| 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 | 34 | Very low | 69 | Low | 243 Ų | 243 | 103.8 Ų | 103.8 | 100% | 1.197 | 59% | 0.593 | S | S | * | * | 0 | 100.1 | 0 | -64.8 | -161.8 | -138.3 | 0 | 0 | 106.5 | A3 | M1-A3 PolarHBondContact O-N 2.9Š| |||
| 2 | A | 39.6 | Very low | 71 | Confident | 101 Ų | 101 | 95.2 Ų | 95.2 | 84% | 0.835 | 54% | 0.543 | S | S | * | . | trans | -69 | 114.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | E4 | A2-E4 PolarHBondContact O-N 2.96Š| ||
| 3 | A | 41.2 | Very low | 72.6 | Confident | 87 Ų | 87 | 94.6 Ų | 94.6 | 72% | 0.719 | 54% | 0.538 | S | S | * | . | trans | -54.4 | 129.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | M1 R5 | M1-A3 PolarHBondContact O-N 2.9Å; A3-R5 PolarHBondContact O-N 3.03Å | ||
| 4 | E | 53.2 | Low | 74 | Confident | 189 Ų | 189 | 99.4 Ų | 99.4 | 88% | 0.883 | 55% | 0.553 | S | S | * | * | trans | -58.2 | 90.3 | 172.3 | -69.8 | 174 | 165.6 | 0 | 0 | 107.6 | A2 S6 | A2-E4 PolarHBondContact O-N 2.96Å; E4-S6 VanDerWaalsContact C-N 3.29Å; E4-S6 PolarHBondContact O-N 3.06Å | ||
| 5 | R | 69.8 | Low | 75.3 | Confident | 139 Ų | 139 | 97.2 Ų | 97.2 | 53% | 0.525 | 54% | 0.54 | S | S | . | . | trans | -68.7 | 92.7 | 174.1 | -101.7 | 178.5 | 169.7 | 173.3 | -6 | 106.2 | A3 E25 W36 | A3-R5 PolarHBondContact O-N 3.03Å; R5-E25 IonicContact CZ-OE1 3.41Å; R5-E25 IonicContact NH1-OE1 3.63Å; R5-E25 PolarHBondContact NH1-OE1 3Å; R5-E25 IonicContact NH2-OE1 3.26Å; R5-W36 HydrophobicContact CB-CZ2 4.3Å; R5-W36 WeakPolarHBondContact O-CZ2 3.37Å; R5-W36 PolarHBondContact O-NE1 2.89Å | ||
| 6 | S | 76.2 | Confident | 76.4 | Confident | 103 Ų | 103 | 93 Ų | 93 | 72% | 0.72 | 52% | 0.519 | S | S | * | . | trans | -89.6 | 127.9 | 169.8 | 63.6 | 0 | 0 | 0 | 0 | 109.3 | E4 | E4-S6 VanDerWaalsContact C-N 3.29Å; E4-S6 PolarHBondContact O-N 3.06Å | ||
| 7 | F | 86.6 | Confident | 77.4 | Confident | 23 Ų | 23 | 93.5 Ų | 93.5 | 10% | 0.101 | 52% | 0.516 | C | S | . | . | trans | -95.4 | 107.8 | 172.2 | -63.9 | -84.6 | 0 | 0 | 0 | 108.2 | F11 A22 L23 A26 W36 Q39 | F7-F11 AromaticContact CD1-CD1 3.84Å; F7-F11 HydrophobicContact CD1-CD1 3.84Å; F7-F11 AromaticContact CD1-CE1 3.65Å; F7-F11 HydrophobicContact CD1-CE1 3.65Å; F7-F11 AromaticContact CE1-CE1 4Å; F7-F11 HydrophobicContact CE1-CE1 4Å; F7-A22 HydrophobicContact CE1-CB 3.61Å; F7-A22 HydrophobicContact CZ-CB 4.09Å; F7-L23 HydrophobicContact CB-CD2 4.1Å; F7-L23 HydrophobicContact CD1-CD2 4.18Å; F7-L23 HydrophobicContact CD1-CG 4.02Å; F7-L23 HydrophobicContact CD2-CD2 3.3Å; F7-L23 HydrophobicContact CD2-CG 4.02Å; F7-L23 HydrophobicContact CE1-CD2 4.47Å; F7-L23 HydrophobicContact CE1-CG 4.17Å; F7-L23 HydrophobicContact CE2-CD2 3.65Å; F7-L23 HydrophobicContact CE2-CG 4.16Å; F7-L23 HydrophobicContact CG-CD2 3.59Å; F7-L23 HydrophobicContact CG-CG 3.93Å; F7-L23 HydrophobicContact CZ-CD2 4.22Å; F7-L23 HydrophobicContact CZ-CG 4.23Å; F7-A26 HydrophobicContact CE2-CB 3.74Å; F7-A26 HydrophobicContact CZ-CB 3.94Å; F7-W36 AromaticContact CD2-CD1 3.76Å; F7-W36 HydrophobicContact CD2-CG 4.31Å; F7-W36 AromaticContact CD2-NE1 3.72Å; F7-W36 HydrophobicContact CE2-CD2 4.39Å; F7-W36 HydrophobicContact CE2-CG 4.47Å; F7-W36 AromaticContact CE2-NE1 3.99Å; F7-Q39 HydrophobicContact CB-CB 4.4Å; F7-Q39 HydrophobicContact CB-CG 4.4Å | ||
| 8 | S | 89.1 | Confident | 78.3 | Confident | 56 Ų | 56 | 94.6 Ų | 94.6 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | trans | -80.8 | 152.3 | 175.8 | 61.9 | 0 | 0 | 0 | 0 | 111 | S10 F11 I12 | S8-S10 PolarHBondContact O-N 3.07Å; S8-S10 PolarHBondContact OG-OG 3.25Å; S8-F11 WeakPolarHBondContact O-CB 3.25Å; S8-F11 PolarHBondContact O-N 3.2Å; S8-I12 PolarHBondContact O-N 3.47Å | ||
| 9 | D | 88.3 | Confident | 79.1 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 32% | 0.316 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54 | -38.5 | 175.2 | -68.9 | 33 | 0 | 0 | 0 | 111.4 | F11 I12 D13 Q39 Y42 R73 | D9-F11 VanDerWaalsContact C-N 3.3Å; D9-F11 PolarHBondContact O-N 3.14Å; D9-I12 PolarHBondContact O-N 2.81Å; D9-D13 VanDerWaalsContact O-CG 3.22Å; D9-D13 PolarHBondContact O-N 2.86Å; D9-Q39 PolarHBondContact OD1-NE2 3.48Å; D9-Q39 PolarHBondContact OD1-OE1 2.83Å; D9-Y42 HydrophobicContact CB-CE1 4.36Å; D9-R73 IonicContact OD2-NH2 3.53Å; D9-R73 PolarHBondContact OD2-NH2 3.22Å |
| 10 | S | 90.2 | Very high | 79.8 | Confident | 81 Ų | 81 | 86.1 Ų | 86.1 | 57% | 0.566 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.7 | -35.1 | 177.1 | 65.9 | 0 | 0 | 0 | 0 | 114.2 | S8 I12 E14 | S8-S10 PolarHBondContact O-N 3.07Å; S8-S10 PolarHBondContact OG-OG 3.25Å; S10-I12 VanDerWaalsContact C-N 3.34Å; S10-E14 PolarHBondContact O-N 2.92Å |
| 11 | F | 91.4 | Very high | 80.5 | Confident | 61 Ų | 61 | 88.1 Ų | 88.1 | 27% | 0.268 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.1 | -35.1 | 177.9 | 169 | -106.2 | 0 | 0 | 0 | 111 | F7 S8 D9 D15 A19 | F7-F11 AromaticContact CD1-CD1 3.84Å; F7-F11 HydrophobicContact CD1-CD1 3.84Å; F7-F11 AromaticContact CD1-CE1 3.65Å; F7-F11 HydrophobicContact CD1-CE1 3.65Å; F7-F11 AromaticContact CE1-CE1 4Å; F7-F11 HydrophobicContact CE1-CE1 4Å; S8-F11 WeakPolarHBondContact O-CB 3.25Å; S8-F11 PolarHBondContact O-N 3.2Å; D9-F11 VanDerWaalsContact C-N 3.3Å; D9-F11 PolarHBondContact O-N 3.14Å; F11-D15 PolarHBondContact O-N 3.25Å; F11-A19 HydrophobicContact CD1-CB 3.85Å; F11-A19 HydrophobicContact CE1-CB 3.53Å; F11-A19 HydrophobicContact CZ-CB 4.28Å |
| 12 | I | 92.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -74.6 | -36.7 | 178.7 | -60.8 | 160 | 0 | 0 | 0 | 110.8 | S8 D9 S10 E14 D15 P16 A19 Q39 Y42 A43 L46 | S8-I12 PolarHBondContact O-N 3.47Å; D9-I12 PolarHBondContact O-N 2.81Å; S10-I12 VanDerWaalsContact C-N 3.34Å; I12-E14 VanDerWaalsContact C-N 3.32Å; I12-E14 PolarHBondContact O-N 2.87Å; I12-D15 CarbonylContact O-C 3.5Å; I12-P16 VanDerWaalsContact O-CA 3.3Å; I12-P16 WeakPolarHBondContact O-CA 3.44Å; I12-P16 WeakPolarHBondContact O-CD 3.16Å; I12-P16 VanDerWaalsContact O-N 3.14Å; I12-A19 HydrophobicContact CB-CB 4.25Å; I12-A19 HydrophobicContact CG1-CB 3.83Å; I12-A19 HydrophobicContact CG2-CB 4.45Å; I12-Q39 HydrophobicContact CD1-CB 3.8Å; I12-Q39 HydrophobicContact CD1-CG 4.19Å; I12-Y42 HydrophobicContact CB-CD1 3.98Å; I12-Y42 HydrophobicContact CB-CE1 4.16Å; I12-Y42 HydrophobicContact CD1-CD1 3.97Å; I12-Y42 HydrophobicContact CG2-CD1 3.55Å; I12-Y42 HydrophobicContact CG2-CE1 3.9Å; I12-Y42 HydrophobicContact CG2-CG 4.36Å; I12-A43 HydrophobicContact CG2-CB 3.8Å; I12-L46 HydrophobicContact CG2-CD1 3.92Å |
| 13 | D | 91.1 | Very high | 85.9 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 47% | 0.471 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -33.3 | 176.3 | -67.7 | -22.6 | 0 | 0 | 0 | 112.7 | D9 Y42 | D9-D13 VanDerWaalsContact O-CG 3.22Å; D9-D13 PolarHBondContact O-N 2.86Å; D13-Y42 VanDerWaalsContact OD1-CE1 3.28Å; D13-Y42 WeakPolarHBondContact OD1-CE1 3.46Å; D13-Y42 VanDerWaalsContact OD1-CZ 3.27Å; D13-Y42 PolarHBondContact OD1-OH 2.91Å |
| 14 | E | 93.1 | Very high | 88.4 | Confident | 161 Ų | 161 | 71.4 Ų | 71.4 | 75% | 0.752 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.1 | -48.4 | 179.6 | -173.9 | -179.5 | 105.8 | 0 | 0 | 112 | S10 I12 | S10-E14 PolarHBondContact O-N 2.92Å; I12-E14 VanDerWaalsContact C-N 3.32Å; I12-E14 PolarHBondContact O-N 2.87Å |
| 15 | D | 93.3 | Very high | 90.3 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | trans | -149.2 | 93 | 178.3 | -169.7 | -28.2 | 0 | 0 | 0 | 110.6 | F11 I12 Q17 K18 A19 | F11-D15 PolarHBondContact O-N 3.25Å; I12-D15 CarbonylContact O-C 3.5Å; D15-Q17 PolarHBondContact O-N 3.04Å; D15-Q17 PolarHBondContact OD1-N 3.28Å; D15-K18 HydrophobicContact CB-CB 3.95Å; D15-K18 VanDerWaalsContact CG-CB 3.42Å; D15-K18 PolarHBondContact O-N 2.92Å; D15-K18 WeakPolarHBondContact OD1-CB 3.34Å; D15-K18 PolarHBondContact OD1-N 3.42Å; D15-A19 WeakPolarHBondContact O-CB 3.28Å; D15-A19 PolarHBondContact O-N 3.15Å | ||
| 16 | P | 92.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 20% | 0.195 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.6 | -25.3 | -175.7 | 25.8 | -34.1 | 0 | 0 | 0 | 112.7 | I12 L20 L46 L47 | I12-P16 VanDerWaalsContact O-CA 3.3Å; I12-P16 WeakPolarHBondContact O-CA 3.44Å; I12-P16 WeakPolarHBondContact O-CD 3.16Å; I12-P16 VanDerWaalsContact O-N 3.14Å; P16-L20 VanDerWaalsContact O-CB 3.28Å; P16-L20 WeakPolarHBondContact O-CB 3.4Å; P16-L20 PolarHBondContact O-N 2.66Å; P16-L46 HydrophobicContact CB-CB 3.96Å; P16-L46 HydrophobicContact CB-CD1 4.15Å; P16-L46 HydrophobicContact CG-CB 4.27Å; P16-L47 HydrophobicContact CB-CD2 4.19Å; P16-L47 HydrophobicContact CB-CG 4.05Å; P16-L47 HydrophobicContact CG-CD2 3.9Å; P16-L47 HydrophobicContact CG-CG 4.28Å |
| 17 | Q | 93.8 | Very high | 91.9 | Very high | 101 Ų | 101 | 57.2 Ų | 57.2 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72.9 | -49.1 | 179.1 | -166.5 | 71.5 | 17.5 | 0 | 0 | 110.3 | D15 A19 L20 E21 L47 | D15-Q17 PolarHBondContact O-N 3.04Å; D15-Q17 PolarHBondContact OD1-N 3.28Å; Q17-A19 VanDerWaalsContact C-N 3.29Å; Q17-A19 PolarHBondContact O-N 3.02Å; Q17-L20 WeakPolarHBondContact O-CB 3.48Å; Q17-L20 PolarHBondContact O-N 2.82Å; Q17-E21 PolarHBondContact O-N 2.9Å; Q17-E21 VanDerWaalsContact O-N 3.12Å; Q17-L47 VanDerWaalsContact OE1-CD1 3.25Å |
| 18 | K | 93.5 | Very high | 92 | Very high | 114 Ų | 114 | 64.1 Ų | 64.1 | 50% | 0.496 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.5 | -175.6 | -178.2 | 178.1 | -174.7 | 0 | 111.7 | D15 E21 A22 | D15-K18 HydrophobicContact CB-CB 3.95Å; D15-K18 VanDerWaalsContact CG-CB 3.42Å; D15-K18 PolarHBondContact O-N 2.92Å; D15-K18 WeakPolarHBondContact OD1-CB 3.34Å; D15-K18 PolarHBondContact OD1-N 3.42Å; K18-E21 PolarHBondContact O-N 3.45Å; K18-A22 PolarHBondContact O-N 2.9Å |
| 19 | A | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F11 I12 D15 Q17 A22 L23 | F11-A19 HydrophobicContact CD1-CB 3.85Å; F11-A19 HydrophobicContact CE1-CB 3.53Å; F11-A19 HydrophobicContact CZ-CB 4.28Å; I12-A19 HydrophobicContact CB-CB 4.25Å; I12-A19 HydrophobicContact CG1-CB 3.83Å; I12-A19 HydrophobicContact CG2-CB 4.45Å; D15-A19 WeakPolarHBondContact O-CB 3.28Å; D15-A19 PolarHBondContact O-N 3.15Å; Q17-A19 VanDerWaalsContact C-N 3.29Å; Q17-A19 PolarHBondContact O-N 3.02Å; A19-A22 PolarHBondContact O-N 3.06Å; A19-L23 WeakPolarHBondContact O-CB 3.27Å; A19-L23 WeakPolarHBondContact O-CD1 3.42Å; A19-L23 WeakPolarHBondContact O-CG 3.44Å; A19-L23 PolarHBondContact O-N 3.01Å |
| 20 | L | 94.5 | Very high | 91.4 | Very high | 18 Ų | 18 | 65.8 Ų | 65.8 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.8 | -171.3 | 158.1 | 0 | 0 | 0 | 111.9 | P16 Q17 L23 N24 A43 H44 L47 | P16-L20 VanDerWaalsContact O-CB 3.28Å; P16-L20 WeakPolarHBondContact O-CB 3.4Å; P16-L20 PolarHBondContact O-N 2.66Å; Q17-L20 WeakPolarHBondContact O-CB 3.48Å; Q17-L20 PolarHBondContact O-N 2.82Å; L20-L23 PolarHBondContact O-N 2.84Å; L20-N24 VanDerWaalsContact CD2-ND2 3.29Å; L20-N24 WeakPolarHBondContact CD2-ND2 3.34Å; L20-N24 WeakPolarHBondContact O-CB 3.21Å; L20-N24 PolarHBondContact O-N 2.72Å; L20-N24 PolarHBondContact O-ND2 3.03Å; L20-A43 HydrophobicContact CB-CB 4.23Å; L20-H44 VanDerWaalsContact CD1-CE1 3.47Å; L20-H44 WeakPolarHBondContact CD1-CE1 3.27Å; L20-L47 HydrophobicContact CD1-CD1 3.56Å |
| 21 | E | 93.9 | Very high | 91.1 | Very high | 129 Ų | 129 | 65.6 Ų | 65.6 | 60% | 0.603 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.4 | -46.2 | 175.1 | -69.2 | -173.4 | 125.8 | 0 | 0 | 111.9 | Q17 K18 L23 N24 E25 | Q17-E21 PolarHBondContact O-N 2.9Å; Q17-E21 VanDerWaalsContact O-N 3.12Å; K18-E21 PolarHBondContact O-N 3.45Å; E21-L23 PolarHBondContact O-N 3.12Å; E21-N24 WeakPolarHBondContact O-CB 3.35Å; E21-N24 PolarHBondContact O-N 3.04Å; E21-E25 PolarHBondContact O-N 3.07Å |
| 22 | A | 93.1 | Very high | 90.9 | Very high | 23 Ų | 23 | 67.3 Ų | 67.3 | 19% | 0.19 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66 | -37.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | F7 K18 A19 E25 A26 | F7-A22 HydrophobicContact CE1-CB 3.61Å; F7-A22 HydrophobicContact CZ-CB 4.09Å; K18-A22 PolarHBondContact O-N 2.9Å; A19-A22 PolarHBondContact O-N 3.06Å; A22-E25 PolarHBondContact O-N 3.11Å; A22-A26 WeakPolarHBondContact O-CB 2.78Å; A22-A26 PolarHBondContact O-N 3.42Å |
| 23 | L | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.8 | -36.4 | 174.2 | -79.1 | 159.2 | 0 | 0 | 0 | 111.9 | F7 A19 L20 E21 A26 L27 W36 Q39 R40 | F7-L23 HydrophobicContact CB-CD2 4.1Å; F7-L23 HydrophobicContact CD1-CD2 4.18Å; F7-L23 HydrophobicContact CD1-CG 4.02Å; F7-L23 HydrophobicContact CD2-CD2 3.3Å; F7-L23 HydrophobicContact CD2-CG 4.02Å; F7-L23 HydrophobicContact CE1-CD2 4.47Å; F7-L23 HydrophobicContact CE1-CG 4.17Å; F7-L23 HydrophobicContact CE2-CD2 3.65Å; F7-L23 HydrophobicContact CE2-CG 4.16Å; F7-L23 HydrophobicContact CG-CD2 3.59Å; F7-L23 HydrophobicContact CG-CG 3.93Å; F7-L23 HydrophobicContact CZ-CD2 4.22Å; F7-L23 HydrophobicContact CZ-CG 4.23Å; A19-L23 WeakPolarHBondContact O-CB 3.27Å; A19-L23 WeakPolarHBondContact O-CD1 3.42Å; A19-L23 WeakPolarHBondContact O-CG 3.44Å; A19-L23 PolarHBondContact O-N 3.01Å; L20-L23 PolarHBondContact O-N 2.84Å; E21-L23 PolarHBondContact O-N 3.12Å; L23-A26 PolarHBondContact O-N 2.92Å; L23-L27 WeakPolarHBondContact O-CB 3.24Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.33Å; L23-L27 PolarHBondContact O-N 3.23Å; L23-W36 HydrophobicContact CD2-CB 3.96Å; L23-W36 HydrophobicContact CD2-CG 4.25Å; L23-Q39 HydrophobicContact CD1-CB 4.13Å; L23-Q39 HydrophobicContact CD2-CB 4.06Å; L23-R40 HydrophobicContact CB-CB 4.19Å; L23-R40 HydrophobicContact CB-CG 4.21Å; L23-R40 HydrophobicContact CD1-CB 4.11Å |
| 24 | N | 93.6 | Very high | 90.9 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 173.1 | -80.3 | -21 | 0 | 0 | 0 | 112.2 | L20 E21 A26 Q28 R40 | L20-N24 VanDerWaalsContact CD2-ND2 3.29Å; L20-N24 WeakPolarHBondContact CD2-ND2 3.34Å; L20-N24 WeakPolarHBondContact O-CB 3.21Å; L20-N24 PolarHBondContact O-N 2.72Å; L20-N24 PolarHBondContact O-ND2 3.03Å; E21-N24 WeakPolarHBondContact O-CB 3.35Å; E21-N24 PolarHBondContact O-N 3.04Å; N24-A26 VanDerWaalsContact C-N 3.35Å; N24-Q28 WeakPolarHBondContact O-CG 3.21Å; N24-Q28 PolarHBondContact O-N 2.86Å; N24-R40 WeakPolarHBondContact OD1-CD 3.44Å; N24-R40 PolarHBondContact OD1-NH1 2.77Å |
| 25 | E | 92.4 | Very high | 90.8 | Very high | 110 Ų | 110 | 62.6 Ų | 62.6 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 174.6 | -172.6 | -165.5 | 131 | 0 | 0 | 110.9 | R5 E21 A22 L27 Q28 | R5-E25 IonicContact CZ-OE1 3.41Å; R5-E25 IonicContact NH1-OE1 3.63Å; R5-E25 PolarHBondContact NH1-OE1 3Å; R5-E25 IonicContact NH2-OE1 3.26Å; E21-E25 PolarHBondContact O-N 3.07Å; A22-E25 PolarHBondContact O-N 3.11Å; E25-L27 PolarHBondContact O-N 3.46Å; E25-Q28 WeakPolarHBondContact O-CB 3.13Å; E25-Q28 PolarHBondContact O-N 3.47Å |
| 26 | A | 90.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61 | -47 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F7 A22 L23 N24 Q28 G29 D30 W36 | F7-A26 HydrophobicContact CE2-CB 3.74Å; F7-A26 HydrophobicContact CZ-CB 3.94Å; A22-A26 WeakPolarHBondContact O-CB 2.78Å; A22-A26 PolarHBondContact O-N 3.42Å; L23-A26 PolarHBondContact O-N 2.92Å; N24-A26 VanDerWaalsContact C-N 3.35Å; A26-Q28 PolarHBondContact O-N 2.71Å; A26-G29 PolarHBondContact O-N 2.8Å; A26-D30 PolarHBondContact O-N 2.75Å; A26-D30 VanDerWaalsContact O-N 3.09Å; A26-W36 VanDerWaalsContact C-CZ3 3.46Å; A26-W36 HydrophobicContact CB-CD2 4.11Å; A26-W36 HydrophobicContact CB-CE3 3.61Å; A26-W36 HydrophobicContact CB-CH2 3.91Å; A26-W36 HydrophobicContact CB-CZ2 4.35Å; A26-W36 HydrophobicContact CB-CZ3 3.51Å; A26-W36 VanDerWaalsContact O-CZ3 3.25Å; A26-W36 WeakPolarHBondContact O-CZ3 3.38Å |
| 27 | L | 89.7 | Confident | 91 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.9 | -15.6 | 179 | -73.5 | 167.3 | 0 | 0 | 0 | 114.1 | L23 E25 G29 C31 W36 F37 R40 | L23-L27 WeakPolarHBondContact O-CB 3.24Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.33Å; L23-L27 PolarHBondContact O-N 3.23Å; E25-L27 PolarHBondContact O-N 3.46Å; L27-G29 VanDerWaalsContact C-N 3.34Å; L27-C31 WeakPolarHBondContact O-CA 3.21Å; L27-W36 HydrophobicContact CD2-CB 3.85Å; L27-W36 HydrophobicContact CD2-CE3 4.16Å; L27-W36 HydrophobicContact CG-CB 4.13Å; L27-W36 HydrophobicContact CG-CE3 4.34Å; L27-F37 HydrophobicContact CD1-CD1 4.05Å; L27-F37 HydrophobicContact CD1-CE1 4.04Å; L27-F37 HydrophobicContact CD1-CG 4.46Å; L27-F37 HydrophobicContact CD1-CZ 4.44Å; L27-F37 HydrophobicContact CD2-CD1 4.42Å; L27-F37 HydrophobicContact CD2-CD2 3.9Å; L27-F37 HydrophobicContact CD2-CE1 4.22Å; L27-F37 HydrophobicContact CD2-CE2 3.65Å; L27-F37 HydrophobicContact CD2-CG 4.26Å; L27-F37 HydrophobicContact CD2-CZ 3.82Å; L27-R40 VanDerWaalsContact CD1-CZ 3.41Å; L27-R40 VanDerWaalsContact CD1-NH1 3.34Å |
| 28 | Q | 88.8 | Confident | 91.1 | Very high | 168 Ų | 168 | 56.1 Ų | 56.1 | 79% | 0.785 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -71.9 | -29.9 | 168.4 | -73.7 | 178.3 | 0.5 | 0 | 0 | 112.3 | N24 E25 A26 | N24-Q28 WeakPolarHBondContact O-CG 3.21Å; N24-Q28 PolarHBondContact O-N 2.86Å; E25-Q28 WeakPolarHBondContact O-CB 3.13Å; E25-Q28 PolarHBondContact O-N 3.47Å; A26-Q28 PolarHBondContact O-N 2.71Å |
| 29 | G | 84.1 | Confident | 91.1 | Very high | 75 Ų | 75 | 52 Ų | 52 | 77% | 0.773 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -86 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A26 L27 | A26-G29 PolarHBondContact O-N 2.8Å; L27-G29 VanDerWaalsContact C-N 3.34Å |
| 30 | D | 81.4 | Confident | 91.3 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | trans | -128.3 | 95.9 | 176.2 | -179.3 | 7 | 0 | 0 | 0 | 109.4 | A26 D32 W36 | A26-D30 PolarHBondContact O-N 2.75Å; A26-D30 VanDerWaalsContact O-N 3.09Å; D30-D32 VanDerWaalsContact C-N 3.31Å; D30-D32 PolarHBondContact O-N 2.97Å; D30-W36 HydrophobicContact CB-CH2 4.33Å; D30-W36 HydrophobicContact CB-CZ3 3.76Å | ||
| 31 | C | 83.1 | Confident | 91.4 | Very high | 78 Ų | 78 | 53 Ų | 53 | 53% | 0.527 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.3 | -169.4 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | L27 F37 | L27-C31 WeakPolarHBondContact O-CA 3.21Å; C31-F37 VanDerWaalsContact O-CE2 3.23Å; C31-F37 WeakPolarHBondContact O-CE2 3.46Å; C31-F37 WeakPolarHBondContact O-CZ 3.36Å |
| 32 | D | 87.7 | Confident | 91.5 | Very high | 97 Ų | 97 | 48.4 Ų | 48.4 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 20.6 | -176.1 | -72.9 | -35.2 | 0 | 0 | 0 | 112.6 | D30 A34 L63 | D30-D32 VanDerWaalsContact C-N 3.31Å; D30-D32 PolarHBondContact O-N 2.97Å; D32-A34 PolarHBondContact O-N 3.43Å; D32-L63 HydrophobicContact CB-CD2 4.02Å; D32-L63 WeakPolarHBondContact O-CD1 3.13Å |
| 33 | N | 90.9 | Very high | 91.6 | Very high | 36 Ų | 36 | 47.3 Ų | 47.3 | 19% | 0.193 | 26% | 0.257 | C | S | . | . | trans | -82 | 100.7 | 178.2 | -165.9 | -45.1 | 0 | 0 | 0 | 112.4 | E35 W36 F37 | N33-E35 VanDerWaalsContact C-N 3.29Å; N33-E35 PolarHBondContact O-N 2.79Å; N33-E35 PolarHBondContact OD1-N 2.85Å; N33-E35 VanDerWaalsContact OD1-N 3.13Å; N33-W36 HydrophobicContact CB-CB 4.15Å; N33-W36 HydrophobicContact CB-CD2 3.89Å; N33-W36 HydrophobicContact CB-CE3 3.78Å; N33-W36 HydrophobicContact CB-CG 4.07Å; N33-W36 HydrophobicContact CB-CZ3 4.46Å; N33-W36 PolarHBondContact O-N 3.3Å; N33-W36 PolarHBondContact OD1-N 3.1Å; N33-F37 WeakPolarHBondContact O-CD2 3.25Å; N33-F37 PolarHBondContact O-N 2.95Å | ||
| 34 | A | 92.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.8 | -36.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D32 F37 C38 A60 L63 K64 | D32-A34 PolarHBondContact O-N 3.43Å; A34-F37 PolarHBondContact O-N 2.83Å; A34-C38 WeakPolarHBondContact O-CB 3.36Å; A34-C38 PolarHBondContact O-N 2.83Å; A34-A60 VanDerWaalsContact O-CB 3.3Å; A34-A60 WeakPolarHBondContact O-CB 3.33Å; A34-L63 HydrophobicContact CB-CB 3.71Å; A34-L63 HydrophobicContact CB-CD1 4.4Å; A34-K64 HydrophobicContact CB-CB 3.67Å |
| 35 | E | 92.1 | Very high | 91.9 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.9 | -38.8 | -178 | -70.8 | 175.5 | -169.3 | 0 | 0 | 110.8 | N33 C38 Q39 K64 | N33-E35 VanDerWaalsContact C-N 3.29Å; N33-E35 PolarHBondContact O-N 2.79Å; N33-E35 PolarHBondContact OD1-N 2.85Å; N33-E35 VanDerWaalsContact OD1-N 3.13Å; E35-C38 WeakPolarHBondContact O-CB 3.14Å; E35-C38 PolarHBondContact O-N 3.03Å; E35-Q39 WeakPolarHBondContact O-CG 3.5Å; E35-Q39 PolarHBondContact O-N 3.21Å; E35-K64 IonicContact OE1-NZ 2.73Å; E35-K64 PolarHBondContact OE1-NZ 3.21Å; E35-K64 VanDerWaalsContact OE1-NZ 3.13Å |
| 36 | W | 93.8 | Very high | 92 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 175 | -66.5 | -6.2 | 0 | 0 | 0 | 112.8 | R5 F7 L23 A26 L27 D30 N33 C38 Q39 R40 | R5-W36 HydrophobicContact CB-CZ2 4.3Å; R5-W36 WeakPolarHBondContact O-CZ2 3.37Å; R5-W36 PolarHBondContact O-NE1 2.89Å; F7-W36 AromaticContact CD2-CD1 3.76Å; F7-W36 HydrophobicContact CD2-CG 4.31Å; F7-W36 AromaticContact CD2-NE1 3.72Å; F7-W36 HydrophobicContact CE2-CD2 4.39Å; F7-W36 HydrophobicContact CE2-CG 4.47Å; F7-W36 AromaticContact CE2-NE1 3.99Å; L23-W36 HydrophobicContact CD2-CB 3.96Å; L23-W36 HydrophobicContact CD2-CG 4.25Å; A26-W36 VanDerWaalsContact C-CZ3 3.46Å; A26-W36 HydrophobicContact CB-CD2 4.11Å; A26-W36 HydrophobicContact CB-CE3 3.61Å; A26-W36 HydrophobicContact CB-CH2 3.91Å; A26-W36 HydrophobicContact CB-CZ2 4.35Å; A26-W36 HydrophobicContact CB-CZ3 3.51Å; A26-W36 VanDerWaalsContact O-CZ3 3.25Å; A26-W36 WeakPolarHBondContact O-CZ3 3.38Å; L27-W36 HydrophobicContact CD2-CB 3.85Å; L27-W36 HydrophobicContact CD2-CE3 4.16Å; L27-W36 HydrophobicContact CG-CB 4.13Å; L27-W36 HydrophobicContact CG-CE3 4.34Å; D30-W36 HydrophobicContact CB-CH2 4.33Å; D30-W36 HydrophobicContact CB-CZ3 3.76Å; N33-W36 HydrophobicContact CB-CB 4.15Å; N33-W36 HydrophobicContact CB-CD2 3.89Å; N33-W36 HydrophobicContact CB-CE3 3.78Å; N33-W36 HydrophobicContact CB-CG 4.07Å; N33-W36 HydrophobicContact CB-CZ3 4.46Å; N33-W36 PolarHBondContact O-N 3.3Å; N33-W36 PolarHBondContact OD1-N 3.1Å; W36-C38 VanDerWaalsContact C-N 3.31Å; W36-C38 PolarHBondContact O-N 3.24Å; W36-Q39 PolarHBondContact O-N 2.91Å; W36-R40 WeakPolarHBondContact O-CB 3.45Å; W36-R40 PolarHBondContact O-N 2.92Å |
| 37 | F | 95.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 170.3 | -77.5 | -71.2 | 0 | 0 | 0 | 111.6 | L27 C31 N33 A34 Q39 R40 A41 K59 A60 L63 | L27-F37 HydrophobicContact CD1-CD1 4.05Å; L27-F37 HydrophobicContact CD1-CE1 4.04Å; L27-F37 HydrophobicContact CD1-CG 4.46Å; L27-F37 HydrophobicContact CD1-CZ 4.44Å; L27-F37 HydrophobicContact CD2-CD1 4.42Å; L27-F37 HydrophobicContact CD2-CD2 3.9Å; L27-F37 HydrophobicContact CD2-CE1 4.22Å; L27-F37 HydrophobicContact CD2-CE2 3.65Å; L27-F37 HydrophobicContact CD2-CG 4.26Å; L27-F37 HydrophobicContact CD2-CZ 3.82Å; C31-F37 VanDerWaalsContact O-CE2 3.23Å; C31-F37 WeakPolarHBondContact O-CE2 3.46Å; C31-F37 WeakPolarHBondContact O-CZ 3.36Å; N33-F37 WeakPolarHBondContact O-CD2 3.25Å; N33-F37 PolarHBondContact O-N 2.95Å; A34-F37 PolarHBondContact O-N 2.83Å; F37-Q39 PolarHBondContact O-N 3.43Å; F37-R40 PolarHBondContact O-N 3.24Å; F37-A41 WeakPolarHBondContact O-CB 3.31Å; F37-A41 PolarHBondContact O-N 3.4Å; F37-K59 HydrophobicContact CD1-CB 4.29Å; F37-K59 HydrophobicContact CD1-CG 4.06Å; F37-K59 HydrophobicContact CD2-CG 4.08Å; F37-K59 HydrophobicContact CE1-CG 3.93Å; F37-K59 HydrophobicContact CE2-CG 3.97Å; F37-K59 HydrophobicContact CG-CB 4.43Å; F37-K59 HydrophobicContact CG-CG 4.14Å; F37-K59 HydrophobicContact CZ-CG 3.91Å; F37-A60 HydrophobicContact CB-CB 3.88Å; F37-L63 HydrophobicContact CD2-CD1 3.61Å; F37-L63 HydrophobicContact CE2-CD1 3.72Å |
