| 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 | 59.1 | Low | 92.5 | Very high | 96 Ų | 96 | 69.5 Ų | 69.5 | 47% | 0.473 | 37% | 0.368 | S | S | . | . | 0 | 142 | 0 | -81.6 | 81.8 | -179 | 0 | 0 | 110.3 | Q33 K34 D36 L86 | M1-Q33 WeakPolarHBondContact CB-O 3.47Å; M1-K34 WeakPolarHBondContact CE-O 3.37Å; M1-K34 WeakPolarHBondContact CG-O 3.28Å; M1-K34 HydrophobicContact SD-CB 4.45Å; M1-D36 WeakPolarHBondContact CA-OD1 3.2Å; M1-D36 WeakPolarHBondContact CB-OD1 3.16Å; M1-D36 WeakPolarHBondContact CG-OD1 3.01Å; M1-L86 HydrophobicContact CE-CB 3.06Å; M1-L86 HydrophobicContact CE-CD1 3.14Å; M1-L86 HydrophobicContact CE-CD2 3.9Å; M1-L86 HydrophobicContact CE-CG 3.48Å; M1-L86 VanDerWaalsContact CE-CG 3.48Å | |||
| 2 | G | 86.8 | Confident | 92.8 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | trans | -117.5 | 144.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D36 L37 | G2-D36 PolarHBondContact N-OD1 2.93Å; G2-L37 PolarHBondContact O-N 3.31Å | ||
| 3 | V | 94.3 | Very high | 93 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 117.9 | 157.1 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | L5 R20 V23 E24 L37 | V3-L5 HydrophobicContact CG1-CB 4.37Å; V3-L5 PolarHBondContact O-N 3.18Å; V3-R20 PolarHBondContact O-NH1 2.89Å; V3-R20 PolarHBondContact O-NH2 3.17Å; V3-R20 VanDerWaalsContact O-NH2 3.14Å; V3-V23 HydrophobicContact CG1-CB 4.5Å; V3-V23 HydrophobicContact CG1-CG1 3.91Å; V3-V23 HydrophobicContact CG2-CG1 3.92Å; V3-E24 WeakPolarHBondContact CG2-OE1 3.39Å; V3-L37 WeakPolarHBondContact CA-O 3.44Å |
| 4 | V | 96.6 | Very high | 93.1 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 100.6 | 167.9 | 177.3 | 0 | 0 | 0 | 0 | 107.5 | R6 L37 V39 | V4-R6 HydrophobicContact CG1-CG 4.12Å; V4-L37 PolarHBondContact N-O 3.18Å; V4-V39 PolarHBondContact O-N 3.24Å |
| 5 | L | 97.5 | Very high | 93.3 | Very high | 18 Ų | 18 | 72.3 Ų | 72.3 | 9% | 0.094 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 112.8 | 173.2 | -168 | 161.2 | 0 | 0 | 0 | 109.5 | V3 R16 L19 R20 V39 | V3-L5 HydrophobicContact CG1-CB 4.37Å; V3-L5 PolarHBondContact O-N 3.18Å; L5-R16 HydrophobicContact CD2-CB 4.14Å; L5-R16 HydrophobicContact CD2-CG 4.07Å; L5-L19 HydrophobicContact CD1-CB 4Å; L5-L19 HydrophobicContact CD1-CD2 3.94Å; L5-L19 HydrophobicContact CD1-CG 3.77Å; L5-R20 HydrophobicContact CD1-CB 3.98Å; L5-V39 CarbonylContact C-O 3.56Å; L5-V39 VanDerWaalsContact CA-O 3.3Å; L5-V39 WeakPolarHBondContact CA-O 3.3Å |
| 6 | R | 97.7 | Very high | 93.4 | Very high | 161 Ų | 161 | 77.2 Ų | 77.2 | 61% | 0.608 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.9 | 174.2 | -69.5 | -161.7 | 178.3 | -154.8 | 2.2 | 111.1 | V4 L8 V39 I40 C41 | V4-R6 HydrophobicContact CG1-CG 4.12Å; R6-L8 HydrophobicContact CB-CD2 4.4Å; R6-V39 PolarHBondContact N-O 2.99Å; R6-I40 WeakPolarHBondContact O-CA 3.33Å; R6-C41 PolarHBondContact O-N 3.05Å |
| 7 | N | 97.9 | Very high | 93.5 | Very high | 48 Ų | 48 | 77.5 Ų | 77.5 | 26% | 0.257 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 105.9 | 170 | -173.9 | 30.3 | 0 | 0 | 0 | 109 | Q9 R16 C41 | N7-Q9 PolarHBondContact ND2-NE2 3.06Å; N7-Q9 PolarHBondContact ND2-O 2.82Å; N7-Q9 VanDerWaalsContact OD1-CG 3.28Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.21Å; N7-Q9 PolarHBondContact OD1-NE2 2.77Å; N7-Q9 PolarHBondContact OD1-O 3.34Å; N7-R16 HydrophobicContact CB-CG 4.38Å; N7-C41 HydrophobicContact CB-CB 4.43Å; N7-C41 WeakPolarHBondContact OD1-CB 3.45Å |
| 8 | L | 97.9 | Very high | 93.6 | Very high | 84 Ų | 84 | 76.3 Ų | 76.3 | 44% | 0.44 | 40% | 0.395 | S | S | . | . | trans | -100.1 | 10 | -179.1 | -57.1 | -175.9 | 0 | 0 | 0 | 112.4 | R6 I40 C41 V42 K46 | R6-L8 HydrophobicContact CB-CD2 4.4Å; L8-I40 HydrophobicContact CD1-CG2 3.52Å; L8-I40 HydrophobicContact CG-CG2 3.85Å; L8-C41 PolarHBondContact N-O 2.69Å; L8-V42 HydrophobicContact CB-CG1 4.33Å; L8-K46 PolarHBondContact O-NZ 3.23Å | ||
| 9 | Q | 97.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 72.4 Ų | 72.4 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | trans | -119.9 | 155.6 | 174.8 | 66.2 | 72.4 | 32.1 | 0 | 0 | 111.1 | N7 V12 D43 V95 | N7-Q9 PolarHBondContact ND2-NE2 3.06Å; N7-Q9 PolarHBondContact ND2-O 2.82Å; N7-Q9 VanDerWaalsContact OD1-CG 3.28Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.21Å; N7-Q9 PolarHBondContact OD1-NE2 2.77Å; N7-Q9 PolarHBondContact OD1-O 3.34Å; Q9-V12 PolarHBondContact NE2-O 2.94Å; Q9-V12 PolarHBondContact OE1-O 3.38Å; Q9-D43 HydrophobicContact CB-CB 3.9Å; Q9-V95 HydrophobicContact CG-CB 4.36Å | ||
| 10 | N | 96.1 | Very high | 94 | Very high | 153 Ų | 153 | 73.7 Ų | 73.7 | 82% | 0.818 | 38% | 0.375 | S | S | * | . | trans | -128.3 | 10.4 | 177.2 | 62.1 | -14.8 | 0 | 0 | 0 | 112.7 | ||||
| 11 | V | 96.5 | Very high | 94.1 | Very high | 76 Ų | 76 | 77.3 Ų | 77.3 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -81 | -39.5 | -176.7 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | D43 E96 | V11-D43 HydrophobicContact CG2-CB 4.11Å; V11-E96 HydrophobicContact CG1-CG 3.86Å |
| 12 | V | 96.6 | Very high | 95.9 | Very high | 13 Ų | 13 | 73 Ų | 73 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -119 | 121.5 | -177.8 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | Q9 L14 V95 E96 M99 L109 | Q9-V12 PolarHBondContact NE2-O 2.94Å; Q9-V12 PolarHBondContact OE1-O 3.38Å; V12-L14 PolarHBondContact O-N 2.8Å; V12-V95 HydrophobicContact CB-CG1 3.81Å; V12-V95 HydrophobicContact CG1-CG1 3.92Å; V12-V95 HydrophobicContact CG2-CG1 4.31Å; V12-E96 HydrophobicContact CG2-CB 4.4Å; V12-M99 HydrophobicContact CG1-CB 4.15Å; V12-M99 HydrophobicContact CG1-CG 4.07Å; V12-M99 HydrophobicContact CG1-SD 4.27Å; V12-M99 HydrophobicContact CG2-CB 3.83Å; V12-M99 HydrophobicContact CG2-CG 4.08Å; V12-L109 HydrophobicContact CG1-CD2 3.6Å |
| 13 | P | 95 | Very high | 96.5 | Very high | 121 Ų | 121 | 71.4 Ų | 71.4 | 79% | 0.786 | 35% | 0.35 | S | S | * | . | trans | -58.5 | 126.8 | 173.8 | -24.2 | 34.1 | 0 | 0 | 0 | 111.4 | ||||
| 14 | L | 94.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 74.3 Ų | 74.3 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | trans | -125.8 | 122.1 | -175.8 | -174.7 | 69.7 | 0 | 0 | 0 | 111.8 | V12 R16 L19 C41 L113 | V12-L14 PolarHBondContact O-N 2.8Å; L14-R16 VanDerWaalsContact C-N 3.27Å; L14-R16 HydrophobicContact CD2-CG 4.31Å; L14-R16 HydrophobicContact CG-CG 4.5Å; L14-R16 PolarHBondContact O-N 2.95Å; L14-L19 HydrophobicContact CD2-CD2 4.14Å; L14-C41 HydrophobicContact CD2-CB 4.08Å; L14-C41 WeakPolarHBondContact CD2-SG 3.37Å; L14-L113 HydrophobicContact CD1-CD1 3.36Å | ||
| 15 | R | 95.2 | Very high | 96.6 | Very high | 162 Ų | 162 | 72 Ų | 72 | 61% | 0.611 | 35% | 0.349 | S | S | * | . | trans | -73.3 | 78.7 | 168.8 | -57.6 | 179.1 | 66.5 | -168.9 | 0.1 | 110.9 | A17 R18 L19 | R15-A17 PolarHBondContact O-N 2.86Å; R15-R18 HydrophobicContact CB-CB 4.06Å; R15-R18 WeakPolarHBondContact O-CB 3.34Å; R15-R18 PolarHBondContact O-N 3.14Å; R15-L19 PolarHBondContact O-N 3.44Å | ||
| 16 | R | 95 | Very high | 96.6 | Very high | 150 Ų | 150 | 71.1 Ų | 71.1 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -52.5 | -38.4 | -178.2 | -66.5 | -176 | -67.4 | 174.9 | -1.2 | 113.7 | L5 N7 L14 R18 L19 R20 | L5-R16 HydrophobicContact CD2-CB 4.14Å; L5-R16 HydrophobicContact CD2-CG 4.07Å; N7-R16 HydrophobicContact CB-CG 4.38Å; L14-R16 VanDerWaalsContact C-N 3.27Å; L14-R16 HydrophobicContact CD2-CG 4.31Å; L14-R16 HydrophobicContact CG-CG 4.5Å; L14-R16 PolarHBondContact O-N 2.95Å; R16-R18 VanDerWaalsContact C-N 3.35Å; R16-R18 PolarHBondContact O-N 2.84Å; R16-L19 PolarHBondContact O-N 3.39Å; R16-R20 WeakPolarHBondContact O-CB 3.34Å; R16-R20 PolarHBondContact O-N 3.04Å |
| 17 | A | 95.9 | Very high | 96.6 | Very high | 82 Ų | 82 | 63.6 Ų | 63.6 | 68% | 0.678 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.5 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R15 K21 | R15-A17 PolarHBondContact O-N 2.86Å; A17-K21 PolarHBondContact O-N 2.87Å |
| 18 | R | 95.4 | Very high | 96.5 | Very high | 57 Ų | 57 | 66.7 Ų | 66.7 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -49 | 175.8 | -178.1 | 175.2 | 175.2 | -164.1 | -8.9 | 110.5 | R15 R16 R20 K21 D22 D108 H110 R155 | R15-R18 HydrophobicContact CB-CB 4.06Å; R15-R18 WeakPolarHBondContact O-CB 3.34Å; R15-R18 PolarHBondContact O-N 3.14Å; R16-R18 VanDerWaalsContact C-N 3.35Å; R16-R18 PolarHBondContact O-N 2.84Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 3.35Å; R18-K21 PolarHBondContact O-N 2.98Å; R18-D22 VanDerWaalsContact O-CG 3.28Å; R18-D22 PolarHBondContact O-N 2.79Å; R18-D108 IonicContact CZ-OD2 3.52Å; R18-D108 IonicContact NH1-OD2 3.32Å; R18-D108 IonicContact NH2-OD2 2.99Å; R18-D108 PolarHBondContact NH2-OD2 3.42Å; R18-H110 PolarHBondContact NH1-CD2 3.41Å; R18-R155 VanDerWaalsContact NE-NH2 3.11Å; R18-R155 VanDerWaalsContact NH2-CZ 3.32Å; R18-R155 VanDerWaalsContact NH2-NH1 3.16Å |
| 19 | L | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 177.9 | -178.7 | 58.7 | 0 | 0 | 0 | 111.6 | L5 L14 R15 R16 K21 D22 V23 L93 L113 | L5-L19 HydrophobicContact CD1-CB 4Å; L5-L19 HydrophobicContact CD1-CD2 3.94Å; L5-L19 HydrophobicContact CD1-CG 3.77Å; L14-L19 HydrophobicContact CD2-CD2 4.14Å; R15-L19 PolarHBondContact O-N 3.44Å; R16-L19 PolarHBondContact O-N 3.39Å; L19-K21 PolarHBondContact O-N 3.3Å; L19-D22 PolarHBondContact O-N 3.21Å; L19-V23 HydrophobicContact CD1-CG2 4.19Å; L19-V23 HydrophobicContact CG-CG2 4.33Å; L19-V23 WeakPolarHBondContact O-CG2 3.43Å; L19-V23 PolarHBondContact O-N 3.48Å; L19-L93 HydrophobicContact CD2-CD1 4.23Å; L19-L113 HydrophobicContact CD1-CB 4.15Å |
| 20 | R | 97.4 | Very high | 96.3 | Very high | 99 Ų | 99 | 64.1 Ų | 64.1 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 174.9 | 179.6 | 175.1 | -75.3 | -83.7 | 0.7 | 111.4 | V3 L5 R16 R18 D22 V23 E24 | V3-R20 PolarHBondContact O-NH1 2.89Å; V3-R20 PolarHBondContact O-NH2 3.17Å; V3-R20 VanDerWaalsContact O-NH2 3.14Å; L5-R20 HydrophobicContact CD1-CB 3.98Å; R16-R20 WeakPolarHBondContact O-CB 3.34Å; R16-R20 PolarHBondContact O-N 3.04Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 3.35Å; R20-D22 VanDerWaalsContact C-N 3.31Å; R20-D22 PolarHBondContact O-N 3.05Å; R20-V23 PolarHBondContact O-N 3.44Å; R20-E24 WeakPolarHBondContact O-CG 3.34Å; R20-E24 PolarHBondContact O-N 3.18Å |
| 21 | K | 96.9 | Very high | 96.3 | Very high | 150 Ų | 150 | 58.4 Ų | 58.4 | 65% | 0.652 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.6 | -43.6 | 177.9 | -174.8 | 177.9 | 179.9 | 179.3 | 0 | 111.4 | A17 R18 L19 E24 T25 | A17-K21 PolarHBondContact O-N 2.87Å; R18-K21 PolarHBondContact O-N 2.98Å; L19-K21 PolarHBondContact O-N 3.3Å; K21-E24 PolarHBondContact O-N 3.44Å; K21-T25 PolarHBondContact O-N 3.17Å; K21-T25 PolarHBondContact O-OG1 2.99Å; K21-T25 VanDerWaalsContact O-OG1 3.05Å |
| 22 | D | 97.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 179.4 | -65.6 | -14.7 | 0 | 0 | 0 | 110.6 | R18 L19 R20 E24 T25 L26 T114 F149 R155 | R18-D22 VanDerWaalsContact O-CG 3.28Å; R18-D22 PolarHBondContact O-N 2.79Å; L19-D22 PolarHBondContact O-N 3.21Å; R20-D22 VanDerWaalsContact C-N 3.31Å; R20-D22 PolarHBondContact O-N 3.05Å; D22-E24 PolarHBondContact O-N 2.8Å; D22-T25 PolarHBondContact O-N 3.37Å; D22-L26 WeakPolarHBondContact O-CG 3.43Å; D22-L26 PolarHBondContact O-N 2.93Å; D22-T114 HydrophobicContact CB-CG2 4.03Å; D22-T114 PolarHBondContact OD2-OG1 3.44Å; D22-F149 HydrophobicContact CB-CE2 4.04Å; D22-F149 HydrophobicContact CB-CZ 3.94Å; D22-R155 IonicContact OD1-CZ 3.23Å; D22-R155 IonicContact OD1-NH1 3.76Å; D22-R155 IonicContact OD1-NH2 3.79Å; D22-R155 PolarHBondContact OD1-NH2 2.89Å; D22-R155 IonicContact OD2-CZ 3.79Å; D22-R155 VanDerWaalsContact OD2-CZ 3.32Å; D22-R155 IonicContact OD2-NH1 2.64Å; D22-R155 PolarHBondContact OD2-NH1 3.23Å; D22-R155 IonicContact OD2-NH2 2.83Å; D22-R155 PolarHBondContact OD2-NH2 3.19Å |
| 23 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | V3 L19 R20 T25 L26 R27 L37 V39 T117 | V3-V23 HydrophobicContact CG1-CB 4.5Å; V3-V23 HydrophobicContact CG1-CG1 3.91Å; V3-V23 HydrophobicContact CG2-CG1 3.92Å; L19-V23 HydrophobicContact CD1-CG2 4.19Å; L19-V23 HydrophobicContact CG-CG2 4.33Å; L19-V23 WeakPolarHBondContact O-CG2 3.43Å; L19-V23 PolarHBondContact O-N 3.48Å; R20-V23 PolarHBondContact O-N 3.44Å; V23-T25 VanDerWaalsContact C-N 3.33Å; V23-T25 PolarHBondContact O-N 2.82Å; V23-L26 PolarHBondContact O-N 2.87Å; V23-R27 HydrophobicContact CG1-CG 4.43Å; V23-R27 WeakPolarHBondContact O-CG 3.45Å; V23-R27 PolarHBondContact O-N 3.06Å; V23-L37 HydrophobicContact CG1-CD2 3.79Å; V23-V39 HydrophobicContact CG1-CG2 4.31Å; V23-V39 HydrophobicContact CG2-CG2 4.38Å; V23-T117 HydrophobicContact CG2-CG2 3.87Å |
| 24 | E | 97.1 | Very high | 96 | Very high | 68 Ų | 68 | 57 Ų | 57 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 178.3 | -67.1 | -65.8 | 178.4 | 0 | 0 | 111.9 | V3 R20 K21 D22 R27 H28 | V3-E24 WeakPolarHBondContact CG2-OE1 3.39Å; R20-E24 WeakPolarHBondContact O-CG 3.34Å; R20-E24 PolarHBondContact O-N 3.18Å; K21-E24 PolarHBondContact O-N 3.44Å; D22-E24 PolarHBondContact O-N 2.8Å; E24-R27 PolarHBondContact O-N 3.35Å; E24-R27 IonicContact OE1-NH1 3.74Å; E24-R27 IonicContact OE2-CZ 3.86Å; E24-R27 IonicContact OE2-NH1 3.83Å; E24-R27 PolarHBondContact OE2-NH1 2.81Å; E24-H28 WeakPolarHBondContact O-CB 3.47Å; E24-H28 PolarHBondContact O-N 3.18Å |
| 25 | T | 97.4 | Very high | 96 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 18% | 0.184 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 173.8 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | K21 D22 V23 R27 H28 I29 F149 F152 | K21-T25 PolarHBondContact O-N 3.17Å; K21-T25 PolarHBondContact O-OG1 2.99Å; K21-T25 VanDerWaalsContact O-OG1 3.05Å; D22-T25 PolarHBondContact O-N 3.37Å; V23-T25 VanDerWaalsContact C-N 3.33Å; V23-T25 PolarHBondContact O-N 2.82Å; T25-R27 VanDerWaalsContact C-N 3.35Å; T25-R27 PolarHBondContact O-N 2.87Å; T25-H28 WeakPolarHBondContact O-CB 3.3Å; T25-H28 PolarHBondContact O-N 2.8Å; T25-H28 VanDerWaalsContact O-N 3.14Å; T25-I29 HydrophobicContact CG2-CD1 3.92Å; T25-I29 WeakPolarHBondContact O-CG1 3.44Å; T25-I29 PolarHBondContact O-N 3.03Å; T25-F149 HydrophobicContact CG2-CD2 3.66Å; T25-F149 HydrophobicContact CG2-CE2 3.86Å; T25-F152 HydrophobicContact CG2-CB 4.39Å |
