| 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 | 38.4 | Very low | 52.4 | Low | 232 Ų | 232 | 129.1 Ų | 129.1 | 100% | 1.143 | 66% | 0.663 | S | S | * | * | 0 | 99.5 | 0 | -62.3 | -77.9 | 172.9 | 0 | 0 | 105.6 | R3 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.11Å | |||
| 2 | H | 45.2 | Very low | 54.5 | Low | 191 Ų | 191 | 118.3 Ų | 118.3 | 88% | 0.884 | 61% | 0.608 | S | S | * | * | trans | -64.3 | 94.8 | -173.5 | -66.5 | 92.8 | 0 | 0 | 0 | 108.9 | D4 | H2-D4 PolarHBondContact O-N 3.12Š| ||
| 3 | R | 50.3 | Low | 56.3 | Low | 225 Ų | 225 | 114.3 Ų | 114.3 | 85% | 0.849 | 58% | 0.581 | S | S | * | * | trans | -65.6 | 122.3 | 171 | -128.7 | 165.3 | 167.7 | 150.1 | -7.4 | 105.7 | M1 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.11Å | ||
| 4 | D | 42.2 | Very low | 57.8 | Low | 124 Ų | 124 | 106.1 Ų | 106.1 | 66% | 0.663 | 54% | 0.54 | S | S | * | . | trans | 77.9 | 56.1 | 158.3 | -35.3 | -52.8 | 0 | 0 | 0 | 115.8 | H2 C6 | H2-D4 PolarHBondContact O-N 3.12Å; D4-C6 PolarHBondContact O-N 2.88Å | ||
| 5 | S | 50.4 | Low | 59 | Low | 112 Ų | 112 | 99.3 Ų | 99.3 | 78% | 0.783 | 51% | 0.506 | S | S | * | . | trans | -67.9 | 91.2 | 140 | -70.9 | 0 | 0 | 0 | 0 | 107 | P7 | S5-P7 WeakPolarHBondContact O-CD 3.17Š| ||
| 6 | C | 47.5 | Very low | 59.5 | Low | 67 Ų | 67 | 98.8 Ų | 98.8 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | trans | -95.4 | 96.4 | 164.7 | -67.1 | 0 | 0 | 0 | 0 | 107.8 | D4 L8 D9 | D4-C6 PolarHBondContact O-N 2.88Å; C6-L8 PolarHBondContact O-N 2.95Å; C6-D9 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 7 | P | 50.2 | Low | 60 | Low | 105 Ų | 105 | 93.9 Ų | 93.9 | 68% | 0.682 | 48% | 0.48 | S | S | * | . | trans | -87.8 | 24.2 | 171.8 | 33.4 | -36.2 | 0 | 0 | 0 | 112.4 | S5 | S5-P7 WeakPolarHBondContact O-CD 3.17Š| ||
| 8 | L | 49.1 | Very low | 60.2 | Low | 166 Ų | 166 | 91.4 Ų | 91.4 | 87% | 0.869 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -124.9 | -3.2 | -170.4 | -62.9 | 173.2 | 0 | 0 | 0 | 114.1 | C6 | C6-L8 PolarHBondContact O-N 2.95Š|
| 9 | D | 58.3 | Low | 60.3 | Low | 72 Ų | 72 | 96.2 Ų | 96.2 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | trans | -113 | 1.8 | -167.4 | 65.3 | -75.8 | 0 | 0 | 0 | 116 | C6 K11 P56 | C6-D9 WeakPolarHBondContact CB-OD1 3.47Å; D9-K11 PolarHBondContact O-N 3.37Å; D9-P56 WeakPolarHBondContact OD2-CB 3.12Å | ||
| 10 | C | 69.4 | Low | 60.4 | Low | 15 Ų | 15 | 97.1 Ų | 97.1 | 10% | 0.101 | 51% | 0.513 | C | S | . | . | trans | -71.8 | 2.7 | 179.9 | -46.7 | 0 | 0 | 0 | 0 | 114.7 | E52 F53 | C10-E52 CarbonylContact O-C 3.48Å; C10-E52 VanDerWaalsContact O-CA 3.3Å; C10-E52 WeakPolarHBondContact O-CA 3.31Å; C10-F53 HydrophobicContact CB-CB 4.16Å; C10-F53 WeakPolarHBondContact CB-O 2.95Å; C10-F53 PolarHBondContact O-N 3.13Å | ||
| 11 | K | 75.1 | Confident | 60.7 | Low | 111 Ų | 111 | 93.7 Ų | 93.7 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 109.4 | -177.1 | -179.6 | 164 | -78.6 | 145.6 | 0 | 111.2 | D9 F50 V51 E52 | D9-K11 PolarHBondContact O-N 3.37Å; K11-F50 HydrophobicContact CD-CD1 4.16Å; K11-F50 HydrophobicContact CG-CD1 4.22Å; K11-V51 CarbonylContact C-O 3.53Å; K11-V51 WeakPolarHBondContact CA-O 3.33Å; K11-E52 WeakPolarHBondContact CE-OE2 3.25Å; K11-E52 IonicContact NZ-OE2 2.79Å; K11-E52 PolarHBondContact NZ-OE2 3.42Å |
| 12 | V | 77.8 | Confident | 62.4 | Low | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.4 | 175.2 | -177 | 0 | 0 | 0 | 0 | 109.9 | V14 F30 F50 V51 F53 A59 V63 A78 | V12-V14 HydrophobicContact CG1-CG2 4.25Å; V12-F30 HydrophobicContact CB-CE1 4.44Å; V12-F30 HydrophobicContact CG1-CE1 3.92Å; V12-F30 HydrophobicContact CG1-CZ 4.35Å; V12-F50 CarbonylContact O-C 3.58Å; V12-F50 WeakPolarHBondContact O-CA 3.48Å; V12-V51 HydrophobicContact CB-CB 4.37Å; V12-V51 PolarHBondContact N-O 3.47Å; V12-V51 PolarHBondContact O-N 3.43Å; V12-F53 HydrophobicContact CG2-CD2 4.05Å; V12-F53 HydrophobicContact CG2-CE2 3.98Å; V12-A59 HydrophobicContact CG2-CB 4.07Å; V12-V63 HydrophobicContact CB-CG2 4.1Å; V12-V63 HydrophobicContact CG1-CG2 3.46Å; V12-V63 VanDerWaalsContact CG1-CG2 3.46Å; V12-V63 HydrophobicContact CG2-CG2 3.53Å; V12-A78 HydrophobicContact CG1-CB 4.35Å |
| 13 | Y | 77.6 | Confident | 64.3 | Low | 66 Ų | 66 | 81 Ų | 81 | 26% | 0.259 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 137.4 | 169.1 | 172.5 | -105.1 | 0 | 0 | 0 | 110 | F48 F50 L77 A78 | Y13-F48 HydrophobicContact CE1-CD1 4.49Å; Y13-F48 AromaticContact CE2-CD1 3.78Å; Y13-F48 HydrophobicContact CE2-CD1 3.78Å; Y13-F48 AromaticContact CZ-CD1 3.48Å; Y13-F48 VanDerWaalsContact CZ-CD1 3.48Å; Y13-F48 AromaticContact CZ-CE1 3.88Å; Y13-F48 WeakPolarHBondContact OH-CD1 3.46Å; Y13-F48 WeakPolarHBondContact OH-CE1 3.26Å; Y13-F50 HydrophobicContact CD2-CD1 4.09Å; Y13-F50 HydrophobicContact CD2-CD2 4.48Å; Y13-F50 AromaticContact CD2-CE1 3.52Å; Y13-F50 HydrophobicContact CD2-CE1 3.52Å; Y13-F50 AromaticContact CD2-CE2 3.98Å; Y13-F50 HydrophobicContact CD2-CE2 3.98Å; Y13-F50 AromaticContact CD2-CZ 3.47Å; Y13-F50 HydrophobicContact CD2-CZ 3.47Å; Y13-F50 VanDerWaalsContact CD2-CZ 3.47Å; Y13-F50 HydrophobicContact CE2-CE1 4.33Å; Y13-F50 HydrophobicContact CE2-CE2 4.19Å; Y13-F50 AromaticContact CE2-CZ 3.84Å; Y13-F50 HydrophobicContact CE2-CZ 3.84Å; Y13-F50 HydrophobicContact CG-CE1 4.35Å; Y13-L77 VanDerWaalsContact CD1-O 3.31Å; Y13-L77 WeakPolarHBondContact CD1-O 3.44Å; Y13-A78 VanDerWaalsContact O-CA 3.31Å; Y13-A78 WeakPolarHBondContact O-CA 3.33Å |
| 14 | V | 77.4 | Confident | 65.9 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 98.9 | -179.3 | -164.5 | 0 | 0 | 0 | 0 | 108 | V12 L17 L26 F30 F48 A49 V51 I76 | V12-V14 HydrophobicContact CG1-CG2 4.25Å; V14-L17 HydrophobicContact CB-CD1 4.19Å; V14-L17 HydrophobicContact CG1-CD1 3.88Å; V14-L17 HydrophobicContact CG1-CD2 3.83Å; V14-L17 HydrophobicContact CG1-CG 3.77Å; V14-L26 HydrophobicContact CB-CD2 4.45Å; V14-L26 HydrophobicContact CG1-CD1 4.2Å; V14-L26 HydrophobicContact CG2-CD2 4.19Å; V14-F30 HydrophobicContact CG1-CE2 4.46Å; V14-F30 HydrophobicContact CG1-CZ 4.39Å; V14-F30 HydrophobicContact CG2-CE1 4.39Å; V14-F30 HydrophobicContact CG2-CE2 3.85Å; V14-F30 HydrophobicContact CG2-CZ 3.47Å; V14-F30 VanDerWaalsContact CG2-CZ 3.47Å; V14-F48 CarbonylContact O-C 3.55Å; V14-F48 WeakPolarHBondContact O-CA 3.48Å; V14-A49 HydrophobicContact CB-CB 4.34Å; V14-A49 PolarHBondContact N-O 3.24Å; V14-A49 PolarHBondContact O-N 2.97Å; V14-V51 HydrophobicContact CG2-CG2 4.05Å; V14-I76 HydrophobicContact CB-CG2 4.47Å; V14-I76 HydrophobicContact CG1-CD1 4.47Å; V14-I76 HydrophobicContact CG1-CG2 3.36Å |