| 38 | C | 94.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.034 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -40 | 177 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | A34 E35 W36 A41 Y42 A60 L67 | A34-C38 WeakPolarHBondContact O-CB 3.36Å; A34-C38 PolarHBondContact O-N 2.83Å; E35-C38 WeakPolarHBondContact O-CB 3.14Å; E35-C38 PolarHBondContact O-N 3.03Å; W36-C38 VanDerWaalsContact C-N 3.31Å; W36-C38 PolarHBondContact O-N 3.24Å; C38-A41 WeakPolarHBondContact O-CB 3.34Å; C38-A41 PolarHBondContact O-N 3.06Å; C38-Y42 PolarHBondContact O-N 3.15Å; C38-Y42 VanDerWaalsContact O-N 3.1Å; C38-A60 HydrophobicContact CB-CB 4.2Å; C38-L67 HydrophobicContact CB-CD2 3.98Å |
| 39 | Q | 94.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 13% | 0.131 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.2 | -35 | 176.4 | -69.3 | -59.2 | -4.3 | 0 | 0 | 112.4 | F7 D9 I12 L23 E35 W36 F37 Y42 A43 | F7-Q39 HydrophobicContact CB-CB 4.4Å; F7-Q39 HydrophobicContact CB-CG 4.4Å; D9-Q39 PolarHBondContact OD1-NE2 3.48Å; D9-Q39 PolarHBondContact OD1-OE1 2.83Å; I12-Q39 HydrophobicContact CD1-CB 3.8Å; I12-Q39 HydrophobicContact CD1-CG 4.19Å; L23-Q39 HydrophobicContact CD1-CB 4.13Å; L23-Q39 HydrophobicContact CD2-CB 4.06Å; E35-Q39 WeakPolarHBondContact O-CG 3.5Å; E35-Q39 PolarHBondContact O-N 3.21Å; W36-Q39 PolarHBondContact O-N 2.91Å; F37-Q39 PolarHBondContact O-N 3.43Å; Q39-Y42 WeakPolarHBondContact O-CB 3.26Å; Q39-Y42 PolarHBondContact O-N 3.12Å; Q39-A43 PolarHBondContact O-N 3.33Å |
| 40 | R | 95.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68 | -38.6 | 173.8 | -163.9 | 172.8 | 67.9 | -178.2 | -1.9 | 111.6 | L23 N24 L27 W36 F37 Y42 A43 H44 D56 | L23-R40 HydrophobicContact CB-CB 4.19Å; L23-R40 HydrophobicContact CB-CG 4.21Å; L23-R40 HydrophobicContact CD1-CB 4.11Å; N24-R40 WeakPolarHBondContact OD1-CD 3.44Å; N24-R40 PolarHBondContact OD1-NH1 2.77Å; L27-R40 VanDerWaalsContact CD1-CZ 3.41Å; L27-R40 VanDerWaalsContact CD1-NH1 3.34Å; W36-R40 WeakPolarHBondContact O-CB 3.45Å; W36-R40 PolarHBondContact O-N 2.92Å; F37-R40 PolarHBondContact O-N 3.24Å; R40-Y42 VanDerWaalsContact C-N 3.27Å; R40-Y42 PolarHBondContact O-N 2.81Å; R40-A43 PolarHBondContact O-N 2.73Å; R40-H44 PolarHBondContact O-CD2 3.39Å; R40-H44 VanDerWaalsContact O-CD2 3.23Å; R40-H44 PolarHBondContact O-N 2.94Å; R40-D56 WeakPolarHBondContact CG-OD2 3.43Å; R40-D56 IonicContact CZ-OD1 3.96Å; R40-D56 IonicContact CZ-OD2 3.46Å; R40-D56 IonicContact NE-OD1 3Å; R40-D56 PolarHBondContact NE-OD1 2.76Å; R40-D56 IonicContact NE-OD2 3.45Å; R40-D56 PolarHBondContact NE-OD2 2.85Å; R40-D56 IonicContact NH2-OD1 3.95Å; R40-D56 PolarHBondContact NH2-OD1 2.84Å; R40-D56 IonicContact NH2-OD2 2.67Å |
| 41 | A | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F37 C38 H44 I45 A53 D56 A57 R73 | F37-A41 WeakPolarHBondContact O-CB 3.31Å; F37-A41 PolarHBondContact O-N 3.4Å; C38-A41 WeakPolarHBondContact O-CB 3.34Å; C38-A41 PolarHBondContact O-N 3.06Å; A41-H44 PolarHBondContact O-N 3.49Å; A41-I45 WeakPolarHBondContact O-CG1 3.38Å; A41-I45 PolarHBondContact O-N 3.45Å; A41-A53 HydrophobicContact CB-CB 4.46Å; A41-A53 VanDerWaalsContact CB-O 3.3Å; A41-A53 WeakPolarHBondContact CB-O 3.43Å; A41-A53 WeakPolarHBondContact O-CB 3.45Å; A41-D56 HydrophobicContact CB-CB 3.85Å; A41-A57 HydrophobicContact CB-CB 3.99Å; A41-R73 HydrophobicContact CB-CB 4.16Å; A41-R73 HydrophobicContact CB-CG 4.47Å |
| 42 | Y | 95.9 | Very high | 94.3 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 13% | 0.129 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 175.8 | -176.5 | -132.9 | 0 | 0 | 0 | 112.6 | D9 I12 D13 C38 Q39 R40 H44 I45 L46 R73 | D9-Y42 HydrophobicContact CB-CE1 4.36Å; I12-Y42 HydrophobicContact CB-CD1 3.98Å; I12-Y42 HydrophobicContact CB-CE1 4.16Å; I12-Y42 HydrophobicContact CD1-CD1 3.97Å; I12-Y42 HydrophobicContact CG2-CD1 3.55Å; I12-Y42 HydrophobicContact CG2-CE1 3.9Å; I12-Y42 HydrophobicContact CG2-CG 4.36Å; D13-Y42 VanDerWaalsContact OD1-CE1 3.28Å; D13-Y42 WeakPolarHBondContact OD1-CE1 3.46Å; D13-Y42 VanDerWaalsContact OD1-CZ 3.27Å; D13-Y42 PolarHBondContact OD1-OH 2.91Å; C38-Y42 PolarHBondContact O-N 3.15Å; C38-Y42 VanDerWaalsContact O-N 3.1Å; Q39-Y42 WeakPolarHBondContact O-CB 3.26Å; Q39-Y42 PolarHBondContact O-N 3.12Å; R40-Y42 VanDerWaalsContact C-N 3.27Å; R40-Y42 PolarHBondContact O-N 2.81Å; Y42-H44 VanDerWaalsContact C-N 3.3Å; Y42-H44 PolarHBondContact O-N 3.46Å; Y42-I45 WeakPolarHBondContact O-CB 3.47Å; Y42-I45 PolarHBondContact O-N 3.49Å; Y42-I45 VanDerWaalsContact O-N 3.08Å; Y42-L46 HydrophobicContact CD2-CG 4.46Å; Y42-L46 HydrophobicContact CE1-CD1 4.03Å; Y42-L46 HydrophobicContact CE2-CD1 4.34Å; Y42-L46 HydrophobicContact CE2-CD2 4.04Å; Y42-L46 HydrophobicContact CE2-CG 4.07Å; Y42-L46 PolarHBondContact O-N 3.23Å; Y42-R73 VanDerWaalsContact CE2-NH1 3.34Å; Y42-R73 VanDerWaalsContact CG-CZ 3.45Å |
| 43 | A | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | I12 L20 Q39 R40 I45 L46 L47 | I12-A43 HydrophobicContact CG2-CB 3.8Å; L20-A43 HydrophobicContact CB-CB 4.23Å; Q39-A43 PolarHBondContact O-N 3.33Å; R40-A43 PolarHBondContact O-N 2.73Å; A43-I45 VanDerWaalsContact C-N 3.33Å; A43-I45 PolarHBondContact O-N 2.99Å; A43-L46 PolarHBondContact O-N 3.42Å; A43-L47 VanDerWaalsContact O-CG 3.32Å; A43-L47 WeakPolarHBondContact O-CG 3.24Å; A43-L47 PolarHBondContact O-N 3.48Å |
| 44 | H | 96.9 | Very high | 95 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 10% | 0.102 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 174.7 | -83.2 | -65.8 | 0 | 0 | 0 | 113 | L20 R40 A41 Y42 L47 K48 N49 A53 D56 | L20-H44 VanDerWaalsContact CD1-CE1 3.47Å; L20-H44 WeakPolarHBondContact CD1-CE1 3.27Å; R40-H44 PolarHBondContact O-CD2 3.39Å; R40-H44 VanDerWaalsContact O-CD2 3.23Å; R40-H44 PolarHBondContact O-N 2.94Å; A41-H44 PolarHBondContact O-N 3.49Å; Y42-H44 VanDerWaalsContact C-N 3.3Å; Y42-H44 PolarHBondContact O-N 3.46Å; H44-L47 CarbonylContact O-C 3.47Å; H44-L47 PolarHBondContact O-N 2.91Å; H44-K48 PolarHBondContact O-N 2.83Å; H44-K48 VanDerWaalsContact O-N 3.1Å; H44-N49 HydrophobicContact CB-CB 4.24Å; H44-N49 PolarHBondContact O-N 2.93Å; H44-A53 HydrophobicContact CB-CB 3.71Å; H44-D56 IonicContact CD2-OD2 3.26Å; H44-D56 PolarHBondContact CD2-OD2 2.95Å; H44-D56 IonicContact NE2-OD2 2.71Å |
| 45 | I | 95.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 9% | 0.087 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.3 | -73.2 | 161.5 | 0 | 0 | 0 | 111.1 | A41 Y42 A43 L47 K48 A53 R73 I76 | A41-I45 WeakPolarHBondContact O-CG1 3.38Å; A41-I45 PolarHBondContact O-N 3.45Å; Y42-I45 WeakPolarHBondContact O-CB 3.47Å; Y42-I45 PolarHBondContact O-N 3.49Å; Y42-I45 VanDerWaalsContact O-N 3.08Å; A43-I45 VanDerWaalsContact C-N 3.33Å; A43-I45 PolarHBondContact O-N 2.99Å; I45-L47 PolarHBondContact O-N 3Å; I45-K48 WeakPolarHBondContact O-CA 3.34Å; I45-K48 PolarHBondContact O-N 2.73Å; I45-A53 HydrophobicContact CD1-CB 4.29Å; I45-A53 HydrophobicContact CG1-CB 3.64Å; I45-R73 HydrophobicContact CD1-CB 3.92Å; I45-R73 HydrophobicContact CD1-CG 4.35Å; I45-I76 HydrophobicContact CD1-CB 4.17Å; I45-I76 HydrophobicContact CD1-CG2 4.08Å; I45-I76 HydrophobicContact CG1-CG2 4.36Å; I45-I76 HydrophobicContact CG2-CG2 3.75Å |
| 46 | L | 94.3 | Very high | 95.3 | Very high | 69 Ų | 69 | 39.5 Ų | 39.5 | 36% | 0.361 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.7 | -34.1 | 178 | -65.9 | -176.7 | 0 | 0 | 0 | 111.9 | I12 P16 Y42 A43 K48 | I12-L46 HydrophobicContact CG2-CD1 3.92Å; P16-L46 HydrophobicContact CB-CB 3.96Å; P16-L46 HydrophobicContact CB-CD1 4.15Å; P16-L46 HydrophobicContact CG-CB 4.27Å; Y42-L46 HydrophobicContact CD2-CG 4.46Å; Y42-L46 HydrophobicContact CE1-CD1 4.03Å; Y42-L46 HydrophobicContact CE2-CD1 4.34Å; Y42-L46 HydrophobicContact CE2-CD2 4.04Å; Y42-L46 HydrophobicContact CE2-CG 4.07Å; Y42-L46 PolarHBondContact O-N 3.23Å; A43-L46 PolarHBondContact O-N 3.42Å; L46-K48 PolarHBondContact O-N 3.36Å |
| 47 | L | 94.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.3 | 174.3 | -63.8 | 170.1 | 0 | 0 | 0 | 113.9 | P16 Q17 L20 A43 H44 I45 N49 | P16-L47 HydrophobicContact CB-CD2 4.19Å; P16-L47 HydrophobicContact CB-CG 4.05Å; P16-L47 HydrophobicContact CG-CD2 3.9Å; P16-L47 HydrophobicContact CG-CG 4.28Å; Q17-L47 VanDerWaalsContact OE1-CD1 3.25Å; L20-L47 HydrophobicContact CD1-CD1 3.56Å; A43-L47 VanDerWaalsContact O-CG 3.32Å; A43-L47 WeakPolarHBondContact O-CG 3.24Å; A43-L47 PolarHBondContact O-N 3.48Å; H44-L47 CarbonylContact O-C 3.47Å; H44-L47 PolarHBondContact O-N 2.91Å; I45-L47 PolarHBondContact O-N 3Å; L47-N49 PolarHBondContact O-N 3.25Å |
| 48 | K | 94.1 | Very high | 95.4 | Very high | 151 Ų | 151 | 40.7 Ų | 40.7 | 66% | 0.657 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 21.1 | -178.3 | -50.6 | -179.1 | -179.6 | 177.7 | 0 | 114.7 | H44 I45 L46 Y50 | H44-K48 PolarHBondContact O-N 2.83Å; H44-K48 VanDerWaalsContact O-N 3.1Å; I45-K48 WeakPolarHBondContact O-CA 3.34Å; I45-K48 PolarHBondContact O-N 2.73Å; L46-K48 PolarHBondContact O-N 3.36Å; K48-Y50 VanDerWaalsContact C-N 3.32Å; K48-Y50 HydrophobicContact CB-CE1 4.49Å; K48-Y50 HydrophobicContact CB-CE2 3.96Å; K48-Y50 WeakPolarHBondContact O-CD2 3.27Å; K48-Y50 WeakPolarHBondContact O-CE2 3.37Å; K48-Y50 PolarHBondContact O-N 3.48Å |
| 49 | N | 94.3 | Very high | 95.4 | Very high | 75 Ų | 75 | 43.9 Ų | 43.9 | 40% | 0.401 | 22% | 0.219 | S | C | . | . | trans | -89.4 | 65.8 | 175.7 | -68.3 | -30.9 | 0 | 0 | 0 | 110.2 | H44 L47 S51 S52 A53 | H44-N49 HydrophobicContact CB-CB 4.24Å; H44-N49 PolarHBondContact O-N 2.93Å; L47-N49 PolarHBondContact O-N 3.25Å; N49-S51 PolarHBondContact O-N 2.93Å; N49-S52 PolarHBondContact O-N 2.83Å; N49-A53 PolarHBondContact O-N 2.83Å; N49-A53 VanDerWaalsContact O-N 3.09Å | ||
| 50 | Y | 94.9 | Very high | 95.5 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 17% | 0.173 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.4 | -33.8 | -167.2 | -52.6 | -64.5 | 0 | 0 | 0 | 114.6 | K48 A53 I54 H80 | K48-Y50 VanDerWaalsContact C-N 3.32Å; K48-Y50 HydrophobicContact CB-CE1 4.49Å; K48-Y50 HydrophobicContact CB-CE2 3.96Å; K48-Y50 WeakPolarHBondContact O-CD2 3.27Å; K48-Y50 WeakPolarHBondContact O-CE2 3.37Å; K48-Y50 PolarHBondContact O-N 3.48Å; Y50-A53 PolarHBondContact O-N 3.04Å; Y50-I54 WeakPolarHBondContact O-CD1 3.36Å; Y50-I54 VanDerWaalsContact O-CG1 3.24Å; Y50-I54 WeakPolarHBondContact O-CG1 3.4Å; Y50-I54 PolarHBondContact O-N 3.09Å; Y50-H80 HydrophobicContact CD1-CB 3.6Å; Y50-H80 AromaticContact CD1-CG 3.99Å; Y50-H80 HydrophobicContact CD2-CB 3.69Å; Y50-H80 HydrophobicContact CE1-CB 3.53Å; Y50-H80 AromaticContact CE1-CD2 3.47Å; Y50-H80 VanDerWaalsContact CE1-CD2 3.47Å; Y50-H80 WeakPolarHBondContact CE1-CD2 3.4Å; Y50-H80 AromaticContact CE1-CG 3.45Å; Y50-H80 VanDerWaalsContact CE1-CG 3.45Å; Y50-H80 HydrophobicContact CE2-CB 3.63Å; Y50-H80 HydrophobicContact CG-CB 3.67Å; Y50-H80 AromaticContact CZ-CD2 3.94Å; Y50-H80 AromaticContact CZ-CG 3.5Å; Y50-H80 VanDerWaalsContact CZ-CG 3.5Å; Y50-H80 AromaticContact CZ-ND1 3.83Å |
| 51 | S | 94.8 | Very high | 95.4 | Very high | 70 Ų | 70 | 42.3 Ų | 42.3 | 49% | 0.49 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -51.5 | 176.8 | 49 | 0 | 0 | 0 | 0 | 111.6 | N49 A53 I54 D55 | N49-S51 PolarHBondContact O-N 2.93Å; S51-A53 VanDerWaalsContact C-N 3.29Å; S51-A53 PolarHBondContact O-N 2.8Å; S51-I54 PolarHBondContact O-N 2.84Å; S51-I54 VanDerWaalsContact O-N 3.15Å; S51-D55 PolarHBondContact O-N 2.86Å; S51-D55 VanDerWaalsContact O-N 3.13Å |
| 52 | S | 94.5 | Very high | 95.3 | Very high | 47 Ų | 47 | 49.1 Ų | 49.1 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.3 | -36.8 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | N49 I54 D55 D56 | N49-S52 PolarHBondContact O-N 2.83Å; S52-I54 VanDerWaalsContact C-N 3.33Å; S52-I54 PolarHBondContact O-N 2.79Å; S52-D55 PolarHBondContact O-N 3.11Å; S52-D56 PolarHBondContact O-N 3.28Å; S52-D56 VanDerWaalsContact O-N 3.08Å |
| 53 | A | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A41 H44 I45 N49 Y50 S51 A57 | A41-A53 HydrophobicContact CB-CB 4.46Å; A41-A53 VanDerWaalsContact CB-O 3.3Å; A41-A53 WeakPolarHBondContact CB-O 3.43Å; A41-A53 WeakPolarHBondContact O-CB 3.45Å; H44-A53 HydrophobicContact CB-CB 3.71Å; I45-A53 HydrophobicContact CD1-CB 4.29Å; I45-A53 HydrophobicContact CG1-CB 3.64Å; N49-A53 PolarHBondContact O-N 2.83Å; N49-A53 VanDerWaalsContact O-N 3.09Å; Y50-A53 PolarHBondContact O-N 3.04Å; S51-A53 VanDerWaalsContact C-N 3.29Å; S51-A53 PolarHBondContact O-N 2.8Å; A53-A57 WeakPolarHBondContact O-CB 3.43Å; A53-A57 PolarHBondContact O-N 3.26Å |
| 54 | I | 96.4 | Very high | 95.1 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 178.3 | -68.4 | 160.5 | 0 | 0 | 0 | 110.7 | Y50 S51 S52 A57 K58 T74 E78 L81 | Y50-I54 WeakPolarHBondContact O-CD1 3.36Å; Y50-I54 VanDerWaalsContact O-CG1 3.24Å; Y50-I54 WeakPolarHBondContact O-CG1 3.4Å; Y50-I54 PolarHBondContact O-N 3.09Å; S51-I54 PolarHBondContact O-N 2.84Å; S51-I54 VanDerWaalsContact O-N 3.15Å; S52-I54 VanDerWaalsContact C-N 3.33Å; S52-I54 PolarHBondContact O-N 2.79Å; I54-A57 PolarHBondContact O-N 2.82Å; I54-K58 HydrophobicContact CG2-CD 3.77Å; I54-K58 VanDerWaalsContact CG2-CE 3.46Å; I54-K58 HydrophobicContact CG2-CG 4.3Å; I54-K58 VanDerWaalsContact CG2-NZ 3.31Å; I54-K58 WeakPolarHBondContact O-CB 2.92Å; I54-K58 WeakPolarHBondContact O-CG 3.42Å; I54-K58 PolarHBondContact O-N 2.8Å; I54-T74 HydrophobicContact CG2-CG2 4.49Å; I54-E78 HydrophobicContact CD1-CG 3.9Å; I54-E78 HydrophobicContact CG1-CG 4.19Å; I54-L81 HydrophobicContact CD1-CD1 3.41Å; I54-L81 VanDerWaalsContact CD1-CD1 3.41Å; I54-L81 HydrophobicContact CD1-CG 4.28Å |
| 55 | D | 95.9 | Very high | 94.9 | Very high | 105 Ų | 105 | 57.1 Ų | 57.1 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 179 | -68.4 | -29.1 | 0 | 0 | 0 | 111.3 | S51 S52 K58 K59 | S51-D55 PolarHBondContact O-N 2.86Å; S51-D55 VanDerWaalsContact O-N 3.13Å; S52-D55 PolarHBondContact O-N 3.11Å; D55-K58 PolarHBondContact O-N 2.79Å; D55-K59 WeakPolarHBondContact O-CB 3.43Å; D55-K59 PolarHBondContact O-N 2.76Å |
| 56 | D | 96 | Very high | 94.8 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.7 | -82.1 | -14.2 | 0 | 0 | 0 | 112.5 | R40 A41 H44 S52 K58 K59 A60 | R40-D56 WeakPolarHBondContact CG-OD2 3.43Å; R40-D56 IonicContact CZ-OD1 3.96Å; R40-D56 IonicContact CZ-OD2 3.46Å; R40-D56 IonicContact NE-OD1 3Å; R40-D56 PolarHBondContact NE-OD1 2.76Å; R40-D56 IonicContact NE-OD2 3.45Å; R40-D56 PolarHBondContact NE-OD2 2.85Å; R40-D56 IonicContact NH2-OD1 3.95Å; R40-D56 PolarHBondContact NH2-OD1 2.84Å; R40-D56 IonicContact NH2-OD2 2.67Å; A41-D56 HydrophobicContact CB-CB 3.85Å; H44-D56 IonicContact CD2-OD2 3.26Å; H44-D56 PolarHBondContact CD2-OD2 2.95Å; H44-D56 IonicContact NE2-OD2 2.71Å; S52-D56 PolarHBondContact O-N 3.28Å; S52-D56 VanDerWaalsContact O-N 3.08Å; D56-K58 VanDerWaalsContact C-N 3.35Å; D56-K58 PolarHBondContact O-N 2.89Å; D56-K59 WeakPolarHBondContact O-CB 3.44Å; D56-K59 PolarHBondContact O-N 2.71Å; D56-A60 PolarHBondContact O-N 2.93Å |
| 57 | A | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A41 A53 I54 A60 Q61 R73 T74 | A41-A57 HydrophobicContact CB-CB 3.99Å; A53-A57 WeakPolarHBondContact O-CB 3.43Å; A53-A57 PolarHBondContact O-N 3.26Å; I54-A57 PolarHBondContact O-N 2.82Å; A57-A60 WeakPolarHBondContact O-CB 3.29Å; A57-A60 PolarHBondContact O-N 3.47Å; A57-Q61 WeakPolarHBondContact O-CG 3.31Å; A57-Q61 PolarHBondContact O-N 3.38Å; A57-R73 HydrophobicContact CB-CB 4.01Å; A57-T74 WeakPolarHBondContact CB-OG1 3.41Å |
| 58 | K | 95.2 | Very high | 94.6 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 35% | 0.352 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.5 | -37.5 | 173.6 | -76.3 | 175.9 | -179.4 | 162.5 | 0 | 111.6 | I54 D55 D56 Q61 Q62 E78 | I54-K58 HydrophobicContact CG2-CD 3.77Å; I54-K58 VanDerWaalsContact CG2-CE 3.46Å; I54-K58 HydrophobicContact CG2-CG 4.3Å; I54-K58 VanDerWaalsContact CG2-NZ 3.31Å; I54-K58 WeakPolarHBondContact O-CB 2.92Å; I54-K58 WeakPolarHBondContact O-CG 3.42Å; I54-K58 PolarHBondContact O-N 2.8Å; D55-K58 PolarHBondContact O-N 2.79Å; D56-K58 VanDerWaalsContact C-N 3.35Å; D56-K58 PolarHBondContact O-N 2.89Å; K58-Q61 PolarHBondContact O-N 3.24Å; K58-Q62 WeakPolarHBondContact O-CG 2.75Å; K58-Q62 PolarHBondContact O-N 3.47Å; K58-E78 IonicContact NZ-OE1 3.54Å; K58-E78 PolarHBondContact NZ-OE1 3.4Å; K58-E78 VanDerWaalsContact NZ-OE1 3.12Å |
| 59 | K | 95.4 | Very high | 94.5 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 172.9 | -174.5 | 64.7 | -178.5 | 178.8 | 0 | 111.5 | F37 D55 D56 Q61 Q62 L63 | F37-K59 HydrophobicContact CD1-CB 4.29Å; F37-K59 HydrophobicContact CD1-CG 4.06Å; F37-K59 HydrophobicContact CD2-CG 4.08Å; F37-K59 HydrophobicContact CE1-CG 3.93Å; F37-K59 HydrophobicContact CE2-CG 3.97Å; F37-K59 HydrophobicContact CG-CB 4.43Å; F37-K59 HydrophobicContact CG-CG 4.14Å; F37-K59 HydrophobicContact CZ-CG 3.91Å; D55-K59 WeakPolarHBondContact O-CB 3.43Å; D55-K59 PolarHBondContact O-N 2.76Å; D56-K59 WeakPolarHBondContact O-CB 3.44Å; D56-K59 PolarHBondContact O-N 2.71Å; K59-Q61 VanDerWaalsContact C-N 3.34Å; K59-Q61 PolarHBondContact O-N 3.01Å; K59-Q62 WeakPolarHBondContact O-CB 3.47Å; K59-Q62 PolarHBondContact O-N 3.26Å; K59-L63 HydrophobicContact CG-CD1 4.26Å; K59-L63 WeakPolarHBondContact O-CG 3.42Å; K59-L63 PolarHBondContact O-N 2.77Å; K59-L63 VanDerWaalsContact O-N 3.12Å |
| 60 | A | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | A34 F37 C38 D56 A57 Q62 L63 K64 A70 | A34-A60 VanDerWaalsContact O-CB 3.3Å; A34-A60 WeakPolarHBondContact O-CB 3.33Å; F37-A60 HydrophobicContact CB-CB 3.88Å; C38-A60 HydrophobicContact CB-CB 4.2Å; D56-A60 PolarHBondContact O-N 2.93Å; A57-A60 WeakPolarHBondContact O-CB 3.29Å; A57-A60 PolarHBondContact O-N 3.47Å; A60-Q62 PolarHBondContact O-N 3.15Å; A60-L63 PolarHBondContact O-N 2.88Å; A60-K64 PolarHBondContact O-N 3.49Å; A60-A70 HydrophobicContact CB-CB 3.94Å |
| 61 | Q | 95.1 | Very high | 94.7 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 174.8 | -70.8 | 164.3 | 14.5 | 0 | 0 | 112.5 | A57 K58 K59 L63 K64 P65 A70 F71 T74 | A57-Q61 WeakPolarHBondContact O-CG 3.31Å; A57-Q61 PolarHBondContact O-N 3.38Å; K58-Q61 PolarHBondContact O-N 3.24Å; K59-Q61 VanDerWaalsContact C-N 3.34Å; K59-Q61 PolarHBondContact O-N 3.01Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.97Å; Q61-K64 CarbonylContact O-C 3.32Å; Q61-P65 VanDerWaalsContact O-CA 3.32Å; Q61-P65 WeakPolarHBondContact O-CA 3.37Å; Q61-P65 WeakPolarHBondContact O-CD 3.26Å; Q61-P65 WeakPolarHBondContact O-CG 3.12Å; Q61-P65 VanDerWaalsContact O-N 3.11Å; Q61-A70 HydrophobicContact CG-CB 3.73Å; Q61-A70 PolarHBondContact NE2-O 3.09Å; Q61-A70 VanDerWaalsContact NE2-O 3.13Å; Q61-F71 HydrophobicContact CG-CD1 4.48Å; Q61-F71 HydrophobicContact CG-CD2 4.33Å; Q61-F71 HydrophobicContact CG-CE1 4.24Å; Q61-F71 HydrophobicContact CG-CE2 4.08Å; Q61-F71 HydrophobicContact CG-CZ 4.05Å; Q61-T74 PolarHBondContact NE2-OG1 3.47Å |
| 62 | Q | 94.8 | Very high | 94.7 | Very high | 143 Ų | 143 | 45.4 Ų | 45.4 | 67% | 0.668 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.4 | -38.6 | 176.6 | -72.9 | 174 | 7.2 | 0 | 0 | 112.2 | K58 K59 A60 | K58-Q62 WeakPolarHBondContact O-CG 2.75Å; K58-Q62 PolarHBondContact O-N 3.47Å; K59-Q62 WeakPolarHBondContact O-CB 3.47Å; K59-Q62 PolarHBondContact O-N 3.26Å; A60-Q62 PolarHBondContact O-N 3.15Å |
| 63 | L | 94.1 | Very high | 94.8 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 31% | 0.314 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -77 | -39.9 | -179.9 | -67.1 | 167.9 | 0 | 0 | 0 | 111.8 | D32 A34 F37 K59 A60 Q61 | D32-L63 HydrophobicContact CB-CD2 4.02Å; D32-L63 WeakPolarHBondContact O-CD1 3.13Å; A34-L63 HydrophobicContact CB-CB 3.71Å; A34-L63 HydrophobicContact CB-CD1 4.4Å; F37-L63 HydrophobicContact CD2-CD1 3.61Å; F37-L63 HydrophobicContact CE2-CD1 3.72Å; K59-L63 HydrophobicContact CG-CD1 4.26Å; K59-L63 WeakPolarHBondContact O-CG 3.42Å; K59-L63 PolarHBondContact O-N 2.77Å; K59-L63 VanDerWaalsContact O-N 3.12Å; A60-L63 PolarHBondContact O-N 2.88Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.97Å |
| 64 | K | 94.1 | Very high | 94.8 | Very high | 76 Ų | 76 | 44.5 Ų | 44.5 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | trans | -139.7 | 88.6 | -179.6 | -168.7 | 173.9 | 178 | 177.8 | 0 | 110.6 | A34 E35 A60 Q61 S66 L67 | A34-K64 HydrophobicContact CB-CB 3.67Å; E35-K64 IonicContact OE1-NZ 2.73Å; E35-K64 PolarHBondContact OE1-NZ 3.21Å; E35-K64 VanDerWaalsContact OE1-NZ 3.13Å; A60-K64 PolarHBondContact O-N 3.49Å; Q61-K64 CarbonylContact O-C 3.32Å; K64-S66 PolarHBondContact O-N 3.3Å; K64-S66 VanDerWaalsContact O-N 3.11Å; K64-L67 HydrophobicContact CB-CB 4.36Å; K64-L67 HydrophobicContact CD-CB 4.31Å; K64-L67 HydrophobicContact CG-CB 4.17Å; K64-L67 WeakPolarHBondContact O-CB 3.39Å; K64-L67 PolarHBondContact O-N 2.93Å | ||
| 65 | P | 92.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 44.1 Ų | 44.1 | 56% | 0.558 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17 | -179.8 | -24.2 | 33.8 | 0 | 0 | 0 | 114.4 | Q61 L67 L97 | Q61-P65 VanDerWaalsContact O-CA 3.32Å; Q61-P65 WeakPolarHBondContact O-CA 3.37Å; Q61-P65 WeakPolarHBondContact O-CD 3.26Å; Q61-P65 WeakPolarHBondContact O-CG 3.12Å; Q61-P65 VanDerWaalsContact O-N 3.11Å; P65-L67 VanDerWaalsContact C-N 3.31Å; P65-L97 VanDerWaalsContact O-CD1 3.32Å; P65-L97 WeakPolarHBondContact O-CD1 3.36Å |
| 66 | S | 91.8 | Very high | 94.7 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 57% | 0.573 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 17.7 | 178.8 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | K64 P68 | K64-S66 PolarHBondContact O-N 3.3Å; K64-S66 VanDerWaalsContact O-N 3.11Å; S66-P68 VanDerWaalsContact O-CD 3.3Å; S66-P68 WeakPolarHBondContact O-CD 3.33Å |
| 67 | L | 92.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | trans | -100 | 99.6 | -179.8 | -175.6 | 60.4 | 0 | 0 | 0 | 110.9 | C38 K64 P65 L69 A70 | C38-L67 HydrophobicContact CB-CD2 3.98Å; K64-L67 HydrophobicContact CB-CB 4.36Å; K64-L67 HydrophobicContact CD-CB 4.31Å; K64-L67 HydrophobicContact CG-CB 4.17Å; K64-L67 WeakPolarHBondContact O-CB 3.39Å; K64-L67 PolarHBondContact O-N 2.93Å; P65-L67 VanDerWaalsContact C-N 3.31Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 HydrophobicContact CD1-CB 4.39Å; L67-L69 HydrophobicContact CG-CB 4.44Å; L67-L69 PolarHBondContact O-N 3.31Å; L67-A70 HydrophobicContact CB-CB 4.33Å; L67-A70 HydrophobicContact CD2-CB 4.09Å; L67-A70 HydrophobicContact CG-CB 4.15Å; L67-A70 PolarHBondContact O-N 3.19Å; L67-A70 VanDerWaalsContact O-N 3.15Å | ||
| 68 | P | 93.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -37.8 | -176.3 | -17.9 | 29.6 | 0 | 0 | 0 | 112.3 | S66 A70 F71 M72 L97 D98 F104 | S66-P68 VanDerWaalsContact O-CD 3.3Å; S66-P68 WeakPolarHBondContact O-CD 3.33Å; P68-A70 PolarHBondContact O-N 2.87Å; P68-F71 WeakPolarHBondContact O-CB 3.32Å; P68-F71 PolarHBondContact O-N 3.3Å; P68-M72 PolarHBondContact O-N 3.43Å; P68-L97 HydrophobicContact CB-CB 4.28Å; P68-L97 HydrophobicContact CG-CB 3.9Å; P68-D98 HydrophobicContact CB-CB 3.83Å; P68-D98 HydrophobicContact CG-CB 3.66Å; P68-F104 HydrophobicContact CB-CE2 4.18Å; P68-F104 HydrophobicContact CB-CZ 4.01Å; P68-F104 WeakPolarHBondContact O-CZ 3.37Å |
| 69 | L | 92.9 | Very high | 94.7 | Very high | 75 Ų | 75 | 37 Ų | 37 | 39% | 0.393 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.4 | -35.2 | 177.9 | -80.4 | 160.1 | 0 | 0 | 0 | 112.7 | L67 F71 M72 R73 | L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 HydrophobicContact CD1-CB 4.39Å; L67-L69 HydrophobicContact CG-CB 4.44Å; L67-L69 PolarHBondContact O-N 3.31Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 PolarHBondContact O-N 3.06Å; L69-M72 WeakPolarHBondContact O-CB 3.49Å; L69-M72 PolarHBondContact O-N 2.91Å; L69-R73 WeakPolarHBondContact O-CG 3.33Å; L69-R73 PolarHBondContact O-N 2.98Å |
| 70 | A | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A60 Q61 L67 P68 T74 | A60-A70 HydrophobicContact CB-CB 3.94Å; Q61-A70 HydrophobicContact CG-CB 3.73Å; Q61-A70 PolarHBondContact NE2-O 3.09Å; Q61-A70 VanDerWaalsContact NE2-O 3.13Å; L67-A70 HydrophobicContact CB-CB 4.33Å; L67-A70 HydrophobicContact CD2-CB 4.09Å; L67-A70 HydrophobicContact CG-CB 4.15Å; L67-A70 PolarHBondContact O-N 3.19Å; L67-A70 VanDerWaalsContact O-N 3.15Å; P68-A70 PolarHBondContact O-N 2.87Å; A70-T74 PolarHBondContact O-N 3.29Å; A70-T74 PolarHBondContact O-OG1 3.24Å |