| 26 | L | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 176.1 | -67.7 | 171.8 | 0 | 0 | 0 | 111.5 | D22 V23 H28 I29 L30 T114 T117 A118 I121 I145 F149 | D22-L26 WeakPolarHBondContact O-CG 3.43Å; D22-L26 PolarHBondContact O-N 2.93Å; V23-L26 PolarHBondContact O-N 2.87Å; L26-H28 VanDerWaalsContact C-N 3.25Å; L26-H28 PolarHBondContact O-N 2.75Å; L26-I29 PolarHBondContact O-N 2.94Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.5Å; L26-L30 PolarHBondContact O-N 3.32Å; L26-T114 HydrophobicContact CD1-CG2 4.08Å; L26-T117 HydrophobicContact CD1-CG2 4.27Å; L26-A118 HydrophobicContact CD1-CB 4.03Å; L26-A118 HydrophobicContact CD2-CB 3.97Å; L26-I121 HydrophobicContact CB-CD1 4.18Å; L26-I121 HydrophobicContact CD1-CD1 4.45Å; L26-I145 HydrophobicContact CD2-CG2 3.51Å; L26-F149 HydrophobicContact CD2-CB 4.34Å; L26-F149 HydrophobicContact CD2-CD2 3.73Å; L26-F149 HydrophobicContact CD2-CE2 4.44Å; L26-F149 HydrophobicContact CD2-CG 4.27Å; L26-F149 HydrophobicContact CG-CD2 4.06Å; L26-F149 HydrophobicContact CG-CE2 4.36Å |
| 27 | R | 96.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -36.8 | 175.6 | -70.8 | 172.8 | 74.2 | -135.1 | 3.4 | 112.1 | V23 E24 T25 G31 I32 Q33 F35 L37 | V23-R27 HydrophobicContact CG1-CG 4.43Å; V23-R27 WeakPolarHBondContact O-CG 3.45Å; V23-R27 PolarHBondContact O-N 3.06Å; E24-R27 PolarHBondContact O-N 3.35Å; E24-R27 IonicContact OE1-NH1 3.74Å; E24-R27 IonicContact OE2-CZ 3.86Å; E24-R27 IonicContact OE2-NH1 3.83Å; E24-R27 PolarHBondContact OE2-NH1 2.81Å; T25-R27 VanDerWaalsContact C-N 3.35Å; T25-R27 PolarHBondContact O-N 2.87Å; R27-G31 PolarHBondContact O-N 3.14Å; R27-G31 VanDerWaalsContact O-N 3.15Å; R27-I32 HydrophobicContact CB-CD1 4.38Å; R27-I32 HydrophobicContact CB-CG1 3.9Å; R27-I32 HydrophobicContact CG-CD1 4.01Å; R27-I32 HydrophobicContact CG-CG1 4.02Å; R27-I32 WeakPolarHBondContact O-CG1 3.49Å; R27-I32 PolarHBondContact O-N 2.8Å; R27-Q33 PolarHBondContact NH2-O 3.42Å; R27-F35 PolarHBondContact NH2-O 3.48Å; R27-L37 HydrophobicContact CG-CD2 4.19Å |
| 28 | H | 96.3 | Very high | 96.3 | Very high | 113 Ų | 113 | 40.4 Ų | 40.4 | 52% | 0.523 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.8 | -50.4 | 177.3 | -175.6 | 89.4 | 0 | 0 | 0 | 112.1 | E24 T25 L26 L30 G31 Q33 | E24-H28 WeakPolarHBondContact O-CB 3.47Å; E24-H28 PolarHBondContact O-N 3.18Å; T25-H28 WeakPolarHBondContact O-CB 3.3Å; T25-H28 PolarHBondContact O-N 2.8Å; T25-H28 VanDerWaalsContact O-N 3.14Å; L26-H28 VanDerWaalsContact C-N 3.25Å; L26-H28 PolarHBondContact O-N 2.75Å; H28-L30 PolarHBondContact O-N 2.81Å; H28-G31 PolarHBondContact O-N 2.83Å; H28-G31 VanDerWaalsContact O-N 3.12Å; H28-Q33 HydrophobicContact CB-CG 4.41Å; H28-Q33 PolarHBondContact ND1-NE2 3.33Å; H28-Q33 PolarHBondContact O-NE2 3.13Å |
| 29 | I | 96.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 11% | 0.108 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.8 | -37.5 | 177.4 | -68.1 | 161.7 | 0 | 0 | 0 | 111.2 | T25 L26 Y144 I145 E148 F149 F152 | T25-I29 HydrophobicContact CG2-CD1 3.92Å; T25-I29 WeakPolarHBondContact O-CG1 3.44Å; T25-I29 PolarHBondContact O-N 3.03Å; L26-I29 PolarHBondContact O-N 2.94Å; I29-Y144 HydrophobicContact CG2-CE1 4.31Å; I29-I145 HydrophobicContact CG2-CG2 4.32Å; I29-E148 HydrophobicContact CD1-CB 4.09Å; I29-E148 HydrophobicContact CG1-CB 4.19Å; I29-E148 HydrophobicContact CG2-CB 3.7Å; I29-E148 HydrophobicContact CG2-CG 4.3Å; I29-F149 HydrophobicContact CD1-CB 3.8Å; I29-F149 HydrophobicContact CD1-CD2 4.32Å; I29-F152 HydrophobicContact CD1-CD2 4.05Å; I29-F152 HydrophobicContact CG1-CD2 4.01Å; I29-F152 HydrophobicContact CG1-CE2 4Å |
| 30 | L | 94.8 | Very high | 96.5 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -8.3 | -178 | -77.9 | 172.7 | 0 | 0 | 0 | 115 | L26 H28 I32 I121 L125 I145 | L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.5Å; L26-L30 PolarHBondContact O-N 3.32Å; H28-L30 PolarHBondContact O-N 2.81Å; L30-I32 VanDerWaalsContact C-N 3.3Å; L30-I32 HydrophobicContact CB-CD1 4.04Å; L30-I32 HydrophobicContact CB-CG1 3.82Å; L30-I32 HydrophobicContact CB-CG2 4.28Å; L30-I32 HydrophobicContact CD1-CD1 4.04Å; L30-I32 PolarHBondContact O-N 3.01Å; L30-I121 HydrophobicContact CD1-CB 4.33Å; L30-I121 HydrophobicContact CD1-CG2 3.45Å; L30-I121 VanDerWaalsContact CD1-CG2 3.45Å; L30-L125 HydrophobicContact CD1-CD1 4.25Å; L30-L125 HydrophobicContact CD2-CD1 4.27Å; L30-I145 HydrophobicContact CD1-CD1 4.01Å; L30-I145 HydrophobicContact CD1-CG1 4.4Å; L30-I145 HydrophobicContact CD2-CD1 3.62Å; L30-I145 HydrophobicContact CD2-CG1 3.58Å; L30-I145 HydrophobicContact CG-CD1 4.11Å; L30-I145 HydrophobicContact CG-CG1 4.03Å; L30-I145 HydrophobicContact CG-CG2 4.48Å |
| 31 | G | 94.8 | Very high | 96.6 | Very high | 33 Ų | 33 | 33.7 Ų | 33.7 | 34% | 0.34 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 27.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | R27 H28 Q33 | R27-G31 PolarHBondContact O-N 3.14Å; R27-G31 VanDerWaalsContact O-N 3.15Å; H28-G31 PolarHBondContact O-N 2.83Å; H28-G31 VanDerWaalsContact O-N 3.12Å; G31-Q33 VanDerWaalsContact CA-OE1 3.26Å |
| 32 | I | 94.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -111.5 | 19.3 | -175.6 | 60.3 | 170.5 | 0 | 0 | 0 | 113 | R27 L30 K34 F35 L77 L88 I121 L125 | R27-I32 HydrophobicContact CB-CD1 4.38Å; R27-I32 HydrophobicContact CB-CG1 3.9Å; R27-I32 HydrophobicContact CG-CD1 4.01Å; R27-I32 HydrophobicContact CG-CG1 4.02Å; R27-I32 WeakPolarHBondContact O-CG1 3.49Å; R27-I32 PolarHBondContact O-N 2.8Å; L30-I32 VanDerWaalsContact C-N 3.3Å; L30-I32 HydrophobicContact CB-CD1 4.04Å; L30-I32 HydrophobicContact CB-CG1 3.82Å; L30-I32 HydrophobicContact CB-CG2 4.28Å; L30-I32 HydrophobicContact CD1-CD1 4.04Å; L30-I32 PolarHBondContact O-N 3.01Å; I32-K34 PolarHBondContact O-N 3.47Å; I32-K34 VanDerWaalsContact O-N 3.09Å; I32-F35 HydrophobicContact CB-CD2 4.08Å; I32-F35 HydrophobicContact CG2-CD2 4.34Å; I32-F35 PolarHBondContact O-N 2.89Å; I32-L77 HydrophobicContact CG2-CD2 3.67Å; I32-L88 HydrophobicContact CB-CD1 3.97Å; I32-L88 HydrophobicContact CD1-CD1 3.51Å; I32-L88 HydrophobicContact CG1-CD1 4.24Å; I32-L88 HydrophobicContact CG2-CD1 4.28Å; I32-I121 HydrophobicContact CD1-CG2 3.63Å; I32-L125 HydrophobicContact CG2-CD2 4.24Å | ||
| 33 | Q | 94.3 | Very high | 96.7 | Very high | 79 Ų | 79 | 27.3 Ų | 27.3 | 37% | 0.369 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.7 | -178.7 | -48.8 | 91.2 | -35.8 | 0 | 0 | 112.4 | M1 R27 H28 G31 F35 | M1-Q33 WeakPolarHBondContact CB-O 3.47Å; R27-Q33 PolarHBondContact NH2-O 3.42Å; H28-Q33 HydrophobicContact CB-CG 4.41Å; H28-Q33 PolarHBondContact ND1-NE2 3.33Å; H28-Q33 PolarHBondContact O-NE2 3.13Å; G31-Q33 VanDerWaalsContact CA-OE1 3.26Å; Q33-F35 VanDerWaalsContact C-N 3.32Å |
| 34 | K | 92.9 | Very high | 96.8 | Very high | 102 Ų | 102 | 28.1 Ų | 28.1 | 44% | 0.443 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.8 | 175.6 | 73.2 | 170.2 | -176.1 | 173.2 | 0 | 114.3 | M1 I32 L86 | M1-K34 WeakPolarHBondContact CE-O 3.37Å; M1-K34 WeakPolarHBondContact CG-O 3.28Å; M1-K34 HydrophobicContact SD-CB 4.45Å; I32-K34 PolarHBondContact O-N 3.47Å; I32-K34 VanDerWaalsContact O-N 3.09Å; K34-L86 HydrophobicContact CD-CD2 4.23Å; K34-L86 HydrophobicContact CG-CD2 4.31Å; K34-L86 WeakPolarHBondContact O-CD2 3.25Å |
| 35 | F | 95.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -115.8 | 139.1 | 176.7 | -65 | -90 | 0 | 0 | 0 | 111.1 | R27 I32 Q33 Y69 P78 P80 L86 L88 | R27-F35 PolarHBondContact NH2-O 3.48Å; I32-F35 HydrophobicContact CB-CD2 4.08Å; I32-F35 HydrophobicContact CG2-CD2 4.34Å; I32-F35 PolarHBondContact O-N 2.89Å; Q33-F35 VanDerWaalsContact C-N 3.32Å; F35-Y69 HydrophobicContact CE1-CE2 4.24Å; F35-P78 HydrophobicContact CE1-CB 3.76Å; F35-P78 HydrophobicContact CE1-CG 3.86Å; F35-P78 HydrophobicContact CZ-CB 3.83Å; F35-P78 HydrophobicContact CZ-CG 3.88Å; F35-P80 HydrophobicContact CE1-CG 4.15Å; F35-L86 CarbonylContact C-O 3.54Å; F35-L86 WeakPolarHBondContact CA-O 3.49Å; F35-L86 HydrophobicContact CD1-CB 4.44Å; F35-L86 HydrophobicContact CD1-CD2 4.27Å; F35-L86 HydrophobicContact CE1-CD2 4.13Å; F35-L88 HydrophobicContact CB-CD1 3.96Å; F35-L88 HydrophobicContact CB-CD2 4.41Å; F35-L88 HydrophobicContact CB-CG 3.6Å; F35-L88 HydrophobicContact CD1-CD2 4.34Å; F35-L88 HydrophobicContact CD1-CG 4.33Å; F35-L88 HydrophobicContact CG-CD1 4.44Å; F35-L88 HydrophobicContact CG-CD2 4.22Å; F35-L88 HydrophobicContact CG-CG 3.94Å |
| 36 | D | 96.2 | Very high | 96.9 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 34% | 0.342 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 144.6 | 169.9 | -68 | -29.7 | 0 | 0 | 0 | 110.2 | M1 G2 L86 N87 L88 | M1-D36 WeakPolarHBondContact CA-OD1 3.2Å; M1-D36 WeakPolarHBondContact CB-OD1 3.16Å; M1-D36 WeakPolarHBondContact CG-OD1 3.01Å; G2-D36 PolarHBondContact N-OD1 2.93Å; D36-L86 PolarHBondContact N-O 3.46Å; D36-N87 PolarHBondContact O-OD1 3.49Å; D36-L88 PolarHBondContact O-N 3.3Å |
| 37 | L | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 123.7 | -178.2 | 176.8 | 64.6 | 0 | 0 | 0 | 109.8 | G2 V3 V4 V23 R27 V39 L88 I91 I121 L124 | G2-L37 PolarHBondContact O-N 3.31Å; V3-L37 WeakPolarHBondContact CA-O 3.44Å; V4-L37 PolarHBondContact N-O 3.18Å; V23-L37 HydrophobicContact CG1-CD2 3.79Å; R27-L37 HydrophobicContact CG-CD2 4.19Å; L37-V39 HydrophobicContact CD2-CG2 4.25Å; L37-V39 HydrophobicContact CG-CG2 4.15Å; L37-L88 HydrophobicContact CD1-CB 4.5Å; L37-I91 HydrophobicContact CD1-CD1 4.04Å; L37-I91 HydrophobicContact CD1-CG1 4.3Å; L37-I121 HydrophobicContact CD2-CD1 3.95Å; L37-I121 HydrophobicContact CD2-CG1 4.02Å; L37-L124 HydrophobicContact CD1-CD1 3.32Å |
| 38 | G | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | G89 D90 I91 | G38-G89 PolarHBondContact N-O 3.14Å; G38-D90 WeakPolarHBondContact CA-OD1 3.31Å; G38-D90 CarbonylContact O-C 3.59Å; G38-I91 PolarHBondContact O-N 3.01Å |
| 39 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 113.2 | 171.1 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | V4 L5 R6 V23 L37 I91 L93 T117 | V4-V39 PolarHBondContact O-N 3.24Å; L5-V39 CarbonylContact C-O 3.56Å; L5-V39 VanDerWaalsContact CA-O 3.3Å; L5-V39 WeakPolarHBondContact CA-O 3.3Å; R6-V39 PolarHBondContact N-O 2.99Å; V23-V39 HydrophobicContact CG1-CG2 4.31Å; V23-V39 HydrophobicContact CG2-CG2 4.38Å; L37-V39 HydrophobicContact CD2-CG2 4.25Å; L37-V39 HydrophobicContact CG-CG2 4.15Å; V39-I91 CarbonylContact C-O 3.6Å; V39-I91 WeakPolarHBondContact CA-O 3.42Å; V39-L93 HydrophobicContact CG1-CD1 3.62Å; V39-L93 HydrophobicContact CG1-CG 4.22Å; V39-T117 HydrophobicContact CG2-CG2 4.47Å |
| 40 | I | 98.6 | Very high | 97.2 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 112.3 | -171.8 | -54.9 | 89.8 | 0 | 0 | 0 | 109.4 | R6 L8 V42 D90 I91 F92 L93 | R6-I40 WeakPolarHBondContact O-CA 3.33Å; L8-I40 HydrophobicContact CD1-CG2 3.52Å; L8-I40 HydrophobicContact CG-CG2 3.85Å; I40-V42 HydrophobicContact CG2-CG1 4.04Å; I40-D90 HydrophobicContact CD1-CB 4.1Å; I40-I91 PolarHBondContact N-O 3.43Å; I40-F92 HydrophobicContact CB-CD1 3.88Å; I40-F92 HydrophobicContact CB-CE1 3.95Å; I40-F92 HydrophobicContact CB-CG 4.4Å; I40-F92 HydrophobicContact CB-CZ 4.5Å; I40-F92 HydrophobicContact CD1-CE1 4.48Å; I40-F92 HydrophobicContact CD1-CE2 4.21Å; I40-F92 HydrophobicContact CD1-CZ 4.19Å; I40-F92 HydrophobicContact CG1-CE1 4.32Å; I40-F92 HydrophobicContact CG1-CZ 4.44Å; I40-F92 HydrophobicContact CG2-CD1 4.01Å; I40-F92 HydrophobicContact CG2-CE1 3.9Å; I40-F92 CarbonylContact O-C 3.6Å; I40-F92 WeakPolarHBondContact O-CA 3.36Å; I40-L93 PolarHBondContact O-N 3.48Å |
| 41 | C | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.9 | 174.9 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | R6 N7 L8 L14 V95 | R6-C41 PolarHBondContact O-N 3.05Å; N7-C41 HydrophobicContact CB-CB 4.43Å; N7-C41 WeakPolarHBondContact OD1-CB 3.45Å; L8-C41 PolarHBondContact N-O 2.69Å; L14-C41 HydrophobicContact CD2-CB 4.08Å; L14-C41 WeakPolarHBondContact CD2-SG 3.37Å; C41-V95 HydrophobicContact CB-CG2 3.53Å |
| 42 | V | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 160.9 | -175.4 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | L8 I40 K46 I47 F92 L93 V95 | L8-V42 HydrophobicContact CB-CG1 4.33Å; I40-V42 HydrophobicContact CG2-CG1 4.04Å; V42-K46 HydrophobicContact CB-CB 3.9Å; V42-K46 HydrophobicContact CB-CD 4.42Å; V42-K46 HydrophobicContact CG1-CB 4.13Å; V42-K46 HydrophobicContact CG1-CD 4.12Å; V42-I47 HydrophobicContact CG2-CB 3.71Å; V42-I47 HydrophobicContact CG2-CD1 3.97Å; V42-I47 HydrophobicContact CG2-CG1 4.16Å; V42-F92 HydrophobicContact CG1-CD1 4.11Å; V42-F92 HydrophobicContact CG2-CB 4.48Å; V42-L93 VanDerWaalsContact CG2-O 3.3Å; V42-L93 WeakPolarHBondContact CG2-O 3.37Å; V42-L93 PolarHBondContact N-O 2.68Å; V42-V95 PolarHBondContact O-N 2.82Å |
| 43 | D | 98.4 | Very high | 97.7 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | trans | -84.8 | 173.8 | 173.5 | 57.1 | 49.6 | 0 | 0 | 0 | 111.2 | Q9 V11 R45 K46 I47 | Q9-D43 HydrophobicContact CB-CB 3.9Å; V11-D43 HydrophobicContact CG2-CB 4.11Å; D43-R45 VanDerWaalsContact C-N 3.31Å; D43-R45 PolarHBondContact O-N 2.97Å; D43-R45 WeakPolarHBondContact OD1-CB 3.5Å; D43-R45 PolarHBondContact OD1-N 3.39Å; D43-K46 PolarHBondContact O-N 3.44Å; D43-K46 WeakPolarHBondContact OD1-CB 3.13Å; D43-K46 WeakPolarHBondContact OD1-CG 3.25Å; D43-K46 PolarHBondContact OD1-N 2.67Å; D43-K46 IonicContact OD2-NZ 2.69Å; D43-K46 PolarHBondContact OD2-NZ 3.26Å; D43-I47 PolarHBondContact O-N 3.17Å | ||
| 44 | N | 98.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -40.1 | -178.4 | -79.6 | -21.2 | 0 | 0 | 0 | 112.8 | K46 Q48 P60 E96 Y97 K100 | N44-K46 PolarHBondContact O-N 3.07Å; N44-Q48 WeakPolarHBondContact O-CB 3.41Å; N44-Q48 PolarHBondContact O-N 2.93Å; N44-P60 HydrophobicContact CB-CB 4.09Å; N44-E96 WeakPolarHBondContact CB-OE2 3.49Å; N44-E96 PolarHBondContact N-OE2 2.66Å; N44-E96 VanDerWaalsContact N-OE2 3.14Å; N44-E96 WeakPolarHBondContact ND2-CG 3.39Å; N44-E96 PolarHBondContact ND2-OE1 3.03Å; N44-E96 PolarHBondContact ND2-OE2 3.17Å; N44-Y97 WeakPolarHBondContact OD1-CA 3.44Å; N44-Y97 VanDerWaalsContact OD1-CB 3.25Å; N44-Y97 WeakPolarHBondContact OD1-CB 3.09Å; N44-Y97 PolarHBondContact OD1-N 2.94Å; N44-K100 PolarHBondContact ND2-NZ 3Å |
