| 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 | C | 45.8 | Very low | 46.9 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 100% | 1.257 | 76% | 0.755 | S | S | * | * | 0 | 108.7 | 0 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 2 | K | 42.1 | Very low | 47.3 | Very low | 211 Ų | 211 | 129.8 Ų | 129.8 | 92% | 0.917 | 71% | 0.714 | S | S | * | * | trans | -127.4 | 127.7 | 171.8 | -83.2 | 176.9 | 177.9 | 175.6 | 0 | 108.2 | ||||
| 3 | L | 48.6 | Very low | 47.8 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 90% | 0.895 | 69% | 0.692 | S | S | * | * | trans | -63.1 | 136 | -165.7 | -67.6 | 145.1 | 0 | 0 | 0 | 112.3 | N5 | L3-N5 PolarHBondContact O-N 3.48Š| ||
| 4 | P | 55.4 | Low | 48.1 | Very low | 123 Ų | 123 | 124.1 Ų | 124.1 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | trans | -83.3 | 108.8 | 170.3 | 32.1 | -28.7 | 0 | 0 | 0 | 109.2 | S6 | P4-S6 PolarHBondContact O-N 3.15Š| ||
| 5 | N | 42.1 | Very low | 48.8 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | trans | -95.7 | 70.5 | 173.4 | -169.8 | 48.6 | 0 | 0 | 0 | 110 | L3 K7 | L3-N5 PolarHBondContact O-N 3.48Å; N5-K7 PolarHBondContact O-N 3.41Å | ||
| 6 | S | 46.7 | Very low | 50 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | -81.2 | 91.1 | 159 | -93.3 | 0 | 0 | 0 | 0 | 107.7 | P4 Q8 | P4-S6 PolarHBondContact O-N 3.15Å; S6-Q8 PolarHBondContact O-N 3.3Å | ||
| 7 | K | 45.7 | Very low | 51.9 | Low | 182 Ų | 182 | 115.5 Ų | 115.5 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | trans | -70 | 75.2 | 158 | -76.4 | -174.4 | 171.8 | 177.6 | 0 | 108 | N5 | N5-K7 PolarHBondContact O-N 3.41Š| ||
| 8 | Q | 43.5 | Very low | 53.9 | Low | 138 Ų | 138 | 113.1 Ų | 113.1 | 65% | 0.645 | 61% | 0.608 | S | S | * | * | trans | -111.3 | 92.2 | 168.3 | -151.3 | 161.7 | 12.8 | 0 | 0 | 105.9 | S6 E12 | S6-Q8 PolarHBondContact O-N 3.3Å; Q8-E12 HydrophobicContact CG-CB 3.87Å; Q8-E12 HydrophobicContact CG-CG 4.07Å | ||
| 9 | S | 44.7 | Very low | 55.7 | Low | 47 Ų | 47 | 107.3 Ų | 107.3 | 33% | 0.329 | 58% | 0.576 | S | S | . | * | trans | -55.5 | 140 | 165.9 | 37.3 | 0 | 0 | 0 | 0 | 108.1 | D11 E12 R15 | S9-D11 PolarHBondContact O-N 3.45Å; S9-E12 WeakPolarHBondContact O-CB 3.22Å; S9-E12 WeakPolarHBondContact O-CG 3.47Å; S9-E12 PolarHBondContact O-N 2.87Å; S9-E12 WeakPolarHBondContact OG-CG 3.4Å; S9-E12 PolarHBondContact OG-OE1 3.17Å; S9-R15 PolarHBondContact OG-NH1 2.97Å | ||
| 10 | P | 52.7 | Low | 57.4 | Low | 123 Ų | 123 | 104.9 Ų | 104.9 | 80% | 0.799 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -6.5 | -176.5 | 22.1 | -31.7 | 0 | 0 | 0 | 114.4 | ||
| 11 | D | 48.8 | Very low | 59 | Low | 87 Ų | 87 | 99.9 Ų | 99.9 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -6 | 176 | -32 | -89.6 | 0 | 0 | 0 | 114.2 | S9 P13 R15 | S9-D11 PolarHBondContact O-N 3.45Å; D11-P13 VanDerWaalsContact C-CD 3.45Å; D11-R15 IonicContact OD2-NH2 3.99Å |
| 12 | E | 51.7 | Low | 61.1 | Low | 56 Ų | 56 | 91.3 Ų | 91.3 | 26% | 0.262 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | -176.8 | -76.7 | -60.4 | 108.7 | 0 | 0 | 115.7 | Q8 S9 L14 R15 S16 | Q8-E12 HydrophobicContact CG-CB 3.87Å; Q8-E12 HydrophobicContact CG-CG 4.07Å; S9-E12 WeakPolarHBondContact O-CB 3.22Å; S9-E12 WeakPolarHBondContact O-CG 3.47Å; S9-E12 PolarHBondContact O-N 2.87Å; S9-E12 WeakPolarHBondContact OG-CG 3.4Å; S9-E12 PolarHBondContact OG-OE1 3.17Å; E12-L14 PolarHBondContact O-N 2.89Å; E12-L14 VanDerWaalsContact O-N 3.14Å; E12-R15 PolarHBondContact O-N 3.44Å; E12-R15 WeakPolarHBondContact OE1-CD 3.48Å; E12-R15 IonicContact OE1-CZ 2.89Å; E12-R15 IonicContact OE1-NE 3.7Å; E12-R15 IonicContact OE1-NH1 3.91Å; E12-R15 PolarHBondContact OE1-NH1 3.37Å; E12-S16 PolarHBondContact O-N 2.96Å; E12-S16 PolarHBondContact O-OG 3.43Å |
| 13 | P | 53.2 | Low | 63.3 | Low | 66 Ų | 66 | 89.7 Ų | 89.7 | 43% | 0.429 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.1 | -26.9 | -172.8 | 25.1 | -32.9 | 0 | 0 | 0 | 112 | D11 R17 | D11-P13 VanDerWaalsContact C-CD 3.45Å; P13-R17 WeakPolarHBondContact O-CG 3.43Å; P13-R17 PolarHBondContact O-NE 3.4Å |
| 14 | L | 52.7 | Low | 65.2 | Low | 114 Ų | 114 | 81.8 Ų | 81.8 | 60% | 0.597 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -75.8 | -30 | 175.7 | -71.2 | 165.1 | 0 | 0 | 0 | 112.6 | E12 | E12-L14 PolarHBondContact O-N 2.89Å; E12-L14 VanDerWaalsContact O-N 3.14Å |
| 15 | R | 58.5 | Low | 66.7 | Low | 102 Ų | 102 | 78 Ų | 78 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.5 | -40.5 | 179.2 | -67.2 | 177.2 | -170.9 | 151.2 | 4.1 | 111.5 | S9 D11 E12 R17 | S9-R15 PolarHBondContact OG-NH1 2.97Å; D11-R15 IonicContact OD2-NH2 3.99Å; E12-R15 PolarHBondContact O-N 3.44Å; E12-R15 WeakPolarHBondContact OE1-CD 3.48Å; E12-R15 IonicContact OE1-CZ 2.89Å; E12-R15 IonicContact OE1-NE 3.7Å; E12-R15 IonicContact OE1-NH1 3.91Å; E12-R15 PolarHBondContact OE1-NH1 3.37Å; R15-R17 VanDerWaalsContact C-N 3.25Å; R15-R17 PolarHBondContact O-N 2.86Å |
| 16 | S | 67.1 | Low | 68.8 | Low | 54 Ų | 54 | 79 Ų | 79 | 38% | 0.378 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.1 | -19.9 | -179.3 | -49.6 | 0 | 0 | 0 | 0 | 113.5 | E12 A66 | E12-S16 PolarHBondContact O-N 2.96Å; E12-S16 PolarHBondContact O-OG 3.43Å; S16-A66 VanDerWaalsContact O-CB 3.27Å; S16-A66 WeakPolarHBondContact O-CB 3.48Å |
| 17 | R | 83.1 | Confident | 70.7 | Confident | 70 Ų | 70 | 80 Ų | 80 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -13.9 | -178.4 | -76.1 | -178.3 | -71.1 | 178 | -2.1 | 114.6 | P13 R15 F60 A61 D63 | P13-R17 WeakPolarHBondContact O-CG 3.43Å; P13-R17 PolarHBondContact O-NE 3.4Å; R15-R17 VanDerWaalsContact C-N 3.25Å; R15-R17 PolarHBondContact O-N 2.86Å; R17-F60 WeakPolarHBondContact CB-O 3.38Å; R17-F60 PolarHBondContact O-N 3.44Å; R17-A61 WeakPolarHBondContact CD-O 3.27Å; R17-D63 HydrophobicContact CG-CB 3.88Å |
| 18 | K | 87 | Confident | 72.6 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 32% | 0.317 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.1 | -175.2 | -166.7 | 178.2 | -176.5 | 170.1 | 0 | 110.8 | F57 V58 A86 | K18-F57 VanDerWaalsContact CE-CB 3.42Å; K18-V58 WeakPolarHBondContact CA-O 3.47Å; K18-A86 HydrophobicContact CB-CB 3.9Å; K18-A86 HydrophobicContact CD-CB 3.93Å; K18-A86 HydrophobicContact CG-CB 3.6Å; K18-A86 VanDerWaalsContact O-CB 3.23Å; K18-A86 WeakPolarHBondContact O-CB 3.28Å; K18-A86 PolarHBondContact O-N 3.5Å; K18-A86 VanDerWaalsContact O-N 3.12Å |
| 19 | V | 89.1 | Confident | 74.8 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 146.6 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | V21 F57 V58 F60 A66 I83 S84 | V19-V21 HydrophobicContact CG2-CG2 4.26Å; V19-F57 WeakPolarHBondContact O-CA 3.35Å; V19-V58 HydrophobicContact CG2-CB 3.71Å; V19-V58 HydrophobicContact CG2-CG1 4.49Å; V19-V58 WeakPolarHBondContact CG2-O 3.22Å; V19-V58 PolarHBondContact N-O 2.81Å; V19-V58 PolarHBondContact O-N 2.89Å; V19-F60 HydrophobicContact CB-CE2 4.48Å; V19-F60 HydrophobicContact CG1-CD2 4.18Å; V19-F60 HydrophobicContact CG1-CE2 4.02Å; V19-F60 HydrophobicContact CG2-CD2 4.22Å; V19-F60 HydrophobicContact CG2-CE2 3.6Å; V19-A66 HydrophobicContact CG1-CB 3.55Å; V19-I83 HydrophobicContact CB-CG2 3.93Å; V19-I83 HydrophobicContact CG1-CG2 4.26Å; V19-I83 HydrophobicContact CG2-CG2 4.28Å; V19-S84 WeakPolarHBondContact CA-O 3.48Å |