| 71 | F | 96.4 | Very high | 94.3 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | 172 | -71.3 | -81.7 | 0 | 0 | 0 | 112 | Q61 P68 L69 T74 G75 A90 Q93 L97 | Q61-F71 HydrophobicContact CG-CD1 4.48Å; Q61-F71 HydrophobicContact CG-CD2 4.33Å; Q61-F71 HydrophobicContact CG-CE1 4.24Å; Q61-F71 HydrophobicContact CG-CE2 4.08Å; Q61-F71 HydrophobicContact CG-CZ 4.05Å; P68-F71 WeakPolarHBondContact O-CB 3.32Å; P68-F71 PolarHBondContact O-N 3.3Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 PolarHBondContact O-N 3.06Å; F71-T74 PolarHBondContact O-N 2.8Å; F71-G75 PolarHBondContact O-N 3.21Å; F71-A90 WeakPolarHBondContact CB-O 3.5Å; F71-Q93 HydrophobicContact CD1-CB 3.76Å; F71-Q93 HydrophobicContact CE1-CB 3.84Å; F71-Q93 VanDerWaalsContact CE1-OE1 3.3Å; F71-Q93 HydrophobicContact CG-CB 4.42Å; F71-L97 HydrophobicContact CD2-CD1 3.61Å; F71-L97 HydrophobicContact CE2-CD1 3.38Å; F71-L97 HydrophobicContact CZ-CD1 4.33Å |
| 72 | M | 95.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | 173.5 | -174.7 | 68 | 77.8 | 0 | 0 | 111.4 | P68 L69 T74 G75 I76 F91 F104 W107 | P68-M72 PolarHBondContact O-N 3.43Å; L69-M72 WeakPolarHBondContact O-CB 3.49Å; L69-M72 PolarHBondContact O-N 2.91Å; M72-T74 PolarHBondContact O-N 3.07Å; M72-G75 PolarHBondContact O-N 3.43Å; M72-I76 HydrophobicContact CG-CD1 4Å; M72-I76 VanDerWaalsContact O-CG1 3.31Å; M72-I76 WeakPolarHBondContact O-CG1 3.32Å; M72-I76 PolarHBondContact O-N 2.93Å; M72-I76 HydrophobicContact SD-CD1 4.39Å; M72-F91 WeakPolarHBondContact O-CE1 3.41Å; M72-F91 HydrophobicContact SD-CD1 3.86Å; M72-F91 HydrophobicContact SD-CE1 3.6Å; M72-F91 VanDerWaalsContact SD-CE1 3.6Å; M72-F104 HydrophobicContact CB-CE1 3.81Å; M72-F104 HydrophobicContact CB-CZ 3.97Å; M72-F104 HydrophobicContact CE-CB 4.47Å; M72-F104 HydrophobicContact CE-CD1 3.46Å; M72-F104 VanDerWaalsContact CE-CD1 3.46Å; M72-F104 HydrophobicContact CE-CD2 3.78Å; M72-F104 HydrophobicContact CE-CE1 3.44Å; M72-F104 VanDerWaalsContact CE-CE1 3.44Å; M72-F104 HydrophobicContact CE-CE2 3.75Å; M72-F104 HydrophobicContact CE-CG 3.63Å; M72-F104 HydrophobicContact CE-CZ 3.59Å; M72-F104 HydrophobicContact CG-CE1 4.48Å; M72-F104 HydrophobicContact SD-CD1 4.11Å; M72-F104 HydrophobicContact SD-CE1 4Å; M72-W107 HydrophobicContact SD-CG 4.49Å |
| 73 | R | 96.1 | Very high | 94 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.5 | -60.4 | -47.5 | -179.6 | -164 | 3.2 | 111.9 | D9 A41 Y42 I45 A57 L69 I76 G77 | D9-R73 IonicContact OD2-NH2 3.53Å; D9-R73 PolarHBondContact OD2-NH2 3.22Å; A41-R73 HydrophobicContact CB-CB 4.16Å; A41-R73 HydrophobicContact CB-CG 4.47Å; Y42-R73 VanDerWaalsContact CE2-NH1 3.34Å; Y42-R73 VanDerWaalsContact CG-CZ 3.45Å; I45-R73 HydrophobicContact CD1-CB 3.92Å; I45-R73 HydrophobicContact CD1-CG 4.35Å; A57-R73 HydrophobicContact CB-CB 4.01Å; L69-R73 WeakPolarHBondContact O-CG 3.33Å; L69-R73 PolarHBondContact O-N 2.98Å; R73-I76 PolarHBondContact O-N 3.49Å; R73-G77 PolarHBondContact O-N 2.97Å; R73-G77 VanDerWaalsContact O-N 3.08Å |
| 74 | T | 96.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 173 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | I54 A57 Q61 A70 F71 M72 I76 G77 E78 A90 | I54-T74 HydrophobicContact CG2-CG2 4.49Å; A57-T74 WeakPolarHBondContact CB-OG1 3.41Å; Q61-T74 PolarHBondContact NE2-OG1 3.47Å; A70-T74 PolarHBondContact O-N 3.29Å; A70-T74 PolarHBondContact O-OG1 3.24Å; F71-T74 PolarHBondContact O-N 2.8Å; M72-T74 PolarHBondContact O-N 3.07Å; T74-I76 VanDerWaalsContact C-N 3.34Å; T74-I76 PolarHBondContact O-N 3.06Å; T74-G77 PolarHBondContact O-N 3.01Å; T74-E78 HydrophobicContact CG2-CG 4.11Å; T74-E78 WeakPolarHBondContact O-CG 3.18Å; T74-E78 PolarHBondContact O-N 3.43Å; T74-A90 HydrophobicContact CG2-CB 4.11Å |
| 75 | G | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F71 M72 E78 Y79 A87 F91 | F71-G75 PolarHBondContact O-N 3.21Å; M72-G75 PolarHBondContact O-N 3.43Å; G75-E78 PolarHBondContact O-N 2.94Å; G75-Y79 VanDerWaalsContact O-CB 3.23Å; G75-Y79 WeakPolarHBondContact O-CB 3.34Å; G75-Y79 PolarHBondContact O-N 2.95Å; G75-A87 WeakPolarHBondContact O-CB 3.48Å; G75-F91 VanDerWaalsContact CA-CZ 3.44Å |
| 76 | I | 94.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.4 | -67 | 166.9 | 0 | 0 | 0 | 110.8 | I45 M72 R73 T74 Y79 H80 F91 W107 | I45-I76 HydrophobicContact CD1-CB 4.17Å; I45-I76 HydrophobicContact CD1-CG2 4.08Å; I45-I76 HydrophobicContact CG1-CG2 4.36Å; I45-I76 HydrophobicContact CG2-CG2 3.75Å; M72-I76 HydrophobicContact CG-CD1 4Å; M72-I76 VanDerWaalsContact O-CG1 3.31Å; M72-I76 WeakPolarHBondContact O-CG1 3.32Å; M72-I76 PolarHBondContact O-N 2.93Å; M72-I76 HydrophobicContact SD-CD1 4.39Å; R73-I76 PolarHBondContact O-N 3.49Å; T74-I76 VanDerWaalsContact C-N 3.34Å; T74-I76 PolarHBondContact O-N 3.06Å; I76-Y79 PolarHBondContact O-N 2.66Å; I76-H80 PolarHBondContact O-CD2 2.76Å; I76-H80 PolarHBondContact O-N 2.65Å; I76-H80 VanDerWaalsContact O-N 3.11Å; I76-F91 HydrophobicContact CG1-CE1 4.05Å; I76-F91 HydrophobicContact CG1-CZ 3.97Å; I76-F91 VanDerWaalsContact N-CZ 3.26Å; I76-W107 HydrophobicContact CD1-CZ2 4.28Å; I76-W107 HydrophobicContact CG1-CD2 4.45Å; I76-W107 HydrophobicContact CG1-CH2 4.32Å; I76-W107 HydrophobicContact CG1-CZ2 3.84Å |
| 77 | G | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.7 | -50.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | R73 T74 Y79 H80 L81 | R73-G77 PolarHBondContact O-N 2.97Å; R73-G77 VanDerWaalsContact O-N 3.08Å; T74-G77 PolarHBondContact O-N 3.01Å; G77-Y79 VanDerWaalsContact C-N 3.32Å; G77-Y79 PolarHBondContact O-N 2.75Å; G77-H80 PolarHBondContact O-N 2.89Å; G77-L81 WeakPolarHBondContact O-CG 3.3Å; G77-L81 PolarHBondContact O-N 3.43Å; G77-L81 VanDerWaalsContact O-N 3.08Å |
| 78 | E | 95.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -37.1 | -179.9 | -66.8 | -78 | -170.6 | 0 | 0 | 111.5 | I54 K58 T74 G75 H80 L81 K82 N83 S86 A87 | I54-E78 HydrophobicContact CD1-CG 3.9Å; I54-E78 HydrophobicContact CG1-CG 4.19Å; K58-E78 IonicContact NZ-OE1 3.54Å; K58-E78 PolarHBondContact NZ-OE1 3.4Å; K58-E78 VanDerWaalsContact NZ-OE1 3.12Å; T74-E78 HydrophobicContact CG2-CG 4.11Å; T74-E78 WeakPolarHBondContact O-CG 3.18Å; T74-E78 PolarHBondContact O-N 3.43Å; G75-E78 PolarHBondContact O-N 2.94Å; E78-H80 PolarHBondContact O-N 2.79Å; E78-L81 CarbonylContact O-C 3.5Å; E78-L81 PolarHBondContact O-N 3.3Å; E78-K82 PolarHBondContact O-N 2.93Å; E78-K82 VanDerWaalsContact O-N 3.14Å; E78-N83 HydrophobicContact CB-CB 4.31Å; E78-N83 PolarHBondContact O-N 2.86Å; E78-N83 WeakPolarHBondContact OE2-CB 3.5Å; E78-N83 PolarHBondContact OE2-ND2 3.18Å; E78-S86 PolarHBondContact OE1-OG 2.72Å; E78-A87 HydrophobicContact CB-CB 3.91Å |
| 79 | Y | 95.3 | Very high | 94.3 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -46.2 | 174.8 | 177.4 | -88.8 | 0 | 0 | 0 | 111.4 | G75 I76 G77 L81 K82 Y84 W107 R110 M114 | G75-Y79 VanDerWaalsContact O-CB 3.23Å; G75-Y79 WeakPolarHBondContact O-CB 3.34Å; G75-Y79 PolarHBondContact O-N 2.95Å; I76-Y79 PolarHBondContact O-N 2.66Å; G77-Y79 VanDerWaalsContact C-N 3.32Å; G77-Y79 PolarHBondContact O-N 2.75Å; Y79-L81 VanDerWaalsContact C-N 3.28Å; Y79-L81 PolarHBondContact O-N 3.39Å; Y79-K82 WeakPolarHBondContact O-CA 3.46Å; Y79-K82 PolarHBondContact O-N 3.49Å; Y79-Y84 AromaticContact CD2-CD1 3.72Å; Y79-Y84 HydrophobicContact CD2-CD1 3.72Å; Y79-Y84 AromaticContact CD2-CE1 3.94Å; Y79-Y84 HydrophobicContact CD2-CE1 3.94Å; Y79-Y84 AromaticContact CE2-CD1 3.92Å; Y79-Y84 HydrophobicContact CE2-CD1 3.92Å; Y79-Y84 AromaticContact CE2-CE1 3.86Å; Y79-Y84 HydrophobicContact CE2-CE1 3.86Å; Y79-Y84 HydrophobicContact CG-CD1 4.45Å; Y79-Y84 HydrophobicContact CG-CE1 4.46Å; Y79-Y84 WeakPolarHBondContact O-CE1 3.41Å; Y79-W107 HydrophobicContact CD1-CH2 4.42Å; Y79-W107 AromaticContact CD1-CZ3 3.68Å; Y79-W107 HydrophobicContact CD1-CZ3 3.68Å; Y79-W107 HydrophobicContact CD2-CE3 4.47Å; Y79-W107 HydrophobicContact CD2-CZ3 4.25Å; Y79-W107 HydrophobicContact CE1-CZ3 4Å; Y79-W107 HydrophobicContact CG-CE3 4.37Å; Y79-W107 AromaticContact CG-CZ3 3.84Å; Y79-W107 HydrophobicContact CG-CZ3 3.84Å; Y79-R110 HydrophobicContact CE2-CG 3.89Å; Y79-R110 PolarHBondContact OH-NE 3.17Å; Y79-M114 HydrophobicContact CE2-CB 4.49Å; Y79-M114 HydrophobicContact CE2-CG 3.72Å |
| 80 | H | 92.4 | Very high | 94.4 | Very high | 81 Ų | 81 | 38.5 Ų | 38.5 | 38% | 0.375 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.4 | -24 | 177.9 | -79 | -69.3 | 0 | 0 | 0 | 113.6 | Y50 I76 G77 E78 | Y50-H80 HydrophobicContact CD1-CB 3.6Å; Y50-H80 AromaticContact CD1-CG 3.99Å; Y50-H80 HydrophobicContact CD2-CB 3.69Å; Y50-H80 HydrophobicContact CE1-CB 3.53Å; Y50-H80 AromaticContact CE1-CD2 3.47Å; Y50-H80 VanDerWaalsContact CE1-CD2 3.47Å; Y50-H80 WeakPolarHBondContact CE1-CD2 3.4Å; Y50-H80 AromaticContact CE1-CG 3.45Å; Y50-H80 VanDerWaalsContact CE1-CG 3.45Å; Y50-H80 HydrophobicContact CE2-CB 3.63Å; Y50-H80 HydrophobicContact CG-CB 3.67Å; Y50-H80 AromaticContact CZ-CD2 3.94Å; Y50-H80 AromaticContact CZ-CG 3.5Å; Y50-H80 VanDerWaalsContact CZ-CG 3.5Å; Y50-H80 AromaticContact CZ-ND1 3.83Å; I76-H80 PolarHBondContact O-CD2 2.76Å; I76-H80 PolarHBondContact O-N 2.65Å; I76-H80 VanDerWaalsContact O-N 3.11Å; G77-H80 PolarHBondContact O-N 2.89Å; E78-H80 PolarHBondContact O-N 2.79Å |
| 81 | L | 91.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 38.5 Ų | 38.5 | 39% | 0.387 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.9 | 169 | -65.9 | -175.6 | 0 | 0 | 0 | 113.7 | I54 G77 E78 Y79 N83 | I54-L81 HydrophobicContact CD1-CD1 3.41Å; I54-L81 VanDerWaalsContact CD1-CD1 3.41Å; I54-L81 HydrophobicContact CD1-CG 4.28Å; G77-L81 WeakPolarHBondContact O-CG 3.3Å; G77-L81 PolarHBondContact O-N 3.43Å; G77-L81 VanDerWaalsContact O-N 3.08Å; E78-L81 CarbonylContact O-C 3.5Å; E78-L81 PolarHBondContact O-N 3.3Å; Y79-L81 VanDerWaalsContact C-N 3.28Å; Y79-L81 PolarHBondContact O-N 3.39Å; L81-N83 VanDerWaalsContact C-N 3.25Å; L81-N83 PolarHBondContact O-N 2.84Å |
| 82 | K | 91.6 | Very high | 94.4 | Very high | 138 Ų | 138 | 39.6 Ų | 39.6 | 60% | 0.6 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 18.5 | -178.2 | -47.7 | -178.9 | 179.9 | -179.6 | 0 | 114.9 | E78 Y79 Y84 | E78-K82 PolarHBondContact O-N 2.93Å; E78-K82 VanDerWaalsContact O-N 3.14Å; Y79-K82 WeakPolarHBondContact O-CA 3.46Å; Y79-K82 PolarHBondContact O-N 3.49Å; K82-Y84 VanDerWaalsContact C-N 3.27Å; K82-Y84 HydrophobicContact CB-CE1 4.41Å; K82-Y84 HydrophobicContact CB-CE2 4.17Å; K82-Y84 PolarHBondContact O-N 3.31Å; K82-Y84 VanDerWaalsContact O-N 3.16Å |
| 83 | N | 90.4 | Very high | 94.3 | Very high | 79 Ų | 79 | 43.1 Ų | 43.1 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | trans | -87.9 | 66.3 | 173.1 | -64.3 | -23.4 | 0 | 0 | 0 | 109.3 | E78 L81 E85 S86 A87 | E78-N83 HydrophobicContact CB-CB 4.31Å; E78-N83 PolarHBondContact O-N 2.86Å; E78-N83 WeakPolarHBondContact OE2-CB 3.5Å; E78-N83 PolarHBondContact OE2-ND2 3.18Å; L81-N83 VanDerWaalsContact C-N 3.25Å; L81-N83 PolarHBondContact O-N 2.84Å; N83-E85 VanDerWaalsContact C-N 3.3Å; N83-E85 PolarHBondContact O-N 3.22Å; N83-S86 PolarHBondContact O-N 2.83Å; N83-A87 PolarHBondContact O-N 2.86Å | ||
| 84 | Y | 93.2 | Very high | 94.2 | Very high | 19 Ų | 19 | 42 Ų | 42 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -30.7 | -168.4 | -53.4 | -57.1 | 0 | 0 | 0 | 113.8 | Y79 K82 A87 H88 M114 Q118 | Y79-Y84 AromaticContact CD2-CD1 3.72Å; Y79-Y84 HydrophobicContact CD2-CD1 3.72Å; Y79-Y84 AromaticContact CD2-CE1 3.94Å; Y79-Y84 HydrophobicContact CD2-CE1 3.94Å; Y79-Y84 AromaticContact CE2-CD1 3.92Å; Y79-Y84 HydrophobicContact CE2-CD1 3.92Å; Y79-Y84 AromaticContact CE2-CE1 3.86Å; Y79-Y84 HydrophobicContact CE2-CE1 3.86Å; Y79-Y84 HydrophobicContact CG-CD1 4.45Å; Y79-Y84 HydrophobicContact CG-CE1 4.46Å; Y79-Y84 WeakPolarHBondContact O-CE1 3.41Å; K82-Y84 VanDerWaalsContact C-N 3.27Å; K82-Y84 HydrophobicContact CB-CE1 4.41Å; K82-Y84 HydrophobicContact CB-CE2 4.17Å; K82-Y84 PolarHBondContact O-N 3.31Å; K82-Y84 VanDerWaalsContact O-N 3.16Å; Y84-A87 PolarHBondContact O-N 2.94Å; Y84-H88 WeakPolarHBondContact O-CB 3.4Å; Y84-H88 PolarHBondContact O-N 3.41Å; Y84-M114 HydrophobicContact CD1-CB 3.77Å; Y84-M114 HydrophobicContact CD1-CG 4.31Å; Y84-M114 HydrophobicContact CD2-CB 3.76Å; Y84-M114 HydrophobicContact CE1-CB 3.84Å; Y84-M114 HydrophobicContact CE1-CE 4.1Å; Y84-M114 HydrophobicContact CE1-CG 4.06Å; Y84-M114 HydrophobicContact CE2-CB 3.84Å; Y84-M114 HydrophobicContact CE2-CE 4.12Å; Y84-M114 HydrophobicContact CG-CB 3.74Å; Y84-M114 WeakPolarHBondContact OH-CE 3.29Å; Y84-Q118 VanDerWaalsContact CD2-CD 3.44Å; Y84-Q118 HydrophobicContact CD2-CG 4.16Å; Y84-Q118 HydrophobicContact CE2-CG 4.11Å |
| 85 | E | 92.4 | Very high | 94.2 | Very high | 151 Ų | 151 | 44.3 Ų | 44.3 | 71% | 0.706 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.1 | -47.5 | 173.7 | -65.7 | -179.2 | 173.3 | 0 | 0 | 111.8 | N83 A87 H88 S89 M115 | N83-E85 VanDerWaalsContact C-N 3.3Å; N83-E85 PolarHBondContact O-N 3.22Å; E85-A87 VanDerWaalsContact C-N 3.32Å; E85-A87 PolarHBondContact O-N 2.69Å; E85-H88 PolarHBondContact O-N 3.39Å; E85-S89 PolarHBondContact O-N 3.47Å; E85-M115 HydrophobicContact CB-SD 4.28Å; E85-M115 HydrophobicContact CG-SD 3.76Å |
| 86 | S | 91.9 | Very high | 94.1 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.7 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | E78 N83 S89 A90 | E78-S86 PolarHBondContact OE1-OG 2.72Å; N83-S86 PolarHBondContact O-N 2.83Å; S86-S89 PolarHBondContact O-N 2.95Å; S86-A90 WeakPolarHBondContact O-CB 3.27Å; S86-A90 PolarHBondContact O-N 2.92Å |
| 87 | A | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G75 E78 N83 Y84 E85 S89 A90 F91 C111 | G75-A87 WeakPolarHBondContact O-CB 3.48Å; E78-A87 HydrophobicContact CB-CB 3.91Å; N83-A87 PolarHBondContact O-N 2.86Å; Y84-A87 PolarHBondContact O-N 2.94Å; E85-A87 VanDerWaalsContact C-N 3.32Å; E85-A87 PolarHBondContact O-N 2.69Å; A87-S89 PolarHBondContact O-N 2.95Å; A87-A90 PolarHBondContact O-N 2.77Å; A87-F91 HydrophobicContact CB-CD2 4.42Å; A87-F91 HydrophobicContact CB-CE2 4.08Å; A87-F91 WeakPolarHBondContact O-CD2 3.46Å; A87-F91 WeakPolarHBondContact O-CG 3.43Å; A87-F91 PolarHBondContact O-N 2.91Å; A87-C111 VanDerWaalsContact CB-SG 3.59Å |
| 88 | H | 96.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 21% | 0.213 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 177.5 | -177.1 | -84.5 | 0 | 0 | 0 | 111.9 | Y84 E85 A90 F91 T92 C111 E112 M115 | Y84-H88 WeakPolarHBondContact O-CB 3.4Å; Y84-H88 PolarHBondContact O-N 3.41Å; E85-H88 PolarHBondContact O-N 3.39Å; H88-A90 PolarHBondContact O-N 2.82Å; H88-F91 PolarHBondContact O-N 3.16Å; H88-T92 WeakPolarHBondContact O-CB 3.19Å; H88-T92 PolarHBondContact O-N 3.38Å; H88-T92 PolarHBondContact O-OG1 3.04Å; H88-C111 HydrophobicContact CB-CB 3.88Å; H88-E112 IonicContact CD2-OE1 3.8Å; H88-E112 IonicContact CE1-OE1 3.45Å; H88-E112 IonicContact NE2-OE1 3.13Å; H88-E112 PolarHBondContact NE2-OE1 3.37Å; H88-M115 HydrophobicContact CB-CE 3.73Å; H88-M115 HydrophobicContact CB-SD 4.38Å |
| 89 | S | 95.3 | Very high | 93.4 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 112 | E85 S86 A87 T92 Q93 | E85-S89 PolarHBondContact O-N 3.47Å; S86-S89 PolarHBondContact O-N 2.95Å; A87-S89 PolarHBondContact O-N 2.95Å; S89-T92 PolarHBondContact O-N 3.29Å; S89-Q93 WeakPolarHBondContact O-CG 3.27Å; S89-Q93 PolarHBondContact O-N 2.93Å; S89-Q93 PolarHBondContact OG-NE2 3.44Å; S89-Q93 VanDerWaalsContact OG-NE2 3.11Å |
| 90 | A | 95.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 67 Ų | 67 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F71 T74 S86 A87 H88 T92 Q93 G94 | F71-A90 WeakPolarHBondContact CB-O 3.5Å; T74-A90 HydrophobicContact CG2-CB 4.11Å; S86-A90 WeakPolarHBondContact O-CB 3.27Å; S86-A90 PolarHBondContact O-N 2.92Å; A87-A90 PolarHBondContact O-N 2.77Å; H88-A90 PolarHBondContact O-N 2.82Å; A90-T92 PolarHBondContact O-N 3.16Å; A90-Q93 PolarHBondContact O-N 3.33Å; A90-G94 PolarHBondContact O-N 2.92Å |
| 91 | F | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 178.2 | -65.4 | -56.2 | 0 | 0 | 0 | 112.7 | M72 G75 I76 A87 H88 G94 Q95 F104 W107 I108 | M72-F91 WeakPolarHBondContact O-CE1 3.41Å; M72-F91 HydrophobicContact SD-CD1 3.86Å; M72-F91 HydrophobicContact SD-CE1 3.6Å; M72-F91 VanDerWaalsContact SD-CE1 3.6Å; G75-F91 VanDerWaalsContact CA-CZ 3.44Å; I76-F91 HydrophobicContact CG1-CE1 4.05Å; I76-F91 HydrophobicContact CG1-CZ 3.97Å; I76-F91 VanDerWaalsContact N-CZ 3.26Å; A87-F91 HydrophobicContact CB-CD2 4.42Å; A87-F91 HydrophobicContact CB-CE2 4.08Å; A87-F91 WeakPolarHBondContact O-CD2 3.46Å; A87-F91 WeakPolarHBondContact O-CG 3.43Å; A87-F91 PolarHBondContact O-N 2.91Å; H88-F91 PolarHBondContact O-N 3.16Å; F91-G94 PolarHBondContact O-N 3.09Å; F91-Q95 WeakPolarHBondContact O-CB 3.32Å; F91-Q95 PolarHBondContact O-N 3.16Å; F91-F104 HydrophobicContact CB-CD1 4.22Å; F91-F104 HydrophobicContact CD1-CD1 4.09Å; F91-F104 HydrophobicContact CD1-CE1 4.45Å; F91-F104 VanDerWaalsContact O-CD1 3.24Å; F91-F104 WeakPolarHBondContact O-CD1 3.36Å; F91-W107 HydrophobicContact CD1-CB 3.78Å; F91-W107 HydrophobicContact CD1-CG 4.24Å; F91-W107 HydrophobicContact CD2-CB 3.68Å; F91-W107 HydrophobicContact CE1-CB 3.69Å; F91-W107 AromaticContact CE1-CD1 3.99Å; F91-W107 HydrophobicContact CE1-CD2 4.16Å; F91-W107 AromaticContact CE1-CG 3.68Å; F91-W107 HydrophobicContact CE1-CG 3.68Å; F91-W107 HydrophobicContact CE2-CB 3.6Å; F91-W107 HydrophobicContact CE2-CD2 4.18Å; F91-W107 HydrophobicContact CE2-CE3 4.02Å; F91-W107 HydrophobicContact CE2-CG 4.05Å; F91-W107 HydrophobicContact CG-CB 3.77Å; F91-W107 HydrophobicContact CZ-CB 3.58Å; F91-W107 AromaticContact CZ-CD2 3.63Å; F91-W107 HydrophobicContact CZ-CD2 3.63Å; F91-W107 AromaticContact CZ-CE3 3.78Å; F91-W107 HydrophobicContact CZ-CE3 3.78Å; F91-W107 AromaticContact CZ-CG 3.55Å; F91-W107 HydrophobicContact CZ-CG 3.55Å; F91-I108 HydrophobicContact CB-CD1 4.3Å; F91-I108 HydrophobicContact CB-CG1 3.6Å |
| 92 | T | 95.1 | Very high | 92.9 | Very high | 42 Ų | 42 | 69.6 Ų | 69.6 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | H88 S89 A90 Q95 Q96 | H88-T92 WeakPolarHBondContact O-CB 3.19Å; H88-T92 PolarHBondContact O-N 3.38Å; H88-T92 PolarHBondContact O-OG1 3.04Å; S89-T92 PolarHBondContact O-N 3.29Å; A90-T92 PolarHBondContact O-N 3.16Å; T92-Q95 PolarHBondContact O-N 2.88Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.9Å; T92-Q96 VanDerWaalsContact O-N 3.11Å |
| 93 | Q | 94.2 | Very high | 92.9 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.6 | -72.9 | 175.8 | 54.2 | 0 | 0 | 111.7 | F71 S89 A90 Q96 L97 | F71-Q93 HydrophobicContact CD1-CB 3.76Å; F71-Q93 HydrophobicContact CE1-CB 3.84Å; F71-Q93 VanDerWaalsContact CE1-OE1 3.3Å; F71-Q93 HydrophobicContact CG-CB 4.42Å; S89-Q93 WeakPolarHBondContact O-CG 3.27Å; S89-Q93 PolarHBondContact O-N 2.93Å; S89-Q93 PolarHBondContact OG-NE2 3.44Å; S89-Q93 VanDerWaalsContact OG-NE2 3.11Å; A90-Q93 PolarHBondContact O-N 3.33Å; Q93-Q96 PolarHBondContact O-N 3.36Å; Q93-L97 PolarHBondContact O-N 3.36Å |
| 94 | G | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A90 F91 Q96 L97 D98 | A90-G94 PolarHBondContact O-N 2.92Å; F91-G94 PolarHBondContact O-N 3.09Å; G94-Q96 VanDerWaalsContact C-N 3.31Å; G94-Q96 PolarHBondContact O-N 3.4Å; G94-L97 WeakPolarHBondContact O-CB 3.43Å; G94-L97 PolarHBondContact O-N 2.94Å; G94-D98 PolarHBondContact O-N 3.36Å |
| 95 | Q | 95.1 | Very high | 93 | Very high | 53 Ų | 53 | 65 Ų | 65 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 176.2 | -169.1 | -179.8 | 29.5 | 0 | 0 | 112.7 | F91 T92 L97 D98 D99 F104 I108 | F91-Q95 WeakPolarHBondContact O-CB 3.32Å; F91-Q95 PolarHBondContact O-N 3.16Å; T92-Q95 PolarHBondContact O-N 2.88Å; Q95-L97 PolarHBondContact O-N 3.2Å; Q95-D98 CarbonylContact O-C 3.11Å; Q95-D98 PolarHBondContact O-N 2.81Å; Q95-D99 WeakPolarHBondContact O-CA 3.43Å; Q95-D99 PolarHBondContact O-N 3.29Å; Q95-D99 VanDerWaalsContact O-N 3.13Å; Q95-F104 HydrophobicContact CB-CB 3.83Å; Q95-F104 HydrophobicContact CB-CG 4.14Å; Q95-F104 HydrophobicContact CG-CB 4.19Å; Q95-I108 HydrophobicContact CB-CD1 4.37Å; Q95-I108 VanDerWaalsContact OE1-CD1 3.24Å |
| 96 | Q | 93.9 | Very high | 93.1 | Very high | 159 Ų | 159 | 62.2 Ų | 62.2 | 74% | 0.743 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.6 | -25.8 | 175.9 | -72.2 | 177.6 | 1.7 | 0 | 0 | 112.9 | T92 Q93 G94 | T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.9Å; T92-Q96 VanDerWaalsContact O-N 3.11Å; Q93-Q96 PolarHBondContact O-N 3.36Å; G94-Q96 VanDerWaalsContact C-N 3.31Å; G94-Q96 PolarHBondContact O-N 3.4Å |
| 97 | L | 92.1 | Very high | 93.2 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 43% | 0.429 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -87.2 | -31.6 | 177.1 | -61.6 | 173.9 | 0 | 0 | 0 | 112.3 | P65 P68 F71 Q93 G94 Q95 | P65-L97 VanDerWaalsContact O-CD1 3.32Å; P65-L97 WeakPolarHBondContact O-CD1 3.36Å; P68-L97 HydrophobicContact CB-CB 4.28Å; P68-L97 HydrophobicContact CG-CB 3.9Å; F71-L97 HydrophobicContact CD2-CD1 3.61Å; F71-L97 HydrophobicContact CE2-CD1 3.38Å; F71-L97 HydrophobicContact CZ-CD1 4.33Å; Q93-L97 PolarHBondContact O-N 3.36Å; G94-L97 WeakPolarHBondContact O-CB 3.43Å; G94-L97 PolarHBondContact O-N 2.94Å; Q95-L97 PolarHBondContact O-N 3.2Å |
| 98 | D | 90.9 | Very high | 93.2 | Very high | 52 Ų | 52 | 63.2 Ų | 63.2 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | trans | -140.8 | 93.2 | 175 | -173.8 | -1.6 | 0 | 0 | 0 | 111.3 | P68 G94 Q95 S100 D101 | P68-D98 HydrophobicContact CB-CB 3.83Å; P68-D98 HydrophobicContact CG-CB 3.66Å; G94-D98 PolarHBondContact O-N 3.36Å; Q95-D98 CarbonylContact O-C 3.11Å; Q95-D98 PolarHBondContact O-N 2.81Å; D98-S100 PolarHBondContact O-N 3.35Å; D98-S100 WeakPolarHBondContact OD1-CB 3.15Å; D98-S100 PolarHBondContact OD1-N 3.31Å; D98-S100 PolarHBondContact OD1-OG 3.48Å; D98-D101 PolarHBondContact OD1-N 2.71Å | ||
| 99 | D | 87.6 | Confident | 93.1 | Very high | 135 Ų | 135 | 66 Ų | 66 | 72% | 0.722 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -9 | 178.7 | -170.7 | 47.7 | 0 | 0 | 0 | 112.6 | Q95 | Q95-D99 WeakPolarHBondContact O-CA 3.43Å; Q95-D99 PolarHBondContact O-N 3.29Å; Q95-D99 VanDerWaalsContact O-N 3.13Å |
| 100 | S | 89.4 | Confident | 93 | Very high | 98 Ų | 98 | 69.1 Ų | 69.1 | 69% | 0.685 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -27.5 | -178.9 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | D98 K102 | D98-S100 PolarHBondContact O-N 3.35Å; D98-S100 WeakPolarHBondContact OD1-CB 3.15Å; D98-S100 PolarHBondContact OD1-N 3.31Å; D98-S100 PolarHBondContact OD1-OG 3.48Å; S100-K102 PolarHBondContact O-N 3.2Å |
| 101 | D | 88.8 | Confident | 92.9 | Very high | 51 Ų | 51 | 68.8 Ų | 68.8 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | trans | -81.3 | 98.8 | -180 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | D98 S103 F104 | D98-D101 PolarHBondContact OD1-N 2.71Å; D101-S103 PolarHBondContact O-N 3.05Å; D101-S103 WeakPolarHBondContact OD1-CB 3.17Å; D101-S103 PolarHBondContact OD1-N 2.89Å; D101-S103 PolarHBondContact OD1-OG 3.3Å; D101-F104 HydrophobicContact CB-CD2 4Å; D101-F104 HydrophobicContact CB-CE2 4.17Å; D101-F104 PolarHBondContact O-N 2.84Å | ||
| 102 | K | 92 | Very high | 92.6 | Very high | 158 Ų | 158 | 73.4 Ų | 73.4 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -14.2 | 176.4 | -62.9 | -173.8 | 178.1 | -176.9 | 0 | 113.8 | S100 F104 E105 V106 | S100-K102 PolarHBondContact O-N 3.2Å; K102-F104 PolarHBondContact O-N 3.46Å; K102-E105 WeakPolarHBondContact O-CB 3.5Å; K102-E105 PolarHBondContact O-N 3.23Å; K102-E105 VanDerWaalsContact O-N 3.16Å; K102-V106 PolarHBondContact O-N 3.16Å |
