| 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 | 50.9 | Low | 52.9 | Low | 248 Ų | 248 | 146.5 Ų | 146.5 | 100% | 1.222 | 79% | 0.791 | S | S | * | * | 0 | 124.2 | 0 | -79.3 | -168 | -150.5 | 0 | 0 | 109.7 | N3 | M1-N3 PolarHBondContact O-N 3.3Š| |||
| 2 | G | 53.2 | Low | 53 | Low | 68 Ų | 68 | 149.1 Ų | 149.1 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 97.4 | -65 | 148.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 3 | N | 58.2 | Low | 53.6 | Low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -109.1 | -0.8 | -155.3 | -71.5 | -9.8 | 0 | 0 | 0 | 116.6 | M1 | M1-N3 PolarHBondContact O-N 3.3Š|
| 4 | M | 57.6 | Low | 54.5 | Low | 181 Ų | 181 | 139.9 Ų | 139.9 | 89% | 0.892 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -86.4 | -25.5 | -177.9 | -87.4 | 173.2 | 62.9 | 0 | 0 | 114.7 | ||
| 5 | F | 56 | Low | 56.2 | Low | 189 Ų | 189 | 138.7 Ų | 138.7 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -90.2 | -15.3 | 176.8 | -72.4 | -80.1 | 0 | 0 | 0 | 113.2 | G7 | F5-G7 VanDerWaalsContact C-N 3.25Å; F5-G7 PolarHBondContact O-N 3.33Å |
| 6 | A | 56.1 | Low | 57.7 | Low | 86 Ų | 86 | 140.1 Ų | 140.1 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -73.8 | -11.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 7 | G | 54.1 | Low | 59.2 | Low | 53 Ų | 53 | 134.5 Ų | 134.5 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -98.6 | -48.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | F5 | F5-G7 VanDerWaalsContact C-N 3.25Å; F5-G7 PolarHBondContact O-N 3.33Å |
| 8 | L | 47.6 | Very low | 60.6 | Low | 153 Ų | 153 | 131.6 Ų | 131.6 | 80% | 0.801 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -103.5 | -6.6 | -163.7 | -112.8 | 97.3 | 0 | 0 | 0 | 117.1 | K10 | L8-K10 PolarHBondContact O-N 2.87Š|
| 9 | F | 45.5 | Very low | 61.9 | Low | 174 Ų | 174 | 127.4 Ų | 127.4 | 76% | 0.763 | 66% | 0.662 | S | S | * | * | trans | -69.7 | 51.8 | 151.2 | -81.8 | -85.9 | 0 | 0 | 0 | 109.9 | M11 F12 | F9-M11 PolarHBondContact O-N 2.78Å; F9-F12 HydrophobicContact CD1-CD2 4.23Å | ||
| 10 | K | 49.4 | Very low | 63.1 | Low | 155 Ų | 155 | 122 Ų | 122 | 67% | 0.674 | 63% | 0.634 | S | S | * | * | trans | -44.1 | 90.4 | 149.6 | -173 | -173.3 | -170.1 | -178.9 | 0 | 107.6 | L8 F12 | L8-K10 PolarHBondContact O-N 2.87Å; K10-F12 VanDerWaalsContact C-N 3.29Å; K10-F12 WeakPolarHBondContact O-CD2 3.11Å; K10-F12 PolarHBondContact O-N 2.78Å | ||
| 11 | M | 53.6 | Low | 64.1 | Low | 158 Ų | 158 | 118 Ų | 118 | 78% | 0.778 | 61% | 0.612 | S | S | * | * | trans | 42 | 52.8 | 143.7 | -73.6 | 165.9 | -91.5 | 0 | 0 | 114.4 | F9 G13 | F9-M11 PolarHBondContact O-N 2.78Å; M11-G13 PolarHBondContact O-N 3.35Å | ||
| 12 | F | 53.6 | Low | 65.7 | Low | 177 Ų | 177 | 109.2 Ų | 109.2 | 78% | 0.776 | 57% | 0.573 | S | S | * | * | trans | -74.9 | 55.5 | -176.5 | -90.6 | -91.5 | 0 | 0 | 0 | 112.1 | F9 K10 | F9-F12 HydrophobicContact CD1-CD2 4.23Å; K10-F12 VanDerWaalsContact C-N 3.29Å; K10-F12 WeakPolarHBondContact O-CD2 3.11Å; K10-F12 PolarHBondContact O-N 2.78Å | ||
| 13 | G | 61.8 | Low | 67.1 | Low | 46 Ų | 46 | 107 Ų | 107 | 47% | 0.474 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -122.7 | 125.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | M11 K15 | M11-G13 PolarHBondContact O-N 3.35Å; G13-K15 PolarHBondContact O-N 3.39Å; G13-K15 VanDerWaalsContact O-N 3.1Å |
| 14 | K | 65.9 | Low | 68.2 | Low | 123 Ų | 123 | 105.3 Ų | 105.3 | 54% | 0.535 | 54% | 0.54 | S | S | . | . | trans | -55.5 | 120.4 | 163.2 | -75.8 | -173.9 | 176.6 | -177.3 | 0 | 106.2 | E16 E56 N59 | K14-E16 PolarHBondContact O-N 3.27Å; K14-E16 VanDerWaalsContact O-N 3.11Å; K14-E56 IonicContact NZ-OE1 2.62Å; K14-E56 PolarHBondContact NZ-OE1 2.83Å; K14-E56 IonicContact NZ-OE2 3.4Å; K14-E56 PolarHBondContact NZ-OE2 2.84Å; K14-N59 CarbonylContact C-O 3.54Å; K14-N59 VanDerWaalsContact CA-O 3.31Å; K14-N59 WeakPolarHBondContact CA-O 3.31Å | ||
| 15 | K | 79.1 | Confident | 69.4 | Low | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 106.4 | 175.8 | -174.4 | -179.2 | 178.1 | -176.5 | 0 | 106.7 | G13 M17 N59 I60 S61 | G13-K15 PolarHBondContact O-N 3.39Å; G13-K15 VanDerWaalsContact O-N 3.1Å; K15-M17 HydrophobicContact CD-CG 4.32Å; K15-M17 HydrophobicContact CD-SD 4Å; K15-M17 HydrophobicContact CG-CG 4.1Å; K15-M17 HydrophobicContact CG-SD 4.41Å; K15-N59 PolarHBondContact N-O 3.32Å; K15-I60 HydrophobicContact CB-CG1 4.46Å; K15-I60 WeakPolarHBondContact O-CA 3.39Å; K15-I60 WeakPolarHBondContact O-CG2 3.02Å; K15-S61 PolarHBondContact O-N 3.04Å |
| 16 | E | 80.6 | Confident | 70.5 | Confident | 161 Ų | 161 | 95.1 Ų | 95.1 | 75% | 0.752 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 127.5 | 173.5 | -65.6 | -172.6 | 174.4 | 0 | 0 | 109.5 | K14 S61 | K14-E16 PolarHBondContact O-N 3.27Å; K14-E16 VanDerWaalsContact O-N 3.11Å; E16-S61 CarbonylContact C-O 3.51Å; E16-S61 WeakPolarHBondContact CA-O 3.46Å |