| 45 | R | 98.3 | Very high | 97.9 | Very high | 212 Ų | 212 | 53.8 Ų | 53.8 | 80% | 0.8 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.3 | -46.1 | -179.1 | -177.5 | -177.2 | 175.2 | -168.6 | -0.2 | 111 | D43 R49 | D43-R45 VanDerWaalsContact C-N 3.31Å; D43-R45 PolarHBondContact O-N 2.97Å; D43-R45 WeakPolarHBondContact OD1-CB 3.5Å; D43-R45 PolarHBondContact OD1-N 3.39Å; R45-R49 WeakPolarHBondContact O-CB 3.4Å; R45-R49 PolarHBondContact O-N 3.35Å; R45-R49 VanDerWaalsContact O-N 3.14Å |
| 46 | K | 98.4 | Very high | 98 | Very high | 82 Ų | 82 | 61.8 Ų | 61.8 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.2 | -49.2 | 179.2 | -72.4 | -175.1 | -168.8 | 92.8 | 0 | 111.2 | L8 V42 D43 N44 Q48 R49 I50 | L8-K46 PolarHBondContact O-NZ 3.23Å; V42-K46 HydrophobicContact CB-CB 3.9Å; V42-K46 HydrophobicContact CB-CD 4.42Å; V42-K46 HydrophobicContact CG1-CB 4.13Å; V42-K46 HydrophobicContact CG1-CD 4.12Å; D43-K46 PolarHBondContact O-N 3.44Å; D43-K46 WeakPolarHBondContact OD1-CB 3.13Å; D43-K46 WeakPolarHBondContact OD1-CG 3.25Å; D43-K46 PolarHBondContact OD1-N 2.67Å; D43-K46 IonicContact OD2-NZ 2.69Å; D43-K46 PolarHBondContact OD2-NZ 3.26Å; N44-K46 PolarHBondContact O-N 3.07Å; K46-Q48 PolarHBondContact O-N 3.32Å; K46-R49 WeakPolarHBondContact O-CB 3.5Å; K46-R49 PolarHBondContact O-N 2.83Å; K46-I50 VanDerWaalsContact O-CG1 3.3Å; K46-I50 WeakPolarHBondContact O-CG1 3.38Å; K46-I50 PolarHBondContact O-N 3.49Å |
| 47 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.6 | -36.3 | -177.3 | -157.7 | 155.8 | 0 | 0 | 0 | 112.5 | V42 D43 R49 I50 N51 P60 T61 L64 F92 G94 | V42-I47 HydrophobicContact CG2-CB 3.71Å; V42-I47 HydrophobicContact CG2-CD1 3.97Å; V42-I47 HydrophobicContact CG2-CG1 4.16Å; D43-I47 PolarHBondContact O-N 3.17Å; I47-R49 VanDerWaalsContact C-N 3.34Å; I47-R49 PolarHBondContact O-N 3.46Å; I47-I50 PolarHBondContact O-N 3.29Å; I47-N51 VanDerWaalsContact O-CB 3.28Å; I47-N51 WeakPolarHBondContact O-CB 3.33Å; I47-N51 PolarHBondContact O-N 2.92Å; I47-P60 HydrophobicContact CG2-CB 4.08Å; I47-T61 HydrophobicContact CD1-CG2 4.13Å; I47-T61 WeakPolarHBondContact CD1-O 3.29Å; I47-T61 HydrophobicContact CG1-CG2 4.07Å; I47-L64 HydrophobicContact CG1-CD1 4.02Å; I47-L64 HydrophobicContact CG1-CG 4.41Å; I47-F92 HydrophobicContact CD1-CB 4.49Å; I47-G94 VanDerWaalsContact CD1-CA 3.49Å |
| 48 | Q | 98.6 | Very high | 98 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 172.6 | 178.5 | 174 | 17.9 | 0 | 0 | 111.6 | N44 K46 N51 N52 N58 P60 | N44-Q48 WeakPolarHBondContact O-CB 3.41Å; N44-Q48 PolarHBondContact O-N 2.93Å; K46-Q48 PolarHBondContact O-N 3.32Å; Q48-N51 PolarHBondContact O-N 3.26Å; Q48-N52 WeakPolarHBondContact O-CB 3.3Å; Q48-N52 PolarHBondContact O-N 2.83Å; Q48-N58 PolarHBondContact NE2-O 3.38Å; Q48-N58 PolarHBondContact NE2-OD1 2.93Å; Q48-P60 HydrophobicContact CB-CB 4.41Å |
| 49 | R | 98.5 | Very high | 97.9 | Very high | 183 Ų | 183 | 74.7 Ų | 74.7 | 69% | 0.691 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.8 | -46.3 | 176 | -178.5 | 179.6 | 179.1 | 179 | 0.8 | 111.3 | R45 K46 I47 N52 I53 | R45-R49 WeakPolarHBondContact O-CB 3.4Å; R45-R49 PolarHBondContact O-N 3.35Å; R45-R49 VanDerWaalsContact O-N 3.14Å; K46-R49 WeakPolarHBondContact O-CB 3.5Å; K46-R49 PolarHBondContact O-N 2.83Å; I47-R49 VanDerWaalsContact C-N 3.34Å; I47-R49 PolarHBondContact O-N 3.46Å; R49-N52 PolarHBondContact O-N 3.08Å; R49-I53 HydrophobicContact CG-CD1 3.92Å; R49-I53 VanDerWaalsContact O-CG1 3.28Å; R49-I53 WeakPolarHBondContact O-CG1 3.5Å; R49-I53 PolarHBondContact O-N 3.48Å |
| 50 | I | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 76.2 Ų | 76.2 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 178.5 | -61.4 | 165.7 | 0 | 0 | 0 | 109.7 | K46 I47 N52 I53 Y54 L64 F66 F92 | K46-I50 VanDerWaalsContact O-CG1 3.3Å; K46-I50 WeakPolarHBondContact O-CG1 3.38Å; K46-I50 PolarHBondContact O-N 3.49Å; I47-I50 PolarHBondContact O-N 3.29Å; I50-N52 VanDerWaalsContact C-N 3.29Å; I50-N52 PolarHBondContact O-N 3.15Å; I50-I53 PolarHBondContact O-N 2.82Å; I50-I53 VanDerWaalsContact O-N 3.17Å; I50-Y54 HydrophobicContact CG2-CD2 3.7Å; I50-Y54 HydrophobicContact CG2-CE2 4.07Å; I50-Y54 WeakPolarHBondContact O-CD2 3.38Å; I50-Y54 PolarHBondContact O-N 3.48Å; I50-L64 HydrophobicContact CB-CD1 3.94Å; I50-L64 HydrophobicContact CG2-CD1 3.54Å; I50-F66 HydrophobicContact CG2-CE2 4Å; I50-F66 HydrophobicContact CG2-CZ 3.61Å; I50-F92 HydrophobicContact CD1-CD1 3.57Å; I50-F92 HydrophobicContact CD1-CE1 3.77Å; I50-F92 HydrophobicContact CD1-CG 4.19Å |
| 51 | N | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.6 | -41 | 178.1 | -158.8 | 15.6 | 0 | 0 | 0 | 111.8 | I47 Q48 R55 K56 K57 M59 L64 | I47-N51 VanDerWaalsContact O-CB 3.28Å; I47-N51 WeakPolarHBondContact O-CB 3.33Å; I47-N51 PolarHBondContact O-N 2.92Å; Q48-N51 PolarHBondContact O-N 3.26Å; N51-R55 CarbonylContact O-C 3.43Å; N51-R55 VanDerWaalsContact O-CA 3.29Å; N51-R55 WeakPolarHBondContact O-CA 3.43Å; N51-R55 VanDerWaalsContact O-CB 3.32Å; N51-R55 WeakPolarHBondContact O-CB 3.49Å; N51-R55 PolarHBondContact O-N 3Å; N51-R55 WeakPolarHBondContact OD1-CB 3.35Å; N51-K56 PolarHBondContact O-N 3.04Å; N51-K57 CarbonylContact C-O 3.29Å; N51-K57 VanDerWaalsContact C-O 3.29Å; N51-K57 WeakPolarHBondContact CB-O 3.48Å; N51-K57 PolarHBondContact O-N 3Å; N51-M59 PolarHBondContact ND2-O 3.4Å; N51-L64 HydrophobicContact CB-CD1 4Å |
| 52 | N | 98.2 | Very high | 97.7 | Very high | 67 Ų | 67 | 79.3 Ų | 79.3 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 176.6 | -170.3 | 33.3 | 0 | 0 | 0 | 112.2 | Q48 R49 I50 K56 K57 N58 | Q48-N52 WeakPolarHBondContact O-CB 3.3Å; Q48-N52 PolarHBondContact O-N 2.83Å; R49-N52 PolarHBondContact O-N 3.08Å; I50-N52 VanDerWaalsContact C-N 3.29Å; I50-N52 PolarHBondContact O-N 3.15Å; N52-K56 VanDerWaalsContact O-CA 3.24Å; N52-K56 WeakPolarHBondContact O-CA 3.3Å; N52-K56 PolarHBondContact O-N 3.13Å; N52-K56 VanDerWaalsContact O-N 3.16Å; N52-K57 WeakPolarHBondContact CA-O 3.34Å; N52-K57 PolarHBondContact N-O 3.18Å; N52-K57 VanDerWaalsContact N-O 3.12Å; N52-N58 HydrophobicContact CB-CB 4.48Å |
| 53 | I | 98.3 | Very high | 97.7 | Very high | 82 Ų | 82 | 79.8 Ų | 79.8 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -51.5 | -179.1 | -69.8 | 165.8 | 0 | 0 | 0 | 110.7 | R49 I50 K56 | R49-I53 HydrophobicContact CG-CD1 3.92Å; R49-I53 VanDerWaalsContact O-CG1 3.28Å; R49-I53 WeakPolarHBondContact O-CG1 3.5Å; R49-I53 PolarHBondContact O-N 3.48Å; I50-I53 PolarHBondContact O-N 2.82Å; I50-I53 VanDerWaalsContact O-N 3.17Å; I53-K56 PolarHBondContact O-NZ 3.37Å |
| 54 | Y | 96.9 | Very high | 97.7 | Very high | 150 Ų | 150 | 79.4 Ų | 79.4 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -95.9 | -26 | -167.6 | -68 | -82.8 | 0 | 0 | 0 | 114.6 | I50 F66 | I50-Y54 HydrophobicContact CG2-CD2 3.7Å; I50-Y54 HydrophobicContact CG2-CE2 4.07Å; I50-Y54 WeakPolarHBondContact O-CD2 3.38Å; I50-Y54 PolarHBondContact O-N 3.48Å; Y54-F66 AromaticContact CD1-CE1 3.72Å; Y54-F66 HydrophobicContact CD1-CE1 3.72Å; Y54-F66 AromaticContact CD2-CE1 3.83Å; Y54-F66 HydrophobicContact CD2-CE1 3.83Å; Y54-F66 AromaticContact CD2-CZ 3.85Å; Y54-F66 HydrophobicContact CD2-CZ 3.85Å; Y54-F66 HydrophobicContact CE1-CE1 4.1Å; Y54-F66 HydrophobicContact CE2-CE1 4.23Å; Y54-F66 HydrophobicContact CE2-CZ 4.3Å; Y54-F66 AromaticContact CG-CE1 3.57Å; Y54-F66 HydrophobicContact CG-CE1 3.57Å; Y54-F66 AromaticContact CG-CZ 3.99Å; Y54-F66 HydrophobicContact CG-CZ 3.99Å |
| 55 | R | 94.7 | Very high | 97.7 | Very high | 135 Ų | 135 | 78.9 Ų | 78.9 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -119.5 | 0.2 | -178.7 | -54.9 | -65 | -175.2 | 168.7 | -1.2 | 113.6 | N51 K57 L64 | N51-R55 CarbonylContact O-C 3.43Å; N51-R55 VanDerWaalsContact O-CA 3.29Å; N51-R55 WeakPolarHBondContact O-CA 3.43Å; N51-R55 VanDerWaalsContact O-CB 3.32Å; N51-R55 WeakPolarHBondContact O-CB 3.49Å; N51-R55 PolarHBondContact O-N 3Å; N51-R55 WeakPolarHBondContact OD1-CB 3.35Å; R55-K57 HydrophobicContact CB-CG 4.47Å; R55-K57 PolarHBondContact O-N 2.98Å; R55-K57 VanDerWaalsContact O-N 3.15Å; R55-L64 HydrophobicContact CG-CD2 4.08Å |
| 56 | K | 97.5 | Very high | 97.6 | Very high | 167 Ų | 167 | 71 Ų | 71 | 73% | 0.726 | 32% | 0.324 | S | S | * | . | trans | 56 | 25.3 | -175.4 | -51.1 | -52.7 | -177.4 | -158.5 | 0 | 113.7 | N51 N52 I53 | N51-K56 PolarHBondContact O-N 3.04Å; N52-K56 VanDerWaalsContact O-CA 3.24Å; N52-K56 WeakPolarHBondContact O-CA 3.3Å; N52-K56 PolarHBondContact O-N 3.13Å; N52-K56 VanDerWaalsContact O-N 3.16Å; I53-K56 PolarHBondContact O-NZ 3.37Å | ||
| 57 | K | 96.2 | Very high | 97.6 | Very high | 129 Ų | 129 | 69.4 Ų | 69.4 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | trans | -107.9 | 107.3 | 177.5 | -70.2 | -178.6 | -178.6 | -176.2 | 0 | 109.6 | N51 N52 R55 M59 | N51-K57 CarbonylContact C-O 3.29Å; N51-K57 VanDerWaalsContact C-O 3.29Å; N51-K57 WeakPolarHBondContact CB-O 3.48Å; N51-K57 PolarHBondContact O-N 3Å; N52-K57 WeakPolarHBondContact CA-O 3.34Å; N52-K57 PolarHBondContact N-O 3.18Å; N52-K57 VanDerWaalsContact N-O 3.12Å; R55-K57 HydrophobicContact CB-CG 4.47Å; R55-K57 PolarHBondContact O-N 2.98Å; R55-K57 VanDerWaalsContact O-N 3.15Å; K57-M59 HydrophobicContact CB-CG 4.43Å; K57-M59 PolarHBondContact O-N 3.34Å | ||
| 58 | N | 97.3 | Very high | 97.4 | Very high | 108 Ų | 108 | 74 Ų | 74 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | trans | -83 | 53.1 | -179.8 | -170.2 | 25.8 | 0 | 0 | 0 | 112.8 | Q48 N52 | Q48-N58 PolarHBondContact NE2-O 3.38Å; Q48-N58 PolarHBondContact NE2-OD1 2.93Å; N52-N58 HydrophobicContact CB-CB 4.48Å | ||
| 59 | M | 97.4 | Very high | 97.2 | Very high | 105 Ų | 105 | 73.3 Ų | 73.3 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -144.1 | 150.5 | 177.2 | 62.7 | -169 | -66.4 | 0 | 0 | 110.8 | N51 K57 | N51-M59 PolarHBondContact ND2-O 3.4Å; K57-M59 HydrophobicContact CB-CG 4.43Å; K57-M59 PolarHBondContact O-N 3.34Å |
| 60 | P | 97.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 72 Ų | 72 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | trans | -63.6 | 154.2 | 171.6 | 29 | -35.1 | 0 | 0 | 0 | 110.6 | N44 I47 Q48 Y97 | N44-P60 HydrophobicContact CB-CB 4.09Å; I47-P60 HydrophobicContact CG2-CB 4.08Å; Q48-P60 HydrophobicContact CB-CB 4.41Å; P60-Y97 HydrophobicContact CB-CD2 3.92Å; P60-Y97 HydrophobicContact CG-CD2 3.95Å; P60-Y97 HydrophobicContact CG-CE2 4.36Å | ||
| 61 | T | 96.9 | Very high | 96.2 | Very high | 31 Ų | 31 | 79.4 Ų | 79.4 | 19% | 0.19 | 37% | 0.373 | C | S | . | . | trans | -140.8 | 167.9 | 177.4 | -163.5 | 0 | 0 | 0 | 0 | 109.2 | I47 V63 L64 | I47-T61 HydrophobicContact CD1-CG2 4.13Å; I47-T61 WeakPolarHBondContact CD1-O 3.29Å; I47-T61 HydrophobicContact CG1-CG2 4.07Å; T61-V63 WeakPolarHBondContact CG2-O 3.13Å; T61-L64 HydrophobicContact CG2-CD1 4.36Å; T61-L64 HydrophobicContact CG2-CD2 3.96Å; T61-L64 HydrophobicContact CG2-CG 3.82Å | ||
| 62 | D | 97.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 80.3 Ų | 80.3 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -69.8 | -44.8 | 175.6 | 51.3 | -4.6 | 0 | 0 | 0 | 113.6 | G94 Y97 L98 | D62-G94 PolarHBondContact O-N 3.14Å; D62-Y97 HydrophobicContact CB-CD1 4.08Å; D62-Y97 HydrophobicContact CB-CE1 4.29Å; D62-L98 HydrophobicContact CB-CD2 3.49Å; D62-L98 VanDerWaalsContact CB-CD2 3.49Å; D62-L98 HydrophobicContact CB-CG 4.04Å |
| 63 | V | 97.9 | Very high | 95.6 | Very high | 12 Ų | 12 | 85.7 Ų | 85.7 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 148.3 | -175.3 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | T61 I91 F92 L93 V116 | T61-V63 WeakPolarHBondContact CG2-O 3.13Å; V63-I91 HydrophobicContact CG2-CG2 3.53Å; V63-F92 CarbonylContact C-O 3.58Å; V63-F92 VanDerWaalsContact CA-O 3.25Å; V63-F92 WeakPolarHBondContact CA-O 3.48Å; V63-L93 HydrophobicContact CB-CD2 4.46Å; V63-L93 HydrophobicContact CG2-CD2 4.06Å; V63-V116 HydrophobicContact CB-CG1 3.44Å; V63-V116 VanDerWaalsContact CB-CG1 3.44Å; V63-V116 HydrophobicContact CG1-CG1 3.81Å; V63-V116 HydrophobicContact CG2-CG1 3.96Å |
| 64 | L | 98.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 84 Ų | 84 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 124.8 | 164.8 | -65.6 | 171.3 | 0 | 0 | 0 | 108.9 | I47 I50 N51 R55 T61 F66 F92 | I47-L64 HydrophobicContact CG1-CD1 4.02Å; I47-L64 HydrophobicContact CG1-CG 4.41Å; I50-L64 HydrophobicContact CB-CD1 3.94Å; I50-L64 HydrophobicContact CG2-CD1 3.54Å; N51-L64 HydrophobicContact CB-CD1 4Å; R55-L64 HydrophobicContact CG-CD2 4.08Å; T61-L64 HydrophobicContact CG2-CD1 4.36Å; T61-L64 HydrophobicContact CG2-CD2 3.96Å; T61-L64 HydrophobicContact CG2-CG 3.82Å; L64-F66 HydrophobicContact CB-CE2 3.76Å; L64-F66 HydrophobicContact CB-CZ 4.19Å; L64-F92 HydrophobicContact CB-CB 4.4Å; L64-F92 PolarHBondContact N-O 3.24Å; L64-F92 PolarHBondContact O-N 3.04Å |
| 65 | S | 98 | Very high | 94.8 | Very high | 7 Ų | 7 | 79.9 Ų | 79.9 | 5% | 0.049 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.5 | 175.3 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | D90 G120 | S65-D90 WeakPolarHBondContact CA-O 2.98Å; S65-G120 WeakPolarHBondContact OG-CA 3.43Å; S65-G120 PolarHBondContact OG-O 2.91Å |
