| 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 | 42 | Very low | 54.6 | Low | 239 Ų | 239 | 73.1 Ų | 73.1 | 100% | 1.177 | 36% | 0.364 | S | S | * | . | 0 | 121.4 | 0 | -63.7 | -176 | -163.3 | 0 | 0 | 105.8 | E3 | M1-E3 PolarHBondContact O-N 3.39Š| |||
| 2 | T | 52.9 | Low | 55.6 | Low | 132 Ų | 132 | 72.6 Ų | 72.6 | 81% | 0.81 | 36% | 0.358 | S | S | * | . | trans | -78.1 | 114.5 | 170.3 | 36.6 | 0 | 0 | 0 | 0 | 106.8 | E4 | T2-E4 PolarHBondContact O-N 3.43Å; T2-E4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | E | 53.4 | Low | 56.3 | Low | 138 Ų | 138 | 73.9 Ų | 73.9 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | trans | -62.4 | 112.1 | 168.7 | -71.4 | -180 | 161 | 0 | 0 | 107 | M1 F5 | M1-E3 PolarHBondContact O-N 3.39Å; E3-F5 HydrophobicContact CB-CD2 4.38Å; E3-F5 HydrophobicContact CB-CE2 3.69Å; E3-F5 HydrophobicContact CB-CZ 3.96Å; E3-F5 WeakPolarHBondContact O-CD2 3.05Å; E3-F5 WeakPolarHBondContact O-CE2 3.23Å; E3-F5 PolarHBondContact O-N 3.31Å; E3-F5 WeakPolarHBondContact OE2-CZ 3.47Å | ||
| 4 | E | 52.9 | Low | 57.4 | Low | 60 Ų | 60 | 71.1 Ų | 71.1 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | trans | -79.8 | 118.6 | 174.7 | -69.8 | -173.2 | 156.5 | 0 | 0 | 108.6 | T2 Y6 R27 | T2-E4 PolarHBondContact O-N 3.43Å; T2-E4 VanDerWaalsContact O-N 3.14Å; E4-Y6 HydrophobicContact CB-CD2 4.2Å; E4-Y6 HydrophobicContact CB-CE2 3.49Å; E4-Y6 VanDerWaalsContact CB-CE2 3.49Å; E4-Y6 VanDerWaalsContact O-CD2 3.28Å; E4-Y6 WeakPolarHBondContact O-CD2 3.47Å; E4-Y6 PolarHBondContact O-N 3.14Å; E4-Y6 PolarHBondContact OE2-OH 3.46Å; E4-R27 IonicContact OE1-NH2 2.69Å; E4-R27 PolarHBondContact OE1-NH2 3.07Å; E4-R27 IonicContact OE2-CZ 3.31Å; E4-R27 IonicContact OE2-NE 3.82Å; E4-R27 IonicContact OE2-NH2 2.72Å; E4-R27 PolarHBondContact OE2-NH2 2.94Å | ||
| 5 | F | 55.4 | Low | 58.5 | Low | 85 Ų | 85 | 72.2 Ų | 72.2 | 37% | 0.373 | 36% | 0.36 | S | S | . | . | trans | -96 | 86.2 | -174.7 | -74.5 | -84.9 | 0 | 0 | 0 | 111.5 | E3 I28 M61 | E3-F5 HydrophobicContact CB-CD2 4.38Å; E3-F5 HydrophobicContact CB-CE2 3.69Å; E3-F5 HydrophobicContact CB-CZ 3.96Å; E3-F5 WeakPolarHBondContact O-CD2 3.05Å; E3-F5 WeakPolarHBondContact O-CE2 3.23Å; E3-F5 PolarHBondContact O-N 3.31Å; E3-F5 WeakPolarHBondContact OE2-CZ 3.47Å; F5-I28 CarbonylContact C-O 3.25Å; F5-I28 VanDerWaalsContact C-O 3.25Å; F5-M61 HydrophobicContact CD1-SD 4.22Å; F5-M61 HydrophobicContact CE1-SD 4.11Å | ||
| 6 | Y | 56 | Low | 59.7 | Low | 16 Ų | 16 | 74.6 Ų | 74.6 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | trans | -71.8 | 135.2 | 176.2 | -60.4 | -104 | 0 | 0 | 0 | 111.7 | E4 R27 R60 I62 E64 | E4-Y6 HydrophobicContact CB-CD2 4.2Å; E4-Y6 HydrophobicContact CB-CE2 3.49Å; E4-Y6 VanDerWaalsContact CB-CE2 3.49Å; E4-Y6 VanDerWaalsContact O-CD2 3.28Å; E4-Y6 WeakPolarHBondContact O-CD2 3.47Å; E4-Y6 PolarHBondContact O-N 3.14Å; E4-Y6 PolarHBondContact OE2-OH 3.46Å; Y6-R27 HydrophobicContact CD1-CB 4.02Å; Y6-R27 HydrophobicContact CD1-CG 3.55Å; Y6-R27 HydrophobicContact CE1-CB 4.18Å; Y6-R27 HydrophobicContact CE1-CG 3.37Å; Y6-R27 PolarHBondContact OH-NE 3.46Å; Y6-R27 PolarHBondContact OH-NH1 3.47Å; Y6-R27 PolarHBondContact OH-NH2 3.28Å; Y6-R60 CarbonylContact C-O 3.59Å; Y6-R60 CarbonylContact O-C 3.45Å; Y6-I62 HydrophobicContact CD1-CB 4.05Å; Y6-I62 HydrophobicContact CD1-CD1 3.74Å; Y6-I62 HydrophobicContact CD1-CG1 4.26Å; Y6-I62 HydrophobicContact CD2-CB 3.6Å; Y6-I62 HydrophobicContact CD2-CG1 4.35Å; Y6-I62 VanDerWaalsContact CD2-O 3.32Å; Y6-I62 WeakPolarHBondContact CD2-O 3.29Å; Y6-I62 HydrophobicContact CE1-CB 4.43Å; Y6-I62 HydrophobicContact CE2-CB 4.11Å; Y6-I62 VanDerWaalsContact CE2-O 3.32Å; Y6-I62 WeakPolarHBondContact CE2-O 3.29Å; Y6-I62 HydrophobicContact CG-CB 3.58Å; Y6-I62 HydrophobicContact CG-CD1 3.81Å; Y6-I62 HydrophobicContact CG-CG1 3.85Å; Y6-E64 WeakPolarHBondContact OH-CG 3.42Å; Y6-E64 PolarHBondContact OH-OE1 2.79Å | ||
| 7 | I | 56 | Low | 60.7 | Low | 20 Ų | 20 | 76.9 Ų | 76.9 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -130.2 | 82.2 | -179.9 | -67.5 | -176.9 | 0 | 0 | 0 | 106.3 | I9 Q26 I28 C34 L37 P59 | I7-I9 HydrophobicContact CB-CD1 4.47Å; I7-I9 HydrophobicContact CG2-CD1 3.33Å; I7-I9 HydrophobicContact CG2-CG1 3.65Å; I7-I9 PolarHBondContact O-N 2.72Å; I7-Q26 CarbonylContact C-O 3.52Å; I7-I28 HydrophobicContact CB-CD1 4.09Å; I7-I28 HydrophobicContact CG2-CD1 4.37Å; I7-C34 HydrophobicContact CD1-CB 3.75Å; I7-C34 WeakPolarHBondContact CD1-SG 3.36Å; I7-L37 HydrophobicContact CG2-CD2 4.44Å; I7-P59 HydrophobicContact CG1-CB 4.4Å |