| 15 | G | 75.4 | Confident | 67.9 | Low | 3 Ų | 3 | 72.4 Ų | 72.4 | 3% | 0.031 | 41% | 0.411 | C | S | . | . | trans | -93.5 | 166.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L17 G47 I76 | G15-L17 PolarHBondContact O-N 3.06Å; G15-L17 VanDerWaalsContact O-N 3.13Å; G15-G47 CarbonylContact C-O 3.55Å; G15-I76 WeakPolarHBondContact O-CA 3.35Å | ||
| 16 | N | 68.3 | Low | 69.4 | Low | 91 Ų | 91 | 67.3 Ų | 67.3 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | trans | 57.2 | 27.9 | 174.1 | -152.5 | 14.8 | 0 | 0 | 0 | 115 | G18 G47 V75 | N16-G18 VanDerWaalsContact C-N 3.29Å; N16-G18 PolarHBondContact O-N 2.94Å; N16-G47 PolarHBondContact N-O 3.3Å; N16-V75 WeakPolarHBondContact CB-O 3.42Å; N16-V75 PolarHBondContact ND2-N 3.44Å; N16-V75 PolarHBondContact ND2-O 3.28Å; N16-V75 VanDerWaalsContact ND2-O 3.13Å | ||
| 17 | L | 68.1 | Low | 71.3 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | trans | -61 | 99.8 | 158.9 | -73.8 | 174 | 0 | 0 | 0 | 105.6 | V14 G15 L26 G47 A49 I76 | V14-L17 HydrophobicContact CB-CD1 4.19Å; V14-L17 HydrophobicContact CG1-CD1 3.88Å; V14-L17 HydrophobicContact CG1-CD2 3.83Å; V14-L17 HydrophobicContact CG1-CG 3.77Å; G15-L17 PolarHBondContact O-N 3.06Å; G15-L17 VanDerWaalsContact O-N 3.13Å; L17-L26 HydrophobicContact CD1-CD1 3.72Å; L17-L26 HydrophobicContact CD1-CD2 4.24Å; L17-L26 HydrophobicContact CD2-CD1 3.62Å; L17-L26 HydrophobicContact CG-CD1 4.31Å; L17-G47 PolarHBondContact N-O 3.43Å; L17-G47 VanDerWaalsContact O-CA 3.22Å; L17-G47 WeakPolarHBondContact O-CA 3.48Å; L17-A49 HydrophobicContact CD1-CB 3.42Å; L17-A49 VanDerWaalsContact CD1-CB 3.42Å; L17-I76 HydrophobicContact CD2-CD1 4.06Å | ||
| 18 | G | 62.2 | Low | 72.9 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | trans | -56.1 | -170.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N16 N20 G21 | N16-G18 VanDerWaalsContact C-N 3.29Å; N16-G18 PolarHBondContact O-N 2.94Å; G18-N20 PolarHBondContact O-N 3.47Å; G18-G21 PolarHBondContact O-N 3.43Å | ||
| 19 | N | 62 | Low | 74.5 | Confident | 182 Ų | 182 | 65.4 Ų | 65.4 | 97% | 0.973 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -6.5 | -175.4 | -149.4 | 94.8 | 0 | 0 | 0 | 115.2 | ||
| 20 | N | 62.4 | Low | 75.7 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -13.6 | 176.9 | -155.3 | 66.9 | 0 | 0 | 0 | 114.6 | G18 N22 E25 | G18-N20 PolarHBondContact O-N 3.47Å; N20-N22 PolarHBondContact O-N 2.88Å; N20-N22 VanDerWaalsContact O-N 3.1Å; N20-N22 PolarHBondContact O-ND2 3.46Å; N20-E25 PolarHBondContact ND2-OE1 2.94Å |
| 21 | G | 66.6 | Low | 76.4 | Confident | 26 Ų | 26 | 63.3 Ų | 63.3 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | trans | -74.1 | 108.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G18 | G18-G21 PolarHBondContact O-N 3.43Š| ||
| 22 | N | 75.5 | Confident | 76.9 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | trans | -124.6 | 164.8 | -177.9 | 58.8 | 66 | 0 | 0 | 0 | 110.5 | N20 T24 E25 L26 | N20-N22 PolarHBondContact O-N 2.88Å; N20-N22 VanDerWaalsContact O-N 3.1Å; N20-N22 PolarHBondContact O-ND2 3.46Å; N22-T24 PolarHBondContact O-N 2.98Å; N22-T24 WeakPolarHBondContact OD1-CB 3.47Å; N22-T24 PolarHBondContact OD1-N 3.41Å; N22-E25 PolarHBondContact O-N 3.14Å; N22-E25 PolarHBondContact OD1-N 2.98Å; N22-L26 PolarHBondContact O-N 3.39Å; N22-L26 VanDerWaalsContact O-N 3.13Å | ||
| 23 | K | 83.7 | Confident | 77.3 | Confident | 90 Ų | 90 | 70 Ų | 70 | 39% | 0.391 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.2 | -40.4 | -177.5 | 177.1 | 173.1 | 176.7 | -76.2 | 0 | 111.5 | L26 E27 V39 V41 | K23-L26 WeakPolarHBondContact O-CB 3.3Å; K23-L26 PolarHBondContact O-N 3.38Å; K23-E27 HydrophobicContact CG-CG 4.3Å; K23-E27 WeakPolarHBondContact CG-OE2 3.48Å; K23-E27 IonicContact NZ-OE1 2.68Å; K23-E27 PolarHBondContact NZ-OE1 2.83Å; K23-E27 IonicContact NZ-OE2 2.7Å; K23-E27 PolarHBondContact NZ-OE2 3.09Å; K23-E27 WeakPolarHBondContact O-CB 3.24Å; K23-E27 WeakPolarHBondContact O-CG 3.48Å; K23-E27 PolarHBondContact O-N 2.79Å; K23-V39 WeakPolarHBondContact CE-O 3.19Å; K23-V39 HydrophobicContact CG-CB 4.12Å; K23-V39 HydrophobicContact CG-CG1 3.8Å; K23-V41 HydrophobicContact CB-CG2 3.64Å; K23-V41 HydrophobicContact CG-CG2 4.45Å |
| 24 | T | 85.6 | Confident | 77.6 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | -178.1 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | N22 L26 E27 R28 | N22-T24 PolarHBondContact O-N 2.98Å; N22-T24 WeakPolarHBondContact OD1-CB 3.47Å; N22-T24 PolarHBondContact OD1-N 3.41Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-E27 PolarHBondContact O-N 3.26Å; T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 VanDerWaalsContact O-CG 3.25Å; T24-R28 WeakPolarHBondContact O-CG 2.98Å; T24-R28 PolarHBondContact O-N 2.98Å |
| 25 | E | 82.8 | Confident | 78.1 | Confident | 92 Ų | 92 | 70.5 Ų | 70.5 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.2 | -165.9 | 93.4 | 94.2 | 0 | 0 | 110.4 | N20 N22 R28 A29 | N20-E25 PolarHBondContact ND2-OE1 2.94Å; N22-E25 PolarHBondContact O-N 3.14Å; N22-E25 PolarHBondContact OD1-N 2.98Å; E25-R28 PolarHBondContact O-N 3.43Å; E25-A29 VanDerWaalsContact O-CB 3.26Å; E25-A29 WeakPolarHBondContact O-CB 3.48Å; E25-A29 PolarHBondContact O-N 2.74Å |
| 26 | L | 83.1 | Confident | 78.6 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 176.1 | -118.9 | 64.7 | 0 | 0 | 0 | 111.9 | V14 L17 N22 K23 T24 R28 A29 F30 V39 A49 V51 | V14-L26 HydrophobicContact CB-CD2 4.45Å; V14-L26 HydrophobicContact CG1-CD1 4.2Å; V14-L26 HydrophobicContact CG2-CD2 4.19Å; L17-L26 HydrophobicContact CD1-CD1 3.72Å; L17-L26 HydrophobicContact CD1-CD2 4.24Å; L17-L26 HydrophobicContact CD2-CD1 3.62Å; L17-L26 HydrophobicContact CG-CD1 4.31Å; N22-L26 PolarHBondContact O-N 3.39Å; N22-L26 VanDerWaalsContact O-N 3.13Å; K23-L26 WeakPolarHBondContact O-CB 3.3Å; K23-L26 PolarHBondContact O-N 3.38Å; T24-L26 VanDerWaalsContact C-N 3.34Å; L26-R28 VanDerWaalsContact C-N 3.25Å; L26-R28 PolarHBondContact O-N 3.46Å; L26-A29 PolarHBondContact O-N 3.41Å; L26-F30 HydrophobicContact CB-CD2 4.3Å; L26-F30 HydrophobicContact CD1-CD2 4.32Å; L26-F30 HydrophobicContact CD1-CE2 3.89Å; L26-F30 HydrophobicContact CD2-CE2 4.49Å; L26-F30 HydrophobicContact CG-CD2 3.72Å; L26-F30 HydrophobicContact CG-CE2 3.64Å; L26-F30 VanDerWaalsContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CB 3.01Å; L26-F30 VanDerWaalsContact O-CD2 3.28Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 PolarHBondContact O-N 3.29Å; L26-V39 HydrophobicContact CB-CG1 3.97Å; L26-V39 HydrophobicContact CD2-CG1 3.95Å; L26-A49 HydrophobicContact CD2-CB 3.26Å; L26-V51 HydrophobicContact CB-CG2 4.37Å; L26-V51 HydrophobicContact CD2-CG2 3.33Å; L26-V51 HydrophobicContact CG-CG2 3.69Å |
