBondContact O-CG 3.25Å; E235-L239 PolarHBondContact O-N 3.35Å; Q236-L239 PolarHBondContact O-N 3.38Å; L239-K242 PolarHBondContact O-N 3.49Å; L239-E243 WeakPolarHBondContact O-CB 3.46Å; L239-E243 PolarHBondContact O-N 3.46Å |
| 240 | E | 51.9 | Low | 54 | Low | 133 Ų | 133 | 109.7 Ų | 109.7 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 175.9 | -73.1 | -170.9 | 166.1 | 0 | 0 | 112.2 | Q236 E243 S244 | Q236-E240 WeakPolarHBondContact O-CB 3.4Å; Q236-E240 WeakPolarHBondContact O-CG 3.44Å; Q236-E240 PolarHBondContact O-N 2.72Å; E240-E243 PolarHBondContact O-N 2.84Å; E240-S244 WeakPolarHBondContact O-CB 3.24Å; E240-S244 PolarHBondContact O-N 2.97Å |
| 241 | L | 54.8 | Low | 56.4 | Low | 128 Ų | 128 | 102.6 Ų | 102.6 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 172.4 | -80.3 | 162.3 | 0 | 0 | 0 | 112 | E237 G245 | E237-L241 WeakPolarHBondContact O-CB 3.28Å; E237-L241 WeakPolarHBondContact O-CD1 3.42Å; E237-L241 VanDerWaalsContact O-CG 3.26Å; E237-L241 WeakPolarHBondContact O-CG 3.41Å; E237-L241 PolarHBondContact O-N 2.95Å; L241-G245 PolarHBondContact O-N 3.18Å |
| 242 | K | 50.8 | Low | 59 | Low | 158 Ų | 158 | 100.5 Ų | 100.5 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67 | -39.1 | 175 | -89.2 | 178.2 | 174.8 | 172.9 | 0 | 112.6 | G238 L239 R246 | G238-K242 WeakPolarHBondContact O-CB 3.39Å; G238-K242 WeakPolarHBondContact O-CG 3.49Å; G238-K242 PolarHBondContact O-N 3.39Å; G238-K242 VanDerWaalsContact O-N 3.12Å; L239-K242 PolarHBondContact O-N 3.49Å; K242-R246 WeakPolarHBondContact O-CG 3.34Å; K242-R246 PolarHBondContact O-N 3.41Å; K242-R246 VanDerWaalsContact O-N 3.11Å |
| 243 | E | 53.9 | Low | 61.3 | Low | 102 Ų | 102 | 98.9 Ų | 98.9 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.4 | -41.7 | 176.9 | -121.1 | -163.2 | 132.1 | 0 | 0 | 112.1 | L239 E240 R246 R247 | L239-E243 WeakPolarHBondContact O-CB 3.46Å; L239-E243 PolarHBondContact O-N 3.46Å; E240-E243 PolarHBondContact O-N 2.84Å; E243-R246 PolarHBondContact O-N 3.31Å; E243-R247 WeakPolarHBondContact O-CG 3.49Å; E243-R247 PolarHBondContact O-N 3.5Å; E243-R247 IonicContact OE1-CZ 3.99Å; E243-R247 IonicContact OE1-NE 3.89Å; E243-R247 IonicContact OE1-NH2 3.63Å; E243-R247 PolarHBondContact OE1-NH2 3.35Å; E243-R247 IonicContact OE2-NH2 2.73Å |
| 244 | S | 55.8 | Low | 63.7 | Low | 56 Ų | 56 | 103.5 Ų | 103.5 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | E240 R246 R247 N248 | E240-S244 WeakPolarHBondContact O-CB 3.24Å; E240-S244 PolarHBondContact O-N 2.97Å; S244-R246 VanDerWaalsContact C-N 3.35Å; S244-R246 PolarHBondContact O-N 3.05Å; S244-R247 PolarHBondContact O-N 3.3Å; S244-N248 WeakPolarHBondContact O-CB 3.4Å; S244-N248 PolarHBondContact O-N 3.05Å; S244-N248 PolarHBondContact O-ND2 3.04Å; S244-N248 PolarHBondContact OG-ND2 2.69Å |
| 245 | G | 56.8 | Low | 65.8 | Low | 25 Ų | 25 | 100 Ų | 100 | 26% | 0.258 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | L241 N248 W249 | L241-G245 PolarHBondContact O-N 3.18Å; G245-N248 PolarHBondContact O-N 2.99Å; G245-W249 PolarHBondContact O-N 2.91Å |
| 246 | R | 57.4 | Low | 67.9 | Low | 210 Ų | 210 | 97.1 Ų | 97.1 | 79% | 0.792 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | 174.3 | -84.4 | 177.6 | 164.2 | 171.2 | -4 | 113 | K242 E243 S244 N248 | K242-R246 WeakPolarHBondContact O-CG 3.34Å; K242-R246 PolarHBondContact O-N 3.41Å; K242-R246 VanDerWaalsContact O-N 3.11Å; E243-R246 PolarHBondContact O-N 3.31Å; S244-R246 VanDerWaalsContact C-N 3.35Å; S244-R246 PolarHBondContact O-N 3.05Å; R246-N248 VanDerWaalsContact C-N 3.33Å |
| 247 | R | 63.7 | Low | 70.1 | Confident | 175 Ų | 175 | 92.9 Ų | 92.9 | 66% | 0.66 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -71.3 | -27 | 178.1 | -69.1 | 177.5 | -168.5 | -178.9 | 6.6 | 112.9 | E243 S244 R257 | E243-R247 WeakPolarHBondContact O-CG 3.49Å; E243-R247 PolarHBondContact O-N 3.5Å; E243-R247 IonicContact OE1-CZ 3.99Å; E243-R247 IonicContact OE1-NE 3.89Å; E243-R247 IonicContact OE1-NH2 3.63Å; E243-R247 PolarHBondContact OE1-NH2 3.35Å; E243-R247 IonicContact OE2-NH2 2.73Å; S244-R247 PolarHBondContact O-N 3.3Å; R247-R257 PolarHBondContact O-NH2 3.27Å; R247-R257 VanDerWaalsContact O-NH2 3.15Å |
| 248 | N | 82.1 | Confident | 72.3 | Confident | 55 Ų | 55 | 89.2 Ų | 89.2 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -94.8 | -4.4 | -176.8 | -68.9 | -36 | 0 | 0 | 0 | 114.6 | S244 G245 R246 V256 R257 | S244-N248 WeakPolarHBondContact O-CB 3.4Å; S244-N248 PolarHBondContact O-N 3.05Å; S244-N248 PolarHBondContact O-ND2 3.04Å; S244-N248 PolarHBondContact OG-ND2 2.69Å; G245-N248 PolarHBondContact O-N 2.99Å; R246-N248 VanDerWaalsContact C-N 3.33Å; N248-V256 HydrophobicContact CB-CG1 4.49Å; N248-R257 HydrophobicContact CB-CB 4.46Å; N248-R257 VanDerWaalsContact O-CB 3.22Å; N248-R257 WeakPolarHBondContact O-CB 3.31Å; N248-R257 WeakPolarHBondContact O-CG 3.45Å; N248-R257 PolarHBondContact O-N 2.95Å; N248-R257 PolarHBondContact O-NE 3.49Å |
| 249 | W | 88.3 | Confident | 74.3 | Confident | 96 Ų | 96 | 93.3 Ų | 93.3 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 140.8 | 171.6 | -177.6 | -111.2 | 0 | 0 | 0 | 112 | G245 R254 V255 V256 R257 | G245-W249 PolarHBondContact O-N 2.91Å; W249-R254 HydrophobicContact CH2-CB 4.02Å; W249-R254 WeakPolarHBondContact CH2-O 3.19Å; W249-R254 HydrophobicContact CZ2-CB 3.97Å; W249-R254 HydrophobicContact CZ2-CG 4.48Å; W249-V255 VanDerWaalsContact CE3-C 3.46Å; W249-V256 HydrophobicContact CE3-CG2 3.8Å; W249-V256 HydrophobicContact CZ3-CG2 4.16Å; W249-R257 PolarHBondContact O-NH2 3.16Å |
| 250 | C | 90.3 | Very high | 76.2 | Confident | 9 Ų | 9 | 89.6 Ų | 89.6 | 6% | 0.061 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113.4 | 169.7 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | V252 C253 R254 V255 R257 H263 C270 | C250-V252 VanDerWaalsContact C-N 3.3Å; C250-V252 PolarHBondContact O-N 3.34Å; C250-C253 HydrophobicContact CB-CB 4.31Å; C250-C253 PolarHBondContact SG-N 3.39Å; C250-R254 WeakPolarHBondContact O-CA 3.37Å; C250-R254 PolarHBondContact O-N 2.88Å; C250-V255 HydrophobicContact CB-CG2 4.37Å; C250-V255 PolarHBondContact N-O 2.96Å; C250-R257 HydrophobicContact CB-CG 4.16Å; C250-H263 PolarHBondContact SG-ND1 3.17Å; C250-H263 VanDerWaalsContact SG-ND1 3.41Å; C250-C270 VanDerWaalsContact SG-SG 3.61Å |
| 251 | S | 90.4 | Very high | 78.2 | Confident | 94 Ų | 94 | 83.5 Ų | 83.5 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -31.5 | 179.8 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 252 | V | 89.2 | Confident | 80.1 | Confident | 95 Ų | 95 | 77.4 Ų | 77.4 | 58% | 0.576 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -53.5 | -179.5 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | C250 | C250-V252 VanDerWaalsContact C-N 3.3Å; C250-V252 PolarHBondContact O-N 3.34Å |
| 253 | C | 88.8 | Confident | 82.1 | Confident | 25 Ų | 25 | 72 Ų | 72 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.7 | -177.2 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | C250 V255 H263 C270 | C250-C253 HydrophobicContact CB-CB 4.31Å; C250-C253 PolarHBondContact SG-N 3.39Å; C253-V255 VanDerWaalsContact C-N 3.3Å; C253-V255 HydrophobicContact CB-CG2 3.79Å; C253-V255 PolarHBondContact O-N 3.36Å; C253-H263 VanDerWaalsContact SG-CE1 3.58Å; C253-H263 PolarHBondContact SG-ND1 3.41Å; C253-C270 PolarHBondContact SG-N 2.89Å; C253-C270 VanDerWaalsContact SG-N 3.41Å |
| 254 | R | 89.9 | Confident | 84 | Confident | 180 Ų | 180 | 67.6 Ų | 67.6 | 68% | 0.679 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 42.5 | -175.4 | -55.1 | -179.3 | -178.1 | -174.5 | -0.2 | 113.3 | L194 W249 C250 | L194-R254 WeakPolarHBondContact CD2-O 3.39Å; W249-R254 HydrophobicContact CH2-CB 4.02Å; W249-R254 WeakPolarHBondContact CH2-O 3.19Å; W249-R254 HydrophobicContact CZ2-CB 3.97Å; W249-R254 HydrophobicContact CZ2-CG 4.48Å; C250-R254 WeakPolarHBondContact O-CA 3.37Å; C250-R254 PolarHBondContact O-N 2.88Å |
| 255 | V | 87.1 | Confident | 85.6 | Confident | 12 Ų | 12 | 76 Ų | 76 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 147.2 | 176.9 | -65.4 | 0 | 0 | 0 | 0 | 111 | V192 L194 W249 C250 C253 R257 C270 | V192-V255 HydrophobicContact CG1-CB 4.41Å; V192-V255 HydrophobicContact CG1-CG2 4.07Å; L194-V255 HydrophobicContact CD1-CG1 4.39Å; L194-V255 HydrophobicContact CD2-CG1 4.04Å; L194-V255 HydrophobicContact CG-CG1 3.6Å; W249-V255 VanDerWaalsContact CE3-C 3.46Å; C250-V255 HydrophobicContact CB-CG2 4.37Å; C250-V255 PolarHBondContact N-O 2.96Å; C253-V255 VanDerWaalsContact C-N 3.3Å; C253-V255 HydrophobicContact CB-CG2 3.79Å; C253-V255 PolarHBondContact O-N 3.36Å; V255-R257 PolarHBondContact O-N 3.18Å; V255-C270 HydrophobicContact CG2-CB 4.28Å |
| 256 | V | 88.9 | Confident | 87.1 | Confident | 71 Ų | 71 | 76.4 Ų | 76.4 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 117.1 | 161.4 | -178.1 | 0 | 0 | 0 | 0 | 107 | N248 W249 P258 | N248-V256 HydrophobicContact CB-CG1 4.49Å; W249-V256 HydrophobicContact CE3-CG2 3.8Å; W249-V256 HydrophobicContact CZ3-CG2 4.16Å; V256-P258 WeakPolarHBondContact O-CD 3.39Å |
| 257 | R | 88.9 | Confident | 88.7 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 18% | 0.181 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 126.5 | -178.3 | -72 | 174.4 | -77 | 155.3 | -5.6 | 109.9 | R247 N248 W249 C250 V255 A261 | R247-R257 PolarHBondContact O-NH2 3.27Å; R247-R257 VanDerWaalsContact O-NH2 3.15Å; N248-R257 HydrophobicContact CB-CB 4.46Å; N248-R257 VanDerWaalsContact O-CB 3.22Å; N248-R257 WeakPolarHBondContact O-CB 3.31Å; N248-R257 WeakPolarHBondContact O-CG 3.45Å; N248-R257 PolarHBondContact O-N 2.95Å; N248-R257 PolarHBondContact O-NE 3.49Å; W249-R257 PolarHBondContact O-NH2 3.16Å; C250-R257 HydrophobicContact CB-CG 4.16Å; V255-R257 PolarHBondContact O-N 3.18Å; R257-A261 HydrophobicContact CB-CB 4.24Å |
| 258 | P | 90.6 | Very high | 90 | Very high | 48 Ų | 48 | 61.1 Ų | 61.1 | 31% | 0.312 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 160.9 | 168.3 | -25.2 | 35.5 | 0 | 0 | 0 | 111.4 | V192 V256 R260 A261 L272 | V192-P258 HydrophobicContact CG1-CG 4.35Å; V192-P258 HydrophobicContact CG2-CG 4.47Å; V256-P258 WeakPolarHBondContact O-CD 3.39Å; P258-R260 PolarHBondContact O-N 3.45Å; P258-A261 HydrophobicContact CB-CB 4.41Å; P258-A261 VanDerWaalsContact O-CB 3.22Å; P258-A261 WeakPolarHBondContact O-CB 3.47Å; P258-A261 PolarHBondContact O-N 3.35Å; P258-L272 HydrophobicContact CB-CD2 4.04Å; P258-L272 HydrophobicContact CG-CD2 3.88Å |
| 259 | P | 89.6 | Confident | 90.5 | Very high | 120 Ų | 120 | 60.5 Ų | 60.5 | 78% | 0.779 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 137.1 | 174.6 | -27.4 | 35.2 | 0 | 0 | 0 | 111.8 | A261 | P259-A261 PolarHBondContact O-N 2.89Š|
| 260 | R | 91.9 | Very high | 90.8 | Very high | 41 Ų | 41 | 56 Ų | 56 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -1.6 | -178.8 | -47.9 | 179.9 | 67.8 | 177.1 | 9.3 | 115.7 | P258 R273 N368 E373 | P258-R260 PolarHBondContact O-N 3.45Å; R260-R273 WeakPolarHBondContact O-CA 3.24Å; R260-N368 PolarHBondContact NH1-OD1 3.48Å; R260-N368 PolarHBondContact NH2-O 2.99Å; R260-N368 PolarHBondContact NH2-OD1 2.9Å; R260-E373 WeakPolarHBondContact CG-OE1 3.29Å; R260-E373 IonicContact CZ-OE1 3.4Å; R260-E373 IonicContact CZ-OE2 2.83Å; R260-E373 IonicContact NE-OE1 3.98Å; R260-E373 PolarHBondContact NE-OE1 2.79Å; R260-E373 IonicContact NE-OE2 3.54Å; R260-E373 IonicContact NH2-OE1 2.79Å; R260-E373 PolarHBondContact NH2-OE1 2.87Å; R260-E373 IonicContact NH2-OE2 3.74Å; R260-E373 PolarHBondContact NH2-OE2 2.89Å |
| 261 | A | 93.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | trans | -72.4 | 145.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V192 R257 P258 P259 V271 L272 | V192-A261 HydrophobicContact CG2-CB 4.2Å; R257-A261 HydrophobicContact CB-CB 4.24Å; P258-A261 HydrophobicContact CB-CB 4.41Å; P258-A261 VanDerWaalsContact O-CB 3.22Å; P258-A261 WeakPolarHBondContact O-CB 3.47Å; P258-A261 PolarHBondContact O-N 3.35Å; P259-A261 PolarHBondContact O-N 2.89Å; A261-V271 VanDerWaalsContact CA-O 3.26Å; A261-V271 WeakPolarHBondContact CA-O 3.36Å; A261-V271 WeakPolarHBondContact CB-O 3.29Å; A261-L272 HydrophobicContact CB-CD2 4.48Å | ||
| 262 | G | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C270 V271 | G262-C270 WeakPolarHBondContact O-CA 3.48Å; G262-V271 PolarHBondContact N-O 3.09Å; G262-V271 PolarHBondContact O-N 3.04Å |
| 263 | H | 93.9 | Very high | 91.6 | Very high | 45 Ų | 45 | 48.7 Ų | 48.7 | 21% | 0.208 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.5 | 170.4 | -177 | 86.5 | 0 | 0 | 0 | 110 | C250 C253 | C250-H263 PolarHBondContact SG-ND1 3.17Å; C250-H263 VanDerWaalsContact SG-ND1 3.41Å; C253-H263 VanDerWaalsContact SG-CE1 3.58Å; C253-H263 PolarHBondContact SG-ND1 3.41Å |
| 264 | C | 93.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 112.9 | 172.2 | 179 | 0 | 0 | 0 | 0 | 109.7 | L266 C267 G268 V269 L274 C284 | C264-L266 VanDerWaalsContact C-N 3.26Å; C264-L266 PolarHBondContact O-N 3.18Å; C264-C267 HydrophobicContact CB-CB 4.15Å; C264-C267 PolarHBondContact O-N 3.06Å; C264-C267 PolarHBondContact SG-N 3.44Å; C264-C267 VanDerWaalsContact SG-N 3.44Å; C264-G268 WeakPolarHBondContact O-CA 3.29Å; C264-G268 PolarHBondContact O-N 2.94Å; C264-V269 PolarHBondContact N-O 2.87Å; C264-L274 HydrophobicContact CB-CD2 4.31Å; C264-C284 WeakPolarHBondContact CB-SG 3.44Å; C264-C284 PolarHBondContact SG-SG 3.34Å |
| 265 | R | 89.9 | Confident | 92.3 | Very high | 231 Ų | 231 | 39.4 Ų | 39.4 | 87% | 0.872 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29 | 179.7 | -62.7 | 178.1 | -177.8 | 173.7 | -2.3 | 113.5 | ||
| 266 | L | 88.4 | Confident | 92.7 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -39.3 | 179.4 | -67.3 | 172 | 0 | 0 | 0 | 112 | R134 C264 H277 | R134-L266 WeakPolarHBondContact CD-O 3.39Å; R134-L266 WeakPolarHBondContact CG-O 3.49Å; C264-L266 VanDerWaalsContact C-N 3.26Å; C264-L266 PolarHBondContact O-N 3.18Å; L266-H277 HydrophobicContact CD1-CB 4.11Å; L266-H277 WeakPolarHBondContact CD1-CD2 3.25Å |
| 267 | C | 90.3 | Very high | 93 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 19% | 0.189 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -17.7 | 176.9 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | C264 V269 H277 | C264-C267 HydrophobicContact CB-CB 4.15Å; C264-C267 PolarHBondContact O-N 3.06Å; C264-C267 PolarHBondContact SG-N 3.44Å; C264-C267 VanDerWaalsContact SG-N 3.44Å; C267-V269 VanDerWaalsContact C-N 3.26Å; C267-V269 HydrophobicContact CB-CG2 3.74Å; C267-V269 PolarHBondContact O-N 3.04Å; C267-H277 PolarHBondContact SG-CE1 3.03Å; C267-H277 PolarHBondContact SG-ND1 3.34Å |
| 268 | G | 91.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 36 Ų | 36 | 36% | 0.361 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 18.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C264 | C264-G268 WeakPolarHBondContact O-CA 3.29Å; C264-G268 PolarHBondContact O-N 2.94Å |