| 8 | Q | 53 | Low | 61.6 | Low | 69 Ų | 69 | 78.2 Ų | 78.2 | 32% | 0.322 | 41% | 0.414 | S | S | . | . | trans | -80.4 | 96.9 | 173.7 | 163.5 | 161.7 | 36.6 | 0 | 0 | 109.6 | S25 | Q8-S25 WeakPolarHBondContact CB-OG 3.31Å; Q8-S25 WeakPolarHBondContact CG-OG 3.44Å; Q8-S25 PolarHBondContact NE2-OG 2.9Å | ||
| 9 | I | 56.9 | Low | 62.1 | Low | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | trans | -158.4 | 123.2 | -177.1 | -31 | 174.3 | 0 | 0 | 0 | 117.5 | I7 Y24 I57 Q58 P59 | I7-I9 HydrophobicContact CB-CD1 4.47Å; I7-I9 HydrophobicContact CG2-CD1 3.33Å; I7-I9 HydrophobicContact CG2-CG1 3.65Å; I7-I9 PolarHBondContact O-N 2.72Å; I9-Y24 CarbonylContact C-O 3.01Å; I9-Y24 PolarHBondContact N-O 3.41Å; I9-I57 HydrophobicContact CB-CG2 3.92Å; I9-I57 HydrophobicContact CD1-CB 4.34Å; I9-I57 HydrophobicContact CD1-CG2 3.11Å; I9-I57 HydrophobicContact CG1-CG2 4.06Å; I9-I57 VanDerWaalsContact CG2-C 3.43Å; I9-I57 HydrophobicContact CG2-CB 3.87Å; I9-I57 HydrophobicContact CG2-CG1 4.29Å; I9-I57 HydrophobicContact CG2-CG2 3.62Å; I9-Q58 VanDerWaalsContact CG1-C 3.46Å; I9-Q58 WeakPolarHBondContact CG1-O 3.43Å; I9-P59 HydrophobicContact CD1-CB 3.69Å; I9-P59 VanDerWaalsContact CD1-CD 3.49Å; I9-P59 HydrophobicContact CD1-CG 4.14Å | ||
| 10 | I | 61.2 | Low | 62.5 | Low | 13 Ų | 13 | 77.5 Ų | 77.5 | 7% | 0.067 | 41% | 0.409 | C | S | . | . | -165.8 | 116.8 | 127.5 | -81.4 | 151.7 | 0 | 0 | 0 | 105.2 | N22 L23 Y24 L41 I55 | I10-N22 CarbonylContact O-C 3.56Å; I10-N22 WeakPolarHBondContact O-CA 3.47Å; I10-L23 HydrophobicContact CB-CB 4.11Å; I10-L23 HydrophobicContact CG2-CB 3.63Å; I10-L23 HydrophobicContact CG2-CD1 3.73Å; I10-L23 HydrophobicContact CG2-CG 3.96Å; I10-L23 PolarHBondContact O-N 2.69Å; I10-Y24 VanDerWaalsContact CD1-CB 3.41Å; I10-Y24 HydrophobicContact CD1-CG 4.24Å; I10-Y24 PolarHBondContact N-O 3.5Å; I10-L41 HydrophobicContact CD1-CD1 4.31Å; I10-L41 HydrophobicContact CD1-CD2 3.19Å; I10-L41 HydrophobicContact CD1-CG 4.37Å; I10-L41 HydrophobicContact CG1-CD1 4.05Å; I10-L41 HydrophobicContact CG1-CD2 3.69Å; I10-I55 HydrophobicContact CB-CG2 4.38Å; I10-I55 HydrophobicContact CG1-CG2 4.14Å; I10-I55 HydrophobicContact CG2-CD1 4.34Å; I10-I55 HydrophobicContact CG2-CG1 4.41Å; I10-I55 HydrophobicContact CG2-CG2 3.68Å | |||
| 11 | L | 60.7 | Low | 62.6 | Low | 30 Ų | 30 | 76.4 Ų | 76.4 | 16% | 0.157 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 110.2 | 174.4 | -73.5 | -178.6 | 0 | 0 | 0 | 109 | F20 D21 N22 F56 | L11-F20 HydrophobicContact CB-CB 3.77Å; L11-F20 HydrophobicContact CB-CD1 3.8Å; L11-F20 HydrophobicContact CB-CG 4.02Å; L11-F20 HydrophobicContact CD1-CB 4.03Å; L11-F20 HydrophobicContact CD1-CG 4.18Å; L11-F20 HydrophobicContact CD2-CB 3.68Å; L11-F20 HydrophobicContact CG-CB 4Å; L11-F20 HydrophobicContact CG-CG 4.5Å; L11-D21 CarbonylContact C-O 3.58Å; L11-D21 WeakPolarHBondContact CA-O 3.32Å; L11-N22 VanDerWaalsContact CD2-OD1 3.26Å; L11-N22 WeakPolarHBondContact CD2-OD1 3.32Å; L11-F56 HydrophobicContact CB-CB 4.13Å; L11-F56 PolarHBondContact N-O 3.19Å; L11-F56 PolarHBondContact O-N 3.33Å |
| 12 | K | 67.2 | Low | 63.8 | Low | 67 Ų | 67 | 69.7 Ų | 69.7 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 120.9 | 168.3 | 176 | -178.5 | 177.7 | -175.3 | 0 | 108.3 | N14 F20 D21 L23 N53 | K12-N14 PolarHBondContact O-N 2.7Å; K12-F20 CarbonylContact O-C 3.56Å; K12-F20 WeakPolarHBondContact O-CA 3.28Å; K12-D21 HydrophobicContact CB-CB 4.47Å; K12-D21 PolarHBondContact N-O 2.79Å; K12-D21 PolarHBondContact O-N 3Å; K12-L23 HydrophobicContact CB-CD1 3.57Å; K12-L23 HydrophobicContact CB-CD2 4.36Å; K12-L23 HydrophobicContact CB-CG 3.87Å; K12-L23 HydrophobicContact CD-CD1 4.15Å; K12-L23 HydrophobicContact CG-CD1 4.41Å; K12-N53 WeakPolarHBondContact CE-OD1 3.07Å |
| 13 | Y | 64.2 | Low | 64.2 | Low | 90 Ų | 90 | 67.8 Ų | 67.8 | 35% | 0.353 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 122.8 | 172 | -173.9 | -112.2 | 0 | 0 | 0 | 109.6 | P15 F20 | Y13-P15 HydrophobicContact CD1-CB 4.33Å; Y13-P15 HydrophobicContact CE1-CB 3.94Å; Y13-P15 VanDerWaalsContact O-CD 3.29Å; Y13-P15 WeakPolarHBondContact O-CD 3.48Å; Y13-F20 HydrophobicContact CD2-CD1 4.11Å; Y13-F20 AromaticContact CD2-CE1 3.78Å; Y13-F20 HydrophobicContact CD2-CE1 3.78Å; Y13-F20 HydrophobicContact CD2-CE2 4.32Å; Y13-F20 AromaticContact CD2-CZ 3.9Å; Y13-F20 HydrophobicContact CD2-CZ 3.9Å; Y13-F20 HydrophobicContact CG-CE1 4.22Å |
