| 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 | 28.3 | Very low | 56.1 | Low | 253 Ų | 253 | 90.5 Ų | 90.5 | 100% | 1.246 | 56% | 0.557 | S | S | * | * | 0 | 131.4 | 0 | -67.2 | 177.3 | 103.1 | 0 | 0 | 108.1 | |||||
| 2 | S | 36.4 | Very low | 58.2 | Low | 90 Ų | 90 | 84.8 Ų | 84.8 | 63% | 0.629 | 52% | 0.521 | S | S | * | . | trans | -78.4 | 143.5 | -138.1 | 44.7 | 0 | 0 | 0 | 0 | 119.1 | A4 A5 | S2-A4 PolarHBondContact O-N 3.31Å; S2-A5 PolarHBondContact O-N 3.12Å | ||
| 3 | D | 46.7 | Very low | 59.9 | Low | 116 Ų | 116 | 80.8 Ų | 80.8 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -20.7 | 171.3 | -76.3 | -52.3 | 0 | 0 | 0 | 115.5 | A5 A6 T7 N88 | D3-A5 PolarHBondContact O-N 3.49Å; D3-A6 PolarHBondContact O-N 2.98Å; D3-T7 PolarHBondContact O-N 2.85Å; D3-T7 PolarHBondContact O-OG1 3.03Å; D3-N88 PolarHBondContact OD1-ND2 2.05Å |
| 4 | A | 43.1 | Very low | 61.5 | Low | 63 Ų | 63 | 78.4 Ų | 78.4 | 52% | 0.521 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.6 | -34.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S2 T7 A8 | S2-A4 PolarHBondContact O-N 3.31Å; A4-T7 WeakPolarHBondContact CA-OG1 3.48Å; A4-T7 PolarHBondContact O-OG1 3.45Å; A4-T7 VanDerWaalsContact O-OG1 3.06Å; A4-A8 VanDerWaalsContact O-CB 3.23Å; A4-A8 WeakPolarHBondContact O-CB 3.23Å; A4-A8 PolarHBondContact O-N 2.94Å |
| 5 | A | 43.3 | Very low | 62.9 | Low | 54 Ų | 54 | 81.1 Ų | 81.1 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -76.4 | -27.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | S2 D3 K174 | S2-A5 PolarHBondContact O-N 3.12Å; D3-A5 PolarHBondContact O-N 3.49Å; A5-K174 PolarHBondContact O-NZ 2.97Å |
| 6 | A | 52.7 | Low | 64.3 | Low | 52 Ų | 52 | 77.6 Ų | 77.6 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -77.5 | -34 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D3 | D3-A6 PolarHBondContact O-N 2.98Å |
| 7 | T | 62.9 | Low | 65.4 | Low | 93 Ų | 93 | 75.9 Ų | 75.9 | 57% | 0.571 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -74.8 | -36.1 | 172.5 | 38.6 | 0 | 0 | 0 | 0 | 112.5 | D3 A4 C9 K10 | D3-T7 PolarHBondContact O-N 2.85Å; D3-T7 PolarHBondContact O-OG1 3.03Å; A4-T7 WeakPolarHBondContact CA-OG1 3.48Å; A4-T7 PolarHBondContact O-OG1 3.45Å; A4-T7 VanDerWaalsContact O-OG1 3.06Å; T7-C9 VanDerWaalsContact C-N 3.26Å; T7-C9 PolarHBondContact O-N 3.12Å; T7-C9 VanDerWaalsContact O-N 3.14Å; T7-K10 VanDerWaalsContact O-CB 3.32Å; T7-K10 WeakPolarHBondContact O-CB 3.05Å; T7-K10 PolarHBondContact O-N 3.4Å |
| 8 | A | 67.3 | Low | 66.5 | Low | 66 Ų | 66 | 73.5 Ų | 73.5 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -54.7 | -35.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A4 | A4-A8 VanDerWaalsContact O-CB 3.23Å; A4-A8 WeakPolarHBondContact O-CB 3.23Å; A4-A8 PolarHBondContact O-N 2.94Å |
| 9 | C | 77.8 | Confident | 67.6 | Low | 7 Ų | 7 | 71.7 Ų | 71.7 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 0.4 | -179.3 | -60.2 | 0 | 0 | 0 | 0 | 114 | T7 S11 V12 Y13 C171 | T7-C9 VanDerWaalsContact C-N 3.26Å; T7-C9 PolarHBondContact O-N 3.12Å; T7-C9 VanDerWaalsContact O-N 3.14Å; C9-S11 PolarHBondContact O-N 3.47Å; C9-V12 PolarHBondContact O-N 3.06Å; C9-Y13 HydrophobicContact CB-CD1 4.28Å; C9-Y13 HydrophobicContact CB-CD2 4.3Å; C9-Y13 HydrophobicContact CB-CE1 3.78Å; C9-Y13 HydrophobicContact CB-CE2 3.86Å; C9-Y13 WeakPolarHBondContact O-CD1 3.33Å; C9-Y13 PolarHBondContact O-N 2.94Å; C9-C171 WeakPolarHBondContact CA-SG 3.49Å; C9-C171 HydrophobicContact CB-CB 3.77Å; C9-C171 WeakPolarHBondContact CB-SG 3.41Å; C9-C171 WeakPolarHBondContact SG-CA 3.47Å; C9-C171 WeakPolarHBondContact SG-CB 3.31Å; C9-C171 CovalentContact SG-SG 2.05Å; C9-C171 PolarHBondContact SG-SG 3.47Å |
| 10 | K | 78.8 | Confident | 68.6 | Low | 130 Ų | 130 | 69.2 Ų | 69.2 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.6 | -49.8 | -174.4 | 178.3 | 171.7 | 176.3 | 155.9 | 0 | 112.2 | T7 V12 Y13 D14 | T7-K10 VanDerWaalsContact O-CB 3.32Å; T7-K10 WeakPolarHBondContact O-CB 3.05Å; T7-K10 PolarHBondContact O-N 3.4Å; K10-V12 VanDerWaalsContact C-N 3.3Å; K10-V12 PolarHBondContact O-N 3.32Å; K10-Y13 PolarHBondContact O-N 3.49Å; K10-D14 PolarHBondContact O-N 2.03Å |
| 11 | S | 79.8 | Confident | 69.5 | Low | 72 Ų | 72 | 66 Ų | 66 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 179 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | C9 Y13 D14 Q15 | C9-S11 PolarHBondContact O-N 3.47Å; S11-Y13 PolarHBondContact O-N 3.03Å; S11-D14 PolarHBondContact O-N 3.14Å; S11-Q15 WeakPolarHBondContact O-CG 3.32Å; S11-Q15 PolarHBondContact O-N 3.33Å |
| 12 | V | 80.8 | Confident | 72.4 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 13% | 0.127 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 178.5 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | C9 K10 Q15 F16 I167 C171 | C9-V12 PolarHBondContact O-N 3.06Å; K10-V12 VanDerWaalsContact C-N 3.3Å; K10-V12 PolarHBondContact O-N 3.32Å; V12-Q15 PolarHBondContact O-N 2.91Å; V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 PolarHBondContact O-N 2.93Å; V12-I167 HydrophobicContact CG1-CB 3.83Å; V12-I167 HydrophobicContact CG1-CD1 4.44Å; V12-I167 HydrophobicContact CG1-CG1 3.7Å; V12-I167 HydrophobicContact CG1-CG2 3.55Å; V12-C171 HydrophobicContact CG1-CB 4.5Å |
| 13 | Y | 80.7 | Confident | 75 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 175.6 | -64.7 | -11.5 | 0 | 0 | 0 | 112.6 | C9 K10 S11 Q15 F16 K17 C171 K174 L175 | C9-Y13 HydrophobicContact CB-CD1 4.28Å; C9-Y13 HydrophobicContact CB-CD2 4.3Å; C9-Y13 HydrophobicContact CB-CE1 3.78Å; C9-Y13 HydrophobicContact CB-CE2 3.86Å; C9-Y13 WeakPolarHBondContact O-CD1 3.33Å; C9-Y13 PolarHBondContact O-N 2.94Å; K10-Y13 PolarHBondContact O-N 3.49Å; S11-Y13 PolarHBondContact O-N 3.03Å; Y13-Q15 VanDerWaalsContact C-N 3.35Å; Y13-F16 PolarHBondContact O-N 3.28Å; Y13-K17 WeakPolarHBondContact O-CB 3.07Å; Y13-K17 WeakPolarHBondContact O-CG 3.48Å; Y13-K17 PolarHBondContact O-N 3.22Å; Y13-C171 HydrophobicContact CE1-CB 4.4Å; Y13-C171 PolarHBondContact OH-O 2.89Å; Y13-K174 WeakPolarHBondContact OH-CB 3.18Å; Y13-K174 WeakPolarHBondContact OH-CG 3.49Å; Y13-L175 HydrophobicContact CD1-CD1 4.28Å; Y13-L175 HydrophobicContact CE1-CB 3.77Å; Y13-L175 HydrophobicContact CE1-CD1 4.12Å; Y13-L175 HydrophobicContact CE1-CG 4.39Å; Y13-L175 PolarHBondContact OH-N 3Å |
| 14 | D | 82.1 | Confident | 77.1 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.5 | -39 | 174 | -75.2 | -30.7 | 0 | 0 | 0 | 111.2 | K10 S11 K17 A18 T98 | K10-D14 PolarHBondContact O-N 2.03Å; S11-D14 PolarHBondContact O-N 3.14Å; D14-K17 PolarHBondContact O-N 2.92Å; D14-A18 WeakPolarHBondContact O-CB 3.3Å; D14-A18 PolarHBondContact O-N 3.25Å; D14-T98 HydrophobicContact CB-CG2 4.07Å; D14-T98 PolarHBondContact OD1-OG1 2.93Å |
| 15 | Q | 83 | Confident | 79.4 | Confident | 119 Ų | 119 | 47.2 Ų | 47.2 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | 171.2 | -72.3 | 175.3 | 10.1 | 0 | 0 | 112.2 | S11 V12 Y13 A18 C19 | S11-Q15 WeakPolarHBondContact O-CG 3.32Å; S11-Q15 PolarHBondContact O-N 3.33Å; V12-Q15 PolarHBondContact O-N 2.91Å; Y13-Q15 VanDerWaalsContact C-N 3.35Å; Q15-A18 PolarHBondContact O-N 3.24Å; Q15-C19 VanDerWaalsContact O-CB 3.3Å; Q15-C19 WeakPolarHBondContact O-CB 3.02Å; Q15-C19 PolarHBondContact O-N 3.28Å |
| 16 | F | 84.7 | Confident | 81.8 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 11% | 0.114 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 175 | 175.5 | -99.8 | 0 | 0 | 0 | 111.5 | V12 Y13 A18 C19 M20 C163 V164 I167 L175 | V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 PolarHBondContact O-N 2.93Å; Y13-F16 PolarHBondContact O-N 3.28Å; F16-A18 PolarHBondContact O-N 3.03Å; F16-C19 PolarHBondContact O-N 2.78Å; F16-M20 HydrophobicContact CD1-CG 4.4Å; F16-M20 HydrophobicContact CD2-CG 4.32Å; F16-M20 HydrophobicContact CE1-CG 3.88Å; F16-M20 HydrophobicContact CE2-CG 3.75Å; F16-M20 HydrophobicContact CE2-SD 4.31Å; F16-M20 HydrophobicContact CZ-CG 3.52Å; F16-M20 HydrophobicContact CZ-SD 4.25Å; F16-M20 WeakPolarHBondContact O-CB 3.04Å; F16-M20 WeakPolarHBondContact O-CG 3.42Å; F16-M20 PolarHBondContact O-N 2.87Å; F16-C163 HydrophobicContact CD2-CB 3.72Å; F16-C163 HydrophobicContact CE2-CB 3.84Å; F16-V164 HydrophobicContact CD2-CG2 4.14Å; F16-V164 HydrophobicContact CE2-CG2 3.55Å; F16-V164 HydrophobicContact CZ-CG2 4.33Å; F16-I167 HydrophobicContact CB-CD1 3.95Å; F16-I167 HydrophobicContact CD2-CD1 3.84Å; F16-I167 HydrophobicContact CG-CD1 4.03Å; F16-L175 HydrophobicContact CD1-CD2 4.35Å; F16-L175 HydrophobicContact CE1-CD2 4.49Å; F16-L175 HydrophobicContact CG-CD2 4.39Å |