| 269 | V | 92.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 35 Ų | 35 | 26% | 0.255 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 155.8 | -174.1 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | I191 C264 C267 V271 | I191-V269 HydrophobicContact CD1-CG2 4.47Å; I191-V269 HydrophobicContact CG1-CG2 4.34Å; I191-V269 HydrophobicContact CG2-CB 4.4Å; C264-V269 PolarHBondContact N-O 2.87Å; C267-V269 VanDerWaalsContact C-N 3.26Å; C267-V269 HydrophobicContact CB-CG2 3.74Å; C267-V269 PolarHBondContact O-N 3.04Å; V269-V271 HydrophobicContact CG2-CG2 4.12Å |
| 270 | C | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 135.5 | 169.5 | -76.6 | 0 | 0 | 0 | 0 | 110.2 | V192 C250 C253 V255 G262 | V192-C270 HydrophobicContact CB-CB 3.83Å; V192-C270 HydrophobicContact CG2-CB 4Å; V192-C270 PolarHBondContact N-O 3.24Å; C250-C270 VanDerWaalsContact SG-SG 3.61Å; C253-C270 PolarHBondContact SG-N 2.89Å; C253-C270 VanDerWaalsContact SG-N 3.41Å; V255-C270 HydrophobicContact CG2-CB 4.28Å; G262-C270 WeakPolarHBondContact O-CA 3.48Å |
| 271 | V | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.4 | -177.2 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | P189 G190 A261 G262 V269 L274 C284 | P189-V271 HydrophobicContact CB-CG1 3.85Å; P189-V271 HydrophobicContact CG-CG1 4.05Å; P189-V271 HydrophobicContact CG-CG2 4.12Å; G190-V271 WeakPolarHBondContact O-CA 3.26Å; A261-V271 VanDerWaalsContact CA-O 3.26Å; A261-V271 WeakPolarHBondContact CA-O 3.36Å; A261-V271 WeakPolarHBondContact CB-O 3.29Å; G262-V271 PolarHBondContact N-O 3.09Å; G262-V271 PolarHBondContact O-N 3.04Å; V269-V271 HydrophobicContact CG2-CG2 4.12Å; V271-L274 HydrophobicContact CB-CB 4.19Å; V271-L274 HydrophobicContact CB-CD1 4.06Å; V271-L274 HydrophobicContact CG1-CB 4.49Å; V271-L274 HydrophobicContact CG1-CD1 4.25Å; V271-L274 HydrophobicContact CG2-CD1 4.48Å; V271-C284 HydrophobicContact CG1-CB 4.47Å; V271-C284 HydrophobicContact CG2-CB 4.04Å |
| 272 | L | 94.8 | Very high | 93.6 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 18% | 0.183 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 134.2 | 175 | -67.8 | 173.8 | 0 | 0 | 0 | 110.6 | G190 V192 P258 A261 L274 Q287 L415 | G190-L272 WeakPolarHBondContact O-CB 3.45Å; G190-L272 WeakPolarHBondContact O-CG 3.27Å; G190-L272 PolarHBondContact O-N 3.31Å; V192-L272 HydrophobicContact CG2-CD2 3.76Å; V192-L272 HydrophobicContact CG2-CG 3.93Å; P258-L272 HydrophobicContact CB-CD2 4.04Å; P258-L272 HydrophobicContact CG-CD2 3.88Å; A261-L272 HydrophobicContact CB-CD2 4.48Å; L272-L274 PolarHBondContact O-N 3.48Å; L272-Q287 HydrophobicContact CB-CB 4Å; L272-Q287 PolarHBondContact O-N 3.17Å; L272-L415 HydrophobicContact CD1-CD2 3.7Å |
| 273 | R | 94.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 4% | 0.038 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.3 | 52.2 | -177 | -162 | -177.3 | 175.3 | -86.9 | 3.9 | 111.9 | R260 D275 Q287 H290 N368 T370 M411 | R260-R273 WeakPolarHBondContact O-CA 3.24Å; R273-D275 PolarHBondContact O-N 3.47Å; R273-D275 VanDerWaalsContact O-N 3.14Å; R273-Q287 HydrophobicContact CB-CB 3.93Å; R273-H290 PolarHBondContact NH1-ND1 3.1Å; R273-N368 PolarHBondContact NH2-OD1 3.35Å; R273-N368 VanDerWaalsContact NH2-OD1 3.12Å; R273-T370 HydrophobicContact CG-CG2 3.84Å; R273-M411 WeakPolarHBondContact CD-SD 3.35Å |
| 274 | L | 96.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | trans | -60.1 | 116.1 | -175.1 | 173.9 | 62 | 0 | 0 | 0 | 110.2 | C264 V271 L272 C284 R372 | C264-L274 HydrophobicContact CB-CD2 4.31Å; V271-L274 HydrophobicContact CB-CB 4.19Å; V271-L274 HydrophobicContact CB-CD1 4.06Å; V271-L274 HydrophobicContact CG1-CB 4.49Å; V271-L274 HydrophobicContact CG1-CD1 4.25Å; V271-L274 HydrophobicContact CG2-CD1 4.48Å; L272-L274 PolarHBondContact O-N 3.48Å; L274-C284 HydrophobicContact CD1-CB 4.14Å; L274-R372 WeakPolarHBondContact O-CB 3.44Å | ||
| 275 | D | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -82.8 | -65.5 | 175.4 | -165.6 | 65.4 | 0 | 0 | 0 | 110.8 | R273 V285 H290 Q361 T370 E371 R372 | R273-D275 PolarHBondContact O-N 3.47Å; R273-D275 VanDerWaalsContact O-N 3.14Å; D275-V285 HydrophobicContact CB-CB 4.33Å; D275-V285 HydrophobicContact CB-CG1 4.22Å; D275-V285 WeakPolarHBondContact CB-O 3.31Å; D275-V285 PolarHBondContact N-O 3.41Å; D275-H290 VanDerWaalsContact CG-CE1 3.45Å; D275-H290 IonicContact OD1-CE1 3.72Å; D275-H290 IonicContact OD2-CE1 3.84Å; D275-Q361 PolarHBondContact OD2-NE2 3.09Å; D275-T370 WeakPolarHBondContact OD1-CA 3.34Å; D275-T370 VanDerWaalsContact OD1-CB 3.3Å; D275-T370 WeakPolarHBondContact OD1-CB 3.46Å; D275-E371 PolarHBondContact OD1-N 3.06Å; D275-R372 WeakPolarHBondContact O-CB 3.48Å; D275-R372 PolarHBondContact O-N 2.8Å | ||
| 276 | H | 95.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 20.7 Ų | 20.7 | 9% | 0.093 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 169.9 | 175.6 | 63.2 | -76.7 | 0 | 0 | 0 | 111.2 | C278 V285 F293 E371 | H276-C278 WeakPolarHBondContact NE2-CB 3.29Å; H276-V285 PolarHBondContact O-N 3.26Å; H276-F293 AromaticContact CE1-CE1 3.8Å; H276-F293 AromaticContact CE1-CZ 3.83Å; H276-F293 AromaticContact NE2-CZ 3.87Å; H276-E371 WeakPolarHBondContact CB-OE2 3.32Å; H276-E371 IonicContact CD2-OE2 3.1Å; H276-E371 IonicContact CG-OE2 3.63Å; H276-E371 IonicContact ND1-OE2 3.54Å; H276-E371 PolarHBondContact ND1-OE2 3.34Å |
| 277 | H | 94.9 | Very high | 94.6 | Very high | 32 Ų | 32 | 21 Ų | 21 | 15% | 0.148 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 117.2 | 161.8 | -178.8 | 93 | 0 | 0 | 0 | 108.1 | L266 C267 | L266-H277 HydrophobicContact CD1-CB 4.11Å; L266-H277 WeakPolarHBondContact CD1-CD2 3.25Å; C267-H277 PolarHBondContact SG-CE1 3.03Å; C267-H277 PolarHBondContact SG-ND1 3.34Å |
| 278 | C | 94.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 112.3 | -178.6 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | H276 W280 I281 N282 N283 V285 | H276-C278 WeakPolarHBondContact NE2-CB 3.29Å; C278-W280 VanDerWaalsContact C-N 3.25Å; C278-W280 PolarHBondContact O-N 2.97Å; C278-I281 HydrophobicContact CB-CD1 3.91Å; C278-I281 HydrophobicContact CB-CG1 3.63Å; C278-I281 PolarHBondContact O-N 3.37Å; C278-N282 WeakPolarHBondContact O-CA 3.47Å; C278-N282 PolarHBondContact O-N 3.32Å; C278-N283 PolarHBondContact N-O 3.47Å; C278-N283 PolarHBondContact O-N 3.12Å; C278-V285 HydrophobicContact CB-CG2 4.11Å |
| 279 | V | 92.1 | Very high | 95 | Very high | 26 Ų | 26 | 20 Ų | 20 | 16% | 0.158 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -32.2 | 178.9 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | Y125 F138 I281 N282 | Y125-V279 HydrophobicContact CD2-CG1 4.37Å; Y125-V279 HydrophobicContact CD2-CG2 4.21Å; Y125-V279 HydrophobicContact CE2-CG1 3.86Å; Y125-V279 HydrophobicContact CE2-CG2 4.14Å; F138-V279 HydrophobicContact CB-CB 4.37Å; F138-V279 HydrophobicContact CB-CG2 4.33Å; F138-V279 WeakPolarHBondContact CB-O 3.22Å; F138-V279 HydrophobicContact CD1-CG2 4.29Å; F138-V279 HydrophobicContact CD2-CB 3.89Å; F138-V279 HydrophobicContact CD2-CG2 4.05Å; F138-V279 HydrophobicContact CG-CB 4.15Å; F138-V279 HydrophobicContact CG-CG2 3.94Å; V279-I281 VanDerWaalsContact C-N 3.29Å; V279-I281 PolarHBondContact O-N 2.93Å; V279-N282 PolarHBondContact O-N 3.47Å; V279-N282 VanDerWaalsContact O-N 3.14Å |
| 280 | W | 93.5 | Very high | 95.3 | Very high | 104 Ų | 104 | 18.1 Ų | 18.1 | 39% | 0.394 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.3 | -179.7 | -60.1 | 103.9 | 0 | 0 | 0 | 113.7 | V121 F138 L139 L141 A142 C278 | V121-W280 HydrophobicContact CG1-CH2 3.96Å; V121-W280 HydrophobicContact CG1-CZ2 4.4Å; F138-W280 HydrophobicContact CB-CD2 4.19Å; F138-W280 HydrophobicContact CB-CE3 3.86Å; F138-W280 HydrophobicContact CB-CZ3 4.33Å; F138-W280 HydrophobicContact CD1-CD2 4.29Å; F138-W280 HydrophobicContact CD1-CE3 4.12Å; F138-W280 AromaticContact CD1-CH2 3.88Å; F138-W280 HydrophobicContact CD1-CH2 3.88Å; F138-W280 HydrophobicContact CD1-CZ2 4.03Å; F138-W280 AromaticContact CD1-CZ3 3.92Å; F138-W280 HydrophobicContact CD1-CZ3 3.92Å; F138-W280 HydrophobicContact CG-CE3 4.5Å; L139-W280 VanDerWaalsContact CA-O 3.31Å; L139-W280 WeakPolarHBondContact CA-O 3.29Å; L139-W280 WeakPolarHBondContact CD1-O 3.43Å; L141-W280 HydrophobicContact CD2-CH2 4.39Å; L141-W280 HydrophobicContact CD2-CZ3 4.08Å; A142-W280 HydrophobicContact CB-CE3 4.39Å; C278-W280 VanDerWaalsContact C-N 3.25Å; C278-W280 PolarHBondContact O-N 2.97Å |
| 281 | I | 94.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 19.7 Ų | 19.7 | 5% | 0.046 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -3.5 | 172.5 | 69 | 175.4 | 0 | 0 | 0 | 112.3 | L182 T185 K186 C278 V279 N283 V285 F293 | L182-I281 HydrophobicContact CD1-CB 4.22Å; L182-I281 HydrophobicContact CD1-CG2 3.51Å; T185-I281 HydrophobicContact CG2-CD1 3.68Å; K186-I281 HydrophobicContact CG-CB 4.33Å; K186-I281 PolarHBondContact NZ-O 3.05Å; C278-I281 HydrophobicContact CB-CD1 3.91Å; C278-I281 HydrophobicContact CB-CG1 3.63Å; C278-I281 PolarHBondContact O-N 3.37Å; V279-I281 VanDerWaalsContact C-N 3.29Å; V279-I281 PolarHBondContact O-N 2.93Å; I281-N283 HydrophobicContact CD1-CB 4.01Å; I281-N283 HydrophobicContact CG1-CB 3.95Å; I281-N283 PolarHBondContact O-N 2.84Å; I281-V285 HydrophobicContact CD1-CG2 3.9Å; I281-F293 HydrophobicContact CD1-CD2 4.47Å |
| 282 | N | 92.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 21 Ų | 21 | 8% | 0.08 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 45 | -171.1 | -172.2 | 16.3 | 0 | 0 | 0 | 112.7 | R134 L136 L139 C278 V279 | R134-N282 PolarHBondContact NE-OD1 2.84Å; R134-N282 VanDerWaalsContact NE-OD1 3.08Å; R134-N282 PolarHBondContact NH2-O 2.88Å; R134-N282 PolarHBondContact NH2-OD1 3.49Å; L136-N282 VanDerWaalsContact CD2-ND2 3.27Å; L136-N282 WeakPolarHBondContact CD2-ND2 3.42Å; L139-N282 HydrophobicContact CD2-CB 4.36Å; C278-N282 WeakPolarHBondContact O-CA 3.47Å; C278-N282 PolarHBondContact O-N 3.32Å; V279-N282 PolarHBondContact O-N 3.47Å; V279-N282 VanDerWaalsContact O-N 3.14Å |
| 283 | N | 94.4 | Very high | 95.5 | Very high | 23 Ų | 23 | 20 Ų | 20 | 12% | 0.123 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 162.2 | -178.9 | -162.7 | 18.8 | 0 | 0 | 0 | 110.8 | K186 R187 C278 I281 | K186-N283 PolarHBondContact O-ND2 3.39Å; R187-N283 PolarHBondContact O-ND2 3.41Å; C278-N283 PolarHBondContact N-O 3.47Å; C278-N283 PolarHBondContact O-N 3.12Å; I281-N283 HydrophobicContact CD1-CB 4.01Å; I281-N283 HydrophobicContact CG1-CB 3.95Å; I281-N283 PolarHBondContact O-N 2.84Å |
| 284 | C | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 148.1 | 169.1 | -76.2 | 0 | 0 | 0 | 0 | 111.5 | P189 C264 V271 L274 N289 | P189-C284 HydrophobicContact CB-CB 3.99Å; P189-C284 WeakPolarHBondContact CB-O 3.49Å; P189-C284 HydrophobicContact CG-CB 3.99Å; C264-C284 WeakPolarHBondContact CB-SG 3.44Å; C264-C284 PolarHBondContact SG-SG 3.34Å; V271-C284 HydrophobicContact CG1-CB 4.47Å; V271-C284 HydrophobicContact CG2-CB 4.04Å; L274-C284 HydrophobicContact CD1-CB 4.14Å; C284-N289 PolarHBondContact O-ND2 2.91Å |
| 285 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.9 | 162.8 | -177.1 | 0 | 0 | 0 | 0 | 106.9 | D275 H276 C278 I281 N289 H290 F293 | D275-V285 HydrophobicContact CB-CB 4.33Å; D275-V285 HydrophobicContact CB-CG1 4.22Å; D275-V285 WeakPolarHBondContact CB-O 3.31Å; D275-V285 PolarHBondContact N-O 3.41Å; H276-V285 PolarHBondContact O-N 3.26Å; C278-V285 HydrophobicContact CB-CG2 4.11Å; I281-V285 HydrophobicContact CD1-CG2 3.9Å; V285-N289 WeakPolarHBondContact CA-OD1 3.47Å; V285-H290 HydrophobicContact CG1-CB 4.24Å; V285-F293 HydrophobicContact CG1-CB 4.02Å; V285-F293 HydrophobicContact CG1-CD1 3.99Å; V285-F293 HydrophobicContact CG1-CG 4.02Å; V285-F293 HydrophobicContact CG2-CB 4.33Å; V285-F293 HydrophobicContact CG2-CD1 4.22Å; V285-F293 HydrophobicContact CG2-CD2 3.79Å; V285-F293 HydrophobicContact CG2-CE1 4.49Å; V285-F293 HydrophobicContact CG2-CE2 4.11Å; V285-F293 HydrophobicContact CG2-CG 3.85Å; V285-F293 HydrophobicContact CG2-CZ 4.45Å |
| 286 | G | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -146.6 | -169.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P189 A288 N289 H290 | P189-G286 CarbonylContact O-C 3.58Å; P189-G286 WeakPolarHBondContact O-CA 3.46Å; G286-A288 VanDerWaalsContact C-N 3.27Å; G286-A288 PolarHBondContact O-N 2.94Å; G286-A288 VanDerWaalsContact O-N 3.16Å; G286-N289 PolarHBondContact N-OD1 3.47Å; G286-N289 PolarHBondContact O-N 3.22Å; G286-N289 PolarHBondContact O-OD1 3.43Å; G286-N289 VanDerWaalsContact O-OD1 3.11Å; G286-H290 WeakPolarHBondContact O-CB 3.39Å; G286-H290 PolarHBondContact O-N 3.42Å | ||
| 287 | Q | 95.3 | Very high | 95.8 | Very high | 41 Ų | 41 | 23.6 Ų | 23.6 | 19% | 0.192 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -41.2 | -171.9 | -170 | 172.4 | -30.5 | 0 | 0 | 114 | P189 L272 R273 M411 L415 | P189-Q287 PolarHBondContact O-N 3.31Å; L272-Q287 HydrophobicContact CB-CB 4Å; L272-Q287 PolarHBondContact O-N 3.17Å; R273-Q287 HydrophobicContact CB-CB 3.93Å; Q287-M411 HydrophobicContact CG-CB 3.99Å; Q287-M411 HydrophobicContact CG-SD 4.29Å; Q287-L415 HydrophobicContact CB-CD1 4.48Å; Q287-L415 HydrophobicContact CG-CD1 4.18Å |
| 288 | A | 94.1 | Very high | 96 | Very high | 40 Ų | 40 | 24.4 Ų | 24.4 | 33% | 0.331 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -23.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D188 P189 G286 L415 | D188-A288 WeakPolarHBondContact O-CB 3.26Å; P189-A288 PolarHBondContact O-N 3.46Å; G286-A288 VanDerWaalsContact C-N 3.27Å; G286-A288 PolarHBondContact O-N 2.94Å; G286-A288 VanDerWaalsContact O-N 3.16Å; A288-L415 HydrophobicContact CB-CD1 3.46Å; A288-L415 VanDerWaalsContact CB-CD1 3.46Å |
| 289 | N | 96.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124 | 0.2 | -173.1 | 69.6 | -12 | 0 | 0 | 0 | 114.2 | T185 C284 V285 G286 V291 S292 F293 | T185-N289 PolarHBondContact O-ND2 3.04Å; C284-N289 PolarHBondContact O-ND2 2.91Å; V285-N289 WeakPolarHBondContact CA-OD1 3.47Å; G286-N289 PolarHBondContact N-OD1 3.47Å; G286-N289 PolarHBondContact O-N 3.22Å; G286-N289 PolarHBondContact O-OD1 3.43Å; G286-N289 VanDerWaalsContact O-OD1 3.11Å; N289-V291 VanDerWaalsContact C-N 3.33Å; N289-V291 PolarHBondContact O-N 2.96Å; N289-S292 PolarHBondContact O-N 2.91Å; N289-F293 PolarHBondContact O-N 3.36Å |
| 290 | H | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | -178 | -148.8 | 150 | 0 | 0 | 0 | 112.7 | R273 D275 V285 G286 S292 F293 L294 Q361 F408 M411 | R273-H290 PolarHBondContact NH1-ND1 3.1Å; D275-H290 VanDerWaalsContact CG-CE1 3.45Å; D275-H290 IonicContact OD1-CE1 3.72Å; D275-H290 IonicContact OD2-CE1 3.84Å; V285-H290 HydrophobicContact CG1-CB 4.24Å; G286-H290 WeakPolarHBondContact O-CB 3.39Å; G286-H290 PolarHBondContact O-N 3.42Å; H290-S292 PolarHBondContact O-N 3.11Å; H290-F293 WeakPolarHBondContact O-CB 3.22Å; H290-F293 PolarHBondContact O-N 2.81Å; H290-L294 PolarHBondContact O-N 3.22Å; H290-Q361 PolarHBondContact NE2-OE1 2.86Å; H290-Q361 VanDerWaalsContact NE2-OE1 3.1Å; H290-F408 HydrophobicContact CB-CE2 3.84Å; H290-F408 HydrophobicContact CB-CZ 4.14Å; H290-F408 AromaticContact CD2-CE2 3.71Å; H290-F408 AromaticContact CD2-CZ 3.87Å; H290-F408 AromaticContact CG-CE2 3.54Å; H290-F408 AromaticContact ND1-CE2 3.88Å; H290-M411 HydrophobicContact CB-CE 4.23Å |