| 20 | F | 90.3 | Very high | 77 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 26% | 0.259 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.9 | 167.6 | 170.2 | -95 | 0 | 0 | 0 | 108.7 | F55 F57 I83 S84 | F20-F55 HydrophobicContact CD2-CB 4.4Å; F20-F55 HydrophobicContact CD2-CD2 4.42Å; F20-F55 HydrophobicContact CE2-CB 3.45Å; F20-F55 VanDerWaalsContact CE2-CB 3.45Å; F20-F55 HydrophobicContact CE2-CD1 4.41Å; F20-F55 AromaticContact CE2-CD2 3.8Å; F20-F55 HydrophobicContact CE2-CD2 3.8Å; F20-F55 AromaticContact CE2-CG 3.68Å; F20-F55 HydrophobicContact CE2-CG 3.68Å; F20-F55 HydrophobicContact CZ-CB 3.66Å; F20-F55 HydrophobicContact CZ-CG 4.24Å; F20-F57 HydrophobicContact CB-CD1 4.42Å; F20-F57 HydrophobicContact CB-CE1 4.31Å; F20-F57 HydrophobicContact CD2-CD1 4.4Å; F20-F57 AromaticContact CD2-CE1 3.85Å; F20-F57 HydrophobicContact CD2-CE1 3.85Å; F20-F57 HydrophobicContact CD2-CZ 4.19Å; F20-I83 CarbonylContact O-C 3.49Å; F20-I83 WeakPolarHBondContact O-CA 3.47Å; F20-S84 PolarHBondContact N-O 2.86Å; F20-S84 PolarHBondContact O-N 3.35Å |
| 21 | V | 90.7 | Very high | 78.7 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111.8 | 175 | -168.5 | 0 | 0 | 0 | 0 | 107.6 | V19 C24 F37 F55 A56 V58 V81 H82 | V19-V21 HydrophobicContact CG2-CG2 4.26Å; V21-C24 VanDerWaalsContact CG1-SG 3.51Å; V21-F37 HydrophobicContact CG1-CZ 4.4Å; V21-F37 HydrophobicContact CG2-CE2 3.97Å; V21-F37 HydrophobicContact CG2-CZ 3.92Å; V21-F55 CarbonylContact O-C 3.53Å; V21-F55 WeakPolarHBondContact O-CA 3.08Å; V21-F55 WeakPolarHBondContact O-CB 3.29Å; V21-A56 HydrophobicContact CB-CB 4.46Å; V21-A56 PolarHBondContact N-O 3.26Å; V21-A56 PolarHBondContact O-N 3.22Å; V21-V58 HydrophobicContact CG2-CG2 3.88Å; V21-V81 HydrophobicContact CG1-CB 3.92Å; V21-V81 HydrophobicContact CG1-CG1 4.42Å; V21-V81 HydrophobicContact CG1-CG2 4.14Å; V21-H82 CarbonylContact C-O 3.59Å; V21-H82 WeakPolarHBondContact CA-O 3.37Å |
| 22 | G | 89.9 | Confident | 80.7 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 166.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C24 V81 H82 | G22-C24 PolarHBondContact O-N 3.13Å; G22-V81 WeakPolarHBondContact O-CA 3.41Å; G22-H82 PolarHBondContact N-O 3.42Å; G22-H82 PolarHBondContact O-N 2.9Å |
| 23 | R | 88.7 | Confident | 82.5 | Confident | 177 Ų | 177 | 64.6 Ų | 64.6 | 67% | 0.668 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 62.3 | 26.2 | -178 | -53 | -179.3 | -179.5 | 168.6 | 1.4 | 113.5 | A54 S80 | R23-A54 PolarHBondContact N-O 2.89Å; R23-S80 WeakPolarHBondContact CB-O 3.32Å |
| 24 | C | 87.9 | Confident | 84.3 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.027 | 32% | 0.318 | C | S | . | . | trans | -71.5 | 150.9 | 170.6 | -59.8 | 0 | 0 | 0 | 0 | 110.4 | V21 G22 M28 F52 A54 | V21-C24 VanDerWaalsContact CG1-SG 3.51Å; G22-C24 PolarHBondContact O-N 3.13Å; C24-M28 HydrophobicContact CB-SD 4.05Å; C24-F52 HydrophobicContact CB-CZ 4.19Å; C24-F52 WeakPolarHBondContact O-CZ 3.41Å; C24-A54 PolarHBondContact N-O 3.3Å; C24-A54 VanDerWaalsContact N-O 3.12Å; C24-A54 WeakPolarHBondContact O-CA 3.23Å; C24-A54 VanDerWaalsContact O-CB 3.27Å; C24-A54 WeakPolarHBondContact O-CB 3.37Å | ||
| 25 | T | 87.7 | Confident | 86.1 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 26% | 0.264 | 32% | 0.32 | S | S | . | . | trans | -100.9 | 163.3 | 168.7 | 60.5 | 0 | 0 | 0 | 0 | 111 | D27 M28 F52 I79 | T25-D27 PolarHBondContact O-N 3.4Å; T25-M28 WeakPolarHBondContact O-CB 3.37Å; T25-M28 PolarHBondContact O-N 2.89Å; T25-F52 WeakPolarHBondContact O-CZ 3.39Å; T25-I79 HydrophobicContact CG2-CD1 3.72Å; T25-I79 HydrophobicContact CG2-CG1 4.44Å; T25-I79 HydrophobicContact CG2-CG2 4.25Å; T25-I79 WeakPolarHBondContact OG1-CD1 3.17Å | ||
| 26 | E | 85.7 | Confident | 87.6 | Confident | 154 Ų | 154 | 64 Ų | 64 | 72% | 0.72 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.1 | 178.3 | -179.1 | 170 | 81.9 | 0 | 0 | 112 | M28 F52 | E26-M28 PolarHBondContact O-N 2.92Å; E26-F52 HydrophobicContact CB-CD1 4.08Å; E26-F52 HydrophobicContact CB-CE1 4.19Å; E26-F52 HydrophobicContact CB-CG 4.32Å; E26-F52 VanDerWaalsContact N-CE1 3.33Å; E26-F52 VanDerWaalsContact N-CZ 3.31Å |
| 27 | D | 86 | Confident | 88.7 | Confident | 122 Ų | 122 | 61.4 Ų | 61.4 | 65% | 0.652 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.2 | 174.3 | -53 | -84 | 0 | 0 | 0 | 113.8 | T25 T29 | T25-D27 PolarHBondContact O-N 3.4Å; D27-T29 PolarHBondContact O-N 3.16Å |
| 28 | M | 85.6 | Confident | 89 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | trans | -85.3 | 107.5 | 177.8 | -66.6 | -171.4 | -177.7 | 0 | 0 | 110.7 | C24 T25 E26 L33 I76 I79 V81 | C24-M28 HydrophobicContact CB-SD 4.05Å; T25-M28 WeakPolarHBondContact O-CB 3.37Å; T25-M28 PolarHBondContact O-N 2.89Å; E26-M28 PolarHBondContact O-N 2.92Å; M28-L33 HydrophobicContact SD-CD2 4.33Å; M28-I76 HydrophobicContact CE-CB 3.65Å; M28-I76 HydrophobicContact CE-CG2 3.9Å; M28-I76 WeakPolarHBondContact CE-O 3.36Å; M28-I76 HydrophobicContact SD-CB 4.33Å; M28-I76 HydrophobicContact SD-CG2 4.24Å; M28-I79 HydrophobicContact CE-CB 3.51Å; M28-I79 HydrophobicContact CE-CD1 3.64Å; M28-I79 HydrophobicContact CE-CG1 4.16Å; M28-I79 HydrophobicContact CE-CG2 3.72Å; M28-V81 HydrophobicContact CE-CG1 3.77Å; M28-V81 HydrophobicContact SD-CG1 3.91Å | ||
| 29 | T | 90 | Very high | 89.1 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 40% | 0.399 | 33% | 0.328 | S | S | . | . | trans | -85 | 163.7 | 174.6 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | D27 E31 E32 L33 | D27-T29 PolarHBondContact O-N 3.16Å; T29-E31 PolarHBondContact O-N 2.83Å; T29-E32 PolarHBondContact O-N 2.92Å; T29-E32 VanDerWaalsContact OG1-CG 3.23Å; T29-E32 WeakPolarHBondContact OG1-CG 3.38Å; T29-E32 PolarHBondContact OG1-N 3.46Å; T29-L33 PolarHBondContact O-N 2.87Å; T29-L33 VanDerWaalsContact O-N 3.13Å | ||
| 30 | A | 89.7 | Confident | 89 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -35.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Q34 V46 I48 | A30-Q34 VanDerWaalsContact O-CB 3.29Å; A30-Q34 WeakPolarHBondContact O-CB 3.36Å; A30-Q34 PolarHBondContact O-N 3.35Å; A30-V46 HydrophobicContact CB-CB 4.08Å; A30-V46 HydrophobicContact CB-CG1 3.8Å; A30-I48 HydrophobicContact CB-CD1 4Å; A30-I48 HydrophobicContact CB-CG1 4.47Å |
| 31 | E | 90.1 | Very high | 88.9 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.5 | -44.1 | 176.9 | -68.1 | 176.9 | 95.1 | 0 | 0 | 111.8 | T29 Q34 Q35 | T29-E31 PolarHBondContact O-N 2.83Å; E31-Q34 PolarHBondContact O-N 3.31Å; E31-Q35 WeakPolarHBondContact O-CG 3.41Å; E31-Q35 PolarHBondContact O-N 2.89Å |
| 32 | E | 89.8 | Confident | 88.9 | Confident | 66 Ų | 66 | 75 Ų | 75 | 31% | 0.308 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 179 | -63.2 | -83.3 | 101.1 | 0 | 0 | 111 | T29 Q34 Q35 F36 K77 | T29-E32 PolarHBondContact O-N 2.92Å; T29-E32 VanDerWaalsContact OG1-CG 3.23Å; T29-E32 WeakPolarHBondContact OG1-CG 3.38Å; T29-E32 PolarHBondContact OG1-N 3.46Å; E32-Q34 VanDerWaalsContact C-N 3.33Å; E32-Q34 PolarHBondContact O-N 3.42Å; E32-Q35 PolarHBondContact O-N 3.24Å; E32-F36 WeakPolarHBondContact O-CB 3.47Å; E32-F36 PolarHBondContact O-N 2.79Å; E32-K77 WeakPolarHBondContact OE2-CD 3.11Å; E32-K77 IonicContact OE2-NZ 2.72Å; E32-K77 PolarHBondContact OE2-NZ 3.49Å |