| 17 | M | 82.9 | Confident | 71.9 | Confident | 45 Ų | 45 | 94.1 Ų | 94.1 | 22% | 0.222 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.3 | 176.1 | -64 | -173.8 | 60.6 | 0 | 0 | 108.8 | K15 I60 S61 F62 T63 Q85 | K15-M17 HydrophobicContact CD-CG 4.32Å; K15-M17 HydrophobicContact CD-SD 4Å; K15-M17 HydrophobicContact CG-CG 4.1Å; K15-M17 HydrophobicContact CG-SD 4.41Å; M17-I60 HydrophobicContact CB-CG2 4.41Å; M17-I60 HydrophobicContact CG-CG2 4.09Å; M17-I60 HydrophobicContact SD-CG2 3.91Å; M17-S61 PolarHBondContact N-O 2.89Å; M17-F62 HydrophobicContact CB-CB 4.18Å; M17-F62 CarbonylContact O-C 3.52Å; M17-F62 WeakPolarHBondContact O-CA 3.25Å; M17-T63 PolarHBondContact O-N 3.29Å; M17-Q85 HydrophobicContact CE-CB 4.2Å |
| 18 | R | 83.9 | Confident | 73.5 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.1 | 169.8 | -179.4 | -179.2 | -69.6 | -163.5 | -5.2 | 107.3 | Q85 | R18-Q85 VanDerWaalsContact CB-OE1 3.27Å; R18-Q85 PolarHBondContact O-N 3.26Å; R18-Q85 PolarHBondContact O-OE1 3.34Å |
| 19 | I | 85.3 | Confident | 75.4 | Confident | 52 Ų | 52 | 86.4 Ų | 86.4 | 27% | 0.267 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.8 | 176.8 | -62.2 | 177.9 | 0 | 0 | 0 | 107.8 | F62 T63 V64 W65 G86 | I19-F62 HydrophobicContact CD1-CB 3.78Å; I19-F62 HydrophobicContact CD1-CD1 4.48Å; I19-F62 HydrophobicContact CD1-CD2 3.83Å; I19-F62 HydrophobicContact CD1-CG 3.8Å; I19-F62 HydrophobicContact CG1-CB 4.1Å; I19-T63 PolarHBondContact N-O 2.87Å; I19-V64 VanDerWaalsContact O-CA 3.26Å; I19-V64 WeakPolarHBondContact O-CA 3.14Å; I19-W65 PolarHBondContact O-N 3.2Å; I19-G86 CarbonylContact C-O 3.55Å; I19-G86 VanDerWaalsContact CA-O 3.25Å; I19-G86 WeakPolarHBondContact CA-O 3.35Å |
| 20 | L | 86 | Confident | 77.4 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 10% | 0.099 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.7 | 175.4 | 179.3 | 68.5 | 0 | 0 | 0 | 109.7 | V22 W65 V67 F81 T84 G86 | L20-V22 HydrophobicContact CD1-CG1 4.46Å; L20-V22 HydrophobicContact CD2-CG1 3.95Å; L20-V22 HydrophobicContact CG-CG1 3.94Å; L20-W65 HydrophobicContact CD1-CB 3.37Å; L20-W65 HydrophobicContact CD1-CG 4.28Å; L20-V67 HydrophobicContact CD1-CG2 3.82Å; L20-F81 HydrophobicContact CD2-CD1 3.29Å; L20-F81 HydrophobicContact CD2-CE1 3.42Å; L20-F81 VanDerWaalsContact CD2-CE1 3.42Å; L20-T84 HydrophobicContact CB-CG2 3.65Å; L20-G86 PolarHBondContact N-O 3.27Å |
| 21 | M | 85.4 | Confident | 79.3 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 19% | 0.187 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 105.7 | 175.8 | -162.5 | 177.7 | -76 | 0 | 0 | 110 | K29 I32 V64 W65 V67 | M21-K29 HydrophobicContact CG-CB 4.04Å; M21-K29 HydrophobicContact CG-CD 4.01Å; M21-K29 HydrophobicContact CG-CG 4.01Å; M21-K29 VanDerWaalsContact SD-CA 3.51Å; M21-K29 HydrophobicContact SD-CB 3.53Å; M21-K29 VanDerWaalsContact SD-CB 3.53Å; M21-K29 HydrophobicContact SD-CG 4.05Å; M21-K29 VanDerWaalsContact SD-O 3.34Å; M21-I32 HydrophobicContact CE-CG2 4.2Å; M21-V64 HydrophobicContact CB-CG1 3.82Å; M21-V64 HydrophobicContact CE-CG1 4.25Å; M21-W65 PolarHBondContact N-O 3.32Å; M21-V67 PolarHBondContact O-N 3.36Å |
| 22 | V | 84 | Confident | 80.9 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | trans | -110 | 155.3 | 174.2 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | L20 W77 | L20-V22 HydrophobicContact CD1-CG1 4.46Å; L20-V22 HydrophobicContact CD2-CG1 3.95Å; L20-V22 HydrophobicContact CG-CG1 3.94Å; V22-W77 HydrophobicContact CB-CD2 4.39Å; V22-W77 HydrophobicContact CB-CE3 4.04Å; V22-W77 HydrophobicContact CB-CH2 4.28Å; V22-W77 HydrophobicContact CB-CZ3 3.99Å; V22-W77 HydrophobicContact CG1-CD2 4.01Å; V22-W77 HydrophobicContact CG1-CE3 3.99Å; V22-W77 HydrophobicContact CG1-CG 4.36Å; V22-W77 HydrophobicContact CG1-CZ3 4.45Å | ||
| 23 | G | 82.8 | Confident | 82.5 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | trans | 162.9 | 167.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K29 | G23-K29 PolarHBondContact O-NZ 3.23Š| ||
| 24 | L | 81.6 | Confident | 83.7 | Confident | 112 Ų | 112 | 62.4 Ų | 62.4 | 59% | 0.586 | 34% | 0.338 | S | S | * | . | trans | -57.2 | 161.3 | 179.2 | -61.1 | 178.7 | 0 | 0 | 0 | 111.8 | A27 K29 R74 | L24-A27 HydrophobicContact CB-CB 4.44Å; L24-A27 VanDerWaalsContact O-CB 3.22Å; L24-A27 WeakPolarHBondContact O-CB 3.34Å; L24-A27 PolarHBondContact O-N 3.11Å; L24-K29 PolarHBondContact O-NZ 3.45Å; L24-R74 VanDerWaalsContact CD2-NH2 3.33Å | ||
| 25 | D | 81.2 | Confident | 84.7 | Confident | 69 Ų | 69 | 62.1 Ų | 62.1 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 145.9 | 172.4 | -166.3 | 28 | 0 | 0 | 0 | 109.8 | A27 | D25-A27 PolarHBondContact O-N 3.1Š|
| 26 | A | 80.6 | Confident | 84.9 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 15.1 | -175 | 0 | 0 | 0 | 0 | 0 | 116.5 | G28 | A26-G28 PolarHBondContact O-N 2.86Š|
| 27 | A | 85.6 | Confident | 85.1 | Confident | 64 Ų | 64 | 57.4 Ų | 57.4 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -68.6 | -2.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L24 D25 | L24-A27 HydrophobicContact CB-CB 4.44Å; L24-A27 VanDerWaalsContact O-CB 3.22Å; L24-A27 WeakPolarHBondContact O-CB 3.34Å; L24-A27 PolarHBondContact O-N 3.11Å; D25-A27 PolarHBondContact O-N 3.1Å |