| 27 | E | 86.4 | Confident | 79.6 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 35% | 0.346 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 178.1 | -80.4 | 178.1 | 130.1 | 0 | 0 | 112.2 | K23 T24 G31 L36 V39 | K23-E27 HydrophobicContact CG-CG 4.3Å; K23-E27 WeakPolarHBondContact CG-OE2 3.48Å; K23-E27 IonicContact NZ-OE1 2.68Å; K23-E27 PolarHBondContact NZ-OE1 2.83Å; K23-E27 IonicContact NZ-OE2 2.7Å; K23-E27 PolarHBondContact NZ-OE2 3.09Å; K23-E27 WeakPolarHBondContact O-CB 3.24Å; K23-E27 WeakPolarHBondContact O-CG 3.48Å; K23-E27 PolarHBondContact O-N 2.79Å; T24-E27 PolarHBondContact O-N 3.26Å; E27-G31 WeakPolarHBondContact O-CA 3.46Å; E27-G31 PolarHBondContact O-N 3.46Å; E27-L36 HydrophobicContact CB-CD1 4.22Å; E27-L36 HydrophobicContact CG-CD1 4.14Å; E27-L36 WeakPolarHBondContact O-CD1 3.14Å; E27-V39 HydrophobicContact CG-CB 3.97Å; E27-V39 HydrophobicContact CG-CG1 4.37Å; E27-V39 HydrophobicContact CG-CG2 3.54Å |
| 28 | R | 84.9 | Confident | 80.3 | Confident | 184 Ų | 184 | 78.7 Ų | 78.7 | 69% | 0.694 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -73.8 | -44.8 | 177.3 | -71.5 | 172.2 | -176.8 | -95.9 | 1.2 | 112.2 | T24 E25 L26 Y32 | T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 VanDerWaalsContact O-CG 3.25Å; T24-R28 WeakPolarHBondContact O-CG 2.98Å; T24-R28 PolarHBondContact O-N 2.98Å; E25-R28 PolarHBondContact O-N 3.43Å; L26-R28 VanDerWaalsContact C-N 3.25Å; L26-R28 PolarHBondContact O-N 3.46Å; R28-Y32 PolarHBondContact O-N 3Å |
| 29 | A | 81.3 | Confident | 81.5 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 34% | 0.339 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.1 | -50.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E25 L26 Y32 Y33 | E25-A29 VanDerWaalsContact O-CB 3.26Å; E25-A29 WeakPolarHBondContact O-CB 3.48Å; E25-A29 PolarHBondContact O-N 2.74Å; L26-A29 PolarHBondContact O-N 3.41Å; A29-Y32 WeakPolarHBondContact O-CB 3.23Å; A29-Y33 VanDerWaalsContact O-CD2 3.23Å; A29-Y33 WeakPolarHBondContact O-CD2 3.17Å; A29-Y33 WeakPolarHBondContact O-CE2 3.2Å |
| 30 | F | 83.8 | Confident | 82.7 | Confident | 4 Ų | 4 | 75.7 Ų | 75.7 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -76.9 | -32.3 | -179.7 | -70.8 | -92 | 0 | 0 | 0 | 112 | V12 V14 L26 Y32 Y33 G34 L36 V51 F53 A62 L66 | V12-F30 HydrophobicContact CB-CE1 4.44Å; V12-F30 HydrophobicContact CG1-CE1 3.92Å; V12-F30 HydrophobicContact CG1-CZ 4.35Å; V14-F30 HydrophobicContact CG1-CE2 4.46Å; V14-F30 HydrophobicContact CG1-CZ 4.39Å; V14-F30 HydrophobicContact CG2-CE1 4.39Å; V14-F30 HydrophobicContact CG2-CE2 3.85Å; V14-F30 HydrophobicContact CG2-CZ 3.47Å; V14-F30 VanDerWaalsContact CG2-CZ 3.47Å; L26-F30 HydrophobicContact CB-CD2 4.3Å; L26-F30 HydrophobicContact CD1-CD2 4.32Å; L26-F30 HydrophobicContact CD1-CE2 3.89Å; L26-F30 HydrophobicContact CD2-CE2 4.49Å; L26-F30 HydrophobicContact CG-CD2 3.72Å; L26-F30 HydrophobicContact CG-CE2 3.64Å; L26-F30 VanDerWaalsContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CB 3.01Å; L26-F30 VanDerWaalsContact O-CD2 3.28Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 PolarHBondContact O-N 3.29Å; F30-Y32 PolarHBondContact O-N 3.02Å; F30-Y33 PolarHBondContact O-N 2.96Å; F30-G34 PolarHBondContact O-N 3.18Å; F30-L36 HydrophobicContact CB-CD1 4.03Å; F30-L36 HydrophobicContact CB-CD2 3.62Å; F30-L36 HydrophobicContact CB-CG 4.45Å; F30-V51 HydrophobicContact CB-CG1 3.86Å; F30-V51 HydrophobicContact CD1-CB 4.34Å; F30-V51 HydrophobicContact CD1-CG1 4.03Å; F30-V51 HydrophobicContact CD1-CG2 4.37Å; F30-V51 HydrophobicContact CD2-CG1 4.5Å; F30-V51 HydrophobicContact CD2-CG2 3.8Å; F30-V51 HydrophobicContact CE1-CG2 4.49Å; F30-V51 HydrophobicContact CE2-CG2 3.95Å; F30-V51 HydrophobicContact CG-CB 4.33Å; F30-V51 HydrophobicContact CG-CG1 3.88Å; F30-V51 HydrophobicContact CG-CG2 4Å; F30-V51 HydrophobicContact CZ-CG2 4.28Å; F30-F53 HydrophobicContact CB-CE1 4.48Å; F30-F53 HydrophobicContact CB-CE2 4.24Å; F30-F53 HydrophobicContact CB-CZ 3.69Å; F30-F53 AromaticContact CD1-CE2 3.59Å; F30-F53 HydrophobicContact CD1-CE2 3.59Å; F30-F53 AromaticContact CD1-CZ 3.6Å; F30-F53 HydrophobicContact CD1-CZ 3.6Å; F30-F53 HydrophobicContact CE1-CE2 4.4Å; F30-F53 HydrophobicContact CG-CE2 4.34Å; F30-F53 HydrophobicContact CG-CZ 4.14Å; F30-F53 WeakPolarHBondContact O-CE1 3.26Å; F30-A62 HydrophobicContact CD1-CB 3.99Å; F30-A62 HydrophobicContact CE1-CB 4.37Å; F30-L66 HydrophobicContact CD1-CD1 3.81Å; F30-L66 HydrophobicContact CD2-CD1 4.39Å; F30-L66 HydrophobicContact CE1-CD1 3.24Å; F30-L66 HydrophobicContact CE2-CD1 3.89Å; F30-L66 HydrophobicContact CG-CD1 4.39Å; F30-L66 HydrophobicContact CZ-CD1 3.3Å |
| 31 | G | 85 | Confident | 83.7 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.2 | -13.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | E27 Y33 G34 | E27-G31 WeakPolarHBondContact O-CA 3.46Å; E27-G31 PolarHBondContact O-N 3.46Å; G31-Y33 VanDerWaalsContact C-N 3.35Å; G31-G34 WeakPolarHBondContact CA-O 3.36Å |
| 32 | Y | 85.9 | Confident | 84.3 | Confident | 197 Ų | 197 | 71.1 Ų | 71.1 | 77% | 0.773 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -33.9 | 169.5 | -178.7 | -100.3 | 0 | 0 | 0 | 112.3 | R28 A29 F30 | R28-Y32 PolarHBondContact O-N 3Å; A29-Y32 WeakPolarHBondContact O-CB 3.23Å; F30-Y32 PolarHBondContact O-N 3.02Å |