| 17 | K | 83.3 | Confident | 83.7 | Confident | 49 Ų | 49 | 51 Ų | 51 | 21% | 0.213 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.3 | -77 | 179.3 | -180 | -176.6 | 0 | 112 | Y13 D14 M20 G21 I94 | Y13-K17 WeakPolarHBondContact O-CB 3.07Å; Y13-K17 WeakPolarHBondContact O-CG 3.48Å; Y13-K17 PolarHBondContact O-N 3.22Å; D14-K17 PolarHBondContact O-N 2.92Å; K17-M20 PolarHBondContact O-N 3.41Å; K17-G21 PolarHBondContact O-N 2.74Å; K17-I94 PolarHBondContact NZ-O 3.09Å |
| 18 | A | 84.8 | Confident | 85 | Confident | 32 Ų | 32 | 47 Ų | 47 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D14 Q15 F16 G21 A22 T101 | D14-A18 WeakPolarHBondContact O-CB 3.3Å; D14-A18 PolarHBondContact O-N 3.25Å; Q15-A18 PolarHBondContact O-N 3.24Å; F16-A18 PolarHBondContact O-N 3.03Å; A18-G21 PolarHBondContact O-N 3.37Å; A18-A22 PolarHBondContact O-N 3.08Å; A18-T101 HydrophobicContact CB-CG2 3.81Å |
| 19 | C | 87.7 | Confident | 86.2 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | Q15 F16 A22 A23 C163 | Q15-C19 VanDerWaalsContact O-CB 3.3Å; Q15-C19 WeakPolarHBondContact O-CB 3.02Å; Q15-C19 PolarHBondContact O-N 3.28Å; F16-C19 PolarHBondContact O-N 2.78Å; C19-A22 PolarHBondContact O-N 3.29Å; C19-A23 PolarHBondContact O-N 3Å; C19-A23 VanDerWaalsContact O-N 3.11Å; C19-C163 VanDerWaalsContact C-SG 3.54Å; C19-C163 HydrophobicContact CB-CB 3.75Å; C19-C163 WeakPolarHBondContact CB-SG 3.49Å; C19-C163 VanDerWaalsContact SG-CA 3.55Å; C19-C163 WeakPolarHBondContact SG-CB 3.44Å; C19-C163 CovalentContact SG-SG 2.03Å; C19-C163 PolarHBondContact SG-SG 3.18Å |
| 20 | M | 87.7 | Confident | 86.9 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 176.8 | -75 | -57.5 | -58.3 | 0 | 0 | 112.8 | F16 K17 A23 F24 Y104 I156 K160 C163 | F16-M20 HydrophobicContact CD1-CG 4.4Å; F16-M20 HydrophobicContact CD2-CG 4.32Å; F16-M20 HydrophobicContact CE1-CG 3.88Å; F16-M20 HydrophobicContact CE2-CG 3.75Å; F16-M20 HydrophobicContact CE2-SD 4.31Å; F16-M20 HydrophobicContact CZ-CG 3.52Å; F16-M20 HydrophobicContact CZ-SD 4.25Å; F16-M20 WeakPolarHBondContact O-CB 3.04Å; F16-M20 WeakPolarHBondContact O-CG 3.42Å; F16-M20 PolarHBondContact O-N 2.87Å; K17-M20 PolarHBondContact O-N 3.41Å; M20-A23 PolarHBondContact O-N 2.91Å; M20-F24 VanDerWaalsContact O-CB 3.29Å; M20-F24 WeakPolarHBondContact O-CB 3.32Å; M20-F24 PolarHBondContact O-N 3.24Å; M20-Y104 HydrophobicContact CB-CE1 4.39Å; M20-Y104 WeakPolarHBondContact CB-OH 3.36Å; M20-I156 HydrophobicContact CE-CG2 3.94Å; M20-K160 HydrophobicContact CE-CB 4.23Å; M20-K160 WeakPolarHBondContact SD-CA 3.38Å; M20-K160 HydrophobicContact SD-CB 3.91Å; M20-K160 HydrophobicContact SD-CG 4.43Å; M20-C163 HydrophobicContact CG-CB 4.46Å; M20-C163 HydrophobicContact SD-CB 4.37Å |
| 21 | G | 88 | Confident | 87.4 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | K17 A18 F24 N25 | K17-G21 PolarHBondContact O-N 2.74Å; A18-G21 PolarHBondContact O-N 3.37Å; G21-F24 PolarHBondContact O-N 3.34Å; G21-N25 WeakPolarHBondContact O-CB 3.35Å; G21-N25 PolarHBondContact O-N 3.2Å; G21-N25 PolarHBondContact O-OD1 3.02Å |
| 22 | A | 89.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A18 C19 R26 | A18-A22 PolarHBondContact O-N 3.08Å; C19-A22 PolarHBondContact O-N 3.29Å; A22-R26 WeakPolarHBondContact O-CB 3.4Å; A22-R26 PolarHBondContact O-N 3.48Å; A22-R26 VanDerWaalsContact O-N 3.09Å |
| 23 | A | 91.1 | Very high | 88.2 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 12% | 0.116 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C19 M20 N25 R26 V27 A159 | C19-A23 PolarHBondContact O-N 3Å; C19-A23 VanDerWaalsContact O-N 3.11Å; M20-A23 PolarHBondContact O-N 2.91Å; A23-N25 PolarHBondContact O-N 3.39Å; A23-R26 WeakPolarHBondContact O-CB 3.45Å; A23-R26 PolarHBondContact O-N 3.19Å; A23-V27 PolarHBondContact O-N 3.39Å; A23-V27 VanDerWaalsContact O-N 3.11Å; A23-A159 HydrophobicContact CB-CB 3.4Å |
| 24 | F | 90.3 | Very high | 88.7 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 176.1 | 178.4 | -93 | 0 | 0 | 0 | 111.4 | M20 G21 R26 V27 V28 Y104 F106 A109 I156 | M20-F24 VanDerWaalsContact O-CB 3.29Å; M20-F24 WeakPolarHBondContact O-CB 3.32Å; M20-F24 PolarHBondContact O-N 3.24Å; G21-F24 PolarHBondContact O-N 3.34Å; F24-R26 VanDerWaalsContact C-N 3.3Å; F24-R26 PolarHBondContact O-N 3.14Å; F24-V27 PolarHBondContact O-N 2.99Å; F24-V28 HydrophobicContact CD1-CG2 3.9Å; F24-V28 HydrophobicContact CE1-CG2 3.56Å; F24-V28 HydrophobicContact CE2-CG2 4.37Å; F24-V28 HydrophobicContact CG-CG2 4.46Å; F24-V28 HydrophobicContact CZ-CG2 3.84Å; F24-V28 WeakPolarHBondContact O-CG2 3.47Å; F24-V28 PolarHBondContact O-N 3.2Å; F24-Y104 HydrophobicContact CB-CD1 3.71Å; F24-Y104 HydrophobicContact CB-CE1 3.97Å; F24-Y104 AromaticContact CD1-CD1 3.69Å; F24-Y104 HydrophobicContact CD1-CD1 3.69Å; F24-Y104 HydrophobicContact CD1-CG 4.35Å; F24-Y104 HydrophobicContact CD2-CD1 4.26Å; F24-Y104 HydrophobicContact CE1-CD1 4.33Å; F24-Y104 AromaticContact CG-CD1 3.63Å; F24-Y104 HydrophobicContact CG-CD1 3.63Å; F24-Y104 HydrophobicContact CG-CE1 4.27Å; F24-F106 HydrophobicContact CE1-CD1 4.38Å; F24-F106 HydrophobicContact CZ-CD1 4.18Å; F24-F106 HydrophobicContact CZ-CE1 4.42Å; F24-A109 HydrophobicContact CE1-CB 3.99Å; F24-A109 HydrophobicContact CE2-CB 4.48Å; F24-A109 HydrophobicContact CZ-CB 3.48Å; F24-A109 VanDerWaalsContact CZ-CB 3.48Å; F24-I156 HydrophobicContact CD2-CD1 4.47Å |
| 25 | N | 91.6 | Very high | 89.2 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | -179.9 | -69.8 | -2.8 | 0 | 0 | 0 | 112 | G21 A23 V28 Q29 S103 Y104 D105 | G21-N25 WeakPolarHBondContact O-CB 3.35Å; G21-N25 PolarHBondContact O-N 3.2Å; G21-N25 PolarHBondContact O-OD1 3.02Å; A23-N25 PolarHBondContact O-N 3.39Å; N25-V28 PolarHBondContact O-N 3.16Å; N25-Q29 WeakPolarHBondContact O-CB 3.48Å; N25-Q29 VanDerWaalsContact O-CG 3.24Å; N25-Q29 WeakPolarHBondContact O-CG 3.2Å; N25-Q29 PolarHBondContact O-N 3.28Å; N25-S103 PolarHBondContact ND2-O 3.1Å; N25-S103 PolarHBondContact OD1-O 3.46Å; N25-Y104 WeakPolarHBondContact OD1-CA 3.32Å; N25-D105 WeakPolarHBondContact OD1-CB 3.38Å; N25-D105 PolarHBondContact OD1-N 2.92Å |
| 26 | R | 92.8 | Very high | 89.6 | Confident | 172 Ų | 172 | 45.7 Ų | 45.7 | 65% | 0.649 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.7 | -45.9 | 175.3 | -174.6 | -174.2 | -57.1 | -166.2 | -0.5 | 111.8 | A22 A23 F24 Q29 K30 | A22-R26 WeakPolarHBondContact O-CB 3.4Å; A22-R26 PolarHBondContact O-N 3.48Å; A22-R26 VanDerWaalsContact O-N 3.09Å; A23-R26 WeakPolarHBondContact O-CB 3.45Å; A23-R26 PolarHBondContact O-N 3.19Å; F24-R26 VanDerWaalsContact C-N 3.3Å; F24-R26 PolarHBondContact O-N 3.14Å; R26-Q29 PolarHBondContact O-N 3.25Å; R26-K30 WeakPolarHBondContact O-CB 3.47Å; R26-K30 PolarHBondContact O-N 3.34Å |
| 27 | V | 92.8 | Very high | 90 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 177.6 | 167 | 0 | 0 | 0 | 0 | 110.9 | A23 F24 Q29 K30 A31 Y152 E155 I156 | A23-V27 PolarHBondContact O-N 3.39Å; A23-V27 VanDerWaalsContact O-N 3.11Å; F24-V27 PolarHBondContact O-N 2.99Å; V27-Q29 VanDerWaalsContact C-N 3.33Å; V27-Q29 PolarHBondContact O-N 3.49Å; V27-K30 PolarHBondContact O-N 2.91Å; V27-A31 WeakPolarHBondContact O-CB 3.44Å; V27-A31 PolarHBondContact O-N 2.89Å; V27-Y152 HydrophobicContact CG1-CD1 3.89Å; V27-Y152 HydrophobicContact CG1-CG 3.83Å; V27-E155 HydrophobicContact CG2-CB 4.03Å; V27-I156 HydrophobicContact CB-CD1 4.47Å; V27-I156 HydrophobicContact CB-CG1 4.31Å; V27-I156 HydrophobicContact CG1-CD1 4.12Å; V27-I156 HydrophobicContact CG1-CG1 4.33Å; V27-I156 HydrophobicContact CG2-CG1 3.95Å |