| 14 | N | 71.6 | Confident | 64.6 | Low | 34 Ų | 34 | 66 Ų | 66 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 97.4 | 175.5 | -170.9 | -32.1 | 0 | 0 | 0 | 108.2 | K12 S16 L17 C18 S19 D21 | K12-N14 PolarHBondContact O-N 2.7Å; N14-S16 PolarHBondContact O-N 2.94Å; N14-S16 WeakPolarHBondContact OD1-CB 3.42Å; N14-S16 PolarHBondContact OD1-N 2.99Å; N14-L17 HydrophobicContact CB-CB 4.37Å; N14-L17 PolarHBondContact O-N 2.61Å; N14-L17 VanDerWaalsContact O-N 3.09Å; N14-L17 PolarHBondContact OD1-N 3.46Å; N14-C18 PolarHBondContact O-N 3.36Å; N14-S19 PolarHBondContact N-O 3.32Å; N14-S19 PolarHBondContact O-N 3.39Å; N14-D21 WeakPolarHBondContact CB-OD2 3.32Å; N14-D21 PolarHBondContact ND2-OD2 3.48Å |
| 15 | P | 73.5 | Confident | 65.2 | Low | 88 Ų | 88 | 66.4 Ų | 66.4 | 57% | 0.571 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.1 | -175.5 | 24.5 | -33.2 | 0 | 0 | 0 | 112.5 | Y13 L17 | Y13-P15 HydrophobicContact CD1-CB 4.33Å; Y13-P15 HydrophobicContact CE1-CB 3.94Å; Y13-P15 VanDerWaalsContact O-CD 3.29Å; Y13-P15 WeakPolarHBondContact O-CD 3.48Å; P15-L17 VanDerWaalsContact C-N 3.31Å; P15-L17 PolarHBondContact O-N 3.2Å |
| 16 | S | 78.9 | Confident | 65.6 | Low | 110 Ų | 110 | 66 Ų | 66 | 77% | 0.769 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -27.2 | 177.6 | -54.2 | 0 | 0 | 0 | 0 | 113.1 | N14 | N14-S16 PolarHBondContact O-N 2.94Å; N14-S16 WeakPolarHBondContact OD1-CB 3.42Å; N14-S16 PolarHBondContact OD1-N 2.99Å |
| 17 | L | 76.7 | Confident | 65.9 | Low | 115 Ų | 115 | 70.5 Ų | 70.5 | 60% | 0.602 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -3.7 | -179 | -61.8 | 178.6 | 0 | 0 | 0 | 112.9 | N14 P15 S19 | N14-L17 HydrophobicContact CB-CB 4.37Å; N14-L17 PolarHBondContact O-N 2.61Å; N14-L17 VanDerWaalsContact O-N 3.09Å; N14-L17 PolarHBondContact OD1-N 3.46Å; P15-L17 VanDerWaalsContact C-N 3.31Å; P15-L17 PolarHBondContact O-N 3.2Å; L17-S19 VanDerWaalsContact CB-OG 3.29Å; L17-S19 WeakPolarHBondContact CB-OG 3.18Å; L17-S19 PolarHBondContact O-N 3.23Å; L17-S19 VanDerWaalsContact O-N 3.12Å |
| 18 | C | 76.3 | Confident | 66.3 | Low | 99 Ų | 99 | 69.6 Ų | 69.6 | 67% | 0.669 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 34.7 | -168.7 | -80.8 | 0 | 0 | 0 | 0 | 112.6 | N14 | N14-C18 PolarHBondContact O-N 3.36Š|
| 19 | S | 71.5 | Confident | 66.8 | Low | 45 Ų | 45 | 70.2 Ų | 70.2 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 169.6 | -175.8 | 69.1 | 0 | 0 | 0 | 0 | 111 | N14 L17 | N14-S19 PolarHBondContact N-O 3.32Å; N14-S19 PolarHBondContact O-N 3.39Å; L17-S19 VanDerWaalsContact CB-OG 3.29Å; L17-S19 WeakPolarHBondContact CB-OG 3.18Å; L17-S19 PolarHBondContact O-N 3.23Å; L17-S19 VanDerWaalsContact O-N 3.12Å |
| 20 | F | 69.8 | Low | 67.2 | Low | 97 Ų | 97 | 75.9 Ų | 75.9 | 43% | 0.425 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.3 | 172.8 | -67.5 | -83.2 | 0 | 0 | 0 | 110.5 | L11 K12 Y13 F56 | L11-F20 HydrophobicContact CB-CB 3.77Å; L11-F20 HydrophobicContact CB-CD1 3.8Å; L11-F20 HydrophobicContact CB-CG 4.02Å; L11-F20 HydrophobicContact CD1-CB 4.03Å; L11-F20 HydrophobicContact CD1-CG 4.18Å; L11-F20 HydrophobicContact CD2-CB 3.68Å; L11-F20 HydrophobicContact CG-CB 4Å; L11-F20 HydrophobicContact CG-CG 4.5Å; K12-F20 CarbonylContact O-C 3.56Å; K12-F20 WeakPolarHBondContact O-CA 3.28Å; Y13-F20 HydrophobicContact CD2-CD1 4.11Å; Y13-F20 AromaticContact CD2-CE1 3.78Å; Y13-F20 HydrophobicContact CD2-CE1 3.78Å; Y13-F20 HydrophobicContact CD2-CE2 4.32Å; Y13-F20 AromaticContact CD2-CZ 3.9Å; Y13-F20 HydrophobicContact CD2-CZ 3.9Å; Y13-F20 HydrophobicContact CG-CE1 4.22Å; F20-F56 HydrophobicContact CD1-CD2 4.27Å; F20-F56 AromaticContact CE1-CD2 3.48Å; F20-F56 HydrophobicContact CE1-CD2 3.48Å; F20-F56 VanDerWaalsContact CE1-CD2 3.48Å; F20-F56 AromaticContact CE1-CE2 3.86Å; F20-F56 HydrophobicContact CE1-CE2 3.86Å; F20-F56 HydrophobicContact CE1-CG 4.14Å; F20-F56 HydrophobicContact CZ-CD2 4.31Å; F20-F56 HydrophobicContact CZ-CE2 4.44Å |
| 21 | D | 64.9 | Low | 67.4 | Low | 56 Ų | 56 | 79.8 Ų | 79.8 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.7 | 173 | -67.5 | -27.3 | 0 | 0 | 0 | 109.4 | L11 K12 N14 L23 | L11-D21 CarbonylContact C-O 3.58Å; L11-D21 WeakPolarHBondContact CA-O 3.32Å; K12-D21 HydrophobicContact CB-CB 4.47Å; K12-D21 PolarHBondContact N-O 2.79Å; K12-D21 PolarHBondContact O-N 3Å; N14-D21 WeakPolarHBondContact CB-OD2 3.32Å; N14-D21 PolarHBondContact ND2-OD2 3.48Å; D21-L23 HydrophobicContact CB-CD2 4.48Å; D21-L23 PolarHBondContact O-N 2.9Å |
| 22 | N | 66.4 | Low | 67.7 | Low | 97 Ų | 97 | 84 Ų | 84 | 52% | 0.519 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 104.4 | 170.2 | -103.6 | -32.1 | 0 | 0 | 0 | 109 | I10 L11 | I10-N22 CarbonylContact O-C 3.56Å; I10-N22 WeakPolarHBondContact O-CA 3.47Å; L11-N22 VanDerWaalsContact CD2-OD1 3.26Å; L11-N22 WeakPolarHBondContact CD2-OD1 3.32Å |