| 33 | Y | 84.3 | Confident | 84.1 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 21% | 0.212 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -35.9 | -178.7 | -59.5 | -85.7 | 0 | 0 | 0 | 112.1 | A29 F30 G31 A62 E65 L66 | A29-Y33 VanDerWaalsContact O-CD2 3.23Å; A29-Y33 WeakPolarHBondContact O-CD2 3.17Å; A29-Y33 WeakPolarHBondContact O-CE2 3.2Å; F30-Y33 PolarHBondContact O-N 2.96Å; G31-Y33 VanDerWaalsContact C-N 3.35Å; Y33-A62 HydrophobicContact CD1-CB 4.23Å; Y33-A62 HydrophobicContact CD2-CB 3.7Å; Y33-A62 HydrophobicContact CE2-CB 4.23Å; Y33-A62 HydrophobicContact CG-CB 3.69Å; Y33-E65 HydrophobicContact CE1-CB 3.64Å; Y33-E65 HydrophobicContact CE1-CG 3.82Å; Y33-E65 WeakPolarHBondContact OH-CB 2.88Å; Y33-E65 VanDerWaalsContact OH-CG 3.25Å; Y33-E65 WeakPolarHBondContact OH-CG 3.29Å; Y33-L66 HydrophobicContact CE2-CD1 4.28Å; Y33-L66 HydrophobicContact CE2-CG 4.43Å |
| 34 | G | 85.6 | Confident | 83.3 | Confident | 11 Ų | 11 | 81.2 Ų | 81.2 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -178.5 | 172.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | F30 G31 L36 | F30-G34 PolarHBondContact O-N 3.18Å; G31-G34 WeakPolarHBondContact CA-O 3.36Å; G34-L36 PolarHBondContact O-N 3.05Å |
| 35 | P | 86.6 | Confident | 82.4 | Confident | 67 Ų | 67 | 81.3 Ų | 81.3 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | trans | -60.4 | 125.5 | 176.4 | 23.3 | -30.7 | 0 | 0 | 0 | 111.2 | E54 | P35-E54 HydrophobicContact CB-CB 4.25Å; P35-E54 HydrophobicContact CG-CB 4.02Å; P35-E54 PolarHBondContact O-N 2.77Å | ||
| 36 | L | 87.5 | Confident | 81.7 | Confident | 42 Ų | 42 | 82 Ų | 82 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.9 | 177.9 | -54.2 | 176.9 | 0 | 0 | 0 | 109.5 | E27 F30 G34 V39 V51 E52 F53 | E27-L36 HydrophobicContact CB-CD1 4.22Å; E27-L36 HydrophobicContact CG-CD1 4.14Å; E27-L36 WeakPolarHBondContact O-CD1 3.14Å; F30-L36 HydrophobicContact CB-CD1 4.03Å; F30-L36 HydrophobicContact CB-CD2 3.62Å; F30-L36 HydrophobicContact CB-CG 4.45Å; G34-L36 PolarHBondContact O-N 3.05Å; L36-V39 HydrophobicContact CB-CG2 4.33Å; L36-V39 HydrophobicContact CD1-CG2 3.82Å; L36-V51 HydrophobicContact CD2-CG1 3.65Å; L36-E52 CarbonylContact C-O 3.51Å; L36-F53 HydrophobicContact CD2-CD1 3.66Å; L36-F53 HydrophobicContact CD2-CD2 4.29Å; L36-F53 HydrophobicContact CD2-CE1 3.37Å; L36-F53 HydrophobicContact CD2-CE2 4.05Å; L36-F53 HydrophobicContact CD2-CG 4.12Å; L36-F53 HydrophobicContact CD2-CZ 3.6Å |
| 37 | R | 87.7 | Confident | 81.2 | Confident | 170 Ų | 170 | 82.9 Ų | 82.9 | 64% | 0.642 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | -44.8 | 173.8 | -179.6 | 171.7 | 175.4 | -176.8 | -0.5 | 111.5 | E52 | R37-E52 WeakPolarHBondContact CA-O 3.34Å; R37-E52 HydrophobicContact CB-CB 4.34Å; R37-E52 HydrophobicContact CB-CG 4.28Å; R37-E52 WeakPolarHBondContact CB-O 3.4Å; R37-E52 WeakPolarHBondContact CD-OE1 3.3Å; R37-E52 HydrophobicContact CG-CG 4.48Å; R37-E52 IonicContact CZ-OE1 3.59Å; R37-E52 PolarHBondContact N-O 2.98Å; R37-E52 IonicContact NE-OE1 3.2Å; R37-E52 PolarHBondContact NE-OE1 3.16Å; R37-E52 IonicContact NH1-OE1 3.9Å |
| 38 | S | 84.2 | Confident | 80.9 | Confident | 69 Ų | 69 | 81.9 Ų | 81.9 | 48% | 0.483 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 145.8 | 177.9 | -155 | 0 | 0 | 0 | 0 | 112.4 | E52 | S38-E52 PolarHBondContact N-O 3.08Å; S38-E52 PolarHBondContact O-N 3.05Å |
| 39 | V | 87.4 | Confident | 80.9 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 120.3 | 174.4 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | K23 L26 E27 L36 V51 | K23-V39 WeakPolarHBondContact CE-O 3.19Å; K23-V39 HydrophobicContact CG-CB 4.12Å; K23-V39 HydrophobicContact CG-CG1 3.8Å; L26-V39 HydrophobicContact CB-CG1 3.97Å; L26-V39 HydrophobicContact CD2-CG1 3.95Å; E27-V39 HydrophobicContact CG-CB 3.97Å; E27-V39 HydrophobicContact CG-CG1 4.37Å; E27-V39 HydrophobicContact CG-CG2 3.54Å; L36-V39 HydrophobicContact CB-CG2 4.33Å; L36-V39 HydrophobicContact CD1-CG2 3.82Å; V39-V51 HydrophobicContact CG1-CG2 4.27Å; V39-V51 HydrophobicContact CG2-CG1 4.3Å; V39-V51 HydrophobicContact CG2-CG2 4.45Å |
| 40 | W | 86 | Confident | 81 | Confident | 157 Ų | 157 | 74.4 Ų | 74.4 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123 | -179.9 | -172 | 84.5 | 0 | 0 | 0 | 110.3 | A42 A49 F50 | W40-A42 HydrophobicContact CE3-CB 4.1Å; W40-A42 HydrophobicContact CH2-CB 3.54Å; W40-A42 HydrophobicContact CZ3-CB 3.23Å; W40-A49 CarbonylContact O-C 3.42Å; W40-A49 VanDerWaalsContact O-CA 3.29Å; W40-A49 WeakPolarHBondContact O-CA 2.91Å; W40-F50 AromaticContact CE3-CD2 3.56Å; W40-F50 HydrophobicContact CE3-CD2 3.56Å; W40-F50 HydrophobicContact CE3-CE2 4.2Å; W40-F50 HydrophobicContact CE3-CG 4.4Å; W40-F50 AromaticContact CZ3-CD2 3.76Å; W40-F50 HydrophobicContact CZ3-CD2 3.76Å; W40-F50 AromaticContact CZ3-CE2 3.91Å; W40-F50 HydrophobicContact CZ3-CE2 3.91Å; W40-F50 PolarHBondContact N-O 3.12Å; W40-F50 PolarHBondContact O-N 3.36Å |
| 41 | V | 84.4 | Confident | 81.1 | Confident | 34 Ų | 34 | 74.2 Ų | 74.2 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | K23 A49 | K23-V41 HydrophobicContact CB-CG2 3.64Å; K23-V41 HydrophobicContact CG-CG2 4.45Å; V41-A49 HydrophobicContact CB-CB 4.34Å; V41-A49 HydrophobicContact CG1-CB 4.39Å; V41-A49 HydrophobicContact CG2-CB 3.97Å |
| 42 | A | 78.8 | Confident | 81.1 | Confident | 9 Ų | 9 | 74.2 Ų | 74.2 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 134.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | W40 F48 | W40-A42 HydrophobicContact CE3-CB 4.1Å; W40-A42 HydrophobicContact CH2-CB 3.54Å; W40-A42 HydrophobicContact CZ3-CB 3.23Å; A42-F48 WeakPolarHBondContact CA-O 3.43Å; A42-F48 HydrophobicContact CB-CB 3.85Å; A42-F48 WeakPolarHBondContact CB-O 3.44Å; A42-F48 PolarHBondContact N-O 3.2Å; A42-F48 VanDerWaalsContact O-O 3.07Å |
| 43 | R | 71.8 | Confident | 81.2 | Confident | 222 Ų | 222 | 64.8 Ų | 64.8 | 84% | 0.838 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -7.1 | 175.1 | -59.9 | -175.7 | -170.5 | -151.4 | 1.8 | 112.9 | P45 | R43-P45 CarbonylContact C-O 3.54Š|
| 44 | N | 66.3 | Low | 81.2 | Confident | 148 Ų | 148 | 68.3 Ų | 68.3 | 79% | 0.791 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.3 | 103.3 | 179.3 | -170.6 | 64.2 | 0 | 0 | 0 | 110.6 | ||
| 45 | P | 67.3 | Low | 81 | Confident | 77 Ų | 77 | 70 Ų | 70 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -67.1 | 158.6 | -1.7 | 25.5 | -31.7 | 0 | 0 | 0 | 113 | R43 F48 | R43-P45 CarbonylContact C-O 3.54Å; P45-F48 HydrophobicContact CB-CD2 4.04Å; P45-F48 HydrophobicContact CB-CE2 3.66Å; P45-F48 HydrophobicContact CG-CD2 3.64Å; P45-F48 HydrophobicContact CG-CE2 3.4Å; P45-F48 HydrophobicContact CG-CZ 4.26Å; P45-F48 WeakPolarHBondContact O-CD2 3.31Å |