| 28 | G | 86.8 | Confident | 85.2 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 87.4 | 15.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A26 T30 T31 I32 | A26-G28 PolarHBondContact O-N 2.86Å; G28-T30 PolarHBondContact O-N 2.99Å; G28-T31 WeakPolarHBondContact O-CB 3.41Å; G28-T31 PolarHBondContact O-N 2.9Å; G28-I32 PolarHBondContact O-N 2.98Å |
| 29 | K | 88.8 | Confident | 85.1 | Confident | 19 Ų | 19 | 59 Ų | 59 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -53.3 | -55.7 | 179.5 | -63.3 | -169.6 | -59.4 | -80.2 | 0 | 112.6 | M21 G23 L24 T31 I32 L33 D66 V67 | M21-K29 HydrophobicContact CG-CB 4.04Å; M21-K29 HydrophobicContact CG-CD 4.01Å; M21-K29 HydrophobicContact CG-CG 4.01Å; M21-K29 VanDerWaalsContact SD-CA 3.51Å; M21-K29 HydrophobicContact SD-CB 3.53Å; M21-K29 VanDerWaalsContact SD-CB 3.53Å; M21-K29 HydrophobicContact SD-CG 4.05Å; M21-K29 VanDerWaalsContact SD-O 3.34Å; G23-K29 PolarHBondContact O-NZ 3.23Å; L24-K29 PolarHBondContact O-NZ 3.45Å; K29-T31 VanDerWaalsContact C-N 3.27Å; K29-T31 PolarHBondContact O-N 2.84Å; K29-I32 PolarHBondContact O-N 3Å; K29-L33 PolarHBondContact O-N 3.13Å; K29-D66 WeakPolarHBondContact CB-OD1 3.33Å; K29-D66 WeakPolarHBondContact CE-OD1 3.37Å; K29-V67 WeakPolarHBondContact CE-O 3.38Å; K29-V67 PolarHBondContact NZ-O 3.28Å |
| 30 | T | 86.6 | Confident | 84.9 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -35.1 | 179.2 | -35.3 | 0 | 0 | 0 | 0 | 112.1 | G28 L33 Y34 T44 T47 D66 | G28-T30 PolarHBondContact O-N 2.99Å; T30-L33 WeakPolarHBondContact O-CB 3.39Å; T30-L33 PolarHBondContact O-N 2.98Å; T30-Y34 HydrophobicContact CG2-CD2 4.21Å; T30-Y34 HydrophobicContact CG2-CE2 3.89Å; T30-Y34 PolarHBondContact O-N 3.19Å; T30-T44 HydrophobicContact CG2-CG2 3.74Å; T30-T47 PolarHBondContact OG1-OG1 2.92Å; T30-D66 PolarHBondContact OG1-OD2 3.23Å |
| 31 | T | 88.6 | Confident | 84.8 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.5 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | G28 K29 K35 I41 T44 | G28-T31 WeakPolarHBondContact O-CB 3.41Å; G28-T31 PolarHBondContact O-N 2.9Å; K29-T31 VanDerWaalsContact C-N 3.27Å; K29-T31 PolarHBondContact O-N 2.84Å; T31-K35 WeakPolarHBondContact O-CB 3.26Å; T31-K35 PolarHBondContact O-N 3.13Å; T31-I41 HydrophobicContact CG2-CG2 3.91Å; T31-T44 PolarHBondContact OG1-OG1 2.73Å |
| 32 | I | 87.9 | Confident | 84.5 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.8 | -68.3 | 171.2 | 0 | 0 | 0 | 110.2 | M21 G28 K29 Y34 K35 L36 | M21-I32 HydrophobicContact CE-CG2 4.2Å; G28-I32 PolarHBondContact O-N 2.98Å; K29-I32 PolarHBondContact O-N 3Å; I32-Y34 PolarHBondContact O-N 2.86Å; I32-K35 PolarHBondContact O-N 2.9Å; I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 HydrophobicContact CG2-CG 4.45Å; I32-L36 WeakPolarHBondContact O-CG 3.22Å; I32-L36 PolarHBondContact O-N 2.84Å |
| 33 | L | 86.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 178.6 | 177.3 | 56.4 | 0 | 0 | 0 | 112.1 | K29 T30 L36 K37 E53 V55 V64 D66 | K29-L33 PolarHBondContact O-N 3.13Å; T30-L33 WeakPolarHBondContact O-CB 3.39Å; T30-L33 PolarHBondContact O-N 2.98Å; L33-L36 PolarHBondContact O-N 2.86Å; L33-K37 WeakPolarHBondContact O-CB 3.48Å; L33-K37 PolarHBondContact O-N 2.96Å; L33-E53 HydrophobicContact CD1-CB 4.09Å; L33-E53 HydrophobicContact CD2-CB 3.87Å; L33-E53 HydrophobicContact CD2-CG 3.74Å; L33-E53 HydrophobicContact CG-CB 4.25Å; L33-E53 HydrophobicContact CG-CG 4.38Å; L33-V55 HydrophobicContact CD1-CG2 3.67Å; L33-V64 HydrophobicContact CD1-CB 3.62Å; L33-V64 HydrophobicContact CD1-CG1 3.91Å; L33-V64 HydrophobicContact CD1-CG2 3.67Å; L33-V64 HydrophobicContact CD2-CB 4.44Å; L33-V64 HydrophobicContact CD2-CG1 4.25Å; L33-D66 HydrophobicContact CD2-CB 4.12Å |
| 34 | Y | 87.3 | Confident | 84.1 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.4 | -33.2 | 177.6 | -72.1 | -23.4 | 0 | 0 | 0 | 113.4 | T30 I32 L36 K37 L38 V42 T44 | T30-Y34 HydrophobicContact CG2-CD2 4.21Å; T30-Y34 HydrophobicContact CG2-CE2 3.89Å; T30-Y34 PolarHBondContact O-N 3.19Å; I32-Y34 PolarHBondContact O-N 2.86Å; Y34-L36 VanDerWaalsContact C-N 3.26Å; Y34-L36 PolarHBondContact O-N 2.92Å; Y34-K37 PolarHBondContact O-N 2.9Å; Y34-L38 HydrophobicContact CD1-CD1 4.5Å; Y34-L38 HydrophobicContact CG-CD1 4.46Å; Y34-L38 WeakPolarHBondContact O-CB 3.46Å; Y34-L38 PolarHBondContact O-N 3.09Å; Y34-V42 HydrophobicContact CD2-CB 4.11Å; Y34-V42 HydrophobicContact CD2-CG1 4.42Å; Y34-T44 HydrophobicContact CD2-CG2 3.55Å; Y34-T44 HydrophobicContact CE2-CG2 3.8Å |
| 35 | K | 87.9 | Confident | 83.9 | Confident | 118 Ų | 118 | 74 Ų | 74 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 170.7 | -170.3 | 175 | -175.8 | 176.7 | 0 | 112 | T31 I32 G39 E40 I41 | T31-K35 WeakPolarHBondContact O-CB 3.26Å; T31-K35 PolarHBondContact O-N 3.13Å; I32-K35 PolarHBondContact O-N 2.9Å; K35-G39 WeakPolarHBondContact O-CA 3.21Å; K35-G39 PolarHBondContact O-N 3.12Å; K35-G39 VanDerWaalsContact O-N 3.07Å; K35-E40 WeakPolarHBondContact CA-O 3.36Å; K35-I41 HydrophobicContact CD-CG1 4.2Å |