| 23 | L | 61.9 | Low | 67.7 | Low | 92 Ų | 92 | 85.1 Ų | 85.1 | 48% | 0.482 | 45% | 0.451 | S | S | . | . | trans | -86.1 | -28.6 | 177.6 | -60.1 | -178.8 | 0 | 0 | 0 | 112.6 | I10 K12 D21 | I10-L23 HydrophobicContact CB-CB 4.11Å; I10-L23 HydrophobicContact CG2-CB 3.63Å; I10-L23 HydrophobicContact CG2-CD1 3.73Å; I10-L23 HydrophobicContact CG2-CG 3.96Å; I10-L23 PolarHBondContact O-N 2.69Å; K12-L23 HydrophobicContact CB-CD1 3.57Å; K12-L23 HydrophobicContact CB-CD2 4.36Å; K12-L23 HydrophobicContact CB-CG 3.87Å; K12-L23 HydrophobicContact CD-CD1 4.15Å; K12-L23 HydrophobicContact CG-CD1 4.41Å; D21-L23 HydrophobicContact CB-CD2 4.48Å; D21-L23 PolarHBondContact O-N 2.9Å | ||
| 24 | Y | 61.5 | Low | 67.8 | Low | 102 Ų | 102 | 81.7 Ų | 81.7 | 40% | 0.4 | 44% | 0.44 | S | S | . | . | trans | -153.9 | 142 | -176.1 | -161.5 | -109.6 | 0 | 0 | 0 | 111.9 | I9 I10 Q26 L37 | I9-Y24 CarbonylContact C-O 3.01Å; I9-Y24 PolarHBondContact N-O 3.41Å; I10-Y24 VanDerWaalsContact CD1-CB 3.41Å; I10-Y24 HydrophobicContact CD1-CG 4.24Å; I10-Y24 PolarHBondContact N-O 3.5Å; Y24-Q26 HydrophobicContact CD1-CB 4.26Å; Y24-Q26 HydrophobicContact CE1-CB 3.52Å; Y24-Q26 HydrophobicContact CE1-CG 4.36Å; Y24-Q26 VanDerWaalsContact CE1-OE1 3.3Å; Y24-Q26 PolarHBondContact OH-OE1 3.27Å; Y24-L37 HydrophobicContact CD1-CD1 4.3Å; Y24-L37 HydrophobicContact CE1-CD1 3.93Å | ||
| 25 | S | 65.8 | Low | 67.6 | Low | 68 Ų | 68 | 86 Ų | 86 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | trans | -147.7 | 115.8 | 177 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | Q8 | Q8-S25 WeakPolarHBondContact CB-OG 3.31Å; Q8-S25 WeakPolarHBondContact CG-OG 3.44Å; Q8-S25 PolarHBondContact NE2-OG 2.9Å | ||
| 26 | Q | 63 | Low | 67.5 | Low | 77 Ų | 77 | 88.9 Ų | 88.9 | 36% | 0.36 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -130.1 | 138.5 | -178.6 | -172.6 | 174.8 | 9.7 | 0 | 0 | 110.6 | I7 Y24 | I7-Q26 CarbonylContact C-O 3.52Å; Y24-Q26 HydrophobicContact CD1-CB 4.26Å; Y24-Q26 HydrophobicContact CE1-CB 3.52Å; Y24-Q26 HydrophobicContact CE1-CG 4.36Å; Y24-Q26 VanDerWaalsContact CE1-OE1 3.3Å; Y24-Q26 PolarHBondContact OH-OE1 3.27Å |
| 27 | R | 62.7 | Low | 67.1 | Low | 109 Ų | 109 | 84.8 Ų | 84.8 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | trans | -78.3 | 120.9 | 169.4 | 177.9 | 171.8 | -173.1 | 165 | -9.5 | 107.6 | E4 Y6 N29 E64 | E4-R27 IonicContact OE1-NH2 2.69Å; E4-R27 PolarHBondContact OE1-NH2 3.07Å; E4-R27 IonicContact OE2-CZ 3.31Å; E4-R27 IonicContact OE2-NE 3.82Å; E4-R27 IonicContact OE2-NH2 2.72Å; E4-R27 PolarHBondContact OE2-NH2 2.94Å; Y6-R27 HydrophobicContact CD1-CB 4.02Å; Y6-R27 HydrophobicContact CD1-CG 3.55Å; Y6-R27 HydrophobicContact CE1-CB 4.18Å; Y6-R27 HydrophobicContact CE1-CG 3.37Å; Y6-R27 PolarHBondContact OH-NE 3.46Å; Y6-R27 PolarHBondContact OH-NH1 3.47Å; Y6-R27 PolarHBondContact OH-NH2 3.28Å; R27-N29 WeakPolarHBondContact CG-OD1 3.19Å; R27-N29 PolarHBondContact NE-OD1 2.88Å; R27-E64 IonicContact CZ-OE1 3.55Å; R27-E64 IonicContact NH1-OE1 2.7Å; R27-E64 PolarHBondContact NH1-OE1 3.12Å; R27-E64 IonicContact NH2-OE1 3.33Å; R27-E64 PolarHBondContact NH2-OE1 3.49Å; R27-E64 IonicContact NH2-OE2 3.09Å; R27-E64 PolarHBondContact NH2-OE2 2.94Å | ||
| 28 | I | 64.8 | Low | 66.7 | Low | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | trans | -111.5 | 125.9 | 175 | -74.3 | 164.6 | 0 | 0 | 0 | 106.4 | F5 I7 E30 E33 C34 L37 | F5-I28 CarbonylContact C-O 3.25Å; F5-I28 VanDerWaalsContact C-O 3.25Å; I7-I28 HydrophobicContact CB-CD1 4.09Å; I7-I28 HydrophobicContact CG2-CD1 4.37Å; I28-E30 WeakPolarHBondContact CG2-O 3.2Å; I28-E33 HydrophobicContact CG1-CB 4.25Å; I28-E33 HydrophobicContact CG2-CB 3.76Å; I28-C34 HydrophobicContact CD1-CB 4.3Å; I28-C34 HydrophobicContact CG2-CB 4.25Å; I28-L37 HydrophobicContact CD1-CB 4.28Å; I28-L37 HydrophobicContact CD1-CD2 3.73Å | ||
| 29 | N | 64.3 | Low | 66.5 | Low | 81 Ų | 81 | 83.6 Ų | 83.6 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | trans | -104.9 | -13.8 | 179.1 | -67.9 | -23.1 | 0 | 0 | 0 | 111.3 | R27 E33 | R27-N29 WeakPolarHBondContact CG-OD1 3.19Å; R27-N29 PolarHBondContact NE-OD1 2.88Å; N29-E33 PolarHBondContact N-OE2 3.29Å | ||
| 30 | E | 65.1 | Low | 66.4 | Low | 122 Ų | 122 | 84.2 Ų | 84.2 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -122.3 | 131.4 | 179 | -61.8 | -158.3 | 177.3 | 0 | 0 | 112.2 | I28 M32 E33 | I28-E30 WeakPolarHBondContact CG2-O 3.2Å; E30-M32 PolarHBondContact O-N 3.22Å; E30-E33 HydrophobicContact CB-CG 4.21Å; E30-E33 WeakPolarHBondContact O-CB 3.1Å; E30-E33 PolarHBondContact O-N 3.47Å |