| 46 | P | 66.4 | Low | 80.4 | Confident | 105 Ų | 105 | 68.6 Ų | 68.6 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 146.2 | -179.9 | 29 | -33.9 | 0 | 0 | 0 | 111.9 | F48 | P46-F48 WeakPolarHBondContact O-CD2 3.23Å; P46-F48 WeakPolarHBondContact O-CE2 3.33Å |
| 47 | G | 73.3 | Confident | 80.1 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 91.8 | 22.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G15 N16 L17 | G15-G47 CarbonylContact C-O 3.55Å; N16-G47 PolarHBondContact N-O 3.3Å; L17-G47 PolarHBondContact N-O 3.43Å; L17-G47 VanDerWaalsContact O-CA 3.22Å; L17-G47 WeakPolarHBondContact O-CA 3.48Å |
| 48 | F | 80.3 | Confident | 79.9 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 24% | 0.237 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.7 | 177.9 | -59.5 | -81.2 | 0 | 0 | 0 | 111.2 | Y13 V14 A42 P45 P46 | Y13-F48 HydrophobicContact CE1-CD1 4.49Å; Y13-F48 AromaticContact CE2-CD1 3.78Å; Y13-F48 HydrophobicContact CE2-CD1 3.78Å; Y13-F48 AromaticContact CZ-CD1 3.48Å; Y13-F48 VanDerWaalsContact CZ-CD1 3.48Å; Y13-F48 AromaticContact CZ-CE1 3.88Å; Y13-F48 WeakPolarHBondContact OH-CD1 3.46Å; Y13-F48 WeakPolarHBondContact OH-CE1 3.26Å; V14-F48 CarbonylContact O-C 3.55Å; V14-F48 WeakPolarHBondContact O-CA 3.48Å; A42-F48 WeakPolarHBondContact CA-O 3.43Å; A42-F48 HydrophobicContact CB-CB 3.85Å; A42-F48 WeakPolarHBondContact CB-O 3.44Å; A42-F48 PolarHBondContact N-O 3.2Å; A42-F48 VanDerWaalsContact O-O 3.07Å; P45-F48 HydrophobicContact CB-CD2 4.04Å; P45-F48 HydrophobicContact CB-CE2 3.66Å; P45-F48 HydrophobicContact CG-CD2 3.64Å; P45-F48 HydrophobicContact CG-CE2 3.4Å; P45-F48 HydrophobicContact CG-CZ 4.26Å; P45-F48 WeakPolarHBondContact O-CD2 3.31Å; P46-F48 WeakPolarHBondContact O-CD2 3.23Å; P46-F48 WeakPolarHBondContact O-CE2 3.33Å |
| 49 | A | 84.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 164 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V14 L17 L26 W40 V41 | V14-A49 HydrophobicContact CB-CB 4.34Å; V14-A49 PolarHBondContact N-O 3.24Å; V14-A49 PolarHBondContact O-N 2.97Å; L17-A49 HydrophobicContact CD1-CB 3.42Å; L17-A49 VanDerWaalsContact CD1-CB 3.42Å; L26-A49 HydrophobicContact CD2-CB 3.26Å; W40-A49 CarbonylContact O-C 3.42Å; W40-A49 VanDerWaalsContact O-CA 3.29Å; W40-A49 WeakPolarHBondContact O-CA 2.91Å; V41-A49 HydrophobicContact CB-CB 4.34Å; V41-A49 HydrophobicContact CG1-CB 4.39Å; V41-A49 HydrophobicContact CG2-CB 3.97Å |
| 50 | F | 84.9 | Confident | 79.1 | Confident | 67 Ų | 67 | 66.6 Ų | 66.6 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.2 | 179.5 | -69 | -97.3 | 0 | 0 | 0 | 107.7 | K11 V12 Y13 W40 | K11-F50 HydrophobicContact CD-CD1 4.16Å; K11-F50 HydrophobicContact CG-CD1 4.22Å; V12-F50 CarbonylContact O-C 3.58Å; V12-F50 WeakPolarHBondContact O-CA 3.48Å; Y13-F50 HydrophobicContact CD2-CD1 4.09Å; Y13-F50 HydrophobicContact CD2-CD2 4.48Å; Y13-F50 AromaticContact CD2-CE1 3.52Å; Y13-F50 HydrophobicContact CD2-CE1 3.52Å; Y13-F50 AromaticContact CD2-CE2 3.98Å; Y13-F50 HydrophobicContact CD2-CE2 3.98Å; Y13-F50 AromaticContact CD2-CZ 3.47Å; Y13-F50 HydrophobicContact CD2-CZ 3.47Å; Y13-F50 VanDerWaalsContact CD2-CZ 3.47Å; Y13-F50 HydrophobicContact CE2-CE1 4.33Å; Y13-F50 HydrophobicContact CE2-CE2 4.19Å; Y13-F50 AromaticContact CE2-CZ 3.84Å; Y13-F50 HydrophobicContact CE2-CZ 3.84Å; Y13-F50 HydrophobicContact CG-CE1 4.35Å; W40-F50 AromaticContact CE3-CD2 3.56Å; W40-F50 HydrophobicContact CE3-CD2 3.56Å; W40-F50 HydrophobicContact CE3-CE2 4.2Å; W40-F50 HydrophobicContact CE3-CG 4.4Å; W40-F50 AromaticContact CZ3-CD2 3.76Å; W40-F50 HydrophobicContact CZ3-CD2 3.76Å; W40-F50 AromaticContact CZ3-CE2 3.91Å; W40-F50 HydrophobicContact CZ3-CE2 3.91Å; W40-F50 PolarHBondContact N-O 3.12Å; W40-F50 PolarHBondContact O-N 3.36Å |
| 51 | V | 86.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.6 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | K11 V12 V14 L26 F30 L36 V39 F53 | K11-V51 CarbonylContact C-O 3.53Å; K11-V51 WeakPolarHBondContact CA-O 3.33Å; V12-V51 HydrophobicContact CB-CB 4.37Å; V12-V51 PolarHBondContact N-O 3.47Å; V12-V51 PolarHBondContact O-N 3.43Å; V14-V51 HydrophobicContact CG2-CG2 4.05Å; L26-V51 HydrophobicContact CB-CG2 4.37Å; L26-V51 HydrophobicContact CD2-CG2 3.33Å; L26-V51 HydrophobicContact CG-CG2 3.69Å; F30-V51 HydrophobicContact CB-CG1 3.86Å; F30-V51 HydrophobicContact CD1-CB 4.34Å; F30-V51 HydrophobicContact CD1-CG1 4.03Å; F30-V51 HydrophobicContact CD1-CG2 4.37Å; F30-V51 HydrophobicContact CD2-CG1 4.5Å; F30-V51 HydrophobicContact CD2-CG2 3.8Å; F30-V51 HydrophobicContact CE1-CG2 4.49Å; F30-V51 HydrophobicContact CE2-CG2 3.95Å; F30-V51 HydrophobicContact CG-CB 4.33Å; F30-V51 HydrophobicContact CG-CG1 3.88Å; F30-V51 HydrophobicContact CG-CG2 4Å; F30-V51 HydrophobicContact CZ-CG2 4.28Å; L36-V51 HydrophobicContact CD2-CG1 3.65Å; V39-V51 HydrophobicContact CG1-CG2 4.27Å; V39-V51 HydrophobicContact CG2-CG1 4.3Å; V39-V51 HydrophobicContact CG2-CG2 4.45Å; V51-F53 HydrophobicContact CG1-CD2 4.06Å; V51-F53 HydrophobicContact CG1-CE2 3.74Å; V51-F53 HydrophobicContact CG1-CZ 4.39Å |
| 52 | E | 85 | Confident | 78.5 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.7 | 174.6 | -161.9 | 170.5 | 94.2 | 0 | 0 | 108 | C10 K11 L36 R37 S38 | C10-E52 CarbonylContact O-C 3.48Å; C10-E52 VanDerWaalsContact O-CA 3.3Å; C10-E52 WeakPolarHBondContact O-CA 3.31Å; K11-E52 WeakPolarHBondContact CE-OE2 3.25Å; K11-E52 IonicContact NZ-OE2 2.79Å; K11-E52 PolarHBondContact NZ-OE2 3.42Å; L36-E52 CarbonylContact C-O 3.51Å; R37-E52 WeakPolarHBondContact CA-O 3.34Å; R37-E52 HydrophobicContact CB-CB 4.34Å; R37-E52 HydrophobicContact CB-CG 4.28Å; R37-E52 WeakPolarHBondContact CB-O 3.4Å; R37-E52 WeakPolarHBondContact CD-OE1 3.3Å; R37-E52 HydrophobicContact CG-CG 4.48Å; R37-E52 IonicContact CZ-OE1 3.59Å; R37-E52 PolarHBondContact N-O 2.98Å; R37-E52 IonicContact NE-OE1 3.2Å; R37-E52 PolarHBondContact NE-OE1 3.16Å; R37-E52 IonicContact NH1-OE1 3.9Å; S38-E52 PolarHBondContact N-O 3.08Å; S38-E52 PolarHBondContact O-N 3.05Å |