| 103 | S | 90.7 | Very high | 92.5 | Very high | 55 Ų | 55 | 77.6 Ų | 77.6 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.8 | -34.9 | 176.2 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | D101 V106 W107 | D101-S103 PolarHBondContact O-N 3.05Å; D101-S103 WeakPolarHBondContact OD1-CB 3.17Å; D101-S103 PolarHBondContact OD1-N 2.89Å; D101-S103 PolarHBondContact OD1-OG 3.3Å; S103-V106 PolarHBondContact O-N 3.36Å; S103-W107 PolarHBondContact O-N 3.45Å; S103-W107 VanDerWaalsContact O-N 3.12Å |
| 104 | F | 92.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 76.2 Ų | 76.2 | 0% | 0.004 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.7 | -71.5 | -71.5 | 0 | 0 | 0 | 112 | P68 M72 F91 Q95 D101 K102 V106 W107 I108 | P68-F104 HydrophobicContact CB-CE2 4.18Å; P68-F104 HydrophobicContact CB-CZ 4.01Å; P68-F104 WeakPolarHBondContact O-CZ 3.37Å; M72-F104 HydrophobicContact CB-CE1 3.81Å; M72-F104 HydrophobicContact CB-CZ 3.97Å; M72-F104 HydrophobicContact CE-CB 4.47Å; M72-F104 HydrophobicContact CE-CD1 3.46Å; M72-F104 VanDerWaalsContact CE-CD1 3.46Å; M72-F104 HydrophobicContact CE-CD2 3.78Å; M72-F104 HydrophobicContact CE-CE1 3.44Å; M72-F104 VanDerWaalsContact CE-CE1 3.44Å; M72-F104 HydrophobicContact CE-CE2 3.75Å; M72-F104 HydrophobicContact CE-CG 3.63Å; M72-F104 HydrophobicContact CE-CZ 3.59Å; M72-F104 HydrophobicContact CG-CE1 4.48Å; M72-F104 HydrophobicContact SD-CD1 4.11Å; M72-F104 HydrophobicContact SD-CE1 4Å; F91-F104 HydrophobicContact CB-CD1 4.22Å; F91-F104 HydrophobicContact CD1-CD1 4.09Å; F91-F104 HydrophobicContact CD1-CE1 4.45Å; F91-F104 VanDerWaalsContact O-CD1 3.24Å; F91-F104 WeakPolarHBondContact O-CD1 3.36Å; Q95-F104 HydrophobicContact CB-CB 3.83Å; Q95-F104 HydrophobicContact CB-CG 4.14Å; Q95-F104 HydrophobicContact CG-CB 4.19Å; D101-F104 HydrophobicContact CB-CD2 4Å; D101-F104 HydrophobicContact CB-CE2 4.17Å; D101-F104 PolarHBondContact O-N 2.84Å; K102-F104 PolarHBondContact O-N 3.46Å; F104-V106 VanDerWaalsContact C-N 3.3Å; F104-V106 PolarHBondContact O-N 3.41Å; F104-W107 PolarHBondContact O-N 2.84Å; F104-I108 WeakPolarHBondContact O-CB 3.38Å; F104-I108 WeakPolarHBondContact O-CG1 3.18Å; F104-I108 PolarHBondContact O-N 3.24Å |
| 105 | E | 92.4 | Very high | 91.8 | Very high | 82 Ų | 82 | 77.8 Ų | 77.8 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 178.6 | -169.1 | -165.6 | 153.2 | 0 | 0 | 111.5 | K102 I108 K109 | K102-E105 WeakPolarHBondContact O-CB 3.5Å; K102-E105 PolarHBondContact O-N 3.23Å; K102-E105 VanDerWaalsContact O-N 3.16Å; E105-I108 PolarHBondContact O-N 3.2Å; E105-K109 HydrophobicContact CG-CD 4.49Å; E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 3.12Å; E105-K109 WeakPolarHBondContact OE1-CE 3.21Å; E105-K109 IonicContact OE1-NZ 3.36Å; E105-K109 PolarHBondContact OE1-NZ 3.04Å |
| 106 | V | 94.5 | Very high | 90.9 | Very high | 94 Ų | 94 | 76.9 Ų | 76.9 | 57% | 0.57 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 178 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | K102 S103 F104 R110 | K102-V106 PolarHBondContact O-N 3.16Å; S103-V106 PolarHBondContact O-N 3.36Å; F104-V106 VanDerWaalsContact C-N 3.3Å; F104-V106 PolarHBondContact O-N 3.41Å; V106-R110 WeakPolarHBondContact O-CB 3.45Å; V106-R110 PolarHBondContact O-N 3.03Å |
| 107 | W | 94.4 | Very high | 89.7 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 21% | 0.212 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 179 | -81.5 | 114.4 | 0 | 0 | 0 | 113.1 | M72 I76 Y79 F91 S103 F104 R110 C111 | M72-W107 HydrophobicContact SD-CG 4.49Å; I76-W107 HydrophobicContact CD1-CZ2 4.28Å; I76-W107 HydrophobicContact CG1-CD2 4.45Å; I76-W107 HydrophobicContact CG1-CH2 4.32Å; I76-W107 HydrophobicContact CG1-CZ2 3.84Å; Y79-W107 HydrophobicContact CD1-CH2 4.42Å; Y79-W107 AromaticContact CD1-CZ3 3.68Å; Y79-W107 HydrophobicContact CD1-CZ3 3.68Å; Y79-W107 HydrophobicContact CD2-CE3 4.47Å; Y79-W107 HydrophobicContact CD2-CZ3 4.25Å; Y79-W107 HydrophobicContact CE1-CZ3 4Å; Y79-W107 HydrophobicContact CG-CE3 4.37Å; Y79-W107 AromaticContact CG-CZ3 3.84Å; Y79-W107 HydrophobicContact CG-CZ3 3.84Å; F91-W107 HydrophobicContact CD1-CB 3.78Å; F91-W107 HydrophobicContact CD1-CG 4.24Å; F91-W107 HydrophobicContact CD2-CB 3.68Å; F91-W107 HydrophobicContact CE1-CB 3.69Å; F91-W107 AromaticContact CE1-CD1 3.99Å; F91-W107 HydrophobicContact CE1-CD2 4.16Å; F91-W107 AromaticContact CE1-CG 3.68Å; F91-W107 HydrophobicContact CE1-CG 3.68Å; F91-W107 HydrophobicContact CE2-CB 3.6Å; F91-W107 HydrophobicContact CE2-CD2 4.18Å; F91-W107 HydrophobicContact CE2-CE3 4.02Å; F91-W107 HydrophobicContact CE2-CG 4.05Å; F91-W107 HydrophobicContact CG-CB 3.77Å; F91-W107 HydrophobicContact CZ-CB 3.58Å; F91-W107 AromaticContact CZ-CD2 3.63Å; F91-W107 HydrophobicContact CZ-CD2 3.63Å; F91-W107 AromaticContact CZ-CE3 3.78Å; F91-W107 HydrophobicContact CZ-CE3 3.78Å; F91-W107 AromaticContact CZ-CG 3.55Å; F91-W107 HydrophobicContact CZ-CG 3.55Å; S103-W107 PolarHBondContact O-N 3.45Å; S103-W107 VanDerWaalsContact O-N 3.12Å; F104-W107 PolarHBondContact O-N 2.84Å; W107-R110 PolarHBondContact O-N 3.3Å; W107-C111 PolarHBondContact O-N 2.9Å; W107-C111 PolarHBondContact O-SG 3.43Å |
| 108 | I | 95.2 | Very high | 88 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.077 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.9 | -51.6 | 174.8 | -72.5 | 165.9 | 0 | 0 | 0 | 110.3 | F91 Q95 F104 E105 R110 C111 E112 | F91-I108 HydrophobicContact CB-CD1 4.3Å; F91-I108 HydrophobicContact CB-CG1 3.6Å; Q95-I108 HydrophobicContact CB-CD1 4.37Å; Q95-I108 VanDerWaalsContact OE1-CD1 3.24Å; F104-I108 WeakPolarHBondContact O-CB 3.38Å; F104-I108 WeakPolarHBondContact O-CG1 3.18Å; F104-I108 PolarHBondContact O-N 3.24Å; E105-I108 PolarHBondContact O-N 3.2Å; I108-R110 VanDerWaalsContact C-N 3.29Å; I108-R110 PolarHBondContact O-N 3.36Å; I108-C111 WeakPolarHBondContact O-CB 3.45Å; I108-C111 PolarHBondContact O-N 3.45Å; I108-C111 VanDerWaalsContact O-N 3.1Å; I108-E112 WeakPolarHBondContact O-CG 3.15Å; I108-E112 PolarHBondContact O-N 3.3Å |
| 109 | K | 94.4 | Very high | 85.8 | Confident | 105 Ų | 105 | 73.7 Ų | 73.7 | 46% | 0.457 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 175.9 | -77.3 | 174.8 | 171.6 | 167.5 | 0 | 111.7 | E105 C111 E112 E113 | E105-K109 HydrophobicContact CG-CD 4.49Å; E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 3.12Å; E105-K109 WeakPolarHBondContact OE1-CE 3.21Å; E105-K109 IonicContact OE1-NZ 3.36Å; E105-K109 PolarHBondContact OE1-NZ 3.04Å; K109-C111 VanDerWaalsContact C-N 3.33Å; K109-C111 PolarHBondContact O-N 3.1Å; K109-E112 WeakPolarHBondContact O-CB 3.37Å; K109-E112 PolarHBondContact O-N 2.86Å; K109-E113 WeakPolarHBondContact O-CG 3.19Å; K109-E113 PolarHBondContact O-N 3.1Å |
| 110 | R | 93.3 | Very high | 83.8 | Confident | 124 Ų | 124 | 75.3 Ų | 75.3 | 47% | 0.468 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 177.3 | -166 | 179.5 | -176.7 | 114.7 | 5.9 | 112.1 | Y79 V106 W107 I108 M114 | Y79-R110 HydrophobicContact CE2-CG 3.89Å; Y79-R110 PolarHBondContact OH-NE 3.17Å; V106-R110 WeakPolarHBondContact O-CB 3.45Å; V106-R110 PolarHBondContact O-N 3.03Å; W107-R110 PolarHBondContact O-N 3.3Å; I108-R110 VanDerWaalsContact C-N 3.29Å; I108-R110 PolarHBondContact O-N 3.36Å; R110-M114 WeakPolarHBondContact O-CG 3.08Å; R110-M114 PolarHBondContact O-N 2.91Å; R110-M114 VanDerWaalsContact O-N 3.1Å |
| 111 | C | 92.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 173 | -77.5 | 0 | 0 | 0 | 0 | 111.7 | A87 H88 W107 I108 K109 M114 M115 | A87-C111 VanDerWaalsContact CB-SG 3.59Å; H88-C111 HydrophobicContact CB-CB 3.88Å; W107-C111 PolarHBondContact O-N 2.9Å; W107-C111 PolarHBondContact O-SG 3.43Å; I108-C111 WeakPolarHBondContact O-CB 3.45Å; I108-C111 PolarHBondContact O-N 3.45Å; I108-C111 VanDerWaalsContact O-N 3.1Å; K109-C111 VanDerWaalsContact C-N 3.33Å; K109-C111 PolarHBondContact O-N 3.1Å; C111-M114 PolarHBondContact O-N 3.21Å; C111-M115 HydrophobicContact CB-CE 4.37Å; C111-M115 WeakPolarHBondContact O-CB 3.44Å; C111-M115 VanDerWaalsContact O-CG 3.27Å; C111-M115 WeakPolarHBondContact O-CG 3.3Å; C111-M115 PolarHBondContact O-N 3.45Å |
| 112 | E | 91.8 | Very high | 79.1 | Confident | 96 Ų | 96 | 77.2 Ų | 77.2 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.4 | -71.3 | 170.2 | 176.4 | 0 | 0 | 112.4 | H88 I108 K109 M115 G116 | H88-E112 IonicContact CD2-OE1 3.8Å; H88-E112 IonicContact CE1-OE1 3.45Å; H88-E112 IonicContact NE2-OE1 3.13Å; H88-E112 PolarHBondContact NE2-OE1 3.37Å; I108-E112 WeakPolarHBondContact O-CG 3.15Å; I108-E112 PolarHBondContact O-N 3.3Å; K109-E112 WeakPolarHBondContact O-CB 3.37Å; K109-E112 PolarHBondContact O-N 2.86Å; E112-M115 HydrophobicContact CG-CE 4.13Å; E112-M115 PolarHBondContact O-N 2.72Å; E112-G116 PolarHBondContact O-N 3Å |
| 113 | E | 91.8 | Very high | 76.4 | Confident | 131 Ų | 131 | 73.4 Ų | 73.4 | 61% | 0.612 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.4 | -50.2 | 172.8 | -71.7 | 169 | -177.7 | 0 | 0 | 110.7 | K109 M115 G116 T117 | K109-E113 WeakPolarHBondContact O-CG 3.19Å; K109-E113 PolarHBondContact O-N 3.1Å; E113-M115 PolarHBondContact O-N 2.77Å; E113-G116 PolarHBondContact O-N 2.87Å; E113-T117 WeakPolarHBondContact O-CG2 3.27Å; E113-T117 PolarHBondContact O-N 3.38Å |
| 114 | M | 88.6 | Confident | 73.8 | Confident | 53 Ų | 53 | 78.8 Ų | 78.8 | 26% | 0.261 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.5 | -36.5 | -179.8 | -64.9 | -58.5 | -66.1 | 0 | 0 | 112.5 | Y79 Y84 R110 C111 T117 Q118 | Y79-M114 HydrophobicContact CE2-CB 4.49Å; Y79-M114 HydrophobicContact CE2-CG 3.72Å; Y84-M114 HydrophobicContact CD1-CB 3.77Å; Y84-M114 HydrophobicContact CD1-CG 4.31Å; Y84-M114 HydrophobicContact CD2-CB 3.76Å; Y84-M114 HydrophobicContact CE1-CB 3.84Å; Y84-M114 HydrophobicContact CE1-CE 4.1Å; Y84-M114 HydrophobicContact CE1-CG 4.06Å; Y84-M114 HydrophobicContact CE2-CB 3.84Å; Y84-M114 HydrophobicContact CE2-CE 4.12Å; Y84-M114 HydrophobicContact CG-CB 3.74Å; Y84-M114 WeakPolarHBondContact OH-CE 3.29Å; R110-M114 WeakPolarHBondContact O-CG 3.08Å; R110-M114 PolarHBondContact O-N 2.91Å; R110-M114 VanDerWaalsContact O-N 3.1Å; C111-M114 PolarHBondContact O-N 3.21Å; M114-T117 WeakPolarHBondContact CA-OG1 3.48Å; M114-T117 PolarHBondContact O-N 3.17Å; M114-T117 PolarHBondContact O-OG1 3.11Å; M114-Q118 PolarHBondContact O-N 3.09Å |
| 115 | M | 85.8 | Confident | 71.4 | Confident | 33 Ų | 33 | 83.2 Ų | 83.2 | 16% | 0.163 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 171.7 | -74.4 | -174.9 | -61.7 | 0 | 0 | 110.6 | E85 H88 C111 E112 E113 T117 Q118 T119 | E85-M115 HydrophobicContact CB-SD 4.28Å; E85-M115 HydrophobicContact CG-SD 3.76Å; H88-M115 HydrophobicContact CB-CE 3.73Å; H88-M115 HydrophobicContact CB-SD 4.38Å; C111-M115 HydrophobicContact CB-CE 4.37Å; C111-M115 WeakPolarHBondContact O-CB 3.44Å; C111-M115 VanDerWaalsContact O-CG 3.27Å; C111-M115 WeakPolarHBondContact O-CG 3.3Å; C111-M115 PolarHBondContact O-N 3.45Å; E112-M115 HydrophobicContact CG-CE 4.13Å; E112-M115 PolarHBondContact O-N 2.72Å; E113-M115 PolarHBondContact O-N 2.77Å; M115-T117 VanDerWaalsContact C-N 3.26Å; M115-T117 PolarHBondContact O-N 3.19Å; M115-Q118 CarbonylContact O-C 3.41Å; M115-Q118 WeakPolarHBondContact O-CA 3.33Å; M115-Q118 WeakPolarHBondContact O-CB 3.49Å; M115-Q118 PolarHBondContact O-N 3.13Å; M115-T119 WeakPolarHBondContact O-CB 3.21Å; M115-T119 PolarHBondContact O-N 2.9Å; M115-T119 PolarHBondContact O-OG1 2.95Å |
| 116 | G | 76.8 | Confident | 68.9 | Low | 35 Ų | 35 | 84.5 Ų | 84.5 | 36% | 0.361 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.2 | -40.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E112 E113 T119 Q120 | E112-G116 PolarHBondContact O-N 3Å; E113-G116 PolarHBondContact O-N 2.87Å; G116-T119 PolarHBondContact O-N 2.68Å; G116-Q120 VanDerWaalsContact O-CB 3.29Å; G116-Q120 WeakPolarHBondContact O-CB 3.37Å; G116-Q120 WeakPolarHBondContact O-CG 3.39Å; G116-Q120 PolarHBondContact O-N 2.9Å |
| 117 | T | 68.1 | Low | 66 | Low | 69 Ų | 69 | 86.8 Ų | 86.8 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.3 | -25.8 | 172.3 | 67.6 | 0 | 0 | 0 | 0 | 114 | E113 M114 M115 N121 | E113-T117 WeakPolarHBondContact O-CG2 3.27Å; E113-T117 PolarHBondContact O-N 3.38Å; M114-T117 WeakPolarHBondContact CA-OG1 3.48Å; M114-T117 PolarHBondContact O-N 3.17Å; M114-T117 PolarHBondContact O-OG1 3.11Å; M115-T117 VanDerWaalsContact C-N 3.26Å; M115-T117 PolarHBondContact O-N 3.19Å; T117-N121 WeakPolarHBondContact O-CB 3.21Å; T117-N121 PolarHBondContact O-N 3.23Å; T117-N121 PolarHBondContact O-ND2 3.14Å |
| 118 | Q | 56.3 | Low | 63 | Low | 83 Ų | 83 | 89.5 Ų | 89.5 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -81 | -33.5 | 172.6 | -93.8 | -171 | -11.6 | 0 | 0 | 112.8 | Y84 M114 M115 N121 G122 | Y84-Q118 VanDerWaalsContact CD2-CD 3.44Å; Y84-Q118 HydrophobicContact CD2-CG 4.16Å; Y84-Q118 HydrophobicContact CE2-CG 4.11Å; M114-Q118 PolarHBondContact O-N 3.09Å; M115-Q118 CarbonylContact O-C 3.41Å; M115-Q118 WeakPolarHBondContact O-CA 3.33Å; M115-Q118 WeakPolarHBondContact O-CB 3.49Å; M115-Q118 PolarHBondContact O-N 3.13Å; Q118-N121 CarbonylContact O-C 3.16Å; Q118-N121 WeakPolarHBondContact O-CA 3.45Å; Q118-N121 PolarHBondContact O-N 3.47Å; Q118-N121 VanDerWaalsContact O-N 3.17Å; Q118-G122 VanDerWaalsContact O-CA 3.23Å; Q118-G122 WeakPolarHBondContact O-CA 3.33Å; Q118-G122 PolarHBondContact O-N 3.06Å |
| 119 | T | 44.8 | Very low | 60.5 | Low | 74 Ų | 74 | 93.8 Ų | 93.8 | 45% | 0.454 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -76.2 | -37.4 | 176.4 | -46.5 | 0 | 0 | 0 | 0 | 109.5 | M115 G116 N121 G122 S123 | M115-T119 WeakPolarHBondContact O-CB 3.21Å; M115-T119 PolarHBondContact O-N 2.9Å; M115-T119 PolarHBondContact O-OG1 2.95Å; G116-T119 PolarHBondContact O-N 2.68Å; T119-N121 PolarHBondContact O-N 3.09Å; T119-G122 CarbonylContact O-C 3.52Å; T119-G122 PolarHBondContact O-N 3.34Å; T119-S123 WeakPolarHBondContact O-CB 3.43Å; T119-S123 PolarHBondContact O-N 2.8Å; T119-S123 PolarHBondContact O-OG 2.65Å |
| 120 | Q | 44.7 | Very low | 57.8 | Low | 169 Ų | 169 | 91.7 Ų | 91.7 | 79% | 0.79 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -20.1 | 165.7 | -67.3 | -94.5 | -24.4 | 0 | 0 | 112.6 | G116 | G116-Q120 VanDerWaalsContact O-CB 3.29Å; G116-Q120 WeakPolarHBondContact O-CB 3.37Å; G116-Q120 WeakPolarHBondContact O-CG 3.39Å; G116-Q120 PolarHBondContact O-N 2.9Å |
| 121 | N | 43.1 | Very low | 55.4 | Low | 143 Ų | 143 | 90.6 Ų | 90.6 | 77% | 0.765 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 2.2 | 170 | -82.2 | -51.1 | 0 | 0 | 0 | 114.1 | T117 Q118 T119 | T117-N121 WeakPolarHBondContact O-CB 3.21Å; T117-N121 PolarHBondContact O-N 3.23Å; T117-N121 PolarHBondContact O-ND2 3.14Å; Q118-N121 CarbonylContact O-C 3.16Å; Q118-N121 WeakPolarHBondContact O-CA 3.45Å; Q118-N121 PolarHBondContact O-N 3.47Å; Q118-N121 VanDerWaalsContact O-N 3.17Å; T119-N121 PolarHBondContact O-N 3.09Å |
| 122 | G | 37.8 | Very low | 53.6 | Low | 46 Ų | 46 | 96.7 Ų | 96.7 | 47% | 0.474 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -150.2 | -4.9 | -161.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q118 T119 D124 | Q118-G122 VanDerWaalsContact O-CA 3.23Å; Q118-G122 WeakPolarHBondContact O-CA 3.33Å; Q118-G122 PolarHBondContact O-N 3.06Å; T119-G122 CarbonylContact O-C 3.52Å; T119-G122 PolarHBondContact O-N 3.34Å; G122-D124 VanDerWaalsContact C-N 3.33Å; G122-D124 PolarHBondContact O-N 2.6Å |
| 123 | S | 34.3 | Very low | 52.2 | Low | 77 Ų | 77 | 94.1 Ų | 94.1 | 54% | 0.538 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -98.8 | 54.5 | 168.7 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | T119 | T119-S123 WeakPolarHBondContact O-CB 3.43Å; T119-S123 PolarHBondContact O-N 2.8Å; T119-S123 PolarHBondContact O-OG 2.65Å |
| 124 | D | 36.8 | Very low | 51.5 | Low | 168 Ų | 168 | 95.8 Ų | 95.8 | 90% | 0.898 | 60% | 0.598 | S | S | * | * | trans | -136.4 | 48 | 148.2 | -98.5 | -23 | 0 | 0 | 0 | 108.7 | G122 | G122-D124 VanDerWaalsContact C-N 3.33Å; G122-D124 PolarHBondContact O-N 2.6Å | ||
| 125 | A | 41.4 | Very low | 51.2 | Low | 95 Ų | 95 | 97 Ų | 97 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | trans | -116.1 | 59.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 126 | S | 39.3 | Very low | 51.3 | Low | 109 Ų | 109 | 100.7 Ų | 100.7 | 76% | 0.762 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -151.6 | 61.2 | 148 | 72 | 0 | 0 | 0 | 0 | 112.7 | ||
| 127 | T | 33.5 | Very low | 52.1 | Low | 141 Ų | 141 | 102.5 Ų | 102.5 | 87% | 0.865 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -161.7 | 124.5 | 134.3 | 6.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 128 | S | 31.8 | Very low | 53.1 | Low | 114 Ų | 114 | 104.5 Ų | 104.5 | 80% | 0.797 | 62% | 0.62 | S | S | * | * | trans | 58.2 | 103.8 | 153.2 | -168.4 | 0 | 0 | 0 | 0 | 119.4 | A130 | S128-A130 PolarHBondContact O-N 3.13Š| ||
| 129 | A | 44.1 | Very low | 54.7 | Low | 104 Ų | 104 | 102.9 Ų | 102.9 | 86% | 0.86 | 61% | 0.612 | S | S | * | * | trans | -38.1 | 115.5 | 162 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 130 | A | 37.1 | Very low | 56.8 | Low | 62 Ų | 62 | 102.3 Ų | 102.3 | 51% | 0.512 | 61% | 0.609 | S | S | . | * | trans | -157.5 | 154.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S128 E177 | S128-A130 PolarHBondContact O-N 3.13Å; A130-E177 WeakPolarHBondContact CB-OE1 3.02Å | ||
| 131 | P | 43.8 | Very low | 58.7 | Low | 101 Ų | 101 | 101.5 Ų | 101.5 | 66% | 0.656 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -65 | 142.7 | -174.1 | 26.9 | -32.8 | 0 | 0 | 0 | 111.6 | V133 | P131-V133 PolarHBondContact O-N 3.32Š|
| 132 | P | 53.8 | Low | 60.8 | Low | 127 Ų | 127 | 97 Ų | 97 | 83% | 0.825 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 125.5 | -176.8 | 24.2 | -32.6 | 0 | 0 | 0 | 110.3 | K134 | P132-K134 PolarHBondContact O-N 3Å; P132-K134 VanDerWaalsContact O-N 3.09Å |
| 133 | V | 63.6 | Low | 63.2 | Low | 42 Ų | 42 | 97.9 Ų | 97.9 | 26% | 0.255 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 117.7 | 173.6 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | P131 H135 V148 M149 C179 | P131-V133 PolarHBondContact O-N 3.32Å; V133-H135 PolarHBondContact O-N 3.29Å; V133-H135 VanDerWaalsContact O-N 3.11Å; V133-V148 HydrophobicContact CG1-CG1 3.62Å; V133-M149 WeakPolarHBondContact CG1-O 3.48Å; V133-C179 HydrophobicContact CB-CB 4.39Å; V133-C179 HydrophobicContact CG2-CB 3.81Å |
| 134 | K | 75.1 | Confident | 66 | Low | 167 Ų | 167 | 94.2 Ų | 94.2 | 73% | 0.726 | 56% | 0.556 | S | S | * | * | trans | -62.5 | 115.7 | -177.9 | -172.7 | 177.8 | -179.8 | 178.1 | 0 | 109.5 | P132 M149 | P132-K134 PolarHBondContact O-N 3Å; P132-K134 VanDerWaalsContact O-N 3.09Å; K134-M149 WeakPolarHBondContact O-CB 3.21Å; K134-M149 WeakPolarHBondContact O-CG 3.44Å; K134-M149 PolarHBondContact O-N 3.16Å; K134-M149 VanDerWaalsContact O-N 3.13Å | ||
| 135 | H | 83.5 | Confident | 68.7 | Low | 78 Ų | 78 | 86.3 Ų | 86.3 | 36% | 0.361 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 156.4 | 170.3 | 64.7 | -88.7 | 0 | 0 | 0 | 110.2 | V133 T147 V148 F183 | V133-H135 PolarHBondContact O-N 3.29Å; V133-H135 VanDerWaalsContact O-N 3.11Å; H135-T147 CarbonylContact C-O 3.53Å; H135-T147 WeakPolarHBondContact CA-O 3.2Å; H135-V148 HydrophobicContact CB-CG2 4.33Å; H135-F183 AromaticContact CD2-CZ 3.72Å; H135-F183 AromaticContact NE2-CE1 3.7Å; H135-F183 AromaticContact NE2-CZ 3.71Å |
| 136 | D | 87.3 | Confident | 71.1 | Confident | 111 Ų | 111 | 81.8 Ų | 81.8 | 59% | 0.594 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157.6 | 177.3 | -166.9 | 10 | 0 | 0 | 0 | 109 | T147 | D136-T147 PolarHBondContact N-O 3.44Å; D136-T147 PolarHBondContact O-N 3.06Å |
| 137 | W | 92.9 | Very high | 73.5 | Confident | 73 Ų | 73 | 77.3 Ų | 77.3 | 28% | 0.277 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.3 | 178.4 | 76.8 | -81.7 | 0 | 0 | 0 | 112.2 | Q139 V144 I145 V146 W215 L218 | W137-Q139 HydrophobicContact CZ3-CB 4.39Å; W137-V144 HydrophobicContact CE3-CG1 4.05Å; W137-V144 HydrophobicContact CZ3-CG1 4.49Å; W137-I145 CarbonylContact C-O 3.52Å; W137-I145 WeakPolarHBondContact CA-O 3.37Å; W137-I145 WeakPolarHBondContact CB-O 3.49Å; W137-V146 HydrophobicContact CB-CG2 4.08Å; W137-W215 HydrophobicContact CH2-CB 4.39Å; W137-W215 HydrophobicContact CZ3-CB 4.41Å; W137-L218 HydrophobicContact CB-CD2 4.17Å; W137-L218 HydrophobicContact CD2-CB 3.88Å; W137-L218 HydrophobicContact CD2-CD1 4.25Å; W137-L218 HydrophobicContact CD2-CG 4.47Å; W137-L218 HydrophobicContact CE3-CB 4.41Å; W137-L218 HydrophobicContact CE3-CD1 4.23Å; W137-L218 HydrophobicContact CG-CB 4.11Å; W137-L218 HydrophobicContact CG-CD1 4.39Å; W137-L218 HydrophobicContact CG-CD2 4.03Å; W137-L218 HydrophobicContact CG-CG 4.41Å; W137-L218 HydrophobicContact CZ2-CB 4.21Å |
| 138 | Y | 89.1 | Confident | 76.2 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 43% | 0.431 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 171.5 | 172.4 | 67 | -83.2 | 0 | 0 | 0 | 109.4 | I145 | Y138-I145 HydrophobicContact CD1-CB 4.19Å; Y138-I145 HydrophobicContact CD1-CG2 4.44Å; Y138-I145 HydrophobicContact CD2-CB 4.45Å; Y138-I145 HydrophobicContact CD2-CD1 4.12Å; Y138-I145 HydrophobicContact CE1-CB 3.76Å; Y138-I145 HydrophobicContact CE1-CG2 3.65Å; Y138-I145 HydrophobicContact CE2-CB 4.05Å; Y138-I145 HydrophobicContact CE2-CD1 3.73Å; Y138-I145 HydrophobicContact CE2-CG1 4.08Å; Y138-I145 PolarHBondContact N-O 2.85Å; Y138-I145 PolarHBondContact O-N 2.94Å |
| 139 | Q | 91.4 | Very high | 78.6 | Confident | 49 Ų | 49 | 70.1 Ų | 70.1 | 23% | 0.229 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 157 | -179.2 | 68.9 | -173.6 | -58.2 | 0 | 0 | 111.5 | W137 Q143 V144 W215 | W137-Q139 HydrophobicContact CZ3-CB 4.39Å; Q139-Q143 CarbonylContact C-O 3.54Å; Q139-Q143 VanDerWaalsContact CA-O 3.31Å; Q139-Q143 WeakPolarHBondContact CA-O 3.41Å; Q139-Q143 WeakPolarHBondContact CB-O 3.49Å; Q139-V144 HydrophobicContact CB-CG2 4.3Å; Q139-W215 PolarHBondContact NE2-O 3.1Å |
| 140 | T | 87.8 | Confident | 80.4 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 39% | 0.387 | 35% | 0.351 | S | S | . | . | trans | -111.4 | -178.9 | 163.7 | 65.1 | 0 | 0 | 0 | 0 | 108.5 | S142 Q143 I145 K209 | T140-S142 PolarHBondContact O-N 3.4Å; T140-S142 VanDerWaalsContact O-N 3.11Å; T140-S142 PolarHBondContact OG1-N 2.9Å; T140-Q143 PolarHBondContact N-O 3.28Å; T140-Q143 PolarHBondContact OG1-N 3.39Å; T140-Q143 PolarHBondContact OG1-O 3.37Å; T140-I145 HydrophobicContact CG2-CD1 4.27Å; T140-K209 WeakPolarHBondContact O-CE 3.47Å; T140-K209 PolarHBondContact O-NZ 3.2Å | ||
| 141 | D | 84.8 | Confident | 82.4 | Confident | 151 Ų | 151 | 69.8 Ų | 69.8 | 81% | 0.807 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -58.9 | -25.9 | 176.2 | -59.6 | -27 | 0 | 0 | 0 | 112.7 | ||
| 142 | S | 86.6 | Confident | 83.6 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -123.8 | -5.2 | -172.8 | 82.1 | 0 | 0 | 0 | 0 | 115.7 | T140 K208 K209 | T140-S142 PolarHBondContact O-N 3.4Å; T140-S142 VanDerWaalsContact O-N 3.11Å; T140-S142 PolarHBondContact OG1-N 2.9Å; S142-K208 WeakPolarHBondContact O-CD 3.41Å; S142-K208 PolarHBondContact OG-NZ 3.49Å; S142-K209 PolarHBondContact O-N 2.88Å |
| 143 | Q | 89.5 | Confident | 84.8 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.3 | -176.1 | -63.3 | 179.6 | -7.9 | 0 | 0 | 111.9 | Q139 T140 I145 M207 K208 | Q139-Q143 CarbonylContact C-O 3.54Å; Q139-Q143 VanDerWaalsContact CA-O 3.31Å; Q139-Q143 WeakPolarHBondContact CA-O 3.41Å; Q139-Q143 WeakPolarHBondContact CB-O 3.49Å; T140-Q143 PolarHBondContact N-O 3.28Å; T140-Q143 PolarHBondContact OG1-N 3.39Å; T140-Q143 PolarHBondContact OG1-O 3.37Å; Q143-I145 HydrophobicContact CB-CD1 3.97Å; Q143-M207 CarbonylContact C-O 3.52Å; Q143-M207 WeakPolarHBondContact CA-O 3.41Å; Q143-K208 HydrophobicContact CG-CD 4.44Å |