| 28 | V | 90.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 174.3 | 173.1 | 0 | 0 | 0 | 0 | 110 | F24 N25 K30 A31 D105 A109 K112 | F24-V28 HydrophobicContact CD1-CG2 3.9Å; F24-V28 HydrophobicContact CE1-CG2 3.56Å; F24-V28 HydrophobicContact CE2-CG2 4.37Å; F24-V28 HydrophobicContact CG-CG2 4.46Å; F24-V28 HydrophobicContact CZ-CG2 3.84Å; F24-V28 WeakPolarHBondContact O-CG2 3.47Å; F24-V28 PolarHBondContact O-N 3.2Å; N25-V28 PolarHBondContact O-N 3.16Å; V28-K30 PolarHBondContact O-N 3.39Å; V28-A31 PolarHBondContact O-N 3.19Å; V28-D105 HydrophobicContact CG1-CB 4.33Å; V28-D105 WeakPolarHBondContact CG1-OD2 3.45Å; V28-A109 HydrophobicContact CG2-CB 3.8Å; V28-K112 HydrophobicContact CG1-CD 4.4Å; V28-K112 VanDerWaalsContact O-CD 3.24Å; V28-K112 WeakPolarHBondContact O-CD 3.39Å; V28-K112 WeakPolarHBondContact O-CE 3.48Å; V28-K112 PolarHBondContact O-NZ 3.39Å |
| 29 | Q | 91.7 | Very high | 90.9 | Very high | 146 Ų | 146 | 48.7 Ų | 48.7 | 68% | 0.682 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.8 | -46.4 | 179.2 | -74.5 | 169.2 | -11.5 | 0 | 0 | 112.2 | N25 R26 V27 A31 K112 | N25-Q29 WeakPolarHBondContact O-CB 3.48Å; N25-Q29 VanDerWaalsContact O-CG 3.24Å; N25-Q29 WeakPolarHBondContact O-CG 3.2Å; N25-Q29 PolarHBondContact O-N 3.28Å; R26-Q29 PolarHBondContact O-N 3.25Å; V27-Q29 VanDerWaalsContact C-N 3.33Å; V27-Q29 PolarHBondContact O-N 3.49Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.39Å; Q29-K112 PolarHBondContact O-NZ 2.68Å; Q29-K112 VanDerWaalsContact O-NZ 3.16Å |
| 30 | K | 92.6 | Very high | 91.1 | Very high | 104 Ų | 104 | 46.8 Ų | 46.8 | 45% | 0.452 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.6 | -27.5 | -177.6 | -173 | 178.8 | 179.6 | -177.5 | 0 | 114.5 | R26 V27 V28 D32 Y152 E155 | R26-K30 WeakPolarHBondContact O-CB 3.47Å; R26-K30 PolarHBondContact O-N 3.34Å; V27-K30 PolarHBondContact O-N 2.91Å; V28-K30 PolarHBondContact O-N 3.39Å; K30-D32 PolarHBondContact O-N 3.45Å; K30-Y152 HydrophobicContact CD-CE1 4.36Å; K30-Y152 HydrophobicContact CG-CE1 4.3Å; K30-E155 IonicContact NZ-OE1 3.35Å; K30-E155 PolarHBondContact NZ-OE1 2.94Å; K30-E155 IonicContact NZ-OE2 3.69Å; K30-E155 PolarHBondContact NZ-OE2 3.32Å |
| 31 | A | 89.7 | Confident | 91.4 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | trans | -65.6 | 101.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V27 V28 Q29 V33 K112 Y152 | V27-A31 WeakPolarHBondContact O-CB 3.44Å; V27-A31 PolarHBondContact O-N 2.89Å; V28-A31 PolarHBondContact O-N 3.19Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.39Å; A31-V33 VanDerWaalsContact C-N 3.28Å; A31-V33 HydrophobicContact CB-CG2 4.45Å; A31-V33 PolarHBondContact O-N 3.11Å; A31-K112 HydrophobicContact CB-CD 3.74Å; A31-K112 WeakPolarHBondContact O-CD 3.47Å; A31-K112 WeakPolarHBondContact O-CE 3.34Å; A31-K112 PolarHBondContact O-NZ 3.43Å; A31-Y152 WeakPolarHBondContact CA-OH 3.46Å; A31-Y152 HydrophobicContact CB-CD2 4.22Å; A31-Y152 HydrophobicContact CB-CE1 4.39Å; A31-Y152 HydrophobicContact CB-CE2 3.71Å | ||
| 32 | D | 88.4 | Confident | 91.7 | Very high | 88 Ų | 88 | 54.4 Ų | 54.4 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | trans | -82.2 | 65.8 | -179.8 | -174.1 | 17.5 | 0 | 0 | 0 | 113.1 | K30 D34 S35 | K30-D32 PolarHBondContact O-N 3.45Å; D32-D34 VanDerWaalsContact C-N 3.32Å; D32-S35 VanDerWaalsContact OD1-CB 3.24Å; D32-S35 WeakPolarHBondContact OD1-CB 3.42Å; D32-S35 PolarHBondContact OD1-N 3.34Å; D32-S35 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 33 | V | 89.2 | Confident | 91.9 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72 | -29.9 | 177.1 | 180 | 0 | 0 | 0 | 0 | 111.3 | A31 S35 Q36 V37 K112 R115 M116 I119 | A31-V33 VanDerWaalsContact C-N 3.28Å; A31-V33 HydrophobicContact CB-CG2 4.45Å; A31-V33 PolarHBondContact O-N 3.11Å; V33-S35 PolarHBondContact O-N 3.45Å; V33-Q36 PolarHBondContact O-N 3.34Å; V33-V37 HydrophobicContact CG1-CG2 3.99Å; V33-V37 WeakPolarHBondContact O-CG2 3.46Å; V33-V37 PolarHBondContact O-N 3.09Å; V33-K112 HydrophobicContact CG2-CB 4.06Å; V33-K112 HydrophobicContact CG2-CD 4.49Å; V33-K112 HydrophobicContact CG2-CG 4.42Å; V33-R115 HydrophobicContact CG1-CB 3.63Å; V33-M116 HydrophobicContact CB-CG 4.27Å; V33-M116 HydrophobicContact CG1-CB 4.43Å; V33-M116 HydrophobicContact CG1-CG 3.55Å; V33-M116 HydrophobicContact CG2-CG 3.63Å; V33-M116 HydrophobicContact CG2-SD 4.07Å; V33-I119 HydrophobicContact CG1-CD1 4.39Å |
| 34 | D | 90.7 | Very high | 92 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 31% | 0.305 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | -172.2 | -70.5 | -2.8 | 0 | 0 | 0 | 111.5 | D32 V37 A38 R111 R115 | D32-D34 VanDerWaalsContact C-N 3.32Å; D34-V37 PolarHBondContact O-N 2.87Å; D34-A38 WeakPolarHBondContact O-CB 3.36Å; D34-A38 PolarHBondContact O-N 2.7Å; D34-R111 IonicContact OD2-NH2 2.69Å; D34-R111 PolarHBondContact OD2-NH2 2.88Å; D34-R115 WeakPolarHBondContact OD1-CD 3.05Å; D34-R115 IonicContact OD1-CZ 2.68Å; D34-R115 IonicContact OD1-NE 2.72Å; D34-R115 PolarHBondContact OD1-NE 2.93Å; D34-R115 IonicContact OD1-NH2 3.84Å |
| 35 | S | 92.7 | Very high | 92.1 | Very high | 44 Ų | 44 | 55 Ų | 55 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 173 | -179.9 | 0 | 0 | 0 | 0 | 112.5 | D32 V33 A38 K39 | D32-S35 VanDerWaalsContact OD1-CB 3.24Å; D32-S35 WeakPolarHBondContact OD1-CB 3.42Å; D32-S35 PolarHBondContact OD1-N 3.34Å; D32-S35 WeakPolarHBondContact OD2-CB 3.39Å; V33-S35 PolarHBondContact O-N 3.45Å; S35-A38 PolarHBondContact O-N 3.47Å; S35-K39 WeakPolarHBondContact O-CG 3.47Å; S35-K39 PolarHBondContact O-N 2.92Å; S35-K39 VanDerWaalsContact O-N 3.1Å |
| 36 | Q | 92.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 178.6 | -66.4 | 180 | -21 | 0 | 0 | 111.9 | V33 A38 K39 V40 I119 I141 S145 D148 | V33-Q36 PolarHBondContact O-N 3.34Å; Q36-A38 VanDerWaalsContact C-N 3.32Å; Q36-A38 PolarHBondContact O-N 2.83Å; Q36-K39 PolarHBondContact O-N 3.43Å; Q36-V40 PolarHBondContact O-N 3.38Å; Q36-I119 HydrophobicContact CB-CD1 3.64Å; Q36-I119 HydrophobicContact CB-CG1 4.4Å; Q36-I141 HydrophobicContact CB-CG2 4Å; Q36-I141 HydrophobicContact CG-CG2 4.41Å; Q36-S145 PolarHBondContact OE1-OG 2.83Å; Q36-D148 PolarHBondContact NE2-OD2 3Å |
| 37 | V | 92.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | V33 D34 K39 V40 Q41 F55 R115 L118 I119 | V33-V37 HydrophobicContact CG1-CG2 3.99Å; V33-V37 WeakPolarHBondContact O-CG2 3.46Å; V33-V37 PolarHBondContact O-N 3.09Å; D34-V37 PolarHBondContact O-N 2.87Å; V37-K39 VanDerWaalsContact C-N 3.34Å; V37-K39 PolarHBondContact O-N 2.96Å; V37-V40 PolarHBondContact O-N 3.31Å; V37-Q41 WeakPolarHBondContact O-CB 3.24Å; V37-Q41 PolarHBondContact O-N 3.42Å; V37-F55 HydrophobicContact CG1-CD1 3.87Å; V37-R115 HydrophobicContact CG2-CB 4.13Å; V37-R115 WeakPolarHBondContact CG2-O 3.2Å; V37-L118 HydrophobicContact CG1-CB 4.31Å; V37-L118 HydrophobicContact CG1-CD1 3.6Å; V37-L118 HydrophobicContact CG2-CB 4.26Å; V37-L118 HydrophobicContact CG2-CD1 4.34Å; V37-I119 HydrophobicContact CG2-CD1 4.29Å; V37-I119 HydrophobicContact CG2-CG1 3.87Å |
| 38 | A | 92.8 | Very high | 92.1 | Very high | 52 Ų | 52 | 57 Ų | 57 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D34 S35 Q36 Q41 K42 | D34-A38 WeakPolarHBondContact O-CB 3.36Å; D34-A38 PolarHBondContact O-N 2.7Å; S35-A38 PolarHBondContact O-N 3.47Å; Q36-A38 VanDerWaalsContact C-N 3.32Å; Q36-A38 PolarHBondContact O-N 2.83Å; A38-Q41 PolarHBondContact O-N 3.35Å; A38-K42 PolarHBondContact O-N 3.49Å |
| 39 | K | 94.1 | Very high | 92.1 | Very high | 118 Ų | 118 | 57 Ų | 57 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.5 | -66.6 | 172.7 | -174.9 | 179.5 | 0 | 111.7 | S35 Q36 V37 K42 C43 I141 | S35-K39 WeakPolarHBondContact O-CG 3.47Å; S35-K39 PolarHBondContact O-N 2.92Å; S35-K39 VanDerWaalsContact O-N 3.1Å; Q36-K39 PolarHBondContact O-N 3.43Å; V37-K39 VanDerWaalsContact C-N 3.34Å; V37-K39 PolarHBondContact O-N 2.96Å; K39-K42 WeakPolarHBondContact O-CB 3.24Å; K39-K42 PolarHBondContact O-N 2.85Å; K39-C43 PolarHBondContact O-N 3.42Å; K39-C43 VanDerWaalsContact O-N 3.12Å; K39-C43 PolarHBondContact O-SG 3.35Å; K39-C43 VanDerWaalsContact O-SG 3.39Å; K39-I141 HydrophobicContact CB-CD1 3.53Å; K39-I141 HydrophobicContact CB-CG1 4.11Å; K39-I141 HydrophobicContact CB-CG2 4.36Å |