| 36 | L | 83.8 | Confident | 83.6 | Confident | 95 Ų | 95 | 74.1 Ų | 74.1 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -73.1 | -36.3 | 176.2 | -70.3 | 171.9 | 0 | 0 | 0 | 112.7 | I32 L33 Y34 V55 | I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 HydrophobicContact CG2-CG 4.45Å; I32-L36 WeakPolarHBondContact O-CG 3.22Å; I32-L36 PolarHBondContact O-N 2.84Å; L33-L36 PolarHBondContact O-N 2.86Å; Y34-L36 VanDerWaalsContact C-N 3.26Å; Y34-L36 PolarHBondContact O-N 2.92Å; L36-V55 HydrophobicContact CB-CG1 4.33Å |
| 37 | K | 83.4 | Confident | 83.4 | Confident | 90 Ų | 90 | 71 Ų | 71 | 39% | 0.391 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -80.1 | -44.6 | -176.9 | -168.4 | 179 | -178.2 | -172.1 | 0 | 113.5 | L33 Y34 E53 V55 | L33-K37 WeakPolarHBondContact O-CB 3.48Å; L33-K37 PolarHBondContact O-N 2.96Å; Y34-K37 PolarHBondContact O-N 2.9Å; K37-E53 IonicContact NZ-OE2 3.2Å; K37-E53 PolarHBondContact NZ-OE2 3.25Å; K37-V55 HydrophobicContact CB-CG2 3.9Å; K37-V55 HydrophobicContact CG-CG2 4.18Å |
| 38 | L | 84.9 | Confident | 82.9 | Confident | 94 Ų | 94 | 75 Ų | 75 | 49% | 0.492 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -107.5 | -16.1 | -170 | -56.1 | 177.1 | 0 | 0 | 0 | 112.5 | Y34 E40 V42 | Y34-L38 HydrophobicContact CD1-CD1 4.5Å; Y34-L38 HydrophobicContact CG-CD1 4.46Å; Y34-L38 WeakPolarHBondContact O-CB 3.46Å; Y34-L38 PolarHBondContact O-N 3.09Å; L38-E40 HydrophobicContact CB-CG 4.01Å; L38-E40 PolarHBondContact O-N 3.45Å; L38-V42 HydrophobicContact CD1-CG2 3.94Å |
| 39 | G | 82.9 | Confident | 82.6 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 68% | 0.68 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 79.7 | -2.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K35 | K35-G39 WeakPolarHBondContact O-CA 3.21Å; K35-G39 PolarHBondContact O-N 3.12Å; K35-G39 VanDerWaalsContact O-N 3.07Å |
| 40 | E | 80.4 | Confident | 82 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -124.6 | 158 | -177.6 | 64.4 | -176.6 | 172.2 | 0 | 0 | 112.7 | K35 L38 V42 | K35-E40 WeakPolarHBondContact CA-O 3.36Å; L38-E40 HydrophobicContact CB-CG 4.01Å; L38-E40 PolarHBondContact O-N 3.45Å; E40-V42 HydrophobicContact CG-CG2 3.98Å; E40-V42 PolarHBondContact O-N 2.85Å |
| 41 | I | 83.6 | Confident | 81.7 | Confident | 123 Ų | 123 | 81.1 Ų | 81.1 | 63% | 0.631 | 44% | 0.439 | S | S | * | . | trans | -88.3 | 106.9 | 176.8 | -59.5 | 175.4 | 0 | 0 | 0 | 107.8 | T31 K35 | T31-I41 HydrophobicContact CG2-CG2 3.91Å; K35-I41 HydrophobicContact CD-CG1 4.2Å | ||
| 42 | V | 79.4 | Confident | 81.4 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 28% | 0.279 | 44% | 0.443 | S | S | . | . | trans | -94.8 | 137.2 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | Y34 L38 E40 T44 | Y34-V42 HydrophobicContact CD2-CB 4.11Å; Y34-V42 HydrophobicContact CD2-CG1 4.42Å; L38-V42 HydrophobicContact CD1-CG2 3.94Å; E40-V42 HydrophobicContact CG-CG2 3.98Å; E40-V42 PolarHBondContact O-N 2.85Å; V42-T44 PolarHBondContact O-N 3.05Å | ||
| 43 | T | 80.8 | Confident | 81.2 | Confident | 142 Ų | 142 | 78.8 Ų | 78.8 | 87% | 0.871 | 43% | 0.427 | S | S | * | . | trans | -66.4 | 118.3 | 169.4 | -53.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 44 | T | 78.6 | Confident | 81.1 | Confident | 41 Ų | 41 | 81.9 Ų | 81.9 | 25% | 0.252 | 45% | 0.446 | S | S | . | . | trans | -107 | 151.8 | -178.3 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | T30 T31 Y34 V42 | T30-T44 HydrophobicContact CG2-CG2 3.74Å; T31-T44 PolarHBondContact OG1-OG1 2.73Å; Y34-T44 HydrophobicContact CD2-CG2 3.55Å; Y34-T44 HydrophobicContact CE2-CG2 3.8Å; V42-T44 PolarHBondContact O-N 3.05Å | ||
| 45 | I | 77.3 | Confident | 80.9 | Confident | 149 Ų | 149 | 79.3 Ų | 79.3 | 76% | 0.764 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -96.7 | 143 | 168.8 | -61 | 174.1 | 0 | 0 | 0 | 106.7 | T47 | I45-T47 PolarHBondContact O-N 2.89Š|
| 46 | P | 74.3 | Confident | 80.8 | Confident | 70 Ų | 70 | 79.5 Ų | 79.5 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 128.5 | 177 | -28.9 | 35.5 | 0 | 0 | 0 | 112.5 | I48 | P46-I48 PolarHBondContact O-N 2.89Š|
| 47 | T | 76.1 | Confident | 80.5 | Confident | 23 Ų | 23 | 81.1 Ų | 81.1 | 14% | 0.141 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -65 | 117.8 | -178.4 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | T30 I45 N51 D66 | T30-T47 PolarHBondContact OG1-OG1 2.92Å; I45-T47 PolarHBondContact O-N 2.89Å; T47-N51 HydrophobicContact CG2-CB 4.11Å; T47-D66 PolarHBondContact OG1-OD2 2.89Å; T47-D66 VanDerWaalsContact OG1-OD2 3.05Å |
| 48 | I | 75 | Confident | 80.3 | Confident | 148 Ų | 148 | 85.2 Ų | 85.2 | 76% | 0.759 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -85.2 | 112.1 | 170.2 | -57.3 | 174.8 | 0 | 0 | 0 | 107.4 | P46 | P46-I48 PolarHBondContact O-N 2.89Š|
| 49 | G | 79.9 | Confident | 80 | Confident | 21 Ų | 21 | 85 Ų | 85 | 22% | 0.216 | 46% | 0.457 | C | S | . | . | S | Bend | trans | 87.8 | -112.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G68 | G49-G68 WeakPolarHBondContact O-CA 3.5Å; G49-G68 PolarHBondContact O-N 2.94Å |