| 33 | L | 90 | Very high | 89 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.4 | -69.9 | 169.8 | 0 | 0 | 0 | 110.2 | M28 T29 F36 F37 V46 I48 A56 I76 | M28-L33 HydrophobicContact SD-CD2 4.33Å; T29-L33 PolarHBondContact O-N 2.87Å; T29-L33 VanDerWaalsContact O-N 3.13Å; L33-F36 PolarHBondContact O-N 2.78Å; L33-F37 HydrophobicContact CB-CD2 4.27Å; L33-F37 HydrophobicContact CB-CE2 4.44Å; L33-F37 HydrophobicContact CD2-CE2 3.94Å; L33-F37 WeakPolarHBondContact O-CB 3.43Å; L33-F37 WeakPolarHBondContact O-CD2 3.46Å; L33-F37 PolarHBondContact O-N 3.22Å; L33-V46 HydrophobicContact CB-CG1 4.17Å; L33-V46 HydrophobicContact CD1-CG1 4.05Å; L33-I48 HydrophobicContact CD1-CD1 4.15Å; L33-I48 HydrophobicContact CD1-CG1 4.43Å; L33-A56 HydrophobicContact CD1-CB 3.62Å; L33-I76 HydrophobicContact CD2-CD1 3.81Å |
| 34 | Q | 91.2 | Very high | 89.1 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 178.8 | -175.2 | 172.1 | 77.5 | 0 | 0 | 111.6 | A30 E31 E32 F36 F37 C38 V43 V46 | A30-Q34 VanDerWaalsContact O-CB 3.29Å; A30-Q34 WeakPolarHBondContact O-CB 3.36Å; A30-Q34 PolarHBondContact O-N 3.35Å; E31-Q34 PolarHBondContact O-N 3.31Å; E32-Q34 VanDerWaalsContact C-N 3.33Å; E32-Q34 PolarHBondContact O-N 3.42Å; Q34-F36 VanDerWaalsContact C-N 3.35Å; Q34-F36 PolarHBondContact O-N 3.18Å; Q34-F37 PolarHBondContact O-N 3.04Å; Q34-C38 WeakPolarHBondContact O-CB 3.39Å; Q34-C38 PolarHBondContact O-N 3.37Å; Q34-V43 HydrophobicContact CG-CB 4.06Å; Q34-V43 HydrophobicContact CG-CG1 4.02Å; Q34-V46 HydrophobicContact CB-CG2 3.98Å |
| 35 | Q | 90.8 | Very high | 89.1 | Confident | 137 Ų | 137 | 75.3 Ų | 75.3 | 64% | 0.64 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 179 | -73 | -174.6 | 10.6 | 0 | 0 | 112.3 | E31 E32 C38 | E31-Q35 WeakPolarHBondContact O-CG 3.41Å; E31-Q35 PolarHBondContact O-N 2.89Å; E32-Q35 PolarHBondContact O-N 3.24Å; Q35-C38 WeakPolarHBondContact O-CB 3.36Å |
| 36 | F | 90.2 | Very high | 89.3 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.5 | -47 | 178.3 | -176.1 | -93.7 | 0 | 0 | 0 | 111.9 | E32 L33 Q34 C38 Q39 Y40 L74 I76 | E32-F36 WeakPolarHBondContact O-CB 3.47Å; E32-F36 PolarHBondContact O-N 2.79Å; L33-F36 PolarHBondContact O-N 2.78Å; Q34-F36 VanDerWaalsContact C-N 3.35Å; Q34-F36 PolarHBondContact O-N 3.18Å; F36-C38 VanDerWaalsContact C-N 3.31Å; F36-C38 PolarHBondContact O-N 3.37Å; F36-Q39 PolarHBondContact O-N 3.11Å; F36-Y40 HydrophobicContact CD1-CE2 4.22Å; F36-Y40 AromaticContact CE1-CE2 3.76Å; F36-Y40 HydrophobicContact CE1-CE2 3.76Å; F36-Y40 HydrophobicContact CZ-CE2 4.17Å; F36-L74 HydrophobicContact CE1-CB 4.11Å; F36-L74 HydrophobicContact CE1-CD1 3.69Å; F36-L74 HydrophobicContact CZ-CB 4.31Å; F36-L74 HydrophobicContact CZ-CD1 4.42Å; F36-I76 HydrophobicContact CD1-CD1 3.68Å; F36-I76 HydrophobicContact CD1-CG1 3.7Å; F36-I76 HydrophobicContact CD2-CG1 4.16Å; F36-I76 HydrophobicContact CE1-CD1 3.93Å; F36-I76 HydrophobicContact CE1-CG1 3.59Å; F36-I76 HydrophobicContact CE2-CG1 4.07Å; F36-I76 HydrophobicContact CG-CD1 4.16Å; F36-I76 HydrophobicContact CG-CG1 3.98Å; F36-I76 HydrophobicContact CZ-CG1 3.79Å |
| 37 | F | 89.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.1 | -24.1 | -179.6 | -76.7 | -61.2 | 0 | 0 | 0 | 113.4 | V21 L33 Q34 Q39 Y40 G41 V43 V58 F60 L69 L74 I76 I83 | V21-F37 HydrophobicContact CG1-CZ 4.4Å; V21-F37 HydrophobicContact CG2-CE2 3.97Å; V21-F37 HydrophobicContact CG2-CZ 3.92Å; L33-F37 HydrophobicContact CB-CD2 4.27Å; L33-F37 HydrophobicContact CB-CE2 4.44Å; L33-F37 HydrophobicContact CD2-CE2 3.94Å; L33-F37 WeakPolarHBondContact O-CB 3.43Å; L33-F37 WeakPolarHBondContact O-CD2 3.46Å; L33-F37 PolarHBondContact O-N 3.22Å; Q34-F37 PolarHBondContact O-N 3.04Å; F37-Q39 PolarHBondContact O-N 3.35Å; F37-Q39 VanDerWaalsContact O-N 3.15Å; F37-Y40 HydrophobicContact CD1-CD2 4.44Å; F37-Y40 PolarHBondContact O-N 3.43Å; F37-G41 PolarHBondContact O-N 2.95Å; F37-G41 VanDerWaalsContact O-O 3.11Å; F37-V43 HydrophobicContact CB-CG2 3.52Å; F37-V58 HydrophobicContact CB-CG1 4.48Å; F37-V58 HydrophobicContact CD2-CB 4.48Å; F37-V58 HydrophobicContact CD2-CG1 4.18Å; F37-V58 HydrophobicContact CD2-CG2 3.84Å; F37-V58 HydrophobicContact CE2-CG2 3.87Å; F37-V58 HydrophobicContact CG-CG1 4.39Å; F37-F60 HydrophobicContact CB-CE1 3.92Å; F37-F60 HydrophobicContact CB-CZ 3.86Å; F37-F60 HydrophobicContact CD1-CE1 4.45Å; F37-F60 AromaticContact CD1-CZ 3.68Å; F37-F60 HydrophobicContact CD1-CZ 3.68Å; F37-F60 HydrophobicContact CE1-CZ 4.48Å; F37-F60 HydrophobicContact CG-CE1 4.47Å; F37-F60 AromaticContact CG-CZ 3.92Å; F37-F60 HydrophobicContact CG-CZ 3.92Å; F37-L69 HydrophobicContact CD1-CD1 4.06Å; F37-L69 HydrophobicContact CE1-CD1 4.22Å; F37-L74 HydrophobicContact CE1-CD1 3.85Å; F37-I76 HydrophobicContact CE2-CD1 4.39Å; F37-I76 HydrophobicContact CZ-CD1 4.45Å; F37-I83 HydrophobicContact CE1-CD1 3.5Å; F37-I83 VanDerWaalsContact CE1-CD1 3.5Å; F37-I83 HydrophobicContact CZ-CD1 3.78Å; F37-I83 HydrophobicContact CZ-CG1 4.39Å |
| 38 | C | 89.4 | Confident | 89.6 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.2 | -25.4 | 175.2 | -162.3 | 0 | 0 | 0 | 0 | 112.9 | Q34 Q35 F36 Y40 G41 | Q34-C38 WeakPolarHBondContact O-CB 3.39Å; Q34-C38 PolarHBondContact O-N 3.37Å; Q35-C38 WeakPolarHBondContact O-CB 3.36Å; F36-C38 VanDerWaalsContact C-N 3.31Å; F36-C38 PolarHBondContact O-N 3.37Å; C38-Y40 VanDerWaalsContact C-N 3.31Å; C38-Y40 PolarHBondContact O-N 3.19Å; C38-G41 VanDerWaalsContact CA-O 3.28Å; C38-G41 WeakPolarHBondContact CA-O 3.4Å |
| 39 | Q | 89.3 | Confident | 89.6 | Confident | 163 Ų | 163 | 69 Ų | 69 | 76% | 0.762 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.5 | 175.6 | -176.3 | 166.1 | 76.7 | 0 | 0 | 113.2 | F36 F37 | F36-Q39 PolarHBondContact O-N 3.11Å; F37-Q39 PolarHBondContact O-N 3.35Å; F37-Q39 VanDerWaalsContact O-N 3.15Å |
| 40 | Y | 86.6 | Confident | 89.4 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 38% | 0.376 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -30.4 | 179.6 | -60.7 | -87.5 | 0 | 0 | 0 | 112.1 | F36 F37 C38 V65 L69 L74 | F36-Y40 HydrophobicContact CD1-CE2 4.22Å; F36-Y40 AromaticContact CE1-CE2 3.76Å; F36-Y40 HydrophobicContact CE1-CE2 3.76Å; F36-Y40 HydrophobicContact CZ-CE2 4.17Å; F37-Y40 HydrophobicContact CD1-CD2 4.44Å; F37-Y40 PolarHBondContact O-N 3.43Å; C38-Y40 VanDerWaalsContact C-N 3.31Å; C38-Y40 PolarHBondContact O-N 3.19Å; Y40-V65 WeakPolarHBondContact O-CG1 3.47Å; Y40-L69 HydrophobicContact CD1-CD2 3.69Å; Y40-L69 HydrophobicContact CE1-CD2 4.07Å; Y40-L69 HydrophobicContact CG-CD1 4.22Å; Y40-L69 HydrophobicContact CG-CD2 4.02Å; Y40-L74 HydrophobicContact CE2-CD1 4.12Å |
| 41 | G | 88 | Confident | 89.2 | Confident | 17 Ų | 17 | 78.5 Ų | 78.5 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 178.1 | 173.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F37 C38 V43 | F37-G41 PolarHBondContact O-N 2.95Å; F37-G41 VanDerWaalsContact O-O 3.11Å; C38-G41 VanDerWaalsContact CA-O 3.28Å; C38-G41 WeakPolarHBondContact CA-O 3.4Å; G41-V43 PolarHBondContact O-N 3.29Å |