| 40 | V | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 175.8 | 174 | 0 | 0 | 0 | 0 | 111 | Q36 V37 K42 C43 F44 F55 I119 R138 I141 | Q36-V40 PolarHBondContact O-N 3.38Å; V37-V40 PolarHBondContact O-N 3.31Å; V40-K42 PolarHBondContact O-N 3.26Å; V40-C43 WeakPolarHBondContact O-CB 3.31Å; V40-C43 PolarHBondContact O-N 2.02Å; V40-C43 VanDerWaalsContact O-N 3.07Å; V40-F44 HydrophobicContact CG1-CD2 3.81Å; V40-F44 HydrophobicContact CG1-CE2 3.69Å; V40-F44 WeakPolarHBondContact O-CD2 3.46Å; V40-F44 PolarHBondContact O-N 2.91Å; V40-F44 VanDerWaalsContact O-N 3.1Å; V40-F55 HydrophobicContact CB-CE1 4.43Å; V40-F55 HydrophobicContact CG1-CE1 3.93Å; V40-F55 HydrophobicContact CG1-CZ 4.17Å; V40-I119 HydrophobicContact CG2-CB 4.45Å; V40-I119 HydrophobicContact CG2-CG2 4.09Å; V40-R138 HydrophobicContact CG1-CG 3.99Å; V40-R138 HydrophobicContact CG2-CG 4.03Å; V40-I141 HydrophobicContact CG2-CB 4.04Å; V40-I141 HydrophobicContact CG2-CD1 3.89Å; V40-I141 HydrophobicContact CG2-CG2 3.74Å |
| 41 | Q | 93 | Very high | 90.7 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 23% | 0.229 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.3 | -40.2 | 175.7 | -173.1 | -176.7 | 11.1 | 0 | 0 | 111.3 | V37 A38 F44 K45 F55 | V37-Q41 WeakPolarHBondContact O-CB 3.24Å; V37-Q41 PolarHBondContact O-N 3.42Å; A38-Q41 PolarHBondContact O-N 3.35Å; Q41-F44 PolarHBondContact O-N 2.91Å; Q41-K45 HydrophobicContact CG-CD 4.36Å; Q41-K45 WeakPolarHBondContact O-CG 3.48Å; Q41-K45 PolarHBondContact O-N 3.44Å; Q41-F55 HydrophobicContact CB-CB 4.18Å; Q41-F55 HydrophobicContact CB-CD1 3.74Å; Q41-F55 HydrophobicContact CB-CE1 4.31Å; Q41-F55 HydrophobicContact CB-CG 3.98Å; Q41-F55 HydrophobicContact CG-CB 3.76Å; Q41-F55 HydrophobicContact CG-CD1 4.18Å; Q41-F55 HydrophobicContact CG-CD2 4.41Å; Q41-F55 HydrophobicContact CG-CG 3.88Å |
| 42 | K | 93.8 | Very high | 89.5 | Confident | 133 Ų | 133 | 58.2 Ų | 58.2 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 174.6 | -173.7 | 176.8 | 177.9 | -179.7 | 0 | 111.8 | A38 K39 V40 F44 K45 D46 | A38-K42 PolarHBondContact O-N 3.49Å; K39-K42 WeakPolarHBondContact O-CB 3.24Å; K39-K42 PolarHBondContact O-N 2.85Å; V40-K42 PolarHBondContact O-N 3.26Å; K42-F44 VanDerWaalsContact C-N 3.25Å; K42-F44 PolarHBondContact O-N 2.91Å; K42-K45 PolarHBondContact O-N 3.33Å; K42-K45 VanDerWaalsContact O-N 3.11Å; K42-D46 WeakPolarHBondContact CE-OD2 3.47Å; K42-D46 WeakPolarHBondContact CG-OD2 3.31Å; K42-D46 WeakPolarHBondContact O-CB 2.88Å; K42-D46 VanDerWaalsContact O-CG 3.25Å; K42-D46 PolarHBondContact O-N 3.01Å |
| 43 | C | 94.5 | Very high | 88.5 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -52.3 | -44.3 | 175.2 | -60 | 0 | 0 | 0 | 0 | 112.4 | K39 V40 G47 V134 C137 | K39-C43 PolarHBondContact O-N 3.42Å; K39-C43 VanDerWaalsContact O-N 3.12Å; K39-C43 PolarHBondContact O-SG 3.35Å; K39-C43 VanDerWaalsContact O-SG 3.39Å; V40-C43 WeakPolarHBondContact O-CB 3.31Å; V40-C43 PolarHBondContact O-N 2.02Å; V40-C43 VanDerWaalsContact O-N 3.07Å; C43-G47 PolarHBondContact O-N 3.11Å; C43-V134 HydrophobicContact CB-CG1 4.39Å; C43-C137 VanDerWaalsContact CA-SG 3.53Å; C43-C137 HydrophobicContact CB-CB 3.61Å; C43-C137 WeakPolarHBondContact CB-SG 3.5Å; C43-C137 WeakPolarHBondContact SG-CB 3.5Å; C43-C137 PolarHBondContact SG-O 2.63Å; C43-C137 CovalentContact SG-SG 2.04Å; C43-C137 PolarHBondContact SG-SG 2.78Å |
| 44 | F | 93.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.2 | -36 | 179.9 | -81.5 | -108.5 | 0 | 0 | 0 | 113.1 | V40 Q41 K42 G47 N48 C49 V51 F55 Q121 V123 S125 V134 | V40-F44 HydrophobicContact CG1-CD2 3.81Å; V40-F44 HydrophobicContact CG1-CE2 3.69Å; V40-F44 WeakPolarHBondContact O-CD2 3.46Å; V40-F44 PolarHBondContact O-N 2.91Å; V40-F44 VanDerWaalsContact O-N 3.1Å; Q41-F44 PolarHBondContact O-N 2.91Å; K42-F44 VanDerWaalsContact C-N 3.25Å; K42-F44 PolarHBondContact O-N 2.91Å; F44-G47 PolarHBondContact O-N 3.04Å; F44-N48 PolarHBondContact O-N 3.21Å; F44-C49 HydrophobicContact CB-CB 4.06Å; F44-C49 HydrophobicContact CD1-CB 3.7Å; F44-C49 HydrophobicContact CG-CB 4.32Å; F44-C49 VanDerWaalsContact O-CB 3.28Å; F44-C49 WeakPolarHBondContact O-CB 3.39Å; F44-C49 PolarHBondContact O-N 3.45Å; F44-C49 PolarHBondContact O-SG 2.9Å; F44-V51 HydrophobicContact CB-CG1 3.44Å; F44-V51 VanDerWaalsContact CB-CG1 3.44Å; F44-V51 HydrophobicContact CD1-CG1 4.3Å; F44-V51 HydrophobicContact CG-CG1 4.19Å; F44-F55 HydrophobicContact CD2-CZ 4.38Å; F44-Q121 HydrophobicContact CE1-CB 4.48Å; F44-Q121 HydrophobicContact CE1-CG 4.01Å; F44-Q121 HydrophobicContact CE2-CB 4.36Å; F44-Q121 HydrophobicContact CZ-CB 3.86Å; F44-Q121 HydrophobicContact CZ-CG 3.89Å; F44-Q121 WeakPolarHBondContact CZ-O 3.37Å; F44-V123 HydrophobicContact CZ-CG1 4.2Å; F44-S125 WeakPolarHBondContact CE1-OG 3.47Å; F44-V134 HydrophobicContact CD1-CG1 4.37Å; F44-V134 HydrophobicContact CD2-CG1 3.8Å; F44-V134 HydrophobicContact CE1-CG1 4.47Å; F44-V134 HydrophobicContact CE2-CG1 3.94Å; F44-V134 HydrophobicContact CG-CG1 4.03Å; F44-V134 HydrophobicContact CZ-CG1 4.27Å |
| 45 | K | 92.5 | Very high | 87 | Confident | 114 Ų | 114 | 58.7 Ų | 58.7 | 50% | 0.496 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 174.9 | -77.7 | -179.1 | 176 | -177.8 | 0 | 111.2 | Q41 K42 G47 N48 V51 | Q41-K45 HydrophobicContact CG-CD 4.36Å; Q41-K45 WeakPolarHBondContact O-CG 3.48Å; Q41-K45 PolarHBondContact O-N 3.44Å; K42-K45 PolarHBondContact O-N 3.33Å; K42-K45 VanDerWaalsContact O-N 3.11Å; K45-G47 PolarHBondContact O-N 3.38Å; K45-N48 PolarHBondContact O-N 3.43Å; K45-V51 HydrophobicContact CG-CG2 4.31Å |
| 46 | D | 93.5 | Very high | 85.7 | Confident | 111 Ų | 111 | 58.7 Ų | 58.7 | 59% | 0.594 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.4 | -29.2 | -179.4 | -63.5 | -8 | 0 | 0 | 0 | 111.4 | K42 N48 | K42-D46 WeakPolarHBondContact CE-OD2 3.47Å; K42-D46 WeakPolarHBondContact CG-OD2 3.31Å; K42-D46 WeakPolarHBondContact O-CB 2.88Å; K42-D46 VanDerWaalsContact O-CG 3.25Å; K42-D46 PolarHBondContact O-N 3.01Å; D46-N48 VanDerWaalsContact C-N 3.3Å; D46-N48 PolarHBondContact O-N 3.05Å |
| 47 | G | 92.7 | Very high | 84.1 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 5.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | C43 F44 K45 C49 T130 | C43-G47 PolarHBondContact O-N 3.11Å; F44-G47 PolarHBondContact O-N 3.04Å; K45-G47 PolarHBondContact O-N 3.38Å; G47-C49 PolarHBondContact O-N 3.45Å; G47-T130 WeakPolarHBondContact O-CB 3.39Å; G47-T130 PolarHBondContact O-OG1 2.74Å |
| 48 | N | 90.7 | Very high | 82.1 | Confident | 132 Ų | 132 | 70.9 Ų | 70.9 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 34.6 | -173.8 | -64.1 | -49.8 | 0 | 0 | 0 | 113.4 | F44 K45 D46 | F44-N48 PolarHBondContact O-N 3.21Å; K45-N48 PolarHBondContact O-N 3.43Å; D46-N48 VanDerWaalsContact C-N 3.3Å; D46-N48 PolarHBondContact O-N 3.05Å |
| 49 | C | 90.4 | Very high | 80 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | trans | -72 | 152.9 | 178.8 | -49 | 0 | 0 | 0 | 0 | 111 | F44 G47 V51 C126 | F44-C49 HydrophobicContact CB-CB 4.06Å; F44-C49 HydrophobicContact CD1-CB 3.7Å; F44-C49 HydrophobicContact CG-CB 4.32Å; F44-C49 VanDerWaalsContact O-CB 3.28Å; F44-C49 WeakPolarHBondContact O-CB 3.39Å; F44-C49 PolarHBondContact O-N 3.45Å; F44-C49 PolarHBondContact O-SG 2.9Å; G47-C49 PolarHBondContact O-N 3.45Å; C49-V51 PolarHBondContact O-N 2.63Å; C49-C126 HydrophobicContact CB-CB 3.85Å; C49-C126 WeakPolarHBondContact CB-SG 2.87Å; C49-C126 WeakPolarHBondContact SG-CB 3.12Å; C49-C126 CovalentContact SG-SG 2.02Å; C49-C126 PolarHBondContact SG-SG 3.49Å | ||
| 50 | K | 81.5 | Confident | 77.9 | Confident | 185 Ų | 185 | 66.9 Ų | 66.9 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | trans | -70.6 | 82.1 | 166.6 | -68.8 | -174.7 | 179.5 | -178.2 | 0 | 109.3 | A52 S125 | K50-A52 PolarHBondContact O-N 3.21Å; K50-S125 PolarHBondContact N-O 2.79Å | ||