| 50 | F | 77.4 | Confident | 79.8 | Confident | 123 Ų | 123 | 84.3 Ų | 84.3 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.5 | -175.6 | 66 | -87.7 | 0 | 0 | 0 | 110.6 | V52 | F50-V52 HydrophobicContact CD2-CG2 4.2Å |
| 51 | N | 80 | Confident | 79.8 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.4 | 169.1 | -170.2 | 30 | 0 | 0 | 0 | 109.9 | T47 E53 W65 D66 | T47-N51 HydrophobicContact CG2-CB 4.11Å; N51-E53 VanDerWaalsContact ND2-CG 3.28Å; N51-E53 WeakPolarHBondContact ND2-CG 3.29Å; N51-E53 PolarHBondContact ND2-OE1 3.37Å; N51-W65 CarbonylContact O-C 3.59Å; N51-D66 HydrophobicContact CB-CB 4.31Å; N51-D66 PolarHBondContact N-O 2.97Å; N51-D66 PolarHBondContact O-N 2.68Å |
| 52 | V | 82.2 | Confident | 79.7 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 33% | 0.327 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 117 | 178.5 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | F50 T63 V64 W65 | F50-V52 HydrophobicContact CD2-CG2 4.2Å; V52-T63 HydrophobicContact CG1-CG2 3.39Å; V52-V64 WeakPolarHBondContact CA-O 3.4Å; V52-W65 HydrophobicContact CG1-CD2 4.34Å; V52-W65 HydrophobicContact CG1-CZ2 4.34Å; V52-W65 HydrophobicContact CG2-CD2 3.79Å; V52-W65 HydrophobicContact CG2-CE3 3.39Å; V52-W65 HydrophobicContact CG2-CH2 3.94Å; V52-W65 HydrophobicContact CG2-CZ2 4.3Å; V52-W65 HydrophobicContact CG2-CZ3 3.46Å; V52-W65 VanDerWaalsContact CG2-CZ3 3.46Å |
| 53 | E | 83.8 | Confident | 79.8 | Confident | 32 Ų | 32 | 74.2 Ų | 74.2 | 15% | 0.15 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 134.5 | -177.1 | -65.5 | -67.8 | 178.7 | 0 | 0 | 110.1 | L33 K37 N51 T63 V64 | L33-E53 HydrophobicContact CD1-CB 4.09Å; L33-E53 HydrophobicContact CD2-CB 3.87Å; L33-E53 HydrophobicContact CD2-CG 3.74Å; L33-E53 HydrophobicContact CG-CB 4.25Å; L33-E53 HydrophobicContact CG-CG 4.38Å; K37-E53 IonicContact NZ-OE2 3.2Å; K37-E53 PolarHBondContact NZ-OE2 3.25Å; N51-E53 VanDerWaalsContact ND2-CG 3.28Å; N51-E53 WeakPolarHBondContact ND2-CG 3.29Å; N51-E53 PolarHBondContact ND2-OE1 3.37Å; E53-T63 CarbonylContact O-C 3.59Å; E53-T63 WeakPolarHBondContact O-CA 3.13Å; E53-V64 PolarHBondContact N-O 3.3Å; E53-V64 PolarHBondContact O-N 3Å |
| 54 | T | 84.1 | Confident | 79.8 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.7 | 171.1 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | S61 T63 | T54-S61 WeakPolarHBondContact CG2-OG 3.02Å; T54-T63 PolarHBondContact OG1-OG1 3.43Å |
| 55 | V | 84.3 | Confident | 80 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.2 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | L33 L36 K37 F62 V64 | L33-V55 HydrophobicContact CD1-CG2 3.67Å; L36-V55 HydrophobicContact CB-CG1 4.33Å; K37-V55 HydrophobicContact CB-CG2 3.9Å; K37-V55 HydrophobicContact CG-CG2 4.18Å; V55-F62 HydrophobicContact CB-CD2 4.06Å; V55-F62 HydrophobicContact CB-CE1 4.44Å; V55-F62 HydrophobicContact CB-CE2 3.56Å; V55-F62 HydrophobicContact CB-CZ 3.76Å; V55-F62 HydrophobicContact CG1-CE1 4.31Å; V55-F62 HydrophobicContact CG1-CE2 3.93Å; V55-F62 HydrophobicContact CG1-CZ 3.63Å; V55-F62 HydrophobicContact CG2-CE2 4.12Å; V55-F62 PolarHBondContact N-O 3.39Å; V55-F62 PolarHBondContact O-N 3.28Å; V55-V64 HydrophobicContact CG2-CG2 4.49Å |
| 56 | E | 83.8 | Confident | 80.1 | Confident | 122 Ų | 122 | 60.7 Ų | 60.7 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.8 | 173.8 | -58.9 | -158.9 | 158.4 | 0 | 0 | 109.5 | K14 | K14-E56 IonicContact NZ-OE1 2.62Å; K14-E56 PolarHBondContact NZ-OE1 2.83Å; K14-E56 IonicContact NZ-OE2 3.4Å; K14-E56 PolarHBondContact NZ-OE2 2.84Å |
| 57 | Y | 77.6 | Confident | 80.4 | Confident | 128 Ų | 128 | 57.4 Ų | 57.4 | 50% | 0.502 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 113.3 | 174.1 | -172.7 | -103.9 | 0 | 0 | 0 | 110.3 | N59 I60 | Y57-N59 PolarHBondContact O-N 2.91Å; Y57-I60 PolarHBondContact N-O 3.4Å; Y57-I60 PolarHBondContact O-N 3.09Å |
| 58 | K | 80.8 | Confident | 80.7 | Confident | 177 Ų | 177 | 56.4 Ų | 56.4 | 77% | 0.77 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -115.4 | -176.7 | -58.8 | 175.1 | 177.3 | 170.9 | 0 | 111.1 | ||
| 59 | N | 78.7 | Confident | 81 | Confident | 89 Ų | 89 | 49.3 Ų | 49.3 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 9.7 | 176.6 | 93.8 | -27.7 | 0 | 0 | 0 | 113.3 | K14 K15 Y57 | K14-N59 CarbonylContact C-O 3.54Å; K14-N59 VanDerWaalsContact CA-O 3.31Å; K14-N59 WeakPolarHBondContact CA-O 3.31Å; K15-N59 PolarHBondContact N-O 3.32Å; Y57-N59 PolarHBondContact O-N 2.91Å |
| 60 | I | 77 | Confident | 81 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.3 | -176.5 | -51.8 | 179.5 | 0 | 0 | 0 | 107.7 | K15 M17 Y57 F62 | K15-I60 HydrophobicContact CB-CG1 4.46Å; K15-I60 WeakPolarHBondContact O-CA 3.39Å; K15-I60 WeakPolarHBondContact O-CG2 3.02Å; M17-I60 HydrophobicContact CB-CG2 4.41Å; M17-I60 HydrophobicContact CG-CG2 4.09Å; M17-I60 HydrophobicContact SD-CG2 3.91Å; Y57-I60 PolarHBondContact N-O 3.4Å; Y57-I60 PolarHBondContact O-N 3.09Å; I60-F62 HydrophobicContact CG2-CD1 4.12Å |