| 31 | P | 64.2 | Low | 66.3 | Low | 94 Ų | 94 | 80.5 Ų | 80.5 | 61% | 0.61 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -54 | -27.1 | 178 | -27 | 34.1 | 0 | 0 | 0 | 114.5 | C34 M35 | P31-C34 WeakPolarHBondContact O-CB 3.49Å; P31-C34 PolarHBondContact O-N 2.81Å; P31-M35 PolarHBondContact O-N 3.46Å |
| 32 | M | 67.9 | Low | 66.5 | Low | 119 Ų | 119 | 83.5 Ų | 83.5 | 59% | 0.586 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69 | -37 | 178.4 | -158.3 | 70.7 | 137.8 | 0 | 0 | 112.2 | E30 C34 M35 Y36 | E30-M32 PolarHBondContact O-N 3.22Å; M32-C34 PolarHBondContact O-N 3.31Å; M32-M35 PolarHBondContact O-N 3.49Å; M32-Y36 HydrophobicContact CG-CD2 4.28Å; M32-Y36 HydrophobicContact CG-CE2 3.84Å; M32-Y36 VanDerWaalsContact O-CD2 3.23Å; M32-Y36 WeakPolarHBondContact O-CD2 3.48Å; M32-Y36 PolarHBondContact O-N 3.06Å |
| 33 | E | 65.9 | Low | 66.4 | Low | 90 Ų | 90 | 82.7 Ų | 82.7 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -31.1 | 177 | -65.1 | 178.1 | 151 | 0 | 0 | 111.5 | I28 N29 E30 Y36 L37 | I28-E33 HydrophobicContact CG1-CB 4.25Å; I28-E33 HydrophobicContact CG2-CB 3.76Å; N29-E33 PolarHBondContact N-OE2 3.29Å; E30-E33 HydrophobicContact CB-CG 4.21Å; E30-E33 WeakPolarHBondContact O-CB 3.1Å; E30-E33 PolarHBondContact O-N 3.47Å; E33-Y36 PolarHBondContact O-N 3.27Å; E33-L37 WeakPolarHBondContact O-CB 3.32Å; E33-L37 PolarHBondContact O-N 3.31Å |
| 34 | C | 67.4 | Low | 66.4 | Low | 18 Ų | 18 | 80.8 Ų | 80.8 | 12% | 0.122 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.2 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | I7 I28 P31 M32 Y36 L37 F38 | I7-C34 HydrophobicContact CD1-CB 3.75Å; I7-C34 WeakPolarHBondContact CD1-SG 3.36Å; I28-C34 HydrophobicContact CD1-CB 4.3Å; I28-C34 HydrophobicContact CG2-CB 4.25Å; P31-C34 WeakPolarHBondContact O-CB 3.49Å; P31-C34 PolarHBondContact O-N 2.81Å; M32-C34 PolarHBondContact O-N 3.31Å; C34-Y36 PolarHBondContact O-N 2.86Å; C34-L37 WeakPolarHBondContact O-CB 3.1Å; C34-L37 PolarHBondContact O-N 2.93Å; C34-F38 WeakPolarHBondContact O-CD2 3.41Å; C34-F38 PolarHBondContact O-N 3.09Å; C34-F38 VanDerWaalsContact SG-CD2 3.55Å; C34-F38 WeakPolarHBondContact SG-CE2 3.35Å |
| 35 | M | 66.7 | Low | 66.2 | Low | 126 Ų | 126 | 78.5 Ų | 78.5 | 62% | 0.621 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 177.3 | -68 | -64.9 | -58.4 | 0 | 0 | 111.7 | P31 M32 L37 F38 E39 | P31-M35 PolarHBondContact O-N 3.46Å; M32-M35 PolarHBondContact O-N 3.49Å; M35-L37 VanDerWaalsContact C-N 3.33Å; M35-L37 PolarHBondContact O-N 3.47Å; M35-F38 PolarHBondContact O-N 2.83Å; M35-E39 PolarHBondContact O-N 3.37Å |
| 36 | Y | 71.1 | Confident | 65.7 | Low | 147 Ų | 147 | 79.5 Ų | 79.5 | 58% | 0.576 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63 | -38.5 | 175.3 | -76.1 | -62.9 | 0 | 0 | 0 | 112.5 | M32 E33 C34 E39 A40 | M32-Y36 HydrophobicContact CG-CD2 4.28Å; M32-Y36 HydrophobicContact CG-CE2 3.84Å; M32-Y36 VanDerWaalsContact O-CD2 3.23Å; M32-Y36 WeakPolarHBondContact O-CD2 3.48Å; M32-Y36 PolarHBondContact O-N 3.06Å; E33-Y36 PolarHBondContact O-N 3.27Å; C34-Y36 PolarHBondContact O-N 2.86Å; Y36-E39 PolarHBondContact O-N 3.21Å; Y36-A40 VanDerWaalsContact O-CB 3.31Å; Y36-A40 WeakPolarHBondContact O-CB 3.39Å; Y36-A40 PolarHBondContact O-N 3.23Å |
| 37 | L | 70.4 | Confident | 65.3 | Low | 24 Ų | 24 | 82.5 Ų | 82.5 | 13% | 0.126 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 174.7 | -176.3 | 70.4 | 0 | 0 | 0 | 110.6 | I7 Y24 I28 E33 C34 M35 E39 A40 L41 | I7-L37 HydrophobicContact CG2-CD2 4.44Å; Y24-L37 HydrophobicContact CD1-CD1 4.3Å; Y24-L37 HydrophobicContact CE1-CD1 3.93Å; I28-L37 HydrophobicContact CD1-CB 4.28Å; I28-L37 HydrophobicContact CD1-CD2 3.73Å; E33-L37 WeakPolarHBondContact O-CB 3.32Å; E33-L37 PolarHBondContact O-N 3.31Å; C34-L37 WeakPolarHBondContact O-CB 3.1Å; C34-L37 PolarHBondContact O-N 2.93Å; M35-L37 VanDerWaalsContact C-N 3.33Å; M35-L37 PolarHBondContact O-N 3.47Å; L37-E39 PolarHBondContact O-N 2.91Å; L37-A40 PolarHBondContact O-N 2.96Å; L37-L41 HydrophobicContact CG-CD1 4.06Å; L37-L41 HydrophobicContact CG-CG 4.43Å; L37-L41 WeakPolarHBondContact O-CB 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.28Å; L37-L41 PolarHBondContact O-N 3.47Å |