| 53 | F | 86.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 157.9 | 174.9 | -78.2 | -94.8 | 0 | 0 | 0 | 111.4 | C10 V12 F30 L36 V51 D55 D58 A59 A62 | C10-F53 HydrophobicContact CB-CB 4.16Å; C10-F53 WeakPolarHBondContact CB-O 2.95Å; C10-F53 PolarHBondContact O-N 3.13Å; V12-F53 HydrophobicContact CG2-CD2 4.05Å; V12-F53 HydrophobicContact CG2-CE2 3.98Å; F30-F53 HydrophobicContact CB-CE1 4.48Å; F30-F53 HydrophobicContact CB-CE2 4.24Å; F30-F53 HydrophobicContact CB-CZ 3.69Å; F30-F53 AromaticContact CD1-CE2 3.59Å; F30-F53 HydrophobicContact CD1-CE2 3.59Å; F30-F53 AromaticContact CD1-CZ 3.6Å; F30-F53 HydrophobicContact CD1-CZ 3.6Å; F30-F53 HydrophobicContact CE1-CE2 4.4Å; F30-F53 HydrophobicContact CG-CE2 4.34Å; F30-F53 HydrophobicContact CG-CZ 4.14Å; F30-F53 WeakPolarHBondContact O-CE1 3.26Å; L36-F53 HydrophobicContact CD2-CD1 3.66Å; L36-F53 HydrophobicContact CD2-CD2 4.29Å; L36-F53 HydrophobicContact CD2-CE1 3.37Å; L36-F53 HydrophobicContact CD2-CE2 4.05Å; L36-F53 HydrophobicContact CD2-CG 4.12Å; L36-F53 HydrophobicContact CD2-CZ 3.6Å; V51-F53 HydrophobicContact CG1-CD2 4.06Å; V51-F53 HydrophobicContact CG1-CE2 3.74Å; V51-F53 HydrophobicContact CG1-CZ 4.39Å; F53-D55 WeakPolarHBondContact CB-O 3.28Å; F53-D58 HydrophobicContact CD1-CB 3.86Å; F53-D58 HydrophobicContact CE1-CB 4.21Å; F53-A59 HydrophobicContact CB-CB 3.94Å; F53-A59 HydrophobicContact CD2-CB 3.61Å; F53-A59 HydrophobicContact CE2-CB 4.33Å; F53-A59 HydrophobicContact CG-CB 3.9Å; F53-A62 HydrophobicContact CE1-CB 4.4Å; F53-A62 HydrophobicContact CE2-CB 3.95Å; F53-A62 HydrophobicContact CZ-CB 3.53Å |
| 54 | E | 84.6 | Confident | 78.4 | Confident | 128 Ų | 128 | 61.3 Ų | 61.3 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -72.1 | -41.2 | 168 | -163.8 | 159.1 | 91.3 | 0 | 0 | 110.6 | P35 | P35-E54 HydrophobicContact CB-CB 4.25Å; P35-E54 HydrophobicContact CG-CB 4.02Å; P35-E54 PolarHBondContact O-N 2.77Å |
| 55 | D | 81.6 | Confident | 78.7 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | trans | -108.5 | 132.1 | 179.5 | -89.3 | -94.5 | 0 | 0 | 0 | 112.6 | F53 R57 D58 A59 | F53-D55 WeakPolarHBondContact CB-O 3.28Å; D55-R57 VanDerWaalsContact C-N 3.26Å; D55-R57 PolarHBondContact O-N 2.7Å; D55-R57 IonicContact OD1-CZ 3.6Å; D55-R57 IonicContact OD1-NE 3.55Å; D55-R57 IonicContact OD1-NH2 2.79Å; D55-R57 PolarHBondContact OD1-NH2 2.86Å; D55-D58 HydrophobicContact CB-CB 4.25Å; D55-D58 WeakPolarHBondContact CB-OD2 3.47Å; D55-D58 PolarHBondContact O-N 2.89Å; D55-A59 PolarHBondContact O-N 2.82Å | ||
| 56 | P | 74.9 | Confident | 78.8 | Confident | 39 Ų | 39 | 57 Ų | 57 | 25% | 0.253 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69 | -25.7 | 177.4 | 25.5 | -32.1 | 0 | 0 | 0 | 113 | D9 A59 A60 | D9-P56 WeakPolarHBondContact OD2-CB 3.12Å; P56-A59 PolarHBondContact O-N 2.85Å; P56-A60 WeakPolarHBondContact O-CB 3.44Å; P56-A60 PolarHBondContact O-N 3.35Å |
| 57 | R | 80.6 | Confident | 78.6 | Confident | 167 Ų | 167 | 56.9 Ų | 56.9 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.4 | -48.5 | 175.9 | -63.9 | 173.6 | -67.6 | 172.1 | 1.9 | 110.4 | D55 A59 A60 D61 | D55-R57 VanDerWaalsContact C-N 3.26Å; D55-R57 PolarHBondContact O-N 2.7Å; D55-R57 IonicContact OD1-CZ 3.6Å; D55-R57 IonicContact OD1-NE 3.55Å; D55-R57 IonicContact OD1-NH2 2.79Å; D55-R57 PolarHBondContact OD1-NH2 2.86Å; R57-A59 VanDerWaalsContact C-N 3.31Å; R57-A59 PolarHBondContact O-N 2.75Å; R57-A60 WeakPolarHBondContact O-CB 3.44Å; R57-A60 PolarHBondContact O-N 2.81Å; R57-A60 VanDerWaalsContact O-N 3.14Å; R57-D61 PolarHBondContact O-N 3.28Å |
| 58 | D | 84.2 | Confident | 77.4 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 178.3 | -56.1 | -9.1 | 0 | 0 | 0 | 111.1 | F53 D55 D61 A62 | F53-D58 HydrophobicContact CD1-CB 3.86Å; F53-D58 HydrophobicContact CE1-CB 4.21Å; D55-D58 HydrophobicContact CB-CB 4.25Å; D55-D58 WeakPolarHBondContact CB-OD2 3.47Å; D55-D58 PolarHBondContact O-N 2.89Å; D58-D61 PolarHBondContact O-N 2.74Å; D58-A62 VanDerWaalsContact O-CB 3.24Å; D58-A62 WeakPolarHBondContact O-CB 3.29Å; D58-A62 PolarHBondContact O-N 3.01Å |
| 59 | A | 78.6 | Confident | 75.8 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V12 F53 D55 P56 R57 V63 | V12-A59 HydrophobicContact CG2-CB 4.07Å; F53-A59 HydrophobicContact CB-CB 3.94Å; F53-A59 HydrophobicContact CD2-CB 3.61Å; F53-A59 HydrophobicContact CE2-CB 4.33Å; F53-A59 HydrophobicContact CG-CB 3.9Å; D55-A59 PolarHBondContact O-N 2.82Å; P56-A59 PolarHBondContact O-N 2.85Å; R57-A59 VanDerWaalsContact C-N 3.31Å; R57-A59 PolarHBondContact O-N 2.75Å; A59-V63 WeakPolarHBondContact O-CB 3.25Å; A59-V63 VanDerWaalsContact O-CG2 3.23Å; A59-V63 WeakPolarHBondContact O-CG2 3.46Å; A59-V63 PolarHBondContact O-N 3.26Å |
| 60 | A | 75.2 | Confident | 74 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P56 R57 V63 R64 | P56-A60 WeakPolarHBondContact O-CB 3.44Å; P56-A60 PolarHBondContact O-N 3.35Å; R57-A60 WeakPolarHBondContact O-CB 3.44Å; R57-A60 PolarHBondContact O-N 2.81Å; R57-A60 VanDerWaalsContact O-N 3.14Å; A60-V63 PolarHBondContact O-N 3.33Å; A60-R64 WeakPolarHBondContact O-CB 3.15Å; A60-R64 WeakPolarHBondContact O-CG 2.87Å; A60-R64 PolarHBondContact O-N 2.92Å |
| 61 | D | 79.3 | Confident | 71.6 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.8 | -84.5 | -72.3 | 0 | 0 | 0 | 112 | R57 D58 V63 R64 E65 | R57-D61 PolarHBondContact O-N 3.28Å; D58-D61 PolarHBondContact O-N 2.74Å; D61-V63 VanDerWaalsContact C-N 3.35Å; D61-V63 PolarHBondContact O-N 3.07Å; D61-R64 PolarHBondContact O-N 2.8Å; D61-E65 WeakPolarHBondContact O-CB 3.43Å; D61-E65 PolarHBondContact O-N 2.79Å |
| 62 | A | 79.2 | Confident | 69.4 | Low | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F30 Y33 F53 D58 L66 | F30-A62 HydrophobicContact CD1-CB 3.99Å; F30-A62 HydrophobicContact CE1-CB 4.37Å; Y33-A62 HydrophobicContact CD1-CB 4.23Å; Y33-A62 HydrophobicContact CD2-CB 3.7Å; Y33-A62 HydrophobicContact CE2-CB 4.23Å; Y33-A62 HydrophobicContact CG-CB 3.69Å; F53-A62 HydrophobicContact CE1-CB 4.4Å; F53-A62 HydrophobicContact CE2-CB 3.95Å; F53-A62 HydrophobicContact CZ-CB 3.53Å; D58-A62 VanDerWaalsContact O-CB 3.24Å; D58-A62 WeakPolarHBondContact O-CB 3.29Å; D58-A62 PolarHBondContact O-N 3.01Å; A62-L66 WeakPolarHBondContact O-CB 3.15Å; A62-L66 WeakPolarHBondContact O-CD1 3.49Å; A62-L66 WeakPolarHBondContact O-CG 3.43Å; A62-L66 PolarHBondContact O-N 2.93Å |