| 51 | V | 73.7 | Confident | 75.8 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | trans | -74.8 | 103.3 | 170.3 | -85.5 | 0 | 0 | 0 | 0 | 108.6 | F44 K45 C49 F55 | F44-V51 HydrophobicContact CB-CG1 3.44Å; F44-V51 VanDerWaalsContact CB-CG1 3.44Å; F44-V51 HydrophobicContact CD1-CG1 4.3Å; F44-V51 HydrophobicContact CG-CG1 4.19Å; K45-V51 HydrophobicContact CG-CG2 4.31Å; C49-V51 PolarHBondContact O-N 2.63Å; V51-F55 HydrophobicContact CB-CD2 4.21Å; V51-F55 HydrophobicContact CB-CE2 4.49Å; V51-F55 HydrophobicContact CG1-CD2 3.81Å; V51-F55 HydrophobicContact CG1-CE2 3.71Å | ||
| 52 | A | 64 | Low | 73.6 | Confident | 54 Ų | 54 | 77.9 Ų | 77.9 | 45% | 0.446 | 41% | 0.407 | S | S | . | . | trans | -57 | 160.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | K50 Q54 | K50-A52 PolarHBondContact O-N 3.21Å; A52-Q54 HydrophobicContact CB-CB 4.43Å; A52-Q54 HydrophobicContact CB-CG 4.08Å; A52-Q54 PolarHBondContact O-N 3.39Å | ||
| 53 | N | 67.7 | Low | 71.6 | Confident | 109 Ų | 109 | 75.5 Ų | 75.5 | 58% | 0.583 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -57.5 | -2.1 | 174.1 | -70.8 | -13.8 | 0 | 0 | 0 | 114 | F55 S56 D59 | N53-F55 PolarHBondContact O-N 2.74Å; N53-F55 VanDerWaalsContact O-N 3.16Å; N53-S56 WeakPolarHBondContact O-CA 2.79Å; N53-S56 VanDerWaalsContact O-CB 3.26Å; N53-S56 WeakPolarHBondContact O-CB 3.42Å; N53-S56 PolarHBondContact O-N 3.35Å; N53-S56 PolarHBondContact O-OG 3.32Å; N53-D59 HydrophobicContact CB-CB 4.25Å; N53-D59 WeakPolarHBondContact CB-OD2 3.47Å; N53-D59 PolarHBondContact ND2-OD2 2.75Å |
| 54 | Q | 71.4 | Confident | 70 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 22% | 0.22 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -55.6 | -27.1 | 178 | 69.1 | -170.2 | 23.2 | 0 | 0 | 114.9 | A52 S56 L118 Q121 | A52-Q54 HydrophobicContact CB-CB 4.43Å; A52-Q54 HydrophobicContact CB-CG 4.08Å; A52-Q54 PolarHBondContact O-N 3.39Å; Q54-S56 VanDerWaalsContact C-N 3.33Å; Q54-L118 HydrophobicContact CB-CD2 4.03Å; Q54-L118 HydrophobicContact CG-CD2 3.83Å; Q54-L118 WeakPolarHBondContact O-CD1 3.37Å; Q54-Q121 VanDerWaalsContact NE2-NE2 3.2Å |
| 55 | F | 76.5 | Confident | 68.9 | Low | 4 Ų | 4 | 80.8 Ų | 80.8 | 2% | 0.018 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -78.2 | -19.1 | 173.7 | -71.2 | -82.6 | 0 | 0 | 0 | 113 | V37 V40 Q41 F44 V51 N53 L118 Q121 | V37-F55 HydrophobicContact CG1-CD1 3.87Å; V40-F55 HydrophobicContact CB-CE1 4.43Å; V40-F55 HydrophobicContact CG1-CE1 3.93Å; V40-F55 HydrophobicContact CG1-CZ 4.17Å; Q41-F55 HydrophobicContact CB-CB 4.18Å; Q41-F55 HydrophobicContact CB-CD1 3.74Å; Q41-F55 HydrophobicContact CB-CE1 4.31Å; Q41-F55 HydrophobicContact CB-CG 3.98Å; Q41-F55 HydrophobicContact CG-CB 3.76Å; Q41-F55 HydrophobicContact CG-CD1 4.18Å; Q41-F55 HydrophobicContact CG-CD2 4.41Å; Q41-F55 HydrophobicContact CG-CG 3.88Å; F44-F55 HydrophobicContact CD2-CZ 4.38Å; V51-F55 HydrophobicContact CB-CD2 4.21Å; V51-F55 HydrophobicContact CB-CE2 4.49Å; V51-F55 HydrophobicContact CG1-CD2 3.81Å; V51-F55 HydrophobicContact CG1-CE2 3.71Å; N53-F55 PolarHBondContact O-N 2.74Å; N53-F55 VanDerWaalsContact O-N 3.16Å; F55-L118 HydrophobicContact CD1-CB 4.24Å; F55-L118 HydrophobicContact CD1-CD1 4.18Å; F55-L118 HydrophobicContact CD1-CD2 4.45Å; F55-L118 HydrophobicContact CE1-CB 3.92Å; F55-L118 HydrophobicContact CE1-CD2 4.47Å; F55-Q121 HydrophobicContact CZ-CB 4.28Å; F55-Q121 HydrophobicContact CZ-CG 4.36Å |
| 56 | S | 65.7 | Low | 68.3 | Low | 44 Ų | 44 | 77.2 Ų | 77.2 | 31% | 0.308 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -76.2 | 148.1 | 174.8 | 80.2 | 0 | 0 | 0 | 0 | 110.5 | N53 Q54 H58 | N53-S56 WeakPolarHBondContact O-CA 2.79Å; N53-S56 VanDerWaalsContact O-CB 3.26Å; N53-S56 WeakPolarHBondContact O-CB 3.42Å; N53-S56 PolarHBondContact O-N 3.35Å; N53-S56 PolarHBondContact O-OG 3.32Å; Q54-S56 VanDerWaalsContact C-N 3.33Å; S56-H58 PolarHBondContact O-N 3.45Å |
| 57 | N | 59.5 | Low | 67.7 | Low | 105 Ų | 105 | 76 Ų | 76 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.5 | -177.3 | -69.7 | -16.6 | 0 | 0 | 0 | 114.2 | R115 | N57-R115 PolarHBondContact OD1-NH1 2.84Š|
| 58 | H | 49.3 | Very low | 67.2 | Low | 163 Ų | 163 | 83.1 Ų | 83.1 | 76% | 0.755 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -23 | -165.4 | -72.2 | -73 | 0 | 0 | 0 | 115.4 | S56 | S56-H58 PolarHBondContact O-N 3.45Š|
| 59 | D | 48.8 | Very low | 67 | Low | 36 Ų | 36 | 78.3 Ų | 78.3 | 19% | 0.193 | 45% | 0.452 | C | S | . | . | trans | -111.7 | 18.5 | -165.3 | -88 | -24 | 0 | 0 | 0 | 115.1 | N53 T61 K62 | N53-D59 HydrophobicContact CB-CB 4.25Å; N53-D59 WeakPolarHBondContact CB-OD2 3.47Å; N53-D59 PolarHBondContact ND2-OD2 2.75Å; D59-T61 PolarHBondContact O-N 3.3Å; D59-K62 PolarHBondContact O-N 3.18Å; D59-K62 VanDerWaalsContact OD1-CD 3.25Å; D59-K62 WeakPolarHBondContact OD1-CD 3.24Å; D59-K62 VanDerWaalsContact OD1-CE 3.22Å; D59-K62 WeakPolarHBondContact OD1-CE 3.48Å; D59-K62 IonicContact OD1-NZ 3.36Å; D59-K62 PolarHBondContact OD1-NZ 3.47Å; D59-K62 IonicContact OD2-NZ 2.82Å | ||
| 60 | A | 50.9 | Low | 66.8 | Low | 50 Ų | 50 | 78 Ų | 78 | 41% | 0.413 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -9.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 61 | T | 47.9 | Very low | 67 | Low | 118 Ų | 118 | 72.5 Ų | 72.5 | 72% | 0.724 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -11.9 | -175 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | D59 G63 | D59-T61 PolarHBondContact O-N 3.3Å; T61-G63 PolarHBondContact O-N 2.95Å |
| 62 | K | 47.2 | Very low | 67.6 | Low | 162 Ų | 162 | 74 Ų | 74 | 70% | 0.704 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -81.9 | 104.4 | -178.9 | -72 | -170.7 | -170.5 | 144.1 | 0 | 110.1 | D59 | D59-K62 PolarHBondContact O-N 3.18Å; D59-K62 VanDerWaalsContact OD1-CD 3.25Å; D59-K62 WeakPolarHBondContact OD1-CD 3.24Å; D59-K62 VanDerWaalsContact OD1-CE 3.22Å; D59-K62 WeakPolarHBondContact OD1-CE 3.48Å; D59-K62 IonicContact OD1-NZ 3.36Å; D59-K62 PolarHBondContact OD1-NZ 3.47Å; D59-K62 IonicContact OD2-NZ 2.82Å |
| 63 | G | 51.2 | Low | 68.8 | Low | 83 Ų | 83 | 75.8 Ų | 75.8 | 86% | 0.856 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 113.1 | -9.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | T61 | T61-G63 PolarHBondContact O-N 2.95Š|
| 64 | A | 61.7 | Low | 69.8 | Low | 19 Ų | 19 | 71.4 Ų | 71.4 | 16% | 0.157 | 41% | 0.411 | C | S | . | . | trans | -114.8 | 101.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K208 | A64-K208 HydrophobicContact CB-CG 4.16Š| ||
| 65 | S | 69.5 | Low | 70.6 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 68% | 0.678 | 40% | 0.403 | S | S | * | . | trans | -76.2 | 131.2 | 166.5 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 66 | C | 80.3 | Confident | 71.3 | Confident | 40 Ų | 40 | 74.3 Ų | 74.3 | 27% | 0.27 | 43% | 0.426 | S | S | . | . | trans | -89.3 | 113.9 | 173.5 | 169.8 | 0 | 0 | 0 | 0 | 108.5 | K68 C204 | C66-K68 VanDerWaalsContact C-N 3.32Å; C66-K68 PolarHBondContact O-N 3.36Å; C66-C204 HydrophobicContact CB-CB 3.91Å; C66-C204 WeakPolarHBondContact CB-SG 3.41Å; C66-C204 VanDerWaalsContact SG-CA 3.55Å; C66-C204 WeakPolarHBondContact SG-CB 3.39Å; C66-C204 CovalentContact SG-SG 2.04Å; C66-C204 PolarHBondContact SG-SG 3.11Å | ||
| 67 | N | 81.5 | Confident | 72.5 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | trans | -78.7 | 86.3 | 170.6 | -171.5 | -5.5 | 0 | 0 | 0 | 110 | G69 V70 E200 | N67-G69 PolarHBondContact O-N 3.49Å; N67-G69 WeakPolarHBondContact OD1-CA 3.42Å; N67-G69 PolarHBondContact OD1-N 2.94Å; N67-V70 HydrophobicContact CB-CG2 4.43Å; N67-V70 PolarHBondContact O-N 3.34Å; N67-V70 VanDerWaalsContact O-N 3.09Å; N67-E200 HydrophobicContact CB-CG 4.46Å; N67-E200 WeakPolarHBondContact CB-OE2 3.41Å; N67-E200 PolarHBondContact N-OE2 3.22Å | ||
| 68 | K | 81.5 | Confident | 74 | Confident | 156 Ų | 156 | 68.3 Ų | 68.3 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.8 | -19.4 | 174.1 | -64.6 | -177.8 | -177.1 | 175 | 0 | 113 | C66 V70 F71 T72 | C66-K68 VanDerWaalsContact C-N 3.32Å; C66-K68 PolarHBondContact O-N 3.36Å; K68-V70 VanDerWaalsContact C-N 3.29Å; K68-V70 PolarHBondContact O-N 3.32Å; K68-F71 PolarHBondContact O-N 2.83Å; K68-T72 WeakPolarHBondContact O-CB 3.36Å; K68-T72 PolarHBondContact O-N 3.37Å; K68-T72 PolarHBondContact O-OG1 2.85Å |