| 38 | F | 69.5 | Low | 64.7 | Low | 80 Ų | 80 | 84 Ų | 84 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 176.9 | -84.3 | -67.8 | 0 | 0 | 0 | 112.4 | C34 M35 L41 E42 I57 | C34-F38 WeakPolarHBondContact O-CD2 3.41Å; C34-F38 PolarHBondContact O-N 3.09Å; C34-F38 VanDerWaalsContact SG-CD2 3.55Å; C34-F38 WeakPolarHBondContact SG-CE2 3.35Å; M35-F38 PolarHBondContact O-N 2.83Å; F38-L41 PolarHBondContact O-N 2.84Å; F38-E42 WeakPolarHBondContact O-CB 3.34Å; F38-E42 PolarHBondContact O-N 3.19Å; F38-I57 HydrophobicContact CD1-CD1 3.9Å; F38-I57 HydrophobicContact CE1-CB 4.32Å; F38-I57 HydrophobicContact CE1-CD1 3.73Å; F38-I57 HydrophobicContact CE1-CG2 3.56Å; F38-I57 HydrophobicContact CZ-CG2 3.85Å |
| 39 | E | 71.6 | Confident | 64 | Low | 109 Ų | 109 | 91.9 Ų | 91.9 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.4 | -174.7 | 175.6 | -164.3 | 0 | 0 | 111.7 | M35 Y36 L37 L41 E42 N43 | M35-E39 PolarHBondContact O-N 3.37Å; Y36-E39 PolarHBondContact O-N 3.21Å; L37-E39 PolarHBondContact O-N 2.91Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 2.83Å; E39-E42 PolarHBondContact O-N 2.83Å; E39-N43 WeakPolarHBondContact O-CB 3.23Å; E39-N43 PolarHBondContact O-N 3.18Å; E39-N43 PolarHBondContact O-ND2 3.28Å |
| 40 | A | 68.5 | Low | 63.3 | Low | 59 Ų | 59 | 97 Ų | 97 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y36 L37 S44 | Y36-A40 VanDerWaalsContact O-CB 3.31Å; Y36-A40 WeakPolarHBondContact O-CB 3.39Å; Y36-A40 PolarHBondContact O-N 3.23Å; L37-A40 PolarHBondContact O-N 2.96Å; A40-S44 WeakPolarHBondContact O-CB 3.44Å; A40-S44 PolarHBondContact O-N 3.27Å |
| 41 | L | 69.2 | Low | 62.5 | Low | 18 Ų | 18 | 96.5 Ų | 96.5 | 9% | 0.094 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -69 | -44.4 | 176.7 | -70.1 | 176 | 0 | 0 | 0 | 112.1 | I10 L37 F38 E39 S44 L45 I57 | I10-L41 HydrophobicContact CD1-CD1 4.31Å; I10-L41 HydrophobicContact CD1-CD2 3.19Å; I10-L41 HydrophobicContact CD1-CG 4.37Å; I10-L41 HydrophobicContact CG1-CD1 4.05Å; I10-L41 HydrophobicContact CG1-CD2 3.69Å; L37-L41 HydrophobicContact CG-CD1 4.06Å; L37-L41 HydrophobicContact CG-CG 4.43Å; L37-L41 WeakPolarHBondContact O-CB 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.28Å; L37-L41 PolarHBondContact O-N 3.47Å; F38-L41 PolarHBondContact O-N 2.84Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 2.83Å; L41-S44 CarbonylContact O-C 3.58Å; L41-S44 PolarHBondContact O-N 2.88Å; L41-L45 VanDerWaalsContact O-CB 3.28Å; L41-L45 WeakPolarHBondContact O-CB 3.4Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.42Å; L41-L45 PolarHBondContact O-N 2.89Å; L41-I57 HydrophobicContact CB-CD1 4.5Å; L41-I57 HydrophobicContact CD1-CD1 3.61Å; L41-I57 HydrophobicContact CD1-CG1 4.43Å |
| 42 | E | 67.7 | Low | 62.1 | Low | 119 Ų | 119 | 101.5 Ų | 101.5 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.1 | -47.6 | 174.5 | -177.8 | 170.5 | -150.8 | 0 | 0 | 110.5 | F38 E39 S44 L45 I46 | F38-E42 WeakPolarHBondContact O-CB 3.34Å; F38-E42 PolarHBondContact O-N 3.19Å; E39-E42 PolarHBondContact O-N 2.83Å; E42-S44 VanDerWaalsContact C-N 3.33Å; E42-S44 PolarHBondContact O-N 2.96Å; E42-L45 WeakPolarHBondContact O-CB 3.26Å; E42-L45 PolarHBondContact O-N 2.79Å; E42-L45 VanDerWaalsContact O-N 3.09Å; E42-I46 HydrophobicContact CG-CD1 3.63Å; E42-I46 HydrophobicContact CG-CG1 4.3Å; E42-I46 WeakPolarHBondContact O-CB 3.4Å; E42-I46 VanDerWaalsContact O-CG1 3.23Å; E42-I46 WeakPolarHBondContact O-CG1 3.14Å; E42-I46 PolarHBondContact O-N 3.35Å |
| 43 | N | 66.1 | Low | 61.4 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 175.3 | -76.3 | -53.3 | 0 | 0 | 0 | 112.9 | E39 L45 N47 | E39-N43 WeakPolarHBondContact O-CB 3.23Å; E39-N43 PolarHBondContact O-N 3.18Å; E39-N43 PolarHBondContact O-ND2 3.28Å; N43-L45 VanDerWaalsContact C-N 3.33Å; N43-N47 PolarHBondContact O-N 2.87Å; N43-N47 PolarHBondContact O-ND2 2.7Å |
| 44 | S | 61.5 | Low | 61 | Low | 51 Ų | 51 | 98.4 Ų | 98.4 | 36% | 0.357 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.9 | -30.2 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | A40 L41 E42 | A40-S44 WeakPolarHBondContact O-CB 3.44Å; A40-S44 PolarHBondContact O-N 3.27Å; L41-S44 CarbonylContact O-C 3.58Å; L41-S44 PolarHBondContact O-N 2.88Å; E42-S44 VanDerWaalsContact C-N 3.33Å; E42-S44 PolarHBondContact O-N 2.96Å |
| 45 | L | 57.4 | Low | 60.7 | Low | 54 Ų | 54 | 99 Ų | 99 | 28% | 0.283 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -78.9 | -44.4 | 179.8 | -84 | 170.3 | 0 | 0 | 0 | 111.9 | L41 E42 N43 N47 R48 E49 I55 | L41-L45 VanDerWaalsContact O-CB 3.28Å; L41-L45 WeakPolarHBondContact O-CB 3.4Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.42Å; L41-L45 PolarHBondContact O-N 2.89Å; E42-L45 WeakPolarHBondContact O-CB 3.26Å; E42-L45 PolarHBondContact O-N 2.79Å; E42-L45 VanDerWaalsContact O-N 3.09Å; N43-L45 VanDerWaalsContact C-N 3.33Å; L45-N47 PolarHBondContact O-N 2.72Å; L45-R48 CarbonylContact O-C 3.45Å; L45-R48 WeakPolarHBondContact O-CA 3.35Å; L45-R48 PolarHBondContact O-N 3.24Å; L45-E49 PolarHBondContact O-N 3.21Å; L45-I55 HydrophobicContact CD1-CB 4.13Å; L45-I55 HydrophobicContact CD1-CD1 4.4Å; L45-I55 HydrophobicContact CD1-CG2 4.5Å; L45-I55 HydrophobicContact CD2-CB 3.87Å; L45-I55 HydrophobicContact CD2-CD1 3.36Å; L45-I55 HydrophobicContact CD2-CG1 3.62Å; L45-I55 HydrophobicContact CG-CB 4.43Å; L45-I55 HydrophobicContact CG-CD1 3.87Å; L45-I55 HydrophobicContact CG-CG1 4.45Å |