| 63 | V | 74.8 | Confident | 67.1 | Low | 13 Ų | 13 | 85.1 Ų | 85.1 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 176 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | V12 A59 A60 D61 E65 L66 D67 A78 | V12-V63 HydrophobicContact CB-CG2 4.1Å; V12-V63 HydrophobicContact CG1-CG2 3.46Å; V12-V63 VanDerWaalsContact CG1-CG2 3.46Å; V12-V63 HydrophobicContact CG2-CG2 3.53Å; A59-V63 WeakPolarHBondContact O-CB 3.25Å; A59-V63 VanDerWaalsContact O-CG2 3.23Å; A59-V63 WeakPolarHBondContact O-CG2 3.46Å; A59-V63 PolarHBondContact O-N 3.26Å; A60-V63 PolarHBondContact O-N 3.33Å; D61-V63 VanDerWaalsContact C-N 3.35Å; D61-V63 PolarHBondContact O-N 3.07Å; V63-E65 PolarHBondContact O-N 3Å; V63-L66 PolarHBondContact O-N 3.13Å; V63-D67 HydrophobicContact CG1-CB 4.48Å; V63-D67 WeakPolarHBondContact O-CA 3.47Å; V63-D67 WeakPolarHBondContact O-CB 3.43Å; V63-D67 PolarHBondContact O-N 2.82Å; V63-A78 HydrophobicContact CB-CB 4.43Å; V63-A78 HydrophobicContact CG1-CB 3.88Å; V63-A78 WeakPolarHBondContact CG1-O 3.47Å; V63-A78 HydrophobicContact CG2-CB 4.22Å |
| 64 | R | 73.1 | Confident | 64.9 | Low | 197 Ų | 197 | 86.4 Ų | 86.4 | 74% | 0.743 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.3 | -40.8 | -178.8 | -70.6 | 173.9 | 76.7 | 143.7 | 9.5 | 113 | A60 D61 G68 | A60-R64 WeakPolarHBondContact O-CB 3.15Å; A60-R64 WeakPolarHBondContact O-CG 2.87Å; A60-R64 PolarHBondContact O-N 2.92Å; D61-R64 PolarHBondContact O-N 2.8Å; R64-G68 PolarHBondContact O-N 2.72Å |
| 65 | E | 73.5 | Confident | 62.8 | Low | 109 Ų | 109 | 84.6 Ų | 84.6 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.4 | -34.5 | 179.3 | -161.9 | 91.7 | 83.7 | 0 | 0 | 111.8 | Y33 D61 V63 R69 | Y33-E65 HydrophobicContact CE1-CB 3.64Å; Y33-E65 HydrophobicContact CE1-CG 3.82Å; Y33-E65 WeakPolarHBondContact OH-CB 2.88Å; Y33-E65 VanDerWaalsContact OH-CG 3.25Å; Y33-E65 WeakPolarHBondContact OH-CG 3.29Å; D61-E65 WeakPolarHBondContact O-CB 3.43Å; D61-E65 PolarHBondContact O-N 2.79Å; V63-E65 PolarHBondContact O-N 3Å; E65-R69 WeakPolarHBondContact O-CB 3.07Å; E65-R69 WeakPolarHBondContact O-CG 3.22Å; E65-R69 PolarHBondContact O-N 2.97Å |
| 66 | L | 68.8 | Low | 61.3 | Low | 26 Ų | 26 | 84.3 Ų | 84.3 | 14% | 0.136 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -84.8 | -31 | -179.4 | -68 | 167.5 | 0 | 0 | 0 | 113.3 | F30 Y33 A62 V63 G68 | F30-L66 HydrophobicContact CD1-CD1 3.81Å; F30-L66 HydrophobicContact CD2-CD1 4.39Å; F30-L66 HydrophobicContact CE1-CD1 3.24Å; F30-L66 HydrophobicContact CE2-CD1 3.89Å; F30-L66 HydrophobicContact CG-CD1 4.39Å; F30-L66 HydrophobicContact CZ-CD1 3.3Å; Y33-L66 HydrophobicContact CE2-CD1 4.28Å; Y33-L66 HydrophobicContact CE2-CG 4.43Å; A62-L66 WeakPolarHBondContact O-CB 3.15Å; A62-L66 WeakPolarHBondContact O-CD1 3.49Å; A62-L66 WeakPolarHBondContact O-CG 3.43Å; A62-L66 PolarHBondContact O-N 2.93Å; V63-L66 PolarHBondContact O-N 3.13Å; L66-G68 VanDerWaalsContact C-N 3.26Å; L66-G68 PolarHBondContact O-N 3.2Å |
| 67 | D | 62.6 | Low | 60.1 | Low | 102 Ų | 102 | 86.1 Ų | 86.1 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.5 | -23.5 | 175 | -167.7 | -110.2 | 0 | 0 | 0 | 111.6 | V63 | V63-D67 HydrophobicContact CG1-CB 4.48Å; V63-D67 WeakPolarHBondContact O-CA 3.47Å; V63-D67 WeakPolarHBondContact O-CB 3.43Å; V63-D67 PolarHBondContact O-N 2.82Å |
| 68 | G | 47.9 | Very low | 58.7 | Low | 52 Ų | 52 | 78.4 Ų | 78.4 | 54% | 0.536 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -98.3 | -16.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | R64 L66 L70 | R64-G68 PolarHBondContact O-N 2.72Å; L66-G68 VanDerWaalsContact C-N 3.26Å; L66-G68 PolarHBondContact O-N 3.2Å; G68-L70 VanDerWaalsContact C-N 3.35Å; G68-L70 PolarHBondContact O-N 3.3Å |
| 69 | R | 46.8 | Very low | 57 | Low | 192 Ų | 192 | 84 Ų | 84 | 73% | 0.725 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 4.1 | -173.2 | -86.6 | -174.5 | 68.8 | 155.5 | 1 | 115.4 | E65 | E65-R69 WeakPolarHBondContact O-CB 3.07Å; E65-R69 WeakPolarHBondContact O-CG 3.22Å; E65-R69 PolarHBondContact O-N 2.97Å |
| 70 | L | 45.6 | Very low | 55.3 | Low | 55 Ų | 55 | 86 Ų | 86 | 29% | 0.288 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 31.2 | -170.7 | -67.7 | 161.4 | 0 | 0 | 0 | 114.4 | G68 C72 G74 I76 | G68-L70 VanDerWaalsContact C-N 3.35Å; G68-L70 PolarHBondContact O-N 3.3Å; L70-C72 PolarHBondContact O-N 3.17Å; L70-G74 VanDerWaalsContact CD1-O 3.3Å; L70-G74 WeakPolarHBondContact CD1-O 3.34Å; L70-G74 VanDerWaalsContact CD2-O 3.26Å; L70-G74 WeakPolarHBondContact CD2-O 3.44Å; L70-G74 WeakPolarHBondContact CG-O 3.49Å; L70-I76 HydrophobicContact CD1-CB 3.41Å; L70-I76 VanDerWaalsContact CD1-CB 3.41Å; L70-I76 HydrophobicContact CD1-CD1 3.96Å; L70-I76 HydrophobicContact CD1-CG1 3.61Å |
| 71 | E | 35.9 | Very low | 54 | Low | 182 Ų | 182 | 90.9 Ų | 90.9 | 85% | 0.85 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 16.3 | 165.6 | -74.2 | -76.3 | 99 | 0 | 0 | 113.3 | ||
| 72 | C | 38.3 | Very low | 52.7 | Low | 113 Ų | 113 | 92.7 Ų | 92.7 | 76% | 0.764 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.1 | 103.1 | 172.1 | -76.1 | 0 | 0 | 0 | 0 | 109.7 | L70 | L70-C72 PolarHBondContact O-N 3.17Š|
| 73 | N | 37.6 | Very low | 51.2 | Low | 181 Ų | 181 | 97.8 Ų | 97.8 | 97% | 0.968 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 15.5 | 156.3 | -97.6 | 18.7 | 0 | 0 | 0 | 122.7 | ||
| 74 | G | 39.9 | Very low | 49.7 | Very low | 27 Ų | 27 | 103.4 Ų | 103.4 | 28% | 0.278 | 54% | 0.54 | S | S | . | . | trans | -175 | 96.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L70 I76 | L70-G74 VanDerWaalsContact CD1-O 3.3Å; L70-G74 WeakPolarHBondContact CD1-O 3.34Å; L70-G74 VanDerWaalsContact CD2-O 3.26Å; L70-G74 WeakPolarHBondContact CD2-O 3.44Å; L70-G74 WeakPolarHBondContact CG-O 3.49Å; G74-I76 PolarHBondContact O-N 2.8Å | ||
| 75 | V | 41.5 | Very low | 48.4 | Very low | 90 Ų | 90 | 102.5 Ų | 102.5 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | trans | -76.3 | 85.8 | -165.1 | -163.9 | 0 | 0 | 0 | 0 | 112.4 | N16 L77 | N16-V75 WeakPolarHBondContact CB-O 3.42Å; N16-V75 PolarHBondContact ND2-N 3.44Å; N16-V75 PolarHBondContact ND2-O 3.28Å; N16-V75 VanDerWaalsContact ND2-O 3.13Å; V75-L77 HydrophobicContact CG1-CD1 4.42Å; V75-L77 PolarHBondContact O-N 3.21Å; V75-L77 VanDerWaalsContact O-N 3.08Å | ||