| 42 | E | 91 | Very high | 89 | Confident | 136 Ų | 136 | 75.3 Ų | 75.3 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | trans | -68.6 | 122.7 | -177.8 | -172.5 | 176.2 | 137.3 | 0 | 0 | 111.2 | F60 A61 | E42-F60 CarbonylContact O-C 3.48Å; E42-F60 WeakPolarHBondContact O-CA 3.34Å; E42-A61 HydrophobicContact CB-CB 3.85Å; E42-A61 HydrophobicContact CG-CB 4.14Å; E42-A61 PolarHBondContact O-N 3.42Å | ||
| 43 | V | 91.9 | Very high | 88.7 | Confident | 18 Ų | 18 | 80.3 Ų | 80.3 | 11% | 0.109 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | Q34 F37 G41 V46 V58 F60 | Q34-V43 HydrophobicContact CG-CB 4.06Å; Q34-V43 HydrophobicContact CG-CG1 4.02Å; F37-V43 HydrophobicContact CB-CG2 3.52Å; G41-V43 PolarHBondContact O-N 3.29Å; V43-V46 HydrophobicContact CG1-CG2 3.68Å; V43-V58 HydrophobicContact CG1-CG1 3.78Å; V43-V58 HydrophobicContact CG2-CG1 4.3Å; V43-F60 HydrophobicContact CG2-CD1 4.13Å; V43-F60 HydrophobicContact CG2-CE1 3.83Å |
| 44 | V | 90.8 | Very high | 88.6 | Confident | 87 Ų | 87 | 82.3 Ų | 82.3 | 53% | 0.527 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -44.8 | 180 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | T59 A61 | V44-T59 HydrophobicContact CB-CG2 4.49Å; V44-T59 PolarHBondContact N-O 3.12Å; V44-A61 HydrophobicContact CG2-CB 3.83Å |
| 45 | D | 88.9 | Confident | 88.5 | Confident | 88 Ų | 88 | 80.5 Ų | 80.5 | 47% | 0.471 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 145.7 | -174.6 | -166.8 | -115.3 | 0 | 0 | 0 | 111.8 | T59 | D45-T59 PolarHBondContact N-O 2.99Å; D45-T59 PolarHBondContact O-N 2.76Å |
| 46 | V | 90.9 | Very high | 88.5 | Confident | 21 Ų | 21 | 74 Ų | 74 | 13% | 0.127 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121.3 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | A30 L33 Q34 V43 I48 F57 V58 | A30-V46 HydrophobicContact CB-CB 4.08Å; A30-V46 HydrophobicContact CB-CG1 3.8Å; L33-V46 HydrophobicContact CB-CG1 4.17Å; L33-V46 HydrophobicContact CD1-CG1 4.05Å; Q34-V46 HydrophobicContact CB-CG2 3.98Å; V43-V46 HydrophobicContact CG1-CG2 3.68Å; V46-I48 HydrophobicContact CG1-CG1 4.49Å; V46-F57 WeakPolarHBondContact CA-O 3.37Å; V46-V58 HydrophobicContact CG1-CG2 4.28Å; V46-V58 HydrophobicContact CG2-CG1 4.32Å; V46-V58 HydrophobicContact CG2-CG2 4.3Å |
| 47 | F | 88.9 | Confident | 88.5 | Confident | 109 Ų | 109 | 73.4 Ų | 73.4 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 115.7 | -177.7 | -179.5 | -99.2 | 0 | 0 | 0 | 111.3 | P49 F57 | F47-P49 HydrophobicContact CE1-CB 3.97Å; F47-P49 HydrophobicContact CE1-CG 4.36Å; F47-P49 HydrophobicContact CZ-CB 4.48Å; F47-F57 HydrophobicContact CB-CB 4.43Å; F47-F57 AromaticContact CD1-CD2 3.97Å; F47-F57 HydrophobicContact CD1-CD2 3.97Å; F47-F57 PolarHBondContact N-O 2.73Å; F47-F57 PolarHBondContact O-N 3.35Å |
| 48 | I | 90 | Very high | 88.6 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | trans | -107.8 | 111.1 | 174.5 | -54.3 | 176.8 | 0 | 0 | 0 | 108.5 | A30 L33 V46 F52 A56 | A30-I48 HydrophobicContact CB-CD1 4Å; A30-I48 HydrophobicContact CB-CG1 4.47Å; L33-I48 HydrophobicContact CD1-CD1 4.15Å; L33-I48 HydrophobicContact CD1-CG1 4.43Å; V46-I48 HydrophobicContact CG1-CG1 4.49Å; I48-F52 HydrophobicContact CG2-CD2 4.08Å; I48-F52 HydrophobicContact CG2-CE2 4.27Å; I48-A56 HydrophobicContact CG1-CB 3.98Å | ||
| 49 | P | 84.5 | Confident | 88.6 | Confident | 21 Ų | 21 | 71 Ų | 71 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | trans | -67.6 | 141.5 | 179 | 18.1 | -19.7 | 0 | 0 | 0 | 111.8 | F47 P51 F55 | F47-P49 HydrophobicContact CE1-CB 3.97Å; F47-P49 HydrophobicContact CE1-CG 4.36Å; F47-P49 HydrophobicContact CZ-CB 4.48Å; P49-P51 CarbonylContact O-C 3.58Å; P49-P51 VanDerWaalsContact O-O 3.14Å; P49-F55 HydrophobicContact CB-CE2 4.4Å; P49-F55 HydrophobicContact CG-CD2 3.77Å; P49-F55 HydrophobicContact CG-CE2 3.22Å; P49-F55 HydrophobicContact CG-CZ 3.77Å | ||
| 50 | K | 85.8 | Confident | 88.6 | Confident | 201 Ų | 201 | 63.2 Ų | 63.2 | 87% | 0.874 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -109.4 | 134.1 | 171 | -65.2 | -174.9 | 179.6 | -179 | 0 | 109.4 | ||
| 51 | P | 85.9 | Confident | 88.8 | Confident | 98 Ų | 98 | 60 Ų | 60 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | S | Bend | cis | -65.6 | 151.9 | 0.8 | 29.6 | -36.3 | 0 | 0 | 0 | 112.5 | P49 R53 | P49-P51 CarbonylContact O-C 3.58Å; P49-P51 VanDerWaalsContact O-O 3.14Å; P51-R53 WeakPolarHBondContact O-CG 3.32Å; P51-R53 PolarHBondContact O-N 3.05Å |
| 52 | F | 85.9 | Confident | 88.6 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 30% | 0.303 | 32% | 0.322 | S | S | . | . | trans | -59.2 | 129.3 | -179.2 | -174.4 | -99.3 | 0 | 0 | 0 | 110.1 | C24 T25 E26 I48 A54 | C24-F52 HydrophobicContact CB-CZ 4.19Å; C24-F52 WeakPolarHBondContact O-CZ 3.41Å; T25-F52 WeakPolarHBondContact O-CZ 3.39Å; E26-F52 HydrophobicContact CB-CD1 4.08Å; E26-F52 HydrophobicContact CB-CE1 4.19Å; E26-F52 HydrophobicContact CB-CG 4.32Å; E26-F52 VanDerWaalsContact N-CE1 3.33Å; E26-F52 VanDerWaalsContact N-CZ 3.31Å; I48-F52 HydrophobicContact CG2-CD2 4.08Å; I48-F52 HydrophobicContact CG2-CE2 4.27Å; F52-A54 VanDerWaalsContact CE1-CA 3.43Å; F52-A54 HydrophobicContact CE1-CB 4.11Å; F52-A54 VanDerWaalsContact CE1-N 3.29Å | ||
| 53 | R | 84 | Confident | 88.1 | Confident | 171 Ų | 171 | 60.1 Ų | 60.1 | 65% | 0.645 | 31% | 0.309 | S | S | * | . | trans | -125.3 | 23.9 | -175.6 | -75.6 | -176.9 | 177.6 | -168 | -1.9 | 113.3 | P51 F55 | P51-R53 WeakPolarHBondContact O-CG 3.32Å; P51-R53 PolarHBondContact O-N 3.05Å; R53-F55 HydrophobicContact CB-CD1 3.47Å; R53-F55 VanDerWaalsContact CB-CD1 3.47Å; R53-F55 HydrophobicContact CB-CE1 3.12Å; R53-F55 HydrophobicContact CB-CZ 3.95Å; R53-F55 HydrophobicContact CG-CE1 4Å; R53-F55 WeakPolarHBondContact O-CD1 3.41Å; R53-F55 PolarHBondContact O-N 3.25Å | ||
| 54 | A | 87.7 | Confident | 87.8 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 58.9 | 29.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R23 C24 F52 | R23-A54 PolarHBondContact N-O 2.89Å; C24-A54 PolarHBondContact N-O 3.3Å; C24-A54 VanDerWaalsContact N-O 3.12Å; C24-A54 WeakPolarHBondContact O-CA 3.23Å; C24-A54 VanDerWaalsContact O-CB 3.27Å; C24-A54 WeakPolarHBondContact O-CB 3.37Å; F52-A54 VanDerWaalsContact CE1-CA 3.43Å; F52-A54 HydrophobicContact CE1-CB 4.11Å; F52-A54 VanDerWaalsContact CE1-N 3.29Å |
| 55 | F | 89.1 | Confident | 87.6 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 154.3 | 173.4 | 67.7 | -99.9 | 0 | 0 | 0 | 112.5 | F20 V21 P49 R53 F57 | F20-F55 HydrophobicContact CD2-CB 4.4Å; F20-F55 HydrophobicContact CD2-CD2 4.42Å; F20-F55 HydrophobicContact CE2-CB 3.45Å; F20-F55 VanDerWaalsContact CE2-CB 3.45Å; F20-F55 HydrophobicContact CE2-CD1 4.41Å; F20-F55 AromaticContact CE2-CD2 3.8Å; F20-F55 HydrophobicContact CE2-CD2 3.8Å; F20-F55 AromaticContact CE2-CG 3.68Å; F20-F55 HydrophobicContact CE2-CG 3.68Å; F20-F55 HydrophobicContact CZ-CB 3.66Å; F20-F55 HydrophobicContact CZ-CG 4.24Å; V21-F55 CarbonylContact O-C 3.53Å; V21-F55 WeakPolarHBondContact O-CA 3.08Å; V21-F55 WeakPolarHBondContact O-CB 3.29Å; P49-F55 HydrophobicContact CB-CE2 4.4Å; P49-F55 HydrophobicContact CG-CD2 3.77Å; P49-F55 HydrophobicContact CG-CE2 3.22Å; P49-F55 HydrophobicContact CG-CZ 3.77Å; R53-F55 HydrophobicContact CB-CD1 3.47Å; R53-F55 VanDerWaalsContact CB-CD1 3.47Å; R53-F55 HydrophobicContact CB-CE1 3.12Å; R53-F55 HydrophobicContact CB-CZ 3.95Å; R53-F55 HydrophobicContact CG-CE1 4Å; R53-F55 WeakPolarHBondContact O-CD1 3.41Å; R53-F55 PolarHBondContact O-N 3.25Å; F55-F57 AromaticContact CD2-CE2 3.96Å; F55-F57 HydrophobicContact CD2-CE2 3.96Å; F55-F57 HydrophobicContact CD2-CZ 4.37Å; F55-F57 AromaticContact CE2-CE2 3.67Å; F55-F57 HydrophobicContact CE2-CE2 3.67Å; F55-F57 HydrophobicContact CE2-CZ 4.14Å |