| 66 | F | 97.8 | Very high | 94.5 | Very high | 46 Ų | 46 | 79.7 Ų | 79.7 | 20% | 0.202 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 93 | 178.6 | -63.6 | -85.1 | 0 | 0 | 0 | 108.7 | I50 Y54 L64 G89 D90 F92 L124 | I50-F66 HydrophobicContact CG2-CE2 4Å; I50-F66 HydrophobicContact CG2-CZ 3.61Å; Y54-F66 AromaticContact CD1-CE1 3.72Å; Y54-F66 HydrophobicContact CD1-CE1 3.72Å; Y54-F66 AromaticContact CD2-CE1 3.83Å; Y54-F66 HydrophobicContact CD2-CE1 3.83Å; Y54-F66 AromaticContact CD2-CZ 3.85Å; Y54-F66 HydrophobicContact CD2-CZ 3.85Å; Y54-F66 HydrophobicContact CE1-CE1 4.1Å; Y54-F66 HydrophobicContact CE2-CE1 4.23Å; Y54-F66 HydrophobicContact CE2-CZ 4.3Å; Y54-F66 AromaticContact CG-CE1 3.57Å; Y54-F66 HydrophobicContact CG-CE1 3.57Å; Y54-F66 AromaticContact CG-CZ 3.99Å; Y54-F66 HydrophobicContact CG-CZ 3.99Å; L64-F66 HydrophobicContact CB-CE2 3.76Å; L64-F66 HydrophobicContact CB-CZ 4.19Å; F66-G89 VanDerWaalsContact O-CA 3.3Å; F66-G89 WeakPolarHBondContact O-CA 3.34Å; F66-D90 HydrophobicContact CB-CB 4.46Å; F66-D90 PolarHBondContact N-O 3.42Å; F66-D90 PolarHBondContact O-N 2.87Å; F66-F92 AromaticContact CD2-CD2 3.64Å; F66-F92 HydrophobicContact CD2-CD2 3.64Å; F66-F92 AromaticContact CD2-CE2 3.82Å; F66-F92 HydrophobicContact CD2-CE2 3.82Å; F66-F92 AromaticContact CE2-CD2 3.54Å; F66-F92 HydrophobicContact CE2-CD2 3.54Å; F66-F92 AromaticContact CE2-CE2 3.9Å; F66-F92 HydrophobicContact CE2-CE2 3.9Å; F66-F92 HydrophobicContact CE2-CG 4.43Å; F66-L124 VanDerWaalsContact C-CD2 3.43Å; F66-L124 WeakPolarHBondContact O-CD2 3.36Å |
| 67 | P | 96.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 75.3 Ų | 75.3 | 31% | 0.312 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 139.3 | -178.8 | 26.9 | -33.1 | 0 | 0 | 0 | 111.1 | L124 | P67-L124 HydrophobicContact CB-CD2 4.25Å |
| 68 | F | 95.7 | Very high | 93.7 | Very high | 98 Ų | 98 | 69.4 Ų | 69.4 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -72.2 | -34.7 | 165.8 | -175.2 | -93 | 0 | 0 | 0 | 111.2 | N87 L88 | F68-N87 VanDerWaalsContact CB-O 3.26Å; F68-N87 WeakPolarHBondContact CB-O 3.37Å; F68-N87 WeakPolarHBondContact CD1-O 3.44Å; F68-N87 HydrophobicContact CD2-CB 4.08Å; F68-N87 HydrophobicContact CE2-CB 4.44Å; F68-N87 HydrophobicContact CG-CB 4.12Å; F68-N87 WeakPolarHBondContact CG-O 3.37Å; F68-L88 PolarHBondContact N-O 2.81Å |
| 69 | Y | 93.6 | Very high | 93.2 | Very high | 43 Ų | 43 | 69.8 Ų | 69.8 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | trans | -104 | 94.5 | 177.7 | -60.4 | -81.9 | 0 | 0 | 0 | 110.7 | F35 E71 P78 E85 N87 | F35-Y69 HydrophobicContact CE1-CE2 4.24Å; Y69-E71 VanDerWaalsContact C-N 3.35Å; Y69-E71 PolarHBondContact O-N 3.38Å; Y69-P78 HydrophobicContact CD1-CB 4.24Å; Y69-P78 HydrophobicContact CD2-CB 3.83Å; Y69-P78 HydrophobicContact CD2-CG 3.44Å; Y69-P78 VanDerWaalsContact CD2-CG 3.44Å; Y69-P78 HydrophobicContact CE1-CB 3.82Å; Y69-P78 HydrophobicContact CE2-CB 3.33Å; Y69-P78 HydrophobicContact CE2-CG 3.3Å; Y69-P78 HydrophobicContact CG-CB 4.22Å; Y69-P78 HydrophobicContact CG-CG 4.08Å; Y69-P78 WeakPolarHBondContact OH-CB 3.11Å; Y69-E85 PolarHBondContact OH-O 3.33Å; Y69-N87 WeakPolarHBondContact CE2-O 3.5Å | ||
| 70 | E | 88.1 | Confident | 92.6 | Very high | 156 Ų | 156 | 66.2 Ų | 66.2 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -31.8 | -174 | -63 | -172 | 173 | 0 | 0 | 114.1 | ||
| 71 | E | 88.1 | Confident | 92.1 | Very high | 184 Ų | 184 | 71.3 Ų | 71.3 | 86% | 0.86 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 15.4 | -175.8 | -60.2 | -173 | -174.7 | 0 | 0 | 113.7 | Y69 R73 | Y69-E71 VanDerWaalsContact C-N 3.35Å; Y69-E71 PolarHBondContact O-N 3.38Å; E71-R73 PolarHBondContact O-N 3.23Å |
| 72 | L | 92.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 77 Ų | 77 | 14% | 0.141 | 39% | 0.39 | C | S | . | . | trans | -64.7 | 131.3 | 177.5 | -172.8 | 64.8 | 0 | 0 | 0 | 110.1 | K76 P78 L125 G126 | L72-K76 HydrophobicContact CD1-CB 4.41Å; L72-P78 HydrophobicContact CD1-CG 4.24Å; L72-P78 HydrophobicContact CD2-CG 3.93Å; L72-L125 HydrophobicContact CD2-CD2 4.31Å; L72-G126 VanDerWaalsContact O-CA 3.3Å; L72-G126 WeakPolarHBondContact O-CA 3.48Å | ||
| 73 | R | 90.6 | Very high | 91 | Very high | 179 Ų | 179 | 84.9 Ų | 84.9 | 68% | 0.675 | 42% | 0.416 | S | S | * | . | trans | -90.6 | 143.6 | 176.3 | -69.8 | -169.1 | -116.8 | -159 | -3.4 | 111.3 | E71 K76 | E71-R73 PolarHBondContact O-N 3.23Å; R73-K76 PolarHBondContact O-N 3.14Å | ||
| 74 | P | 91 | Very high | 90.3 | Very high | 47 Ų | 47 | 90.3 Ų | 90.3 | 31% | 0.305 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 140.8 | 171.8 | -29.8 | 35.5 | 0 | 0 | 0 | 112.9 | K76 G126 Y127 | P74-K76 PolarHBondContact O-N 2.98Å; P74-G126 WeakPolarHBondContact CD-O 3.13Å; P74-G126 WeakPolarHBondContact CG-O 3.13Å; P74-Y127 HydrophobicContact CB-CD1 3.87Å; P74-Y127 HydrophobicContact CB-CD2 4.5Å; P74-Y127 HydrophobicContact CB-CE1 3.71Å; P74-Y127 HydrophobicContact CB-CE2 4.36Å; P74-Y127 HydrophobicContact CB-CG 4.28Å; P74-Y127 HydrophobicContact CG-CD1 4.32Å; P74-Y127 HydrophobicContact CG-CG 4.48Å |
| 75 | G | 88.4 | Confident | 89.9 | Confident | 63 Ų | 63 | 92.3 Ų | 92.3 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | -5.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y127 | G75-Y127 PolarHBondContact N-OH 3.36Š|
| 76 | K | 89.3 | Confident | 89.6 | Confident | 131 Ų | 131 | 93.4 Ų | 93.4 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -103.6 | 138 | 171.8 | -64 | -171.2 | 178.4 | -175.3 | 0 | 110.5 | L72 R73 P74 | L72-K76 HydrophobicContact CD1-CB 4.41Å; R73-K76 PolarHBondContact O-N 3.14Å; P74-K76 PolarHBondContact O-N 2.98Å |
| 77 | L | 88.7 | Confident | 89.5 | Confident | 75 Ų | 75 | 93.5 Ų | 93.5 | 39% | 0.393 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 148.7 | 166.1 | -68.2 | -178.4 | 0 | 0 | 0 | 109.5 | I32 L125 | I32-L77 HydrophobicContact CG2-CD2 3.67Å; L77-L125 HydrophobicContact CD2-CD2 4.05Å |
| 78 | P | 87.5 | Confident | 89.5 | Confident | 6 Ų | 6 | 91.2 Ų | 91.2 | 4% | 0.039 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 144.8 | 172.5 | -18.2 | 27.3 | 0 | 0 | 0 | 112 | F35 Y69 L72 P80 L88 | F35-P78 HydrophobicContact CE1-CB 3.76Å; F35-P78 HydrophobicContact CE1-CG 3.86Å; F35-P78 HydrophobicContact CZ-CB 3.83Å; F35-P78 HydrophobicContact CZ-CG 3.88Å; Y69-P78 HydrophobicContact CD1-CB 4.24Å; Y69-P78 HydrophobicContact CD2-CB 3.83Å; Y69-P78 HydrophobicContact CD2-CG 3.44Å; Y69-P78 VanDerWaalsContact CD2-CG 3.44Å; Y69-P78 HydrophobicContact CE1-CB 3.82Å; Y69-P78 HydrophobicContact CE2-CB 3.33Å; Y69-P78 HydrophobicContact CE2-CG 3.3Å; Y69-P78 HydrophobicContact CG-CB 4.22Å; Y69-P78 HydrophobicContact CG-CG 4.08Å; Y69-P78 WeakPolarHBondContact OH-CB 3.11Å; L72-P78 HydrophobicContact CD1-CG 4.24Å; L72-P78 HydrophobicContact CD2-CG 3.93Å; P78-P80 WeakPolarHBondContact O-CD 3.3Å; P78-L88 HydrophobicContact CG-CD2 4.23Å |
| 79 | C | 86.3 | Confident | 89.5 | Confident | 116 Ų | 116 | 86.7 Ų | 86.7 | 78% | 0.784 | 43% | 0.428 | S | S | * | . | trans | -111.9 | 76.5 | 174.4 | -68.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 80 | P | 85.8 | Confident | 89.8 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 20% | 0.195 | 44% | 0.438 | C | S | . | . | trans | -67.9 | 141.2 | -178.4 | 25.1 | -31.3 | 0 | 0 | 0 | 111.3 | F35 P78 E85 L86 | F35-P80 HydrophobicContact CE1-CG 4.15Å; P78-P80 WeakPolarHBondContact O-CD 3.3Å; P80-E85 WeakPolarHBondContact CA-OE2 3.08Å; P80-E85 HydrophobicContact CB-CB 3.55Å; P80-L86 HydrophobicContact CB-CD2 4.31Å; P80-L86 HydrophobicContact CB-CG 4.17Å; P80-L86 HydrophobicContact CG-CD2 3.34Å; P80-L86 HydrophobicContact CG-CG 3.72Å | ||
| 81 | I | 86 | Confident | 90.3 | Very high | 138 Ų | 138 | 80.5 Ų | 80.5 | 71% | 0.708 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -90.6 | -36.9 | 174.9 | -58.5 | 174.4 | 0 | 0 | 0 | 109.5 | E85 | I81-E85 PolarHBondContact N-OE2 2.99Š|
| 82 | Y | 87.9 | Confident | 90.8 | Very high | 152 Ų | 152 | 73.7 Ų | 73.7 | 60% | 0.596 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -113 | 162.9 | -178 | -55.1 | -72.9 | 0 | 0 | 0 | 112.2 | D84 E85 | Y82-D84 WeakPolarHBondContact CB-OD1 3.43Å; Y82-E85 WeakPolarHBondContact CD2-OE1 3.49Å; Y82-E85 PolarHBondContact O-N 2.72Å |
| 83 | R | 83.1 | Confident | 91.1 | Very high | 213 Ų | 213 | 72.4 Ų | 72.4 | 80% | 0.804 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -72.2 | -35.5 | -174 | -173.4 | 179.1 | 178.9 | -174 | 0.3 | 112.8 | E85 L86 | R83-E85 PolarHBondContact O-N 3.14Å; R83-L86 HydrophobicContact CG-CD1 4.22Å; R83-L86 WeakPolarHBondContact O-CB 3.38Å; R83-L86 PolarHBondContact O-N 3Å; R83-L86 VanDerWaalsContact O-N 3.17Å |
| 84 | D | 84.5 | Confident | 91.5 | Very high | 127 Ų | 127 | 63.9 Ų | 63.9 | 68% | 0.679 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.3 | 176.8 | 56.7 | -30.4 | 0 | 0 | 0 | 113.1 | Y82 L86 | Y82-D84 WeakPolarHBondContact CB-OD1 3.43Å; D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 3.37Å |
| 85 | E | 88.6 | Confident | 91.8 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -11.9 | 171.1 | -64 | 177.5 | -176 | 0 | 0 | 113 | Y69 P80 I81 Y82 R83 N87 | Y69-E85 PolarHBondContact OH-O 3.33Å; P80-E85 WeakPolarHBondContact CA-OE2 3.08Å; P80-E85 HydrophobicContact CB-CB 3.55Å; I81-E85 PolarHBondContact N-OE2 2.99Å; Y82-E85 WeakPolarHBondContact CD2-OE1 3.49Å; Y82-E85 PolarHBondContact O-N 2.72Å; R83-E85 PolarHBondContact O-N 3.14Å; E85-N87 PolarHBondContact O-N 3.26Å |
| 86 | L | 92.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | trans | -76.4 | 58.3 | 179.9 | -69.3 | 149.1 | 0 | 0 | 0 | 112.1 | M1 K34 F35 D36 P80 R83 D84 | M1-L86 HydrophobicContact CE-CB 3.06Å; M1-L86 HydrophobicContact CE-CD1 3.14Å; M1-L86 HydrophobicContact CE-CD2 3.9Å; M1-L86 HydrophobicContact CE-CG 3.48Å; M1-L86 VanDerWaalsContact CE-CG 3.48Å; K34-L86 HydrophobicContact CD-CD2 4.23Å; K34-L86 HydrophobicContact CG-CD2 4.31Å; K34-L86 WeakPolarHBondContact O-CD2 3.25Å; F35-L86 CarbonylContact C-O 3.54Å; F35-L86 WeakPolarHBondContact CA-O 3.49Å; F35-L86 HydrophobicContact CD1-CB 4.44Å; F35-L86 HydrophobicContact CD1-CD2 4.27Å; F35-L86 HydrophobicContact CE1-CD2 4.13Å; D36-L86 PolarHBondContact N-O 3.46Å; P80-L86 HydrophobicContact CB-CD2 4.31Å; P80-L86 HydrophobicContact CB-CG 4.17Å; P80-L86 HydrophobicContact CG-CD2 3.34Å; P80-L86 HydrophobicContact CG-CG 3.72Å; R83-L86 HydrophobicContact CG-CD1 4.22Å; R83-L86 WeakPolarHBondContact O-CB 3.38Å; R83-L86 PolarHBondContact O-N 3Å; R83-L86 VanDerWaalsContact O-N 3.17Å; D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 3.37Å | ||
| 87 | N | 95 | Very high | 92.6 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 130.3 | -179.4 | -173.9 | -6.3 | 0 | 0 | 0 | 109.3 | D36 F68 Y69 E85 G89 | D36-N87 PolarHBondContact O-OD1 3.49Å; F68-N87 VanDerWaalsContact CB-O 3.26Å; F68-N87 WeakPolarHBondContact CB-O 3.37Å; F68-N87 WeakPolarHBondContact CD1-O 3.44Å; F68-N87 HydrophobicContact CD2-CB 4.08Å; F68-N87 HydrophobicContact CE2-CB 4.44Å; F68-N87 HydrophobicContact CG-CB 4.12Å; F68-N87 WeakPolarHBondContact CG-O 3.37Å; Y69-N87 WeakPolarHBondContact CE2-O 3.5Å; E85-N87 PolarHBondContact O-N 3.26Å; N87-G89 WeakPolarHBondContact OD1-CA 3.25Å; N87-G89 PolarHBondContact OD1-N 2.98Å |
| 88 | L | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -22.5 | 174.1 | -76.4 | 174.9 | 0 | 0 | 0 | 113.2 | I32 F35 D36 L37 F68 P78 L124 L125 | I32-L88 HydrophobicContact CB-CD1 3.97Å; I32-L88 HydrophobicContact CD1-CD1 3.51Å; I32-L88 HydrophobicContact CG1-CD1 4.24Å; I32-L88 HydrophobicContact CG2-CD1 4.28Å; F35-L88 HydrophobicContact CB-CD1 3.96Å; F35-L88 HydrophobicContact CB-CD2 4.41Å; F35-L88 HydrophobicContact CB-CG 3.6Å; F35-L88 HydrophobicContact CD1-CD2 4.34Å; F35-L88 HydrophobicContact CD1-CG 4.33Å; F35-L88 HydrophobicContact CG-CD1 4.44Å; F35-L88 HydrophobicContact CG-CD2 4.22Å; F35-L88 HydrophobicContact CG-CG 3.94Å; D36-L88 PolarHBondContact O-N 3.3Å; L37-L88 HydrophobicContact CD1-CB 4.5Å; F68-L88 PolarHBondContact N-O 2.81Å; P78-L88 HydrophobicContact CG-CD2 4.23Å; L88-L124 HydrophobicContact CB-CB 4.37Å; L88-L124 HydrophobicContact CB-CD1 4.11Å; L88-L125 HydrophobicContact CD1-CD2 4.48Å; L88-L125 HydrophobicContact CD2-CD2 3.79Å |
| 89 | G | 97.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 112 | -157.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G38 F66 N87 | G38-G89 PolarHBondContact N-O 3.14Å; F66-G89 VanDerWaalsContact O-CA 3.3Å; F66-G89 WeakPolarHBondContact O-CA 3.34Å; N87-G89 WeakPolarHBondContact OD1-CA 3.25Å; N87-G89 PolarHBondContact OD1-N 2.98Å |
| 90 | D | 98.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 55.7 Ų | 55.7 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.1 | -166.8 | -66.6 | -56.3 | 0 | 0 | 0 | 112.7 | G38 I40 S65 F66 F92 | G38-D90 WeakPolarHBondContact CA-OD1 3.31Å; G38-D90 CarbonylContact O-C 3.59Å; I40-D90 HydrophobicContact CD1-CB 4.1Å; S65-D90 WeakPolarHBondContact CA-O 2.98Å; F66-D90 HydrophobicContact CB-CB 4.46Å; F66-D90 PolarHBondContact N-O 3.42Å; F66-D90 PolarHBondContact O-N 2.87Å; D90-F92 HydrophobicContact CB-CE2 4.03Å |
| 91 | I | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120 | 174.5 | -54.6 | 175.8 | 0 | 0 | 0 | 108.7 | L37 G38 V39 I40 V63 L93 T117 I121 L124 | L37-I91 HydrophobicContact CD1-CD1 4.04Å; L37-I91 HydrophobicContact CD1-CG1 4.3Å; G38-I91 PolarHBondContact O-N 3.01Å; V39-I91 CarbonylContact C-O 3.6Å; V39-I91 WeakPolarHBondContact CA-O 3.42Å; I40-I91 PolarHBondContact N-O 3.43Å; V63-I91 HydrophobicContact CG2-CG2 3.53Å; I91-L93 HydrophobicContact CG2-CD2 3.79Å; I91-L93 HydrophobicContact CG2-CG 4.3Å; I91-T117 HydrophobicContact CD1-CG2 4.38Å; I91-I121 HydrophobicContact CD1-CB 4.5Å; I91-I121 HydrophobicContact CD1-CG1 3.66Å; I91-L124 HydrophobicContact CD1-CD1 3.94Å; I91-L124 HydrophobicContact CG1-CD1 3.73Å; I91-L124 HydrophobicContact CG1-CG 4.26Å |
| 92 | F | 98.8 | Very high | 94.7 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 18% | 0.184 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.4 | 172.6 | -72.1 | -100.7 | 0 | 0 | 0 | 109.8 | I40 V42 I47 I50 V63 L64 F66 D90 | I40-F92 HydrophobicContact CB-CD1 3.88Å; I40-F92 HydrophobicContact CB-CE1 3.95Å; I40-F92 HydrophobicContact CB-CG 4.4Å; I40-F92 HydrophobicContact CB-CZ 4.5Å; I40-F92 HydrophobicContact CD1-CE1 4.48Å; I40-F92 HydrophobicContact CD1-CE2 4.21Å; I40-F92 HydrophobicContact CD1-CZ 4.19Å; I40-F92 HydrophobicContact CG1-CE1 4.32Å; I40-F92 HydrophobicContact CG1-CZ 4.44Å; I40-F92 HydrophobicContact CG2-CD1 4.01Å; I40-F92 HydrophobicContact CG2-CE1 3.9Å; I40-F92 CarbonylContact O-C 3.6Å; I40-F92 WeakPolarHBondContact O-CA 3.36Å; V42-F92 HydrophobicContact CG1-CD1 4.11Å; V42-F92 HydrophobicContact CG2-CB 4.48Å; I47-F92 HydrophobicContact CD1-CB 4.49Å; I50-F92 HydrophobicContact CD1-CD1 3.57Å; I50-F92 HydrophobicContact CD1-CE1 3.77Å; I50-F92 HydrophobicContact CD1-CG 4.19Å; V63-F92 CarbonylContact C-O 3.58Å; V63-F92 VanDerWaalsContact CA-O 3.25Å; V63-F92 WeakPolarHBondContact CA-O 3.48Å; L64-F92 HydrophobicContact CB-CB 4.4Å; L64-F92 PolarHBondContact N-O 3.24Å; L64-F92 PolarHBondContact O-N 3.04Å; F66-F92 AromaticContact CD2-CD2 3.64Å; F66-F92 HydrophobicContact CD2-CD2 3.64Å; F66-F92 AromaticContact CD2-CE2 3.82Å; F66-F92 HydrophobicContact CD2-CE2 3.82Å; F66-F92 AromaticContact CE2-CD2 3.54Å; F66-F92 HydrophobicContact CE2-CD2 3.54Å; F66-F92 AromaticContact CE2-CE2 3.9Å; F66-F92 HydrophobicContact CE2-CE2 3.9Å; F66-F92 HydrophobicContact CE2-CG 4.43Å; D90-F92 HydrophobicContact CB-CE2 4.03Å |