| 291 | V | 96.3 | Very high | 96.7 | Very high | 34 Ų | 34 | 23.6 Ų | 23.6 | 21% | 0.206 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 177.8 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | N289 F293 L294 L295 F408 M409 | N289-V291 VanDerWaalsContact C-N 3.33Å; N289-V291 PolarHBondContact O-N 2.96Å; V291-F293 VanDerWaalsContact C-N 3.3Å; V291-F293 PolarHBondContact O-N 3.37Å; V291-L294 PolarHBondContact O-N 3.47Å; V291-L295 HydrophobicContact CG1-CD1 4.31Å; V291-L295 WeakPolarHBondContact O-CG 3.48Å; V291-L295 PolarHBondContact O-N 3.15Å; V291-F408 HydrophobicContact CB-CE1 4.47Å; V291-F408 HydrophobicContact CG2-CD1 4.23Å; V291-F408 HydrophobicContact CG2-CE1 3.78Å; V291-F408 HydrophobicContact CG2-CZ 4.06Å; V291-M409 HydrophobicContact CG1-CE 4.31Å; V291-M409 HydrophobicContact CG1-SD 4.27Å |
| 292 | S | 96.6 | Very high | 96.9 | Very high | 29 Ų | 29 | 28 Ų | 28 | 20% | 0.203 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 175.8 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | T185 N289 H290 L295 T296 | T185-S292 VanDerWaalsContact OG1-CB 3.31Å; T185-S292 WeakPolarHBondContact OG1-CB 3.2Å; T185-S292 PolarHBondContact OG1-O 3.22Å; N289-S292 PolarHBondContact O-N 2.91Å; H290-S292 PolarHBondContact O-N 3.11Å; S292-L295 PolarHBondContact O-N 3.03Å; S292-T296 WeakPolarHBondContact O-CB 3.26Å; S292-T296 PolarHBondContact O-N 3.19Å; S292-T296 PolarHBondContact O-OG1 3.4Å |
| 293 | F | 97.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 174.9 | 177.2 | -107.8 | 0 | 0 | 0 | 111.2 | T185 H276 I281 V285 N289 H290 V291 L295 T296 L297 Q361 | T185-F293 HydrophobicContact CG2-CB 3.73Å; T185-F293 HydrophobicContact CG2-CD2 3.96Å; T185-F293 HydrophobicContact CG2-CG 4.35Å; T185-F293 WeakPolarHBondContact OG1-CA 3.17Å; T185-F293 PolarHBondContact OG1-N 3.17Å; T185-F293 VanDerWaalsContact OG1-N 3.15Å; H276-F293 AromaticContact CE1-CE1 3.8Å; H276-F293 AromaticContact CE1-CZ 3.83Å; H276-F293 AromaticContact NE2-CZ 3.87Å; I281-F293 HydrophobicContact CD1-CD2 4.47Å; V285-F293 HydrophobicContact CG1-CB 4.02Å; V285-F293 HydrophobicContact CG1-CD1 3.99Å; V285-F293 HydrophobicContact CG1-CG 4.02Å; V285-F293 HydrophobicContact CG2-CB 4.33Å; V285-F293 HydrophobicContact CG2-CD1 4.22Å; V285-F293 HydrophobicContact CG2-CD2 3.79Å; V285-F293 HydrophobicContact CG2-CE1 4.49Å; V285-F293 HydrophobicContact CG2-CE2 4.11Å; V285-F293 HydrophobicContact CG2-CG 3.85Å; V285-F293 HydrophobicContact CG2-CZ 4.45Å; N289-F293 PolarHBondContact O-N 3.36Å; H290-F293 WeakPolarHBondContact O-CB 3.22Å; H290-F293 PolarHBondContact O-N 2.81Å; V291-F293 VanDerWaalsContact C-N 3.3Å; V291-F293 PolarHBondContact O-N 3.37Å; F293-L295 PolarHBondContact O-N 2.99Å; F293-T296 WeakPolarHBondContact O-CB 3.48Å; F293-T296 PolarHBondContact O-N 2.75Å; F293-L297 HydrophobicContact CD1-CD1 4.33Å; F293-L297 HydrophobicContact CE1-CD1 3.79Å; F293-L297 HydrophobicContact CZ-CD1 3.99Å; F293-L297 HydrophobicContact CZ-CG 4.42Å; F293-L297 PolarHBondContact O-N 3.37Å; F293-L297 VanDerWaalsContact O-N 3.13Å; F293-Q361 HydrophobicContact CE1-CG 4.03Å |
| 294 | L | 97.9 | Very high | 97.4 | Very high | 18 Ų | 18 | 28 Ų | 28 | 9% | 0.094 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 176.4 | -168.9 | 72.5 | 0 | 0 | 0 | 111.6 | H290 V291 T296 L297 V298 L358 Q361 V362 I365 W405 F408 | H290-L294 PolarHBondContact O-N 3.22Å; V291-L294 PolarHBondContact O-N 3.47Å; L294-T296 VanDerWaalsContact C-N 3.31Å; L294-T296 PolarHBondContact O-N 2.77Å; L294-L297 PolarHBondContact O-N 3.45Å; L294-V298 WeakPolarHBondContact O-CG2 3.25Å; L294-V298 PolarHBondContact O-N 2.97Å; L294-L358 HydrophobicContact CD1-CD1 3.54Å; L294-L358 HydrophobicContact CG-CD1 4.39Å; L294-Q361 HydrophobicContact CD1-CB 4.13Å; L294-V362 HydrophobicContact CD1-CG2 4.49Å; L294-I365 HydrophobicContact CD1-CD1 4.07Å; L294-I365 HydrophobicContact CD2-CD1 3.97Å; L294-W405 HydrophobicContact CD2-CH2 4.09Å; L294-W405 HydrophobicContact CD2-CZ3 3.95Å; L294-F408 HydrophobicContact CD2-CE1 3.88Å; L294-F408 HydrophobicContact CD2-CZ 4.31Å |
| 295 | L | 97.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 32.5 Ų | 32.5 | 38% | 0.382 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.9 | -38.1 | 176.1 | -70.2 | 175.1 | 0 | 0 | 0 | 112.3 | T181 V291 S292 F293 L297 V298 F299 | T181-L295 HydrophobicContact CG2-CB 4.12Å; V291-L295 HydrophobicContact CG1-CD1 4.31Å; V291-L295 WeakPolarHBondContact O-CG 3.48Å; V291-L295 PolarHBondContact O-N 3.15Å; S292-L295 PolarHBondContact O-N 3.03Å; F293-L295 PolarHBondContact O-N 2.99Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 3.44Å; L295-V298 PolarHBondContact O-N 2.79Å; L295-F299 HydrophobicContact CB-CD2 4.36Å; L295-F299 HydrophobicContact CB-CE2 4.28Å; L295-F299 HydrophobicContact CD2-CE2 4.44Å; L295-F299 WeakPolarHBondContact O-CD2 3.35Å; L295-F299 PolarHBondContact O-N 3.03Å |
| 296 | T | 98.2 | Very high | 97.4 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 9% | 0.092 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 176 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | T181 L182 T185 S292 F293 L294 F300 | T181-T296 WeakPolarHBondContact CB-OG1 3.16Å; T181-T296 PolarHBondContact O-OG1 2.68Å; T181-T296 WeakPolarHBondContact OG1-CA 3.13Å; T181-T296 PolarHBondContact OG1-OG1 3.36Å; L182-T296 HydrophobicContact CB-CG2 4Å; L182-T296 HydrophobicContact CD1-CG2 4.39Å; L182-T296 PolarHBondContact N-OG1 3.49Å; T185-T296 PolarHBondContact OG1-OG1 2.85Å; S292-T296 WeakPolarHBondContact O-CB 3.26Å; S292-T296 PolarHBondContact O-N 3.19Å; S292-T296 PolarHBondContact O-OG1 3.4Å; F293-T296 WeakPolarHBondContact O-CB 3.48Å; F293-T296 PolarHBondContact O-N 2.75Å; L294-T296 VanDerWaalsContact C-N 3.31Å; L294-T296 PolarHBondContact O-N 2.77Å; T296-F300 VanDerWaalsContact O-CB 3.26Å; T296-F300 WeakPolarHBondContact O-CB 3.49Å; T296-F300 PolarHBondContact O-N 3.01Å |
| 297 | L | 98.3 | Very high | 97.5 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.4 | -66.2 | 177 | 0 | 0 | 0 | 111.9 | F293 L294 L295 L301 L354 L358 Q361 | F293-L297 HydrophobicContact CD1-CD1 4.33Å; F293-L297 HydrophobicContact CE1-CD1 3.79Å; F293-L297 HydrophobicContact CZ-CD1 3.99Å; F293-L297 HydrophobicContact CZ-CG 4.42Å; F293-L297 PolarHBondContact O-N 3.37Å; F293-L297 VanDerWaalsContact O-N 3.13Å; L294-L297 PolarHBondContact O-N 3.45Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 3.44Å; L297-L301 VanDerWaalsContact O-CB 3.28Å; L297-L301 WeakPolarHBondContact O-CB 3.46Å; L297-L301 PolarHBondContact O-N 3.33Å; L297-L354 HydrophobicContact CD2-CD2 3.94Å; L297-L358 HydrophobicContact CB-CB 4.41Å; L297-L358 HydrophobicContact CB-CD1 4.04Å; L297-L358 HydrophobicContact CD1-CB 4.4Å; L297-L358 HydrophobicContact CD1-CD1 4.36Å; L297-Q361 HydrophobicContact CD1-CG 4.41Å |
| 298 | V | 98.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 30% | 0.297 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.9 | -51.6 | 179.5 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | L294 L295 F300 L301 L302 L358 | L294-V298 WeakPolarHBondContact O-CG2 3.25Å; L294-V298 PolarHBondContact O-N 2.97Å; L295-V298 PolarHBondContact O-N 2.79Å; V298-F300 VanDerWaalsContact C-N 3.33Å; V298-F300 PolarHBondContact O-N 3.04Å; V298-L301 PolarHBondContact O-N 3.28Å; V298-L302 HydrophobicContact CG1-CD1 3.91Å; V298-L302 HydrophobicContact CG1-CG 4.4Å; V298-L302 WeakPolarHBondContact O-CG 3.41Å; V298-L302 PolarHBondContact O-N 3.5Å; V298-L358 HydrophobicContact CG2-CD1 4.02Å; V298-L358 HydrophobicContact CG2-CD2 4.15Å |
| 299 | F | 98.6 | Very high | 97.8 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 26% | 0.259 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64 | -39.1 | 180 | -73.5 | -57.3 | 0 | 0 | 0 | 111.9 | L177 T181 L295 T303 | L177-F299 HydrophobicContact CB-CD1 4.22Å; L177-F299 HydrophobicContact CB-CD2 4.4Å; L177-F299 HydrophobicContact CB-CG 4.17Å; L177-F299 HydrophobicContact CD1-CD1 4.14Å; L177-F299 HydrophobicContact CD1-CE1 3.89Å; L177-F299 HydrophobicContact CD1-CZ 4.39Å; T181-F299 HydrophobicContact CG2-CD2 3.73Å; T181-F299 HydrophobicContact CG2-CE2 3.83Å; L295-F299 HydrophobicContact CB-CD2 4.36Å; L295-F299 HydrophobicContact CB-CE2 4.28Å; L295-F299 HydrophobicContact CD2-CE2 4.44Å; L295-F299 WeakPolarHBondContact O-CD2 3.35Å; L295-F299 PolarHBondContact O-N 3.03Å; F299-T303 VanDerWaalsContact O-CB 3.25Å; F299-T303 WeakPolarHBondContact O-CB 3.44Å; F299-T303 PolarHBondContact O-N 3.48Å; F299-T303 PolarHBondContact O-OG1 3.31Å |
| 300 | F | 98 | Very high | 97.9 | Very high | 42 Ų | 42 | 34.6 Ų | 34.6 | 18% | 0.184 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 173.4 | -171.7 | -70.5 | 0 | 0 | 0 | 110.8 | T178 T296 V298 L302 T303 S304 V350 L354 | T178-F300 HydrophobicContact CG2-CB 3.94Å; T178-F300 HydrophobicContact CG2-CD2 3.91Å; T178-F300 HydrophobicContact CG2-CG 4.4Å; T178-F300 PolarHBondContact OG1-N 2.9Å; T296-F300 VanDerWaalsContact O-CB 3.26Å; T296-F300 WeakPolarHBondContact O-CB 3.49Å; T296-F300 PolarHBondContact O-N 3.01Å; V298-F300 VanDerWaalsContact C-N 3.33Å; V298-F300 PolarHBondContact O-N 3.04Å; F300-L302 PolarHBondContact O-N 2.99Å; F300-T303 PolarHBondContact O-N 3.05Å; F300-S304 VanDerWaalsContact O-CB 3.29Å; F300-S304 WeakPolarHBondContact O-CB 3.36Å; F300-S304 PolarHBondContact O-N 3.44Å; F300-V350 HydrophobicContact CE1-CG1 4.29Å; F300-V350 HydrophobicContact CZ-CG1 4.09Å; F300-L354 HydrophobicContact CD1-CD1 3.12Å; F300-L354 HydrophobicContact CD2-CD1 4.14Å; F300-L354 HydrophobicContact CE1-CD1 3.13Å; F300-L354 HydrophobicContact CE2-CD1 4.12Å; F300-L354 HydrophobicContact CG-CD1 3.68Å; F300-L354 HydrophobicContact CZ-CD1 3.65Å |
| 301 | L | 98.4 | Very high | 97.9 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -50 | -177.1 | -174.6 | 78.4 | 0 | 0 | 0 | 111.2 | L297 V298 S304 L305 T351 L355 L358 | L297-L301 VanDerWaalsContact O-CB 3.28Å; L297-L301 WeakPolarHBondContact O-CB 3.46Å; L297-L301 PolarHBondContact O-N 3.33Å; V298-L301 PolarHBondContact O-N 3.28Å; L301-S304 PolarHBondContact O-N 2.92Å; L301-L305 HydrophobicContact CD1-CD1 4.29Å; L301-L305 HydrophobicContact CD2-CD1 4.44Å; L301-L305 HydrophobicContact CG-CD1 3.9Å; L301-L305 HydrophobicContact CG-CG 4.46Å; L301-L305 WeakPolarHBondContact O-CB 3.49Å; L301-L305 VanDerWaalsContact O-CG 3.24Å; L301-L305 WeakPolarHBondContact O-CG 3.26Å; L301-L305 PolarHBondContact O-N 2.78Å; L301-T351 HydrophobicContact CD1-CG2 3.74Å; L301-L355 HydrophobicContact CD1-CB 3.83Å; L301-L355 HydrophobicContact CD1-CD1 4.2Å; L301-L355 HydrophobicContact CD2-CD1 3.87Å; L301-L358 HydrophobicContact CD2-CD2 3.86Å |
| 302 | L | 98.4 | Very high | 98 | Very high | 102 Ų | 102 | 33.9 Ų | 33.9 | 53% | 0.534 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 179.7 | -66.9 | 175.7 | 0 | 0 | 0 | 111.6 | V298 F300 S304 Y306 | V298-L302 HydrophobicContact CG1-CD1 3.91Å; V298-L302 HydrophobicContact CG1-CG 4.4Å; V298-L302 WeakPolarHBondContact O-CG 3.41Å; V298-L302 PolarHBondContact O-N 3.5Å; F300-L302 PolarHBondContact O-N 2.99Å; L302-S304 PolarHBondContact O-N 3.05Å; L302-Y306 WeakPolarHBondContact O-CB 3.39Å; L302-Y306 PolarHBondContact O-N 3.23Å |
| 303 | T | 98.4 | Very high | 98 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 179.4 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | G174 V175 F299 F300 G307 | G174-T303 VanDerWaalsContact C-OG1 3.26Å; G174-T303 VanDerWaalsContact CA-OG1 3.22Å; G174-T303 WeakPolarHBondContact CA-OG1 3.34Å; G174-T303 PolarHBondContact O-OG1 3.49Å; V175-T303 HydrophobicContact CG2-CG2 3.96Å; F299-T303 VanDerWaalsContact O-CB 3.25Å; F299-T303 WeakPolarHBondContact O-CB 3.44Å; F299-T303 PolarHBondContact O-N 3.48Å; F299-T303 PolarHBondContact O-OG1 3.31Å; F300-T303 PolarHBondContact O-N 3.05Å; T303-G307 PolarHBondContact O-N 2.85Å |
| 304 | S | 98.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.4 | -43.2 | -178.5 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | F300 L301 L302 Y306 G307 I308 T351 | F300-S304 VanDerWaalsContact O-CB 3.29Å; F300-S304 WeakPolarHBondContact O-CB 3.36Å; F300-S304 PolarHBondContact O-N 3.44Å; L301-S304 PolarHBondContact O-N 2.92Å; L302-S304 PolarHBondContact O-N 3.05Å; S304-Y306 VanDerWaalsContact C-N 3.32Å; S304-Y306 PolarHBondContact O-N 3.45Å; S304-G307 PolarHBondContact O-N 2.95Å; S304-I308 WeakPolarHBondContact O-CB 3.36Å; S304-I308 WeakPolarHBondContact O-CD1 3.39Å; S304-I308 WeakPolarHBondContact O-CG1 3.44Å; S304-I308 PolarHBondContact O-N 2.83Å; S304-T351 VanDerWaalsContact CB-OG1 3.26Å; S304-T351 WeakPolarHBondContact CB-OG1 3.28Å; S304-T351 PolarHBondContact OG-OG1 3.1Å |
| 305 | L | 98.2 | Very high | 97.7 | Very high | 95 Ų | 95 | 37.1 Ų | 37.1 | 50% | 0.497 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 175.7 | -74 | 172.4 | 0 | 0 | 0 | 111.5 | L301 G309 T351 | L301-L305 HydrophobicContact CD1-CD1 4.29Å; L301-L305 HydrophobicContact CD2-CD1 4.44Å; L301-L305 HydrophobicContact CG-CD1 3.9Å; L301-L305 HydrophobicContact CG-CG 4.46Å; L301-L305 WeakPolarHBondContact O-CB 3.49Å; L301-L305 VanDerWaalsContact O-CG 3.24Å; L301-L305 WeakPolarHBondContact O-CG 3.26Å; L301-L305 PolarHBondContact O-N 2.78Å; L305-G309 PolarHBondContact O-N 3.31Å; L305-G309 VanDerWaalsContact O-N 3.11Å; L305-T351 HydrophobicContact CD2-CG2 3.88Å; L305-T351 HydrophobicContact CG-CG2 4.04Å |
| 306 | Y | 98.4 | Very high | 97.6 | Very high | 89 Ų | 89 | 33.8 Ų | 33.8 | 35% | 0.349 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.3 | -50.3 | 177 | -173.4 | -119.4 | 0 | 0 | 0 | 111.4 | E167 A170 V171 L302 S304 I308 G309 L310 | E167-Y306 WeakPolarHBondContact CB-OH 3.44Å; E167-Y306 VanDerWaalsContact CG-OH 3.26Å; E167-Y306 WeakPolarHBondContact CG-OH 3.47Å; A170-Y306 HydrophobicContact CB-CE1 3.93Å; V171-Y306 HydrophobicContact CG2-CD1 3.75Å; V171-Y306 HydrophobicContact CG2-CE1 3.93Å; L302-Y306 WeakPolarHBondContact O-CB 3.39Å; L302-Y306 PolarHBondContact O-N 3.23Å; S304-Y306 VanDerWaalsContact C-N 3.32Å; S304-Y306 PolarHBondContact O-N 3.45Å; Y306-I308 PolarHBondContact O-N 2.94Å; Y306-G309 WeakPolarHBondContact O-CA 3.32Å; Y306-G309 PolarHBondContact O-N 2.71Å; Y306-G309 VanDerWaalsContact O-N 3.1Å; Y306-L310 HydrophobicContact CD1-CD1 4.15Å; Y306-L310 HydrophobicContact CD1-CG 4.5Å; Y306-L310 HydrophobicContact CE1-CD1 3.74Å; Y306-L310 HydrophobicContact CE1-CD2 4.43Å; Y306-L310 HydrophobicContact CE1-CG 4.26Å; Y306-L310 HydrophobicContact CE2-CD2 4.12Å; Y306-L310 WeakPolarHBondContact O-CG 3.41Å; Y306-L310 PolarHBondContact O-N 3.43Å |