| 144 | V | 92.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.6 | 166.9 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | W137 Q139 M207 K209 W215 L218 | W137-V144 HydrophobicContact CE3-CG1 4.05Å; W137-V144 HydrophobicContact CZ3-CG1 4.49Å; Q139-V144 HydrophobicContact CB-CG2 4.3Å; V144-M207 HydrophobicContact CB-CE 4.2Å; V144-M207 HydrophobicContact CG1-CE 3.9Å; V144-M207 PolarHBondContact N-O 2.85Å; V144-M207 PolarHBondContact O-N 3Å; V144-K209 HydrophobicContact CG2-CD 4.3Å; V144-K209 VanDerWaalsContact CG2-CE 3.46Å; V144-K209 HydrophobicContact CG2-CG 3.91Å; V144-W215 HydrophobicContact CG1-CE3 4.41Å; V144-W215 HydrophobicContact CG1-CZ3 4.41Å; V144-W215 HydrophobicContact CG2-CD2 3.65Å; V144-W215 HydrophobicContact CG2-CE3 3.88Å; V144-W215 HydrophobicContact CG2-CG 4.2Å; V144-W215 HydrophobicContact CG2-CH2 4.07Å; V144-W215 HydrophobicContact CG2-CZ2 3.87Å; V144-W215 HydrophobicContact CG2-CZ3 4.08Å; V144-L218 HydrophobicContact CG1-CD1 3.57Å |
| 145 | I | 93.5 | Very high | 85.3 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.4 | -174 | -56.2 | 86.6 | 0 | 0 | 0 | 109 | W137 Y138 T140 Q143 E204 I205 K206 | W137-I145 CarbonylContact C-O 3.52Å; W137-I145 WeakPolarHBondContact CA-O 3.37Å; W137-I145 WeakPolarHBondContact CB-O 3.49Å; Y138-I145 HydrophobicContact CD1-CB 4.19Å; Y138-I145 HydrophobicContact CD1-CG2 4.44Å; Y138-I145 HydrophobicContact CD2-CB 4.45Å; Y138-I145 HydrophobicContact CD2-CD1 4.12Å; Y138-I145 HydrophobicContact CE1-CB 3.76Å; Y138-I145 HydrophobicContact CE1-CG2 3.65Å; Y138-I145 HydrophobicContact CE2-CB 4.05Å; Y138-I145 HydrophobicContact CE2-CD1 3.73Å; Y138-I145 HydrophobicContact CE2-CG1 4.08Å; Y138-I145 PolarHBondContact N-O 2.85Å; Y138-I145 PolarHBondContact O-N 2.94Å; T140-I145 HydrophobicContact CG2-CD1 4.27Å; Q143-I145 HydrophobicContact CB-CD1 3.97Å; I145-E204 HydrophobicContact CG2-CG 3.59Å; I145-I205 CarbonylContact C-O 3.5Å; I145-I205 VanDerWaalsContact CA-O 3.29Å; I145-I205 WeakPolarHBondContact CA-O 3.49Å; I145-K206 HydrophobicContact CG1-CG 4.01Å; I145-K206 HydrophobicContact CG2-CG 4.23Å |
| 146 | V | 92.4 | Very high | 85 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.3 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | W137 V148 L167 F183 I205 M207 L218 | W137-V146 HydrophobicContact CB-CG2 4.08Å; V146-V148 HydrophobicContact CG1-CG2 4.38Å; V146-L167 HydrophobicContact CG2-CD2 4.26Å; V146-F183 HydrophobicContact CG1-CE2 3.98Å; V146-F183 HydrophobicContact CG1-CZ 4.41Å; V146-I205 HydrophobicContact CB-CB 4.39Å; V146-I205 PolarHBondContact N-O 3.36Å; V146-I205 PolarHBondContact O-N 3.2Å; V146-M207 HydrophobicContact CG2-CE 3.67Å; V146-L218 HydrophobicContact CG2-CD1 4.01Å; V146-L218 HydrophobicContact CG2-CD2 3.81Å |
| 147 | T | 89.8 | Confident | 84.5 | Confident | 15 Ų | 15 | 66.2 Ų | 66.2 | 9% | 0.092 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.6 | 179.1 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | H135 D136 M149 K202 V203 | H135-T147 CarbonylContact C-O 3.53Å; H135-T147 WeakPolarHBondContact CA-O 3.2Å; D136-T147 PolarHBondContact N-O 3.44Å; D136-T147 PolarHBondContact O-N 3.06Å; T147-M149 HydrophobicContact CG2-SD 4.34Å; T147-K202 HydrophobicContact CG2-CB 4.03Å; T147-K202 HydrophobicContact CG2-CD 3.7Å; T147-K202 HydrophobicContact CG2-CG 4.32Å; T147-V203 WeakPolarHBondContact CA-O 3.38Å |
| 148 | V | 88.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.2 | 177.8 | -170.9 | 0 | 0 | 0 | 0 | 108.6 | V133 H135 V146 A150 I171 L181 K202 V203 | V133-V148 HydrophobicContact CG1-CG1 3.62Å; H135-V148 HydrophobicContact CB-CG2 4.33Å; V146-V148 HydrophobicContact CG1-CG2 4.38Å; V148-A150 PolarHBondContact O-N 3.23Å; V148-I171 HydrophobicContact CB-CD1 3.9Å; V148-I171 HydrophobicContact CG1-CD1 3.7Å; V148-I171 HydrophobicContact CG2-CD1 4.07Å; V148-L181 HydrophobicContact CB-CD1 4.2Å; V148-L181 HydrophobicContact CG1-CD1 3.8Å; V148-L181 HydrophobicContact CG2-CD1 3.3Å; V148-K202 CarbonylContact O-C 3.46Å; V148-K202 WeakPolarHBondContact O-CA 3.42Å; V148-K202 WeakPolarHBondContact O-CB 3.5Å; V148-V203 HydrophobicContact CB-CB 4.43Å; V148-V203 PolarHBondContact N-O 3.36Å; V148-V203 PolarHBondContact O-N 3.45Å |
| 149 | M | 83.3 | Confident | 84 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 51% | 0.507 | 34% | 0.335 | S | S | . | . | trans | -80.3 | 103.2 | -178.2 | -64 | -60.8 | -64.8 | 0 | 0 | 110.3 | V133 K134 T147 K202 | V133-M149 WeakPolarHBondContact CG1-O 3.48Å; K134-M149 WeakPolarHBondContact O-CB 3.21Å; K134-M149 WeakPolarHBondContact O-CG 3.44Å; K134-M149 PolarHBondContact O-N 3.16Å; K134-M149 VanDerWaalsContact O-N 3.13Å; T147-M149 HydrophobicContact CG2-SD 4.34Å; M149-K202 HydrophobicContact SD-CB 4.11Å | ||
| 150 | A | 82.4 | Confident | 83.9 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | trans | -141.5 | 128 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V148 V153 I171 V173 T201 K202 | V148-A150 PolarHBondContact O-N 3.23Å; A150-V153 HydrophobicContact CB-CG2 3.46Å; A150-V153 VanDerWaalsContact CB-CG2 3.46Å; A150-I171 HydrophobicContact CB-CG2 4.2Å; A150-V173 HydrophobicContact CB-CG2 4.34Å; A150-T201 PolarHBondContact N-O 3.35Å; A150-T201 CarbonylContact O-C 3.43Å; A150-K202 PolarHBondContact O-N 2.89Å | ||
| 151 | K | 77.6 | Confident | 83.9 | Confident | 153 Ų | 153 | 65.4 Ų | 65.4 | 67% | 0.665 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -97.7 | 144.3 | 179.8 | -67.9 | -179.2 | -179.4 | 176.1 | 0 | 110.4 | V153 V173 | K151-V153 PolarHBondContact O-N 3.41Å; K151-V173 WeakPolarHBondContact O-CG1 3.43Å |
| 152 | N | 70.3 | Confident | 84.1 | Confident | 128 Ų | 128 | 60.1 Ų | 60.1 | 68% | 0.684 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 57.2 | 42.6 | 173.5 | -59.7 | -26.9 | 0 | 0 | 0 | 114.1 | A174 S200 | N152-A174 HydrophobicContact CB-CB 4.33Å; N152-A174 WeakPolarHBondContact O-CB 3.41Å; N152-S200 PolarHBondContact N-O 3.47Å |
| 153 | V | 78.6 | Confident | 84.4 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 11% | 0.109 | 30% | 0.304 | C | S | . | . | trans | -79.4 | 124.2 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | A150 K151 V158 I171 I198 V203 | A150-V153 HydrophobicContact CB-CG2 3.46Å; A150-V153 VanDerWaalsContact CB-CG2 3.46Å; K151-V153 PolarHBondContact O-N 3.41Å; V153-V158 HydrophobicContact CG1-CG2 3.21Å; V153-I171 HydrophobicContact CG1-CG2 3.94Å; V153-I171 HydrophobicContact CG2-CG2 3.96Å; V153-I198 HydrophobicContact CB-CG2 4.04Å; V153-I198 HydrophobicContact CG1-CG2 4.17Å; V153-V203 HydrophobicContact CG1-CG2 4.49Å; V153-V203 HydrophobicContact CG2-CG2 4.34Å | ||
| 154 | P | 77.9 | Confident | 84.3 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | trans | -69.7 | 150.1 | 175.7 | 27.8 | -29.3 | 0 | 0 | 0 | 110.7 | D156 G157 Q172 | P154-D156 PolarHBondContact O-N 3.31Å; P154-G157 PolarHBondContact O-N 3.11Å; P154-Q172 WeakPolarHBondContact CD-O 3.27Å | ||
| 155 | K | 71.6 | Confident | 84.1 | Confident | 180 Ų | 180 | 67 Ų | 67 | 78% | 0.783 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -30.8 | -176.6 | -69.5 | -177.4 | 179.2 | 178.3 | 0 | 113.2 | I198 | K155-I198 WeakPolarHBondContact O-CD1 3.37Š|
| 156 | D | 77.3 | Confident | 83.9 | Confident | 159 Ų | 159 | 70 Ų | 70 | 85% | 0.85 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -6.6 | 178.8 | -56.7 | -74.4 | 0 | 0 | 0 | 113.4 | P154 V158 | P154-D156 PolarHBondContact O-N 3.31Å; D156-V158 VanDerWaalsContact C-N 3.33Å |
| 157 | G | 76.9 | Confident | 83.8 | Confident | 5 Ų | 5 | 70 Ų | 70 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -88.9 | 6.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P154 Q172 | P154-G157 PolarHBondContact O-N 3.11Å; G157-Q172 WeakPolarHBondContact O-CB 3.49Å; G157-Q172 PolarHBondContact O-N 3.31Å |
| 158 | V | 85.3 | Confident | 83.8 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 9% | 0.085 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.6 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | V153 D156 V160 Q170 I171 F196 I198 V203 | V153-V158 HydrophobicContact CG1-CG2 3.21Å; D156-V158 VanDerWaalsContact C-N 3.33Å; V158-V160 HydrophobicContact CG1-CG2 3.81Å; V158-Q170 CarbonylContact C-O 3.58Å; V158-Q170 WeakPolarHBondContact CA-O 3.31Å; V158-I171 HydrophobicContact CG1-CG1 4.19Å; V158-I171 HydrophobicContact CG2-CG1 4.42Å; V158-I171 HydrophobicContact CG2-CG2 4.28Å; V158-F196 HydrophobicContact CB-CE2 4.1Å; V158-F196 HydrophobicContact CG1-CD2 3.96Å; V158-F196 HydrophobicContact CG1-CE2 3.74Å; V158-I198 HydrophobicContact CB-CD1 3.77Å; V158-I198 HydrophobicContact CB-CG1 4.19Å; V158-I198 HydrophobicContact CG2-CD1 3.61Å; V158-I198 HydrophobicContact CG2-CG1 3.89Å; V158-V203 HydrophobicContact CG1-CG1 4.22Å; V158-V203 HydrophobicContact CG2-CG2 4.26Å |
| 159 | R | 85.4 | Confident | 83.8 | Confident | 178 Ų | 178 | 70.9 Ų | 70.9 | 67% | 0.672 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 117 | 172.9 | -168.7 | 176.6 | -173.4 | -154.3 | 0.4 | 109.1 | A169 Q170 | R159-A169 CarbonylContact O-C 3.48Å; R159-A169 WeakPolarHBondContact O-CA 3.35Å; R159-Q170 HydrophobicContact CB-CB 4.34Å; R159-Q170 PolarHBondContact N-O 2.98Å; R159-Q170 PolarHBondContact O-N 2.82Å |
| 160 | V | 89.7 | Confident | 84 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 14% | 0.139 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131 | 174.9 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | V158 F162 L167 S168 A169 F196 I205 | V158-V160 HydrophobicContact CG1-CG2 3.81Å; V160-F162 HydrophobicContact CB-CZ 4.38Å; V160-F162 HydrophobicContact CG1-CD1 4.39Å; V160-F162 HydrophobicContact CG1-CE1 3.74Å; V160-F162 HydrophobicContact CG1-CE2 3.97Å; V160-F162 HydrophobicContact CG1-CZ 3.5Å; V160-F162 VanDerWaalsContact CG1-CZ 3.5Å; V160-L167 HydrophobicContact CG1-CD1 3.49Å; V160-L167 VanDerWaalsContact CG1-CD1 3.49Å; V160-S168 CarbonylContact C-O 3.48Å; V160-S168 WeakPolarHBondContact CA-O 3.41Å; V160-A169 HydrophobicContact CG1-CB 4.39Å; V160-A169 HydrophobicContact CG2-CB 4.06Å; V160-F196 HydrophobicContact CB-CB 4.5Å; V160-F196 HydrophobicContact CB-CD1 3.72Å; V160-F196 HydrophobicContact CB-CE1 4.1Å; V160-F196 HydrophobicContact CB-CG 4.1Å; V160-F196 HydrophobicContact CG2-CB 3.99Å; V160-F196 HydrophobicContact CG2-CD1 3.76Å; V160-F196 HydrophobicContact CG2-CD2 3.96Å; V160-F196 HydrophobicContact CG2-CE1 4.19Å; V160-F196 HydrophobicContact CG2-CE2 4.37Å; V160-F196 HydrophobicContact CG2-CG 3.62Å; V160-F196 HydrophobicContact CG2-CZ 4.48Å; V160-I205 HydrophobicContact CG1-CD1 4.39Å; V160-I205 HydrophobicContact CG1-CG2 4.21Å; V160-I205 HydrophobicContact CG2-CD1 4.32Å; V160-I205 HydrophobicContact CG2-CG1 4.47Å |
| 161 | S | 87.1 | Confident | 84.2 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 43% | 0.434 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.3 | 172.1 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | S168 | S161-S168 PolarHBondContact N-O 3.2Å; S161-S168 PolarHBondContact O-N 3.25Å; S161-S168 WeakPolarHBondContact OG-CB 3.49Å |
| 162 | F | 90.4 | Very high | 84.3 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 18% | 0.18 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132 | 178.7 | -53.2 | -78.1 | 0 | 0 | 0 | 108.9 | V160 L167 I189 P191 I205 M207 | V160-F162 HydrophobicContact CB-CZ 4.38Å; V160-F162 HydrophobicContact CG1-CD1 4.39Å; V160-F162 HydrophobicContact CG1-CE1 3.74Å; V160-F162 HydrophobicContact CG1-CE2 3.97Å; V160-F162 HydrophobicContact CG1-CZ 3.5Å; V160-F162 VanDerWaalsContact CG1-CZ 3.5Å; F162-L167 HydrophobicContact CD1-CD1 3.77Å; F162-L167 HydrophobicContact CE1-CD1 3.64Å; F162-I189 HydrophobicContact CB-CD1 4.29Å; F162-I189 HydrophobicContact CD1-CD1 4.17Å; F162-P191 HydrophobicContact CB-CB 3.87Å; F162-I205 HydrophobicContact CE1-CG2 3.55Å; F162-I205 HydrophobicContact CZ-CG2 3.88Å; F162-M207 HydrophobicContact CD1-CG 4.06Å; F162-M207 HydrophobicContact CE1-CG 3.87Å |
| 163 | T | 91.3 | Very high | 84.6 | Confident | 61 Ų | 61 | 62.6 Ų | 62.6 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | trans | -114.4 | 176.8 | 161.2 | 74.2 | 0 | 0 | 0 | 0 | 108.5 | R165 E166 I189 | T163-R165 PolarHBondContact O-N 2.92Å; T163-E166 PolarHBondContact N-O 3.41Å; T163-E166 WeakPolarHBondContact OG1-CA 3.45Å; T163-E166 WeakPolarHBondContact OG1-CB 3.4Å; T163-E166 PolarHBondContact OG1-N 3.32Å; T163-E166 PolarHBondContact OG1-O 3.48Å; T163-I189 WeakPolarHBondContact O-CG1 3.45Å | ||
| 164 | E | 87.6 | Confident | 83.9 | Confident | 126 Ų | 126 | 65.6 Ų | 65.6 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -58.9 | -30.9 | -179 | -68.1 | -176.2 | 174.2 | 0 | 0 | 112.4 | P188 I189 P191 | E164-P188 CarbonylContact O-C 3.18Å; E164-P188 WeakPolarHBondContact O-CA 3.33Å; E164-I189 PolarHBondContact O-N 3.14Å; E164-P191 HydrophobicContact CG-CG 4.27Å |
| 165 | R | 88.4 | Confident | 83 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 26% | 0.26 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -129.3 | 7 | -178.2 | -74.2 | -174.2 | 172.7 | -87.6 | 6.2 | 114.3 | T163 H184 L185 L186 P188 | T163-R165 PolarHBondContact O-N 2.92Å; R165-H184 CarbonylContact O-C 3.44Å; R165-L185 WeakPolarHBondContact O-CB 3.37Å; R165-L185 PolarHBondContact O-N 3.04Å; R165-L186 PolarHBondContact NH1-O 3.45Å; R165-P188 HydrophobicContact CG-CB 4.47Å |
| 166 | E | 89.8 | Confident | 82.1 | Confident | 66 Ų | 66 | 62 Ų | 62 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145 | -177.9 | -50.3 | 172.1 | 157.2 | 0 | 0 | 111.1 | T163 F183 H184 | T163-E166 PolarHBondContact N-O 3.41Å; T163-E166 WeakPolarHBondContact OG1-CA 3.45Å; T163-E166 WeakPolarHBondContact OG1-CB 3.4Å; T163-E166 PolarHBondContact OG1-N 3.32Å; T163-E166 PolarHBondContact OG1-O 3.48Å; E166-F183 VanDerWaalsContact CA-O 3.31Å; E166-F183 WeakPolarHBondContact CA-O 3.45Å; E166-H184 IonicContact OE1-CE1 3.47Å; E166-H184 PolarHBondContact OE1-CE1 3.41Å; E166-H184 IonicContact OE1-ND1 2.77Å; E166-H184 PolarHBondContact OE1-ND1 2.9Å |
| 167 | L | 91.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.6 | 170.3 | 165.3 | 62.3 | 0 | 0 | 0 | 107.7 | V146 V160 F162 H182 F183 L185 I205 M207 | V146-L167 HydrophobicContact CG2-CD2 4.26Å; V160-L167 HydrophobicContact CG1-CD1 3.49Å; V160-L167 VanDerWaalsContact CG1-CD1 3.49Å; F162-L167 HydrophobicContact CD1-CD1 3.77Å; F162-L167 HydrophobicContact CE1-CD1 3.64Å; L167-H182 CarbonylContact O-C 3.53Å; L167-H182 WeakPolarHBondContact O-CA 3.5Å; L167-F183 HydrophobicContact CB-CB 4.34Å; L167-F183 HydrophobicContact CB-CD2 4.42Å; L167-F183 HydrophobicContact CD2-CD2 3.72Å; L167-F183 HydrophobicContact CD2-CE2 4.32Å; L167-F183 HydrophobicContact CG-CD2 4.08Å; L167-F183 PolarHBondContact N-O 2.91Å; L167-F183 PolarHBondContact O-N 3.08Å; L167-L185 HydrophobicContact CB-CD1 4.5Å; L167-L185 HydrophobicContact CB-CD2 4.39Å; L167-I205 HydrophobicContact CD1-CD1 4.41Å; L167-I205 HydrophobicContact CD1-CG2 3.85Å; L167-I205 HydrophobicContact CD2-CD1 4.26Å; L167-I205 HydrophobicContact CD2-CG2 3.91Å; L167-M207 HydrophobicContact CB-SD 3.94Å; L167-M207 HydrophobicContact CD2-CE 3.84Å; L167-M207 HydrophobicContact CD2-SD 3.68Å; L167-M207 HydrophobicContact CG-SD 4.26Å |
| 168 | S | 88.4 | Confident | 81.1 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.8 | 167.7 | -46.4 | 0 | 0 | 0 | 0 | 110 | V160 S161 L181 H182 | V160-S168 CarbonylContact C-O 3.48Å; V160-S168 WeakPolarHBondContact CA-O 3.41Å; S161-S168 PolarHBondContact N-O 3.2Å; S161-S168 PolarHBondContact O-N 3.25Å; S161-S168 WeakPolarHBondContact OG-CB 3.49Å; S168-L181 CarbonylContact C-O 3.53Å; S168-L181 VanDerWaalsContact CA-O 3.32Å; S168-L181 WeakPolarHBondContact CA-O 3.24Å; S168-H182 PolarHBondContact OG-CE1 2.89Å; S168-H182 PolarHBondContact OG-ND1 3.31Å |
| 169 | A | 89.5 | Confident | 80.7 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 125.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R159 V160 D180 L181 I205 | R159-A169 CarbonylContact O-C 3.48Å; R159-A169 WeakPolarHBondContact O-CA 3.35Å; V160-A169 HydrophobicContact CG1-CB 4.39Å; V160-A169 HydrophobicContact CG2-CB 4.06Å; A169-D180 CarbonylContact O-C 3.58Å; A169-D180 WeakPolarHBondContact O-CA 3.23Å; A169-L181 HydrophobicContact CB-CB 4.43Å; A169-L181 PolarHBondContact N-O 3.24Å; A169-L181 PolarHBondContact O-N 3.49Å; A169-I205 HydrophobicContact CB-CD1 3.7Å |
| 170 | Q | 86.9 | Confident | 80.5 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125 | 173.5 | -45.4 | -167.2 | -75.7 | 0 | 0 | 107.8 | V158 R159 C179 D180 | V158-Q170 CarbonylContact C-O 3.58Å; V158-Q170 WeakPolarHBondContact CA-O 3.31Å; R159-Q170 HydrophobicContact CB-CB 4.34Å; R159-Q170 PolarHBondContact N-O 2.98Å; R159-Q170 PolarHBondContact O-N 2.82Å; Q170-C179 CarbonylContact C-O 2.98Å; Q170-C179 WeakPolarHBondContact CA-O 3.36Å; Q170-D180 WeakPolarHBondContact CB-OD1 3.48Å; Q170-D180 WeakPolarHBondContact CG-OD1 3.49Å; Q170-D180 PolarHBondContact NE2-OD1 2.93Å |
| 171 | I | 87.1 | Confident | 80.2 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 107.1 | -173.3 | -60 | 164 | 0 | 0 | 0 | 108.4 | V148 A150 V153 V158 V173 C179 L181 V203 | V148-I171 HydrophobicContact CB-CD1 3.9Å; V148-I171 HydrophobicContact CG1-CD1 3.7Å; V148-I171 HydrophobicContact CG2-CD1 4.07Å; A150-I171 HydrophobicContact CB-CG2 4.2Å; V153-I171 HydrophobicContact CG1-CG2 3.94Å; V153-I171 HydrophobicContact CG2-CG2 3.96Å; V158-I171 HydrophobicContact CG1-CG1 4.19Å; V158-I171 HydrophobicContact CG2-CG1 4.42Å; V158-I171 HydrophobicContact CG2-CG2 4.28Å; I171-V173 HydrophobicContact CG2-CG2 4.2Å; I171-V173 PolarHBondContact O-N 3.01Å; I171-C179 HydrophobicContact CB-CB 4.28Å; I171-C179 PolarHBondContact N-O 3.45Å; I171-C179 PolarHBondContact O-N 3.43Å; I171-L181 HydrophobicContact CD1-CD1 4.49Å; I171-V203 HydrophobicContact CD1-CB 4.19Å; I171-V203 HydrophobicContact CD1-CG1 4.44Å; I171-V203 HydrophobicContact CD1-CG2 4.18Å; I171-V203 HydrophobicContact CG1-CG2 4.48Å; I171-V203 HydrophobicContact CG2-CG2 4.29Å |
| 172 | Q | 80.5 | Confident | 80.2 | Confident | 103 Ų | 103 | 62 Ų | 62 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | trans | -81.5 | 114.8 | 174.1 | -62 | -174.4 | -32.6 | 0 | 0 | 109.6 | P154 G157 D178 | P154-Q172 WeakPolarHBondContact CD-O 3.27Å; G157-Q172 WeakPolarHBondContact O-CB 3.49Å; G157-Q172 PolarHBondContact O-N 3.31Å; Q172-D178 VanDerWaalsContact CA-OD1 3.32Å; Q172-D178 WeakPolarHBondContact CA-OD1 3.05Å | ||
| 173 | V | 76.4 | Confident | 80.1 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | trans | -96.4 | 135.3 | 179.8 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | A150 K151 I171 S175 G176 E177 | A150-V173 HydrophobicContact CB-CG2 4.34Å; K151-V173 WeakPolarHBondContact O-CG1 3.43Å; I171-V173 HydrophobicContact CG2-CG2 4.2Å; I171-V173 PolarHBondContact O-N 3.01Å; V173-S175 PolarHBondContact O-N 3.42Å; V173-G176 PolarHBondContact O-N 2.88Å; V173-E177 WeakPolarHBondContact CB-O 3.46Å; V173-E177 VanDerWaalsContact CG2-O 3.27Å; V173-E177 WeakPolarHBondContact CG2-O 3.13Å | ||
| 174 | A | 63.2 | Low | 79.9 | Confident | 82 Ų | 82 | 61 Ų | 61 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -10.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N152 G176 | N152-A174 HydrophobicContact CB-CB 4.33Å; N152-A174 WeakPolarHBondContact O-CB 3.41Å; A174-G176 VanDerWaalsContact C-N 3.28Å |
| 175 | S | 58.8 | Low | 80 | Confident | 97 Ų | 97 | 55 Ų | 55 | 68% | 0.678 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3 | 174.2 | -164.8 | 0 | 0 | 0 | 0 | 113.6 | V173 | V173-S175 PolarHBondContact O-N 3.42Š|
| 176 | G | 52.7 | Low | 79.9 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 69% | 0.691 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 89.8 | 2.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | V173 A174 | V173-G176 PolarHBondContact O-N 2.88Å; A174-G176 VanDerWaalsContact C-N 3.28Å |
| 177 | E | 62.3 | Low | 79.9 | Confident | 98 Ų | 98 | 52 Ų | 52 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | trans | -102.2 | 97.7 | 174.9 | -65 | 176.3 | 132.4 | 0 | 0 | 108.6 | A130 V173 | A130-E177 WeakPolarHBondContact CB-OE1 3.02Å; V173-E177 WeakPolarHBondContact CB-O 3.46Å; V173-E177 VanDerWaalsContact CG2-O 3.27Å; V173-E177 WeakPolarHBondContact CG2-O 3.13Å | ||
| 178 | D | 71.6 | Confident | 79.7 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | trans | -71.5 | 133.8 | 172.6 | -70.1 | -9.1 | 0 | 0 | 0 | 109 | Q172 | Q172-D178 VanDerWaalsContact CA-OD1 3.32Å; Q172-D178 WeakPolarHBondContact CA-OD1 3.05Å | ||
| 179 | C | 76.4 | Confident | 79.9 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116 | -177.3 | 173.9 | 0 | 0 | 0 | 0 | 110 | V133 Q170 I171 | V133-C179 HydrophobicContact CB-CB 4.39Å; V133-C179 HydrophobicContact CG2-CB 3.81Å; Q170-C179 CarbonylContact C-O 2.98Å; Q170-C179 WeakPolarHBondContact CA-O 3.36Å; I171-C179 HydrophobicContact CB-CB 4.28Å; I171-C179 PolarHBondContact N-O 3.45Å; I171-C179 PolarHBondContact O-N 3.43Å |
| 180 | D | 81.9 | Confident | 80 | Confident | 104 Ų | 104 | 52.5 Ų | 52.5 | 56% | 0.556 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.3 | 171.5 | -65.2 | -70.3 | 0 | 0 | 0 | 109.7 | A169 Q170 | A169-D180 CarbonylContact O-C 3.58Å; A169-D180 WeakPolarHBondContact O-CA 3.23Å; Q170-D180 WeakPolarHBondContact CB-OD1 3.48Å; Q170-D180 WeakPolarHBondContact CG-OD1 3.49Å; Q170-D180 PolarHBondContact NE2-OD1 2.93Å |
| 181 | L | 83.2 | Confident | 80.1 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.5 | 176.2 | -63 | 167 | 0 | 0 | 0 | 108.7 | V148 S168 A169 I171 F183 | V148-L181 HydrophobicContact CB-CD1 4.2Å; V148-L181 HydrophobicContact CG1-CD1 3.8Å; V148-L181 HydrophobicContact CG2-CD1 3.3Å; S168-L181 CarbonylContact C-O 3.53Å; S168-L181 VanDerWaalsContact CA-O 3.32Å; S168-L181 WeakPolarHBondContact CA-O 3.24Å; A169-L181 HydrophobicContact CB-CB 4.43Å; A169-L181 PolarHBondContact N-O 3.24Å; A169-L181 PolarHBondContact O-N 3.49Å; I171-L181 HydrophobicContact CD1-CD1 4.49Å; L181-F183 HydrophobicContact CB-CE2 3.98Å; L181-F183 HydrophobicContact CB-CZ 4.31Å; L181-F183 HydrophobicContact CD1-CE2 4.42Å; L181-F183 HydrophobicContact CD2-CZ 4.26Å |
| 182 | H | 86.8 | Confident | 80.1 | Confident | 107 Ų | 107 | 57.1 Ų | 57.1 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.8 | 173.9 | -173.4 | 81.9 | 0 | 0 | 0 | 108.6 | L167 S168 | L167-H182 CarbonylContact O-C 3.53Å; L167-H182 WeakPolarHBondContact O-CA 3.5Å; S168-H182 PolarHBondContact OG-CE1 2.89Å; S168-H182 PolarHBondContact OG-ND1 3.31Å |
| 183 | F | 86.9 | Confident | 80.4 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.7 | -178 | -59.9 | -63.8 | 0 | 0 | 0 | 110.3 | H135 V146 E166 L167 L181 L185 L218 E219 | H135-F183 AromaticContact CD2-CZ 3.72Å; H135-F183 AromaticContact NE2-CE1 3.7Å; H135-F183 AromaticContact NE2-CZ 3.71Å; V146-F183 HydrophobicContact CG1-CE2 3.98Å; V146-F183 HydrophobicContact CG1-CZ 4.41Å; E166-F183 VanDerWaalsContact CA-O 3.31Å; E166-F183 WeakPolarHBondContact CA-O 3.45Å; L167-F183 HydrophobicContact CB-CB 4.34Å; L167-F183 HydrophobicContact CB-CD2 4.42Å; L167-F183 HydrophobicContact CD2-CD2 3.72Å; L167-F183 HydrophobicContact CD2-CE2 4.32Å; L167-F183 HydrophobicContact CG-CD2 4.08Å; L167-F183 PolarHBondContact N-O 2.91Å; L167-F183 PolarHBondContact O-N 3.08Å; L181-F183 HydrophobicContact CB-CE2 3.98Å; L181-F183 HydrophobicContact CB-CZ 4.31Å; L181-F183 HydrophobicContact CD1-CE2 4.42Å; L181-F183 HydrophobicContact CD2-CZ 4.26Å; F183-L185 HydrophobicContact CB-CD2 4.3Å; F183-L218 HydrophobicContact CD1-CD2 4.23Å; F183-L218 HydrophobicContact CE1-CD2 4.31Å; F183-L218 HydrophobicContact CG-CD2 4.33Å; F183-E219 HydrophobicContact CB-CG 4.12Å; F183-E219 HydrophobicContact CD1-CG 4.13Å; F183-E219 WeakPolarHBondContact CD1-OE1 3.28Å |
| 184 | H | 87.9 | Confident | 81.2 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 99.6 | 170.8 | -158.8 | 89.3 | 0 | 0 | 0 | 109.9 | R165 E166 E219 G220 | R165-H184 CarbonylContact O-C 3.44Å; E166-H184 IonicContact OE1-CE1 3.47Å; E166-H184 PolarHBondContact OE1-CE1 3.41Å; E166-H184 IonicContact OE1-ND1 2.77Å; E166-H184 PolarHBondContact OE1-ND1 2.9Å; H184-E219 WeakPolarHBondContact O-CA 2.97Å; H184-E219 WeakPolarHBondContact O-CB 3.43Å; H184-G220 PolarHBondContact O-N 3.11Å; H184-G220 VanDerWaalsContact O-N 3.09Å |