| 93 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.3 | -179.6 | -58.6 | 176.7 | 0 | 0 | 0 | 110.4 | L19 V39 I40 V42 V63 I91 V95 L113 V116 | L19-L93 HydrophobicContact CD2-CD1 4.23Å; V39-L93 HydrophobicContact CG1-CD1 3.62Å; V39-L93 HydrophobicContact CG1-CG 4.22Å; I40-L93 PolarHBondContact O-N 3.48Å; V42-L93 VanDerWaalsContact CG2-O 3.3Å; V42-L93 WeakPolarHBondContact CG2-O 3.37Å; V42-L93 PolarHBondContact N-O 2.68Å; V63-L93 HydrophobicContact CB-CD2 4.46Å; V63-L93 HydrophobicContact CG2-CD2 4.06Å; I91-L93 HydrophobicContact CG2-CD2 3.79Å; I91-L93 HydrophobicContact CG2-CG 4.3Å; L93-V95 VanDerWaalsContact C-N 3.31Å; L93-V95 HydrophobicContact CB-CG2 4.36Å; L93-V95 PolarHBondContact O-N 3.48Å; L93-L113 HydrophobicContact CB-CD2 4.37Å; L93-L113 HydrophobicContact CD1-CD2 4.07Å; L93-V116 HydrophobicContact CD2-CB 4.32Å; L93-V116 HydrophobicContact CD2-CG1 3.56Å |
| 94 | G | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 75.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | I47 D62 E96 Y97 L98 | I47-G94 VanDerWaalsContact CD1-CA 3.49Å; D62-G94 PolarHBondContact O-N 3.14Å; G94-E96 VanDerWaalsContact C-N 3.33Å; G94-E96 PolarHBondContact O-N 3.35Å; G94-Y97 WeakPolarHBondContact O-CB 3.21Å; G94-Y97 PolarHBondContact O-N 3.43Å; G94-Y97 VanDerWaalsContact O-N 3.13Å; G94-L98 WeakPolarHBondContact O-CG 3.45Å; G94-L98 PolarHBondContact O-N 3.47Å |
| 95 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | -169.6 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | Q9 V12 C41 V42 L93 L98 M99 L109 L113 | Q9-V95 HydrophobicContact CG-CB 4.36Å; V12-V95 HydrophobicContact CB-CG1 3.81Å; V12-V95 HydrophobicContact CG1-CG1 3.92Å; V12-V95 HydrophobicContact CG2-CG1 4.31Å; C41-V95 HydrophobicContact CB-CG2 3.53Å; V42-V95 PolarHBondContact O-N 2.82Å; L93-V95 VanDerWaalsContact C-N 3.31Å; L93-V95 HydrophobicContact CB-CG2 4.36Å; L93-V95 PolarHBondContact O-N 3.48Å; V95-L98 PolarHBondContact O-N 2.89Å; V95-M99 WeakPolarHBondContact O-CB 3.45Å; V95-M99 PolarHBondContact O-N 3.48Å; V95-L109 HydrophobicContact CG1-CD2 4.38Å; V95-L113 HydrophobicContact CG2-CD2 4.18Å |
| 96 | E | 97.8 | Very high | 95.8 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 176.9 | -168.6 | -160.9 | 143.5 | 0 | 0 | 112 | V11 V12 N44 G94 M99 K100 | V11-E96 HydrophobicContact CG1-CG 3.86Å; V12-E96 HydrophobicContact CG2-CB 4.4Å; N44-E96 WeakPolarHBondContact CB-OE2 3.49Å; N44-E96 PolarHBondContact N-OE2 2.66Å; N44-E96 VanDerWaalsContact N-OE2 3.14Å; N44-E96 WeakPolarHBondContact ND2-CG 3.39Å; N44-E96 PolarHBondContact ND2-OE1 3.03Å; N44-E96 PolarHBondContact ND2-OE2 3.17Å; G94-E96 VanDerWaalsContact C-N 3.33Å; G94-E96 PolarHBondContact O-N 3.35Å; E96-M99 PolarHBondContact O-N 3.46Å; E96-K100 PolarHBondContact O-N 2.83Å; E96-K100 IonicContact OE1-NZ 2.79Å; E96-K100 PolarHBondContact OE1-NZ 2.83Å |
| 97 | Y | 97.4 | Very high | 95.7 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -50.8 | 175.1 | -175.2 | -96.1 | 0 | 0 | 0 | 110.5 | N44 P60 D62 G94 M99 K100 Q101 | N44-Y97 WeakPolarHBondContact OD1-CA 3.44Å; N44-Y97 VanDerWaalsContact OD1-CB 3.25Å; N44-Y97 WeakPolarHBondContact OD1-CB 3.09Å; N44-Y97 PolarHBondContact OD1-N 2.94Å; P60-Y97 HydrophobicContact CB-CD2 3.92Å; P60-Y97 HydrophobicContact CG-CD2 3.95Å; P60-Y97 HydrophobicContact CG-CE2 4.36Å; D62-Y97 HydrophobicContact CB-CD1 4.08Å; D62-Y97 HydrophobicContact CB-CE1 4.29Å; G94-Y97 WeakPolarHBondContact O-CB 3.21Å; G94-Y97 PolarHBondContact O-N 3.43Å; G94-Y97 VanDerWaalsContact O-N 3.13Å; Y97-M99 VanDerWaalsContact C-N 3.35Å; Y97-M99 PolarHBondContact O-N 2.75Å; Y97-K100 PolarHBondContact O-N 2.81Å; Y97-Q101 HydrophobicContact CD1-CG 4.25Å; Y97-Q101 HydrophobicContact CE1-CG 3.91Å; Y97-Q101 PolarHBondContact O-N 2.78Å; Y97-Q101 VanDerWaalsContact O-N 3.11Å |
| 98 | L | 97.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 179.1 | -72.8 | 174 | 0 | 0 | 0 | 112.4 | D62 G94 V95 K100 Q101 C102 L109 I112 L113 V116 | D62-L98 HydrophobicContact CB-CD2 3.49Å; D62-L98 VanDerWaalsContact CB-CD2 3.49Å; D62-L98 HydrophobicContact CB-CG 4.04Å; G94-L98 WeakPolarHBondContact O-CG 3.45Å; G94-L98 PolarHBondContact O-N 3.47Å; V95-L98 PolarHBondContact O-N 2.89Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.01Å; L98-Q101 PolarHBondContact O-N 2.89Å; L98-C102 WeakPolarHBondContact O-CB 3.48Å; L98-C102 PolarHBondContact O-N 2.98Å; L98-C102 PolarHBondContact O-SG 2.89Å; L98-L109 HydrophobicContact CB-CD1 3.96Å; L98-I112 HydrophobicContact CD2-CG2 3.72Å; L98-L113 HydrophobicContact CD1-CD2 3.66Å; L98-L113 HydrophobicContact CD1-CG 4.5Å; L98-V116 HydrophobicContact CD1-CB 4.4Å; L98-V116 HydrophobicContact CD1-CG1 4.33Å; L98-V116 HydrophobicContact CD1-CG2 3.89Å; L98-V116 HydrophobicContact CD2-CG2 3.82Å |
| 99 | M | 97.2 | Very high | 95.6 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 29% | 0.291 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.4 | -175.7 | 62.7 | -172.1 | 0 | 0 | 111.6 | V12 V95 E96 Y97 Q101 C102 Q103 L109 | V12-M99 HydrophobicContact CG1-CB 4.15Å; V12-M99 HydrophobicContact CG1-CG 4.07Å; V12-M99 HydrophobicContact CG1-SD 4.27Å; V12-M99 HydrophobicContact CG2-CB 3.83Å; V12-M99 HydrophobicContact CG2-CG 4.08Å; V95-M99 WeakPolarHBondContact O-CB 3.45Å; V95-M99 PolarHBondContact O-N 3.48Å; E96-M99 PolarHBondContact O-N 3.46Å; Y97-M99 VanDerWaalsContact C-N 3.35Å; Y97-M99 PolarHBondContact O-N 2.75Å; M99-Q101 PolarHBondContact O-N 3.45Å; M99-C102 PolarHBondContact O-N 3.11Å; M99-Q103 HydrophobicContact CE-CG 3.96Å; M99-Q103 WeakPolarHBondContact O-CG 3.41Å; M99-Q103 PolarHBondContact O-N 3.23Å; M99-L109 HydrophobicContact CB-CD1 4.37Å; M99-L109 HydrophobicContact SD-CB 4.21Å; M99-L109 HydrophobicContact SD-CD2 3.79Å; M99-L109 HydrophobicContact SD-CG 4.39Å |
| 100 | K | 95.5 | Very high | 95.5 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 43% | 0.426 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 176 | -75.2 | 170 | 169.8 | 164.9 | 0 | 111.7 | N44 E96 Y97 L98 Q103 Q104 | N44-K100 PolarHBondContact ND2-NZ 3Å; E96-K100 PolarHBondContact O-N 2.83Å; E96-K100 IonicContact OE1-NZ 2.79Å; E96-K100 PolarHBondContact OE1-NZ 2.83Å; Y97-K100 PolarHBondContact O-N 2.81Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.01Å; K100-Q103 PolarHBondContact O-N 3.23Å; K100-Q104 WeakPolarHBondContact O-CG 3.46Å; K100-Q104 PolarHBondContact O-N 2.84Å |
| 101 | Q | 93.5 | Very high | 95.4 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 27% | 0.266 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 176.1 | -66.6 | -58.1 | -69.4 | 0 | 0 | 112.1 | Y97 L98 M99 Q103 Q104 Q105 | Y97-Q101 HydrophobicContact CD1-CG 4.25Å; Y97-Q101 HydrophobicContact CE1-CG 3.91Å; Y97-Q101 PolarHBondContact O-N 2.78Å; Y97-Q101 VanDerWaalsContact O-N 3.11Å; L98-Q101 PolarHBondContact O-N 2.89Å; M99-Q101 PolarHBondContact O-N 3.45Å; Q101-Q103 VanDerWaalsContact C-N 3.31Å; Q101-Q103 PolarHBondContact O-N 3.46Å; Q101-Q104 PolarHBondContact O-N 3.49Å; Q101-Q104 VanDerWaalsContact O-N 3.17Å; Q101-Q105 PolarHBondContact O-N 2.8Å; Q101-Q105 VanDerWaalsContact O-N 3.09Å |
| 102 | C | 94.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 178 | -68.2 | 0 | 0 | 0 | 0 | 112 | L98 M99 Q104 Q105 S106 Q107 | L98-C102 WeakPolarHBondContact O-CB 3.48Å; L98-C102 PolarHBondContact O-N 2.98Å; L98-C102 PolarHBondContact O-SG 2.89Å; M99-C102 PolarHBondContact O-N 3.11Å; C102-Q104 VanDerWaalsContact C-N 3.34Å; C102-Q105 PolarHBondContact O-N 3.43Å; C102-S106 WeakPolarHBondContact O-CA 3.36Å; C102-S106 PolarHBondContact O-N 2.98Å; C102-Q107 HydrophobicContact CB-CB 4.37Å; C102-Q107 WeakPolarHBondContact CB-O 3.31Å; C102-Q107 PolarHBondContact O-N 3.09Å |
| 103 | Q | 93.9 | Very high | 95.2 | Very high | 127 Ų | 127 | 49.4 Ų | 49.4 | 59% | 0.593 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.5 | -37.7 | 176.3 | -74.9 | 174 | -26.5 | 0 | 0 | 112.4 | M99 K100 Q101 | M99-Q103 HydrophobicContact CE-CG 3.96Å; M99-Q103 WeakPolarHBondContact O-CG 3.41Å; M99-Q103 PolarHBondContact O-N 3.23Å; K100-Q103 PolarHBondContact O-N 3.23Å; Q101-Q103 VanDerWaalsContact C-N 3.31Å; Q101-Q103 PolarHBondContact O-N 3.46Å |
| 104 | Q | 92.8 | Very high | 95.2 | Very high | 141 Ų | 141 | 49.5 Ų | 49.5 | 66% | 0.659 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -70.8 | -32.1 | 178.9 | -69.9 | 171.5 | -13 | 0 | 0 | 112.5 | K100 Q101 C102 | K100-Q104 WeakPolarHBondContact O-CG 3.46Å; K100-Q104 PolarHBondContact O-N 2.84Å; Q101-Q104 PolarHBondContact O-N 3.49Å; Q101-Q104 VanDerWaalsContact O-N 3.17Å; C102-Q104 VanDerWaalsContact C-N 3.34Å |
| 105 | Q | 89 | Confident | 95.1 | Very high | 99 Ų | 99 | 49.7 Ų | 49.7 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -106 | 6.2 | -175.1 | -61.5 | 179.3 | 16.4 | 0 | 0 | 113.2 | Q101 C102 Q107 | Q101-Q105 PolarHBondContact O-N 2.8Å; Q101-Q105 VanDerWaalsContact O-N 3.09Å; C102-Q105 PolarHBondContact O-N 3.43Å; Q105-Q107 VanDerWaalsContact C-N 3.29Å; Q105-Q107 HydrophobicContact CB-CG 3.89Å; Q105-Q107 PolarHBondContact O-N 3.09Å |
| 106 | S | 91.3 | Very high | 95.1 | Very high | 118 Ų | 118 | 49.7 Ų | 49.7 | 83% | 0.825 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.2 | -176.2 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | C102 | C102-S106 WeakPolarHBondContact O-CA 3.36Å; C102-S106 PolarHBondContact O-N 2.98Å |
| 107 | Q | 91.6 | Very high | 95.1 | Very high | 81 Ų | 81 | 48 Ų | 48 | 38% | 0.379 | 24% | 0.24 | S | C | . | . | trans | -101.8 | 153.5 | -177.4 | -64.8 | -179.9 | -46.1 | 0 | 0 | 112.9 | C102 Q105 L109 I112 | C102-Q107 HydrophobicContact CB-CB 4.37Å; C102-Q107 WeakPolarHBondContact CB-O 3.31Å; C102-Q107 PolarHBondContact O-N 3.09Å; Q105-Q107 VanDerWaalsContact C-N 3.29Å; Q105-Q107 HydrophobicContact CB-CG 3.89Å; Q105-Q107 PolarHBondContact O-N 3.09Å; Q107-L109 PolarHBondContact O-N 3.03Å; Q107-I112 HydrophobicContact CB-CD1 4.46Å; Q107-I112 HydrophobicContact CB-CG1 4.07Å | ||
| 108 | D | 93.4 | Very high | 95.1 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 43% | 0.428 | 23% | 0.228 | S | C | . | . | trans | -73.7 | 116.2 | 171.4 | 175.9 | 34.1 | 0 | 0 | 0 | 110.5 | R18 H110 G111 I112 | R18-D108 IonicContact CZ-OD2 3.52Å; R18-D108 IonicContact NH1-OD2 3.32Å; R18-D108 IonicContact NH2-OD2 2.99Å; R18-D108 PolarHBondContact NH2-OD2 3.42Å; D108-H110 PolarHBondContact O-N 3.45Å; D108-H110 PolarHBondContact OD1-N 3.15Å; D108-G111 PolarHBondContact O-N 3.46Å; D108-G111 VanDerWaalsContact O-N 3.13Å; D108-G111 PolarHBondContact OD2-N 2.91Å; D108-I112 PolarHBondContact O-N 3.47Å | ||
| 109 | L | 95.1 | Very high | 95.1 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.3 | -39.4 | 176.2 | 175.9 | 65.7 | 0 | 0 | 0 | 112.1 | V12 V95 L98 M99 Q107 I112 L113 | V12-L109 HydrophobicContact CG1-CD2 3.6Å; V95-L109 HydrophobicContact CG1-CD2 4.38Å; L98-L109 HydrophobicContact CB-CD1 3.96Å; M99-L109 HydrophobicContact CB-CD1 4.37Å; M99-L109 HydrophobicContact SD-CB 4.21Å; M99-L109 HydrophobicContact SD-CD2 3.79Å; M99-L109 HydrophobicContact SD-CG 4.39Å; Q107-L109 PolarHBondContact O-N 3.03Å; L109-I112 PolarHBondContact O-N 2.81Å; L109-L113 HydrophobicContact CD1-CD1 4.17Å; L109-L113 HydrophobicContact CD1-CG 4.07Å; L109-L113 HydrophobicContact CD2-CD1 4.38Å; L109-L113 HydrophobicContact CG-CD1 3.87Å; L109-L113 HydrophobicContact CG-CG 4.24Å; L109-L113 WeakPolarHBondContact O-CB 3.26Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 3.19Å |
| 110 | H | 94.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 11% | 0.106 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | -178.1 | -77.3 | -63.5 | 0 | 0 | 0 | 112.8 | R18 D108 T114 | R18-H110 PolarHBondContact NH1-CD2 3.41Å; D108-H110 PolarHBondContact O-N 3.45Å; D108-H110 PolarHBondContact OD1-N 3.15Å; H110-T114 PolarHBondContact O-N 3.12Å; H110-T114 VanDerWaalsContact O-N 3.15Å; H110-T114 PolarHBondContact O-OG1 2.93Å |
| 111 | G | 95.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | D108 L113 T114 S115 L157 | D108-G111 PolarHBondContact O-N 3.46Å; D108-G111 VanDerWaalsContact O-N 3.13Å; D108-G111 PolarHBondContact OD2-N 2.91Å; G111-L113 PolarHBondContact O-N 2.92Å; G111-T114 WeakPolarHBondContact O-CA 3.32Å; G111-T114 VanDerWaalsContact O-CB 3.3Å; G111-T114 WeakPolarHBondContact O-CB 3.26Å; G111-T114 PolarHBondContact O-N 3.25Å; G111-T114 VanDerWaalsContact O-N 3.08Å; G111-S115 PolarHBondContact O-N 3.23Å; G111-L157 VanDerWaalsContact CA-CD2 3.42Å |
| 112 | I | 96.5 | Very high | 95.4 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 178.5 | -66.8 | -59.5 | 0 | 0 | 0 | 111.9 | L98 Q107 D108 L109 T114 S115 V116 L160 | L98-I112 HydrophobicContact CD2-CG2 3.72Å; Q107-I112 HydrophobicContact CB-CD1 4.46Å; Q107-I112 HydrophobicContact CB-CG1 4.07Å; D108-I112 PolarHBondContact O-N 3.47Å; L109-I112 PolarHBondContact O-N 2.81Å; I112-T114 PolarHBondContact O-N 3.05Å; I112-S115 PolarHBondContact O-N 3.42Å; I112-S115 VanDerWaalsContact O-N 3.11Å; I112-V116 HydrophobicContact CG2-CG2 3.93Å; I112-V116 WeakPolarHBondContact O-CB 3.28Å; I112-V116 WeakPolarHBondContact O-CG2 3.41Å; I112-V116 PolarHBondContact O-N 3.48Å; I112-L160 HydrophobicContact CD1-CD2 4.34Å |