| 307 | G | 98.1 | Very high | 97.3 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -46.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T303 S304 G309 L310 V311 | T303-G307 PolarHBondContact O-N 2.85Å; S304-G307 PolarHBondContact O-N 2.95Å; G307-G309 VanDerWaalsContact C-N 3.27Å; G307-G309 PolarHBondContact O-N 2.9Å; G307-L310 PolarHBondContact O-N 2.95Å; G307-V311 VanDerWaalsContact O-CG2 3.31Å; G307-V311 WeakPolarHBondContact O-CG2 3.21Å; G307-V311 PolarHBondContact O-N 3.44Å |
| 308 | I | 98.2 | Very high | 97 | Very high | 15 Ų | 15 | 45 Ų | 45 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.1 | -44.6 | 174.4 | -69.3 | 161 | 0 | 0 | 0 | 110.2 | S304 Y306 L310 V311 L312 C347 | S304-I308 WeakPolarHBondContact O-CB 3.36Å; S304-I308 WeakPolarHBondContact O-CD1 3.39Å; S304-I308 WeakPolarHBondContact O-CG1 3.44Å; S304-I308 PolarHBondContact O-N 2.83Å; Y306-I308 PolarHBondContact O-N 2.94Å; I308-L310 PolarHBondContact O-N 2.96Å; I308-V311 PolarHBondContact O-N 3.31Å; I308-L312 HydrophobicContact CG2-CD1 3.75Å; I308-L312 HydrophobicContact CG2-CG 4.27Å; I308-L312 WeakPolarHBondContact O-CB 3.19Å; I308-L312 VanDerWaalsContact O-CG 3.31Å; I308-L312 WeakPolarHBondContact O-CG 3.41Å; I308-L312 PolarHBondContact O-N 3.37Å; I308-C347 HydrophobicContact CD1-CB 3.81Å; I308-C347 HydrophobicContact CG1-CB 3.71Å |
| 309 | G | 97.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 46 Ų | 46 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L305 Y306 G307 R313 | L305-G309 PolarHBondContact O-N 3.31Å; L305-G309 VanDerWaalsContact O-N 3.11Å; Y306-G309 WeakPolarHBondContact O-CA 3.32Å; Y306-G309 PolarHBondContact O-N 2.71Å; Y306-G309 VanDerWaalsContact O-N 3.1Å; G307-G309 VanDerWaalsContact C-N 3.27Å; G307-G309 PolarHBondContact O-N 2.9Å; G309-R313 WeakPolarHBondContact O-CB 3.26Å; G309-R313 PolarHBondContact O-N 3.43Å |
| 310 | L | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.5 | -62 | -174.2 | 0 | 0 | 0 | 111.6 | F153 V163 E167 V171 Y306 G307 I308 L312 R313 S314 | F153-L310 HydrophobicContact CE2-CB 3.9Å; F153-L310 HydrophobicContact CE2-CD1 3.83Å; F153-L310 HydrophobicContact CZ-CB 4.47Å; F153-L310 HydrophobicContact CZ-CD1 3.59Å; V163-L310 HydrophobicContact CG1-CD1 4.37Å; E167-L310 HydrophobicContact CB-CD1 4.05Å; E167-L310 HydrophobicContact CB-CD2 4.37Å; E167-L310 HydrophobicContact CG-CD2 4.46Å; E167-L310 WeakPolarHBondContact OE1-CD2 3.39Å; V171-L310 HydrophobicContact CG2-CD1 3.66Å; Y306-L310 HydrophobicContact CD1-CD1 4.15Å; Y306-L310 HydrophobicContact CD1-CG 4.5Å; Y306-L310 HydrophobicContact CE1-CD1 3.74Å; Y306-L310 HydrophobicContact CE1-CD2 4.43Å; Y306-L310 HydrophobicContact CE1-CG 4.26Å; Y306-L310 HydrophobicContact CE2-CD2 4.12Å; Y306-L310 WeakPolarHBondContact O-CG 3.41Å; Y306-L310 PolarHBondContact O-N 3.43Å; G307-L310 PolarHBondContact O-N 2.95Å; I308-L310 PolarHBondContact O-N 2.96Å; L310-L312 PolarHBondContact O-N 3Å; L310-R313 PolarHBondContact O-N 3.01Å; L310-S314 PolarHBondContact O-N 3.04Å |
| 311 | V | 97.5 | Very high | 96.2 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 179.8 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | F153 V157 G307 I308 R313 S314 V315 C340 A344 | F153-V311 HydrophobicContact CD2-CG2 4.02Å; V157-V311 HydrophobicContact CG1-CG2 4.5Å; V157-V311 HydrophobicContact CG2-CG1 4.49Å; V157-V311 HydrophobicContact CG2-CG2 4.14Å; G307-V311 VanDerWaalsContact O-CG2 3.31Å; G307-V311 WeakPolarHBondContact O-CG2 3.21Å; G307-V311 PolarHBondContact O-N 3.44Å; I308-V311 PolarHBondContact O-N 3.31Å; V311-R313 VanDerWaalsContact C-N 3.31Å; V311-R313 PolarHBondContact O-N 2.97Å; V311-S314 PolarHBondContact O-N 3.27Å; V311-V315 HydrophobicContact CG1-CG2 4.2Å; V311-V315 WeakPolarHBondContact O-CB 3.46Å; V311-V315 VanDerWaalsContact O-CG2 3.32Å; V311-V315 WeakPolarHBondContact O-CG2 3.48Å; V311-V315 PolarHBondContact O-N 3.5Å; V311-C340 HydrophobicContact CG1-CB 4.11Å; V311-A344 HydrophobicContact CG1-CB 4.1Å |
| 312 | L | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -36.4 | -179.8 | -70.1 | 175.7 | 0 | 0 | 0 | 112.1 | I308 L310 C316 V321 A324 L325 F341 A344 | I308-L312 HydrophobicContact CG2-CD1 3.75Å; I308-L312 HydrophobicContact CG2-CG 4.27Å; I308-L312 WeakPolarHBondContact O-CB 3.19Å; I308-L312 VanDerWaalsContact O-CG 3.31Å; I308-L312 WeakPolarHBondContact O-CG 3.41Å; I308-L312 PolarHBondContact O-N 3.37Å; L310-L312 PolarHBondContact O-N 3Å; L312-C316 WeakPolarHBondContact O-CA 3.28Å; L312-C316 VanDerWaalsContact O-CB 3.27Å; L312-C316 WeakPolarHBondContact O-CB 3.48Å; L312-C316 PolarHBondContact O-N 3.34Å; L312-V321 HydrophobicContact CD1-CG1 3.92Å; L312-A324 HydrophobicContact CB-CB 4.11Å; L312-A324 HydrophobicContact CD2-CB 4.36Å; L312-L325 HydrophobicContact CD1-CB 3.77Å; L312-L325 HydrophobicContact CD1-CD1 4.06Å; L312-L325 HydrophobicContact CD1-CG 4.48Å; L312-F341 HydrophobicContact CD2-CD2 4.08Å; L312-F341 HydrophobicContact CD2-CE2 4.01Å; L312-A344 HydrophobicContact CD2-CB 4.07Å; L312-A344 HydrophobicContact CG-CB 4.36Å |
| 313 | R | 95.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 53.7 Ų | 53.7 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.9 | -168.5 | -165.9 | -46.7 | 126.6 | 2.1 | 112.4 | E167 G309 L310 V311 P317 | E167-R313 IonicContact OE1-CZ 2.81Å; E167-R313 IonicContact OE1-NH1 3.39Å; E167-R313 PolarHBondContact OE1-NH1 3.35Å; E167-R313 IonicContact OE1-NH2 3.97Å; E167-R313 IonicContact OE2-NH1 2.65Å; G309-R313 WeakPolarHBondContact O-CB 3.26Å; G309-R313 PolarHBondContact O-N 3.43Å; L310-R313 PolarHBondContact O-N 3.01Å; V311-R313 VanDerWaalsContact C-N 3.31Å; V311-R313 PolarHBondContact O-N 2.97Å; R313-P317 VanDerWaalsContact O-CA 3.25Å; R313-P317 WeakPolarHBondContact O-CA 3.5Å |
| 314 | S | 95.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.1 | -39.8 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | R160 D162 L310 V311 | R160-S314 WeakPolarHBondContact CD-OG 3Å; D162-S314 WeakPolarHBondContact OD2-CB 3.46Å; D162-S314 PolarHBondContact OD2-OG 3.49Å; L310-S314 PolarHBondContact O-N 3.04Å; V311-S314 PolarHBondContact O-N 3.27Å |
| 315 | V | 95.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -80.6 | -27.8 | -177.9 | 179 | 0 | 0 | 0 | 0 | 112.2 | V311 V331 C340 F341 | V311-V315 HydrophobicContact CG1-CG2 4.2Å; V311-V315 WeakPolarHBondContact O-CB 3.46Å; V311-V315 VanDerWaalsContact O-CG2 3.32Å; V311-V315 WeakPolarHBondContact O-CG2 3.48Å; V311-V315 PolarHBondContact O-N 3.5Å; V315-V331 HydrophobicContact CG1-CG2 3.25Å; V315-C340 HydrophobicContact CG2-CB 3.79Å; V315-F341 HydrophobicContact CG1-CB 4.35Å |
| 316 | C | 95.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | trans | -134 | 61.6 | -174.7 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | L312 Q318 Q319 A324 C328 | L312-C316 WeakPolarHBondContact O-CA 3.28Å; L312-C316 VanDerWaalsContact O-CB 3.27Å; L312-C316 WeakPolarHBondContact O-CB 3.48Å; L312-C316 PolarHBondContact O-N 3.34Å; C316-Q318 PolarHBondContact O-N 2.85Å; C316-Q318 VanDerWaalsContact O-N 3.12Å; C316-Q319 PolarHBondContact O-N 3.32Å; C316-Q319 VanDerWaalsContact O-N 3.13Å; C316-A324 HydrophobicContact CB-CB 3.77Å; C316-C328 HydrophobicContact CB-CB 4.02Å; C316-C328 WeakPolarHBondContact CB-SG 3.4Å; C316-C328 WeakPolarHBondContact SG-CB 3.45Å; C316-C328 CovalentContact SG-SG 2.02Å; C316-C328 PolarHBondContact SG-SG 3.14Å | ||
| 317 | P | 92.2 | Very high | 94.5 | Very high | 87 Ų | 87 | 58 Ų | 58 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.6 | -168.6 | 25.5 | -35.8 | 0 | 0 | 0 | 114.6 | R313 Q319 | R313-P317 VanDerWaalsContact O-CA 3.25Å; R313-P317 WeakPolarHBondContact O-CA 3.5Å; P317-Q319 VanDerWaalsContact C-N 3.3Å |
| 318 | Q | 91.8 | Very high | 94.3 | Very high | 175 Ų | 175 | 58 Ų | 58 | 82% | 0.818 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.9 | -178.8 | -57.4 | -57.9 | -29.2 | 0 | 0 | 113.6 | C316 | C316-Q318 PolarHBondContact O-N 2.85Å; C316-Q318 VanDerWaalsContact O-N 3.12Å |
| 319 | Q | 92.3 | Very high | 94 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -119.7 | 145.6 | -175 | -62.7 | -65.8 | -10.7 | 0 | 0 | 110.5 | C316 P317 A324 | C316-Q319 PolarHBondContact O-N 3.32Å; C316-Q319 VanDerWaalsContact O-N 3.13Å; P317-Q319 VanDerWaalsContact C-N 3.3Å; Q319-A324 HydrophobicContact CB-CB 3.98Å |
| 320 | N | 93.9 | Very high | 93.7 | Very high | 128 Ų | 128 | 62.5 Ų | 62.5 | 68% | 0.684 | 34% | 0.335 | S | S | * | . | trans | -64.7 | 150.7 | 167.1 | -61 | -37.5 | 0 | 0 | 0 | 109.5 | L322 T323 A324 | N320-L322 VanDerWaalsContact C-N 3.27Å; N320-L322 PolarHBondContact O-N 3.02Å; N320-L322 VanDerWaalsContact O-N 3.12Å; N320-T323 PolarHBondContact O-N 3.31Å; N320-A324 WeakPolarHBondContact O-CB 3.47Å; N320-A324 PolarHBondContact O-N 2.89Å | ||
| 321 | V | 92.6 | Very high | 93.6 | Very high | 70 Ų | 70 | 62.9 Ų | 62.9 | 42% | 0.424 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -52.6 | -41.4 | -175 | 178.3 | 0 | 0 | 0 | 0 | 113.1 | L312 A324 L325 | L312-V321 HydrophobicContact CD1-CG1 3.92Å; V321-A324 PolarHBondContact O-N 3.43Å; V321-L325 WeakPolarHBondContact O-CB 3.5Å; V321-L325 PolarHBondContact O-N 2.89Å |
| 322 | L | 92.9 | Very high | 93.5 | Very high | 128 Ų | 128 | 64.5 Ų | 64.5 | 67% | 0.67 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 178.4 | -177.9 | 64.2 | 0 | 0 | 0 | 112.1 | N320 L325 L326 | N320-L322 VanDerWaalsContact C-N 3.27Å; N320-L322 PolarHBondContact O-N 3.02Å; N320-L322 VanDerWaalsContact O-N 3.12Å; L322-L325 PolarHBondContact O-N 3.42Å; L322-L326 PolarHBondContact O-N 3.01Å |
| 323 | T | 93.6 | Very high | 93.4 | Very high | 58 Ų | 58 | 70.1 Ų | 70.1 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 176.9 | -51.4 | 0 | 0 | 0 | 0 | 110.3 | N320 L325 L326 Y327 | N320-T323 PolarHBondContact O-N 3.31Å; T323-L325 VanDerWaalsContact C-N 3.25Å; T323-L325 PolarHBondContact O-N 3.38Å; T323-L326 PolarHBondContact O-N 2.91Å; T323-Y327 PolarHBondContact O-N 2.88Å |
| 324 | A | 93.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L312 C316 Q319 N320 V321 L326 F341 | L312-A324 HydrophobicContact CB-CB 4.11Å; L312-A324 HydrophobicContact CD2-CB 4.36Å; C316-A324 HydrophobicContact CB-CB 3.77Å; Q319-A324 HydrophobicContact CB-CB 3.98Å; N320-A324 WeakPolarHBondContact O-CB 3.47Å; N320-A324 PolarHBondContact O-N 2.89Å; V321-A324 PolarHBondContact O-N 3.43Å; A324-L326 VanDerWaalsContact C-N 3.25Å; A324-L326 PolarHBondContact O-N 2.91Å; A324-F341 WeakPolarHBondContact O-CE2 3.44Å |
| 325 | L | 93.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 75.4 Ų | 75.4 | 25% | 0.246 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.9 | -34.2 | 176.9 | -179.1 | 62.2 | 0 | 0 | 0 | 112.4 | L312 V321 L322 T323 W345 S348 | L312-L325 HydrophobicContact CD1-CB 3.77Å; L312-L325 HydrophobicContact CD1-CD1 4.06Å; L312-L325 HydrophobicContact CD1-CG 4.48Å; V321-L325 WeakPolarHBondContact O-CB 3.5Å; V321-L325 PolarHBondContact O-N 2.89Å; L322-L325 PolarHBondContact O-N 3.42Å; T323-L325 VanDerWaalsContact C-N 3.25Å; T323-L325 PolarHBondContact O-N 3.38Å; L325-W345 PolarHBondContact O-NE1 3Å; L325-S348 WeakPolarHBondContact CD1-OG 3.49Å |
| 326 | L | 91.3 | Very high | 93.4 | Very high | 124 Ų | 124 | 76.2 Ų | 76.2 | 65% | 0.649 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -89.9 | -36.8 | -178.4 | -62.7 | 175.7 | 0 | 0 | 0 | 112.3 | L322 T323 A324 | L322-L326 PolarHBondContact O-N 3.01Å; T323-L326 PolarHBondContact O-N 2.91Å; A324-L326 VanDerWaalsContact C-N 3.25Å; A324-L326 PolarHBondContact O-N 2.91Å |
| 327 | Y | 89.8 | Confident | 93.4 | Very high | 142 Ų | 142 | 76.6 Ų | 76.6 | 56% | 0.557 | 41% | 0.41 | S | S | * | . | trans | -159 | 130.5 | -171 | 179.3 | -114.8 | 0 | 0 | 0 | 112.3 | T323 P329 | T323-Y327 PolarHBondContact O-N 2.88Å; Y327-P329 HydrophobicContact CD1-CG 4.29Å; Y327-P329 HydrophobicContact CE1-CG 3.54Å | ||
| 328 | C | 94.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 72.5 Ų | 72.5 | 9% | 0.088 | 38% | 0.383 | C | S | . | . | trans | -139.7 | 105.4 | 176.4 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | C316 G330 V331 F341 | C316-C328 HydrophobicContact CB-CB 4.02Å; C316-C328 WeakPolarHBondContact CB-SG 3.4Å; C316-C328 WeakPolarHBondContact SG-CB 3.45Å; C316-C328 CovalentContact SG-SG 2.02Å; C316-C328 PolarHBondContact SG-SG 3.14Å; C328-G330 PolarHBondContact O-N 2.87Å; C328-V331 HydrophobicContact CB-CB 4.03Å; C328-V331 HydrophobicContact CB-CG1 4.13Å; C328-V331 WeakPolarHBondContact O-CG1 3.2Å; C328-V331 PolarHBondContact O-N 2.84Å; C328-F341 HydrophobicContact CB-CD2 4.41Å; C328-F341 HydrophobicContact CB-CE2 3.77Å; C328-F341 HydrophobicContact CB-CZ 4.14Å | ||
| 329 | P | 92 | Very high | 93.9 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 47% | 0.468 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 132.7 | -179.7 | -21.6 | 29.1 | 0 | 0 | 0 | 111.8 | Y327 V331 | Y327-P329 HydrophobicContact CD1-CG 4.29Å; Y327-P329 HydrophobicContact CE1-CG 3.54Å; P329-V331 PolarHBondContact O-N 2.83Å |
| 330 | G | 91.6 | Very high | 94.1 | Very high | 48 Ų | 48 | 61.3 Ų | 61.3 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 4.2 | 173 | 0 | 0 | 0 | 0 | 0 | 115.8 | C328 Y332 T333 | C328-G330 PolarHBondContact O-N 2.87Å; G330-Y332 PolarHBondContact O-N 3.32Å; G330-T333 WeakPolarHBondContact O-CB 3.44Å; G330-T333 VanDerWaalsContact O-CG2 3.24Å; G330-T333 WeakPolarHBondContact O-CG2 3.37Å; G330-T333 PolarHBondContact O-N 3.29Å; G330-T333 PolarHBondContact O-OG1 3.48Å |
| 331 | V | 95.2 | Very high | 94.3 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -61.2 | -28.6 | -178.6 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | V315 C328 P329 T333 A338 F341 | V315-V331 HydrophobicContact CG1-CG2 3.25Å; C328-V331 HydrophobicContact CB-CB 4.03Å; C328-V331 HydrophobicContact CB-CG1 4.13Å; C328-V331 WeakPolarHBondContact O-CG1 3.2Å; C328-V331 PolarHBondContact O-N 2.84Å; P329-V331 PolarHBondContact O-N 2.83Å; V331-T333 VanDerWaalsContact C-N 3.3Å; V331-T333 PolarHBondContact O-N 3.02Å; V331-A338 PolarHBondContact O-N 2.87Å; V331-F341 HydrophobicContact CB-CG 4.49Å; V331-F341 HydrophobicContact CG1-CB 4.49Å; V331-F341 HydrophobicContact CG1-CD1 3.88Å; V331-F341 HydrophobicContact CG1-CD2 4.36Å; V331-F341 HydrophobicContact CG1-CE1 4.16Å; V331-F341 HydrophobicContact CG1-CG 3.99Å; V331-F341 HydrophobicContact CG2-CB 3.62Å; V331-F341 HydrophobicContact CG2-CD1 4.47Å; V331-F341 HydrophobicContact CG2-CD2 3.95Å; V331-F341 HydrophobicContact CG2-CG 3.77Å |
| 332 | Y | 95.2 | Very high | 94.5 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -83.5 | 2.8 | 177.5 | -74.8 | -93.9 | 0 | 0 | 0 | 114.3 | A104 H106 F107 G330 A338 F341 T342 | A104-Y332 WeakPolarHBondContact O-CD1 3.32Å; H106-Y332 VanDerWaalsContact C-CE1 3.46Å; F107-Y332 HydrophobicContact CB-CD2 4.09Å; F107-Y332 HydrophobicContact CB-CE2 3.83Å; F107-Y332 HydrophobicContact CD2-CE2 4.03Å; F107-Y332 HydrophobicContact CG-CE2 4.45Å; G330-Y332 PolarHBondContact O-N 3.32Å; Y332-A338 HydrophobicContact CD1-CB 3.73Å; Y332-A338 HydrophobicContact CE1-CB 4.16Å; Y332-A338 HydrophobicContact CG-CB 4.21Å; Y332-F341 AromaticContact CE2-CD1 3.99Å; Y332-F341 HydrophobicContact CE2-CD1 3.99Å; Y332-F341 HydrophobicContact CE2-CE1 4.29Å; Y332-T342 PolarHBondContact OH-OG1 3.16Å |