| 185 | L | 89.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -68.1 | 134.5 | -168 | -56.3 | 173.7 | 0 | 0 | 0 | 112.5 | R165 L167 F183 H187 I189 M207 W215 L218 | R165-L185 WeakPolarHBondContact O-CB 3.37Å; R165-L185 PolarHBondContact O-N 3.04Å; L167-L185 HydrophobicContact CB-CD1 4.5Å; L167-L185 HydrophobicContact CB-CD2 4.39Å; F183-L185 HydrophobicContact CB-CD2 4.3Å; L185-H187 VanDerWaalsContact C-N 3.29Å; L185-H187 PolarHBondContact O-N 3.01Å; L185-I189 HydrophobicContact CD1-CB 4.42Å; L185-I189 HydrophobicContact CD1-CD1 3.63Å; L185-I189 HydrophobicContact CD1-CG1 3.82Å; L185-I189 HydrophobicContact CD1-CG2 3.75Å; L185-M207 HydrophobicContact CD1-SD 3.7Å; L185-M207 HydrophobicContact CD2-CE 4.09Å; L185-M207 HydrophobicContact CD2-SD 3.95Å; L185-M207 HydrophobicContact CG-SD 4.49Å; L185-W215 HydrophobicContact CB-CH2 3.82Å; L185-W215 HydrophobicContact CB-CZ3 3.93Å; L185-W215 HydrophobicContact CD1-CH2 4.36Å; L185-W215 HydrophobicContact CD2-CH2 4.33Å; L185-W215 HydrophobicContact CD2-CZ3 4.06Å; L185-W215 HydrophobicContact CG-CH2 4.39Å; L185-W215 HydrophobicContact CG-CZ3 4.49Å; L185-L218 WeakPolarHBondContact CA-O 3.34Å; L185-L218 HydrophobicContact CD2-CD1 4.11Å; L185-L218 HydrophobicContact CD2-CG 4.47Å |
| 186 | L | 86.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -56.7 | -41.9 | -179.1 | -178.8 | 66.2 | 0 | 0 | 0 | 112.8 | R165 W215 K217 L218 | R165-L186 PolarHBondContact NH1-O 3.45Å; L186-W215 HydrophobicContact CB-CE3 4.33Å; L186-K217 HydrophobicContact CD2-CB 4.47Å; L186-K217 WeakPolarHBondContact CD2-O 3.33Å; L186-L218 PolarHBondContact N-O 3.48Å |
| 187 | H | 88.3 | Confident | 85.9 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -126.5 | 156.5 | 179.7 | -63.8 | -75 | 0 | 0 | 0 | 111.2 | L185 W215 | L185-H187 VanDerWaalsContact C-N 3.29Å; L185-H187 PolarHBondContact O-N 3.01Å; H187-W215 HydrophobicContact CB-CD2 4.36Å; H187-W215 HydrophobicContact CB-CH2 4.4Å; H187-W215 HydrophobicContact CB-CZ2 3.63Å; H187-W215 AromaticContact CD2-CD1 3.57Å; H187-W215 AromaticContact CD2-CG 3.83Å; H187-W215 AromaticContact CD2-NE1 3.7Å; H187-W215 AromaticContact CG-NE1 3.96Å; H187-W215 WeakPolarHBondContact O-CH2 3.41Å; H187-W215 WeakPolarHBondContact O-CZ2 3.4Å |
| 188 | P | 88.6 | Confident | 87.1 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | trans | -66.8 | 145 | -178.9 | 25.4 | -32.2 | 0 | 0 | 0 | 112.6 | E164 R165 M210 | E164-P188 CarbonylContact O-C 3.18Å; E164-P188 WeakPolarHBondContact O-CA 3.33Å; R165-P188 HydrophobicContact CG-CB 4.47Å; P188-M210 HydrophobicContact CB-CB 4.14Å; P188-M210 HydrophobicContact CB-CE 4.03Å; P188-M210 HydrophobicContact CB-SD 3.84Å; P188-M210 HydrophobicContact CG-CB 4.06Å; P188-M210 HydrophobicContact CG-CG 4.46Å; P188-M210 HydrophobicContact CG-SD 3.83Å; P188-M210 VanDerWaalsContact O-CB 3.25Å; P188-M210 WeakPolarHBondContact O-CB 3.48Å; P188-M210 PolarHBondContact O-N 2.56Å | ||
| 189 | I | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 167.4 | 172.9 | 62.5 | 164.3 | 0 | 0 | 0 | 110 | F162 T163 E164 L185 P191 M207 K208 W215 | F162-I189 HydrophobicContact CB-CD1 4.29Å; F162-I189 HydrophobicContact CD1-CD1 4.17Å; T163-I189 WeakPolarHBondContact O-CG1 3.45Å; E164-I189 PolarHBondContact O-N 3.14Å; L185-I189 HydrophobicContact CD1-CB 4.42Å; L185-I189 HydrophobicContact CD1-CD1 3.63Å; L185-I189 HydrophobicContact CD1-CG1 3.82Å; L185-I189 HydrophobicContact CD1-CG2 3.75Å; I189-P191 VanDerWaalsContact O-CD 3.28Å; I189-P191 WeakPolarHBondContact O-CD 3.22Å; I189-M207 HydrophobicContact CB-CB 4.31Å; I189-M207 HydrophobicContact CD1-CB 3.93Å; I189-M207 HydrophobicContact CD1-CG 3.8Å; I189-M207 HydrophobicContact CD1-SD 3.91Å; I189-M207 HydrophobicContact CG2-CB 3.89Å; I189-K208 CarbonylContact C-O 3.58Å; I189-K208 WeakPolarHBondContact CA-O 3.42Å; I189-K208 VanDerWaalsContact CB-O 3.25Å; I189-K208 WeakPolarHBondContact CB-O 3.2Å; I189-W215 HydrophobicContact CG2-CH2 3.77Å; I189-W215 HydrophobicContact CG2-CZ2 3.92Å |
| 190 | V | 91.6 | Very high | 87.6 | Confident | 28 Ų | 28 | 59 Ų | 59 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 99.7 | 171.5 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | Q192 Q193 S194 K208 M210 | V190-Q192 VanDerWaalsContact C-N 3.27Å; V190-Q192 PolarHBondContact O-N 3.08Å; V190-Q193 HydrophobicContact CB-CB 4.22Å; V190-Q193 HydrophobicContact CG1-CB 4Å; V190-Q193 HydrophobicContact CG1-CG 3.81Å; V190-Q193 PolarHBondContact O-N 3.19Å; V190-S194 PolarHBondContact O-N 3.24Å; V190-S194 PolarHBondContact O-OG 3.48Å; V190-K208 HydrophobicContact CB-CB 4.19Å; V190-K208 HydrophobicContact CB-CG 4.14Å; V190-K208 HydrophobicContact CG2-CG 4.22Å; V190-K208 PolarHBondContact N-O 3.42Å; V190-M210 HydrophobicContact CG2-CB 4.35Å |
| 191 | P | 89.6 | Confident | 87.6 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | -37.9 | -171.7 | -26.3 | 37.9 | 0 | 0 | 0 | 112.5 | F162 E164 I189 Q193 S194 | F162-P191 HydrophobicContact CB-CB 3.87Å; E164-P191 HydrophobicContact CG-CG 4.27Å; I189-P191 VanDerWaalsContact O-CD 3.28Å; I189-P191 WeakPolarHBondContact O-CD 3.22Å; P191-Q193 PolarHBondContact O-N 3.02Å; P191-S194 PolarHBondContact O-N 3.03Å; P191-S194 VanDerWaalsContact O-N 3.14Å |
| 192 | Q | 86.8 | Confident | 87.7 | Confident | 162 Ų | 162 | 58.6 Ų | 58.6 | 76% | 0.757 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | -17.9 | -178 | -54.3 | 79.2 | 17.8 | 0 | 0 | 113.1 | V190 | V190-Q192 VanDerWaalsContact C-N 3.27Å; V190-Q192 PolarHBondContact O-N 3.08Å |
| 193 | Q | 87.5 | Confident | 87.8 | Confident | 118 Ų | 118 | 53.5 Ų | 53.5 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 5.4 | 176.8 | -63.3 | -175.7 | 35.9 | 0 | 0 | 112.5 | V190 P191 K208 | V190-Q193 HydrophobicContact CB-CB 4.22Å; V190-Q193 HydrophobicContact CG1-CB 4Å; V190-Q193 HydrophobicContact CG1-CG 3.81Å; V190-Q193 PolarHBondContact O-N 3.19Å; P191-Q193 PolarHBondContact O-N 3.02Å; Q193-K208 HydrophobicContact CB-CB 3.74Å; Q193-K208 HydrophobicContact CB-CG 3.96Å |
| 194 | S | 92.3 | Very high | 88 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 140.2 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | V190 P191 K206 M207 K208 | V190-S194 PolarHBondContact O-N 3.24Å; V190-S194 PolarHBondContact O-OG 3.48Å; P191-S194 PolarHBondContact O-N 3.03Å; P191-S194 VanDerWaalsContact O-N 3.14Å; S194-K206 CarbonylContact C-O 3.15Å; S194-K206 VanDerWaalsContact CA-O 3.27Å; S194-K206 WeakPolarHBondContact CA-O 3.47Å; S194-M207 WeakPolarHBondContact OG-CA 3.3Å; S194-K208 PolarHBondContact OG-N 3.26Å; S194-K208 VanDerWaalsContact OG-N 3.12Å |
| 195 | T | 93 | Very high | 88.3 | Confident | 82 Ų | 82 | 50.7 Ų | 50.7 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 163.4 | -170.2 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | K206 | T195-K206 PolarHBondContact N-O 3.44Å; T195-K206 PolarHBondContact O-N 2.94Å; T195-K206 VanDerWaalsContact O-O 3.06Å |
| 196 | F | 92 | Very high | 88.5 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.2 | 170.4 | 71.5 | -83.1 | 0 | 0 | 0 | 110.6 | V158 V160 I198 E204 I205 | V158-F196 HydrophobicContact CB-CE2 4.1Å; V158-F196 HydrophobicContact CG1-CD2 3.96Å; V158-F196 HydrophobicContact CG1-CE2 3.74Å; V160-F196 HydrophobicContact CB-CB 4.5Å; V160-F196 HydrophobicContact CB-CD1 3.72Å; V160-F196 HydrophobicContact CB-CE1 4.1Å; V160-F196 HydrophobicContact CB-CG 4.1Å; V160-F196 HydrophobicContact CG2-CB 3.99Å; V160-F196 HydrophobicContact CG2-CD1 3.76Å; V160-F196 HydrophobicContact CG2-CD2 3.96Å; V160-F196 HydrophobicContact CG2-CE1 4.19Å; V160-F196 HydrophobicContact CG2-CE2 4.37Å; V160-F196 HydrophobicContact CG2-CG 3.62Å; V160-F196 HydrophobicContact CG2-CZ 4.48Å; F196-I198 HydrophobicContact CD2-CG1 4.23Å; F196-I198 HydrophobicContact CE2-CD1 4.19Å; F196-I198 HydrophobicContact CE2-CG1 4.08Å; F196-E204 CarbonylContact C-O 3.57Å; F196-E204 VanDerWaalsContact CA-O 3.26Å; F196-E204 WeakPolarHBondContact CA-O 3.39Å; F196-I205 HydrophobicContact CB-CG1 4.12Å |
| 197 | K | 87.8 | Confident | 88.9 | Confident | 135 Ų | 135 | 52.7 Ų | 52.7 | 59% | 0.587 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 129 | 177.9 | -171.5 | 175.8 | -178.5 | 178.7 | 0 | 109.9 | L199 E204 | K197-L199 HydrophobicContact CB-CD1 4.25Å; K197-L199 HydrophobicContact CD-CD1 4.2Å; K197-L199 HydrophobicContact CG-CD1 3.96Å; K197-E204 PolarHBondContact N-O 2.95Å; K197-E204 PolarHBondContact O-N 3.49Å |
| 198 | I | 87.4 | Confident | 89 | Confident | 45 Ų | 45 | 53.4 Ų | 53.4 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.3 | 174 | -50.9 | 170.3 | 0 | 0 | 0 | 107.8 | V153 K155 V158 F196 V203 | V153-I198 HydrophobicContact CB-CG2 4.04Å; V153-I198 HydrophobicContact CG1-CG2 4.17Å; K155-I198 WeakPolarHBondContact O-CD1 3.37Å; V158-I198 HydrophobicContact CB-CD1 3.77Å; V158-I198 HydrophobicContact CB-CG1 4.19Å; V158-I198 HydrophobicContact CG2-CD1 3.61Å; V158-I198 HydrophobicContact CG2-CG1 3.89Å; F196-I198 HydrophobicContact CD2-CG1 4.23Å; F196-I198 HydrophobicContact CE2-CD1 4.19Å; F196-I198 HydrophobicContact CE2-CG1 4.08Å; I198-V203 HydrophobicContact CG2-CG2 4.49Å |
| 199 | L | 83.6 | Confident | 89.1 | Confident | 59 Ų | 59 | 53 Ų | 53 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | trans | -112.8 | 170.8 | 171.1 | -65.3 | 87.5 | 0 | 0 | 0 | 109.6 | K197 T201 K202 E204 | K197-L199 HydrophobicContact CB-CD1 4.25Å; K197-L199 HydrophobicContact CD-CD1 4.2Å; K197-L199 HydrophobicContact CG-CD1 3.96Å; L199-T201 VanDerWaalsContact C-N 3.26Å; L199-T201 PolarHBondContact O-N 2.97Å; L199-K202 CarbonylContact C-O 3.58Å; L199-K202 WeakPolarHBondContact CA-O 3.31Å; L199-K202 HydrophobicContact CB-CG 4.08Å; L199-K202 VanDerWaalsContact CB-O 3.3Å; L199-K202 WeakPolarHBondContact CB-O 3.23Å; L199-K202 HydrophobicContact CD1-CG 4.27Å; L199-K202 PolarHBondContact N-O 3.21Å; L199-E204 HydrophobicContact CD1-CB 4.15Å | ||
| 200 | S | 75.8 | Confident | 88.8 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -64.1 | -28.4 | -178.2 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | N152 | N152-S200 PolarHBondContact N-O 3.47Š|
| 201 | T | 80.9 | Confident | 88.4 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -118 | -7.9 | -174.9 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | A150 L199 | A150-T201 PolarHBondContact N-O 3.35Å; A150-T201 CarbonylContact O-C 3.43Å; L199-T201 VanDerWaalsContact C-N 3.26Å; L199-T201 PolarHBondContact O-N 2.97Å |
| 202 | K | 86.3 | Confident | 87.9 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | trans | -161 | 155.9 | -173.8 | 66.1 | -175.1 | -159.1 | 146.1 | 0 | 112.3 | T147 V148 M149 A150 L199 E204 | T147-K202 HydrophobicContact CG2-CB 4.03Å; T147-K202 HydrophobicContact CG2-CD 3.7Å; T147-K202 HydrophobicContact CG2-CG 4.32Å; V148-K202 CarbonylContact O-C 3.46Å; V148-K202 WeakPolarHBondContact O-CA 3.42Å; V148-K202 WeakPolarHBondContact O-CB 3.5Å; M149-K202 HydrophobicContact SD-CB 4.11Å; A150-K202 PolarHBondContact O-N 2.89Å; L199-K202 CarbonylContact C-O 3.58Å; L199-K202 WeakPolarHBondContact CA-O 3.31Å; L199-K202 HydrophobicContact CB-CG 4.08Å; L199-K202 VanDerWaalsContact CB-O 3.3Å; L199-K202 WeakPolarHBondContact CB-O 3.23Å; L199-K202 HydrophobicContact CD1-CG 4.27Å; L199-K202 PolarHBondContact N-O 3.21Å; K202-E204 IonicContact NZ-OE2 3.12Å; K202-E204 PolarHBondContact NZ-OE2 3.29Å | ||
| 203 | V | 88.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.1 | 164.8 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | T147 V148 V153 V158 I171 I198 I205 | T147-V203 WeakPolarHBondContact CA-O 3.38Å; V148-V203 HydrophobicContact CB-CB 4.43Å; V148-V203 PolarHBondContact N-O 3.36Å; V148-V203 PolarHBondContact O-N 3.45Å; V153-V203 HydrophobicContact CG1-CG2 4.49Å; V153-V203 HydrophobicContact CG2-CG2 4.34Å; V158-V203 HydrophobicContact CG1-CG1 4.22Å; V158-V203 HydrophobicContact CG2-CG2 4.26Å; I171-V203 HydrophobicContact CD1-CB 4.19Å; I171-V203 HydrophobicContact CD1-CG1 4.44Å; I171-V203 HydrophobicContact CD1-CG2 4.18Å; I171-V203 HydrophobicContact CG1-CG2 4.48Å; I171-V203 HydrophobicContact CG2-CG2 4.29Å; I198-V203 HydrophobicContact CG2-CG2 4.49Å; V203-I205 HydrophobicContact CG1-CG1 4.32Å |
| 204 | E | 92 | Very high | 87.5 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118 | -179.8 | -171.8 | 173.8 | 108.5 | 0 | 0 | 109.4 | I145 F196 K197 L199 K202 K206 | I145-E204 HydrophobicContact CG2-CG 3.59Å; F196-E204 CarbonylContact C-O 3.57Å; F196-E204 VanDerWaalsContact CA-O 3.26Å; F196-E204 WeakPolarHBondContact CA-O 3.39Å; K197-E204 PolarHBondContact N-O 2.95Å; K197-E204 PolarHBondContact O-N 3.49Å; L199-E204 HydrophobicContact CD1-CB 4.15Å; K202-E204 IonicContact NZ-OE2 3.12Å; K202-E204 PolarHBondContact NZ-OE2 3.29Å; E204-K206 HydrophobicContact CG-CG 4.5Å; E204-K206 WeakPolarHBondContact OE1-CE 3.49Å; E204-K206 IonicContact OE1-NZ 3.88Å; E204-K206 PolarHBondContact OE1-NZ 3.11Å |
| 205 | I | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.6 | -178.8 | -55.8 | 172.7 | 0 | 0 | 0 | 107.6 | I145 V146 V160 F162 L167 A169 F196 V203 M207 | I145-I205 CarbonylContact C-O 3.5Å; I145-I205 VanDerWaalsContact CA-O 3.29Å; I145-I205 WeakPolarHBondContact CA-O 3.49Å; V146-I205 HydrophobicContact CB-CB 4.39Å; V146-I205 PolarHBondContact N-O 3.36Å; V146-I205 PolarHBondContact O-N 3.2Å; V160-I205 HydrophobicContact CG1-CD1 4.39Å; V160-I205 HydrophobicContact CG1-CG2 4.21Å; V160-I205 HydrophobicContact CG2-CD1 4.32Å; V160-I205 HydrophobicContact CG2-CG1 4.47Å; F162-I205 HydrophobicContact CE1-CG2 3.55Å; F162-I205 HydrophobicContact CZ-CG2 3.88Å; L167-I205 HydrophobicContact CD1-CD1 4.41Å; L167-I205 HydrophobicContact CD1-CG2 3.85Å; L167-I205 HydrophobicContact CD2-CD1 4.26Å; L167-I205 HydrophobicContact CD2-CG2 3.91Å; A169-I205 HydrophobicContact CB-CD1 3.7Å; F196-I205 HydrophobicContact CB-CG1 4.12Å; V203-I205 HydrophobicContact CG1-CG1 4.32Å; I205-M207 HydrophobicContact CG2-CG 4.44Å |
| 206 | K | 93.9 | Very high | 86.9 | Confident | 71 Ų | 71 | 67 Ų | 67 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.2 | -179.6 | -62.2 | -169 | -179 | -170.6 | 0 | 110.2 | I145 S194 T195 E204 | I145-K206 HydrophobicContact CG1-CG 4.01Å; I145-K206 HydrophobicContact CG2-CG 4.23Å; S194-K206 CarbonylContact C-O 3.15Å; S194-K206 VanDerWaalsContact CA-O 3.27Å; S194-K206 WeakPolarHBondContact CA-O 3.47Å; T195-K206 PolarHBondContact N-O 3.44Å; T195-K206 PolarHBondContact O-N 2.94Å; T195-K206 VanDerWaalsContact O-O 3.06Å; E204-K206 HydrophobicContact CG-CG 4.5Å; E204-K206 WeakPolarHBondContact OE1-CE 3.49Å; E204-K206 IonicContact OE1-NZ 3.88Å; E204-K206 PolarHBondContact OE1-NZ 3.11Å |
| 207 | M | 94.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131 | 177.4 | -62.1 | 169.8 | -73.6 | 0 | 0 | 110 | Q143 V144 V146 F162 L167 L185 I189 S194 I205 L218 | Q143-M207 CarbonylContact C-O 3.52Å; Q143-M207 WeakPolarHBondContact CA-O 3.41Å; V144-M207 HydrophobicContact CB-CE 4.2Å; V144-M207 HydrophobicContact CG1-CE 3.9Å; V144-M207 PolarHBondContact N-O 2.85Å; V144-M207 PolarHBondContact O-N 3Å; V146-M207 HydrophobicContact CG2-CE 3.67Å; F162-M207 HydrophobicContact CD1-CG 4.06Å; F162-M207 HydrophobicContact CE1-CG 3.87Å; L167-M207 HydrophobicContact CB-SD 3.94Å; L167-M207 HydrophobicContact CD2-CE 3.84Å; L167-M207 HydrophobicContact CD2-SD 3.68Å; L167-M207 HydrophobicContact CG-SD 4.26Å; L185-M207 HydrophobicContact CD1-SD 3.7Å; L185-M207 HydrophobicContact CD2-CE 4.09Å; L185-M207 HydrophobicContact CD2-SD 3.95Å; L185-M207 HydrophobicContact CG-SD 4.49Å; I189-M207 HydrophobicContact CB-CB 4.31Å; I189-M207 HydrophobicContact CD1-CB 3.93Å; I189-M207 HydrophobicContact CD1-CG 3.8Å; I189-M207 HydrophobicContact CD1-SD 3.91Å; I189-M207 HydrophobicContact CG2-CB 3.89Å; S194-M207 WeakPolarHBondContact OG-CA 3.3Å; I205-M207 HydrophobicContact CG2-CG 4.44Å; M207-L218 HydrophobicContact CE-CD1 4.31Å |
| 208 | K | 91.3 | Very high | 86.6 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.1 | 176 | 178.5 | 72.5 | -170.7 | -179.6 | 0 | 108.7 | S142 Q143 I189 V190 Q193 S194 | S142-K208 WeakPolarHBondContact O-CD 3.41Å; S142-K208 PolarHBondContact OG-NZ 3.49Å; Q143-K208 HydrophobicContact CG-CD 4.44Å; I189-K208 CarbonylContact C-O 3.58Å; I189-K208 WeakPolarHBondContact CA-O 3.42Å; I189-K208 VanDerWaalsContact CB-O 3.25Å; I189-K208 WeakPolarHBondContact CB-O 3.2Å; V190-K208 HydrophobicContact CB-CB 4.19Å; V190-K208 HydrophobicContact CB-CG 4.14Å; V190-K208 HydrophobicContact CG2-CG 4.22Å; V190-K208 PolarHBondContact N-O 3.42Å; Q193-K208 HydrophobicContact CB-CB 3.74Å; Q193-K208 HydrophobicContact CB-CG 3.96Å; S194-K208 PolarHBondContact OG-N 3.26Å; S194-K208 VanDerWaalsContact OG-N 3.12Å |
| 209 | K | 91.1 | Very high | 86.5 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 140.1 | 174.9 | -62.8 | 176.8 | 174.8 | -179.5 | 0 | 110.3 | T140 S142 V144 D211 I213 W215 | T140-K209 WeakPolarHBondContact O-CE 3.47Å; T140-K209 PolarHBondContact O-NZ 3.2Å; S142-K209 PolarHBondContact O-N 2.88Å; V144-K209 HydrophobicContact CG2-CD 4.3Å; V144-K209 VanDerWaalsContact CG2-CE 3.46Å; V144-K209 HydrophobicContact CG2-CG 3.91Å; K209-D211 WeakPolarHBondContact CB-O 3.32Å; K209-I213 PolarHBondContact NZ-O 3.42Å; K209-W215 HydrophobicContact CG-CZ2 4.49Å |
| 210 | M | 86.1 | Confident | 86.3 | Confident | 90 Ų | 90 | 64 Ų | 64 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -71.7 | -46.8 | 170.8 | -173.3 | 171.8 | -72.2 | 0 | 0 | 110.6 | P188 V190 | P188-M210 HydrophobicContact CB-CB 4.14Å; P188-M210 HydrophobicContact CB-CE 4.03Å; P188-M210 HydrophobicContact CB-SD 3.84Å; P188-M210 HydrophobicContact CG-CB 4.06Å; P188-M210 HydrophobicContact CG-CG 4.46Å; P188-M210 HydrophobicContact CG-SD 3.83Å; P188-M210 VanDerWaalsContact O-CB 3.25Å; P188-M210 WeakPolarHBondContact O-CB 3.48Å; P188-M210 PolarHBondContact O-N 2.56Å; V190-M210 HydrophobicContact CG2-CB 4.35Å |
| 211 | D | 82.7 | Confident | 85.5 | Confident | 77 Ų | 77 | 67.8 Ų | 67.8 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -107.4 | 148.4 | 178 | -56.7 | -59.7 | 0 | 0 | 0 | 111.8 | K209 I213 | K209-D211 WeakPolarHBondContact CB-O 3.32Å; D211-I213 HydrophobicContact CB-CB 4.41Å; D211-I213 HydrophobicContact CB-CD1 3.57Å; D211-I213 HydrophobicContact CB-CG1 3.72Å; D211-I213 PolarHBondContact O-N 3.07Å |
| 212 | A | 78.4 | Confident | 84 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 83% | 0.826 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -75.8 | 49.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 213 | I | 81.5 | Confident | 82 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 26% | 0.256 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -102.8 | 144.1 | -178.5 | -60.4 | 170.3 | 0 | 0 | 0 | 109.1 | K209 D211 I227 | K209-I213 PolarHBondContact NZ-O 3.42Å; D211-I213 HydrophobicContact CB-CB 4.41Å; D211-I213 HydrophobicContact CB-CD1 3.57Å; D211-I213 HydrophobicContact CB-CG1 3.72Å; D211-I213 PolarHBondContact O-N 3.07Å; I213-I227 HydrophobicContact CD1-CD1 3.93Å |
| 214 | R | 84.1 | Confident | 79.8 | Confident | 214 Ų | 214 | 80.3 Ų | 80.3 | 81% | 0.808 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -83 | 124.9 | 172.1 | -175.3 | 175.6 | 178.2 | 170.6 | -0.9 | 109.5 | ||
| 215 | W | 87.4 | Confident | 77.2 | Confident | 4 Ų | 4 | 83.3 Ų | 83.3 | 2% | 0.015 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 122.2 | -178.7 | -66.9 | 26.7 | 0 | 0 | 0 | 109.4 | W137 Q139 V144 L185 L186 H187 I189 K209 K217 L218 | W137-W215 HydrophobicContact CH2-CB 4.39Å; W137-W215 HydrophobicContact CZ3-CB 4.41Å; Q139-W215 PolarHBondContact NE2-O 3.1Å; V144-W215 HydrophobicContact CG1-CE3 4.41Å; V144-W215 HydrophobicContact CG1-CZ3 4.41Å; V144-W215 HydrophobicContact CG2-CD2 3.65Å; V144-W215 HydrophobicContact CG2-CE3 3.88Å; V144-W215 HydrophobicContact CG2-CG 4.2Å; V144-W215 HydrophobicContact CG2-CH2 4.07Å; V144-W215 HydrophobicContact CG2-CZ2 3.87Å; V144-W215 HydrophobicContact CG2-CZ3 4.08Å; L185-W215 HydrophobicContact CB-CH2 3.82Å; L185-W215 HydrophobicContact CB-CZ3 3.93Å; L185-W215 HydrophobicContact CD1-CH2 4.36Å; L185-W215 HydrophobicContact CD2-CH2 4.33Å; L185-W215 HydrophobicContact CD2-CZ3 4.06Å; L185-W215 HydrophobicContact CG-CH2 4.39Å; L185-W215 HydrophobicContact CG-CZ3 4.49Å; L186-W215 HydrophobicContact CB-CE3 4.33Å; H187-W215 HydrophobicContact CB-CD2 4.36Å; H187-W215 HydrophobicContact CB-CH2 4.4Å; H187-W215 HydrophobicContact CB-CZ2 3.63Å; H187-W215 AromaticContact CD2-CD1 3.57Å; H187-W215 AromaticContact CD2-CG 3.83Å; H187-W215 AromaticContact CD2-NE1 3.7Å; H187-W215 AromaticContact CG-NE1 3.96Å; H187-W215 WeakPolarHBondContact O-CH2 3.41Å; H187-W215 WeakPolarHBondContact O-CZ2 3.4Å; I189-W215 HydrophobicContact CG2-CH2 3.77Å; I189-W215 HydrophobicContact CG2-CZ2 3.92Å; K209-W215 HydrophobicContact CG-CZ2 4.49Å; W215-K217 VanDerWaalsContact C-N 3.31Å; W215-L218 HydrophobicContact CE3-CD1 4.48Å; W215-L218 HydrophobicContact CZ3-CD1 4.24Å; W215-L218 WeakPolarHBondContact CZ3-O 3.32Å |
| 216 | E | 85.4 | Confident | 74.7 | Confident | 181 Ų | 181 | 90.9 Ų | 90.9 | 85% | 0.846 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -75.1 | -28.1 | 175 | -62.1 | -170.4 | 154.1 | 0 | 0 | 111.8 | ||
| 217 | K | 87.4 | Confident | 72.3 | Confident | 143 Ų | 143 | 92.8 Ų | 92.8 | 62% | 0.622 | 47% | 0.474 | S | S | * | . | trans | -141.2 | 156.8 | 178.5 | -62.7 | -179.2 | -177.8 | 175.8 | 0 | 109.8 | L186 W215 | L186-K217 HydrophobicContact CD2-CB 4.47Å; L186-K217 WeakPolarHBondContact CD2-O 3.33Å; W215-K217 VanDerWaalsContact C-N 3.31Å | ||
| 218 | L | 85.8 | Confident | 69.7 | Low | 8 Ų | 8 | 101.8 Ų | 101.8 | 4% | 0.042 | 51% | 0.513 | C | S | . | . | S | Bend | trans | -70.8 | -40.5 | 173.9 | -175.8 | 62.9 | 0 | 0 | 0 | 111 | W137 V144 V146 F183 L185 L186 M207 W215 | W137-L218 HydrophobicContact CB-CD2 4.17Å; W137-L218 HydrophobicContact CD2-CB 3.88Å; W137-L218 HydrophobicContact CD2-CD1 4.25Å; W137-L218 HydrophobicContact CD2-CG 4.47Å; W137-L218 HydrophobicContact CE3-CB 4.41Å; W137-L218 HydrophobicContact CE3-CD1 4.23Å; W137-L218 HydrophobicContact CG-CB 4.11Å; W137-L218 HydrophobicContact CG-CD1 4.39Å; W137-L218 HydrophobicContact CG-CD2 4.03Å; W137-L218 HydrophobicContact CG-CG 4.41Å; W137-L218 HydrophobicContact CZ2-CB 4.21Å; V144-L218 HydrophobicContact CG1-CD1 3.57Å; V146-L218 HydrophobicContact CG2-CD1 4.01Å; V146-L218 HydrophobicContact CG2-CD2 3.81Å; F183-L218 HydrophobicContact CD1-CD2 4.23Å; F183-L218 HydrophobicContact CE1-CD2 4.31Å; F183-L218 HydrophobicContact CG-CD2 4.33Å; L185-L218 WeakPolarHBondContact CA-O 3.34Å; L185-L218 HydrophobicContact CD2-CD1 4.11Å; L185-L218 HydrophobicContact CD2-CG 4.47Å; L186-L218 PolarHBondContact N-O 3.48Å; M207-L218 HydrophobicContact CE-CD1 4.31Å; W215-L218 HydrophobicContact CE3-CD1 4.48Å; W215-L218 HydrophobicContact CZ3-CD1 4.24Å; W215-L218 WeakPolarHBondContact CZ3-O 3.32Å |
| 219 | E | 86.1 | Confident | 67.3 | Low | 84 Ų | 84 | 107.3 Ų | 107.3 | 39% | 0.393 | 54% | 0.539 | S | S | . | . | B | Isolated β-bridge | trans | -118.6 | 150.2 | -172.5 | -64.4 | 172.3 | -111.9 | 0 | 0 | 113 | F183 H184 | F183-E219 HydrophobicContact CB-CG 4.12Å; F183-E219 HydrophobicContact CD1-CG 4.13Å; F183-E219 WeakPolarHBondContact CD1-OE1 3.28Å; H184-E219 WeakPolarHBondContact O-CA 2.97Å; H184-E219 WeakPolarHBondContact O-CB 3.43Å |
| 220 | G | 78.4 | Confident | 64.6 | Low | 25 Ų | 25 | 116.4 Ų | 116.4 | 26% | 0.258 | 58% | 0.58 | S | S | . | * | trans | 163.3 | 158 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H184 G222 | H184-G220 PolarHBondContact O-N 3.11Å; H184-G220 VanDerWaalsContact O-N 3.09Å; G220-G222 PolarHBondContact O-N 2.93Å; G220-G222 VanDerWaalsContact O-N 3.11Å | ||
| 221 | E | 59.9 | Low | 62.5 | Low | 170 Ų | 170 | 117.3 Ų | 117.3 | 79% | 0.794 | 59% | 0.586 | S | S | * | * | trans | -71.5 | 102.6 | 165.4 | -68.9 | -177.2 | 172.2 | 0 | 0 | 107.7 | Q223 | E221-Q223 PolarHBondContact O-N 3.29Š| ||