| 113 | L | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57 | -34.5 | 175.1 | -74.6 | 168.1 | 0 | 0 | 0 | 112.4 | L14 L19 L93 V95 L98 L109 G111 T117 | L14-L113 HydrophobicContact CD1-CD1 3.36Å; L19-L113 HydrophobicContact CD1-CB 4.15Å; L93-L113 HydrophobicContact CB-CD2 4.37Å; L93-L113 HydrophobicContact CD1-CD2 4.07Å; V95-L113 HydrophobicContact CG2-CD2 4.18Å; L98-L113 HydrophobicContact CD1-CD2 3.66Å; L98-L113 HydrophobicContact CD1-CG 4.5Å; L109-L113 HydrophobicContact CD1-CD1 4.17Å; L109-L113 HydrophobicContact CD1-CG 4.07Å; L109-L113 HydrophobicContact CD2-CD1 4.38Å; L109-L113 HydrophobicContact CG-CD1 3.87Å; L109-L113 HydrophobicContact CG-CG 4.24Å; L109-L113 WeakPolarHBondContact O-CB 3.26Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 3.19Å; G111-L113 PolarHBondContact O-N 2.92Å; L113-T117 VanDerWaalsContact O-CB 3.29Å; L113-T117 WeakPolarHBondContact O-CB 3.5Å; L113-T117 PolarHBondContact O-N 3.11Å; L113-T117 PolarHBondContact O-OG1 3.2Å |
| 114 | T | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.4 | -49.1 | 175.8 | -54 | 0 | 0 | 0 | 0 | 110.8 | D22 L26 H110 G111 I112 V116 T117 A118 F149 L157 | D22-T114 HydrophobicContact CB-CG2 4.03Å; D22-T114 PolarHBondContact OD2-OG1 3.44Å; L26-T114 HydrophobicContact CD1-CG2 4.08Å; H110-T114 PolarHBondContact O-N 3.12Å; H110-T114 VanDerWaalsContact O-N 3.15Å; H110-T114 PolarHBondContact O-OG1 2.93Å; G111-T114 WeakPolarHBondContact O-CA 3.32Å; G111-T114 VanDerWaalsContact O-CB 3.3Å; G111-T114 WeakPolarHBondContact O-CB 3.26Å; G111-T114 PolarHBondContact O-N 3.25Å; G111-T114 VanDerWaalsContact O-N 3.08Å; I112-T114 PolarHBondContact O-N 3.05Å; T114-V116 PolarHBondContact O-N 3.36Å; T114-T117 PolarHBondContact O-N 3.36Å; T114-A118 PolarHBondContact O-N 2.83Å; T114-F149 HydrophobicContact CG2-CD1 4.41Å; T114-F149 HydrophobicContact CG2-CD2 4.36Å; T114-F149 HydrophobicContact CG2-CE1 3.95Å; T114-F149 HydrophobicContact CG2-CE2 3.87Å; T114-F149 HydrophobicContact CG2-CZ 3.66Å; T114-L157 HydrophobicContact CG2-CD1 3.51Å |
| 115 | S | 97.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.8 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | G111 I112 T117 A118 H119 V158 | G111-S115 PolarHBondContact O-N 3.23Å; I112-S115 PolarHBondContact O-N 3.42Å; I112-S115 VanDerWaalsContact O-N 3.11Å; S115-T117 VanDerWaalsContact C-N 3.32Å; S115-T117 PolarHBondContact O-N 2.92Å; S115-A118 WeakPolarHBondContact O-CB 3.4Å; S115-A118 PolarHBondContact O-N 3.17Å; S115-H119 WeakPolarHBondContact O-CB 3.47Å; S115-H119 PolarHBondContact O-N 2.89Å; S115-V158 PolarHBondContact OG-O 3.47Å |
| 116 | V | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 176.7 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | V63 L93 L98 I112 T114 H119 G120 L160 | V63-V116 HydrophobicContact CB-CG1 3.44Å; V63-V116 VanDerWaalsContact CB-CG1 3.44Å; V63-V116 HydrophobicContact CG1-CG1 3.81Å; V63-V116 HydrophobicContact CG2-CG1 3.96Å; L93-V116 HydrophobicContact CD2-CB 4.32Å; L93-V116 HydrophobicContact CD2-CG1 3.56Å; L98-V116 HydrophobicContact CD1-CB 4.4Å; L98-V116 HydrophobicContact CD1-CG1 4.33Å; L98-V116 HydrophobicContact CD1-CG2 3.89Å; L98-V116 HydrophobicContact CD2-CG2 3.82Å; I112-V116 HydrophobicContact CG2-CG2 3.93Å; I112-V116 WeakPolarHBondContact O-CB 3.28Å; I112-V116 WeakPolarHBondContact O-CG2 3.41Å; I112-V116 PolarHBondContact O-N 3.48Å; T114-V116 PolarHBondContact O-N 3.36Å; V116-H119 WeakPolarHBondContact O-CB 3.34Å; V116-H119 PolarHBondContact O-N 3.35Å; V116-G120 PolarHBondContact O-N 3.03Å; V116-L160 HydrophobicContact CB-CD1 3.95Å; V116-L160 HydrophobicContact CG2-CD1 3.24Å |
| 117 | T | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67 | -41 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 111 | V23 L26 V39 I91 L113 T114 S115 G120 I121 | V23-T117 HydrophobicContact CG2-CG2 3.87Å; L26-T117 HydrophobicContact CD1-CG2 4.27Å; V39-T117 HydrophobicContact CG2-CG2 4.47Å; I91-T117 HydrophobicContact CD1-CG2 4.38Å; L113-T117 VanDerWaalsContact O-CB 3.29Å; L113-T117 WeakPolarHBondContact O-CB 3.5Å; L113-T117 PolarHBondContact O-N 3.11Å; L113-T117 PolarHBondContact O-OG1 3.2Å; T114-T117 PolarHBondContact O-N 3.36Å; S115-T117 VanDerWaalsContact C-N 3.32Å; S115-T117 PolarHBondContact O-N 2.92Å; T117-G120 PolarHBondContact O-N 3.18Å; T117-I121 HydrophobicContact CG2-CD1 4.15Å; T117-I121 HydrophobicContact CG2-CG1 4.5Å; T117-I121 VanDerWaalsContact O-CG1 3.31Å; T117-I121 WeakPolarHBondContact O-CG1 3.47Å; T117-I121 PolarHBondContact O-N 2.88Å |
| 118 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L26 T114 S115 G120 I121 C122 I145 L146 | L26-A118 HydrophobicContact CD1-CB 4.03Å; L26-A118 HydrophobicContact CD2-CB 3.97Å; T114-A118 PolarHBondContact O-N 2.83Å; S115-A118 WeakPolarHBondContact O-CB 3.4Å; S115-A118 PolarHBondContact O-N 3.17Å; A118-G120 VanDerWaalsContact C-N 3.33Å; A118-G120 PolarHBondContact O-N 2.81Å; A118-I121 PolarHBondContact O-N 3Å; A118-C122 PolarHBondContact O-N 2.89Å; A118-C122 PolarHBondContact O-SG 2.88Å; A118-C122 VanDerWaalsContact O-SG 3.38Å; A118-I145 HydrophobicContact CB-CG2 4.43Å; A118-L146 HydrophobicContact CB-CD2 4Å |
| 119 | H | 97.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 17.5 Ų | 17.5 | 9% | 0.088 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55 | -48.1 | 171.6 | 176.1 | 92.3 | 0 | 0 | 0 | 111.6 | S115 V116 I121 C122 H123 H129 M138 E142 | S115-H119 WeakPolarHBondContact O-CB 3.47Å; S115-H119 PolarHBondContact O-N 2.89Å; V116-H119 WeakPolarHBondContact O-CB 3.34Å; V116-H119 PolarHBondContact O-N 3.35Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 3.28Å; H119-C122 WeakPolarHBondContact O-CB 3.28Å; H119-C122 PolarHBondContact O-N 3.05Å; H119-C122 VanDerWaalsContact O-N 3.12Å; H119-H123 AromaticContact CD2-CD2 3.72Å; H119-H123 AromaticContact CD2-NE2 3.94Å; H119-H123 AromaticContact CE1-NE2 3.66Å; H119-H123 AromaticContact NE2-CD2 3.42Å; H119-H123 PolarHBondContact NE2-CD2 3.12Å; H119-H123 AromaticContact NE2-NE2 3.15Å; H119-H123 PolarHBondContact NE2-NE2 2.9Å; H119-H123 VanDerWaalsContact NE2-NE2 3.15Å; H119-H123 PolarHBondContact O-N 3.33Å; H119-H123 VanDerWaalsContact O-N 3.13Å; H119-H129 AromaticContact CE1-NE2 3.97Å; H119-M138 WeakPolarHBondContact CE1-CE 3.19Å; H119-M138 WeakPolarHBondContact ND1-CE 3.46Å; H119-E142 WeakPolarHBondContact CA-OE1 3.06Å; H119-E142 WeakPolarHBondContact CB-OE1 3.32Å; H119-E142 IonicContact CE1-OE1 2.81Å; H119-E142 IonicContact CG-OE1 3.06Å; H119-E142 VanDerWaalsContact CG-OE1 3.23Å; H119-E142 IonicContact ND1-OE1 3.76Å; H119-E142 PolarHBondContact ND1-OE1 3.38Å |
| 120 | G | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | S65 V116 T117 A118 H123 L124 | S65-G120 WeakPolarHBondContact OG-CA 3.43Å; S65-G120 PolarHBondContact OG-O 2.91Å; V116-G120 PolarHBondContact O-N 3.03Å; T117-G120 PolarHBondContact O-N 3.18Å; A118-G120 VanDerWaalsContact C-N 3.33Å; A118-G120 PolarHBondContact O-N 2.81Å; G120-H123 WeakPolarHBondContact O-CB 3.16Å; G120-H123 PolarHBondContact O-N 3.37Å; G120-L124 WeakPolarHBondContact O-CG 3.3Å; G120-L124 PolarHBondContact O-N 3.41Å; G120-L124 VanDerWaalsContact O-N 3.14Å |
| 121 | I | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -39.3 | 175.1 | -65.3 | 166.1 | 0 | 0 | 0 | 111 | L26 L30 I32 L37 I91 T117 A118 H119 H123 L124 L125 | L26-I121 HydrophobicContact CB-CD1 4.18Å; L26-I121 HydrophobicContact CD1-CD1 4.45Å; L30-I121 HydrophobicContact CD1-CB 4.33Å; L30-I121 HydrophobicContact CD1-CG2 3.45Å; L30-I121 VanDerWaalsContact CD1-CG2 3.45Å; I32-I121 HydrophobicContact CD1-CG2 3.63Å; L37-I121 HydrophobicContact CD2-CD1 3.95Å; L37-I121 HydrophobicContact CD2-CG1 4.02Å; I91-I121 HydrophobicContact CD1-CB 4.5Å; I91-I121 HydrophobicContact CD1-CG1 3.66Å; T117-I121 HydrophobicContact CG2-CD1 4.15Å; T117-I121 HydrophobicContact CG2-CG1 4.5Å; T117-I121 VanDerWaalsContact O-CG1 3.31Å; T117-I121 WeakPolarHBondContact O-CG1 3.47Å; T117-I121 PolarHBondContact O-N 2.88Å; A118-I121 PolarHBondContact O-N 3Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 3.28Å; I121-H123 VanDerWaalsContact C-N 3.26Å; I121-H123 PolarHBondContact O-N 2.98Å; I121-L124 PolarHBondContact O-N 2.66Å; I121-L124 VanDerWaalsContact O-N 3.08Å; I121-L125 HydrophobicContact CG2-CD1 3.98Å; I121-L125 HydrophobicContact CG2-CG 4.29Å; I121-L125 WeakPolarHBondContact O-CG 3.45Å; I121-L125 PolarHBondContact O-N 3.29Å |
| 122 | C | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.2 | -44.6 | 173.7 | -70 | 0 | 0 | 0 | 0 | 110.9 | A118 H119 L124 L125 G126 Y127 M138 I145 | A118-C122 PolarHBondContact O-N 2.89Å; A118-C122 PolarHBondContact O-SG 2.88Å; A118-C122 VanDerWaalsContact O-SG 3.38Å; H119-C122 WeakPolarHBondContact O-CB 3.28Å; H119-C122 PolarHBondContact O-N 3.05Å; H119-C122 VanDerWaalsContact O-N 3.12Å; C122-L124 PolarHBondContact O-N 2.96Å; C122-L125 CarbonylContact O-C 3.46Å; C122-L125 WeakPolarHBondContact O-CA 3.44Å; C122-L125 PolarHBondContact O-N 2.83Å; C122-G126 PolarHBondContact O-N 3.08Å; C122-Y127 HydrophobicContact CB-CD2 4.35Å; C122-Y127 HydrophobicContact CB-CG 4.38Å; C122-Y127 WeakPolarHBondContact O-CB 3.26Å; C122-Y127 WeakPolarHBondContact O-CD2 3.4Å; C122-Y127 PolarHBondContact O-N 3.14Å; C122-M138 HydrophobicContact CB-CE 4.28Å; C122-I145 VanDerWaalsContact SG-CD1 3.51Å |
| 123 | H | 96.7 | Very high | 95.6 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 22% | 0.222 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 174 | -79.1 | -49.5 | 0 | 0 | 0 | 113.8 | H119 G120 I121 L125 G126 Y127 H129 | H119-H123 AromaticContact CD2-CD2 3.72Å; H119-H123 AromaticContact CD2-NE2 3.94Å; H119-H123 AromaticContact CE1-NE2 3.66Å; H119-H123 AromaticContact NE2-CD2 3.42Å; H119-H123 PolarHBondContact NE2-CD2 3.12Å; H119-H123 AromaticContact NE2-NE2 3.15Å; H119-H123 PolarHBondContact NE2-NE2 2.9Å; H119-H123 VanDerWaalsContact NE2-NE2 3.15Å; H119-H123 PolarHBondContact O-N 3.33Å; H119-H123 VanDerWaalsContact O-N 3.13Å; G120-H123 WeakPolarHBondContact O-CB 3.16Å; G120-H123 PolarHBondContact O-N 3.37Å; I121-H123 VanDerWaalsContact C-N 3.26Å; I121-H123 PolarHBondContact O-N 2.98Å; H123-L125 PolarHBondContact O-N 2.91Å; H123-G126 PolarHBondContact O-N 3.46Å; H123-G126 VanDerWaalsContact O-N 3.11Å; H123-Y127 PolarHBondContact ND1-O 2.96Å; H123-H129 AromaticContact CE1-CD2 3.43Å; H123-H129 PolarHBondContact CE1-CD2 2.86Å; H123-H129 VanDerWaalsContact CE1-CD2 3.43Å; H123-H129 AromaticContact CE1-NE2 3.62Å; H123-H129 AromaticContact NE2-CD2 3.74Å; H123-H129 AromaticContact NE2-NE2 3.57Å |
| 124 | L | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -25.1 | 174.3 | -58.6 | -177.1 | 0 | 0 | 0 | 112.6 | L37 F66 P67 L88 I91 G120 I121 C122 G126 | L37-L124 HydrophobicContact CD1-CD1 3.32Å; F66-L124 VanDerWaalsContact C-CD2 3.43Å; F66-L124 WeakPolarHBondContact O-CD2 3.36Å; P67-L124 HydrophobicContact CB-CD2 4.25Å; L88-L124 HydrophobicContact CB-CB 4.37Å; L88-L124 HydrophobicContact CB-CD1 4.11Å; I91-L124 HydrophobicContact CD1-CD1 3.94Å; I91-L124 HydrophobicContact CG1-CD1 3.73Å; I91-L124 HydrophobicContact CG1-CG 4.26Å; G120-L124 WeakPolarHBondContact O-CG 3.3Å; G120-L124 PolarHBondContact O-N 3.41Å; G120-L124 VanDerWaalsContact O-N 3.14Å; I121-L124 PolarHBondContact O-N 2.66Å; I121-L124 VanDerWaalsContact O-N 3.08Å; C122-L124 PolarHBondContact O-N 2.96Å; L124-G126 VanDerWaalsContact C-N 3.3Å |
| 125 | L | 96.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 10.6 | 176.5 | -66.4 | 176.6 | 0 | 0 | 0 | 113.5 | L30 I32 L72 L77 L88 I121 C122 H123 Y127 | L30-L125 HydrophobicContact CD1-CD1 4.25Å; L30-L125 HydrophobicContact CD2-CD1 4.27Å; I32-L125 HydrophobicContact CG2-CD2 4.24Å; L72-L125 HydrophobicContact CD2-CD2 4.31Å; L77-L125 HydrophobicContact CD2-CD2 4.05Å; L88-L125 HydrophobicContact CD1-CD2 4.48Å; L88-L125 HydrophobicContact CD2-CD2 3.79Å; I121-L125 HydrophobicContact CG2-CD1 3.98Å; I121-L125 HydrophobicContact CG2-CG 4.29Å; I121-L125 WeakPolarHBondContact O-CG 3.45Å; I121-L125 PolarHBondContact O-N 3.29Å; C122-L125 CarbonylContact O-C 3.46Å; C122-L125 WeakPolarHBondContact O-CA 3.44Å; C122-L125 PolarHBondContact O-N 2.83Å; H123-L125 PolarHBondContact O-N 2.91Å; L125-Y127 HydrophobicContact CB-CD2 3.98Å; L125-Y127 HydrophobicContact CB-CE2 4.11Å |
| 126 | G | 95.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 3.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L72 P74 C122 H123 L124 | L72-G126 VanDerWaalsContact O-CA 3.3Å; L72-G126 WeakPolarHBondContact O-CA 3.48Å; P74-G126 WeakPolarHBondContact CD-O 3.13Å; P74-G126 WeakPolarHBondContact CG-O 3.13Å; C122-G126 PolarHBondContact O-N 3.08Å; H123-G126 PolarHBondContact O-N 3.46Å; H123-G126 VanDerWaalsContact O-N 3.11Å; L124-G126 VanDerWaalsContact C-N 3.3Å |
| 127 | Y | 95.1 | Very high | 95 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 8% | 0.078 | 22% | 0.217 | C | C | . | . | trans | -71.7 | 134.9 | 173 | -65.9 | -97.5 | 0 | 0 | 0 | 110.2 | P74 G75 C122 H123 L125 K141 | P74-Y127 HydrophobicContact CB-CD1 3.87Å; P74-Y127 HydrophobicContact CB-CD2 4.5Å; P74-Y127 HydrophobicContact CB-CE1 3.71Å; P74-Y127 HydrophobicContact CB-CE2 4.36Å; P74-Y127 HydrophobicContact CB-CG 4.28Å; P74-Y127 HydrophobicContact CG-CD1 4.32Å; P74-Y127 HydrophobicContact CG-CG 4.48Å; G75-Y127 PolarHBondContact N-OH 3.36Å; C122-Y127 HydrophobicContact CB-CD2 4.35Å; C122-Y127 HydrophobicContact CB-CG 4.38Å; C122-Y127 WeakPolarHBondContact O-CB 3.26Å; C122-Y127 WeakPolarHBondContact O-CD2 3.4Å; C122-Y127 PolarHBondContact O-N 3.14Å; H123-Y127 PolarHBondContact ND1-O 2.96Å; L125-Y127 HydrophobicContact CB-CD2 3.98Å; L125-Y127 HydrophobicContact CB-CE2 4.11Å; Y127-K141 HydrophobicContact CD1-CB 4Å; Y127-K141 HydrophobicContact CD1-CG 4.31Å; Y127-K141 HydrophobicContact CD2-CG 4.36Å; Y127-K141 HydrophobicContact CE1-CB 3.6Å; Y127-K141 HydrophobicContact CE1-CD 4.34Å; Y127-K141 HydrophobicContact CE1-CG 3.77Å; Y127-K141 HydrophobicContact CE2-CD 4.32Å; Y127-K141 HydrophobicContact CE2-CG 3.84Å; Y127-K141 WeakPolarHBondContact OH-CD 3.29Å | ||
| 128 | R | 93 | Very high | 94.9 | Very high | 122 Ų | 122 | 46.5 Ų | 46.5 | 46% | 0.46 | 22% | 0.217 | S | C | . | . | trans | -126.7 | 172.4 | 177 | -63 | -173.3 | -178.6 | -132 | 3.8 | 108.8 | E130 E134 M138 | R128-E130 IonicContact NH1-OE1 3.23Å; R128-E134 HydrophobicContact CB-CG 4.47Å; R128-E134 WeakPolarHBondContact CB-OE2 3.4Å; R128-E134 CarbonylContact O-C 3.3Å; R128-E134 VanDerWaalsContact O-C 3.3Å; R128-E134 WeakPolarHBondContact O-CB 3.46Å; R128-E134 VanDerWaalsContact O-O 3.04Å; R128-M138 WeakPolarHBondContact O-CB 3.21Å | ||