| 76 | I | 48.3 | Very low | 47 | Very low | 40 Ų | 40 | 99.9 Ų | 99.9 | 21% | 0.205 | 55% | 0.552 | C | S | . | * | trans | -69.8 | 106.1 | 166.4 | -64.4 | -179.8 | 0 | 0 | 0 | 108.1 | V14 G15 L17 L70 G74 A78 | V14-I76 HydrophobicContact CB-CG2 4.47Å; V14-I76 HydrophobicContact CG1-CD1 4.47Å; V14-I76 HydrophobicContact CG1-CG2 3.36Å; G15-I76 WeakPolarHBondContact O-CA 3.35Å; L17-I76 HydrophobicContact CD2-CD1 4.06Å; L70-I76 HydrophobicContact CD1-CB 3.41Å; L70-I76 VanDerWaalsContact CD1-CB 3.41Å; L70-I76 HydrophobicContact CD1-CD1 3.96Å; L70-I76 HydrophobicContact CD1-CG1 3.61Å; G74-I76 PolarHBondContact O-N 2.8Å; I76-A78 PolarHBondContact O-N 3.13Å; I76-A78 VanDerWaalsContact O-N 3.16Å | ||
| 77 | L | 50.6 | Low | 45.8 | Very low | 76 Ų | 76 | 104.7 Ų | 104.7 | 40% | 0.398 | 59% | 0.587 | S | S | . | * | trans | -84.4 | 90.9 | -179.9 | -157.8 | 91 | 0 | 0 | 0 | 109 | Y13 V75 R79 | Y13-L77 VanDerWaalsContact CD1-O 3.31Å; Y13-L77 WeakPolarHBondContact CD1-O 3.44Å; V75-L77 HydrophobicContact CG1-CD1 4.42Å; V75-L77 PolarHBondContact O-N 3.21Å; V75-L77 VanDerWaalsContact O-N 3.08Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 HydrophobicContact CD2-CG 3.71Å; L77-R79 HydrophobicContact CG-CG 4.06Å; L77-R79 PolarHBondContact O-N 3.29Å; L77-R79 VanDerWaalsContact O-N 3.12Å | ||
| 78 | A | 52.2 | Low | 45.2 | Very low | 5 Ų | 5 | 104.4 Ų | 104.4 | 4% | 0.041 | 59% | 0.593 | C | S | . | * | trans | -83.8 | 76.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V12 Y13 V63 I76 C80 | V12-A78 HydrophobicContact CG1-CB 4.35Å; Y13-A78 VanDerWaalsContact O-CA 3.31Å; Y13-A78 WeakPolarHBondContact O-CA 3.33Å; V63-A78 HydrophobicContact CB-CB 4.43Å; V63-A78 HydrophobicContact CG1-CB 3.88Å; V63-A78 WeakPolarHBondContact CG1-O 3.47Å; V63-A78 HydrophobicContact CG2-CB 4.22Å; I76-A78 PolarHBondContact O-N 3.13Å; I76-A78 VanDerWaalsContact O-N 3.16Å; A78-C80 PolarHBondContact O-N 2.7Å; A78-C80 VanDerWaalsContact O-N 3.09Å | ||
| 79 | R | 46.8 | Very low | 45.4 | Very low | 157 Ų | 157 | 109.2 Ų | 109.2 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | trans | -76 | 101.7 | 173.8 | -74.6 | -179.8 | 89.5 | 128.1 | -1.6 | 109.4 | L77 | L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 HydrophobicContact CD2-CG 3.71Å; L77-R79 HydrophobicContact CG-CG 4.06Å; L77-R79 PolarHBondContact O-N 3.29Å; L77-R79 VanDerWaalsContact O-N 3.12Å | ||
| 80 | C | 44.4 | Very low | 45.7 | Very low | 45 Ų | 45 | 104.6 Ų | 104.6 | 30% | 0.304 | 60% | 0.604 | S | S | . | * | trans | -60.5 | 138.2 | 147.4 | -77.5 | 0 | 0 | 0 | 0 | 107.8 | A78 L82 | A78-C80 PolarHBondContact O-N 2.7Å; A78-C80 VanDerWaalsContact O-N 3.09Å; C80-L82 HydrophobicContact CB-CB 3.89Å; C80-L82 PolarHBondContact O-N 2.68Å | ||
| 81 | N | 47.5 | Very low | 46.4 | Very low | 145 Ų | 145 | 107.8 Ų | 107.8 | 78% | 0.775 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -69.2 | 21.3 | 170.4 | -164 | 47 | 0 | 0 | 0 | 112.6 | C83 | N81-C83 VanDerWaalsContact C-N 3.29Å; N81-C83 PolarHBondContact O-N 2.78Å |
| 82 | L | 52.7 | Low | 46.9 | Very low | 140 Ų | 140 | 103.8 Ų | 103.8 | 73% | 0.733 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -71.1 | -16.3 | -167.4 | -173 | 58.9 | 0 | 0 | 0 | 113.7 | C80 | C80-L82 HydrophobicContact CB-CB 3.89Å; C80-L82 PolarHBondContact O-N 2.68Å |
| 83 | C | 46.4 | Very low | 47.9 | Very low | 107 Ų | 107 | 104.4 Ų | 104.4 | 72% | 0.723 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -138.4 | 52.1 | -172.5 | -71.2 | 0 | 0 | 0 | 0 | 115 | N81 | N81-C83 VanDerWaalsContact C-N 3.29Å; N81-C83 PolarHBondContact O-N 2.78Å |
| 84 | L | 43.9 | Very low | 48.4 | Very low | 130 Ų | 130 | 100.4 Ų | 100.4 | 68% | 0.681 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -115.7 | -2.9 | 157.2 | -82 | 168.8 | 0 | 0 | 0 | 114.2 | ||
| 85 | L | 44.8 | Very low | 48.5 | Very low | 179 Ų | 179 | 107.9 Ų | 107.9 | 94% | 0.937 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -134.2 | 48.5 | 173.6 | -147.8 | 81.8 | 0 | 0 | 0 | 111.3 | ||
| 86 | G | 44.7 | Very low | 48.8 | Very low | 54 Ų | 54 | 108.8 Ų | 108.8 | 56% | 0.557 | 69% | 0.689 | S | S | * | * | trans | -131.6 | 22.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S88 | G86-S88 PolarHBondContact O-N 2.74Š| ||
| 87 | S | 43.7 | Very low | 48.9 | Very low | 127 Ų | 127 | 112.4 Ų | 112.4 | 89% | 0.888 | 72% | 0.715 | S | S | * | * | trans | -73.8 | 72 | 161.9 | -54.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 88 | S | 50.1 | Low | 48.8 | Very low | 96 Ų | 96 | 114.4 Ų | 114.4 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | -146.3 | 67.6 | 158.1 | 8.3 | 0 | 0 | 0 | 0 | 108.2 | G86 S90 | G86-S88 PolarHBondContact O-N 2.74Å; S88-S90 VanDerWaalsContact C-N 3.26Å; S88-S90 PolarHBondContact O-N 2.91Å; S88-S90 VanDerWaalsContact O-N 3.12Å | ||
| 89 | D | 51.3 | Low | 48.6 | Very low | 153 Ų | 153 | 120.8 Ų | 120.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -62 | 98.3 | 146.4 | -157.8 | -73.5 | 0 | 0 | 0 | 106.6 | ||||
| 90 | S | 53 | Low | 48.7 | Very low | 95 Ų | 95 | 118.6 Ų | 118.6 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | -143.6 | 94.2 | 168.5 | -69.7 | 0 | 0 | 0 | 0 | 108.1 | S88 A92 | S88-S90 VanDerWaalsContact C-N 3.26Å; S88-S90 PolarHBondContact O-N 2.91Å; S88-S90 VanDerWaalsContact O-N 3.12Å; S90-A92 PolarHBondContact O-N 3.1Å; S90-A92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | P | 60 | Low | 49 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -77.9 | 90.9 | 165.6 | 32.2 | -29.2 | 0 | 0 | 0 | 107.6 | ||||
| 92 | A | 48.4 | Very low | 49.1 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -134.9 | 70.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S90 | S90-A92 PolarHBondContact O-N 3.1Å; S90-A92 VanDerWaalsContact O-N 3.11Å | ||
| 93 | S | 58.2 | Low | 48.8 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -131.6 | 95.4 | 153.4 | -162.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 94 | A | 47.5 | Very low | 49 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | trans | -158.2 | 108 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 95 | A | 42.5 | Very low | 49.5 | Very low | 183 Ų | 183 | 120.9 Ų | 120.9 | 100% | 1.512 | 85% | 0.848 | S | S | * | * | trans | 44.7 | 0 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.9 |
Retrieved 95 of 95 residues in 48.7 ms
(Link to these results)