| 69 | G | 86.5 | Confident | 76 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.2 | -37.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N67 T72 Q73 | N67-G69 PolarHBondContact O-N 3.49Å; N67-G69 WeakPolarHBondContact OD1-CA 3.42Å; N67-G69 PolarHBondContact OD1-N 2.94Å; G69-T72 WeakPolarHBondContact O-CB 3.29Å; G69-T72 PolarHBondContact O-N 2.86Å; G69-Q73 WeakPolarHBondContact O-CG 3.33Å; G69-Q73 PolarHBondContact O-N 3.46Å |
| 70 | V | 86.3 | Confident | 78.1 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.03 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 178.5 | 169.5 | 0 | 0 | 0 | 0 | 112 | N67 K68 T72 Q73 L74 K196 Y197 E200 | N67-V70 HydrophobicContact CB-CG2 4.43Å; N67-V70 PolarHBondContact O-N 3.34Å; N67-V70 VanDerWaalsContact O-N 3.09Å; K68-V70 VanDerWaalsContact C-N 3.29Å; K68-V70 PolarHBondContact O-N 3.32Å; V70-T72 VanDerWaalsContact C-N 3.32Å; V70-T72 PolarHBondContact O-N 3.45Å; V70-Q73 PolarHBondContact O-N 2.87Å; V70-L74 PolarHBondContact O-N 3.47Å; V70-K196 HydrophobicContact CG1-CD 4.37Å; V70-K196 HydrophobicContact CG1-CG 4.11Å; V70-K196 VanDerWaalsContact CG2-CE 3.44Å; V70-K196 HydrophobicContact CG2-CG 4.4Å; V70-Y197 HydrophobicContact CG1-CD1 3.72Å; V70-Y197 HydrophobicContact CG1-CE1 3.56Å; V70-E200 HydrophobicContact CB-CB 4.38Å; V70-E200 HydrophobicContact CB-CG 4.09Å; V70-E200 HydrophobicContact CG1-CB 4.3Å; V70-E200 HydrophobicContact CG1-CG 4.24Å; V70-E200 HydrophobicContact CG2-CG 3.82Å |
| 71 | F | 85.6 | Confident | 80 | Confident | 69 Ų | 69 | 68 Ų | 68 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72.3 | -28.3 | 176.4 | -62.7 | -73.4 | 0 | 0 | 0 | 112.5 | K68 G75 E200 F201 C204 | K68-F71 PolarHBondContact O-N 2.83Å; F71-G75 PolarHBondContact O-N 3.18Å; F71-E200 HydrophobicContact CE2-CB 4.04Å; F71-E200 HydrophobicContact CZ-CB 4.3Å; F71-F201 HydrophobicContact CZ-CB 4.11Å; F71-C204 HydrophobicContact CE2-CB 4.41Å; F71-C204 WeakPolarHBondContact CE2-SG 3.48Å |
| 72 | T | 86.7 | Confident | 82 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 172.2 | -57 | 0 | 0 | 0 | 0 | 110.8 | K68 G69 V70 G75 Q76 | K68-T72 WeakPolarHBondContact O-CB 3.36Å; K68-T72 PolarHBondContact O-N 3.37Å; K68-T72 PolarHBondContact O-OG1 2.85Å; G69-T72 WeakPolarHBondContact O-CB 3.29Å; G69-T72 PolarHBondContact O-N 2.86Å; V70-T72 VanDerWaalsContact C-N 3.32Å; V70-T72 PolarHBondContact O-N 3.45Å; T72-G75 PolarHBondContact O-N 2.97Å; T72-Q76 WeakPolarHBondContact O-CG 3.4Å; T72-Q76 PolarHBondContact O-N 3.23Å |
| 73 | Q | 88.5 | Confident | 84.1 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.1 | -74.9 | 173.7 | -10.9 | 0 | 0 | 111.4 | G69 V70 G75 Q76 S77 K196 | G69-Q73 WeakPolarHBondContact O-CG 3.33Å; G69-Q73 PolarHBondContact O-N 3.46Å; V70-Q73 PolarHBondContact O-N 2.87Å; Q73-G75 VanDerWaalsContact C-N 3.32Å; Q73-G75 PolarHBondContact O-N 3.46Å; Q73-Q76 WeakPolarHBondContact O-CB 3.12Å; Q73-Q76 PolarHBondContact O-N 2.87Å; Q73-Q76 VanDerWaalsContact O-N 3.13Å; Q73-S77 PolarHBondContact O-N 3.5Å; Q73-K196 VanDerWaalsContact OE1-NZ 3.08Å |
| 74 | L | 88.7 | Confident | 85.8 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.1 | -47.4 | 174.2 | 177.8 | 60.4 | 0 | 0 | 0 | 111.4 | V70 Q76 S77 I78 E189 I190 Y197 | V70-L74 PolarHBondContact O-N 3.47Å; L74-Q76 VanDerWaalsContact C-N 3.32Å; L74-Q76 PolarHBondContact O-N 3.05Å; L74-S77 PolarHBondContact O-N 2.8Å; L74-I78 HydrophobicContact CD1-CD1 4.02Å; L74-I78 HydrophobicContact CD1-CG1 4.31Å; L74-I78 HydrophobicContact CG-CD1 3.92Å; L74-I78 WeakPolarHBondContact O-CB 3.42Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.36Å; L74-I78 PolarHBondContact O-N 3.23Å; L74-E189 HydrophobicContact CD1-CB 3.85Å; L74-E189 HydrophobicContact CD1-CG 3.6Å; L74-I190 HydrophobicContact CD1-CG1 4.08Å; L74-I190 HydrophobicContact CD2-CD1 4.23Å; L74-I190 HydrophobicContact CD2-CG1 4.25Å; L74-Y197 HydrophobicContact CB-CE1 3.87Å; L74-Y197 HydrophobicContact CD1-CE1 4.39Å; L74-Y197 HydrophobicContact CD2-CD1 4.34Å; L74-Y197 HydrophobicContact CD2-CE1 4.02Å; L74-Y197 HydrophobicContact CG-CE1 4.31Å |
| 75 | G | 88.7 | Confident | 86.8 | Confident | 5 Ų | 5 | 69.6 Ų | 69.6 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.1 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F71 T72 Q73 D79 | F71-G75 PolarHBondContact O-N 3.18Å; T72-G75 PolarHBondContact O-N 2.97Å; Q73-G75 VanDerWaalsContact C-N 3.32Å; Q73-G75 PolarHBondContact O-N 3.46Å; G75-D79 WeakPolarHBondContact O-CB 3.34Å; G75-D79 PolarHBondContact O-N 2.88Å |
| 76 | Q | 91.3 | Very high | 87.3 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 176.2 | -71.1 | 171.7 | -10.8 | 0 | 0 | 112.7 | T72 Q73 L74 D79 R80 | T72-Q76 WeakPolarHBondContact O-CG 3.4Å; T72-Q76 PolarHBondContact O-N 3.23Å; Q73-Q76 WeakPolarHBondContact O-CB 3.12Å; Q73-Q76 PolarHBondContact O-N 2.87Å; Q73-Q76 VanDerWaalsContact O-N 3.13Å; L74-Q76 VanDerWaalsContact C-N 3.32Å; L74-Q76 PolarHBondContact O-N 3.05Å; Q76-D79 PolarHBondContact O-N 3.45Å; Q76-R80 WeakPolarHBondContact O-CG 3.25Å; Q76-R80 PolarHBondContact O-N 3.43Å |
| 77 | S | 91.1 | Very high | 87.3 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 173.7 | -80.3 | 0 | 0 | 0 | 0 | 111.2 | Q73 L74 R80 C81 E189 | Q73-S77 PolarHBondContact O-N 3.5Å; L74-S77 PolarHBondContact O-N 2.8Å; S77-R80 PolarHBondContact O-N 3.19Å; S77-R80 PolarHBondContact OG-NH2 3.23Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 2.92Å; S77-E189 VanDerWaalsContact CB-OE2 3.23Å; S77-E189 WeakPolarHBondContact CB-OE2 3.5Å; S77-E189 PolarHBondContact OG-OE2 2.75Å |
| 78 | I | 90.6 | Very high | 87.1 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 173.6 | -70.1 | 166.9 | 0 | 0 | 0 | 110.8 | L74 R80 C81 M82 F89 Y91 L182 A186 | L74-I78 HydrophobicContact CD1-CD1 4.02Å; L74-I78 HydrophobicContact CD1-CG1 4.31Å; L74-I78 HydrophobicContact CG-CD1 3.92Å; L74-I78 WeakPolarHBondContact O-CB 3.42Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.36Å; L74-I78 PolarHBondContact O-N 3.23Å; I78-R80 PolarHBondContact O-N 3.46Å; I78-C81 PolarHBondContact O-N 2.88Å; I78-M82 HydrophobicContact CG2-CG 4.13Å; I78-M82 WeakPolarHBondContact O-CB 3.01Å; I78-M82 WeakPolarHBondContact O-CG 3.5Å; I78-M82 PolarHBondContact O-N 3.15Å; I78-F89 HydrophobicContact CG2-CE1 4.03Å; I78-F89 HydrophobicContact CG2-CZ 4.23Å; I78-Y91 HydrophobicContact CD1-CD2 4.28Å; I78-Y91 HydrophobicContact CD1-CE2 4.12Å; I78-Y91 HydrophobicContact CG2-CD2 4.01Å; I78-Y91 HydrophobicContact CG2-CG 4.46Å; I78-L182 HydrophobicContact CG2-CD1 3.33Å; I78-A186 HydrophobicContact CD1-CB 3.75Å; I78-A186 HydrophobicContact CG1-CB 4.09Å |
| 79 | D | 91.1 | Very high | 87.1 | Confident | 27 Ų | 27 | 64.5 Ų | 64.5 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.7 | -48.6 | 177.7 | -89.4 | -23.8 | 0 | 0 | 0 | 111.9 | G75 Q76 C81 M82 K83 F89 S90 Y91 | G75-D79 WeakPolarHBondContact O-CB 3.34Å; G75-D79 PolarHBondContact O-N 2.88Å; Q76-D79 PolarHBondContact O-N 3.45Å; D79-C81 VanDerWaalsContact C-N 3.33Å; D79-C81 PolarHBondContact O-N 3.28Å; D79-M82 PolarHBondContact O-N 2.93Å; D79-K83 VanDerWaalsContact O-CB 3.26Å; D79-K83 WeakPolarHBondContact O-CB 3.46Å; D79-K83 WeakPolarHBondContact O-CG 3.13Å; D79-K83 PolarHBondContact O-N 3.47Å; D79-F89 VanDerWaalsContact OD1-CD1 3.31Å; D79-F89 WeakPolarHBondContact OD1-CD1 2.82Å; D79-F89 VanDerWaalsContact OD1-CE1 3.32Å; D79-F89 WeakPolarHBondContact OD1-CE1 3.19Å; D79-S90 VanDerWaalsContact OD1-CA 3.28Å; D79-S90 WeakPolarHBondContact OD1-CA 3.33Å; D79-Y91 WeakPolarHBondContact OD1-CB 3.33Å; D79-Y91 PolarHBondContact OD1-N 3.12Å |
| 80 | R | 92.8 | Very high | 86.9 | Confident | 170 Ų | 170 | 65.1 Ų | 65.1 | 64% | 0.642 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 178.3 | -73.2 | -175.2 | -65.4 | -172.4 | 1.5 | 112.3 | Q76 S77 I78 | Q76-R80 WeakPolarHBondContact O-CG 3.25Å; Q76-R80 PolarHBondContact O-N 3.43Å; S77-R80 PolarHBondContact O-N 3.19Å; S77-R80 PolarHBondContact OG-NH2 3.23Å; I78-R80 PolarHBondContact O-N 3.46Å |