| 56 | A | 90.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 163.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V21 L33 I48 | V21-A56 HydrophobicContact CB-CB 4.46Å; V21-A56 PolarHBondContact N-O 3.26Å; V21-A56 PolarHBondContact O-N 3.22Å; L33-A56 HydrophobicContact CD1-CB 3.62Å; I48-A56 HydrophobicContact CG1-CB 3.98Å |
| 57 | F | 90.5 | Very high | 87 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.2 | 170.4 | -64.2 | -84.4 | 0 | 0 | 0 | 110.1 | K18 V19 F20 V46 F47 F55 A86 | K18-F57 VanDerWaalsContact CE-CB 3.42Å; V19-F57 WeakPolarHBondContact O-CA 3.35Å; F20-F57 HydrophobicContact CB-CD1 4.42Å; F20-F57 HydrophobicContact CB-CE1 4.31Å; F20-F57 HydrophobicContact CD2-CD1 4.4Å; F20-F57 AromaticContact CD2-CE1 3.85Å; F20-F57 HydrophobicContact CD2-CE1 3.85Å; F20-F57 HydrophobicContact CD2-CZ 4.19Å; V46-F57 WeakPolarHBondContact CA-O 3.37Å; F47-F57 HydrophobicContact CB-CB 4.43Å; F47-F57 AromaticContact CD1-CD2 3.97Å; F47-F57 HydrophobicContact CD1-CD2 3.97Å; F47-F57 PolarHBondContact N-O 2.73Å; F47-F57 PolarHBondContact O-N 3.35Å; F55-F57 AromaticContact CD2-CE2 3.96Å; F55-F57 HydrophobicContact CD2-CE2 3.96Å; F55-F57 HydrophobicContact CD2-CZ 4.37Å; F55-F57 AromaticContact CE2-CE2 3.67Å; F55-F57 HydrophobicContact CE2-CE2 3.67Å; F55-F57 HydrophobicContact CE2-CZ 4.14Å; F57-A86 HydrophobicContact CD1-CB 3.97Å; F57-A86 HydrophobicContact CE1-CB 4.15Å |
| 58 | V | 90.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.3 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | K18 V19 V21 F37 V43 V46 F60 | K18-V58 WeakPolarHBondContact CA-O 3.47Å; V19-V58 HydrophobicContact CG2-CB 3.71Å; V19-V58 HydrophobicContact CG2-CG1 4.49Å; V19-V58 WeakPolarHBondContact CG2-O 3.22Å; V19-V58 PolarHBondContact N-O 2.81Å; V19-V58 PolarHBondContact O-N 2.89Å; V21-V58 HydrophobicContact CG2-CG2 3.88Å; F37-V58 HydrophobicContact CB-CG1 4.48Å; F37-V58 HydrophobicContact CD2-CB 4.48Å; F37-V58 HydrophobicContact CD2-CG1 4.18Å; F37-V58 HydrophobicContact CD2-CG2 3.84Å; F37-V58 HydrophobicContact CE2-CG2 3.87Å; F37-V58 HydrophobicContact CG-CG1 4.39Å; V43-V58 HydrophobicContact CG1-CG1 3.78Å; V43-V58 HydrophobicContact CG2-CG1 4.3Å; V46-V58 HydrophobicContact CG1-CG2 4.28Å; V46-V58 HydrophobicContact CG2-CG1 4.32Å; V46-V58 HydrophobicContact CG2-CG2 4.3Å; V58-F60 HydrophobicContact CB-CE2 4.48Å; V58-F60 HydrophobicContact CG1-CD2 4.34Å; V58-F60 HydrophobicContact CG1-CE2 3.93Å; V58-F60 HydrophobicContact CG1-CZ 4.01Å |
| 59 | T | 89.2 | Confident | 86.7 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 17% | 0.166 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.9 | 177 | -49.3 | 0 | 0 | 0 | 0 | 108.1 | V44 D45 | V44-T59 HydrophobicContact CB-CG2 4.49Å; V44-T59 PolarHBondContact N-O 3.12Å; D45-T59 PolarHBondContact N-O 2.99Å; D45-T59 PolarHBondContact O-N 2.76Å |
| 60 | F | 90.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 159.7 | 176.6 | -70.9 | -83.1 | 0 | 0 | 0 | 111.9 | R17 V19 F37 E42 V43 V58 D62 V65 A66 L69 | R17-F60 WeakPolarHBondContact CB-O 3.38Å; R17-F60 PolarHBondContact O-N 3.44Å; V19-F60 HydrophobicContact CB-CE2 4.48Å; V19-F60 HydrophobicContact CG1-CD2 4.18Å; V19-F60 HydrophobicContact CG1-CE2 4.02Å; V19-F60 HydrophobicContact CG2-CD2 4.22Å; V19-F60 HydrophobicContact CG2-CE2 3.6Å; F37-F60 HydrophobicContact CB-CE1 3.92Å; F37-F60 HydrophobicContact CB-CZ 3.86Å; F37-F60 HydrophobicContact CD1-CE1 4.45Å; F37-F60 AromaticContact CD1-CZ 3.68Å; F37-F60 HydrophobicContact CD1-CZ 3.68Å; F37-F60 HydrophobicContact CE1-CZ 4.48Å; F37-F60 HydrophobicContact CG-CE1 4.47Å; F37-F60 AromaticContact CG-CZ 3.92Å; F37-F60 HydrophobicContact CG-CZ 3.92Å; E42-F60 CarbonylContact O-C 3.48Å; E42-F60 WeakPolarHBondContact O-CA 3.34Å; V43-F60 HydrophobicContact CG2-CD1 4.13Å; V43-F60 HydrophobicContact CG2-CE1 3.83Å; V58-F60 HydrophobicContact CB-CE2 4.48Å; V58-F60 HydrophobicContact CG1-CD2 4.34Å; V58-F60 HydrophobicContact CG1-CE2 3.93Å; V58-F60 HydrophobicContact CG1-CZ 4.01Å; F60-D62 WeakPolarHBondContact CB-O 3.44Å; F60-V65 HydrophobicContact CD1-CB 4.49Å; F60-V65 HydrophobicContact CD1-CG1 3.94Å; F60-V65 HydrophobicContact CE1-CG1 3.92Å; F60-V65 HydrophobicContact CG-CG1 4.42Å; F60-V65 HydrophobicContact CZ-CG1 4.38Å; F60-A66 HydrophobicContact CD2-CB 3.93Å; F60-L69 HydrophobicContact CE1-CD1 4.45Å; F60-L69 HydrophobicContact CE2-CD1 4.19Å; F60-L69 HydrophobicContact CZ-CD1 3.71Å |
| 61 | A | 89.1 | Confident | 86.4 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 24% | 0.24 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -69.5 | -41.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | R17 E42 V44 | R17-A61 WeakPolarHBondContact CD-O 3.27Å; E42-A61 HydrophobicContact CB-CB 3.85Å; E42-A61 HydrophobicContact CG-CB 4.14Å; E42-A61 PolarHBondContact O-N 3.42Å; V44-A61 HydrophobicContact CG2-CB 3.83Å |
| 62 | D | 85.1 | Confident | 86.2 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | trans | -106.1 | 132 | -178.6 | -74.9 | -86 | 0 | 0 | 0 | 112.6 | F60 K64 V65 | F60-D62 WeakPolarHBondContact CB-O 3.44Å; D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 3.41Å; D62-V65 HydrophobicContact CB-CG2 4.07Å | ||
| 63 | D | 80.9 | Confident | 86.3 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.9 | -28.7 | 175.6 | 59.9 | -78.5 | 0 | 0 | 0 | 112.6 | R17 V65 A66 Q67 | R17-D63 HydrophobicContact CG-CB 3.88Å; D63-V65 VanDerWaalsContact C-N 3.32Å; D63-V65 PolarHBondContact O-N 2.82Å; D63-A66 PolarHBondContact O-N 2.85Å; D63-Q67 WeakPolarHBondContact O-CB 3.48Å; D63-Q67 PolarHBondContact O-N 2.79Å |
| 64 | K | 84.6 | Confident | 86.5 | Confident | 155 Ų | 155 | 51.1 Ų | 51.1 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 179.8 | -63 | -177.5 | -177.5 | -178.9 | 0 | 112.1 | D62 Q67 S68 | D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 3.41Å; K64-Q67 PolarHBondContact O-N 2.78Å; K64-S68 WeakPolarHBondContact O-CB 3.23Å; K64-S68 PolarHBondContact O-N 3.02Å |
| 65 | V | 86.7 | Confident | 86.5 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.17 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.4 | -48 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | Y40 F60 D62 D63 Q67 S68 L69 | Y40-V65 WeakPolarHBondContact O-CG1 3.47Å; F60-V65 HydrophobicContact CD1-CB 4.49Å; F60-V65 HydrophobicContact CD1-CG1 3.94Å; F60-V65 HydrophobicContact CE1-CG1 3.92Å; F60-V65 HydrophobicContact CG-CG1 4.42Å; F60-V65 HydrophobicContact CZ-CG1 4.38Å; D62-V65 HydrophobicContact CB-CG2 4.07Å; D63-V65 VanDerWaalsContact C-N 3.32Å; D63-V65 PolarHBondContact O-N 2.82Å; V65-Q67 VanDerWaalsContact C-N 3.3Å; V65-Q67 PolarHBondContact O-N 2.88Å; V65-S68 PolarHBondContact O-N 2.83Å; V65-L69 HydrophobicContact CG1-CD1 4.06Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 2.84Å |