| 129 | H | 91.6 | Very high | 94.7 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 31% | 0.306 | 23% | 0.228 | S | C | . | . | trans | -149.3 | 36.8 | 178.7 | 63.6 | 83.6 | 0 | 0 | 0 | 110.9 | H119 H123 W135 M138 T161 | H119-H129 AromaticContact CE1-NE2 3.97Å; H123-H129 AromaticContact CE1-CD2 3.43Å; H123-H129 PolarHBondContact CE1-CD2 2.86Å; H123-H129 VanDerWaalsContact CE1-CD2 3.43Å; H123-H129 AromaticContact CE1-NE2 3.62Å; H123-H129 AromaticContact NE2-CD2 3.74Å; H123-H129 AromaticContact NE2-NE2 3.57Å; H129-W135 HydrophobicContact CB-CB 4.2Å; H129-M138 HydrophobicContact CB-CB 4.44Å; H129-M138 HydrophobicContact CB-SD 3.91Å; H129-M138 PolarHBondContact CD2-SD 3.36Å; H129-T161 HydrophobicContact CB-CG2 4.2Å | ||
| 130 | E | 89.3 | Confident | 94.6 | Very high | 140 Ų | 140 | 54.8 Ų | 54.8 | 65% | 0.654 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -83.6 | -28.4 | -179.8 | -62.6 | 177.9 | -162.4 | 0 | 0 | 111.3 | R128 E134 | R128-E130 IonicContact NH1-OE1 3.23Å; E130-E134 WeakPolarHBondContact CB-OE2 3.44Å; E130-E134 PolarHBondContact N-OE2 3.36Å |
| 131 | T | 92.1 | Very high | 94.6 | Very high | 63 Ų | 63 | 57.1 Ų | 57.1 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -110.3 | 165.5 | 171 | 78.8 | 0 | 0 | 0 | 0 | 112.3 | E133 E134 W135 | T131-E133 VanDerWaalsContact C-N 3.3Å; T131-E133 PolarHBondContact O-N 3.32Å; T131-E133 PolarHBondContact OG1-OE2 3.22Å; T131-E134 PolarHBondContact N-OE2 2.97Å; T131-E134 PolarHBondContact O-N 3.12Å; T131-E134 WeakPolarHBondContact OG1-CG 3.12Å; T131-E134 PolarHBondContact OG1-N 3.15Å; T131-W135 WeakPolarHBondContact O-CB 3.35Å; T131-W135 PolarHBondContact O-N 3.38Å |
| 132 | E | 92.4 | Very high | 94.5 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 27% | 0.271 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -36 | 177.4 | 178.7 | 74.4 | -175.3 | 0 | 0 | 111.7 | K136 K163 | E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 3.2Å; E132-K136 VanDerWaalsContact OE1-CE 3.31Å; E132-K136 WeakPolarHBondContact OE1-CE 3.43Å; E132-K136 IonicContact OE1-NZ 3.75Å; E132-K163 WeakPolarHBondContact OE1-CE 3.22Å; E132-K163 IonicContact OE1-NZ 2.67Å; E132-K163 PolarHBondContact OE1-NZ 3.22Å; E132-K163 VanDerWaalsContact OE2-CE 3.23Å; E132-K163 WeakPolarHBondContact OE2-CE 3.33Å |
| 133 | E | 92.8 | Very high | 94.4 | Very high | 123 Ų | 123 | 58.9 Ų | 58.9 | 58% | 0.575 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.6 | -50.4 | 176.3 | -65.5 | 69.1 | -148.2 | 0 | 0 | 111.1 | T131 W135 K136 E137 | T131-E133 VanDerWaalsContact C-N 3.3Å; T131-E133 PolarHBondContact O-N 3.32Å; T131-E133 PolarHBondContact OG1-OE2 3.22Å; E133-W135 VanDerWaalsContact C-N 3.3Å; E133-W135 PolarHBondContact O-N 3.34Å; E133-K136 PolarHBondContact O-N 3.45Å; E133-E137 PolarHBondContact O-N 3.13Å; E133-E137 VanDerWaalsContact O-N 3.1Å |
| 134 | E | 93.9 | Very high | 94.4 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 176.2 | -71.8 | -175.7 | 158.3 | 0 | 0 | 111.1 | R128 E130 T131 K136 E137 M138 | R128-E134 HydrophobicContact CB-CG 4.47Å; R128-E134 WeakPolarHBondContact CB-OE2 3.4Å; R128-E134 CarbonylContact O-C 3.3Å; R128-E134 VanDerWaalsContact O-C 3.3Å; R128-E134 WeakPolarHBondContact O-CB 3.46Å; R128-E134 VanDerWaalsContact O-O 3.04Å; E130-E134 WeakPolarHBondContact CB-OE2 3.44Å; E130-E134 PolarHBondContact N-OE2 3.36Å; T131-E134 PolarHBondContact N-OE2 2.97Å; T131-E134 PolarHBondContact O-N 3.12Å; T131-E134 WeakPolarHBondContact OG1-CG 3.12Å; T131-E134 PolarHBondContact OG1-N 3.15Å; E134-K136 VanDerWaalsContact C-N 3.32Å; E134-K136 PolarHBondContact O-N 3.42Å; E134-E137 PolarHBondContact O-N 2.64Å; E134-M138 WeakPolarHBondContact O-CB 3.36Å; E134-M138 PolarHBondContact O-N 3Å |
| 135 | W | 94.1 | Very high | 94.4 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 176.9 | 176.4 | 84.9 | 0 | 0 | 0 | 112.2 | H129 T131 E133 M138 L139 T161 K162 K163 | H129-W135 HydrophobicContact CB-CB 4.2Å; T131-W135 WeakPolarHBondContact O-CB 3.35Å; T131-W135 PolarHBondContact O-N 3.38Å; E133-W135 VanDerWaalsContact C-N 3.3Å; E133-W135 PolarHBondContact O-N 3.34Å; W135-M138 PolarHBondContact O-N 2.8Å; W135-L139 HydrophobicContact CH2-CD2 3.45Å; W135-L139 VanDerWaalsContact CH2-CD2 3.45Å; W135-L139 HydrophobicContact CZ2-CD2 3.59Å; W135-L139 HydrophobicContact CZ3-CD2 4.1Å; W135-L139 VanDerWaalsContact O-CB 3.24Å; W135-L139 WeakPolarHBondContact O-CB 3.37Å; W135-L139 PolarHBondContact O-N 3.04Å; W135-T161 HydrophobicContact CG-CG2 4.29Å; W135-K162 VanDerWaalsContact NE1-C 3.34Å; W135-K162 PolarHBondContact NE1-O 2.63Å; W135-K163 HydrophobicContact CD2-CG 4.47Å; W135-K163 VanDerWaalsContact CE2-CA 3.45Å; W135-K163 HydrophobicContact CE3-CG 4.48Å; W135-K163 HydrophobicContact CH2-CB 4.11Å; W135-K163 HydrophobicContact CH2-CD 4.19Å; W135-K163 HydrophobicContact CH2-CG 3.94Å; W135-K163 VanDerWaalsContact CZ2-CA 3.45Å; W135-K163 HydrophobicContact CZ2-CB 3.67Å; W135-K163 HydrophobicContact CZ2-CG 3.88Å; W135-K163 HydrophobicContact CZ3-CD 4.42Å; W135-K163 HydrophobicContact CZ3-CG 4.24Å |
| 136 | K | 94.4 | Very high | 94.4 | Very high | 108 Ų | 108 | 61.9 Ų | 61.9 | 47% | 0.47 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 176.6 | -76.5 | 169.8 | -175.1 | 161.7 | 0 | 111.8 | E132 E133 E134 M138 L139 Q140 | E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 3.2Å; E132-K136 VanDerWaalsContact OE1-CE 3.31Å; E132-K136 WeakPolarHBondContact OE1-CE 3.43Å; E132-K136 IonicContact OE1-NZ 3.75Å; E133-K136 PolarHBondContact O-N 3.45Å; E134-K136 VanDerWaalsContact C-N 3.32Å; E134-K136 PolarHBondContact O-N 3.42Å; K136-M138 VanDerWaalsContact C-N 3.34Å; K136-M138 PolarHBondContact O-N 3.26Å; K136-L139 PolarHBondContact O-N 3.46Å; K136-Q140 VanDerWaalsContact O-CB 3.3Å; K136-Q140 WeakPolarHBondContact O-CB 3.37Å; K136-Q140 PolarHBondContact O-N 3.41Å |
| 137 | E | 94.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 65.5 Ų | 65.5 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 177.9 | -70.9 | -170.4 | 176.8 | 0 | 0 | 111.6 | E133 E134 Q140 K141 | E133-E137 PolarHBondContact O-N 3.13Å; E133-E137 VanDerWaalsContact O-N 3.1Å; E134-E137 PolarHBondContact O-N 2.64Å; E137-Q140 PolarHBondContact O-N 3.33Å; E137-K141 WeakPolarHBondContact O-CB 3.24Å; E137-K141 PolarHBondContact O-N 3.16Å |
| 138 | M | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -47 | 178 | -179.9 | 152.2 | 176.3 | 0 | 0 | 112.1 | H119 C122 R128 H129 E134 W135 K136 Q140 K141 E142 | H119-M138 WeakPolarHBondContact CE1-CE 3.19Å; H119-M138 WeakPolarHBondContact ND1-CE 3.46Å; C122-M138 HydrophobicContact CB-CE 4.28Å; R128-M138 WeakPolarHBondContact O-CB 3.21Å; H129-M138 HydrophobicContact CB-CB 4.44Å; H129-M138 HydrophobicContact CB-SD 3.91Å; H129-M138 PolarHBondContact CD2-SD 3.36Å; E134-M138 WeakPolarHBondContact O-CB 3.36Å; E134-M138 PolarHBondContact O-N 3Å; W135-M138 PolarHBondContact O-N 2.8Å; K136-M138 VanDerWaalsContact C-N 3.34Å; K136-M138 PolarHBondContact O-N 3.26Å; M138-Q140 VanDerWaalsContact C-N 3.31Å; M138-Q140 PolarHBondContact O-N 3.14Å; M138-K141 PolarHBondContact O-N 3.19Å; M138-K141 VanDerWaalsContact O-N 3.15Å; M138-E142 WeakPolarHBondContact CE-OE1 3.48Å; M138-E142 WeakPolarHBondContact O-CG 3.4Å; M138-E142 PolarHBondContact O-N 3.15Å |
| 139 | L | 95.3 | Very high | 94.8 | Very high | 46 Ų | 46 | 60.7 Ų | 60.7 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 176.7 | 178.2 | 64.7 | 0 | 0 | 0 | 111.3 | W135 K136 K141 E142 S143 P159 | W135-L139 HydrophobicContact CH2-CD2 3.45Å; W135-L139 VanDerWaalsContact CH2-CD2 3.45Å; W135-L139 HydrophobicContact CZ2-CD2 3.59Å; W135-L139 HydrophobicContact CZ3-CD2 4.1Å; W135-L139 VanDerWaalsContact O-CB 3.24Å; W135-L139 WeakPolarHBondContact O-CB 3.37Å; W135-L139 PolarHBondContact O-N 3.04Å; K136-L139 PolarHBondContact O-N 3.46Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 2.84Å; L139-E142 PolarHBondContact O-N 3.41Å; L139-S143 VanDerWaalsContact O-CB 3.26Å; L139-S143 WeakPolarHBondContact O-CB 3.24Å; L139-S143 PolarHBondContact O-N 3.05Å; L139-S143 PolarHBondContact O-OG 2.89Å; L139-P159 HydrophobicContact CD1-CB 3.68Å; L139-P159 HydrophobicContact CD1-CG 4.05Å |
| 140 | Q | 95.4 | Very high | 95 | Very high | 146 Ų | 146 | 58.8 Ų | 58.8 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 176.5 | -174.7 | -179.8 | 8.9 | 0 | 0 | 110.7 | K136 E137 M138 S143 Y144 | K136-Q140 VanDerWaalsContact O-CB 3.3Å; K136-Q140 WeakPolarHBondContact O-CB 3.37Å; K136-Q140 PolarHBondContact O-N 3.41Å; E137-Q140 PolarHBondContact O-N 3.33Å; M138-Q140 VanDerWaalsContact C-N 3.31Å; M138-Q140 PolarHBondContact O-N 3.14Å; Q140-S143 PolarHBondContact O-N 2.86Å; Q140-Y144 WeakPolarHBondContact O-CB 3.18Å; Q140-Y144 PolarHBondContact O-N 3.05Å |
| 141 | K | 95.8 | Very high | 95.3 | Very high | 50 Ų | 50 | 61.3 Ų | 61.3 | 22% | 0.217 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 179.3 | -171.6 | 61.4 | 169.7 | -177.8 | 0 | 112.2 | Y127 E137 M138 L139 Y144 I145 | Y127-K141 HydrophobicContact CD1-CB 4Å; Y127-K141 HydrophobicContact CD1-CG 4.31Å; Y127-K141 HydrophobicContact CD2-CG 4.36Å; Y127-K141 HydrophobicContact CE1-CB 3.6Å; Y127-K141 HydrophobicContact CE1-CD 4.34Å; Y127-K141 HydrophobicContact CE1-CG 3.77Å; Y127-K141 HydrophobicContact CE2-CD 4.32Å; Y127-K141 HydrophobicContact CE2-CG 3.84Å; Y127-K141 WeakPolarHBondContact OH-CD 3.29Å; E137-K141 WeakPolarHBondContact O-CB 3.24Å; E137-K141 PolarHBondContact O-N 3.16Å; M138-K141 PolarHBondContact O-N 3.19Å; M138-K141 VanDerWaalsContact O-N 3.15Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 2.84Å; K141-Y144 PolarHBondContact O-N 3.37Å; K141-I145 HydrophobicContact CD-CD1 4.39Å; K141-I145 HydrophobicContact CG-CD1 3.96Å; K141-I145 WeakPolarHBondContact O-CD1 3.37Å; K141-I145 VanDerWaalsContact O-CG1 3.24Å; K141-I145 WeakPolarHBondContact O-CG1 3.3Å; K141-I145 PolarHBondContact O-N 3.43Å |
| 142 | E | 96.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 175.1 | -73.8 | -171 | 168 | 0 | 0 | 112.1 | H119 M138 L139 Y144 I145 L146 P159 L160 T161 | H119-E142 WeakPolarHBondContact CA-OE1 3.06Å; H119-E142 WeakPolarHBondContact CB-OE1 3.32Å; H119-E142 IonicContact CE1-OE1 2.81Å; H119-E142 IonicContact CG-OE1 3.06Å; H119-E142 VanDerWaalsContact CG-OE1 3.23Å; H119-E142 IonicContact ND1-OE1 3.76Å; H119-E142 PolarHBondContact ND1-OE1 3.38Å; M138-E142 WeakPolarHBondContact CE-OE1 3.48Å; M138-E142 WeakPolarHBondContact O-CG 3.4Å; M138-E142 PolarHBondContact O-N 3.15Å; L139-E142 PolarHBondContact O-N 3.41Å; E142-Y144 VanDerWaalsContact C-N 3.31Å; E142-Y144 PolarHBondContact O-N 3.03Å; E142-I145 PolarHBondContact O-N 3.44Å; E142-L146 WeakPolarHBondContact O-CB 3.38Å; E142-L146 WeakPolarHBondContact O-CG 3.39Å; E142-L146 PolarHBondContact O-N 3.46Å; E142-P159 HydrophobicContact CB-CB 3.94Å; E142-P159 HydrophobicContact CB-CG 4.22Å; E142-P159 WeakPolarHBondContact OE2-CB 3.37Å; E142-L160 PolarHBondContact OE2-N 3.24Å; E142-T161 PolarHBondContact OE1-OG1 3.11Å; E142-T161 WeakPolarHBondContact OE2-CB 3.45Å; E142-T161 PolarHBondContact OE2-N 3.33Å; E142-T161 PolarHBondContact OE2-OG1 3.29Å |
| 143 | S | 95.9 | Very high | 95.4 | Very high | 35 Ų | 35 | 64.1 Ų | 64.1 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 178 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | L139 Q140 N147 P159 | L139-S143 VanDerWaalsContact O-CB 3.26Å; L139-S143 WeakPolarHBondContact O-CB 3.24Å; L139-S143 PolarHBondContact O-N 3.05Å; L139-S143 PolarHBondContact O-OG 2.89Å; Q140-S143 PolarHBondContact O-N 2.86Å; S143-N147 WeakPolarHBondContact O-CB 3.37Å; S143-N147 PolarHBondContact O-N 3.15Å; S143-N147 PolarHBondContact O-ND2 2.98Å; S143-N147 VanDerWaalsContact O-ND2 3.14Å; S143-P159 WeakPolarHBondContact OG-CG 3.32Å |
| 144 | Y | 96 | Very high | 95.3 | Very high | 116 Ų | 116 | 61.7 Ų | 61.7 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58 | -52.7 | 175.8 | 169.5 | -98.6 | 0 | 0 | 0 | 112 | I29 Q140 K141 E142 L146 N147 E148 | I29-Y144 HydrophobicContact CG2-CE1 4.31Å; Q140-Y144 WeakPolarHBondContact O-CB 3.18Å; Q140-Y144 PolarHBondContact O-N 3.05Å; K141-Y144 PolarHBondContact O-N 3.37Å; E142-Y144 VanDerWaalsContact C-N 3.31Å; E142-Y144 PolarHBondContact O-N 3.03Å; Y144-L146 PolarHBondContact O-N 2.85Å; Y144-N147 PolarHBondContact O-N 2.98Å; Y144-E148 HydrophobicContact CD2-CG 4.38Å; Y144-E148 HydrophobicContact CE2-CG 3.93Å; Y144-E148 WeakPolarHBondContact O-CG 3.46Å; Y144-E148 PolarHBondContact O-N 3.4Å |
| 145 | I | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | -175.6 | -60.4 | 156 | 0 | 0 | 0 | 110.9 | L26 I29 L30 A118 C122 K141 E142 E148 F149 | L26-I145 HydrophobicContact CD2-CG2 3.51Å; I29-I145 HydrophobicContact CG2-CG2 4.32Å; L30-I145 HydrophobicContact CD1-CD1 4.01Å; L30-I145 HydrophobicContact CD1-CG1 4.4Å; L30-I145 HydrophobicContact CD2-CD1 3.62Å; L30-I145 HydrophobicContact CD2-CG1 3.58Å; L30-I145 HydrophobicContact CG-CD1 4.11Å; L30-I145 HydrophobicContact CG-CG1 4.03Å; L30-I145 HydrophobicContact CG-CG2 4.48Å; A118-I145 HydrophobicContact CB-CG2 4.43Å; C122-I145 VanDerWaalsContact SG-CD1 3.51Å; K141-I145 HydrophobicContact CD-CD1 4.39Å; K141-I145 HydrophobicContact CG-CD1 3.96Å; K141-I145 WeakPolarHBondContact O-CD1 3.37Å; K141-I145 VanDerWaalsContact O-CG1 3.24Å; K141-I145 WeakPolarHBondContact O-CG1 3.3Å; K141-I145 PolarHBondContact O-N 3.43Å; E142-I145 PolarHBondContact O-N 3.44Å; I145-E148 PolarHBondContact O-N 3.23Å; I145-F149 VanDerWaalsContact O-CB 3.31Å; I145-F149 WeakPolarHBondContact O-CB 3.26Å; I145-F149 PolarHBondContact O-N 3.19Å |
| 146 | L | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.1 | -34.8 | -178 | -66.2 | 177.1 | 0 | 0 | 0 | 112 | A118 E142 Y144 F149 N150 L157 V158 P159 | A118-L146 HydrophobicContact CB-CD2 4Å; E142-L146 WeakPolarHBondContact O-CB 3.38Å; E142-L146 WeakPolarHBondContact O-CG 3.39Å; E142-L146 PolarHBondContact O-N 3.46Å; Y144-L146 PolarHBondContact O-N 2.85Å; L146-F149 PolarHBondContact O-N 3.47Å; L146-N150 VanDerWaalsContact O-CB 3.26Å; L146-N150 WeakPolarHBondContact O-CB 3.1Å; L146-N150 PolarHBondContact O-N 3.38Å; L146-N150 PolarHBondContact O-ND2 3.47Å; L146-N150 PolarHBondContact O-OD1 3.18Å; L146-L157 HydrophobicContact CD2-CB 4.14Å; L146-L157 HydrophobicContact CD2-CD1 4.33Å; L146-V158 VanDerWaalsContact CD1-O 3.26Å; L146-V158 WeakPolarHBondContact CD1-O 3.31Å; L146-P159 HydrophobicContact CD1-CB 4.49Å; L146-P159 HydrophobicContact CD1-CG 4.27Å |