| 333 | T | 94.5 | Very high | 94.7 | Very high | 119 Ų | 119 | 46.1 Ų | 46.1 | 73% | 0.73 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -71.7 | -31.8 | 177.7 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | G330 V331 | G330-T333 WeakPolarHBondContact O-CB 3.44Å; G330-T333 VanDerWaalsContact O-CG2 3.24Å; G330-T333 WeakPolarHBondContact O-CG2 3.37Å; G330-T333 PolarHBondContact O-N 3.29Å; G330-T333 PolarHBondContact O-OG1 3.48Å; V331-T333 VanDerWaalsContact C-N 3.3Å; V331-T333 PolarHBondContact O-N 3.02Å |
| 334 | Q | 94.9 | Very high | 94.8 | Very high | 123 Ų | 123 | 43.5 Ų | 43.5 | 58% | 0.575 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -115.2 | 130 | 176.3 | -65.1 | -177.5 | 5.6 | 0 | 0 | 109.6 | S336 S337 A338 | Q334-S336 PolarHBondContact O-N 3.11Å; Q334-S337 PolarHBondContact O-N 3.36Å; Q334-A338 WeakPolarHBondContact O-CB 3.27Å; Q334-A338 PolarHBondContact O-N 3.2Å |
| 335 | Y | 95.8 | Very high | 95 | Very high | 100 Ų | 100 | 45.1 Ų | 45.1 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.6 | -44.7 | -176.6 | 177.9 | -96.4 | 0 | 0 | 0 | 113.4 | H101 A104 F105 S337 A338 L339 | H101-Y335 PolarHBondContact CE1-OH 3.13Å; H101-Y335 VanDerWaalsContact CG-OH 3.28Å; H101-Y335 AromaticContact ND1-CZ 3.98Å; H101-Y335 PolarHBondContact ND1-OH 2.92Å; A104-Y335 HydrophobicContact CB-CE2 4.28Å; F105-Y335 HydrophobicContact CE1-CE2 4.47Å; Y335-S337 PolarHBondContact O-N 2.93Å; Y335-A338 WeakPolarHBondContact O-CB 3.4Å; Y335-A338 PolarHBondContact O-N 3.24Å; Y335-L339 HydrophobicContact CE1-CD2 4.28Å; Y335-L339 WeakPolarHBondContact O-CB 3.5Å; Y335-L339 PolarHBondContact O-N 2.99Å |
| 336 | S | 95.6 | Very high | 95.2 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 178.2 | 164.1 | 0 | 0 | 0 | 0 | 112 | E156 R160 Q334 L339 C340 | E156-S336 VanDerWaalsContact OE2-CB 3.24Å; E156-S336 WeakPolarHBondContact OE2-CB 3.48Å; E156-S336 PolarHBondContact OE2-OG 3.23Å; R160-S336 PolarHBondContact NH2-OG 3.49Å; Q334-S336 PolarHBondContact O-N 3.11Å; S336-L339 PolarHBondContact O-N 3.04Å; S336-C340 PolarHBondContact O-N 2.96Å; S336-C340 PolarHBondContact O-SG 3.43Å |
| 337 | S | 95.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 177.4 | -63 | 0 | 0 | 0 | 0 | 112 | R160 Q334 Y335 L339 C340 F341 | R160-S337 PolarHBondContact NH1-OG 3.22Å; R160-S337 PolarHBondContact NH2-OG 3.17Å; Q334-S337 PolarHBondContact O-N 3.36Å; Y335-S337 PolarHBondContact O-N 2.93Å; S337-L339 VanDerWaalsContact C-N 3.35Å; S337-L339 PolarHBondContact O-N 3.47Å; S337-C340 PolarHBondContact O-N 2.97Å; S337-F341 VanDerWaalsContact O-CB 3.28Å; S337-F341 WeakPolarHBondContact O-CB 3.42Å; S337-F341 PolarHBondContact O-N 3.41Å |
| 338 | A | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A104 V331 Y332 Q334 Y335 F341 T342 | A104-A338 HydrophobicContact CB-CB 4.36Å; A104-A338 VanDerWaalsContact O-CB 3.26Å; A104-A338 WeakPolarHBondContact O-CB 3.47Å; V331-A338 PolarHBondContact O-N 2.87Å; Y332-A338 HydrophobicContact CD1-CB 3.73Å; Y332-A338 HydrophobicContact CE1-CB 4.16Å; Y332-A338 HydrophobicContact CG-CB 4.21Å; Q334-A338 WeakPolarHBondContact O-CB 3.27Å; Q334-A338 PolarHBondContact O-N 3.2Å; Y335-A338 WeakPolarHBondContact O-CB 3.4Å; Y335-A338 PolarHBondContact O-N 3.24Å; A338-F341 PolarHBondContact O-N 3.37Å; A338-T342 WeakPolarHBondContact O-CB 3.3Å; A338-T342 PolarHBondContact O-N 3.27Å; A338-T342 PolarHBondContact O-OG1 3.27Å |
| 339 | L | 97.3 | Very high | 96 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -47.3 | 177.3 | -178.6 | 63 | 0 | 0 | 0 | 111.4 | A104 L152 Y335 S336 S337 F341 T342 C343 | A104-L339 HydrophobicContact CB-CB 4.07Å; A104-L339 HydrophobicContact CB-CD1 4.08Å; L152-L339 HydrophobicContact CD1-CD2 4.35Å; L152-L339 HydrophobicContact CD1-CG 4.26Å; L152-L339 HydrophobicContact CD2-CD2 4.01Å; Y335-L339 HydrophobicContact CE1-CD2 4.28Å; Y335-L339 WeakPolarHBondContact O-CB 3.5Å; Y335-L339 PolarHBondContact O-N 2.99Å; S336-L339 PolarHBondContact O-N 3.04Å; S337-L339 VanDerWaalsContact C-N 3.35Å; S337-L339 PolarHBondContact O-N 3.47Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 3.23Å; L339-T342 PolarHBondContact O-N 3.42Å; L339-C343 WeakPolarHBondContact O-CB 3.47Å; L339-C343 PolarHBondContact O-N 2.9Å; L339-C343 PolarHBondContact O-SG 3.32Å |
| 340 | C | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.7 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | E156 V311 V315 S336 S337 C343 A344 | E156-C340 VanDerWaalsContact CB-SG 3.57Å; V311-C340 HydrophobicContact CG1-CB 4.11Å; V315-C340 HydrophobicContact CG2-CB 3.79Å; S336-C340 PolarHBondContact O-N 2.96Å; S336-C340 PolarHBondContact O-SG 3.43Å; S337-C340 PolarHBondContact O-N 2.97Å; C340-C343 PolarHBondContact O-N 3.27Å; C340-A344 PolarHBondContact O-N 2.91Å |
| 341 | F | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 177.6 | -171.7 | -102.6 | 0 | 0 | 0 | 112.4 | L312 V315 A324 C328 V331 Y332 S337 A338 L339 C343 A344 W345 | L312-F341 HydrophobicContact CD2-CD2 4.08Å; L312-F341 HydrophobicContact CD2-CE2 4.01Å; V315-F341 HydrophobicContact CG1-CB 4.35Å; A324-F341 WeakPolarHBondContact O-CE2 3.44Å; C328-F341 HydrophobicContact CB-CD2 4.41Å; C328-F341 HydrophobicContact CB-CE2 3.77Å; C328-F341 HydrophobicContact CB-CZ 4.14Å; V331-F341 HydrophobicContact CB-CG 4.49Å; V331-F341 HydrophobicContact CG1-CB 4.49Å; V331-F341 HydrophobicContact CG1-CD1 3.88Å; V331-F341 HydrophobicContact CG1-CD2 4.36Å; V331-F341 HydrophobicContact CG1-CE1 4.16Å; V331-F341 HydrophobicContact CG1-CG 3.99Å; V331-F341 HydrophobicContact CG2-CB 3.62Å; V331-F341 HydrophobicContact CG2-CD1 4.47Å; V331-F341 HydrophobicContact CG2-CD2 3.95Å; V331-F341 HydrophobicContact CG2-CG 3.77Å; Y332-F341 AromaticContact CE2-CD1 3.99Å; Y332-F341 HydrophobicContact CE2-CD1 3.99Å; Y332-F341 HydrophobicContact CE2-CE1 4.29Å; S337-F341 VanDerWaalsContact O-CB 3.28Å; S337-F341 WeakPolarHBondContact O-CB 3.42Å; S337-F341 PolarHBondContact O-N 3.41Å; A338-F341 PolarHBondContact O-N 3.37Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 3.23Å; F341-C343 VanDerWaalsContact C-N 3.3Å; F341-C343 PolarHBondContact O-N 2.95Å; F341-A344 WeakPolarHBondContact O-CB 3.48Å; F341-A344 PolarHBondContact O-N 3.4Å; F341-A344 VanDerWaalsContact O-N 3.17Å; F341-W345 HydrophobicContact CD1-CD2 4.43Å; F341-W345 AromaticContact CE1-CD2 3.97Å; F341-W345 HydrophobicContact CE1-CD2 3.97Å; F341-W345 AromaticContact CE1-CE2 3.37Å; F341-W345 HydrophobicContact CE1-CE3 4.45Å; F341-W345 HydrophobicContact CE1-CH2 4.12Å; F341-W345 AromaticContact CE1-CZ2 3.48Å; F341-W345 HydrophobicContact CE1-CZ2 3.48Å; F341-W345 VanDerWaalsContact CE1-CZ2 3.48Å; F341-W345 AromaticContact CE1-NE1 3.6Å; F341-W345 AromaticContact CZ-CE2 3.69Å; F341-W345 AromaticContact CZ-CZ2 3.86Å; F341-W345 HydrophobicContact CZ-CZ2 3.86Å; F341-W345 AromaticContact CZ-NE1 3.48Å; F341-W345 PolarHBondContact O-N 3.14Å |
| 342 | T | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | L100 A103 L114 Y332 A338 L339 W345 Y346 | L100-T342 HydrophobicContact CD2-CG2 4.36Å; A103-T342 HydrophobicContact CB-CG2 3.44Å; A103-T342 VanDerWaalsContact CB-CG2 3.44Å; L114-T342 HydrophobicContact CD1-CG2 4.29Å; Y332-T342 PolarHBondContact OH-OG1 3.16Å; A338-T342 WeakPolarHBondContact O-CB 3.3Å; A338-T342 PolarHBondContact O-N 3.27Å; A338-T342 PolarHBondContact O-OG1 3.27Å; L339-T342 PolarHBondContact O-N 3.42Å; T342-W345 WeakPolarHBondContact O-CB 3.38Å; T342-W345 PolarHBondContact O-N 3.32Å; T342-Y346 PolarHBondContact O-N 3.27Å |
| 343 | C | 97.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.7 | -36.8 | 175.7 | -72 | 0 | 0 | 0 | 0 | 112.2 | M149 L152 L339 C340 F341 W345 Y346 C347 | M149-C343 HydrophobicContact CE-CB 3.89Å; M149-C343 HydrophobicContact SD-CB 3.58Å; M149-C343 VanDerWaalsContact SD-CB 3.58Å; L152-C343 HydrophobicContact CD1-CB 4.37Å; L152-C343 WeakPolarHBondContact CD1-SG 3.46Å; L339-C343 WeakPolarHBondContact O-CB 3.47Å; L339-C343 PolarHBondContact O-N 2.9Å; L339-C343 PolarHBondContact O-SG 3.32Å; C340-C343 PolarHBondContact O-N 3.27Å; F341-C343 VanDerWaalsContact C-N 3.3Å; F341-C343 PolarHBondContact O-N 2.95Å; C343-W345 VanDerWaalsContact C-N 3.34Å; C343-W345 PolarHBondContact O-N 3.34Å; C343-Y346 PolarHBondContact O-N 3.36Å; C343-C347 WeakPolarHBondContact O-CB 3.32Å; C343-C347 PolarHBondContact O-N 2.95Å; C343-C347 PolarHBondContact O-SG 3.48Å; C343-C347 VanDerWaalsContact O-SG 3.36Å |
| 344 | A | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | V311 L312 C340 F341 C347 S348 | V311-A344 HydrophobicContact CG1-CB 4.1Å; L312-A344 HydrophobicContact CD2-CB 4.07Å; L312-A344 HydrophobicContact CG-CB 4.36Å; C340-A344 PolarHBondContact O-N 2.91Å; F341-A344 WeakPolarHBondContact O-CB 3.48Å; F341-A344 PolarHBondContact O-N 3.4Å; F341-A344 VanDerWaalsContact O-N 3.17Å; A344-C347 WeakPolarHBondContact O-CB 3.4Å; A344-C347 PolarHBondContact O-N 3.39Å; A344-S348 PolarHBondContact O-N 3.24Å; A344-S348 PolarHBondContact O-OG 2.99Å |
| 345 | W | 97.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 13% | 0.129 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 173.7 | -77.2 | -2.1 | 0 | 0 | 0 | 113.4 | F107 V111 L114 L325 F341 T342 C343 C347 S348 I349 | F107-W345 AromaticContact CD2-CH2 3.7Å; F107-W345 HydrophobicContact CD2-CH2 3.7Å; F107-W345 HydrophobicContact CD2-CZ2 4.49Å; F107-W345 HydrophobicContact CD2-CZ3 4.34Å; F107-W345 AromaticContact CE2-CH2 3.26Å; F107-W345 HydrophobicContact CE2-CH2 3.26Å; F107-W345 AromaticContact CE2-CZ2 3.88Å; F107-W345 HydrophobicContact CE2-CZ2 3.88Å; F107-W345 HydrophobicContact CE2-CZ3 4.25Å; F107-W345 AromaticContact CZ-CH2 3.94Å; F107-W345 HydrophobicContact CZ-CH2 3.94Å; V111-W345 HydrophobicContact CG2-CH2 4.02Å; V111-W345 HydrophobicContact CG2-CZ3 3.85Å; L114-W345 HydrophobicContact CD1-CB 3.47Å; L114-W345 VanDerWaalsContact CD1-CB 3.47Å; L114-W345 HydrophobicContact CD1-CD2 4.46Å; L114-W345 HydrophobicContact CD1-CE3 3.88Å; L114-W345 HydrophobicContact CD1-CG 4.39Å; L325-W345 PolarHBondContact O-NE1 3Å; F341-W345 HydrophobicContact CD1-CD2 4.43Å; F341-W345 AromaticContact CE1-CD2 3.97Å; F341-W345 HydrophobicContact CE1-CD2 3.97Å; F341-W345 AromaticContact CE1-CE2 3.37Å; F341-W345 HydrophobicContact CE1-CE3 4.45Å; F341-W345 HydrophobicContact CE1-CH2 4.12Å; F341-W345 AromaticContact CE1-CZ2 3.48Å; F341-W345 HydrophobicContact CE1-CZ2 3.48Å; F341-W345 VanDerWaalsContact CE1-CZ2 3.48Å; F341-W345 AromaticContact CE1-NE1 3.6Å; F341-W345 AromaticContact CZ-CE2 3.69Å; F341-W345 AromaticContact CZ-CZ2 3.86Å; F341-W345 HydrophobicContact CZ-CZ2 3.86Å; F341-W345 AromaticContact CZ-NE1 3.48Å; F341-W345 PolarHBondContact O-N 3.14Å; T342-W345 WeakPolarHBondContact O-CB 3.38Å; T342-W345 PolarHBondContact O-N 3.32Å; C343-W345 VanDerWaalsContact C-N 3.34Å; C343-W345 PolarHBondContact O-N 3.34Å; W345-C347 VanDerWaalsContact C-N 3.32Å; W345-C347 PolarHBondContact O-N 3.11Å; W345-S348 WeakPolarHBondContact O-CB 3.1Å; W345-S348 PolarHBondContact O-N 3.47Å; W345-S348 VanDerWaalsContact O-N 3.17Å; W345-I349 WeakPolarHBondContact O-CG1 3.3Å; W345-I349 PolarHBondContact O-N 3.47Å |
| 346 | Y | 97.3 | Very high | 96.8 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.8 | -48.4 | 173.8 | 171.5 | -102.8 | 0 | 0 | 0 | 111.3 | L96 L100 L114 L117 S145 M149 T342 C343 S348 I349 V350 | L96-Y346 HydrophobicContact CD1-CD2 4.49Å; L96-Y346 HydrophobicContact CD1-CE2 3.81Å; L96-Y346 HydrophobicContact CD2-CE1 4.49Å; L100-Y346 HydrophobicContact CD2-CD2 4.27Å; L100-Y346 HydrophobicContact CD2-CG 4.01Å; L114-Y346 HydrophobicContact CD2-CD2 4.29Å; L117-Y346 HydrophobicContact CD1-CD2 4.28Å; L117-Y346 HydrophobicContact CD1-CE2 4.09Å; L117-Y346 HydrophobicContact CD2-CE2 4Å; S145-Y346 PolarHBondContact OG-OH 3.44Å; M149-Y346 HydrophobicContact CE-CD1 3.62Å; M149-Y346 HydrophobicContact CE-CE1 4.06Å; M149-Y346 HydrophobicContact SD-CD1 4.35Å; T342-Y346 PolarHBondContact O-N 3.27Å; C343-Y346 PolarHBondContact O-N 3.36Å; Y346-S348 VanDerWaalsContact C-N 3.33Å; Y346-S348 PolarHBondContact O-N 2.99Å; Y346-I349 PolarHBondContact O-N 2.92Å; Y346-V350 HydrophobicContact CD2-CG2 4.48Å; Y346-V350 HydrophobicContact CE1-CG2 4.1Å; Y346-V350 HydrophobicContact CE2-CG2 4.02Å; Y346-V350 WeakPolarHBondContact O-CG2 3.15Å; Y346-V350 PolarHBondContact O-N 2.81Å; Y346-V350 VanDerWaalsContact O-N 3.07Å |
| 347 | C | 97.4 | Very high | 96.8 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 175.9 | -76.2 | 0 | 0 | 0 | 0 | 112 | M149 I308 C343 A344 W345 I349 V350 T351 | M149-C347 VanDerWaalsContact CG-SG 3.58Å; M149-C347 PolarHBondContact SD-SG 3.39Å; I308-C347 HydrophobicContact CD1-CB 3.81Å; I308-C347 HydrophobicContact CG1-CB 3.71Å; C343-C347 WeakPolarHBondContact O-CB 3.32Å; C343-C347 PolarHBondContact O-N 2.95Å; C343-C347 PolarHBondContact O-SG 3.48Å; C343-C347 VanDerWaalsContact O-SG 3.36Å; A344-C347 WeakPolarHBondContact O-CB 3.4Å; A344-C347 PolarHBondContact O-N 3.39Å; W345-C347 VanDerWaalsContact C-N 3.32Å; W345-C347 PolarHBondContact O-N 3.11Å; C347-I349 PolarHBondContact O-N 3.16Å; C347-V350 PolarHBondContact O-N 2.79Å; C347-T351 WeakPolarHBondContact O-CB 3.3Å; C347-T351 PolarHBondContact O-N 2.88Å; C347-T351 PolarHBondContact O-OG1 3.15Å |
| 348 | S | 97.4 | Very high | 96.8 | Very high | 29 Ų | 29 | 31 Ų | 31 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.5 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | L325 A344 W345 Y346 T351 G352 | L325-S348 WeakPolarHBondContact CD1-OG 3.49Å; A344-S348 PolarHBondContact O-N 3.24Å; A344-S348 PolarHBondContact O-OG 2.99Å; W345-S348 WeakPolarHBondContact O-CB 3.1Å; W345-S348 PolarHBondContact O-N 3.47Å; W345-S348 VanDerWaalsContact O-N 3.17Å; Y346-S348 VanDerWaalsContact C-N 3.33Å; Y346-S348 PolarHBondContact O-N 2.99Å; S348-T351 PolarHBondContact O-N 3.34Å; S348-G352 PolarHBondContact O-N 3.42Å |
| 349 | I | 96.4 | Very high | 96.9 | Very high | 75 Ų | 75 | 34.9 Ų | 34.9 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.2 | -49.1 | 176 | -66.3 | 167.2 | 0 | 0 | 0 | 110.4 | L114 P118 W345 Y346 C347 T351 G352 G353 | L114-I349 HydrophobicContact CB-CD1 3.9Å; P118-I349 HydrophobicContact CG-CG2 3.94Å; W345-I349 WeakPolarHBondContact O-CG1 3.3Å; W345-I349 PolarHBondContact O-N 3.47Å; Y346-I349 PolarHBondContact O-N 2.92Å; C347-I349 PolarHBondContact O-N 3.16Å; I349-T351 PolarHBondContact O-N 3.03Å; I349-G352 PolarHBondContact O-N 3.2Å; I349-G353 PolarHBondContact O-N 3.5Å; I349-G353 VanDerWaalsContact O-N 3.09Å |
| 350 | V | 96.4 | Very high | 96.8 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 30% | 0.297 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | F300 Y346 C347 G352 G353 L354 | F300-V350 HydrophobicContact CE1-CG1 4.29Å; F300-V350 HydrophobicContact CZ-CG1 4.09Å; Y346-V350 HydrophobicContact CD2-CG2 4.48Å; Y346-V350 HydrophobicContact CE1-CG2 4.1Å; Y346-V350 HydrophobicContact CE2-CG2 4.02Å; Y346-V350 WeakPolarHBondContact O-CG2 3.15Å; Y346-V350 PolarHBondContact O-N 2.81Å; Y346-V350 VanDerWaalsContact O-N 3.07Å; C347-V350 PolarHBondContact O-N 2.79Å; V350-G352 PolarHBondContact O-N 3.24Å; V350-G353 PolarHBondContact O-N 2.97Å; V350-G353 VanDerWaalsContact O-N 3.17Å; V350-L354 HydrophobicContact CG1-CD1 4.06Å; V350-L354 HydrophobicContact CG1-CG 4.49Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 3.17Å |