| 61 | S | 80.6 | Confident | 81.2 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 116.7 | 165.8 | -179 | 0 | 0 | 0 | 0 | 106.3 | K15 E16 M17 T54 | K15-S61 PolarHBondContact O-N 3.04Å; E16-S61 CarbonylContact C-O 3.51Å; E16-S61 WeakPolarHBondContact CA-O 3.46Å; M17-S61 PolarHBondContact N-O 2.89Å; T54-S61 WeakPolarHBondContact CG2-OG 3.02Å |
| 62 | F | 81.8 | Confident | 81.3 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.9 | 175 | 57.2 | -93.2 | 0 | 0 | 0 | 112.4 | M17 I19 V55 I60 V64 | M17-F62 HydrophobicContact CB-CB 4.18Å; M17-F62 CarbonylContact O-C 3.52Å; M17-F62 WeakPolarHBondContact O-CA 3.25Å; I19-F62 HydrophobicContact CD1-CB 3.78Å; I19-F62 HydrophobicContact CD1-CD1 4.48Å; I19-F62 HydrophobicContact CD1-CD2 3.83Å; I19-F62 HydrophobicContact CD1-CG 3.8Å; I19-F62 HydrophobicContact CG1-CB 4.1Å; V55-F62 HydrophobicContact CB-CD2 4.06Å; V55-F62 HydrophobicContact CB-CE1 4.44Å; V55-F62 HydrophobicContact CB-CE2 3.56Å; V55-F62 HydrophobicContact CB-CZ 3.76Å; V55-F62 HydrophobicContact CG1-CE1 4.31Å; V55-F62 HydrophobicContact CG1-CE2 3.93Å; V55-F62 HydrophobicContact CG1-CZ 3.63Å; V55-F62 HydrophobicContact CG2-CE2 4.12Å; V55-F62 PolarHBondContact N-O 3.39Å; V55-F62 PolarHBondContact O-N 3.28Å; I60-F62 HydrophobicContact CG2-CD1 4.12Å; F62-V64 HydrophobicContact CD2-CG2 3.52Å; F62-V64 HydrophobicContact CE2-CG2 3.74Å |
| 63 | T | 82.1 | Confident | 81.2 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 112 | 172.4 | -55 | 0 | 0 | 0 | 0 | 108.6 | M17 I19 V52 E53 T54 | M17-T63 PolarHBondContact O-N 3.29Å; I19-T63 PolarHBondContact N-O 2.87Å; V52-T63 HydrophobicContact CG1-CG2 3.39Å; E53-T63 CarbonylContact O-C 3.59Å; E53-T63 WeakPolarHBondContact O-CA 3.13Å; T54-T63 PolarHBondContact OG1-OG1 3.43Å |
| 64 | V | 81.4 | Confident | 81.1 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.9 | 175 | -173.3 | 0 | 0 | 0 | 0 | 110 | I19 M21 L33 V52 E53 V55 F62 | I19-V64 VanDerWaalsContact O-CA 3.26Å; I19-V64 WeakPolarHBondContact O-CA 3.14Å; M21-V64 HydrophobicContact CB-CG1 3.82Å; M21-V64 HydrophobicContact CE-CG1 4.25Å; L33-V64 HydrophobicContact CD1-CB 3.62Å; L33-V64 HydrophobicContact CD1-CG1 3.91Å; L33-V64 HydrophobicContact CD1-CG2 3.67Å; L33-V64 HydrophobicContact CD2-CB 4.44Å; L33-V64 HydrophobicContact CD2-CG1 4.25Å; V52-V64 WeakPolarHBondContact CA-O 3.4Å; E53-V64 PolarHBondContact N-O 3.3Å; E53-V64 PolarHBondContact O-N 3Å; V55-V64 HydrophobicContact CG2-CG2 4.49Å; F62-V64 HydrophobicContact CD2-CG2 3.52Å; F62-V64 HydrophobicContact CE2-CG2 3.74Å |
| 65 | W | 82 | Confident | 81.2 | Confident | 43 Ų | 43 | 60 Ų | 60 | 16% | 0.163 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 106.6 | 169 | -65.4 | 73.9 | 0 | 0 | 0 | 108.1 | I19 L20 M21 N51 V52 Y80 | I19-W65 PolarHBondContact O-N 3.2Å; L20-W65 HydrophobicContact CD1-CB 3.37Å; L20-W65 HydrophobicContact CD1-CG 4.28Å; M21-W65 PolarHBondContact N-O 3.32Å; N51-W65 CarbonylContact O-C 3.59Å; V52-W65 HydrophobicContact CG1-CD2 4.34Å; V52-W65 HydrophobicContact CG1-CZ2 4.34Å; V52-W65 HydrophobicContact CG2-CD2 3.79Å; V52-W65 HydrophobicContact CG2-CE3 3.39Å; V52-W65 HydrophobicContact CG2-CH2 3.94Å; V52-W65 HydrophobicContact CG2-CZ2 4.3Å; V52-W65 HydrophobicContact CG2-CZ3 3.46Å; V52-W65 VanDerWaalsContact CG2-CZ3 3.46Å; W65-Y80 HydrophobicContact CD2-CD1 4.23Å; W65-Y80 AromaticContact CE3-CD1 3.43Å; W65-Y80 HydrophobicContact CE3-CD1 3.43Å; W65-Y80 VanDerWaalsContact CE3-CD1 3.43Å; W65-Y80 AromaticContact CE3-CE1 3.68Å; W65-Y80 HydrophobicContact CE3-CE1 3.68Å; W65-Y80 HydrophobicContact CE3-CG 4.37Å; W65-Y80 HydrophobicContact CH2-CD1 4.39Å; W65-Y80 HydrophobicContact CH2-CE1 4.45Å; W65-Y80 AromaticContact CZ3-CD1 3.55Å; W65-Y80 HydrophobicContact CZ3-CD1 3.55Å; W65-Y80 AromaticContact CZ3-CE1 3.46Å; W65-Y80 HydrophobicContact CZ3-CE1 3.46Å; W65-Y80 VanDerWaalsContact CZ3-CE1 3.46Å |
| 66 | D | 79.3 | Confident | 81 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 110.3 | 174.3 | 176 | 28.4 | 0 | 0 | 0 | 108.7 | K29 T30 L33 T47 N51 | K29-D66 WeakPolarHBondContact CB-OD1 3.33Å; K29-D66 WeakPolarHBondContact CE-OD1 3.37Å; T30-D66 PolarHBondContact OG1-OD2 3.23Å; L33-D66 HydrophobicContact CD2-CB 4.12Å; T47-D66 PolarHBondContact OG1-OD2 2.89Å; T47-D66 VanDerWaalsContact OG1-OD2 3.05Å; N51-D66 HydrophobicContact CB-CB 4.31Å; N51-D66 PolarHBondContact N-O 2.97Å; N51-D66 PolarHBondContact O-N 2.68Å |
| 67 | V | 80.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.3 | -177.4 | -164.1 | 0 | 0 | 0 | 0 | 110.8 | L20 M21 K29 G69 I73 W77 | L20-V67 HydrophobicContact CD1-CG2 3.82Å; M21-V67 PolarHBondContact O-N 3.36Å; K29-V67 WeakPolarHBondContact CE-O 3.38Å; K29-V67 PolarHBondContact NZ-O 3.28Å; V67-G69 PolarHBondContact O-N 3.49Å; V67-I73 HydrophobicContact CG1-CG2 3.86Å; V67-W77 HydrophobicContact CG1-CG 4.47Å; V67-W77 VanDerWaalsContact CG1-NE1 3.31Å |