| 222 | G | 49.7 | Very low | 60.9 | Low | 28 Ų | 28 | 119 Ų | 119 | 29% | 0.289 | 60% | 0.601 | S | S | . | * | trans | -59.4 | 101.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | G220 E224 | G220-G222 PolarHBondContact O-N 2.93Å; G220-G222 VanDerWaalsContact O-N 3.11Å; G222-E224 PolarHBondContact O-N 3.07Å | ||
| 223 | Q | 43.5 | Very low | 59.4 | Low | 185 Ų | 185 | 121.7 Ų | 121.7 | 86% | 0.864 | 60% | 0.602 | S | S | * | * | trans | -58.9 | 112.4 | 153 | -83.7 | -170.8 | -19.6 | 0 | 0 | 105.7 | E221 S225 | E221-Q223 PolarHBondContact O-N 3.29Å; Q223-S225 PolarHBondContact O-N 2.84Å | ||
| 224 | E | 41.8 | Very low | 57.2 | Low | 168 Ų | 168 | 127.4 Ų | 127.4 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | trans | -59.2 | 87.2 | 161.5 | -69.9 | -173.4 | 163.4 | 0 | 0 | 106.8 | G222 N226 | G222-E224 PolarHBondContact O-N 3.07Å; E224-N226 PolarHBondContact O-N 3.36Å | ||
| 225 | S | 38.9 | Very low | 55 | Low | 85 Ų | 85 | 127.7 Ų | 127.7 | 59% | 0.594 | 63% | 0.63 | S | S | * | * | trans | -54.7 | 119.9 | 159.5 | 46.9 | 0 | 0 | 0 | 0 | 105 | Q223 I227 | Q223-S225 PolarHBondContact O-N 2.84Å; S225-I227 PolarHBondContact O-N 3.35Å | ||
| 226 | N | 41.8 | Very low | 52.7 | Low | 159 Ų | 159 | 133.3 Ų | 133.3 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | trans | -59.4 | 82.3 | 175.1 | -120.9 | -83.3 | 0 | 0 | 0 | 107.6 | E224 K228 | E224-N226 PolarHBondContact O-N 3.36Å; N226-K228 VanDerWaalsContact C-N 3.33Å; N226-K228 PolarHBondContact O-N 3.37Å | ||
| 227 | I | 42 | Very low | 50.6 | Low | 112 Ų | 112 | 130.3 Ų | 130.3 | 57% | 0.574 | 66% | 0.661 | S | S | * | * | trans | -71.2 | 101.8 | 169 | -61.3 | 176.7 | 0 | 0 | 0 | 103.6 | I213 S225 H229 | I213-I227 HydrophobicContact CD1-CD1 3.93Å; S225-I227 PolarHBondContact O-N 3.35Å; I227-H229 PolarHBondContact O-N 3.08Å | ||
| 228 | K | 40.1 | Very low | 48.2 | Very low | 188 Ų | 188 | 128.7 Ų | 128.7 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | trans | -48.2 | 110.9 | 166 | -71.3 | -178.7 | 179.5 | 178.1 | 0 | 106.9 | N226 F230 | N226-K228 VanDerWaalsContact C-N 3.33Å; N226-K228 PolarHBondContact O-N 3.37Å; K228-F230 PolarHBondContact O-N 2.98Å | ||
| 229 | H | 40.6 | Very low | 46 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | trans | -45.6 | 115.2 | 165.7 | -103.8 | 66.2 | 0 | 0 | 0 | 107.9 | I227 N231 | I227-H229 PolarHBondContact O-N 3.08Å; H229-N231 VanDerWaalsContact C-N 3.27Å; H229-N231 PolarHBondContact O-N 3.46Å | ||
| 230 | F | 34.8 | Very low | 43.7 | Very low | 202 Ų | 202 | 136.8 Ų | 136.8 | 89% | 0.886 | 72% | 0.715 | S | S | * | * | trans | -73.7 | 91.7 | 168.9 | -135.2 | -86.2 | 0 | 0 | 0 | 106.5 | K228 P232 | K228-F230 PolarHBondContact O-N 2.98Å; F230-P232 WeakPolarHBondContact O-CD 3.39Å | ||
| 231 | N | 42.5 | Very low | 42 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 58% | 0.578 | 74% | 0.742 | S | S | * | * | trans | -80.3 | 114.8 | 170.8 | -115.1 | -13.1 | 0 | 0 | 0 | 107.5 | H229 N233 | H229-N231 VanDerWaalsContact C-N 3.27Å; H229-N231 PolarHBondContact O-N 3.46Å; N231-N233 PolarHBondContact O-N 3.23Å | ||
| 232 | P | 48.8 | Very low | 41.1 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 14.3 | -173.5 | 28 | -33.4 | 0 | 0 | 0 | 114.4 | F230 | F230-P232 WeakPolarHBondContact O-CD 3.39Š|
| 233 | N | 46.9 | Very low | 41.1 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.1 | 22.3 | -168.4 | -109.7 | 3 | 0 | 0 | 0 | 117.2 | N231 | N231-N233 PolarHBondContact O-N 3.23Š|
| 234 | Q | 34.8 | Very low | 41.9 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -133.9 | 116.1 | 172.6 | -98.8 | 176.7 | -24.1 | 0 | 0 | 113 | ||||
| 235 | Y | 37.5 | Very low | 42.3 | Very low | 221 Ų | 221 | 147.8 Ų | 147.8 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -113.1 | 116.7 | 176.9 | -153.8 | -87.4 | 0 | 0 | 0 | 109 | ||||
| 236 | P | 40.1 | Very low | 42.9 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | -98.6 | 116.3 | 161.1 | 27 | -13.1 | 0 | 0 | 0 | 109 | ||||
| 237 | T | 41.3 | Very low | 43.4 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | trans | -71 | 129.6 | 172 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 238 | S | 36.9 | Very low | 43.6 | Very low | 109 Ų | 109 | 149 Ų | 149 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | 160.3 | 128.1 | 121.4 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 239 | S | 38.5 | Very low | 44.3 | Very low | 87 Ų | 87 | 144.2 Ų | 144.2 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | trans | -44 | 158.2 | 175.3 | 44.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 240 | H | 38 | Very low | 44.8 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 82% | 0.815 | 71% | 0.712 | S | S | * | * | -164.6 | 119.5 | 59.2 | -76.6 | -87.8 | 0 | 0 | 0 | 112 | |||||
| 241 | Y | 42.6 | Very low | 45.5 | Very low | 211 Ų | 211 | 136.1 Ų | 136.1 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | trans | 171.3 | 100.2 | 133.2 | -164.3 | -106.5 | 0 | 0 | 0 | 108.5 | ||||
| 242 | T | 41.1 | Very low | 45.9 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 68% | 0.684 | S | S | * | * | trans | -92.1 | 104.5 | 179.2 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | K244 | T242-K244 PolarHBondContact O-N 3.21Š| ||
| 243 | H | 50.6 | Low | 46.1 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 60% | 0.597 | 67% | 0.669 | S | S | * | * | trans | -70 | 122.7 | 159.8 | -142.3 | -91.3 | 0 | 0 | 0 | 107.5 | W245 | H243-W245 VanDerWaalsContact C-N 3.33Å; H243-W245 VanDerWaalsContact O-CD1 3.29Å; H243-W245 PolarHBondContact O-N 3.15Å | ||
| 244 | K | 59.3 | Low | 46.3 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 74% | 0.739 | 66% | 0.656 | S | S | * | * | trans | -76.4 | 76.8 | -171.3 | -68.9 | 178.9 | 177.8 | -179.6 | 0 | 111.8 | T242 D246 | T242-K244 PolarHBondContact O-N 3.21Å; K244-D246 VanDerWaalsContact C-N 3.35Å | ||
| 245 | W | 50.8 | Low | 46.9 | Very low | 168 Ų | 168 | 129.7 Ų | 129.7 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.1 | -27.8 | 172.6 | -67.6 | 103.2 | 0 | 0 | 0 | 112.8 | H243 K247 M248 V249 | H243-W245 VanDerWaalsContact C-N 3.33Å; H243-W245 VanDerWaalsContact O-CD1 3.29Å; H243-W245 PolarHBondContact O-N 3.15Å; W245-K247 PolarHBondContact O-N 2.84Å; W245-M248 HydrophobicContact CE3-SD 4.42Å; W245-M248 HydrophobicContact CZ3-SD 4.2Å; W245-M248 PolarHBondContact O-N 3.05Å; W245-M248 VanDerWaalsContact O-N 3.15Å; W245-V249 WeakPolarHBondContact O-CG2 3.44Å; W245-V249 PolarHBondContact O-N 3.13Å; W245-V249 VanDerWaalsContact O-N 3.09Å |
| 246 | D | 52.3 | Low | 47.2 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.9 | -30.5 | 177.5 | -76.7 | -60 | 0 | 0 | 0 | 113.4 | K244 M250 | K244-D246 VanDerWaalsContact C-N 3.35Å; D246-M250 WeakPolarHBondContact O-CB 3.33Å; D246-M250 WeakPolarHBondContact O-CG 3.34Å; D246-M250 PolarHBondContact O-N 3.16Å |
| 247 | K | 52.4 | Low | 47.6 | Very low | 141 Ų | 141 | 129 Ų | 129 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.3 | -37.9 | 178.1 | -163.8 | -176.7 | 177.1 | -168 | 0 | 111.6 | W245 D251 | W245-K247 PolarHBondContact O-N 2.84Å; K247-D251 WeakPolarHBondContact O-CB 3.5Å; K247-D251 VanDerWaalsContact O-CG 3.22Å; K247-D251 PolarHBondContact O-N 3.12Å |
| 248 | M | 46.6 | Very low | 47.7 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 53% | 0.532 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -73.1 | -36.6 | 178.8 | -175.3 | 172.2 | -96.9 | 0 | 0 | 111.7 | W245 D251 I252 | W245-M248 HydrophobicContact CE3-SD 4.42Å; W245-M248 HydrophobicContact CZ3-SD 4.2Å; W245-M248 PolarHBondContact O-N 3.05Å; W245-M248 VanDerWaalsContact O-N 3.15Å; M248-D251 PolarHBondContact O-N 3.43Å; M248-I252 HydrophobicContact CG-CD1 3.93Å; M248-I252 WeakPolarHBondContact O-CB 3.43Å; M248-I252 WeakPolarHBondContact O-CD1 3.46Å; M248-I252 WeakPolarHBondContact O-CG1 3.35Å; M248-I252 PolarHBondContact O-N 2.82Å |
| 249 | V | 53.8 | Low | 48 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 52% | 0.521 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.1 | -37.4 | 175.3 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | W245 S253 | W245-V249 WeakPolarHBondContact O-CG2 3.44Å; W245-V249 PolarHBondContact O-N 3.13Å; W245-V249 VanDerWaalsContact O-N 3.09Å; V249-S253 VanDerWaalsContact O-CB 3.3Å; V249-S253 WeakPolarHBondContact O-CB 3.39Å; V249-S253 PolarHBondContact O-N 3.27Å; V249-S253 PolarHBondContact O-OG 3.3Å |
| 250 | M | 51.2 | Low | 48.3 | Very low | 120 Ų | 120 | 137 Ų | 137 | 59% | 0.591 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.8 | -44 | 173 | -79.7 | -159.4 | 69.1 | 0 | 0 | 112.5 | D246 I252 S253 E254 | D246-M250 WeakPolarHBondContact O-CB 3.33Å; D246-M250 WeakPolarHBondContact O-CG 3.34Å; D246-M250 PolarHBondContact O-N 3.16Å; M250-I252 PolarHBondContact O-N 3.11Å; M250-S253 PolarHBondContact O-N 3.48Å; M250-E254 PolarHBondContact O-N 2.95Å |
| 251 | D | 49.8 | Very low | 48.7 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 45% | 0.449 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.9 | -41.8 | 177.8 | -73.2 | -13.3 | 0 | 0 | 0 | 110.7 | K247 M248 E254 E255 | K247-D251 WeakPolarHBondContact O-CB 3.5Å; K247-D251 VanDerWaalsContact O-CG 3.22Å; K247-D251 PolarHBondContact O-N 3.12Å; M248-D251 PolarHBondContact O-N 3.43Å; D251-E254 PolarHBondContact O-N 3.38Å; D251-E255 WeakPolarHBondContact O-CB 3.15Å; D251-E255 PolarHBondContact O-N 3.05Å |
| 252 | I | 49.8 | Very low | 48.9 | Very low | 85 Ų | 85 | 132 Ų | 132 | 44% | 0.436 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.9 | -40.6 | 175 | -67.5 | 164.8 | 0 | 0 | 0 | 111.7 | M248 M250 E254 E255 E256 | M248-I252 HydrophobicContact CG-CD1 3.93Å; M248-I252 WeakPolarHBondContact O-CB 3.43Å; M248-I252 WeakPolarHBondContact O-CD1 3.46Å; M248-I252 WeakPolarHBondContact O-CG1 3.35Å; M248-I252 PolarHBondContact O-N 2.82Å; M250-I252 PolarHBondContact O-N 3.11Å; I252-E254 VanDerWaalsContact C-N 3.33Å; I252-E254 PolarHBondContact O-N 3.41Å; I252-E255 PolarHBondContact O-N 3.33Å; I252-E256 PolarHBondContact O-N 3.01Å |
| 253 | S | 53 | Low | 49.8 | Very low | 58 Ų | 58 | 128.1 Ų | 128.1 | 41% | 0.406 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.2 | -28.7 | 178.3 | -63 | 0 | 0 | 0 | 0 | 113 | V249 M250 K257 | V249-S253 VanDerWaalsContact O-CB 3.3Å; V249-S253 WeakPolarHBondContact O-CB 3.39Å; V249-S253 PolarHBondContact O-N 3.27Å; V249-S253 PolarHBondContact O-OG 3.3Å; M250-S253 PolarHBondContact O-N 3.48Å; S253-K257 WeakPolarHBondContact O-CB 3.4Å; S253-K257 PolarHBondContact O-N 3.44Å |
| 254 | E | 52.2 | Low | 50.1 | Low | 121 Ų | 121 | 127.9 Ų | 127.9 | 57% | 0.565 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.8 | -37 | 171.4 | -92.3 | -175.8 | 157.7 | 0 | 0 | 111.8 | M250 D251 I252 K257 N258 | M250-E254 PolarHBondContact O-N 2.95Å; D251-E254 PolarHBondContact O-N 3.38Å; I252-E254 VanDerWaalsContact C-N 3.33Å; I252-E254 PolarHBondContact O-N 3.41Å; E254-K257 PolarHBondContact O-N 3.28Å; E254-N258 WeakPolarHBondContact O-CB 3.32Å; E254-N258 PolarHBondContact O-N 3.32Å; E254-N258 VanDerWaalsContact O-N 3.09Å |
| 255 | E | 47.4 | Very low | 50.1 | Low | 148 Ų | 148 | 122.8 Ų | 122.8 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.9 | -43.7 | 173.4 | -125 | 167.7 | -176.1 | 0 | 0 | 111.6 | D251 I252 K257 N258 E259 | D251-E255 WeakPolarHBondContact O-CB 3.15Å; D251-E255 PolarHBondContact O-N 3.05Å; I252-E255 PolarHBondContact O-N 3.33Å; E255-K257 VanDerWaalsContact C-N 3.3Å; E255-K257 PolarHBondContact O-N 2.82Å; E255-N258 PolarHBondContact O-N 3.02Å; E255-N258 VanDerWaalsContact O-N 3.16Å; E255-E259 PolarHBondContact O-N 3.32Å |
| 256 | E | 42.8 | Very low | 50.8 | Low | 143 Ų | 143 | 116.4 Ų | 116.4 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.7 | -26.4 | 174.5 | -77.4 | -170.9 | 123.5 | 0 | 0 | 113.5 | I252 | I252-E256 PolarHBondContact O-N 3.01Å |
| 257 | K | 48.1 | Very low | 51.3 | Low | 187 Ų | 187 | 114.1 Ų | 114.1 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -79.1 | -23.7 | 173.6 | -91.4 | 179.7 | 177.1 | 172.7 | 0 | 113.2 | S253 E254 E255 | S253-K257 WeakPolarHBondContact O-CB 3.4Å; S253-K257 PolarHBondContact O-N 3.44Å; E254-K257 PolarHBondContact O-N 3.28Å; E255-K257 VanDerWaalsContact C-N 3.3Å; E255-K257 PolarHBondContact O-N 2.82Å |
| 258 | N | 44.5 | Very low | 52.2 | Low | 144 Ų | 144 | 111.6 Ų | 111.6 | 77% | 0.77 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -103.4 | -5.2 | -174.5 | -146.3 | 27.8 | 0 | 0 | 0 | 113.2 | E254 E255 K260 | E254-N258 WeakPolarHBondContact O-CB 3.32Å; E254-N258 PolarHBondContact O-N 3.32Å; E254-N258 VanDerWaalsContact O-N 3.09Å; E255-N258 PolarHBondContact O-N 3.02Å; E255-N258 VanDerWaalsContact O-N 3.16Å; N258-K260 PolarHBondContact O-N 3.19Å; N258-K260 VanDerWaalsContact O-N 3.16Å |
| 259 | E | 42.3 | Very low | 53.6 | Low | 149 Ų | 149 | 112.7 Ų | 112.7 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -68.3 | 107.3 | 165.8 | -113.8 | -173.6 | 167.9 | 0 | 0 | 109.9 | E255 L261 | E255-E259 PolarHBondContact O-N 3.32Å; E259-L261 PolarHBondContact O-N 3.37Å |
| 260 | K | 45.7 | Very low | 54.8 | Low | 186 Ų | 186 | 112.7 Ų | 112.7 | 81% | 0.809 | 58% | 0.579 | S | S | * | * | trans | -59.1 | 100.4 | 171.2 | -87.2 | 178.2 | 169.9 | -178.4 | 0 | 109.4 | N258 E262 | N258-K260 PolarHBondContact O-N 3.19Å; N258-K260 VanDerWaalsContact O-N 3.16Å; K260-E262 PolarHBondContact O-N 2.93Å; K260-E262 VanDerWaalsContact O-N 3.09Å | ||
| 261 | L | 46.6 | Very low | 55.9 | Low | 104 Ų | 104 | 110.9 Ų | 110.9 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | trans | -63.5 | 107.4 | 164 | -64.2 | 170.3 | 0 | 0 | 0 | 107.9 | E259 A266 | E259-L261 PolarHBondContact O-N 3.37Å; L261-A266 HydrophobicContact CB-CB 4.22Å; L261-A266 WeakPolarHBondContact O-CB 3.44Å | ||
| 262 | E | 45.8 | Very low | 57.3 | Low | 180 Ų | 180 | 113 Ų | 113 | 84% | 0.841 | 58% | 0.575 | S | S | * | * | trans | -95.3 | 144.7 | 170.3 | -80.5 | -172.5 | 151 | 0 | 0 | 111 | K260 | K260-E262 PolarHBondContact O-N 2.93Å; K260-E262 VanDerWaalsContact O-N 3.09Å | ||
| 263 | G | 61.4 | Low | 58.8 | Low | 46 Ų | 46 | 114.3 Ų | 114.3 | 47% | 0.474 | 58% | 0.579 | S | S | . | * | S | Bend | trans | 97.3 | -156.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A265 A266 L267 | G263-A265 PolarHBondContact O-N 3.39Å; G263-A265 VanDerWaalsContact O-N 3.14Å; G263-A266 PolarHBondContact O-N 3.1Å; G263-A266 VanDerWaalsContact O-N 3.16Å; G263-L267 PolarHBondContact O-N 3.09Å |
| 264 | D | 56.1 | Low | 60.2 | Low | 124 Ų | 124 | 114.3 Ų | 114.3 | 66% | 0.663 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.1 | -24.7 | -171.2 | -75 | -4.3 | 0 | 0 | 0 | 114.2 | N268 | D264-N268 WeakPolarHBondContact O-CB 3.43Å; D264-N268 PolarHBondContact O-N 3.42Å; D264-N268 PolarHBondContact O-ND2 3.28Å |
| 265 | A | 59.7 | Low | 61.5 | Low | 62 Ų | 62 | 112.9 Ų | 112.9 | 51% | 0.512 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.4 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G263 K269 | G263-A265 PolarHBondContact O-N 3.39Å; G263-A265 VanDerWaalsContact O-N 3.14Å; A265-K269 WeakPolarHBondContact O-CB 3.34Å; A265-K269 PolarHBondContact O-N 2.82Å |
| 266 | A | 64.4 | Low | 63 | Low | 35 Ų | 35 | 109.8 Ų | 109.8 | 29% | 0.289 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.8 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L261 G263 K269 L270 | L261-A266 HydrophobicContact CB-CB 4.22Å; L261-A266 WeakPolarHBondContact O-CB 3.44Å; G263-A266 PolarHBondContact O-N 3.1Å; G263-A266 VanDerWaalsContact O-N 3.16Å; A266-K269 PolarHBondContact O-N 3.23Å; A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 PolarHBondContact O-N 2.89Å |
| 267 | L | 64.1 | Low | 64.9 | Low | 85 Ų | 85 | 109 Ų | 109 | 45% | 0.445 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -44.6 | 173.7 | -74.2 | 171.7 | 0 | 0 | 0 | 111.6 | G263 K269 L270 F271 | G263-L267 PolarHBondContact O-N 3.09Å; L267-K269 VanDerWaalsContact C-N 3.33Å; L267-K269 PolarHBondContact O-N 3.2Å; L267-L270 WeakPolarHBondContact O-CB 3.32Å; L267-L270 PolarHBondContact O-N 3.21Å; L267-F271 HydrophobicContact CB-CE2 4.09Å; L267-F271 WeakPolarHBondContact O-CD2 3.41Å; L267-F271 WeakPolarHBondContact O-CG 3.34Å; L267-F271 PolarHBondContact O-N 3.28Å |
| 268 | N | 71.6 | Confident | 66.4 | Low | 89 Ų | 89 | 100.8 Ų | 100.8 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176 | -81.4 | -50 | 0 | 0 | 0 | 112.4 | D264 L270 F271 Q272 | D264-N268 WeakPolarHBondContact O-CB 3.43Å; D264-N268 PolarHBondContact O-N 3.42Å; D264-N268 PolarHBondContact O-ND2 3.28Å; N268-L270 VanDerWaalsContact C-N 3.33Å; N268-F271 PolarHBondContact O-N 3.5Å; N268-Q272 WeakPolarHBondContact O-CG 3.44Å; N268-Q272 PolarHBondContact O-N 3.38Å |
| 269 | K | 75.9 | Confident | 68.3 | Low | 130 Ų | 130 | 97.3 Ų | 97.3 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 175.1 | -163.9 | 175.4 | -176.5 | 177.7 | 0 | 111.6 | A265 A266 L267 Q272 Q273 | A265-K269 WeakPolarHBondContact O-CB 3.34Å; A265-K269 PolarHBondContact O-N 2.82Å; A266-K269 PolarHBondContact O-N 3.23Å; L267-K269 VanDerWaalsContact C-N 3.33Å; L267-K269 PolarHBondContact O-N 3.2Å; K269-Q272 PolarHBondContact O-N 3.13Å; K269-Q273 WeakPolarHBondContact O-CB 3.3Å; K269-Q273 PolarHBondContact O-N 3.03Å |
| 270 | L | 78.1 | Confident | 70.3 | Confident | 86 Ų | 86 | 96.3 Ų | 96.3 | 45% | 0.45 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 173.8 | -178.3 | 65.4 | 0 | 0 | 0 | 111.7 | A266 L267 N268 Q273 I274 | A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 PolarHBondContact O-N 2.89Å; L267-L270 WeakPolarHBondContact O-CB 3.32Å; L267-L270 PolarHBondContact O-N 3.21Å; N268-L270 VanDerWaalsContact C-N 3.33Å; L270-Q273 PolarHBondContact O-N 3.13Å; L270-I274 HydrophobicContact CD1-CD1 4.22Å; L270-I274 HydrophobicContact CD1-CG1 4.5Å; L270-I274 HydrophobicContact CG-CD1 3.95Å; L270-I274 VanDerWaalsContact O-CG1 3.27Å; L270-I274 WeakPolarHBondContact O-CG1 3.5Å; L270-I274 PolarHBondContact O-N 3.46Å |
| 271 | F | 75.6 | Confident | 72.2 | Confident | 82 Ų | 82 | 91.8 Ų | 91.8 | 36% | 0.36 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 177 | -65.9 | -49.9 | 0 | 0 | 0 | 112.8 | L267 N268 Q273 I274 Y275 L298 | L267-F271 HydrophobicContact CB-CE2 4.09Å; L267-F271 WeakPolarHBondContact O-CD2 3.41Å; L267-F271 WeakPolarHBondContact O-CG 3.34Å; L267-F271 PolarHBondContact O-N 3.28Å; N268-F271 PolarHBondContact O-N 3.5Å; F271-Q273 VanDerWaalsContact C-N 3.3Å; F271-Q273 PolarHBondContact O-N 3.47Å; F271-I274 PolarHBondContact O-N 2.88Å; F271-Y275 WeakPolarHBondContact O-CB 3.48Å; F271-Y275 PolarHBondContact O-N 2.93Å; F271-L298 HydrophobicContact CB-CD2 4.31Å; F271-L298 HydrophobicContact CD1-CD2 3.27Å; F271-L298 HydrophobicContact CD2-CD2 4.41Å; F271-L298 HydrophobicContact CE1-CD2 3.55Å; F271-L298 HydrophobicContact CG-CD2 3.76Å; F271-L298 HydrophobicContact CZ-CD2 4.24Å |
| 272 | Q | 79.1 | Confident | 73.9 | Confident | 130 Ų | 130 | 88.3 Ų | 88.3 | 61% | 0.607 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 174.1 | -73.5 | 175.5 | 13.6 | 0 | 0 | 111.6 | N268 K269 Y275 S276 | N268-Q272 WeakPolarHBondContact O-CG 3.44Å; N268-Q272 PolarHBondContact O-N 3.38Å; K269-Q272 PolarHBondContact O-N 3.13Å; Q272-Y275 PolarHBondContact O-N 3.45Å; Q272-S276 WeakPolarHBondContact O-CB 3.3Å; Q272-S276 PolarHBondContact O-N 3.05Å; Q272-S276 PolarHBondContact O-OG 3.38Å |
| 273 | Q | 81.3 | Confident | 75.8 | Confident | 111 Ų | 111 | 82.4 Ų | 82.4 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.7 | -46.7 | 176.7 | -170.6 | 174.8 | -17.6 | 0 | 0 | 111.6 | K269 L270 F271 Y275 S276 D277 | K269-Q273 WeakPolarHBondContact O-CB 3.3Å; K269-Q273 PolarHBondContact O-N 3.03Å; L270-Q273 PolarHBondContact O-N 3.13Å; F271-Q273 VanDerWaalsContact C-N 3.3Å; F271-Q273 PolarHBondContact O-N 3.47Å; Q273-Y275 VanDerWaalsContact C-N 3.27Å; Q273-Y275 PolarHBondContact O-N 3.31Å; Q273-S276 PolarHBondContact O-N 3.49Å; Q273-S276 VanDerWaalsContact O-N 3.12Å; Q273-D277 WeakPolarHBondContact CG-OD2 3.4Å; Q273-D277 WeakPolarHBondContact O-CB 3.21Å; Q273-D277 PolarHBondContact O-N 3.38Å |
| 274 | I | 80.8 | Confident | 76.9 | Confident | 58 Ų | 58 | 87.1 Ų | 87.1 | 30% | 0.297 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 176.4 | -67 | 166.4 | 0 | 0 | 0 | 111.4 | L270 F271 G278 V282 M286 T300 | L270-I274 HydrophobicContact CD1-CD1 4.22Å; L270-I274 HydrophobicContact CD1-CG1 4.5Å; L270-I274 HydrophobicContact CG-CD1 3.95Å; L270-I274 VanDerWaalsContact O-CG1 3.27Å; L270-I274 WeakPolarHBondContact O-CG1 3.5Å; L270-I274 PolarHBondContact O-N 3.46Å; F271-I274 PolarHBondContact O-N 2.88Å; I274-G278 VanDerWaalsContact O-CA 3.27Å; I274-G278 WeakPolarHBondContact O-CA 3.24Å; I274-G278 PolarHBondContact O-N 3.35Å; I274-V282 HydrophobicContact CG2-CG1 4.36Å; I274-M286 HydrophobicContact CG2-CE 4.27Å; I274-M286 HydrophobicContact CG2-SD 3.97Å; I274-T300 HydrophobicContact CG2-CG2 3.78Å |
| 275 | Y | 79.8 | Confident | 78.4 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 36% | 0.357 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 175.7 | -169.1 | -92.9 | 0 | 0 | 0 | 112 | F271 Q272 Q273 K283 M286 N287 | F271-Y275 WeakPolarHBondContact O-CB 3.48Å; F271-Y275 PolarHBondContact O-N 2.93Å; Q272-Y275 PolarHBondContact O-N 3.45Å; Q273-Y275 VanDerWaalsContact C-N 3.27Å; Q273-Y275 PolarHBondContact O-N 3.31Å; Y275-K283 HydrophobicContact CD2-CB 4.36Å; Y275-K283 HydrophobicContact CD2-CG 4.04Å; Y275-K283 HydrophobicContact CE1-CG 4.4Å; Y275-K283 HydrophobicContact CE2-CB 3.82Å; Y275-K283 HydrophobicContact CE2-CG 3.86Å; Y275-K283 HydrophobicContact CG-CG 4.39Å; Y275-K283 WeakPolarHBondContact O-CE 3.43Å; Y275-M286 HydrophobicContact CD2-CB 4.47Å; Y275-M286 HydrophobicContact CD2-CE 4.28Å; Y275-M286 HydrophobicContact CD2-SD 4.06Å; Y275-N287 PolarHBondContact OH-ND2 3.15Å |
| 276 | S | 79.8 | Confident | 79.6 | Confident | 83 Ų | 83 | 78.6 Ų | 78.6 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -70.2 | -44.9 | -179.2 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | Q272 Q273 | Q272-S276 WeakPolarHBondContact O-CB 3.3Å; Q272-S276 PolarHBondContact O-N 3.05Å; Q272-S276 PolarHBondContact O-OG 3.38Å; Q273-S276 PolarHBondContact O-N 3.49Å; Q273-S276 VanDerWaalsContact O-N 3.12Å |
| 277 | D | 81.7 | Confident | 80.6 | Confident | 127 Ų | 127 | 80.8 Ų | 80.8 | 68% | 0.679 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -84.9 | -12.5 | -177.9 | -65.3 | -18.9 | 0 | 0 | 0 | 113 | Q273 | Q273-D277 WeakPolarHBondContact CG-OD2 3.4Å; Q273-D277 WeakPolarHBondContact O-CB 3.21Å; Q273-D277 PolarHBondContact O-N 3.38Å |
| 278 | G | 80.6 | Confident | 81.6 | Confident | 14 Ų | 14 | 78.7 Ų | 78.7 | 14% | 0.144 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -72 | 145.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | I274 K283 | I274-G278 VanDerWaalsContact O-CA 3.27Å; I274-G278 WeakPolarHBondContact O-CA 3.24Å; I274-G278 PolarHBondContact O-N 3.35Å; G278-K283 WeakPolarHBondContact O-CE 3.46Å; G278-K283 PolarHBondContact O-NZ 3.08Å |
| 279 | S | 84.6 | Confident | 82.2 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | trans | -64.8 | 163.4 | 169.3 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | D281 V282 K283 | S279-D281 PolarHBondContact O-N 3.13Å; S279-D281 VanDerWaalsContact O-N 3.15Å; S279-V282 WeakPolarHBondContact O-CA 3.38Å; S279-V282 WeakPolarHBondContact O-CB 3.33Å; S279-V282 PolarHBondContact O-N 3.47Å; S279-K283 PolarHBondContact O-N 2.96Å | ||
| 280 | D | 83.7 | Confident | 82.6 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 68% | 0.684 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.2 | -33.3 | -178.2 | -74.3 | -9.4 | 0 | 0 | 0 | 112.8 | K283 R284 | D280-K283 PolarHBondContact O-N 2.88Å; D280-R284 VanDerWaalsContact O-CB 3.24Å; D280-R284 WeakPolarHBondContact O-CB 3.34Å; D280-R284 PolarHBondContact O-N 3.24Å |