| 46 | I | 55.6 | Low | 60.4 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 46% | 0.462 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | 176.6 | -68.8 | 168.1 | 0 | 0 | 0 | 110.1 | E42 R48 | E42-I46 HydrophobicContact CG-CD1 3.63Å; E42-I46 HydrophobicContact CG-CG1 4.3Å; E42-I46 WeakPolarHBondContact O-CB 3.4Å; E42-I46 VanDerWaalsContact O-CG1 3.23Å; E42-I46 WeakPolarHBondContact O-CG1 3.14Å; E42-I46 PolarHBondContact O-N 3.35Å; I46-R48 PolarHBondContact O-N 2.86Å |
| 47 | N | 52.9 | Low | 60 | Low | 139 Ų | 139 | 93.5 Ų | 93.5 | 74% | 0.743 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.8 | 174.8 | -76.1 | -49.6 | 0 | 0 | 0 | 114.2 | N43 L45 | N43-N47 PolarHBondContact O-N 2.87Å; N43-N47 PolarHBondContact O-ND2 2.7Å; L45-N47 PolarHBondContact O-N 2.72Å |
| 48 | R | 51.1 | Low | 59.4 | Low | 141 Ų | 141 | 98.6 Ų | 98.6 | 53% | 0.532 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 12 | -178 | -76.5 | -170.8 | 179 | -177 | 3.3 | 114.3 | L45 I46 Q50 N51 | L45-R48 CarbonylContact O-C 3.45Å; L45-R48 WeakPolarHBondContact O-CA 3.35Å; L45-R48 PolarHBondContact O-N 3.24Å; I46-R48 PolarHBondContact O-N 2.86Å; R48-Q50 PolarHBondContact O-N 3.2Å; R48-N51 PolarHBondContact O-N 3.18Å |
| 49 | E | 49.5 | Very low | 59 | Low | 168 Ų | 168 | 98.7 Ų | 98.7 | 79% | 0.785 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -0.8 | 173 | -76.2 | -167.7 | 154.2 | 0 | 0 | 114.9 | L45 | L45-E49 PolarHBondContact O-N 3.21Š|
| 50 | Q | 49.5 | Very low | 58.3 | Low | 187 Ų | 187 | 101.6 Ų | 101.6 | 87% | 0.874 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -6.5 | 167.9 | -65.4 | -165.7 | -19.3 | 0 | 0 | 115.6 | R48 | R48-Q50 PolarHBondContact O-N 3.2Š|
| 51 | N | 49.5 | Very low | 57.8 | Low | 113 Ų | 113 | 104.8 Ų | 104.8 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -133.5 | 126.7 | 177.2 | -77.1 | -54.1 | 0 | 0 | 0 | 110.6 | R48 N53 | R48-N51 PolarHBondContact O-N 3.18Å; N51-N53 PolarHBondContact O-N 3Å |
| 52 | E | 54.7 | Low | 57.2 | Low | 198 Ų | 198 | 107.1 Ų | 107.1 | 93% | 0.925 | 53% | 0.526 | S | S | * | . | trans | -58.3 | 26.9 | -175.3 | -56.4 | 178.7 | 150.8 | 0 | 0 | 116.5 | T54 | E52-T54 PolarHBondContact O-N 3.44Š| ||
| 53 | N | 53 | Low | 56.5 | Low | 61 Ų | 61 | 110.1 Ų | 110.1 | 33% | 0.326 | 54% | 0.54 | S | S | . | . | trans | -88.4 | 93.4 | -176.8 | -64 | -56.7 | 0 | 0 | 0 | 110.2 | K12 N51 I55 | K12-N53 WeakPolarHBondContact CE-OD1 3.07Å; N51-N53 PolarHBondContact O-N 3Å; N53-I55 PolarHBondContact O-N 3.09Å | ||
| 54 | T | 58.1 | Low | 55.9 | Low | 84 Ų | 84 | 111.9 Ų | 111.9 | 52% | 0.515 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -64 | 119.5 | 167.6 | -49.2 | 0 | 0 | 0 | 0 | 109.6 | E52 F56 | E52-T54 PolarHBondContact O-N 3.44Å; T54-F56 HydrophobicContact CG2-CD2 3.93Å; T54-F56 HydrophobicContact CG2-CE1 4.26Å; T54-F56 HydrophobicContact CG2-CE2 3.33Å; T54-F56 HydrophobicContact CG2-CZ 3.52Å |
| 55 | I | 61.1 | Low | 55.4 | Low | 30 Ų | 30 | 122.2 Ų | 122.2 | 15% | 0.154 | 59% | 0.588 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.5 | 171.8 | -68.8 | -177.3 | 0 | 0 | 0 | 108.3 | I10 L45 N53 I57 | I10-I55 HydrophobicContact CB-CG2 4.38Å; I10-I55 HydrophobicContact CG1-CG2 4.14Å; I10-I55 HydrophobicContact CG2-CD1 4.34Å; I10-I55 HydrophobicContact CG2-CG1 4.41Å; I10-I55 HydrophobicContact CG2-CG2 3.68Å; L45-I55 HydrophobicContact CD1-CB 4.13Å; L45-I55 HydrophobicContact CD1-CD1 4.4Å; L45-I55 HydrophobicContact CD1-CG2 4.5Å; L45-I55 HydrophobicContact CD2-CB 3.87Å; L45-I55 HydrophobicContact CD2-CD1 3.36Å; L45-I55 HydrophobicContact CD2-CG1 3.62Å; L45-I55 HydrophobicContact CG-CB 4.43Å; L45-I55 HydrophobicContact CG-CD1 3.87Å; L45-I55 HydrophobicContact CG-CG1 4.45Å; N53-I55 PolarHBondContact O-N 3.09Å; I55-I57 HydrophobicContact CG2-CG1 4.19Å |