| 66 | A | 84.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S16 V19 F60 D63 C70 | S16-A66 VanDerWaalsContact O-CB 3.27Å; S16-A66 WeakPolarHBondContact O-CB 3.48Å; V19-A66 HydrophobicContact CG1-CB 3.55Å; F60-A66 HydrophobicContact CD2-CB 3.93Å; D63-A66 PolarHBondContact O-N 2.85Å; A66-C70 PolarHBondContact O-N 3.37Å |
| 67 | Q | 83.2 | Confident | 86.1 | Confident | 137 Ų | 137 | 58.6 Ų | 58.6 | 64% | 0.64 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.9 | -36.8 | 178 | -168.4 | 176.5 | 11.9 | 0 | 0 | 112.4 | D63 K64 V65 L69 C70 | D63-Q67 WeakPolarHBondContact O-CB 3.48Å; D63-Q67 PolarHBondContact O-N 2.79Å; K64-Q67 PolarHBondContact O-N 2.78Å; V65-Q67 VanDerWaalsContact C-N 3.3Å; V65-Q67 PolarHBondContact O-N 2.88Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; Q67-C70 WeakPolarHBondContact O-CB 3.38Å; Q67-C70 PolarHBondContact O-N 2.79Å |
| 68 | S | 85.4 | Confident | 85.9 | Confident | 90 Ų | 90 | 60 Ų | 60 | 63% | 0.629 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -69.1 | -32.3 | 178.5 | -167.2 | 0 | 0 | 0 | 0 | 112.8 | K64 V65 | K64-S68 WeakPolarHBondContact O-CB 3.23Å; K64-S68 PolarHBondContact O-N 3.02Å; V65-S68 PolarHBondContact O-N 2.83Å |
| 69 | L | 85.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -83.6 | -14.5 | 177.5 | -64.3 | 176.9 | 0 | 0 | 0 | 112.8 | F37 Y40 F60 V65 Q67 G71 E72 L74 I83 | F37-L69 HydrophobicContact CD1-CD1 4.06Å; F37-L69 HydrophobicContact CE1-CD1 4.22Å; Y40-L69 HydrophobicContact CD1-CD2 3.69Å; Y40-L69 HydrophobicContact CE1-CD2 4.07Å; Y40-L69 HydrophobicContact CG-CD1 4.22Å; Y40-L69 HydrophobicContact CG-CD2 4.02Å; F60-L69 HydrophobicContact CE1-CD1 4.45Å; F60-L69 HydrophobicContact CE2-CD1 4.19Å; F60-L69 HydrophobicContact CZ-CD1 3.71Å; V65-L69 HydrophobicContact CG1-CD1 4.06Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 2.84Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; L69-G71 PolarHBondContact O-N 2.99Å; L69-E72 WeakPolarHBondContact O-CB 3.14Å; L69-E72 PolarHBondContact O-N 3.18Å; L69-L74 HydrophobicContact CD2-CD1 4.35Å; L69-I83 HydrophobicContact CB-CD1 4.15Å; L69-I83 HydrophobicContact CB-CG2 4.16Å; L69-I83 WeakPolarHBondContact O-CB 3.42Å; L69-I83 WeakPolarHBondContact O-CG2 3.35Å |
| 70 | C | 84 | Confident | 85.8 | Confident | 35 Ų | 35 | 64 Ų | 64 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 126.1 | -177.9 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | A66 Q67 E72 N85 | A66-C70 PolarHBondContact O-N 3.37Å; Q67-C70 WeakPolarHBondContact O-CB 3.38Å; Q67-C70 PolarHBondContact O-N 2.79Å; C70-E72 VanDerWaalsContact C-N 3.3Å; C70-N85 PolarHBondContact SG-N 3.12Å; C70-N85 VanDerWaalsContact SG-N 3.42Å; C70-N85 PolarHBondContact SG-ND2 2.96Å; C70-N85 VanDerWaalsContact SG-ND2 3.44Å; C70-N85 PolarHBondContact SG-OD1 2.93Å |
| 71 | G | 81.1 | Confident | 85.9 | Confident | 51 Ų | 51 | 64 Ų | 64 | 53% | 0.526 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -6.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L69 I83 | L69-G71 PolarHBondContact O-N 2.99Å; G71-I83 WeakPolarHBondContact CA-O 3.36Å; G71-I83 PolarHBondContact N-O 3.31Å |
| 72 | E | 82.3 | Confident | 85.9 | Confident | 106 Ų | 106 | 66 Ų | 66 | 50% | 0.495 | 37% | 0.37 | S | S | . | . | trans | -83.9 | 145.2 | 177.7 | -154.6 | 100.9 | 97.4 | 0 | 0 | 110.8 | L69 C70 L74 I83 | L69-E72 WeakPolarHBondContact O-CB 3.14Å; L69-E72 PolarHBondContact O-N 3.18Å; C70-E72 VanDerWaalsContact C-N 3.3Å; E72-L74 HydrophobicContact CG-CD2 4.07Å; E72-I83 PolarHBondContact O-N 3.01Å; E72-I83 VanDerWaalsContact O-N 3.11Å | ||
| 73 | D | 86.8 | Confident | 86.1 | Confident | 111 Ų | 111 | 61.8 Ų | 61.8 | 59% | 0.594 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.7 | 165.1 | 51.2 | -89.3 | 0 | 0 | 0 | 110.5 | V81 | D73-V81 WeakPolarHBondContact CA-O 3.47Å |
| 74 | L | 87.6 | Confident | 86.4 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 152.6 | 177.3 | -59.8 | -173.3 | 0 | 0 | 0 | 110 | F36 F37 Y40 L69 E72 S80 V81 I83 | F36-L74 HydrophobicContact CE1-CB 4.11Å; F36-L74 HydrophobicContact CE1-CD1 3.69Å; F36-L74 HydrophobicContact CZ-CB 4.31Å; F36-L74 HydrophobicContact CZ-CD1 4.42Å; F37-L74 HydrophobicContact CE1-CD1 3.85Å; Y40-L74 HydrophobicContact CE2-CD1 4.12Å; L69-L74 HydrophobicContact CD2-CD1 4.35Å; E72-L74 HydrophobicContact CG-CD2 4.07Å; L74-S80 CarbonylContact O-C 3.59Å; L74-S80 WeakPolarHBondContact O-CA 3.27Å; L74-V81 HydrophobicContact CB-CG2 3.85Å; L74-V81 PolarHBondContact N-O 3.14Å; L74-V81 WeakPolarHBondContact O-CG2 3.33Å; L74-V81 PolarHBondContact O-N 3.39Å; L74-I83 HydrophobicContact CB-CD1 4.48Å; L74-I83 HydrophobicContact CD1-CD1 3.29Å; L74-I83 HydrophobicContact CG-CD1 3.68Å |
| 75 | I | 88.8 | Confident | 86.3 | Confident | 106 Ų | 106 | 58 Ų | 58 | 54% | 0.544 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 109.5 | 177.6 | -57.8 | 172.6 | 0 | 0 | 0 | 108.5 | I79 | I75-I79 CarbonylContact C-O 3.59Å; I75-I79 WeakPolarHBondContact CA-O 3.18Å |
| 76 | I | 87.6 | Confident | 86 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 115.8 | 177.6 | -56.4 | 178.4 | 0 | 0 | 0 | 107.3 | M28 L33 F36 F37 G78 I79 V81 | M28-I76 HydrophobicContact CE-CB 3.65Å; M28-I76 HydrophobicContact CE-CG2 3.9Å; M28-I76 WeakPolarHBondContact CE-O 3.36Å; M28-I76 HydrophobicContact SD-CB 4.33Å; M28-I76 HydrophobicContact SD-CG2 4.24Å; L33-I76 HydrophobicContact CD2-CD1 3.81Å; F36-I76 HydrophobicContact CD1-CD1 3.68Å; F36-I76 HydrophobicContact CD1-CG1 3.7Å; F36-I76 HydrophobicContact CD2-CG1 4.16Å; F36-I76 HydrophobicContact CE1-CD1 3.93Å; F36-I76 HydrophobicContact CE1-CG1 3.59Å; F36-I76 HydrophobicContact CE2-CG1 4.07Å; F36-I76 HydrophobicContact CG-CD1 4.16Å; F36-I76 HydrophobicContact CG-CG1 3.98Å; F36-I76 HydrophobicContact CZ-CG1 3.79Å; F37-I76 HydrophobicContact CE2-CD1 4.39Å; F37-I76 HydrophobicContact CZ-CD1 4.45Å; I76-G78 PolarHBondContact O-N 3.27Å; I76-G78 VanDerWaalsContact O-N 3.16Å; I76-I79 PolarHBondContact N-O 3.14Å; I76-I79 WeakPolarHBondContact O-CB 3.12Å; I76-I79 PolarHBondContact O-N 3.46Å; I76-V81 HydrophobicContact CD1-CG1 4.2Å; I76-V81 HydrophobicContact CD1-CG2 3.68Å; I76-V81 HydrophobicContact CG1-CG1 4.47Å; I76-V81 HydrophobicContact CG1-CG2 3.92Å |
| 77 | K | 83.9 | Confident | 85.6 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 59% | 0.591 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 30.1 | -179.5 | -57.7 | 171.3 | 74.7 | 159.7 | 0 | 114.3 | E32 | E32-K77 WeakPolarHBondContact OE2-CD 3.11Å; E32-K77 IonicContact OE2-NZ 2.72Å; E32-K77 PolarHBondContact OE2-NZ 3.49Å |
| 78 | G | 86.4 | Confident | 84.6 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 69% | 0.691 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 6.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I76 | I76-G78 PolarHBondContact O-N 3.27Å; I76-G78 VanDerWaalsContact O-N 3.16Å |