| 281 | D | 84.8 | Confident | 82.7 | Confident | 92 Ų | 92 | 76.5 Ų | 76.5 | 49% | 0.492 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 174.2 | -75.7 | -18.9 | 0 | 0 | 0 | 112.4 | S279 R284 A285 W302 | S279-D281 PolarHBondContact O-N 3.13Å; S279-D281 VanDerWaalsContact O-N 3.15Å; D281-R284 PolarHBondContact O-N 3.34Å; D281-A285 WeakPolarHBondContact O-CB 3.5Å; D281-A285 PolarHBondContact O-N 3.29Å; D281-W302 HydrophobicContact CB-CB 3.98Å; D281-W302 HydrophobicContact CB-CG 4.39Å |
| 282 | V | 83.6 | Confident | 83.1 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 176 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | I274 S279 R284 A285 M286 T300 | I274-V282 HydrophobicContact CG2-CG1 4.36Å; S279-V282 WeakPolarHBondContact O-CA 3.38Å; S279-V282 WeakPolarHBondContact O-CB 3.33Å; S279-V282 PolarHBondContact O-N 3.47Å; V282-R284 VanDerWaalsContact C-N 3.29Å; V282-R284 PolarHBondContact O-N 3.49Å; V282-A285 PolarHBondContact O-N 2.85Å; V282-M286 HydrophobicContact CG1-CG 4.43Å; V282-M286 HydrophobicContact CG1-SD 3.89Å; V282-M286 WeakPolarHBondContact O-CB 3.49Å; V282-M286 VanDerWaalsContact O-CG 3.26Å; V282-M286 WeakPolarHBondContact O-CG 3.48Å; V282-M286 PolarHBondContact O-N 3.31Å; V282-T300 HydrophobicContact CG1-CG2 3.98Å |
| 283 | K | 85 | Confident | 83.1 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 176.2 | -68.3 | 170.6 | 178.4 | 156.8 | 0 | 111.3 | Y275 G278 S279 D280 M286 N287 | Y275-K283 HydrophobicContact CD2-CB 4.36Å; Y275-K283 HydrophobicContact CD2-CG 4.04Å; Y275-K283 HydrophobicContact CE1-CG 4.4Å; Y275-K283 HydrophobicContact CE2-CB 3.82Å; Y275-K283 HydrophobicContact CE2-CG 3.86Å; Y275-K283 HydrophobicContact CG-CG 4.39Å; Y275-K283 WeakPolarHBondContact O-CE 3.43Å; G278-K283 WeakPolarHBondContact O-CE 3.46Å; G278-K283 PolarHBondContact O-NZ 3.08Å; S279-K283 PolarHBondContact O-N 2.96Å; D280-K283 PolarHBondContact O-N 2.88Å; K283-M286 PolarHBondContact O-N 2.86Å; K283-N287 WeakPolarHBondContact O-CB 3.32Å; K283-N287 VanDerWaalsContact O-CG 3.27Å; K283-N287 PolarHBondContact O-N 3.47Å; K283-N287 PolarHBondContact O-ND2 3.12Å |
| 284 | R | 85 | Confident | 82.8 | Confident | 146 Ų | 146 | 66.6 Ų | 66.6 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 178.1 | -157.3 | -175.3 | 177.8 | -173.1 | -2.5 | 111.7 | D280 D281 V282 K288 W302 | D280-R284 VanDerWaalsContact O-CB 3.24Å; D280-R284 WeakPolarHBondContact O-CB 3.34Å; D280-R284 PolarHBondContact O-N 3.24Å; D281-R284 PolarHBondContact O-N 3.34Å; V282-R284 VanDerWaalsContact C-N 3.29Å; V282-R284 PolarHBondContact O-N 3.49Å; R284-K288 VanDerWaalsContact O-CB 3.27Å; R284-K288 WeakPolarHBondContact O-CB 3.41Å; R284-K288 PolarHBondContact O-N 3.22Å; R284-W302 HydrophobicContact CB-CD2 4.34Å; R284-W302 HydrophobicContact CB-CE3 3.83Å; R284-W302 HydrophobicContact CB-CH2 4.4Å; R284-W302 HydrophobicContact CB-CZ3 3.86Å; R284-W302 VanDerWaalsContact CD-CH2 3.41Å; R284-W302 VanDerWaalsContact CD-CZ2 3.41Å; R284-W302 HydrophobicContact CG-CD2 4.37Å; R284-W302 HydrophobicContact CG-CE3 3.86Å; R284-W302 HydrophobicContact CG-CH2 3.52Å; R284-W302 HydrophobicContact CG-CZ2 4.06Å; R284-W302 HydrophobicContact CG-CZ3 3.41Å; R284-W302 VanDerWaalsContact CG-CZ3 3.41Å; R284-W302 VanDerWaalsContact NE-CH2 3.25Å; R284-W302 WeakPolarHBondContact O-CZ3 3.38Å |
| 285 | A | 86.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -47 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D281 V282 K288 S289 S299 W302 V305 | D281-A285 WeakPolarHBondContact O-CB 3.5Å; D281-A285 PolarHBondContact O-N 3.29Å; V282-A285 PolarHBondContact O-N 2.85Å; A285-K288 PolarHBondContact O-N 2.94Å; A285-S289 WeakPolarHBondContact O-CB 3.4Å; A285-S289 PolarHBondContact O-N 3.47Å; A285-S289 PolarHBondContact O-OG 3.43Å; A285-S299 CarbonylContact C-O 3.56Å; A285-S299 WeakPolarHBondContact CB-O 3.49Å; A285-W302 HydrophobicContact CB-CB 4.17Å; A285-W302 HydrophobicContact CB-CE3 3.98Å; A285-V305 HydrophobicContact CB-CG2 3.63Å |
| 286 | M | 85.1 | Confident | 82.5 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.034 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.5 | -48.6 | -179.9 | -72.5 | 176 | 79.4 | 0 | 0 | 111.4 | I274 Y275 V282 K283 K288 S289 F290 L298 S299 T300 | I274-M286 HydrophobicContact CG2-CE 4.27Å; I274-M286 HydrophobicContact CG2-SD 3.97Å; Y275-M286 HydrophobicContact CD2-CB 4.47Å; Y275-M286 HydrophobicContact CD2-CE 4.28Å; Y275-M286 HydrophobicContact CD2-SD 4.06Å; V282-M286 HydrophobicContact CG1-CG 4.43Å; V282-M286 HydrophobicContact CG1-SD 3.89Å; V282-M286 WeakPolarHBondContact O-CB 3.49Å; V282-M286 VanDerWaalsContact O-CG 3.26Å; V282-M286 WeakPolarHBondContact O-CG 3.48Å; V282-M286 PolarHBondContact O-N 3.31Å; K283-M286 PolarHBondContact O-N 2.86Å; M286-K288 PolarHBondContact O-N 3.39Å; M286-S289 PolarHBondContact O-OG 2.91Å; M286-F290 WeakPolarHBondContact O-CB 3.32Å; M286-F290 PolarHBondContact O-N 3.48Å; M286-L298 HydrophobicContact CB-CD1 3.87Å; M286-L298 HydrophobicContact CE-CD1 4.15Å; M286-L298 HydrophobicContact CE-CD2 3.68Å; M286-L298 HydrophobicContact CE-CG 4.11Å; M286-L298 HydrophobicContact CG-CD1 4.17Å; M286-L298 HydrophobicContact CG-CG 4.34Å; M286-S299 VanDerWaalsContact CA-O 3.27Å; M286-S299 WeakPolarHBondContact CA-O 3.49Å; M286-S299 WeakPolarHBondContact CG-O 3.45Å; M286-S299 PolarHBondContact N-O 2.67Å; M286-T300 HydrophobicContact CG-CG2 3.99Å; M286-T300 HydrophobicContact SD-CG2 4.04Å |
| 287 | N | 85.2 | Confident | 82.4 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 180 | -72.5 | -25.1 | 0 | 0 | 0 | 111.9 | Y275 K283 M291 | Y275-N287 PolarHBondContact OH-ND2 3.15Å; K283-N287 WeakPolarHBondContact O-CB 3.32Å; K283-N287 VanDerWaalsContact O-CG 3.27Å; K283-N287 PolarHBondContact O-N 3.47Å; K283-N287 PolarHBondContact O-ND2 3.12Å; N287-M291 WeakPolarHBondContact O-CB 3.33Å; N287-M291 PolarHBondContact O-N 3.07Å |
| 288 | K | 85 | Confident | 82.5 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 179.1 | -172.6 | -175.4 | 176.2 | -158.4 | 0 | 111.4 | R284 A285 M286 F290 M291 E292 W302 V305 G306 R308 | R284-K288 VanDerWaalsContact O-CB 3.27Å; R284-K288 WeakPolarHBondContact O-CB 3.41Å; R284-K288 PolarHBondContact O-N 3.22Å; A285-K288 PolarHBondContact O-N 2.94Å; M286-K288 PolarHBondContact O-N 3.39Å; K288-F290 VanDerWaalsContact C-N 3.35Å; K288-F290 PolarHBondContact O-N 3.42Å; K288-M291 PolarHBondContact O-N 3.39Å; K288-E292 WeakPolarHBondContact CE-OE1 3.28Å; K288-E292 HydrophobicContact CG-CG 4.31Å; K288-E292 IonicContact NZ-OE1 3.23Å; K288-E292 WeakPolarHBondContact O-CB 3.38Å; K288-E292 WeakPolarHBondContact O-CG 3.35Å; K288-E292 PolarHBondContact O-N 3.03Å; K288-W302 HydrophobicContact CB-CZ3 4Å; K288-W302 HydrophobicContact CD-CH2 3.87Å; K288-W302 HydrophobicContact CD-CZ3 3.8Å; K288-V305 WeakPolarHBondContact CD-O 3.47Å; K288-V305 WeakPolarHBondContact CE-O 3.45Å; K288-V305 PolarHBondContact NZ-O 3.49Å; K288-G306 PolarHBondContact NZ-O 3.22Å; K288-R308 PolarHBondContact NZ-O 3.02Å |
| 289 | S | 85.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | -178.5 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | A285 M286 S293 V297 L298 S299 | A285-S289 WeakPolarHBondContact O-CB 3.4Å; A285-S289 PolarHBondContact O-N 3.47Å; A285-S289 PolarHBondContact O-OG 3.43Å; M286-S289 PolarHBondContact O-OG 2.91Å; S289-S293 WeakPolarHBondContact O-CB 3.34Å; S289-S293 PolarHBondContact O-N 2.96Å; S289-S293 PolarHBondContact O-OG 3.17Å; S289-V297 CarbonylContact C-O 3.51Å; S289-V297 PolarHBondContact OG-O 2.87Å; S289-L298 WeakPolarHBondContact OG-CA 3.19Å; S289-S299 PolarHBondContact OG-N 2.73Å |
| 290 | F | 84.2 | Confident | 82.5 | Confident | 109 Ų | 109 | 58.9 Ų | 58.9 | 48% | 0.478 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 179.4 | -172 | -96.3 | 0 | 0 | 0 | 111.1 | M286 K288 S293 G294 G295 V297 L298 | M286-F290 WeakPolarHBondContact O-CB 3.32Å; M286-F290 PolarHBondContact O-N 3.48Å; K288-F290 VanDerWaalsContact C-N 3.35Å; K288-F290 PolarHBondContact O-N 3.42Å; F290-S293 PolarHBondContact O-OG 3.05Å; F290-G294 PolarHBondContact O-N 3.44Å; F290-G295 WeakPolarHBondContact CE2-O 3.2Å; F290-G295 WeakPolarHBondContact O-CA 3.47Å; F290-G295 PolarHBondContact O-N 3.45Å; F290-V297 WeakPolarHBondContact CA-O 3.43Å; F290-V297 PolarHBondContact N-O 3.32Å; F290-L298 HydrophobicContact CB-CD1 4Å; F290-L298 HydrophobicContact CD2-CD1 4.21Å; F290-L298 HydrophobicContact CG-CD1 4.5Å |
| 291 | M | 80.3 | Confident | 82.5 | Confident | 149 Ų | 149 | 57.1 Ų | 57.1 | 73% | 0.734 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.6 | -43.3 | -180 | -171.7 | 173.3 | 65.2 | 0 | 0 | 112.6 | N287 K288 G294 | N287-M291 WeakPolarHBondContact O-CB 3.33Å; N287-M291 PolarHBondContact O-N 3.07Å; K288-M291 PolarHBondContact O-N 3.39Å; M291-G294 PolarHBondContact O-N 3.26Å |
| 292 | E | 82.9 | Confident | 82.5 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.6 | -33.2 | -179.2 | -71.8 | -174.8 | 172.4 | 0 | 0 | 113.1 | K288 G294 K309 V310 | K288-E292 WeakPolarHBondContact CE-OE1 3.28Å; K288-E292 HydrophobicContact CG-CG 4.31Å; K288-E292 IonicContact NZ-OE1 3.23Å; K288-E292 WeakPolarHBondContact O-CB 3.38Å; K288-E292 WeakPolarHBondContact O-CG 3.35Å; K288-E292 PolarHBondContact O-N 3.03Å; E292-G294 VanDerWaalsContact C-N 3.3Å; E292-G294 PolarHBondContact O-N 2.74Å; E292-K309 WeakPolarHBondContact OE2-CA 3.35Å; E292-V310 CarbonylContact C-O 3.57Å; E292-V310 HydrophobicContact CB-CB 4.26Å; E292-V310 PolarHBondContact OE2-N 2.78Å |
| 293 | S | 79.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 5.7 | 178 | 69.2 | 0 | 0 | 0 | 0 | 114 | S289 F290 G295 T296 V297 V312 | S289-S293 WeakPolarHBondContact O-CB 3.34Å; S289-S293 PolarHBondContact O-N 2.96Å; S289-S293 PolarHBondContact O-OG 3.17Å; F290-S293 PolarHBondContact O-OG 3.05Å; S293-G295 PolarHBondContact O-N 3.48Å; S293-T296 PolarHBondContact O-N 2.91Å; S293-T296 PolarHBondContact O-OG1 3.12Å; S293-T296 PolarHBondContact OG-N 3.22Å; S293-V297 PolarHBondContact OG-N 3.26Å; S293-V297 PolarHBondContact OG-O 3.17Å; S293-V312 WeakPolarHBondContact O-CG1 3.29Å |
| 294 | G | 75 | Confident | 82.2 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 57% | 0.567 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 28.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F290 M291 E292 | F290-G294 PolarHBondContact O-N 3.44Å; M291-G294 PolarHBondContact O-N 3.26Å; E292-G294 VanDerWaalsContact C-N 3.3Å; E292-G294 PolarHBondContact O-N 2.74Å |
| 295 | G | 75.2 | Confident | 82.1 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 8.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | F290 S293 | F290-G295 WeakPolarHBondContact CE2-O 3.2Å; F290-G295 WeakPolarHBondContact O-CA 3.47Å; F290-G295 PolarHBondContact O-N 3.45Å; S293-G295 PolarHBondContact O-N 3.48Å |
| 296 | T | 78.2 | Confident | 81.7 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 30% | 0.301 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -99.3 | -19.8 | -172.9 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | S293 V312 K313 | S293-T296 PolarHBondContact O-N 2.91Å; S293-T296 PolarHBondContact O-OG1 3.12Å; S293-T296 PolarHBondContact OG-N 3.22Å; T296-V312 HydrophobicContact CG2-CG1 3.99Å; T296-K313 VanDerWaalsContact CB-O 3.31Å; T296-K313 WeakPolarHBondContact CB-O 3.25Å; T296-K313 PolarHBondContact OG1-N 3.09Å |
| 297 | V | 78.4 | Confident | 81.4 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | trans | -131.8 | 127.3 | -176.8 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | S289 F290 S293 V310 K313 | S289-V297 CarbonylContact C-O 3.51Å; S289-V297 PolarHBondContact OG-O 2.87Å; F290-V297 WeakPolarHBondContact CA-O 3.43Å; F290-V297 PolarHBondContact N-O 3.32Å; S293-V297 PolarHBondContact OG-N 3.26Å; S293-V297 PolarHBondContact OG-O 3.17Å; V297-V310 HydrophobicContact CB-CG1 3.84Å; V297-V310 HydrophobicContact CG1-CG1 3.74Å; V297-V310 HydrophobicContact CG2-CG1 4.37Å; V297-K313 HydrophobicContact CG2-CB 3.95Å | ||
| 298 | L | 83.2 | Confident | 81.2 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | trans | -120.3 | 122.3 | 177.1 | -164.5 | 71.7 | 0 | 0 | 0 | 110.7 | F271 M286 S289 F290 | F271-L298 HydrophobicContact CB-CD2 4.31Å; F271-L298 HydrophobicContact CD1-CD2 3.27Å; F271-L298 HydrophobicContact CD2-CD2 4.41Å; F271-L298 HydrophobicContact CE1-CD2 3.55Å; F271-L298 HydrophobicContact CG-CD2 3.76Å; F271-L298 HydrophobicContact CZ-CD2 4.24Å; M286-L298 HydrophobicContact CB-CD1 3.87Å; M286-L298 HydrophobicContact CE-CD1 4.15Å; M286-L298 HydrophobicContact CE-CD2 3.68Å; M286-L298 HydrophobicContact CE-CG 4.11Å; M286-L298 HydrophobicContact CG-CD1 4.17Å; M286-L298 HydrophobicContact CG-CG 4.34Å; S289-L298 WeakPolarHBondContact OG-CA 3.19Å; F290-L298 HydrophobicContact CB-CD1 4Å; F290-L298 HydrophobicContact CD2-CD1 4.21Å; F290-L298 HydrophobicContact CG-CD1 4.5Å | ||
| 299 | S | 81.4 | Confident | 80.8 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | trans | -127.7 | 140.9 | 178.5 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | A285 M286 S289 N301 | A285-S299 CarbonylContact C-O 3.56Å; A285-S299 WeakPolarHBondContact CB-O 3.49Å; M286-S299 VanDerWaalsContact CA-O 3.27Å; M286-S299 WeakPolarHBondContact CA-O 3.49Å; M286-S299 WeakPolarHBondContact CG-O 3.45Å; M286-S299 PolarHBondContact N-O 2.67Å; S289-S299 PolarHBondContact OG-N 2.73Å; S299-N301 PolarHBondContact OG-N 3.45Å | ||
| 300 | T | 83.9 | Confident | 80.6 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | trans | -100.4 | -1.7 | 179.7 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | I274 V282 M286 | I274-T300 HydrophobicContact CG2-CG2 3.78Å; V282-T300 HydrophobicContact CG1-CG2 3.98Å; M286-T300 HydrophobicContact CG-CG2 3.99Å; M286-T300 HydrophobicContact SD-CG2 4.04Å | ||
| 301 | N | 84.5 | Confident | 80.2 | Confident | 92 Ų | 92 | 65 Ų | 65 | 49% | 0.492 | 38% | 0.375 | S | S | . | . | trans | -104 | 100.9 | -174.4 | -174.7 | -6.5 | 0 | 0 | 0 | 112.3 | S299 G303 D304 V305 | S299-N301 PolarHBondContact OG-N 3.45Å; N301-G303 VanDerWaalsContact C-N 3.33Å; N301-G303 PolarHBondContact O-N 3.25Å; N301-G303 PolarHBondContact OD1-N 3Å; N301-G303 VanDerWaalsContact OD1-N 3.1Å; N301-D304 HydrophobicContact CB-CB 4.42Å; N301-D304 PolarHBondContact O-N 2.96Å; N301-V305 WeakPolarHBondContact O-CG2 3.29Å; N301-V305 PolarHBondContact O-N 2.94Å; N301-V305 VanDerWaalsContact O-N 3.15Å | ||
| 302 | W | 84.1 | Confident | 80 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -33.1 | 179.9 | -173.3 | -111.9 | 0 | 0 | 0 | 114.1 | D281 R284 A285 K288 D304 V305 G306 | D281-W302 HydrophobicContact CB-CB 3.98Å; D281-W302 HydrophobicContact CB-CG 4.39Å; R284-W302 HydrophobicContact CB-CD2 4.34Å; R284-W302 HydrophobicContact CB-CE3 3.83Å; R284-W302 HydrophobicContact CB-CH2 4.4Å; R284-W302 HydrophobicContact CB-CZ3 3.86Å; R284-W302 VanDerWaalsContact CD-CH2 3.41Å; R284-W302 VanDerWaalsContact CD-CZ2 3.41Å; R284-W302 HydrophobicContact CG-CD2 4.37Å; R284-W302 HydrophobicContact CG-CE3 3.86Å; R284-W302 HydrophobicContact CG-CH2 3.52Å; R284-W302 HydrophobicContact CG-CZ2 4.06Å; R284-W302 HydrophobicContact CG-CZ3 3.41Å; R284-W302 VanDerWaalsContact CG-CZ3 3.41Å; R284-W302 VanDerWaalsContact NE-CH2 3.25Å; R284-W302 WeakPolarHBondContact O-CZ3 3.38Å; A285-W302 HydrophobicContact CB-CB 4.17Å; A285-W302 HydrophobicContact CB-CE3 3.98Å; K288-W302 HydrophobicContact CB-CZ3 4Å; K288-W302 HydrophobicContact CD-CH2 3.87Å; K288-W302 HydrophobicContact CD-CZ3 3.8Å; W302-D304 PolarHBondContact O-N 3.46Å; W302-V305 HydrophobicContact CE3-CG2 4.33Å; W302-G306 VanDerWaalsContact O-CA 3.24Å; W302-G306 WeakPolarHBondContact O-CA 3.23Å; W302-G306 PolarHBondContact O-N 3.24Å |
| 303 | G | 83.6 | Confident | 79.4 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 63% | 0.629 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.5 | -27.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N301 | N301-G303 VanDerWaalsContact C-N 3.33Å; N301-G303 PolarHBondContact O-N 3.25Å; N301-G303 PolarHBondContact OD1-N 3Å; N301-G303 VanDerWaalsContact OD1-N 3.1Å |
| 304 | D | 78.4 | Confident | 79 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 34% | 0.337 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -90.7 | -54.7 | 178.7 | -179 | 35.9 | 0 | 0 | 0 | 111.8 | N301 W302 G306 R308 | N301-D304 HydrophobicContact CB-CB 4.42Å; N301-D304 PolarHBondContact O-N 2.96Å; W302-D304 PolarHBondContact O-N 3.46Å; D304-G306 VanDerWaalsContact C-N 3.34Å; D304-G306 PolarHBondContact O-N 3.43Å; D304-R308 VanDerWaalsContact CG-NE 3.27Å; D304-R308 WeakPolarHBondContact O-CG 3.34Å; D304-R308 WeakPolarHBondContact OD1-CD 3.48Å; D304-R308 IonicContact OD1-CZ 2.94Å; D304-R308 IonicContact OD1-NE 3.97Å; D304-R308 PolarHBondContact OD1-NE 3.01Å; D304-R308 IonicContact OD1-NH2 3.82Å; D304-R308 IonicContact OD2-CZ 2.66Å; D304-R308 IonicContact OD2-NE 2.79Å; D304-R308 PolarHBondContact OD2-NE 3.26Å; D304-R308 IonicContact OD2-NH2 3.69Å; D304-R308 PolarHBondContact OD2-NH2 3.26Å |
| 305 | V | 82.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -81.7 | -11 | -176.3 | -55.3 | 0 | 0 | 0 | 0 | 114.2 | A285 K288 N301 W302 T307 R308 V310 | A285-V305 HydrophobicContact CB-CG2 3.63Å; K288-V305 WeakPolarHBondContact CD-O 3.47Å; K288-V305 WeakPolarHBondContact CE-O 3.45Å; K288-V305 PolarHBondContact NZ-O 3.49Å; N301-V305 WeakPolarHBondContact O-CG2 3.29Å; N301-V305 PolarHBondContact O-N 2.94Å; N301-V305 VanDerWaalsContact O-N 3.15Å; W302-V305 HydrophobicContact CE3-CG2 4.33Å; V305-T307 VanDerWaalsContact C-N 3.35Å; V305-R308 VanDerWaalsContact O-O 3.09Å; V305-V310 HydrophobicContact CB-CG2 4.1Å; V305-V310 HydrophobicContact CG1-CG2 3.97Å |
| 306 | G | 78.6 | Confident | 78.1 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 24% | 0.237 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -37.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K288 W302 D304 | K288-G306 PolarHBondContact NZ-O 3.22Å; W302-G306 VanDerWaalsContact O-CA 3.24Å; W302-G306 WeakPolarHBondContact O-CA 3.23Å; W302-G306 PolarHBondContact O-N 3.24Å; D304-G306 VanDerWaalsContact C-N 3.34Å; D304-G306 PolarHBondContact O-N 3.43Å |
| 307 | T | 80 | Confident | 77.2 | Confident | 129 Ų | 129 | 81.5 Ų | 81.5 | 79% | 0.791 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -31.9 | -174.2 | 55 | 0 | 0 | 0 | 0 | 113.7 | V305 | V305-T307 VanDerWaalsContact C-N 3.35Š|
| 308 | R | 80.2 | Confident | 76.6 | Confident | 118 Ų | 118 | 83.6 Ų | 83.6 | 45% | 0.445 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -94.9 | 157.8 | 177.2 | 76.5 | -166 | 177.5 | 90.2 | -4.2 | 112.3 | K288 D304 V305 | K288-R308 PolarHBondContact NZ-O 3.02Å; D304-R308 VanDerWaalsContact CG-NE 3.27Å; D304-R308 WeakPolarHBondContact O-CG 3.34Å; D304-R308 WeakPolarHBondContact OD1-CD 3.48Å; D304-R308 IonicContact OD1-CZ 2.94Å; D304-R308 IonicContact OD1-NE 3.97Å; D304-R308 PolarHBondContact OD1-NE 3.01Å; D304-R308 IonicContact OD1-NH2 3.82Å; D304-R308 IonicContact OD2-CZ 2.66Å; D304-R308 IonicContact OD2-NE 2.79Å; D304-R308 PolarHBondContact OD2-NE 3.26Å; D304-R308 IonicContact OD2-NH2 3.69Å; D304-R308 PolarHBondContact OD2-NH2 3.26Å; V305-R308 VanDerWaalsContact O-O 3.09Å |
| 309 | K | 77.9 | Confident | 75.7 | Confident | 149 Ų | 149 | 88.8 Ų | 88.8 | 65% | 0.648 | 48% | 0.483 | S | S | * | . | trans | -85.3 | 139.3 | 170.5 | -170.3 | 174.8 | -178.9 | -179.5 | 0 | 109.4 | E292 | E292-K309 WeakPolarHBondContact OE2-CA 3.35Š| ||
| 310 | V | 79.7 | Confident | 74.9 | Confident | 7 Ų | 7 | 93.3 Ų | 93.3 | 4% | 0.042 | 50% | 0.5 | C | S | . | . | trans | -94.5 | 115.5 | 178 | -171.3 | 0 | 0 | 0 | 0 | 110 | E292 V297 V305 | E292-V310 CarbonylContact C-O 3.57Å; E292-V310 HydrophobicContact CB-CB 4.26Å; E292-V310 PolarHBondContact OE2-N 2.78Å; V297-V310 HydrophobicContact CB-CG1 3.84Å; V297-V310 HydrophobicContact CG1-CG1 3.74Å; V297-V310 HydrophobicContact CG2-CG1 4.37Å; V305-V310 HydrophobicContact CB-CG2 4.1Å; V305-V310 HydrophobicContact CG1-CG2 3.97Å | ||
| 311 | D | 75.9 | Confident | 73.8 | Confident | 118 Ų | 118 | 97.1 Ų | 97.1 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | trans | -76.4 | 150 | 178.2 | -62.7 | -55.1 | 0 | 0 | 0 | 112.2 | K313 | D311-K313 PolarHBondContact O-N 3.42Š| ||
| 312 | V | 76.4 | Confident | 72.8 | Confident | 52 Ų | 52 | 102 Ų | 102 | 32% | 0.315 | 53% | 0.527 | S | S | . | . | trans | -66.7 | 121.3 | 175.7 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | S293 T296 F320 | S293-V312 WeakPolarHBondContact O-CG1 3.29Å; T296-V312 HydrophobicContact CG2-CG1 3.99Å; V312-F320 HydrophobicContact CG1-CB 4.31Å; V312-F320 HydrophobicContact CG1-CD1 4.44Å; V312-F320 HydrophobicContact CG1-CD2 3.73Å; V312-F320 HydrophobicContact CG1-CE2 4.12Å; V312-F320 HydrophobicContact CG1-CG 3.9Å | ||
| 313 | K | 71.1 | Confident | 71.2 | Confident | 156 Ų | 156 | 112.2 Ų | 112.2 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | trans | -126.6 | 89.1 | 173.9 | -75.7 | -169.5 | 174.5 | -171.8 | 0 | 108.8 | T296 V297 D311 | T296-K313 VanDerWaalsContact CB-O 3.31Å; T296-K313 WeakPolarHBondContact CB-O 3.25Å; T296-K313 PolarHBondContact OG1-N 3.09Å; V297-K313 HydrophobicContact CG2-CB 3.95Å; D311-K313 PolarHBondContact O-N 3.42Å | ||
| 314 | P | 71.3 | Confident | 70.6 | Confident | 47 Ų | 47 | 114.8 Ų | 114.8 | 31% | 0.305 | 57% | 0.565 | S | S | . | * | trans | -66.8 | 156.2 | 179.9 | 31.9 | -35.3 | 0 | 0 | 0 | 110.7 | V318 F320 | P314-V318 WeakPolarHBondContact CB-O 3.35Å; P314-V318 WeakPolarHBondContact CG-O 3.45Å; P314-F320 HydrophobicContact CG-CB 4.21Å | ||
| 315 | P | 70 | Confident | 70.1 | Confident | 91 Ų | 91 | 117.5 Ų | 117.5 | 59% | 0.591 | 58% | 0.577 | S | S | * | * | trans | -56.4 | 151.8 | 173 | -22.9 | 33.8 | 0 | 0 | 0 | 111.8 | D317 V318 | P315-D317 PolarHBondContact O-N 2.98Å; P315-V318 PolarHBondContact O-N 3.24Å | ||
| 316 | D | 61.6 | Low | 69.4 | Low | 179 Ų | 179 | 124 Ų | 124 | 96% | 0.957 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -21.7 | -170.3 | -72.3 | -49.8 | 0 | 0 | 0 | 115 | ||
| 317 | D | 58.2 | Low | 68.9 | Low | 167 Ų | 167 | 129.9 Ų | 129.9 | 89% | 0.893 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 5.3 | 178.7 | -82.1 | -42.8 | 0 | 0 | 0 | 115.1 | P315 | P315-D317 PolarHBondContact O-N 2.98Š|
| 318 | V | 66.2 | Low | 68.2 | Low | 86 Ų | 86 | 130 Ų | 130 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | trans | -133.6 | 123.4 | -174 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | P314 P315 | P314-V318 WeakPolarHBondContact CB-O 3.35Å; P314-V318 WeakPolarHBondContact CG-O 3.45Å; P315-V318 PolarHBondContact O-N 3.24Å | ||
| 319 | E | 65 | Low | 67.4 | Low | 173 Ų | 173 | 130.8 Ų | 130.8 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | trans | -90.9 | 124.6 | 173.5 | -69.2 | -172.8 | 166.1 | 0 | 0 | 111.9 | K321 | E319-K321 PolarHBondContact O-N 3.23Š| ||
| 320 | F | 64.1 | Low | 66.7 | Low | 120 Ų | 120 | 129.5 Ų | 129.5 | 53% | 0.526 | 63% | 0.631 | S | S | . | * | trans | -73.7 | 111.1 | 175.3 | -175.2 | -93.6 | 0 | 0 | 0 | 110.9 | V312 P314 K322 | V312-F320 HydrophobicContact CG1-CB 4.31Å; V312-F320 HydrophobicContact CG1-CD1 4.44Å; V312-F320 HydrophobicContact CG1-CD2 3.73Å; V312-F320 HydrophobicContact CG1-CE2 4.12Å; V312-F320 HydrophobicContact CG1-CG 3.9Å; P314-F320 HydrophobicContact CG-CB 4.21Å; F320-K322 HydrophobicContact CE1-CB 4.27Å | ||
| 321 | K | 61.5 | Low | 65.7 | Low | 149 Ų | 149 | 138.9 Ų | 138.9 | 65% | 0.648 | 68% | 0.676 | S | S | * | * | trans | -94.4 | 121.4 | 172 | -78 | -175.9 | 177.6 | 174.6 | 0 | 111.2 | E319 Y323 | E319-K321 PolarHBondContact O-N 3.23Å; K321-Y323 HydrophobicContact CB-CE2 4.2Å | ||
| 322 | K | 62.1 | Low | 64.8 | Low | 194 Ų | 194 | 140.7 Ų | 140.7 | 84% | 0.843 | 68% | 0.68 | S | S | * | * | trans | -87.5 | 113.3 | 172.5 | -160.6 | 176.2 | -176 | -179.1 | 0 | 108.8 | F320 | F320-K322 HydrophobicContact CE1-CB 4.27Š| ||
| 323 | Y | 50.4 | Low | 63.8 | Low | 274 Ų | 274 | 148.7 Ų | 148.7 | 100% | 1.075 | 71% | 0.713 | S | S | * | * | trans | -86.8 | 0 | 172.5 | -74.6 | -88.5 | 0 | 0 | 0 | 111.2 | K321 | K321-Y323 HydrophobicContact CB-CE2 4.2Š|
Retrieved 323 of 323 residues in 89.8 ms
(Link to these results)