| 56 | F | 60 | Low | 55.3 | Low | 101 Ų | 101 | 125.6 Ų | 125.6 | 44% | 0.443 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 135 | 175.4 | -73 | -89.1 | 0 | 0 | 0 | 110.8 | L11 F20 T54 | L11-F56 HydrophobicContact CB-CB 4.13Å; L11-F56 PolarHBondContact N-O 3.19Å; L11-F56 PolarHBondContact O-N 3.33Å; F20-F56 HydrophobicContact CD1-CD2 4.27Å; F20-F56 AromaticContact CE1-CD2 3.48Å; F20-F56 HydrophobicContact CE1-CD2 3.48Å; F20-F56 VanDerWaalsContact CE1-CD2 3.48Å; F20-F56 AromaticContact CE1-CE2 3.86Å; F20-F56 HydrophobicContact CE1-CE2 3.86Å; F20-F56 HydrophobicContact CE1-CG 4.14Å; F20-F56 HydrophobicContact CZ-CD2 4.31Å; F20-F56 HydrophobicContact CZ-CE2 4.44Å; T54-F56 HydrophobicContact CG2-CD2 3.93Å; T54-F56 HydrophobicContact CG2-CE1 4.26Å; T54-F56 HydrophobicContact CG2-CE2 3.33Å; T54-F56 HydrophobicContact CG2-CZ 3.52Å |
| 57 | I | 63.3 | Low | 55.3 | Low | 57 Ų | 57 | 127.5 Ų | 127.5 | 29% | 0.292 | 61% | 0.61 | S | S | . | * | trans | -111.3 | 101.2 | 179.9 | -59.1 | 179.1 | 0 | 0 | 0 | 110.9 | I9 F38 L41 I55 P59 | I9-I57 HydrophobicContact CB-CG2 3.92Å; I9-I57 HydrophobicContact CD1-CB 4.34Å; I9-I57 HydrophobicContact CD1-CG2 3.11Å; I9-I57 HydrophobicContact CG1-CG2 4.06Å; I9-I57 VanDerWaalsContact CG2-C 3.43Å; I9-I57 HydrophobicContact CG2-CB 3.87Å; I9-I57 HydrophobicContact CG2-CG1 4.29Å; I9-I57 HydrophobicContact CG2-CG2 3.62Å; F38-I57 HydrophobicContact CD1-CD1 3.9Å; F38-I57 HydrophobicContact CE1-CB 4.32Å; F38-I57 HydrophobicContact CE1-CD1 3.73Å; F38-I57 HydrophobicContact CE1-CG2 3.56Å; F38-I57 HydrophobicContact CZ-CG2 3.85Å; L41-I57 HydrophobicContact CB-CD1 4.5Å; L41-I57 HydrophobicContact CD1-CD1 3.61Å; L41-I57 HydrophobicContact CD1-CG1 4.43Å; I55-I57 HydrophobicContact CG2-CG1 4.19Å; I57-P59 WeakPolarHBondContact O-CD 3.39Å | ||
| 58 | Q | 58.4 | Low | 55.4 | Low | 130 Ų | 130 | 126.8 Ų | 126.8 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | trans | -107.7 | 92.2 | 175.1 | -171.6 | -178.2 | -6.7 | 0 | 0 | 115 | I9 | I9-Q58 VanDerWaalsContact CG1-C 3.46Å; I9-Q58 WeakPolarHBondContact CG1-O 3.43Å | ||
| 59 | P | 61 | Low | 55.7 | Low | 83 Ų | 83 | 126 Ų | 126 | 54% | 0.539 | 61% | 0.607 | S | S | . | * | trans | -65 | 141.6 | 176 | 22.9 | -29 | 0 | 0 | 0 | 111.3 | I7 I9 I57 | I7-P59 HydrophobicContact CG1-CB 4.4Å; I9-P59 HydrophobicContact CD1-CB 3.69Å; I9-P59 VanDerWaalsContact CD1-CD 3.49Å; I9-P59 HydrophobicContact CD1-CG 4.14Å; I57-P59 WeakPolarHBondContact O-CD 3.39Å | ||
| 60 | R | 57.2 | Low | 56.1 | Low | 170 Ų | 170 | 123.4 Ų | 123.4 | 64% | 0.642 | 60% | 0.596 | S | S | * | * | trans | -137.3 | 124 | 176.6 | -179.9 | 179.7 | 177.1 | -178.4 | 1.3 | 110.9 | Y6 I62 | Y6-R60 CarbonylContact C-O 3.59Å; Y6-R60 CarbonylContact O-C 3.45Å; R60-I62 PolarHBondContact O-N 3.44Å | ||
| 61 | M | 56.3 | Low | 56.5 | Low | 126 Ų | 126 | 119.1 Ų | 119.1 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.7 | 166.6 | -64.3 | -108.8 | -68.8 | 0 | 0 | 110.1 | F5 | F5-M61 HydrophobicContact CD1-SD 4.22Å; F5-M61 HydrophobicContact CE1-SD 4.11Å |
| 62 | I | 57.8 | Low | 57 | Low | 67 Ų | 67 | 119.6 Ų | 119.6 | 34% | 0.344 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -102.5 | 121.7 | 170.7 | -55.7 | 176.3 | 0 | 0 | 0 | 106.8 | Y6 R60 | Y6-I62 HydrophobicContact CD1-CB 4.05Å; Y6-I62 HydrophobicContact CD1-CD1 3.74Å; Y6-I62 HydrophobicContact CD1-CG1 4.26Å; Y6-I62 HydrophobicContact CD2-CB 3.6Å; Y6-I62 HydrophobicContact CD2-CG1 4.35Å; Y6-I62 VanDerWaalsContact CD2-O 3.32Å; Y6-I62 WeakPolarHBondContact CD2-O 3.29Å; Y6-I62 HydrophobicContact CE1-CB 4.43Å; Y6-I62 HydrophobicContact CE2-CB 4.11Å; Y6-I62 VanDerWaalsContact CE2-O 3.32Å; Y6-I62 WeakPolarHBondContact CE2-O 3.29Å; Y6-I62 HydrophobicContact CG-CB 3.58Å; Y6-I62 HydrophobicContact CG-CD1 3.81Å; Y6-I62 HydrophobicContact CG-CG1 3.85Å; R60-I62 PolarHBondContact O-N 3.44Å |
| 63 | Q | 51.6 | Low | 57.2 | Low | 182 Ų | 182 | 113.5 Ų | 113.5 | 85% | 0.85 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 120.4 | 166.2 | -74.1 | 179.7 | -31.6 | 0 | 0 | 107.1 | ||
| 64 | E | 54.6 | Low | 57.6 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 55% | 0.547 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 139 | 167.5 | -67 | -161.5 | 129.6 | 0 | 0 | 109.4 | Y6 R27 | Y6-E64 WeakPolarHBondContact OH-CG 3.42Å; Y6-E64 PolarHBondContact OH-OE1 2.79Å; R27-E64 IonicContact CZ-OE1 3.55Å; R27-E64 IonicContact NH1-OE1 2.7Å; R27-E64 PolarHBondContact NH1-OE1 3.12Å; R27-E64 IonicContact NH2-OE1 3.33Å; R27-E64 PolarHBondContact NH2-OE1 3.49Å; R27-E64 IonicContact NH2-OE2 3.09Å; R27-E64 PolarHBondContact NH2-OE2 2.94Å |
| 65 | Q | 51.4 | Low | 57.5 | Low | 268 Ų | 268 | 121 Ų | 121 | 100% | 1.252 | 57% | 0.572 | S | S | * | * | trans | -71.9 | 0 | 175.5 | -74.5 | -174.1 | -10.8 | 0 | 0 | 111.7 |
Retrieved 65 of 65 residues in 55.1 ms
(Link to these results)