| 351 | T | 97.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 179.2 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | L301 S304 L305 C347 S348 I349 L354 L355 | L301-T351 HydrophobicContact CD1-CG2 3.74Å; S304-T351 VanDerWaalsContact CB-OG1 3.26Å; S304-T351 WeakPolarHBondContact CB-OG1 3.28Å; S304-T351 PolarHBondContact OG-OG1 3.1Å; L305-T351 HydrophobicContact CD2-CG2 3.88Å; L305-T351 HydrophobicContact CG-CG2 4.04Å; C347-T351 WeakPolarHBondContact O-CB 3.3Å; C347-T351 PolarHBondContact O-N 2.88Å; C347-T351 PolarHBondContact O-OG1 3.15Å; S348-T351 PolarHBondContact O-N 3.34Å; I349-T351 PolarHBondContact O-N 3.03Å; T351-L354 PolarHBondContact O-N 3.01Å; T351-L355 VanDerWaalsContact O-CB 3.29Å; T351-L355 WeakPolarHBondContact O-CB 3.29Å; T351-L355 PolarHBondContact O-N 2.86Å |
| 352 | G | 96.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 38.8 Ų | 38.8 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S348 I349 V350 L355 H356 | S348-G352 PolarHBondContact O-N 3.42Å; I349-G352 PolarHBondContact O-N 3.2Å; V350-G352 PolarHBondContact O-N 3.24Å; G352-L355 PolarHBondContact O-N 2.89Å; G352-H356 PolarHBondContact O-N 3.42Å |
| 353 | G | 95.4 | Very high | 96.7 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | I349 V350 H356 L357 | I349-G353 PolarHBondContact O-N 3.5Å; I349-G353 VanDerWaalsContact O-N 3.09Å; V350-G353 PolarHBondContact O-N 2.97Å; V350-G353 VanDerWaalsContact O-N 3.17Å; G353-H356 WeakPolarHBondContact O-CB 3.22Å; G353-H356 PolarHBondContact O-N 3.13Å; G353-L357 WeakPolarHBondContact O-CG 3.46Å; G353-L357 PolarHBondContact O-N 2.92Å |
| 354 | L | 96.2 | Very high | 96.6 | Very high | 33 Ų | 33 | 40 Ų | 40 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70 | -34.2 | 178.3 | -68 | 175.2 | 0 | 0 | 0 | 112.8 | L297 F300 V350 T351 H356 L357 L358 | L297-L354 HydrophobicContact CD2-CD2 3.94Å; F300-L354 HydrophobicContact CD1-CD1 3.12Å; F300-L354 HydrophobicContact CD2-CD1 4.14Å; F300-L354 HydrophobicContact CE1-CD1 3.13Å; F300-L354 HydrophobicContact CE2-CD1 4.12Å; F300-L354 HydrophobicContact CG-CD1 3.68Å; F300-L354 HydrophobicContact CZ-CD1 3.65Å; V350-L354 HydrophobicContact CG1-CD1 4.06Å; V350-L354 HydrophobicContact CG1-CG 4.49Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 3.17Å; T351-L354 PolarHBondContact O-N 3.01Å; L354-H356 VanDerWaalsContact C-N 3.34Å; L354-L357 HydrophobicContact CD2-CD1 4.23Å; L354-L357 PolarHBondContact O-N 2.86Å; L354-L358 WeakPolarHBondContact O-CB 3.31Å; L354-L358 PolarHBondContact O-N 3.33Å |
| 355 | L | 97.7 | Very high | 96.6 | Very high | 90 Ų | 90 | 39.9 Ų | 39.9 | 47% | 0.471 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 171.6 | 178 | 60.6 | 0 | 0 | 0 | 110.9 | L301 T351 G352 L358 L359 | L301-L355 HydrophobicContact CD1-CB 3.83Å; L301-L355 HydrophobicContact CD1-CD1 4.2Å; L301-L355 HydrophobicContact CD2-CD1 3.87Å; T351-L355 VanDerWaalsContact O-CB 3.29Å; T351-L355 WeakPolarHBondContact O-CB 3.29Å; T351-L355 PolarHBondContact O-N 2.86Å; G352-L355 PolarHBondContact O-N 2.89Å; L355-L358 PolarHBondContact O-N 3.49Å; L355-L359 WeakPolarHBondContact O-CB 3.22Å; L355-L359 PolarHBondContact O-N 3.02Å |
| 356 | H | 95.7 | Very high | 96.5 | Very high | 108 Ų | 108 | 39.3 Ų | 39.3 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 175 | 177.2 | 70.9 | 0 | 0 | 0 | 111.7 | G352 G353 L354 L358 L359 V360 | G352-H356 PolarHBondContact O-N 3.42Å; G353-H356 WeakPolarHBondContact O-CB 3.22Å; G353-H356 PolarHBondContact O-N 3.13Å; L354-H356 VanDerWaalsContact C-N 3.34Å; H356-L358 PolarHBondContact O-N 2.88Å; H356-L359 PolarHBondContact O-N 3.1Å; H356-V360 WeakPolarHBondContact O-CG2 3.32Å; H356-V360 PolarHBondContact O-N 3.3Å |
| 357 | L | 95.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 42.9 Ų | 42.9 | 37% | 0.366 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 176 | -67 | -179.9 | 0 | 0 | 0 | 112.3 | G353 L354 L359 V360 Q361 | G353-L357 WeakPolarHBondContact O-CG 3.46Å; G353-L357 PolarHBondContact O-N 2.92Å; L354-L357 HydrophobicContact CD2-CD1 4.23Å; L354-L357 PolarHBondContact O-N 2.86Å; L357-L359 VanDerWaalsContact C-N 3.34Å; L357-L359 PolarHBondContact O-N 2.91Å; L357-V360 PolarHBondContact O-N 2.92Å; L357-Q361 WeakPolarHBondContact O-CG 3.42Å; L357-Q361 PolarHBondContact O-N 3.16Å |
| 358 | L | 97.4 | Very high | 96.3 | Very high | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.4 | 178.5 | 62.1 | 0 | 0 | 0 | 111.1 | L294 L297 V298 L301 L354 L355 H356 V360 Q361 V362 | L294-L358 HydrophobicContact CD1-CD1 3.54Å; L294-L358 HydrophobicContact CG-CD1 4.39Å; L297-L358 HydrophobicContact CB-CB 4.41Å; L297-L358 HydrophobicContact CB-CD1 4.04Å; L297-L358 HydrophobicContact CD1-CB 4.4Å; L297-L358 HydrophobicContact CD1-CD1 4.36Å; V298-L358 HydrophobicContact CG2-CD1 4.02Å; V298-L358 HydrophobicContact CG2-CD2 4.15Å; L301-L358 HydrophobicContact CD2-CD2 3.86Å; L354-L358 WeakPolarHBondContact O-CB 3.31Å; L354-L358 PolarHBondContact O-N 3.33Å; L355-L358 PolarHBondContact O-N 3.49Å; H356-L358 PolarHBondContact O-N 2.88Å; L358-V360 PolarHBondContact O-N 3.3Å; L358-Q361 PolarHBondContact O-N 3.47Å; L358-V362 HydrophobicContact CD1-CG2 4.15Å; L358-V362 HydrophobicContact CG-CG2 4.38Å; L358-V362 WeakPolarHBondContact O-CB 3.37Å; L358-V362 VanDerWaalsContact O-CG2 3.31Å; L358-V362 WeakPolarHBondContact O-CG2 3.16Å; L358-V362 PolarHBondContact O-N 3.38Å |
| 359 | L | 97.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 40.8 Ų | 40.8 | 43% | 0.429 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 177.1 | -179.8 | 66.5 | 0 | 0 | 0 | 111.3 | L355 H356 L357 Q361 V362 I363 L390 | L355-L359 WeakPolarHBondContact O-CB 3.22Å; L355-L359 PolarHBondContact O-N 3.02Å; H356-L359 PolarHBondContact O-N 3.1Å; L357-L359 VanDerWaalsContact C-N 3.34Å; L357-L359 PolarHBondContact O-N 2.91Å; L359-Q361 VanDerWaalsContact C-N 3.31Å; L359-Q361 PolarHBondContact O-N 2.92Å; L359-V362 PolarHBondContact O-N 3Å; L359-I363 HydrophobicContact CD1-CD1 4.09Å; L359-I363 HydrophobicContact CD1-CG1 4.47Å; L359-I363 HydrophobicContact CG-CD1 3.96Å; L359-I363 VanDerWaalsContact O-CG1 3.28Å; L359-I363 WeakPolarHBondContact O-CG1 3.37Å; L359-I363 PolarHBondContact O-N 3.32Å; L359-L390 HydrophobicContact CD2-CD2 4.33Å |
| 360 | V | 95.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 37.3 Ų | 37.3 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | H356 L357 L358 I363 N364 L390 | H356-V360 WeakPolarHBondContact O-CG2 3.32Å; H356-V360 PolarHBondContact O-N 3.3Å; L357-V360 PolarHBondContact O-N 2.92Å; L358-V360 PolarHBondContact O-N 3.3Å; V360-I363 PolarHBondContact O-N 3.33Å; V360-N364 VanDerWaalsContact O-CB 3.29Å; V360-N364 WeakPolarHBondContact O-CB 3.38Å; V360-N364 PolarHBondContact O-N 3.18Å; V360-L390 HydrophobicContact CG2-CD1 4.36Å |
| 361 | Q | 96.9 | Very high | 96 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 178.3 | -71.1 | -66.1 | -12 | 0 | 0 | 112.4 | D275 H290 F293 L294 L297 L357 L358 L359 I363 N364 I365 | D275-Q361 PolarHBondContact OD2-NE2 3.09Å; H290-Q361 PolarHBondContact NE2-OE1 2.86Å; H290-Q361 VanDerWaalsContact NE2-OE1 3.1Å; F293-Q361 HydrophobicContact CE1-CG 4.03Å; L294-Q361 HydrophobicContact CD1-CB 4.13Å; L297-Q361 HydrophobicContact CD1-CG 4.41Å; L357-Q361 WeakPolarHBondContact O-CG 3.42Å; L357-Q361 PolarHBondContact O-N 3.16Å; L358-Q361 PolarHBondContact O-N 3.47Å; L359-Q361 VanDerWaalsContact C-N 3.31Å; L359-Q361 PolarHBondContact O-N 2.92Å; Q361-I363 VanDerWaalsContact C-N 3.3Å; Q361-I363 PolarHBondContact O-N 3.33Å; Q361-N364 PolarHBondContact O-N 2.94Å; Q361-I365 WeakPolarHBondContact O-CB 3.41Å; Q361-I365 WeakPolarHBondContact O-CD1 3.25Å; Q361-I365 WeakPolarHBondContact O-CG1 3.43Å; Q361-I365 PolarHBondContact O-N 3.04Å |
| 362 | V | 97.1 | Very high | 95.9 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 176.1 | 164.7 | 0 | 0 | 0 | 0 | 111.2 | L294 L358 L359 S366 W405 | L294-V362 HydrophobicContact CD1-CG2 4.49Å; L358-V362 HydrophobicContact CD1-CG2 4.15Å; L358-V362 HydrophobicContact CG-CG2 4.38Å; L358-V362 WeakPolarHBondContact O-CB 3.37Å; L358-V362 VanDerWaalsContact O-CG2 3.31Å; L358-V362 WeakPolarHBondContact O-CG2 3.16Å; L358-V362 PolarHBondContact O-N 3.38Å; L359-V362 PolarHBondContact O-N 3Å; V362-S366 VanDerWaalsContact O-CB 3.29Å; V362-S366 WeakPolarHBondContact O-CB 3.44Å; V362-S366 PolarHBondContact O-N 3.27Å; V362-S366 PolarHBondContact O-OG 3.44Å; V362-W405 HydrophobicContact CB-CZ2 4.48Å; V362-W405 HydrophobicContact CG1-CZ2 4.08Å; V362-W405 HydrophobicContact CG2-CH2 4.31Å |
| 363 | I | 95.6 | Very high | 95.8 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -52.8 | 176.1 | -68.9 | 169.8 | 0 | 0 | 0 | 110 | L359 V360 Q361 I365 S366 Y367 L390 V391 | L359-I363 HydrophobicContact CD1-CD1 4.09Å; L359-I363 HydrophobicContact CD1-CG1 4.47Å; L359-I363 HydrophobicContact CG-CD1 3.96Å; L359-I363 VanDerWaalsContact O-CG1 3.28Å; L359-I363 WeakPolarHBondContact O-CG1 3.37Å; L359-I363 PolarHBondContact O-N 3.32Å; V360-I363 PolarHBondContact O-N 3.33Å; Q361-I363 VanDerWaalsContact C-N 3.3Å; Q361-I363 PolarHBondContact O-N 3.33Å; I363-I365 VanDerWaalsContact C-N 3.32Å; I363-I365 PolarHBondContact O-N 2.91Å; I363-S366 WeakPolarHBondContact O-CA 3.43Å; I363-S366 VanDerWaalsContact O-CB 3.32Å; I363-S366 WeakPolarHBondContact O-CB 3.32Å; I363-S366 PolarHBondContact O-N 2.94Å; I363-Y367 HydrophobicContact CG2-CD2 4.16Å; I363-Y367 HydrophobicContact CG2-CE2 4.31Å; I363-Y367 WeakPolarHBondContact O-CD2 3.32Å; I363-Y367 PolarHBondContact O-N 3.29Å; I363-Y367 VanDerWaalsContact O-N 3.09Å; I363-L390 HydrophobicContact CD1-CD1 4.33Å; I363-L390 HydrophobicContact CD1-CD2 3.77Å; I363-L390 HydrophobicContact CD1-CG 3.71Å; I363-V391 HydrophobicContact CG2-CB 4.45Å; I363-V391 HydrophobicContact CG2-CG2 3.98Å |
| 364 | N | 95.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.1 | -45.1 | -179.8 | -78.4 | -8.1 | 0 | 0 | 0 | 112.4 | V360 Q361 S366 Y367 N368 V369 | V360-N364 VanDerWaalsContact O-CB 3.29Å; V360-N364 WeakPolarHBondContact O-CB 3.38Å; V360-N364 PolarHBondContact O-N 3.18Å; Q361-N364 PolarHBondContact O-N 2.94Å; N364-S366 VanDerWaalsContact C-N 3.34Å; N364-S366 PolarHBondContact O-N 3.13Å; N364-Y367 CarbonylContact O-C 3.54Å; N364-Y367 PolarHBondContact O-N 3.3Å; N364-N368 PolarHBondContact O-N 3.02Å; N364-V369 CarbonylContact C-O 3.55Å; N364-V369 WeakPolarHBondContact CB-O 3.34Å; N364-V369 PolarHBondContact O-N 3.11Å |
| 365 | I | 96.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 174.5 | -66.8 | 163 | 0 | 0 | 0 | 110.7 | L294 Q361 I363 Y367 N368 W405 F408 | L294-I365 HydrophobicContact CD1-CD1 4.07Å; L294-I365 HydrophobicContact CD2-CD1 3.97Å; Q361-I365 WeakPolarHBondContact O-CB 3.41Å; Q361-I365 WeakPolarHBondContact O-CD1 3.25Å; Q361-I365 WeakPolarHBondContact O-CG1 3.43Å; Q361-I365 PolarHBondContact O-N 3.04Å; I363-I365 VanDerWaalsContact C-N 3.32Å; I363-I365 PolarHBondContact O-N 2.91Å; I365-Y367 PolarHBondContact O-N 3.09Å; I365-N368 PolarHBondContact O-N 2.87Å; I365-W405 HydrophobicContact CB-CZ2 4.29Å; I365-W405 HydrophobicContact CD1-CH2 4.44Å; I365-W405 HydrophobicContact CG2-CD2 3.87Å; I365-W405 HydrophobicContact CG2-CE3 4.05Å; I365-W405 HydrophobicContact CG2-CG 4.43Å; I365-W405 HydrophobicContact CG2-CH2 4.15Å; I365-W405 HydrophobicContact CG2-CZ2 3.95Å; I365-W405 HydrophobicContact CG2-CZ3 4.2Å; I365-F408 HydrophobicContact CD1-CD1 4.32Å; I365-F408 HydrophobicContact CD1-CD2 4.12Å; I365-F408 HydrophobicContact CD1-CE1 3.84Å; I365-F408 HydrophobicContact CD1-CE2 3.62Å; I365-F408 HydrophobicContact CD1-CG 4.46Å; I365-F408 HydrophobicContact CD1-CZ 3.47Å; I365-F408 VanDerWaalsContact CD1-CZ 3.47Å; I365-F408 HydrophobicContact CG1-CD2 3.86Å; I365-F408 HydrophobicContact CG1-CE2 3.72Å; I365-F408 HydrophobicContact CG1-CG 4.37Å; I365-F408 HydrophobicContact CG1-CZ 4.12Å; I365-F408 HydrophobicContact CG2-CB 3.87Å; I365-F408 HydrophobicContact CG2-CD1 4.03Å; I365-F408 HydrophobicContact CG2-CD2 3.96Å; I365-F408 HydrophobicContact CG2-CG 3.68Å |
| 366 | S | 95.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 41 Ų | 41 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -25.9 | 178.9 | -63.1 | 0 | 0 | 0 | 0 | 113.4 | V362 I363 N364 L401 N404 W405 | V362-S366 VanDerWaalsContact O-CB 3.29Å; V362-S366 WeakPolarHBondContact O-CB 3.44Å; V362-S366 PolarHBondContact O-N 3.27Å; V362-S366 PolarHBondContact O-OG 3.44Å; I363-S366 WeakPolarHBondContact O-CA 3.43Å; I363-S366 VanDerWaalsContact O-CB 3.32Å; I363-S366 WeakPolarHBondContact O-CB 3.32Å; I363-S366 PolarHBondContact O-N 2.94Å; N364-S366 VanDerWaalsContact C-N 3.34Å; N364-S366 PolarHBondContact O-N 3.13Å; S366-L401 WeakPolarHBondContact OG-CD1 3.23Å; S366-N404 PolarHBondContact O-ND2 3.06Å; S366-W405 PolarHBondContact OG-NE1 3.44Å |
| 367 | Y | 94.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 36 Ų | 36 | 35% | 0.349 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 3.6 | 173.2 | -72.4 | -90.8 | 0 | 0 | 0 | 113.5 | I363 N364 I365 V369 V391 D393 S398 | I363-Y367 HydrophobicContact CG2-CD2 4.16Å; I363-Y367 HydrophobicContact CG2-CE2 4.31Å; I363-Y367 WeakPolarHBondContact O-CD2 3.32Å; I363-Y367 PolarHBondContact O-N 3.29Å; I363-Y367 VanDerWaalsContact O-N 3.09Å; N364-Y367 CarbonylContact O-C 3.54Å; N364-Y367 PolarHBondContact O-N 3.3Å; I365-Y367 PolarHBondContact O-N 3.09Å; Y367-V369 WeakPolarHBondContact O-CG2 3.47Å; Y367-V369 PolarHBondContact O-N 3.44Å; Y367-V391 HydrophobicContact CD2-CG1 4.06Å; Y367-V391 HydrophobicContact CE1-CG1 4.12Å; Y367-V391 HydrophobicContact CE2-CG1 3.48Å; Y367-V391 VanDerWaalsContact CE2-CG1 3.48Å; Y367-D393 HydrophobicContact CD1-CB 3.88Å; Y367-D393 HydrophobicContact CE1-CB 4.27Å; Y367-S398 WeakPolarHBondContact O-CB 3.39Å |
| 368 | N | 95.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37.6 | -172.2 | -162.3 | -2 | 0 | 0 | 0 | 113.6 | R260 R273 N364 I365 H397 N404 E407 | R260-N368 PolarHBondContact NH1-OD1 3.48Å; R260-N368 PolarHBondContact NH2-O 2.99Å; R260-N368 PolarHBondContact NH2-OD1 2.9Å; R273-N368 PolarHBondContact NH2-OD1 3.35Å; R273-N368 VanDerWaalsContact NH2-OD1 3.12Å; N364-N368 PolarHBondContact O-N 3.02Å; I365-N368 PolarHBondContact O-N 2.87Å; N368-H397 HydrophobicContact CB-CB 4.26Å; N368-H397 PolarHBondContact ND2-O 3.45Å; N368-N404 HydrophobicContact CB-CB 4.16Å; N368-E407 PolarHBondContact ND2-OE1 3.28Å; N368-E407 PolarHBondContact ND2-OE2 3.32Å |