| 68 | G | 82.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | trans | -52.7 | 133.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G49 Q70 W77 | G49-G68 WeakPolarHBondContact O-CA 3.5Å; G49-G68 PolarHBondContact O-N 2.94Å; G68-Q70 VanDerWaalsContact C-N 3.31Å; G68-W77 PolarHBondContact O-NE1 3.06Å | ||
| 69 | G | 80.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -84.9 | -2.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V67 R74 | V67-G69 PolarHBondContact O-N 3.49Å; G69-R74 PolarHBondContact O-NE 3.05Å; G69-R74 PolarHBondContact O-NH2 3.22Å | ||
| 70 | Q | 80.6 | Confident | 81 | Confident | 72 Ų | 72 | 57 Ų | 57 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -64.3 | 141.8 | -178.5 | -59 | 178.9 | 18.5 | 0 | 0 | 111.1 | G68 K72 I73 R74 | G68-Q70 VanDerWaalsContact C-N 3.31Å; Q70-K72 PolarHBondContact O-N 3.1Å; Q70-K72 VanDerWaalsContact O-N 3.1Å; Q70-I73 HydrophobicContact CB-CD1 4.34Å; Q70-I73 PolarHBondContact O-N 2.89Å; Q70-R74 PolarHBondContact O-N 2.81Å |
| 71 | D | 81.4 | Confident | 81.1 | Confident | 114 Ų | 114 | 60.1 Ų | 60.1 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -34.4 | -173.3 | -67.5 | -29.2 | 0 | 0 | 0 | 113.5 | I73 R74 P75 | D71-I73 PolarHBondContact O-N 3.26Å; D71-R74 IonicContact OD1-CZ 2.89Å; D71-R74 IonicContact OD1-NE 2.97Å; D71-R74 PolarHBondContact OD1-NE 2.62Å; D71-R74 IonicContact OD1-NH1 2.68Å; D71-R74 PolarHBondContact OD1-NH1 3.2Å; D71-R74 VanDerWaalsContact OD1-NH1 3.09Å; D71-R74 IonicContact OD1-NH2 3.09Å; D71-R74 PolarHBondContact OD1-NH2 3.05Å; D71-P75 WeakPolarHBondContact O-CD 3.33Å |
| 72 | K | 82.3 | Confident | 80.9 | Confident | 193 Ų | 193 | 66.5 Ų | 66.5 | 84% | 0.839 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.2 | 177.4 | -67.8 | -176.7 | 179 | 179.1 | 0 | 113.6 | Q70 | Q70-K72 PolarHBondContact O-N 3.1Å; Q70-K72 VanDerWaalsContact O-N 3.1Å |
| 73 | I | 80.1 | Confident | 80.6 | Confident | 21 Ų | 21 | 71.1 Ų | 71.1 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -21.5 | -173.8 | -64 | 166 | 0 | 0 | 0 | 111.4 | V67 Q70 D71 P75 L76 | V67-I73 HydrophobicContact CG1-CG2 3.86Å; Q70-I73 HydrophobicContact CB-CD1 4.34Å; Q70-I73 PolarHBondContact O-N 2.89Å; D71-I73 PolarHBondContact O-N 3.26Å; I73-P75 VanDerWaalsContact C-CD 3.4Å; I73-P75 VanDerWaalsContact C-N 3.33Å; I73-L76 HydrophobicContact CG2-CD1 4.38Å; I73-L76 VanDerWaalsContact O-CB 3.29Å; I73-L76 WeakPolarHBondContact O-CB 3.47Å; I73-L76 PolarHBondContact O-N 2.64Å |
| 74 | R | 81.2 | Confident | 80.5 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -51.7 | -39.5 | 178.3 | -66.6 | -175.9 | -174.7 | 169.4 | 9.6 | 114.9 | L24 G69 Q70 D71 L76 W77 | L24-R74 VanDerWaalsContact CD2-NH2 3.33Å; G69-R74 PolarHBondContact O-NE 3.05Å; G69-R74 PolarHBondContact O-NH2 3.22Å; Q70-R74 PolarHBondContact O-N 2.81Å; D71-R74 IonicContact OD1-CZ 2.89Å; D71-R74 IonicContact OD1-NE 2.97Å; D71-R74 PolarHBondContact OD1-NE 2.62Å; D71-R74 IonicContact OD1-NH1 2.68Å; D71-R74 PolarHBondContact OD1-NH1 3.2Å; D71-R74 VanDerWaalsContact OD1-NH1 3.09Å; D71-R74 IonicContact OD1-NH2 3.09Å; D71-R74 PolarHBondContact OD1-NH2 3.05Å; R74-L76 PolarHBondContact O-N 3.22Å; R74-L76 VanDerWaalsContact O-N 3.09Å; R74-W77 HydrophobicContact CG-CH2 4.23Å; R74-W77 HydrophobicContact CG-CZ2 3.83Å; R74-W77 WeakPolarHBondContact O-CB 3.36Å; R74-W77 VanDerWaalsContact O-CG 3.25Å; R74-W77 PolarHBondContact O-N 3.31Å; R74-W77 VanDerWaalsContact O-N 3.12Å |
| 75 | P | 85.6 | Confident | 80.4 | Confident | 70 Ų | 70 | 76.7 Ų | 76.7 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -62 | -17.6 | 176.5 | -24.7 | 35.7 | 0 | 0 | 0 | 114.4 | D71 I73 R78 | D71-P75 WeakPolarHBondContact O-CD 3.33Å; I73-P75 VanDerWaalsContact C-CD 3.4Å; I73-P75 VanDerWaalsContact C-N 3.33Å; P75-R78 WeakPolarHBondContact O-CG 3.34Å; P75-R78 PolarHBondContact O-NE 3.2Å |
| 76 | L | 80.9 | Confident | 79.6 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -81 | -18.7 | 178.6 | -60.7 | 175.5 | 0 | 0 | 0 | 112.9 | I73 R74 R78 H79 Y80 | I73-L76 HydrophobicContact CG2-CD1 4.38Å; I73-L76 VanDerWaalsContact O-CB 3.29Å; I73-L76 WeakPolarHBondContact O-CB 3.47Å; I73-L76 PolarHBondContact O-N 2.64Å; R74-L76 PolarHBondContact O-N 3.22Å; R74-L76 VanDerWaalsContact O-N 3.09Å; L76-R78 PolarHBondContact O-N 3.01Å; L76-R78 VanDerWaalsContact O-N 3.13Å; L76-H79 WeakPolarHBondContact O-CB 3.28Å; L76-H79 PolarHBondContact O-N 3.5Å; L76-Y80 HydrophobicContact CB-CE2 4.28Å; L76-Y80 VanDerWaalsContact O-CD2 3.22Å; L76-Y80 WeakPolarHBondContact O-CD2 3.22Å; L76-Y80 WeakPolarHBondContact O-CE2 3.45Å |
| 77 | W | 82.4 | Confident | 79.6 | Confident | 46 Ų | 46 | 82.3 Ų | 82.3 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -54.4 | -38.4 | -176.1 | -66.8 | 7.9 | 0 | 0 | 0 | 112.6 | V22 V67 G68 R74 H79 Y80 F81 | V22-W77 HydrophobicContact CB-CD2 4.39Å; V22-W77 HydrophobicContact CB-CE3 4.04Å; V22-W77 HydrophobicContact CB-CH2 4.28Å; V22-W77 HydrophobicContact CB-CZ3 3.99Å; V22-W77 HydrophobicContact CG1-CD2 4.01Å; V22-W77 HydrophobicContact CG1-CE3 3.99Å; V22-W77 HydrophobicContact CG1-CG 4.36Å; V22-W77 HydrophobicContact CG1-CZ3 4.45Å; V67-W77 HydrophobicContact CG1-CG 4.47Å; V67-W77 VanDerWaalsContact CG1-NE1 3.31Å; G68-W77 PolarHBondContact O-NE1 3.06Å; R74-W77 HydrophobicContact CG-CH2 4.23Å; R74-W77 HydrophobicContact CG-CZ2 3.83Å; R74-W77 WeakPolarHBondContact O-CB 3.36Å; R74-W77 VanDerWaalsContact O-CG 3.25Å; R74-W77 PolarHBondContact O-N 3.31Å; R74-W77 VanDerWaalsContact O-N 3.12Å; W77-H79 PolarHBondContact O-N 2.97Å; W77-H79 VanDerWaalsContact O-N 3.13Å; W77-Y80 PolarHBondContact O-N 2.92Å; W77-F81 HydrophobicContact CB-CZ 4.27Å |