| 81 | C | 91.9 | Very high | 86.4 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | S77 I78 D79 C185 | S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 2.92Å; I78-C81 PolarHBondContact O-N 2.88Å; D79-C81 VanDerWaalsContact C-N 3.33Å; D79-C81 PolarHBondContact O-N 3.28Å; C81-C185 HydrophobicContact CB-CB 3.56Å; C81-C185 WeakPolarHBondContact CB-SG 3.21Å; C81-C185 VanDerWaalsContact SG-CA 3.54Å; C81-C185 WeakPolarHBondContact SG-CB 3.23Å; C81-C185 CovalentContact SG-SG 2.03Å; C81-C185 PolarHBondContact SG-SG 3.35Å |
| 82 | M | 89.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.8 | -36.3 | -178.8 | -72.8 | -62.2 | -69.1 | 0 | 0 | 113 | I78 D79 K84 K85 V86 F89 D181 L182 | I78-M82 HydrophobicContact CG2-CG 4.13Å; I78-M82 WeakPolarHBondContact O-CB 3.01Å; I78-M82 WeakPolarHBondContact O-CG 3.5Å; I78-M82 PolarHBondContact O-N 3.15Å; D79-M82 PolarHBondContact O-N 2.93Å; M82-K84 PolarHBondContact O-N 3.31Å; M82-K84 VanDerWaalsContact O-N 3.16Å; M82-K85 PolarHBondContact O-N 2.89Å; M82-V86 PolarHBondContact O-N 3.14Å; M82-F89 HydrophobicContact CB-CB 4.01Å; M82-F89 HydrophobicContact CB-CD1 3.31Å; M82-F89 HydrophobicContact CB-CD2 3.94Å; M82-F89 HydrophobicContact CB-CE1 3.67Å; M82-F89 HydrophobicContact CB-CE2 4.23Å; M82-F89 HydrophobicContact CB-CG 3.47Å; M82-F89 VanDerWaalsContact CB-CG 3.47Å; M82-F89 HydrophobicContact CB-CZ 4.13Å; M82-F89 HydrophobicContact CE-CD2 3.7Å; M82-F89 HydrophobicContact CE-CE2 3.68Å; M82-F89 HydrophobicContact CE-CG 4.41Å; M82-F89 HydrophobicContact CE-CZ 4.41Å; M82-F89 HydrophobicContact CG-CD1 3.9Å; M82-F89 HydrophobicContact CG-CD2 4.18Å; M82-F89 HydrophobicContact CG-CE1 3.7Å; M82-F89 HydrophobicContact CG-CE2 3.98Å; M82-F89 HydrophobicContact CG-CG 4.14Å; M82-F89 HydrophobicContact CG-CZ 3.77Å; M82-D181 HydrophobicContact CE-CB 4.03Å; M82-D181 VanDerWaalsContact SD-C 3.53Å; M82-D181 HydrophobicContact SD-CB 3.67Å; M82-L182 HydrophobicContact CE-CB 4.46Å; M82-L182 HydrophobicContact CG-CD1 4.27Å; M82-L182 HydrophobicContact SD-CB 4.31Å; M82-L182 PolarHBondContact SD-N 3.47Å; M82-L182 VanDerWaalsContact SD-N 3.43Å |
| 83 | K | 90.8 | Very high | 85.5 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 46% | 0.457 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -23.5 | -179.4 | -80.3 | 177.6 | 176.9 | -176.9 | 0 | 114.3 | D79 K85 V86 P87 F89 | D79-K83 VanDerWaalsContact O-CB 3.26Å; D79-K83 WeakPolarHBondContact O-CB 3.46Å; D79-K83 WeakPolarHBondContact O-CG 3.13Å; D79-K83 PolarHBondContact O-N 3.47Å; K83-K85 PolarHBondContact O-N 3.3Å; K83-V86 WeakPolarHBondContact CA-O 3.21Å; K83-P87 WeakPolarHBondContact O-CA 3.2Å; K83-F89 WeakPolarHBondContact CE-O 3.37Å |
| 84 | K | 86.9 | Confident | 84.7 | Confident | 189 Ų | 189 | 69.2 Ų | 69.2 | 82% | 0.822 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.3 | 171.9 | -65.9 | -175.8 | 179.3 | -175.5 | 0 | 112.8 | M82 | M82-K84 PolarHBondContact O-N 3.31Å; M82-K84 VanDerWaalsContact O-N 3.16Å |
| 85 | K | 83 | Confident | 83.8 | Confident | 122 Ų | 122 | 72.8 Ų | 72.8 | 53% | 0.53 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -35.1 | -177.3 | -59.1 | -172.1 | 175.4 | -163.7 | 0 | 113 | M82 K83 D181 | M82-K85 PolarHBondContact O-N 2.89Å; K83-K85 PolarHBondContact O-N 3.3Å; K85-D181 HydrophobicContact CD-CB 4.33Å; K85-D181 WeakPolarHBondContact CD-OD2 3.47Å; K85-D181 IonicContact NZ-OD1 2.65Å; K85-D181 PolarHBondContact NZ-OD1 3.23Å; K85-D181 IonicContact NZ-OD2 2.73Å; K85-D181 PolarHBondContact NZ-OD2 2.9Å |
| 86 | V | 80.9 | Confident | 82.8 | Confident | 36 Ų | 36 | 78.8 Ų | 78.8 | 22% | 0.218 | 39% | 0.385 | C | S | . | . | trans | -130.3 | 87.6 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 107.2 | M82 K83 N88 F89 Q178 | M82-V86 PolarHBondContact O-N 3.14Å; K83-V86 WeakPolarHBondContact CA-O 3.21Å; V86-N88 PolarHBondContact O-N 2.9Å; V86-F89 HydrophobicContact CB-CB 3.94Å; V86-F89 HydrophobicContact CG1-CB 3.93Å; V86-F89 WeakPolarHBondContact O-CB 3.31Å; V86-F89 PolarHBondContact O-N 3.31Å; V86-Q178 HydrophobicContact CG2-CG 4.41Å | ||
| 87 | P | 79.2 | Confident | 81.5 | Confident | 99 Ų | 99 | 79.9 Ų | 79.9 | 64% | 0.643 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -33.3 | -172.6 | -30.5 | 36.6 | 0 | 0 | 0 | 114.8 | K83 F89 | K83-P87 WeakPolarHBondContact O-CA 3.2Å; P87-F89 VanDerWaalsContact C-N 3.32Å; P87-F89 PolarHBondContact O-N 3.2Å |
| 88 | N | 78.4 | Confident | 80.1 | Confident | 120 Ų | 120 | 80 Ų | 80 | 64% | 0.642 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 9.7 | 179.6 | -64.5 | -25.3 | 0 | 0 | 0 | 113.9 | D3 V86 | D3-N88 PolarHBondContact OD1-ND2 2.05Å; V86-N88 PolarHBondContact O-N 2.9Å |
| 89 | F | 81.9 | Confident | 78.6 | Confident | 16 Ų | 16 | 85.6 Ų | 85.6 | 7% | 0.07 | 43% | 0.425 | C | S | . | . | trans | -65.8 | 138.8 | 178.9 | -178.8 | -85.6 | 0 | 0 | 0 | 111.6 | I78 D79 M82 K83 V86 P87 Y91 I94 L182 | I78-F89 HydrophobicContact CG2-CE1 4.03Å; I78-F89 HydrophobicContact CG2-CZ 4.23Å; D79-F89 VanDerWaalsContact OD1-CD1 3.31Å; D79-F89 WeakPolarHBondContact OD1-CD1 2.82Å; D79-F89 VanDerWaalsContact OD1-CE1 3.32Å; D79-F89 WeakPolarHBondContact OD1-CE1 3.19Å; M82-F89 HydrophobicContact CB-CB 4.01Å; M82-F89 HydrophobicContact CB-CD1 3.31Å; M82-F89 HydrophobicContact CB-CD2 3.94Å; M82-F89 HydrophobicContact CB-CE1 3.67Å; M82-F89 HydrophobicContact CB-CE2 4.23Å; M82-F89 HydrophobicContact CB-CG 3.47Å; M82-F89 VanDerWaalsContact CB-CG 3.47Å; M82-F89 HydrophobicContact CB-CZ 4.13Å; M82-F89 HydrophobicContact CE-CD2 3.7Å; M82-F89 HydrophobicContact CE-CE2 3.68Å; M82-F89 HydrophobicContact CE-CG 4.41Å; M82-F89 HydrophobicContact CE-CZ 4.41Å; M82-F89 HydrophobicContact CG-CD1 3.9Å; M82-F89 HydrophobicContact CG-CD2 4.18Å; M82-F89 HydrophobicContact CG-CE1 3.7Å; M82-F89 HydrophobicContact CG-CE2 3.98Å; M82-F89 HydrophobicContact CG-CG 4.14Å; M82-F89 HydrophobicContact CG-CZ 3.77Å; K83-F89 WeakPolarHBondContact CE-O 3.37Å; V86-F89 HydrophobicContact CB-CB 3.94Å; V86-F89 HydrophobicContact CG1-CB 3.93Å; V86-F89 WeakPolarHBondContact O-CB 3.31Å; V86-F89 PolarHBondContact O-N 3.31Å; P87-F89 VanDerWaalsContact C-N 3.32Å; P87-F89 PolarHBondContact O-N 3.2Å; F89-Y91 VanDerWaalsContact CE1-N 3.31Å; F89-I94 HydrophobicContact CD2-CD1 4.13Å; F89-I94 HydrophobicContact CE2-CD1 3.23Å; F89-I94 HydrophobicContact CZ-CD1 3.46Å; F89-I94 VanDerWaalsContact CZ-CD1 3.46Å; F89-L182 HydrophobicContact CE1-CD1 4.46Å; F89-L182 HydrophobicContact CE2-CD1 4.19Å; F89-L182 HydrophobicContact CZ-CD1 3.57Å | ||
| 90 | S | 80.6 | Confident | 77 | Confident | 42 Ų | 42 | 88.6 Ų | 88.6 | 29% | 0.294 | 46% | 0.462 | S | S | . | . | trans | -144 | 113.9 | 168.6 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | D79 K92 A93 I94 | D79-S90 VanDerWaalsContact OD1-CA 3.28Å; D79-S90 WeakPolarHBondContact OD1-CA 3.33Å; S90-K92 VanDerWaalsContact C-N 3.25Å; S90-K92 PolarHBondContact O-N 2.77Å; S90-A93 WeakPolarHBondContact O-CA 3.46Å; S90-A93 WeakPolarHBondContact O-CB 3.25Å; S90-A93 PolarHBondContact O-N 2.96Å; S90-A93 PolarHBondContact OG-N 2.63Å; S90-I94 PolarHBondContact O-N 3Å | ||
| 91 | Y | 77.5 | Confident | 75.5 | Confident | 69 Ų | 69 | 82.1 Ų | 82.1 | 27% | 0.271 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.5 | -44.5 | 172 | -177.4 | -102.8 | 0 | 0 | 0 | 110.3 | I78 D79 F89 A93 I94 M95 L182 | I78-Y91 HydrophobicContact CD1-CD2 4.28Å; I78-Y91 HydrophobicContact CD1-CE2 4.12Å; I78-Y91 HydrophobicContact CG2-CD2 4.01Å; I78-Y91 HydrophobicContact CG2-CG 4.46Å; D79-Y91 WeakPolarHBondContact OD1-CB 3.33Å; D79-Y91 PolarHBondContact OD1-N 3.12Å; F89-Y91 VanDerWaalsContact CE1-N 3.31Å; Y91-A93 VanDerWaalsContact C-N 3.29Å; Y91-A93 PolarHBondContact O-N 3.19Å; Y91-I94 WeakPolarHBondContact O-CB 3.44Å; Y91-I94 PolarHBondContact O-N 3.1Å; Y91-I94 VanDerWaalsContact O-N 3.09Å; Y91-M95 HydrophobicContact CD1-CG 4.22Å; Y91-M95 HydrophobicContact CE1-CG 3.83Å; Y91-M95 HydrophobicContact CE2-CG 4.39Å; Y91-M95 WeakPolarHBondContact O-CG 3.46Å; Y91-M95 PolarHBondContact O-N 2.82Å; Y91-L182 HydrophobicContact CD2-CD1 4.43Å |
| 92 | K | 78.5 | Confident | 74 | Confident | 144 Ų | 144 | 83.1 Ų | 83.1 | 63% | 0.626 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -56.6 | -41.9 | 174 | -172.3 | 177.9 | -178.1 | 177.9 | 0 | 111.7 | S90 M95 K96 | S90-K92 VanDerWaalsContact C-N 3.25Å; S90-K92 PolarHBondContact O-N 2.77Å; K92-M95 PolarHBondContact O-N 3.35Å; K92-K96 WeakPolarHBondContact O-CG 3.25Å; K92-K96 PolarHBondContact O-N 3.47Å |