| 79 | I | 88.7 | Confident | 83.3 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 24% | 0.241 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.1 | 177.5 | -59.6 | 160.5 | 0 | 0 | 0 | 109.2 | T25 M28 I75 I76 V81 | T25-I79 HydrophobicContact CG2-CD1 3.72Å; T25-I79 HydrophobicContact CG2-CG1 4.44Å; T25-I79 HydrophobicContact CG2-CG2 4.25Å; T25-I79 WeakPolarHBondContact OG1-CD1 3.17Å; M28-I79 HydrophobicContact CE-CB 3.51Å; M28-I79 HydrophobicContact CE-CD1 3.64Å; M28-I79 HydrophobicContact CE-CG1 4.16Å; M28-I79 HydrophobicContact CE-CG2 3.72Å; I75-I79 CarbonylContact C-O 3.59Å; I75-I79 WeakPolarHBondContact CA-O 3.18Å; I76-I79 PolarHBondContact N-O 3.14Å; I76-I79 WeakPolarHBondContact O-CB 3.12Å; I76-I79 PolarHBondContact O-N 3.46Å; I79-V81 PolarHBondContact O-N 3.27Å |
| 80 | S | 89.6 | Confident | 81.6 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 44% | 0.441 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 105.6 | 177.2 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | R23 L74 | R23-S80 WeakPolarHBondContact CB-O 3.32Å; L74-S80 CarbonylContact O-C 3.59Å; L74-S80 WeakPolarHBondContact O-CA 3.27Å |
| 81 | V | 91.1 | Very high | 79.9 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.006 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 147 | 173.8 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | V21 G22 M28 D73 L74 I76 I79 | V21-V81 HydrophobicContact CG1-CB 3.92Å; V21-V81 HydrophobicContact CG1-CG1 4.42Å; V21-V81 HydrophobicContact CG1-CG2 4.14Å; G22-V81 WeakPolarHBondContact O-CA 3.41Å; M28-V81 HydrophobicContact CE-CG1 3.77Å; M28-V81 HydrophobicContact SD-CG1 3.91Å; D73-V81 WeakPolarHBondContact CA-O 3.47Å; L74-V81 HydrophobicContact CB-CG2 3.85Å; L74-V81 PolarHBondContact N-O 3.14Å; L74-V81 WeakPolarHBondContact O-CG2 3.33Å; L74-V81 PolarHBondContact O-N 3.39Å; I76-V81 HydrophobicContact CD1-CG1 4.2Å; I76-V81 HydrophobicContact CD1-CG2 3.68Å; I76-V81 HydrophobicContact CG1-CG1 4.47Å; I76-V81 HydrophobicContact CG1-CG2 3.92Å; I79-V81 PolarHBondContact O-N 3.27Å |
| 82 | H | 89.3 | Confident | 78.3 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 32% | 0.324 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.8 | 177.4 | -179.4 | 65.8 | 0 | 0 | 0 | 110.3 | V21 G22 | V21-H82 CarbonylContact C-O 3.59Å; V21-H82 WeakPolarHBondContact CA-O 3.37Å; G22-H82 PolarHBondContact N-O 3.42Å; G22-H82 PolarHBondContact O-N 2.9Å |
| 83 | I | 90.1 | Very high | 76.4 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.5 | -179 | -56.6 | 175.3 | 0 | 0 | 0 | 109.5 | V19 F20 F37 L69 G71 E72 L74 | V19-I83 HydrophobicContact CB-CG2 3.93Å; V19-I83 HydrophobicContact CG1-CG2 4.26Å; V19-I83 HydrophobicContact CG2-CG2 4.28Å; F20-I83 CarbonylContact O-C 3.49Å; F20-I83 WeakPolarHBondContact O-CA 3.47Å; F37-I83 HydrophobicContact CE1-CD1 3.5Å; F37-I83 VanDerWaalsContact CE1-CD1 3.5Å; F37-I83 HydrophobicContact CZ-CD1 3.78Å; F37-I83 HydrophobicContact CZ-CG1 4.39Å; L69-I83 HydrophobicContact CB-CD1 4.15Å; L69-I83 HydrophobicContact CB-CG2 4.16Å; L69-I83 WeakPolarHBondContact O-CB 3.42Å; L69-I83 WeakPolarHBondContact O-CG2 3.35Å; G71-I83 WeakPolarHBondContact CA-O 3.36Å; G71-I83 PolarHBondContact N-O 3.31Å; E72-I83 PolarHBondContact O-N 3.01Å; E72-I83 VanDerWaalsContact O-N 3.11Å; L74-I83 HydrophobicContact CB-CD1 4.48Å; L74-I83 HydrophobicContact CD1-CD1 3.29Å; L74-I83 HydrophobicContact CG-CD1 3.68Å |
| 84 | S | 86.3 | Confident | 74.5 | Confident | 41 Ų | 41 | 87.4 Ų | 87.4 | 29% | 0.287 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 168.1 | 176.2 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | V19 F20 A86 | V19-S84 WeakPolarHBondContact CA-O 3.48Å; F20-S84 PolarHBondContact N-O 2.86Å; F20-S84 PolarHBondContact O-N 3.35Å; S84-A86 PolarHBondContact O-N 2.72Å |
| 85 | N | 84.1 | Confident | 72.5 | Confident | 100 Ų | 100 | 94 Ų | 94 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 135.6 | 172.3 | -47.8 | 96.1 | 0 | 0 | 0 | 109 | C70 E87 | C70-N85 PolarHBondContact SG-N 3.12Å; C70-N85 VanDerWaalsContact SG-N 3.42Å; C70-N85 PolarHBondContact SG-ND2 2.96Å; C70-N85 VanDerWaalsContact SG-ND2 3.44Å; C70-N85 PolarHBondContact SG-OD1 2.93Å; N85-E87 PolarHBondContact O-N 3Å; N85-E87 VanDerWaalsContact O-N 3.14Å |
| 86 | A | 79.9 | Confident | 70.5 | Confident | 10 Ų | 10 | 94.2 Ų | 94.2 | 8% | 0.083 | 49% | 0.489 | C | S | . | . | trans | -69.5 | 115.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | K18 F57 S84 | K18-A86 HydrophobicContact CB-CB 3.9Å; K18-A86 HydrophobicContact CD-CB 3.93Å; K18-A86 HydrophobicContact CG-CB 3.6Å; K18-A86 VanDerWaalsContact O-CB 3.23Å; K18-A86 WeakPolarHBondContact O-CB 3.28Å; K18-A86 PolarHBondContact O-N 3.5Å; K18-A86 VanDerWaalsContact O-N 3.12Å; F57-A86 HydrophobicContact CD1-CB 3.97Å; F57-A86 HydrophobicContact CE1-CB 4.15Å; S84-A86 PolarHBondContact O-N 2.72Å | ||
| 87 | E | 75.3 | Confident | 68.3 | Low | 149 Ų | 149 | 100.8 Ų | 100.8 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | trans | -61.6 | 128.1 | 170.4 | -68.2 | -170.4 | 105.7 | 0 | 0 | 108.8 | N85 K89 | N85-E87 PolarHBondContact O-N 3Å; N85-E87 VanDerWaalsContact O-N 3.14Å; E87-K89 PolarHBondContact O-N 3.35Å | ||
| 88 | P | 61.6 | Low | 66.4 | Low | 88 Ų | 88 | 104.6 Ų | 104.6 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | trans | -60.3 | 119.1 | 174.6 | 24.7 | -31.2 | 0 | 0 | 0 | 106.6 | H90 | P88-H90 PolarHBondContact O-N 2.71Š| ||
| 89 | K | 59 | Low | 64.5 | Low | 202 Ų | 202 | 105 Ų | 105 | 88% | 0.878 | 52% | 0.522 | S | S | * | . | trans | -65.4 | 89.6 | 171.2 | -158.2 | 177.5 | -172.8 | -175.6 | 0 | 106 | E87 N91 | E87-K89 PolarHBondContact O-N 3.35Å; K89-N91 PolarHBondContact O-N 2.74Å | ||
| 90 | H | 50.4 | Low | 62.2 | Low | 154 Ų | 154 | 106.1 Ų | 106.1 | 71% | 0.713 | 55% | 0.545 | S | S | * | . | trans | -58.3 | 110.8 | 173.6 | -175.4 | 46 | 0 | 0 | 0 | 104.7 | P88 S92 | P88-H90 PolarHBondContact O-N 2.71Å; H90-S92 PolarHBondContact CD2-OG 2.76Å; H90-S92 PolarHBondContact NE2-OG 2.85Å; H90-S92 PolarHBondContact O-N 2.91Å | ||
| 91 | N | 48.4 | Very low | 60.1 | Low | 149 Ų | 149 | 113.8 Ų | 113.8 | 80% | 0.797 | 56% | 0.564 | S | S | * | * | trans | -72 | 66.7 | 173.2 | -166.4 | 30.1 | 0 | 0 | 0 | 107.1 | K89 N93 | K89-N91 PolarHBondContact O-N 2.74Å; N91-N93 PolarHBondContact O-N 2.85Å | ||
| 92 | S | 47.5 | Very low | 57.5 | Low | 74 Ų | 74 | 122.8 Ų | 122.8 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | trans | -68.4 | 83.5 | 160.3 | -52.5 | 0 | 0 | 0 | 0 | 105.2 | H90 R94 | H90-S92 PolarHBondContact CD2-OG 2.76Å; H90-S92 PolarHBondContact NE2-OG 2.85Å; H90-S92 PolarHBondContact O-N 2.91Å; S92-R94 VanDerWaalsContact C-N 3.26Å; S92-R94 PolarHBondContact O-N 3.22Å | ||
| 93 | N | 41.8 | Very low | 55 | Low | 135 Ų | 135 | 123.2 Ų | 123.2 | 72% | 0.722 | 63% | 0.627 | S | S | * | * | trans | -46.2 | 107.6 | 150.1 | -168.4 | 25 | 0 | 0 | 0 | 104.9 | N91 Q95 | N91-N93 PolarHBondContact O-N 2.85Å; N93-Q95 PolarHBondContact O-N 2.8Å | ||
| 94 | R | 48.2 | Very low | 52.6 | Low | 224 Ų | 224 | 126.7 Ų | 126.7 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | trans | -56.5 | 98.8 | 162.4 | -81.6 | -176.4 | -176 | 174.6 | 0.7 | 103.9 | S92 L96 | S92-R94 VanDerWaalsContact C-N 3.26Å; S92-R94 PolarHBondContact O-N 3.22Å; R94-L96 PolarHBondContact O-N 2.79Å | ||