| 369 | V | 95.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | trans | -108.6 | 138.1 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | N364 Y367 E373 A374 T394 | N364-V369 CarbonylContact C-O 3.55Å; N364-V369 WeakPolarHBondContact CB-O 3.34Å; N364-V369 PolarHBondContact O-N 3.11Å; Y367-V369 WeakPolarHBondContact O-CG2 3.47Å; Y367-V369 PolarHBondContact O-N 3.44Å; V369-E373 HydrophobicContact CG1-CB 4.03Å; V369-A374 HydrophobicContact CG1-CB 3.85Å; V369-T394 HydrophobicContact CG1-CG2 4.15Å; V369-T394 HydrophobicContact CG2-CG2 4.07Å | ||
| 370 | T | 95.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | trans | -87.9 | 155.5 | 168.5 | 58 | 0 | 0 | 0 | 0 | 111.3 | R273 D275 R372 E373 A374 | R273-T370 HydrophobicContact CG-CG2 3.84Å; D275-T370 WeakPolarHBondContact OD1-CA 3.34Å; D275-T370 VanDerWaalsContact OD1-CB 3.3Å; D275-T370 WeakPolarHBondContact OD1-CB 3.46Å; T370-R372 PolarHBondContact O-N 2.83Å; T370-E373 WeakPolarHBondContact CB-OE2 3.5Å; T370-E373 PolarHBondContact N-OE2 3.29Å; T370-E373 PolarHBondContact O-N 2.83Å; T370-E373 VanDerWaalsContact OG1-CB 3.3Å; T370-E373 WeakPolarHBondContact OG1-CB 3.34Å; T370-E373 WeakPolarHBondContact OG1-CG 3.34Å; T370-E373 PolarHBondContact OG1-N 3.4Å; T370-E373 VanDerWaalsContact OG1-N 3.16Å; T370-E373 PolarHBondContact OG1-OE2 2.85Å; T370-A374 PolarHBondContact O-N 3.04Å | ||
| 371 | E | 94.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 23% | 0.229 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -35.5 | 176.1 | -165.7 | -161.8 | 132.3 | 0 | 0 | 111.6 | D275 H276 R375 | D275-E371 PolarHBondContact OD1-N 3.06Å; H276-E371 WeakPolarHBondContact CB-OE2 3.32Å; H276-E371 IonicContact CD2-OE2 3.1Å; H276-E371 IonicContact CG-OE2 3.63Å; H276-E371 IonicContact ND1-OE2 3.54Å; H276-E371 PolarHBondContact ND1-OE2 3.34Å; E371-R375 WeakPolarHBondContact O-CB 3.45Å; E371-R375 WeakPolarHBondContact O-CG 3.49Å; E371-R375 PolarHBondContact O-N 3.47Å; E371-R375 IonicContact OE1-CZ 3.46Å; E371-R375 IonicContact OE1-NE 3.97Å; E371-R375 IonicContact OE1-NH1 3.13Å; E371-R375 PolarHBondContact OE1-NH1 2.99Å; E371-R375 IonicContact OE1-NH2 2.63Å; E371-R375 PolarHBondContact OE1-NH2 3.32Å |
| 372 | R | 94.6 | Very high | 93.4 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 28% | 0.279 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -50.7 | 172.1 | -179.5 | 177.8 | 177 | -85.5 | -8.9 | 111.9 | L274 D275 T370 R375 V376 | L274-R372 WeakPolarHBondContact O-CB 3.44Å; D275-R372 WeakPolarHBondContact O-CB 3.48Å; D275-R372 PolarHBondContact O-N 2.8Å; T370-R372 PolarHBondContact O-N 2.83Å; R372-R375 PolarHBondContact O-N 3.29Å; R372-V376 VanDerWaalsContact O-CG2 3.32Å; R372-V376 WeakPolarHBondContact O-CG2 3.41Å; R372-V376 PolarHBondContact O-N 3.39Å |
| 373 | E | 94 | Very high | 93 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 178.9 | -74.5 | 157.8 | 172.1 | 0 | 0 | 111 | R260 V369 T370 R375 V376 A377 H397 | R260-E373 WeakPolarHBondContact CG-OE1 3.29Å; R260-E373 IonicContact CZ-OE1 3.4Å; R260-E373 IonicContact CZ-OE2 2.83Å; R260-E373 IonicContact NE-OE1 3.98Å; R260-E373 PolarHBondContact NE-OE1 2.79Å; R260-E373 IonicContact NE-OE2 3.54Å; R260-E373 IonicContact NH2-OE1 2.79Å; R260-E373 PolarHBondContact NH2-OE1 2.87Å; R260-E373 IonicContact NH2-OE2 3.74Å; R260-E373 PolarHBondContact NH2-OE2 2.89Å; V369-E373 HydrophobicContact CG1-CB 4.03Å; T370-E373 WeakPolarHBondContact CB-OE2 3.5Å; T370-E373 PolarHBondContact N-OE2 3.29Å; T370-E373 PolarHBondContact O-N 2.83Å; T370-E373 VanDerWaalsContact OG1-CB 3.3Å; T370-E373 WeakPolarHBondContact OG1-CB 3.34Å; T370-E373 WeakPolarHBondContact OG1-CG 3.34Å; T370-E373 PolarHBondContact OG1-N 3.4Å; T370-E373 VanDerWaalsContact OG1-N 3.16Å; T370-E373 PolarHBondContact OG1-OE2 2.85Å; E373-R375 PolarHBondContact O-N 3.09Å; E373-V376 PolarHBondContact O-N 2.68Å; E373-A377 WeakPolarHBondContact O-CB 3.49Å; E373-A377 PolarHBondContact O-N 3.12Å; E373-H397 IonicContact OE1-NE2 3.98Å |
| 374 | A | 92.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57 | -48.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V369 T370 V376 A377 L378 V392 | V369-A374 HydrophobicContact CG1-CB 3.85Å; T370-A374 PolarHBondContact O-N 3.04Å; A374-V376 PolarHBondContact O-N 2.99Å; A374-A377 PolarHBondContact O-N 3.22Å; A374-L378 WeakPolarHBondContact O-CB 3.35Å; A374-L378 VanDerWaalsContact O-CG 3.3Å; A374-L378 WeakPolarHBondContact O-CG 3.48Å; A374-L378 PolarHBondContact O-N 3.37Å; A374-V392 HydrophobicContact CB-CB 4.09Å; A374-V392 HydrophobicContact CB-CG1 3.81Å |
| 375 | R | 91.6 | Very high | 92.2 | Very high | 128 Ų | 128 | 68.3 Ų | 68.3 | 48% | 0.483 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 178.1 | -76.4 | -171.6 | -64.1 | -141.8 | -11.2 | 113.3 | E371 R372 E373 R379 | E371-R375 WeakPolarHBondContact O-CB 3.45Å; E371-R375 WeakPolarHBondContact O-CG 3.49Å; E371-R375 PolarHBondContact O-N 3.47Å; E371-R375 IonicContact OE1-CZ 3.46Å; E371-R375 IonicContact OE1-NE 3.97Å; E371-R375 IonicContact OE1-NH1 3.13Å; E371-R375 PolarHBondContact OE1-NH1 2.99Å; E371-R375 IonicContact OE1-NH2 2.63Å; E371-R375 PolarHBondContact OE1-NH2 3.32Å; R372-R375 PolarHBondContact O-N 3.29Å; E373-R375 PolarHBondContact O-N 3.09Å; R375-R379 WeakPolarHBondContact O-CB 3.35Å; R375-R379 PolarHBondContact O-N 3.31Å; R375-R379 VanDerWaalsContact O-N 3.11Å |
| 376 | V | 91.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 70.6 Ų | 70.6 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | R372 E373 A374 L378 R379 E380 | R372-V376 VanDerWaalsContact O-CG2 3.32Å; R372-V376 WeakPolarHBondContact O-CG2 3.41Å; R372-V376 PolarHBondContact O-N 3.39Å; E373-V376 PolarHBondContact O-N 2.68Å; A374-V376 PolarHBondContact O-N 2.99Å; V376-L378 PolarHBondContact O-N 3.38Å; V376-R379 WeakPolarHBondContact O-CB 3.47Å; V376-R379 PolarHBondContact O-N 3.47Å; V376-R379 VanDerWaalsContact O-N 3.14Å; V376-E380 HydrophobicContact CG1-CG 4.43Å; V376-E380 WeakPolarHBondContact CG1-OE1 3.07Å; V376-E380 WeakPolarHBondContact O-CB 3.39Å; V376-E380 WeakPolarHBondContact O-CG 3.15Å; V376-E380 PolarHBondContact O-N 2.97Å |
| 377 | A | 90.8 | Very high | 91 | Very high | 5 Ų | 5 | 74 Ų | 74 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | E373 A374 K381 T382 A383 T394 | E373-A377 WeakPolarHBondContact O-CB 3.49Å; E373-A377 PolarHBondContact O-N 3.12Å; A374-A377 PolarHBondContact O-N 3.22Å; A377-K381 PolarHBondContact O-N 3.36Å; A377-T382 WeakPolarHBondContact CA-OG1 3.41Å; A377-T382 PolarHBondContact O-N 3.25Å; A377-T382 PolarHBondContact O-OG1 3.25Å; A377-A383 HydrophobicContact CB-CB 3.84Å; A377-A383 PolarHBondContact O-N 3.3Å; A377-T394 HydrophobicContact CB-CG2 3.92Å |
| 378 | L | 90.6 | Very high | 90.4 | Very high | 88 Ų | 88 | 83.1 Ų | 83.1 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 173 | -74.1 | 170.8 | 0 | 0 | 0 | 112.2 | A374 V376 K381 A383 V392 | A374-L378 WeakPolarHBondContact O-CB 3.35Å; A374-L378 VanDerWaalsContact O-CG 3.3Å; A374-L378 WeakPolarHBondContact O-CG 3.48Å; A374-L378 PolarHBondContact O-N 3.37Å; V376-L378 PolarHBondContact O-N 3.38Å; L378-K381 PolarHBondContact O-N 2.95Å; L378-A383 HydrophobicContact CD2-CB 3.94Å; L378-A383 HydrophobicContact CG-CB 4.23Å; L378-V392 HydrophobicContact CD1-CG2 4.01Å; L378-V392 HydrophobicContact CD2-CG2 4.34Å; L378-V392 HydrophobicContact CG-CG1 4.21Å; L378-V392 HydrophobicContact CG-CG2 4.33Å |
| 379 | R | 91.4 | Very high | 89.6 | Confident | 212 Ų | 212 | 84.9 Ų | 84.9 | 80% | 0.8 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 177.2 | 180 | -176.3 | -66.3 | 179.1 | -1.2 | 111.9 | R375 V376 K381 | R375-R379 WeakPolarHBondContact O-CB 3.35Å; R375-R379 PolarHBondContact O-N 3.31Å; R375-R379 VanDerWaalsContact O-N 3.11Å; V376-R379 WeakPolarHBondContact O-CB 3.47Å; V376-R379 PolarHBondContact O-N 3.47Å; V376-R379 VanDerWaalsContact O-N 3.14Å; R379-K381 PolarHBondContact O-N 3.1Å |
| 380 | E | 91.4 | Very high | 89 | Confident | 127 Ų | 127 | 88 Ų | 88 | 59% | 0.593 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -1.1 | -179.3 | -67.4 | 175.7 | -178.4 | 0 | 0 | 112.8 | V376 T382 | V376-E380 HydrophobicContact CG1-CG 4.43Å; V376-E380 WeakPolarHBondContact CG1-OE1 3.07Å; V376-E380 WeakPolarHBondContact O-CB 3.39Å; V376-E380 WeakPolarHBondContact O-CG 3.15Å; V376-E380 PolarHBondContact O-N 2.97Å; E380-T382 HydrophobicContact CB-CG2 4.15Å; E380-T382 PolarHBondContact O-N 3.23Å |
| 381 | K | 88.8 | Confident | 88.6 | Confident | 195 Ų | 195 | 88.6 Ų | 88.6 | 85% | 0.848 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 30.7 | -177.1 | -56.1 | -179.2 | 178.5 | 179.8 | 0 | 113.5 | A377 L378 R379 | A377-K381 PolarHBondContact O-N 3.36Å; L378-K381 PolarHBondContact O-N 2.95Å; R379-K381 PolarHBondContact O-N 3.1Å |
| 382 | T | 89.4 | Confident | 88.3 | Confident | 90 Ų | 90 | 86.8 Ų | 86.8 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | trans | -97.7 | -11 | 176.9 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | A377 E380 | A377-T382 WeakPolarHBondContact CA-OG1 3.41Å; A377-T382 PolarHBondContact O-N 3.25Å; A377-T382 PolarHBondContact O-OG1 3.25Å; E380-T382 HydrophobicContact CB-CG2 4.15Å; E380-T382 PolarHBondContact O-N 3.23Å | ||
| 383 | A | 88.1 | Confident | 87.9 | Confident | 24 Ų | 24 | 84.3 Ų | 84.3 | 20% | 0.198 | 42% | 0.418 | C | S | . | . | trans | -73.8 | 140.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | A377 L378 V392 | A377-A383 HydrophobicContact CB-CB 3.84Å; A377-A383 PolarHBondContact O-N 3.3Å; L378-A383 HydrophobicContact CD2-CB 3.94Å; L378-A383 HydrophobicContact CG-CB 4.23Å; A383-V392 HydrophobicContact CB-CG1 3.78Å | ||
| 384 | R | 86.6 | Confident | 87.6 | Confident | 159 Ų | 159 | 84.5 Ų | 84.5 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.3 | 161.6 | -70.1 | -179.2 | -70.7 | 175.1 | 2.7 | 108.5 | D393 | R384-D393 HydrophobicContact CB-CB 4.48Å; R384-D393 IonicContact CZ-OD2 3.41Å; R384-D393 PolarHBondContact N-O 3.12Å; R384-D393 IonicContact NE-OD2 3.85Å; R384-D393 IonicContact NH2-OD2 2.76Å; R384-D393 PolarHBondContact NH2-OD2 2.85Å; R384-D393 PolarHBondContact O-N 3.25Å |
| 385 | S | 87 | Confident | 87 | Confident | 79 Ų | 79 | 86.1 Ų | 86.1 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.3 | 179.6 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | V391 | S385-V391 CarbonylContact C-O 3.5Å; S385-V391 VanDerWaalsContact CA-O 3.25Å; S385-V391 WeakPolarHBondContact CA-O 3.26Å |
| 386 | A | 85.7 | Confident | 86.8 | Confident | 51 Ų | 51 | 85 Ų | 85 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 170.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | W388 G389 L390 V391 | A386-W388 PolarHBondContact O-N 3.43Å; A386-G389 PolarHBondContact O-N 3.28Å; A386-L390 PolarHBondContact O-N 2.76Å; A386-V391 HydrophobicContact CB-CB 4.14Å; A386-V391 PolarHBondContact N-O 2.73Å; A386-V391 PolarHBondContact O-N 2.9Å; A386-V391 VanDerWaalsContact O-N 3.13Å |
| 387 | C | 82.6 | Confident | 86.8 | Confident | 93 Ų | 93 | 85.4 Ų | 85.4 | 63% | 0.628 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | 50.2 | 57.7 | 179.5 | -62.3 | 0 | 0 | 0 | 0 | 113 | G389 L390 V391 | C387-G389 PolarHBondContact O-N 3.25Å; C387-G389 VanDerWaalsContact O-N 3.09Å; C387-L390 HydrophobicContact CB-CB 4.16Å; C387-L390 VanDerWaalsContact O-CB 3.23Å; C387-L390 WeakPolarHBondContact O-CB 3.44Å; C387-L390 PolarHBondContact O-N 2.91Å; C387-V391 HydrophobicContact CB-CG2 4.31Å |
| 388 | W | 81.9 | Confident | 86.8 | Confident | 280 Ų | 280 | 87.4 Ų | 87.4 | 100% | 1.061 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | 50.9 | 33.6 | -176.8 | -71.5 | -47.8 | 0 | 0 | 0 | 114.6 | A386 | A386-W388 PolarHBondContact O-N 3.43Š|
| 389 | G | 77.6 | Confident | 86.8 | Confident | 41 Ų | 41 | 92.2 Ų | 92.2 | 42% | 0.423 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | 88 | 3.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A386 C387 V391 | A386-G389 PolarHBondContact O-N 3.28Å; C387-G389 PolarHBondContact O-N 3.25Å; C387-G389 VanDerWaalsContact O-N 3.09Å; G389-V391 VanDerWaalsContact C-N 3.34Å |
| 390 | L | 82.2 | Confident | 86.9 | Confident | 66 Ų | 66 | 83.9 Ų | 83.9 | 35% | 0.346 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -34.3 | 174.8 | -173.9 | 67.6 | 0 | 0 | 0 | 112.2 | L359 V360 I363 A386 C387 | L359-L390 HydrophobicContact CD2-CD2 4.33Å; V360-L390 HydrophobicContact CG2-CD1 4.36Å; I363-L390 HydrophobicContact CD1-CD1 4.33Å; I363-L390 HydrophobicContact CD1-CD2 3.77Å; I363-L390 HydrophobicContact CD1-CG 3.71Å; A386-L390 PolarHBondContact O-N 2.76Å; C387-L390 HydrophobicContact CB-CB 4.16Å; C387-L390 VanDerWaalsContact O-CB 3.23Å; C387-L390 WeakPolarHBondContact O-CB 3.44Å; C387-L390 PolarHBondContact O-N 2.91Å |
| 391 | V | 87.8 | Confident | 87 | Confident | 16 Ų | 16 | 82.4 Ų | 82.4 | 10% | 0.097 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124.2 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | I363 Y367 S385 A386 C387 G389 | I363-V391 HydrophobicContact CG2-CB 4.45Å; I363-V391 HydrophobicContact CG2-CG2 3.98Å; Y367-V391 HydrophobicContact CD2-CG1 4.06Å; Y367-V391 HydrophobicContact CE1-CG1 4.12Å; Y367-V391 HydrophobicContact CE2-CG1 3.48Å; Y367-V391 VanDerWaalsContact CE2-CG1 3.48Å; S385-V391 CarbonylContact C-O 3.5Å; S385-V391 VanDerWaalsContact CA-O 3.25Å; S385-V391 WeakPolarHBondContact CA-O 3.26Å; A386-V391 HydrophobicContact CB-CB 4.14Å; A386-V391 PolarHBondContact N-O 2.73Å; A386-V391 PolarHBondContact O-N 2.9Å; A386-V391 VanDerWaalsContact O-N 3.13Å; C387-V391 HydrophobicContact CB-CG2 4.31Å; G389-V391 VanDerWaalsContact C-N 3.34Å |
| 392 | V | 88 | Confident | 87.2 | Confident | 10 Ų | 10 | 83.2 Ų | 83.2 | 6% | 0.061 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 107.9 | 176 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | A374 L378 A383 | A374-V392 HydrophobicContact CB-CB 4.09Å; A374-V392 HydrophobicContact CB-CG1 3.81Å; L378-V392 HydrophobicContact CD1-CG2 4.01Å; L378-V392 HydrophobicContact CD2-CG2 4.34Å; L378-V392 HydrophobicContact CG-CG1 4.21Å; L378-V392 HydrophobicContact CG-CG2 4.33Å; A383-V392 HydrophobicContact CB-CG1 3.78Å |
| 393 | D | 87.4 | Confident | 87.5 | Confident | 23 Ų | 23 | 81.2 Ų | 81.2 | 12% | 0.123 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.4 | 174.8 | -179.9 | 32.5 | 0 | 0 | 0 | 110.9 | Y367 R384 G395 | Y367-D393 HydrophobicContact CD1-CB 3.88Å; Y367-D393 HydrophobicContact CE1-CB 4.27Å; R384-D393 HydrophobicContact CB-CB 4.48Å; R384-D393 IonicContact CZ-OD2 3.41Å; R384-D393 PolarHBondContact N-O 3.12Å; R384-D393 IonicContact NE-OD2 3.85Å; R384-D393 IonicContact NH2-OD2 2.76Å; R384-D393 PolarHBondContact NH2-OD2 2.85Å; R384-D393 PolarHBondContact O-N 3.25Å; D393-G395 PolarHBondContact OD1-N 2.81Å |
| 394 | T | 87.1 | Confident | 87.9 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 18% | 0.184 | 42% | 0.423 | C | S | . | . | trans | -90 | -20.4 | 173.2 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | V369 A377 V396 | V369-T394 HydrophobicContact CG1-CG2 4.15Å; V369-T394 HydrophobicContact CG2-CG2 4.07Å; A377-T394 HydrophobicContact CB-CG2 3.92Å; T394-V396 PolarHBondContact O-N 3.49Å; T394-V396 PolarHBondContact OG1-N 3.23Å | ||