| 147 | N | 97.4 | Very high | 95.1 | Very high | 91 Ų | 91 | 64.6 Ų | 64.6 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 172.6 | -75.6 | -20.7 | 0 | 0 | 0 | 111.4 | S143 Y144 F149 N150 R151 | S143-N147 WeakPolarHBondContact O-CB 3.37Å; S143-N147 PolarHBondContact O-N 3.15Å; S143-N147 PolarHBondContact O-ND2 2.98Å; S143-N147 VanDerWaalsContact O-ND2 3.14Å; Y144-N147 PolarHBondContact O-N 2.98Å; N147-F149 VanDerWaalsContact C-N 3.34Å; N147-F149 PolarHBondContact O-N 2.83Å; N147-N150 PolarHBondContact O-N 2.95Å; N147-R151 VanDerWaalsContact O-CG 3.32Å; N147-R151 WeakPolarHBondContact O-CG 3.45Å; N147-R151 PolarHBondContact O-N 3.5Å |
| 148 | E | 97.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 64.4 Ų | 64.4 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.5 | -69.6 | -58.2 | 115.4 | 0 | 0 | 111 | I29 Y144 I145 N150 R151 F152 | I29-E148 HydrophobicContact CD1-CB 4.09Å; I29-E148 HydrophobicContact CG1-CB 4.19Å; I29-E148 HydrophobicContact CG2-CB 3.7Å; I29-E148 HydrophobicContact CG2-CG 4.3Å; Y144-E148 HydrophobicContact CD2-CG 4.38Å; Y144-E148 HydrophobicContact CE2-CG 3.93Å; Y144-E148 WeakPolarHBondContact O-CG 3.46Å; Y144-E148 PolarHBondContact O-N 3.4Å; I145-E148 PolarHBondContact O-N 3.23Å; E148-N150 VanDerWaalsContact C-N 3.33Å; E148-N150 PolarHBondContact O-N 3.46Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 2.91Å; E148-R151 VanDerWaalsContact O-N 3.14Å; E148-R151 WeakPolarHBondContact OE1-CD 3.3Å; E148-R151 IonicContact OE1-CZ 3.57Å; E148-R151 IonicContact OE1-NH1 2.87Å; E148-R151 PolarHBondContact OE1-NH1 3.43Å; E148-R151 IonicContact OE2-NH1 3.78Å; E148-F152 WeakPolarHBondContact O-CD2 3.41Å; E148-F152 PolarHBondContact O-N 2.71Å |
| 149 | F | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 175.9 | -176.1 | -83.9 | 0 | 0 | 0 | 112.3 | D22 T25 L26 I29 T114 I145 L146 N147 R151 F152 T153 L157 | D22-F149 HydrophobicContact CB-CE2 4.04Å; D22-F149 HydrophobicContact CB-CZ 3.94Å; T25-F149 HydrophobicContact CG2-CD2 3.66Å; T25-F149 HydrophobicContact CG2-CE2 3.86Å; L26-F149 HydrophobicContact CD2-CB 4.34Å; L26-F149 HydrophobicContact CD2-CD2 3.73Å; L26-F149 HydrophobicContact CD2-CE2 4.44Å; L26-F149 HydrophobicContact CD2-CG 4.27Å; L26-F149 HydrophobicContact CG-CD2 4.06Å; L26-F149 HydrophobicContact CG-CE2 4.36Å; I29-F149 HydrophobicContact CD1-CB 3.8Å; I29-F149 HydrophobicContact CD1-CD2 4.32Å; T114-F149 HydrophobicContact CG2-CD1 4.41Å; T114-F149 HydrophobicContact CG2-CD2 4.36Å; T114-F149 HydrophobicContact CG2-CE1 3.95Å; T114-F149 HydrophobicContact CG2-CE2 3.87Å; T114-F149 HydrophobicContact CG2-CZ 3.66Å; I145-F149 VanDerWaalsContact O-CB 3.31Å; I145-F149 WeakPolarHBondContact O-CB 3.26Å; I145-F149 PolarHBondContact O-N 3.19Å; L146-F149 PolarHBondContact O-N 3.47Å; N147-F149 VanDerWaalsContact C-N 3.34Å; N147-F149 PolarHBondContact O-N 2.83Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.44Å; F149-F152 PolarHBondContact O-N 2.85Å; F149-T153 HydrophobicContact CD1-CG2 4.26Å; F149-T153 WeakPolarHBondContact CD1-OG1 3.24Å; F149-T153 HydrophobicContact CE1-CG2 3.83Å; F149-T153 VanDerWaalsContact CE1-OG1 3.3Å; F149-T153 WeakPolarHBondContact CE1-OG1 3.46Å; F149-T153 HydrophobicContact CE2-CG2 4.15Å; F149-T153 HydrophobicContact CZ-CG2 3.77Å; F149-T153 WeakPolarHBondContact O-CB 3.38Å; F149-T153 WeakPolarHBondContact O-CG2 3.45Å; F149-T153 PolarHBondContact O-N 3.38Å; F149-T153 PolarHBondContact O-OG1 2.69Å; F149-L157 HydrophobicContact CD1-CD1 3.74Å; F149-L157 HydrophobicContact CD1-CG 4.48Å; F149-L157 HydrophobicContact CE1-CD1 3.66Å |
| 150 | N | 97 | Very high | 94 | Very high | 26 Ų | 26 | 66.4 Ų | 66.4 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.6 | -72.3 | -18 | 0 | 0 | 0 | 110.9 | L146 N147 E148 F152 T153 G154 R155 L157 | L146-N150 VanDerWaalsContact O-CB 3.26Å; L146-N150 WeakPolarHBondContact O-CB 3.1Å; L146-N150 PolarHBondContact O-N 3.38Å; L146-N150 PolarHBondContact O-ND2 3.47Å; L146-N150 PolarHBondContact O-OD1 3.18Å; N147-N150 PolarHBondContact O-N 2.95Å; E148-N150 VanDerWaalsContact C-N 3.33Å; E148-N150 PolarHBondContact O-N 3.46Å; N150-F152 PolarHBondContact O-N 3.22Å; N150-T153 PolarHBondContact O-N 2.84Å; N150-G154 WeakPolarHBondContact O-CA 3.19Å; N150-G154 PolarHBondContact O-N 3.01Å; N150-R155 WeakPolarHBondContact CB-O 3.48Å; N150-R155 VanDerWaalsContact OD1-C 3.32Å; N150-R155 PolarHBondContact OD1-O 3.36Å; N150-R155 VanDerWaalsContact OD1-O 3.14Å; N150-L157 PolarHBondContact ND2-N 2.74Å; N150-L157 VanDerWaalsContact ND2-N 3.2Å; N150-L157 PolarHBondContact ND2-O 3.13Å; N150-L157 WeakPolarHBondContact OD1-CB 3.23Å; N150-L157 PolarHBondContact OD1-N 2.87Å |
| 151 | R | 95.5 | Very high | 93.2 | Very high | 193 Ų | 193 | 60.1 Ų | 60.1 | 73% | 0.728 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 174.7 | -68.7 | 172.4 | 73.4 | -177.3 | 5.9 | 112.4 | N147 E148 F149 | N147-R151 VanDerWaalsContact O-CG 3.32Å; N147-R151 WeakPolarHBondContact O-CG 3.45Å; N147-R151 PolarHBondContact O-N 3.5Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 2.91Å; E148-R151 VanDerWaalsContact O-N 3.14Å; E148-R151 WeakPolarHBondContact OE1-CD 3.3Å; E148-R151 IonicContact OE1-CZ 3.57Å; E148-R151 IonicContact OE1-NH1 2.87Å; E148-R151 PolarHBondContact OE1-NH1 3.43Å; E148-R151 IonicContact OE2-NH1 3.78Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.44Å |
| 152 | F | 92.2 | Very high | 92 | Very high | 126 Ų | 126 | 65.6 Ų | 65.6 | 55% | 0.553 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -72.5 | -27.9 | 178.8 | -80.8 | -69 | 0 | 0 | 0 | 114.1 | T25 I29 E148 F149 N150 | T25-F152 HydrophobicContact CG2-CB 4.39Å; I29-F152 HydrophobicContact CD1-CD2 4.05Å; I29-F152 HydrophobicContact CG1-CD2 4.01Å; I29-F152 HydrophobicContact CG1-CE2 4Å; E148-F152 WeakPolarHBondContact O-CD2 3.41Å; E148-F152 PolarHBondContact O-N 2.71Å; F149-F152 PolarHBondContact O-N 2.85Å; N150-F152 PolarHBondContact O-N 3.22Å |
| 153 | T | 92.9 | Very high | 90 | Very high | 53 Ų | 53 | 71.1 Ų | 71.1 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -118.2 | -8.8 | -167.7 | 63.4 | 0 | 0 | 0 | 0 | 114.7 | F149 N150 R155 | F149-T153 HydrophobicContact CD1-CG2 4.26Å; F149-T153 WeakPolarHBondContact CD1-OG1 3.24Å; F149-T153 HydrophobicContact CE1-CG2 3.83Å; F149-T153 VanDerWaalsContact CE1-OG1 3.3Å; F149-T153 WeakPolarHBondContact CE1-OG1 3.46Å; F149-T153 HydrophobicContact CE2-CG2 4.15Å; F149-T153 HydrophobicContact CZ-CG2 3.77Å; F149-T153 WeakPolarHBondContact O-CB 3.38Å; F149-T153 WeakPolarHBondContact O-CG2 3.45Å; F149-T153 PolarHBondContact O-N 3.38Å; F149-T153 PolarHBondContact O-OG1 2.69Å; N150-T153 PolarHBondContact O-N 2.84Å; T153-R155 PolarHBondContact O-N 3.37Å; T153-R155 WeakPolarHBondContact OG1-CG 3.41Å |
| 154 | G | 91.9 | Very high | 87.6 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 75% | 0.753 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 68.4 | 13.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | N150 | N150-G154 WeakPolarHBondContact O-CA 3.19Å; N150-G154 PolarHBondContact O-N 3.01Å |
| 155 | R | 92.1 | Very high | 85 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 21% | 0.211 | 38% | 0.375 | C | S | . | . | trans | -85.6 | 171.2 | 177.5 | -62.4 | -162.7 | -162.6 | 166.8 | 13.5 | 111.5 | R18 D22 N150 T153 L157 | R18-R155 VanDerWaalsContact NE-NH2 3.11Å; R18-R155 VanDerWaalsContact NH2-CZ 3.32Å; R18-R155 VanDerWaalsContact NH2-NH1 3.16Å; D22-R155 IonicContact OD1-CZ 3.23Å; D22-R155 IonicContact OD1-NH1 3.76Å; D22-R155 IonicContact OD1-NH2 3.79Å; D22-R155 PolarHBondContact OD1-NH2 2.89Å; D22-R155 IonicContact OD2-CZ 3.79Å; D22-R155 VanDerWaalsContact OD2-CZ 3.32Å; D22-R155 IonicContact OD2-NH1 2.64Å; D22-R155 PolarHBondContact OD2-NH1 3.23Å; D22-R155 IonicContact OD2-NH2 2.83Å; D22-R155 PolarHBondContact OD2-NH2 3.19Å; N150-R155 WeakPolarHBondContact CB-O 3.48Å; N150-R155 VanDerWaalsContact OD1-C 3.32Å; N150-R155 PolarHBondContact OD1-O 3.36Å; N150-R155 VanDerWaalsContact OD1-O 3.14Å; T153-R155 PolarHBondContact O-N 3.37Å; T153-R155 WeakPolarHBondContact OG1-CG 3.41Å; R155-L157 HydrophobicContact CB-CG 4.31Å | ||
| 156 | Q | 92.4 | Very high | 82.1 | Confident | 183 Ų | 183 | 81 Ų | 81 | 86% | 0.855 | 42% | 0.419 | S | S | * | . | trans | -129.2 | 72.6 | 176.3 | -65.5 | -176.5 | -2.5 | 0 | 0 | 109.5 | ||||
| 157 | L | 93.3 | Very high | 78.9 | Confident | 18 Ų | 18 | 88.5 Ų | 88.5 | 9% | 0.094 | 46% | 0.458 | C | S | . | . | trans | -90.9 | 145.2 | 174.7 | -55.2 | -173.7 | 0 | 0 | 0 | 110.5 | G111 T114 L146 F149 N150 R155 | G111-L157 VanDerWaalsContact CA-CD2 3.42Å; T114-L157 HydrophobicContact CG2-CD1 3.51Å; L146-L157 HydrophobicContact CD2-CB 4.14Å; L146-L157 HydrophobicContact CD2-CD1 4.33Å; F149-L157 HydrophobicContact CD1-CD1 3.74Å; F149-L157 HydrophobicContact CD1-CG 4.48Å; F149-L157 HydrophobicContact CE1-CD1 3.66Å; N150-L157 PolarHBondContact ND2-N 2.74Å; N150-L157 VanDerWaalsContact ND2-N 3.2Å; N150-L157 PolarHBondContact ND2-O 3.13Å; N150-L157 WeakPolarHBondContact OD1-CB 3.23Å; N150-L157 PolarHBondContact OD1-N 2.87Å; R155-L157 HydrophobicContact CB-CG 4.31Å | ||
| 158 | V | 90.6 | Very high | 75.7 | Confident | 97 Ų | 97 | 91.1 Ų | 91.1 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | trans | -122 | 154.2 | 178.3 | -62.6 | 0 | 0 | 0 | 0 | 111 | S115 L146 | S115-V158 PolarHBondContact OG-O 3.47Å; L146-V158 VanDerWaalsContact CD1-O 3.26Å; L146-V158 WeakPolarHBondContact CD1-O 3.31Å | ||
| 159 | P | 89.6 | Confident | 74.6 | Confident | 37 Ų | 37 | 93.6 Ų | 93.6 | 24% | 0.24 | 52% | 0.523 | C | S | . | . | trans | -55.7 | 149.8 | 174.4 | -26.7 | 35.6 | 0 | 0 | 0 | 112.7 | L139 E142 S143 L146 | L139-P159 HydrophobicContact CD1-CB 3.68Å; L139-P159 HydrophobicContact CD1-CG 4.05Å; E142-P159 HydrophobicContact CB-CB 3.94Å; E142-P159 HydrophobicContact CB-CG 4.22Å; E142-P159 WeakPolarHBondContact OE2-CB 3.37Å; S143-P159 WeakPolarHBondContact OG-CG 3.32Å; L146-P159 HydrophobicContact CD1-CB 4.49Å; L146-P159 HydrophobicContact CD1-CG 4.27Å | ||
| 160 | L | 82.1 | Confident | 73.4 | Confident | 50 Ų | 50 | 98.5 Ų | 98.5 | 26% | 0.262 | 55% | 0.55 | S | S | . | * | trans | -100 | -15.5 | 177.8 | -66.7 | 175.3 | 0 | 0 | 0 | 112.8 | I112 V116 E142 K162 | I112-L160 HydrophobicContact CD1-CD2 4.34Å; V116-L160 HydrophobicContact CB-CD1 3.95Å; V116-L160 HydrophobicContact CG2-CD1 3.24Å; E142-L160 PolarHBondContact OE2-N 3.24Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 3.43Å | ||
| 161 | T | 77.4 | Confident | 72.1 | Confident | 14 Ų | 14 | 102.6 Ų | 102.6 | 9% | 0.086 | 57% | 0.573 | C | S | . | * | trans | -62.3 | 97.3 | 177.8 | -50.4 | 0 | 0 | 0 | 0 | 109.4 | H129 W135 E142 | H129-T161 HydrophobicContact CB-CG2 4.2Å; W135-T161 HydrophobicContact CG-CG2 4.29Å; E142-T161 PolarHBondContact OE1-OG1 3.11Å; E142-T161 WeakPolarHBondContact OE2-CB 3.45Å; E142-T161 PolarHBondContact OE2-N 3.33Å; E142-T161 PolarHBondContact OE2-OG1 3.29Å | ||
| 162 | K | 72.3 | Confident | 70.7 | Confident | 166 Ų | 166 | 97.2 Ų | 97.2 | 72% | 0.722 | 56% | 0.564 | S | S | * | * | trans | -70.6 | 145.6 | 169.5 | -66.5 | -178.8 | -178.5 | 178.2 | 0 | 107.8 | W135 L160 C164 | W135-K162 VanDerWaalsContact NE1-C 3.34Å; W135-K162 PolarHBondContact NE1-O 2.63Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 3.43Å; K162-C164 PolarHBondContact O-N 3.36Å | ||
| 163 | K | 53.8 | Low | 69.4 | Low | 117 Ų | 117 | 95.4 Ų | 95.4 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | trans | -52.2 | 138.6 | 170.9 | -161 | 168.3 | -173.7 | 173.6 | 0 | 108.2 | E132 W135 S165 | E132-K163 WeakPolarHBondContact OE1-CE 3.22Å; E132-K163 IonicContact OE1-NZ 2.67Å; E132-K163 PolarHBondContact OE1-NZ 3.22Å; E132-K163 VanDerWaalsContact OE2-CE 3.23Å; E132-K163 WeakPolarHBondContact OE2-CE 3.33Å; W135-K163 HydrophobicContact CD2-CG 4.47Å; W135-K163 VanDerWaalsContact CE2-CA 3.45Å; W135-K163 HydrophobicContact CE3-CG 4.48Å; W135-K163 HydrophobicContact CH2-CB 4.11Å; W135-K163 HydrophobicContact CH2-CD 4.19Å; W135-K163 HydrophobicContact CH2-CG 3.94Å; W135-K163 VanDerWaalsContact CZ2-CA 3.45Å; W135-K163 HydrophobicContact CZ2-CB 3.67Å; W135-K163 HydrophobicContact CZ2-CG 3.88Å; W135-K163 HydrophobicContact CZ3-CD 4.42Å; W135-K163 HydrophobicContact CZ3-CG 4.24Å; K163-S165 PolarHBondContact O-N 3.1Å | ||
| 164 | C | 46.2 | Very low | 67.8 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | trans | -64 | 83.6 | 166.1 | -157.9 | 0 | 0 | 0 | 0 | 105.9 | K162 Q166 | K162-C164 PolarHBondContact O-N 3.36Å; C164-Q166 PolarHBondContact O-N 3.44Å | ||
| 165 | S | 39.8 | Very low | 66.1 | Low | 81 Ų | 81 | 100.1 Ų | 100.1 | 57% | 0.566 | 57% | 0.569 | S | S | * | * | trans | -57.2 | 135.9 | 169.3 | -59.6 | 0 | 0 | 0 | 0 | 105.7 | K163 D167 | K163-S165 PolarHBondContact O-N 3.1Å; S165-D167 PolarHBondContact O-N 3.23Å | ||
| 166 | Q | 34.9 | Very low | 64.1 | Low | 195 Ų | 195 | 103.5 Ų | 103.5 | 91% | 0.911 | 60% | 0.596 | S | S | * | * | trans | -52.2 | 90.9 | 163.8 | -65.7 | 176.8 | -26.1 | 0 | 0 | 107.9 | C164 G168 | C164-Q166 PolarHBondContact O-N 3.44Å; Q166-G168 VanDerWaalsContact C-N 3.28Å; Q166-G168 PolarHBondContact O-N 3.41Å; Q166-G168 VanDerWaalsContact O-N 3.13Å | ||
| 167 | D | 29.5 | Very low | 61.8 | Low | 157 Ų | 157 | 96.8 Ų | 96.8 | 84% | 0.84 | 57% | 0.574 | S | S | * | * | trans | -77.8 | 90.1 | 165.2 | -79.2 | -18.3 | 0 | 0 | 0 | 105.8 | S165 | S165-D167 PolarHBondContact O-N 3.23Š| ||
| 168 | G | 31.6 | Very low | 58.9 | Low | 147 Ų | 147 | 104 Ų | 104 | 100% | 1.515 | 62% | 0.618 | S | S | * | * | trans | 60.8 | 0 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q166 | Q166-G168 VanDerWaalsContact C-N 3.28Å; Q166-G168 PolarHBondContact O-N 3.41Å; Q166-G168 VanDerWaalsContact O-N 3.13Å |
Retrieved 168 of 168 residues in 658.5 ms
(Link to these results)