| 95 | Q | 45.4 | Very low | 50.3 | Low | 153 Ų | 153 | 132.5 Ų | 132.5 | 72% | 0.715 | 69% | 0.69 | S | S | * | * | trans | -67.3 | 87.3 | 151.1 | -168.6 | 172.9 | -13.4 | 0 | 0 | 105.3 | N93 E97 | N93-Q95 PolarHBondContact O-N 2.8Å; Q95-E97 PolarHBondContact O-N 2.92Å | ||
| 96 | L | 46.4 | Very low | 48.7 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 59% | 0.586 | 70% | 0.704 | S | S | * | * | trans | -52.2 | 86.1 | 155.1 | -178.2 | 67.2 | 0 | 0 | 0 | 107.4 | R94 R98 | R94-L96 PolarHBondContact O-N 2.79Å; L96-R98 HydrophobicContact CD1-CB 4.44Å; L96-R98 HydrophobicContact CD1-CG 3.67Å; L96-R98 HydrophobicContact CD2-CG 4.18Å; L96-R98 HydrophobicContact CG-CB 4.04Å; L96-R98 HydrophobicContact CG-CG 3.72Å; L96-R98 PolarHBondContact O-N 2.88Å | ||
| 97 | E | 41.9 | Very low | 46.7 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 66% | 0.659 | 73% | 0.731 | S | S | * | * | trans | -69.7 | 75.4 | 154.7 | -77.5 | -86.5 | 112.8 | 0 | 0 | 106.9 | Q95 S99 | Q95-E97 PolarHBondContact O-N 2.92Å; E97-S99 PolarHBondContact O-N 3.18Å; E97-S99 PolarHBondContact OE2-OG 3.13Å; E97-S99 VanDerWaalsContact OE2-OG 3.13Å | ||
| 98 | R | 44 | Very low | 45.7 | Very low | 217 Ų | 217 | 137.1 Ų | 137.1 | 82% | 0.819 | 74% | 0.739 | S | S | * | * | trans | -76.4 | 75.7 | 155 | -95.9 | 179.2 | 173.8 | 172.6 | -7.7 | 106.9 | L96 | L96-R98 HydrophobicContact CD1-CB 4.44Å; L96-R98 HydrophobicContact CD1-CG 3.67Å; L96-R98 HydrophobicContact CD2-CG 4.18Å; L96-R98 HydrophobicContact CG-CB 4.04Å; L96-R98 HydrophobicContact CG-CG 3.72Å; L96-R98 PolarHBondContact O-N 2.88Å | ||
| 99 | S | 44.8 | Very low | 44.9 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 52% | 0.517 | 75% | 0.752 | S | S | . | * | trans | -126.1 | 116.2 | 170.4 | 14.6 | 0 | 0 | 0 | 0 | 105.8 | E97 | E97-S99 PolarHBondContact O-N 3.18Å; E97-S99 PolarHBondContact OE2-OG 3.13Å; E97-S99 VanDerWaalsContact OE2-OG 3.13Å | ||
| 100 | G | 40.1 | Very low | 44.3 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -68 | 168.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 101 | R | 46.1 | Very low | 44 | Very low | 224 Ų | 224 | 137 Ų | 137 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | 73.1 | 139.1 | 155.6 | -50 | -173.5 | 174.3 | -143.1 | -1 | 118.3 | ||||
| 102 | F | 37.3 | Very low | 44.2 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | 85.2 | 113 | 159.1 | -62.9 | -78.1 | 0 | 0 | 0 | 119.5 | ||||
| 103 | G | 37 | Very low | 44.4 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | 97.5 | 91.1 | 120.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 104 | G | 40 | Very low | 44.5 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 55.4 | 106.6 | 131.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 105 | N | 37.4 | Very low | 44.4 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | -175 | 139.2 | 121.2 | -113.5 | -88.6 | 0 | 0 | 0 | 110.9 | |||||
| 106 | P | 50 | Low | 44.6 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | trans | -90.4 | 109.1 | 177.3 | 33.5 | -27.8 | 0 | 0 | 0 | 110.6 | ||||
| 107 | G | 38.2 | Very low | 44.5 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | -143.5 | 88.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 108 | I | 55 | Low | 44.8 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | 33.8 | 103.4 | 144.9 | -52.1 | 173.4 | 0 | 0 | 0 | 116 | ||||
| 109 | L | 43.7 | Very low | 44.7 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | -143.3 | 74.2 | 161.1 | -132.5 | 127.4 | 0 | 0 | 0 | 111.1 | ||||
| 110 | L | 47.4 | Very low | 44.9 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | -119.4 | 90.2 | 159.3 | -76.9 | 172.2 | 0 | 0 | 0 | 107.8 | ||||
| 111 | S | 43.4 | Very low | 45.3 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -167.9 | 60.8 | 148.1 | -136.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 112 | T | 52.4 | Low | 45.3 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | -74.6 | 128.7 | 148.2 | 49.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 113 | C | 51.2 | Low | 45.8 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 131.8 | 1.2 | 146.3 | -61.6 | 0 | 0 | 0 | 0 | 119.4 | ||
| 114 | F | 45.4 | Very low | 46.2 | Very low | 162 Ų | 162 | 134 Ų | 134 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -138.9 | 59.5 | -174.6 | -107.1 | -86.6 | 0 | 0 | 0 | 116.4 | ||||
| 115 | L | 45.5 | Very low | 46.8 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -146.9 | 28.7 | 165.9 | -111.5 | 139 | 0 | 0 | 0 | 114.7 | E118 | L115-E118 HydrophobicContact CD2-CG 4.42Š|
| 116 | I | 49.6 | Very low | 47.3 | Very low | 146 Ų | 146 | 142 Ų | 142 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -112.4 | 19.3 | 163.5 | -32 | 176.9 | 0 | 0 | 0 | 110.7 | ||
| 117 | Q | 44.6 | Very low | 47.3 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 59% | 0.589 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -112.9 | -4.8 | 176.8 | -151 | 144.8 | -20.9 | 0 | 0 | 113.5 | ||
| 118 | E | 47 | Very low | 47.5 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 56% | 0.556 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -86.8 | -9.9 | 179.4 | -67 | -71.4 | 91 | 0 | 0 | 113.3 | L115 | L115-E118 HydrophobicContact CD2-CG 4.42Š|
| 119 | F | 41.6 | Very low | 47.2 | Very low | 177 Ų | 177 | 154.9 Ų | 154.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | H | α-helix | trans | -80.5 | -20.6 | -179.5 | -119.8 | -93 | 0 | 0 | 0 | 113.7 | ||
| 120 | V | 50.8 | Low | 47.4 | Very low | 118 Ų | 118 | 154.5 Ų | 154.5 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | H | α-helix | trans | -78.8 | -22 | 178.8 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 121 | I | 48.8 | Very low | 47.4 | Very low | 123 Ų | 123 | 154 Ų | 154 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | H | α-helix | trans | -87.7 | -22 | -176.4 | -55.4 | 172.5 | 0 | 0 | 0 | 112.1 | ||
| 122 | T | 45.8 | Very low | 47.6 | Very low | 112 Ų | 112 | 156.3 Ų | 156.3 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -82 | -19.8 | -177.8 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 123 | L | 46.7 | Very low | 47.3 | Very low | 152 Ų | 152 | 158.7 Ų | 158.7 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 10.2 | -178.1 | -133.6 | 126.6 | 0 | 0 | 0 | 114.4 | ||
| 124 | H | 46 | Very low | 47 | Very low | 166 Ų | 166 | 161.7 Ų | 161.7 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 14.8 | 170.6 | -139.2 | -15.3 | 0 | 0 | 0 | 113.9 | ||
| 125 | R | 51.7 | Low | 47.1 | Very low | 228 Ų | 228 | 161.6 Ų | 161.6 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -117.7 | 19.5 | 175.2 | -138.6 | -164.7 | -176.2 | -161.9 | 1.5 | 115.2 | ||
| 126 | L | 47.9 | Very low | 47.3 | Very low | 174 Ų | 174 | 162.6 Ų | 162.6 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -127.9 | 32.2 | 172.4 | -144.3 | 81.3 | 0 | 0 | 0 | 113 | ||
| 127 | R | 51.1 | Low | 47.1 | Very low | 225 Ų | 225 | 164 Ų | 164 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | trans | -148 | 77 | 162.9 | -157 | 178.3 | -167.5 | 146.8 | 1.5 | 108.8 | ||||
| 128 | L | 43.1 | Very low | 47.3 | Very low | 248 Ų | 248 | 167.5 Ų | 167.5 | 100% | 1.298 | 80% | 0.804 | S | S | * | * | trans | 173.3 | 0 | 139.7 | -87.8 | 171.5 | 0 | 0 | 0 | 108.5 |
Retrieved 128 of 128 residues in 51 ms
(Link to these results)