| 78 | R | 80.1 | Confident | 79.6 | Confident | 165 Ų | 165 | 86.5 Ų | 86.5 | 62% | 0.623 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -58.4 | -25.6 | 179.3 | 65.8 | -171.6 | 160.7 | 173.7 | -1.8 | 114.5 | P75 L76 Y80 F81 | P75-R78 WeakPolarHBondContact O-CG 3.34Å; P75-R78 PolarHBondContact O-NE 3.2Å; L76-R78 PolarHBondContact O-N 3.01Å; L76-R78 VanDerWaalsContact O-N 3.13Å; R78-Y80 PolarHBondContact O-N 3Å; R78-F81 HydrophobicContact CB-CD2 4.49Å; R78-F81 HydrophobicContact CB-CE2 4.39Å |
| 79 | H | 81.6 | Confident | 79.4 | Confident | 115 Ų | 115 | 91.3 Ų | 91.3 | 53% | 0.532 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -76.3 | -14.5 | 178.8 | -62.2 | -66.3 | 0 | 0 | 0 | 112.7 | L76 W77 | L76-H79 WeakPolarHBondContact O-CB 3.28Å; L76-H79 PolarHBondContact O-N 3.5Å; W77-H79 PolarHBondContact O-N 2.97Å; W77-H79 VanDerWaalsContact O-N 3.13Å |
| 80 | Y | 76.4 | Confident | 79.3 | Confident | 49 Ų | 49 | 96.6 Ų | 96.6 | 19% | 0.192 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -105.2 | -0.9 | -175.7 | -57.3 | -77.2 | 0 | 0 | 0 | 113.7 | W65 L76 W77 R78 Q82 T84 | W65-Y80 HydrophobicContact CD2-CD1 4.23Å; W65-Y80 AromaticContact CE3-CD1 3.43Å; W65-Y80 HydrophobicContact CE3-CD1 3.43Å; W65-Y80 VanDerWaalsContact CE3-CD1 3.43Å; W65-Y80 AromaticContact CE3-CE1 3.68Å; W65-Y80 HydrophobicContact CE3-CE1 3.68Å; W65-Y80 HydrophobicContact CE3-CG 4.37Å; W65-Y80 HydrophobicContact CH2-CD1 4.39Å; W65-Y80 HydrophobicContact CH2-CE1 4.45Å; W65-Y80 AromaticContact CZ3-CD1 3.55Å; W65-Y80 HydrophobicContact CZ3-CD1 3.55Å; W65-Y80 AromaticContact CZ3-CE1 3.46Å; W65-Y80 HydrophobicContact CZ3-CE1 3.46Å; W65-Y80 VanDerWaalsContact CZ3-CE1 3.46Å; L76-Y80 HydrophobicContact CB-CE2 4.28Å; L76-Y80 VanDerWaalsContact O-CD2 3.22Å; L76-Y80 WeakPolarHBondContact O-CD2 3.22Å; L76-Y80 WeakPolarHBondContact O-CE2 3.45Å; W77-Y80 PolarHBondContact O-N 2.92Å; R78-Y80 PolarHBondContact O-N 3Å; Y80-Q82 VanDerWaalsContact C-N 3.29Å; Y80-T84 PolarHBondContact O-OG1 2.78Å |
| 81 | F | 78.8 | Confident | 79.3 | Confident | 117 Ų | 117 | 98.2 Ų | 98.2 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | trans | -72.7 | -24.6 | 174.9 | -61 | -26.6 | 0 | 0 | 0 | 112.7 | L20 W77 R78 N83 T84 | L20-F81 HydrophobicContact CD2-CD1 3.29Å; L20-F81 HydrophobicContact CD2-CE1 3.42Å; L20-F81 VanDerWaalsContact CD2-CE1 3.42Å; W77-F81 HydrophobicContact CB-CZ 4.27Å; R78-F81 HydrophobicContact CB-CD2 4.49Å; R78-F81 HydrophobicContact CB-CE2 4.39Å; F81-N83 PolarHBondContact O-N 3.37Å; F81-T84 PolarHBondContact O-N 3.46Å | ||
| 82 | Q | 77.1 | Confident | 79.1 | Confident | 147 Ų | 147 | 97.1 Ų | 97.1 | 69% | 0.687 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 130.4 | 180 | -66.6 | -175.1 | -13 | 0 | 0 | 110.7 | Y80 T84 | Y80-Q82 VanDerWaalsContact C-N 3.29Å; Q82-T84 PolarHBondContact O-N 3.21Å |
| 83 | N | 76.1 | Confident | 78.9 | Confident | 124 Ų | 124 | 90.3 Ų | 90.3 | 66% | 0.663 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 17.3 | -179.9 | -50 | -48.8 | 0 | 0 | 0 | 115.3 | F81 Q85 | F81-N83 PolarHBondContact O-N 3.37Å; N83-Q85 PolarHBondContact O-NE2 3.39Å; N83-Q85 PolarHBondContact O-OE1 3.07Å |
| 84 | T | 78.8 | Confident | 78.8 | Confident | 38 Ų | 38 | 95.6 Ų | 95.6 | 23% | 0.233 | 48% | 0.479 | C | S | . | . | trans | -88.3 | 128.5 | 172.3 | -65.7 | 0 | 0 | 0 | 0 | 109.6 | L20 Y80 F81 Q82 G86 | L20-T84 HydrophobicContact CB-CG2 3.65Å; Y80-T84 PolarHBondContact O-OG1 2.78Å; F81-T84 PolarHBondContact O-N 3.46Å; Q82-T84 PolarHBondContact O-N 3.21Å; T84-G86 WeakPolarHBondContact CG2-O 3.2Å | ||
| 85 | Q | 79.6 | Confident | 78.6 | Confident | 118 Ų | 118 | 95.9 Ų | 95.9 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | trans | -93.7 | -12.6 | -179 | -68 | 81.5 | 12.2 | 0 | 0 | 113.2 | M17 R18 N83 | M17-Q85 HydrophobicContact CE-CB 4.2Å; R18-Q85 VanDerWaalsContact CB-OE1 3.27Å; R18-Q85 PolarHBondContact O-N 3.26Å; R18-Q85 PolarHBondContact O-OE1 3.34Å; N83-Q85 PolarHBondContact O-NE2 3.39Å; N83-Q85 PolarHBondContact O-OE1 3.07Å | ||
| 86 | G | 65.9 | Low | 78 | Confident | 80 Ų | 80 | 98.3 Ų | 98.3 | 83% | 0.825 | 49% | 0.493 | S | S | * | . | trans | -166 | 0 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I19 L20 T84 | I19-G86 CarbonylContact C-O 3.55Å; I19-G86 VanDerWaalsContact CA-O 3.25Å; I19-G86 WeakPolarHBondContact CA-O 3.35Å; L20-G86 PolarHBondContact N-O 3.27Å; T84-G86 WeakPolarHBondContact CG2-O 3.2Å |
Retrieved 86 of 86 residues in 110.8 ms
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