| 395 | G | 81.1 | Confident | 88.3 | Confident | 40 Ų | 40 | 75.7 Ų | 75.7 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 70.9 | 1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D393 | D393-G395 PolarHBondContact OD1-N 2.81Š|
| 396 | V | 87.1 | Confident | 88.7 | Confident | 106 Ų | 106 | 76 Ų | 76 | 64% | 0.642 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -89.8 | -41.2 | -172.3 | -174 | 0 | 0 | 0 | 0 | 112.6 | T394 | T394-V396 PolarHBondContact O-N 3.49Å; T394-V396 PolarHBondContact OG1-N 3.23Å |
| 397 | H | 89.8 | Confident | 89.1 | Confident | 58 Ų | 58 | 75.7 Ų | 75.7 | 27% | 0.269 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -116 | -9.4 | -169.5 | -62.6 | -50.1 | 0 | 0 | 0 | 114.7 | N368 E373 R399 | N368-H397 HydrophobicContact CB-CB 4.26Å; N368-H397 PolarHBondContact ND2-O 3.45Å; E373-H397 IonicContact OE1-NE2 3.98Å; H397-R399 PolarHBondContact O-N 2.85Å |
| 398 | S | 90.9 | Very high | 89.7 | Confident | 48 Ų | 48 | 71.4 Ų | 71.4 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | trans | -73.5 | 127.5 | -176.5 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | Y367 N404 | Y367-S398 WeakPolarHBondContact O-CB 3.39Å; S398-N404 PolarHBondContact OG-ND2 3.28Å; S398-N404 VanDerWaalsContact OG-ND2 3.08Å | ||
| 399 | R | 91.8 | Very high | 90.2 | Very high | 188 Ų | 188 | 63.2 Ų | 63.2 | 71% | 0.709 | 34% | 0.341 | S | S | * | . | trans | -121.4 | 20 | 178.7 | -62.9 | 179.4 | -179 | -174 | -0.3 | 112.7 | H397 S403 N404 | H397-R399 PolarHBondContact O-N 2.85Å; R399-S403 WeakPolarHBondContact O-CB 3.21Å; R399-N404 PolarHBondContact N-OD1 2.88Å | ||
| 400 | G | 92.3 | Very high | 90.8 | Very high | 37 Ų | 37 | 63.1 Ų | 63.1 | 38% | 0.381 | 33% | 0.334 | S | S | . | . | trans | 93.7 | 154 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W402 S403 N404 | G400-W402 PolarHBondContact O-N 3.2Å; G400-S403 PolarHBondContact O-N 3.12Å; G400-N404 WeakPolarHBondContact O-CB 3.31Å; G400-N404 PolarHBondContact O-N 3.25Å; G400-N404 PolarHBondContact O-ND2 3.19Å; G400-N404 PolarHBondContact O-OD1 3.44Å | ||
| 401 | L | 93.5 | Very high | 91 | Very high | 96 Ų | 96 | 60.2 Ų | 60.2 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -49.4 | -58 | -170.1 | -173.6 | 78.9 | 0 | 0 | 0 | 112.5 | S366 S403 N404 W405 | S366-L401 WeakPolarHBondContact OG-CD1 3.23Å; L401-S403 PolarHBondContact O-N 2.89Å; L401-N404 PolarHBondContact O-N 3.48Å; L401-W405 VanDerWaalsContact O-CD1 3.25Å; L401-W405 PolarHBondContact O-N 2.92Å |
| 402 | W | 94.4 | Very high | 90.1 | Very high | 213 Ų | 213 | 60.9 Ų | 60.9 | 81% | 0.807 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | -176.4 | -67.8 | 107.9 | 0 | 0 | 0 | 112.6 | G400 N404 W405 T406 | G400-W402 PolarHBondContact O-N 3.2Å; W402-N404 VanDerWaalsContact C-N 3.31Å; W402-N404 PolarHBondContact O-N 3.19Å; W402-W405 PolarHBondContact O-N 3.32Å; W402-T406 WeakPolarHBondContact O-CG2 3.45Å; W402-T406 PolarHBondContact O-N 3.22Å; W402-T406 PolarHBondContact O-OG1 3.04Å; W402-T406 VanDerWaalsContact O-OG1 3.11Å |
| 403 | S | 95 | Very high | 89.3 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 112 | R399 G400 L401 T406 E407 | R399-S403 WeakPolarHBondContact O-CB 3.21Å; G400-S403 PolarHBondContact O-N 3.12Å; L401-S403 PolarHBondContact O-N 2.89Å; S403-T406 WeakPolarHBondContact CA-OG1 3.49Å; S403-T406 PolarHBondContact O-OG1 2.77Å; S403-E407 VanDerWaalsContact O-CB 3.31Å; S403-E407 WeakPolarHBondContact O-CB 3.4Å; S403-E407 PolarHBondContact O-N 3.42Å |
| 404 | N | 95.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 179.8 | -66.9 | -16.7 | 0 | 0 | 0 | 110.8 | S366 N368 S398 R399 G400 L401 W402 F408 | S366-N404 PolarHBondContact O-ND2 3.06Å; N368-N404 HydrophobicContact CB-CB 4.16Å; S398-N404 PolarHBondContact OG-ND2 3.28Å; S398-N404 VanDerWaalsContact OG-ND2 3.08Å; R399-N404 PolarHBondContact N-OD1 2.88Å; G400-N404 WeakPolarHBondContact O-CB 3.31Å; G400-N404 PolarHBondContact O-N 3.25Å; G400-N404 PolarHBondContact O-ND2 3.19Å; G400-N404 PolarHBondContact O-OD1 3.44Å; L401-N404 PolarHBondContact O-N 3.48Å; W402-N404 VanDerWaalsContact C-N 3.31Å; W402-N404 PolarHBondContact O-N 3.19Å; N404-F408 WeakPolarHBondContact O-CB 3.5Å; N404-F408 PolarHBondContact O-N 2.96Å |
| 405 | W | 96.4 | Very high | 87 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 25% | 0.25 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 177.5 | -82.7 | 92.8 | 0 | 0 | 0 | 113 | L294 V362 I365 S366 L401 W402 F408 M409 | L294-W405 HydrophobicContact CD2-CH2 4.09Å; L294-W405 HydrophobicContact CD2-CZ3 3.95Å; V362-W405 HydrophobicContact CB-CZ2 4.48Å; V362-W405 HydrophobicContact CG1-CZ2 4.08Å; V362-W405 HydrophobicContact CG2-CH2 4.31Å; I365-W405 HydrophobicContact CB-CZ2 4.29Å; I365-W405 HydrophobicContact CD1-CH2 4.44Å; I365-W405 HydrophobicContact CG2-CD2 3.87Å; I365-W405 HydrophobicContact CG2-CE3 4.05Å; I365-W405 HydrophobicContact CG2-CG 4.43Å; I365-W405 HydrophobicContact CG2-CH2 4.15Å; I365-W405 HydrophobicContact CG2-CZ2 3.95Å; I365-W405 HydrophobicContact CG2-CZ3 4.2Å; S366-W405 PolarHBondContact OG-NE1 3.44Å; L401-W405 VanDerWaalsContact O-CD1 3.25Å; L401-W405 PolarHBondContact O-N 2.92Å; W402-W405 PolarHBondContact O-N 3.32Å; W405-F408 PolarHBondContact O-N 2.93Å; W405-M409 WeakPolarHBondContact O-CG 3.32Å; W405-M409 PolarHBondContact O-N 2.93Å |
| 406 | T | 94.9 | Very high | 85.7 | Confident | 87 Ų | 87 | 78.1 Ų | 78.1 | 53% | 0.534 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 175.4 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | W402 S403 S410 | W402-T406 WeakPolarHBondContact O-CG2 3.45Å; W402-T406 PolarHBondContact O-N 3.22Å; W402-T406 PolarHBondContact O-OG1 3.04Å; W402-T406 VanDerWaalsContact O-OG1 3.11Å; S403-T406 WeakPolarHBondContact CA-OG1 3.49Å; S403-T406 PolarHBondContact O-OG1 2.77Å; T406-S410 WeakPolarHBondContact O-CB 3.39Å; T406-S410 PolarHBondContact O-N 2.76Å; T406-S410 VanDerWaalsContact O-N 3.12Å; T406-S410 PolarHBondContact O-OG 3.36Å |
| 407 | E | 93.3 | Very high | 83.8 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 20% | 0.201 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 172.1 | -173.8 | -175.5 | 143.5 | 0 | 0 | 110.8 | N368 S403 S410 M411 | N368-E407 PolarHBondContact ND2-OE1 3.28Å; N368-E407 PolarHBondContact ND2-OE2 3.32Å; S403-E407 VanDerWaalsContact O-CB 3.31Å; S403-E407 WeakPolarHBondContact O-CB 3.4Å; S403-E407 PolarHBondContact O-N 3.42Å; E407-S410 PolarHBondContact O-N 3.05Å; E407-S410 PolarHBondContact O-OG 3.01Å; E407-S410 VanDerWaalsContact O-OG 3.1Å; E407-M411 WeakPolarHBondContact O-CG 3.35Å; E407-M411 PolarHBondContact O-N 3.03Å |
| 408 | F | 94.9 | Very high | 81.7 | Confident | 3 Ų | 3 | 80 Ų | 80 | 1% | 0.013 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 179.1 | 177.6 | -97.7 | 0 | 0 | 0 | 112.6 | H290 V291 L294 I365 N404 W405 S410 M411 | H290-F408 HydrophobicContact CB-CE2 3.84Å; H290-F408 HydrophobicContact CB-CZ 4.14Å; H290-F408 AromaticContact CD2-CE2 3.71Å; H290-F408 AromaticContact CD2-CZ 3.87Å; H290-F408 AromaticContact CG-CE2 3.54Å; H290-F408 AromaticContact ND1-CE2 3.88Å; V291-F408 HydrophobicContact CB-CE1 4.47Å; V291-F408 HydrophobicContact CG2-CD1 4.23Å; V291-F408 HydrophobicContact CG2-CE1 3.78Å; V291-F408 HydrophobicContact CG2-CZ 4.06Å; L294-F408 HydrophobicContact CD2-CE1 3.88Å; L294-F408 HydrophobicContact CD2-CZ 4.31Å; I365-F408 HydrophobicContact CD1-CD1 4.32Å; I365-F408 HydrophobicContact CD1-CD2 4.12Å; I365-F408 HydrophobicContact CD1-CE1 3.84Å; I365-F408 HydrophobicContact CD1-CE2 3.62Å; I365-F408 HydrophobicContact CD1-CG 4.46Å; I365-F408 HydrophobicContact CD1-CZ 3.47Å; I365-F408 VanDerWaalsContact CD1-CZ 3.47Å; I365-F408 HydrophobicContact CG1-CD2 3.86Å; I365-F408 HydrophobicContact CG1-CE2 3.72Å; I365-F408 HydrophobicContact CG1-CG 4.37Å; I365-F408 HydrophobicContact CG1-CZ 4.12Å; I365-F408 HydrophobicContact CG2-CB 3.87Å; I365-F408 HydrophobicContact CG2-CD1 4.03Å; I365-F408 HydrophobicContact CG2-CD2 3.96Å; I365-F408 HydrophobicContact CG2-CG 3.68Å; N404-F408 WeakPolarHBondContact O-CB 3.5Å; N404-F408 PolarHBondContact O-N 2.96Å; W405-F408 PolarHBondContact O-N 2.93Å; F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 3.37Å; F408-M411 HydrophobicContact CB-CE 4.38Å; F408-M411 HydrophobicContact CD2-CE 3.2Å; F408-M411 HydrophobicContact CD2-SD 4.45Å; F408-M411 HydrophobicContact CE2-CE 3.56Å; F408-M411 HydrophobicContact CG-CE 3.94Å; F408-M411 WeakPolarHBondContact O-CB 3.42Å; F408-M411 WeakPolarHBondContact O-CE 3.37Å; F408-M411 WeakPolarHBondContact O-CG 3.39Å; F408-M411 PolarHBondContact O-N 2.77Å |
| 409 | M | 93.8 | Very high | 79 | Confident | 108 Ų | 108 | 81.2 Ų | 81.2 | 53% | 0.532 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.3 | -29.6 | -178.2 | -66.9 | -60.1 | -70.4 | 0 | 0 | 112.6 | V291 W405 | V291-M409 HydrophobicContact CG1-CE 4.31Å; V291-M409 HydrophobicContact CG1-SD 4.27Å; W405-M409 WeakPolarHBondContact O-CG 3.32Å; W405-M409 PolarHBondContact O-N 2.93Å |
| 410 | S | 89.8 | Confident | 76.4 | Confident | 39 Ų | 39 | 78.1 Ų | 78.1 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.1 | 178.7 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | T406 E407 F408 G412 D413 | T406-S410 WeakPolarHBondContact O-CB 3.39Å; T406-S410 PolarHBondContact O-N 2.76Å; T406-S410 VanDerWaalsContact O-N 3.12Å; T406-S410 PolarHBondContact O-OG 3.36Å; E407-S410 PolarHBondContact O-N 3.05Å; E407-S410 PolarHBondContact O-OG 3.01Å; E407-S410 VanDerWaalsContact O-OG 3.1Å; F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 3.37Å; S410-G412 VanDerWaalsContact C-N 3.26Å; S410-G412 PolarHBondContact O-N 2.91Å; S410-D413 PolarHBondContact O-N 2.99Å |
| 411 | M | 85.1 | Confident | 73.8 | Confident | 6 Ų | 6 | 81.6 Ų | 81.6 | 3% | 0.03 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.8 | -31.6 | -176.6 | -69.8 | -169.1 | -59.9 | 0 | 0 | 113.7 | R273 Q287 H290 E407 F408 | R273-M411 WeakPolarHBondContact CD-SD 3.35Å; Q287-M411 HydrophobicContact CG-CB 3.99Å; Q287-M411 HydrophobicContact CG-SD 4.29Å; H290-M411 HydrophobicContact CB-CE 4.23Å; E407-M411 WeakPolarHBondContact O-CG 3.35Å; E407-M411 PolarHBondContact O-N 3.03Å; F408-M411 HydrophobicContact CB-CE 4.38Å; F408-M411 HydrophobicContact CD2-CE 3.2Å; F408-M411 HydrophobicContact CD2-SD 4.45Å; F408-M411 HydrophobicContact CE2-CE 3.56Å; F408-M411 HydrophobicContact CG-CE 3.94Å; F408-M411 WeakPolarHBondContact O-CB 3.42Å; F408-M411 WeakPolarHBondContact O-CE 3.37Å; F408-M411 WeakPolarHBondContact O-CG 3.39Å; F408-M411 PolarHBondContact O-N 2.77Å |
| 412 | G | 70.8 | Confident | 70.8 | Confident | 30 Ų | 30 | 82 Ų | 82 | 31% | 0.309 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71 | -31.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S410 | S410-G412 VanDerWaalsContact C-N 3.26Å; S410-G412 PolarHBondContact O-N 2.91Å |
| 413 | D | 71.3 | Confident | 68.1 | Low | 100 Ų | 100 | 80.3 Ų | 80.3 | 54% | 0.535 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.3 | -35.6 | -178.9 | -60.4 | -31.7 | 0 | 0 | 0 | 111.3 | S410 L415 R416 L417 | S410-D413 PolarHBondContact O-N 2.99Å; D413-L415 PolarHBondContact O-N 3.26Å; D413-R416 WeakPolarHBondContact O-CB 3.46Å; D413-R416 PolarHBondContact O-N 3.08Å; D413-L417 PolarHBondContact O-N 3.14Å |
| 414 | K | 62.3 | Low | 65 | Low | 116 Ų | 116 | 88 Ų | 88 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -29.1 | 177.3 | -66.9 | 179.2 | -176.4 | 175.1 | 0 | 113.2 | R416 S418 | K414-R416 VanDerWaalsContact C-N 3.35Å; K414-S418 PolarHBondContact O-N 3.33Å; K414-S418 PolarHBondContact O-OG 3.22Å |
| 415 | L | 63.2 | Low | 63.4 | Low | 47 Ų | 47 | 92.3 Ų | 92.3 | 25% | 0.246 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -73.8 | -26.6 | 176.3 | -71.6 | 165.7 | 0 | 0 | 0 | 112.6 | L272 Q287 A288 D413 S418 | L272-L415 HydrophobicContact CD1-CD2 3.7Å; Q287-L415 HydrophobicContact CB-CD1 4.48Å; Q287-L415 HydrophobicContact CG-CD1 4.18Å; A288-L415 HydrophobicContact CB-CD1 3.46Å; A288-L415 VanDerWaalsContact CB-CD1 3.46Å; D413-L415 PolarHBondContact O-N 3.26Å; L415-S418 WeakPolarHBondContact CA-OG 3.43Å; L415-S418 PolarHBondContact O-OG 3.45Å |
| 416 | R | 52.9 | Low | 61.7 | Low | 202 Ų | 202 | 93.7 Ų | 93.7 | 76% | 0.762 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -77.5 | -35.2 | 176.9 | -64.6 | -176.8 | -179.4 | -134.2 | 3.5 | 111.9 | D413 K414 S418 S419 | D413-R416 WeakPolarHBondContact O-CB 3.46Å; D413-R416 PolarHBondContact O-N 3.08Å; K414-R416 VanDerWaalsContact C-N 3.35Å; R416-S418 VanDerWaalsContact C-N 3.33Å; R416-S419 VanDerWaalsContact O-CB 3.32Å; R416-S419 WeakPolarHBondContact O-CB 3.35Å; R416-S419 PolarHBondContact O-N 3.11Å |
| 417 | L | 47.3 | Very low | 59.8 | Low | 111 Ų | 111 | 94.1 Ų | 94.1 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.8 | -27 | 175.3 | -100.3 | 83.7 | 0 | 0 | 0 | 113.3 | D413 S419 | D413-L417 PolarHBondContact O-N 3.14Å; L417-S419 PolarHBondContact O-N 3.25Å; L417-S419 VanDerWaalsContact O-N 3.09Å |
| 418 | S | 45.6 | Very low | 57.9 | Low | 93 Ų | 93 | 97.1 Ų | 97.1 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 11.3 | 174.2 | 45 | 0 | 0 | 0 | 0 | 114.8 | K414 L415 R416 | K414-S418 PolarHBondContact O-N 3.33Å; K414-S418 PolarHBondContact O-OG 3.22Å; L415-S418 WeakPolarHBondContact CA-OG 3.43Å; L415-S418 PolarHBondContact O-OG 3.45Å; R416-S418 VanDerWaalsContact C-N 3.33Å |
| 419 | S | 35.5 | Very low | 55.6 | Low | 72 Ų | 72 | 102.9 Ų | 102.9 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -82.8 | 146.3 | 166.5 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | R416 L417 T421 | R416-S419 VanDerWaalsContact O-CB 3.32Å; R416-S419 WeakPolarHBondContact O-CB 3.35Å; R416-S419 PolarHBondContact O-N 3.11Å; L417-S419 PolarHBondContact O-N 3.25Å; L417-S419 VanDerWaalsContact O-N 3.09Å; S419-T421 VanDerWaalsContact C-N 3.28Å; S419-T421 PolarHBondContact O-N 3.34Å |
| 420 | P | 36.5 | Very low | 53 | Low | 124 Ų | 124 | 102.6 Ų | 102.6 | 81% | 0.805 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 45.4 | -141.1 | 33.6 | -38.1 | 0 | 0 | 0 | 116.6 | ||
| 421 | T | 36.4 | Very low | 50.4 | Low | 109 Ų | 109 | 107.1 Ų | 107.1 | 67% | 0.669 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -9.9 | 175.4 | 38.8 | 0 | 0 | 0 | 0 | 114.9 | S419 | S419-T421 VanDerWaalsContact C-N 3.28Å; S419-T421 PolarHBondContact O-N 3.34Å |
| 422 | D | 31.4 | Very low | 47.7 | Very low | 106 Ų | 106 | 114.9 Ų | 114.9 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -102.4 | 24.7 | -172.9 | -67.2 | -3.4 | 0 | 0 | 0 | 114.1 | ||
| 423 | L | 36.9 | Very low | 45.8 | Very low | 176 Ų | 176 | 122 Ų | 122 | 92% | 0.921 | 67% | 0.667 | S | S | * | * | trans | -128.6 | 75.7 | 166.3 | -69.9 | 172.3 | 0 | 0 | 0 | 109.2 | ||||
| 424 | V | 30.1 | Very low | 43.5 | Very low | 208 Ų | 208 | 124 Ų | 124 | 100% | 1.261 | 68% | 0.679 | S | S | * | * | trans | -121.4 | 0 | 162.5 | 178.2 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 424 of 424 residues in 119.9 ms
(Link to these results)