| 93 | A | 74.9 | Confident | 73.2 | Confident | 50 Ų | 50 | 85.8 Ų | 85.8 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.8 | -28.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S90 Y91 | S90-A93 WeakPolarHBondContact O-CA 3.46Å; S90-A93 WeakPolarHBondContact O-CB 3.25Å; S90-A93 PolarHBondContact O-N 2.96Å; S90-A93 PolarHBondContact OG-N 2.63Å; Y91-A93 VanDerWaalsContact C-N 3.29Å; Y91-A93 PolarHBondContact O-N 3.19Å |
| 94 | I | 71.4 | Confident | 72.8 | Confident | 67 Ų | 67 | 84.3 Ų | 84.3 | 34% | 0.344 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 172.2 | -66.9 | 172.5 | 0 | 0 | 0 | 110.6 | K17 F89 S90 Y91 K96 | K17-I94 PolarHBondContact NZ-O 3.09Å; F89-I94 HydrophobicContact CD2-CD1 4.13Å; F89-I94 HydrophobicContact CE2-CD1 3.23Å; F89-I94 HydrophobicContact CZ-CD1 3.46Å; F89-I94 VanDerWaalsContact CZ-CD1 3.46Å; S90-I94 PolarHBondContact O-N 3Å; Y91-I94 WeakPolarHBondContact O-CB 3.44Å; Y91-I94 PolarHBondContact O-N 3.1Å; Y91-I94 VanDerWaalsContact O-N 3.09Å; I94-K96 VanDerWaalsContact C-N 3.34Å |
| 95 | M | 68.8 | Low | 72.8 | Confident | 92 Ų | 92 | 77.9 Ų | 77.9 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -77.2 | -16.5 | 178.9 | -62.5 | -56.7 | -68.3 | 0 | 0 | 113.8 | Y91 K92 F106 | Y91-M95 HydrophobicContact CD1-CG 4.22Å; Y91-M95 HydrophobicContact CE1-CG 3.83Å; Y91-M95 HydrophobicContact CE2-CG 4.39Å; Y91-M95 WeakPolarHBondContact O-CG 3.46Å; Y91-M95 PolarHBondContact O-N 2.82Å; K92-M95 PolarHBondContact O-N 3.35Å; M95-F106 HydrophobicContact CE-CE2 4.14Å; M95-F106 HydrophobicContact CE-CZ 3.99Å |
| 96 | K | 68.4 | Low | 72.8 | Confident | 131 Ų | 131 | 77.1 Ų | 77.1 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -65.7 | 138.6 | 174 | -85.1 | -179.8 | -177.7 | -173 | 0 | 110.2 | K92 I94 T98 | K92-K96 WeakPolarHBondContact O-CG 3.25Å; K92-K96 PolarHBondContact O-N 3.47Å; I94-K96 VanDerWaalsContact C-N 3.34Å; K96-T98 PolarHBondContact O-N 3.45Å |
| 97 | K | 64.1 | Low | 73 | Confident | 130 Ų | 130 | 79.1 Ų | 79.1 | 57% | 0.565 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 131 | 170 | -177.9 | -178.6 | -176.4 | -178.9 | 0 | 110 | T101 | K97-T101 WeakPolarHBondContact CE-O 3.46Š|
| 98 | T | 61.7 | Low | 73.4 | Confident | 21 Ų | 21 | 75.1 Ų | 75.1 | 13% | 0.129 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 127.5 | 167.2 | -58.8 | 0 | 0 | 0 | 0 | 108.2 | D14 K96 G100 T101 | D14-T98 HydrophobicContact CB-CG2 4.07Å; D14-T98 PolarHBondContact OD1-OG1 2.93Å; K96-T98 PolarHBondContact O-N 3.45Å; T98-G100 PolarHBondContact O-N 2.82Å; T98-T101 WeakPolarHBondContact CB-OG1 3.4Å; T98-T101 HydrophobicContact CG2-CG2 3.97Å; T98-T101 PolarHBondContact O-N 3.47Å; T98-T101 VanDerWaalsContact O-N 3.14Å; T98-T101 PolarHBondContact O-OG1 3.26Å |
| 99 | P | 58.1 | Low | 73.8 | Confident | 123 Ų | 123 | 70 Ų | 70 | 80% | 0.799 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 136 | 178.7 | -27 | 34.6 | 0 | 0 | 0 | 111.8 | T101 | P99-T101 VanDerWaalsContact C-N 3.26Å; P99-T101 PolarHBondContact O-N 3.28Å |
| 100 | G | 58.4 | Low | 73.9 | Confident | 89 Ų | 89 | 74.3 Ų | 74.3 | 92% | 0.918 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -4.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | T98 | T98-G100 PolarHBondContact O-N 2.82Š|
| 101 | T | 61.4 | Low | 74.2 | Confident | 35 Ų | 35 | 78.8 Ų | 78.8 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -99.4 | 153.6 | 179.1 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | A18 K97 T98 P99 S103 | A18-T101 HydrophobicContact CB-CG2 3.81Å; K97-T101 WeakPolarHBondContact CE-O 3.46Å; T98-T101 WeakPolarHBondContact CB-OG1 3.4Å; T98-T101 HydrophobicContact CG2-CG2 3.97Å; T98-T101 PolarHBondContact O-N 3.47Å; T98-T101 VanDerWaalsContact O-N 3.14Å; T98-T101 PolarHBondContact O-OG1 3.26Å; P99-T101 VanDerWaalsContact C-N 3.26Å; P99-T101 PolarHBondContact O-N 3.28Å; T101-S103 PolarHBondContact O-N 3.17Å |
| 102 | A | 61.3 | Low | 74.8 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 54% | 0.537 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 120.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 103 | S | 71.1 | Confident | 75.2 | Confident | 57 Ų | 57 | 74.1 Ų | 74.1 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 151.5 | 172.5 | 44.8 | 0 | 0 | 0 | 0 | 109.8 | N25 T101 D105 | N25-S103 PolarHBondContact ND2-O 3.1Å; N25-S103 PolarHBondContact OD1-O 3.46Å; T101-S103 PolarHBondContact O-N 3.17Å; S103-D105 PolarHBondContact O-N 2.83Å |
| 104 | Y | 82.5 | Confident | 75.8 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 29% | 0.286 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 126.4 | 163.4 | -66.5 | -93.5 | 0 | 0 | 0 | 109.4 | M20 F24 N25 F106 | M20-Y104 HydrophobicContact CB-CE1 4.39Å; M20-Y104 WeakPolarHBondContact CB-OH 3.36Å; F24-Y104 HydrophobicContact CB-CD1 3.71Å; F24-Y104 HydrophobicContact CB-CE1 3.97Å; F24-Y104 AromaticContact CD1-CD1 3.69Å; F24-Y104 HydrophobicContact CD1-CD1 3.69Å; F24-Y104 HydrophobicContact CD1-CG 4.35Å; F24-Y104 HydrophobicContact CD2-CD1 4.26Å; F24-Y104 HydrophobicContact CE1-CD1 4.33Å; F24-Y104 AromaticContact CG-CD1 3.63Å; F24-Y104 HydrophobicContact CG-CD1 3.63Å; F24-Y104 HydrophobicContact CG-CE1 4.27Å; N25-Y104 WeakPolarHBondContact OD1-CA 3.32Å; Y104-F106 VanDerWaalsContact CB-CE2 3.46Å; Y104-F106 VanDerWaalsContact CB-CZ 3.43Å; Y104-F106 HydrophobicContact CD1-CE1 4.47Å; Y104-F106 HydrophobicContact CD1-CZ 4.32Å; Y104-F106 HydrophobicContact CD2-CE2 4.29Å; Y104-F106 HydrophobicContact CD2-CZ 4.09Å; Y104-F106 HydrophobicContact CG-CE1 4.19Å; Y104-F106 HydrophobicContact CG-CE2 4.08Å; Y104-F106 AromaticContact CG-CZ 3.71Å; Y104-F106 HydrophobicContact CG-CZ 3.71Å; Y104-F106 PolarHBondContact O-N 3.23Å |
| 105 | D | 86.4 | Confident | 76.6 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | trans | -75.8 | 65 | 176.1 | -176.7 | 15.3 | 0 | 0 | 0 | 110.1 | N25 V28 S103 A107 G108 A109 | N25-D105 WeakPolarHBondContact OD1-CB 3.38Å; N25-D105 PolarHBondContact OD1-N 2.92Å; V28-D105 HydrophobicContact CG1-CB 4.33Å; V28-D105 WeakPolarHBondContact CG1-OD2 3.45Å; S103-D105 PolarHBondContact O-N 2.83Å; D105-A107 PolarHBondContact O-N 3.32Å; D105-G108 PolarHBondContact O-N 3.01Å; D105-G108 WeakPolarHBondContact OD1-CA 3.5Å; D105-G108 PolarHBondContact OD1-N 3.36Å; D105-G108 WeakPolarHBondContact OD2-CA 3.47Å; D105-A109 VanDerWaalsContact O-CB 3.3Å; D105-A109 WeakPolarHBondContact O-CB 3.34Å; D105-A109 PolarHBondContact O-N 2.94Å | ||
| 106 | F | 84.2 | Confident | 77.5 | Confident | 106 Ų | 106 | 67.6 Ų | 67.6 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -27.7 | 178.5 | -67.6 | -55.4 | 0 | 0 | 0 | 111.9 | F24 M95 Y104 K110 | F24-F106 HydrophobicContact CE1-CD1 4.38Å; F24-F106 HydrophobicContact CZ-CD1 4.18Å; F24-F106 HydrophobicContact CZ-CE1 4.42Å; M95-F106 HydrophobicContact CE-CE2 4.14Å; M95-F106 HydrophobicContact CE-CZ 3.99Å; Y104-F106 VanDerWaalsContact CB-CE2 3.46Å; Y104-F106 VanDerWaalsContact CB-CZ 3.43Å; Y104-F106 HydrophobicContact CD1-CE1 4.47Å; Y104-F106 HydrophobicContact CD1-CZ 4.32Å; Y104-F106 HydrophobicContact CD2-CE2 4.29Å; Y104-F106 HydrophobicContact CD2-CZ 4.09Å; Y104-F106 HydrophobicContact CG-CE1 4.19Å; Y104-F106 HydrophobicContact CG-CE2 4.08Å; Y104-F106 AromaticContact CG-CZ 3.71Å; Y104-F106 HydrophobicContact CG-CZ 3.71Å; Y104-F106 PolarHBondContact O-N 3.23Å; F106-K110 WeakPolarHBondContact O-CB 3.48Å; F106-K110 PolarHBondContact O-N 2.59Å |
| 107 | A | 84.4 | Confident | 78.4 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.2 | -49.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D105 K110 R111 | D105-A107 PolarHBondContact O-N 3.32Å; A107-K110 PolarHBondContact O-N 2.96Å; A107-R111 PolarHBondContact O-N 3.2Å |
| 108 | G | 87 | Confident | 79.5 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D105 K110 R111 K112 | D105-G108 PolarHBondContact O-N 3.01Å; D105-G108 WeakPolarHBondContact OD1-CA 3.5Å; D105-G108 PolarHBondContact OD1-N 3.36Å; D105-G108 WeakPolarHBondContact OD2-CA 3.47Å; G108-K110 PolarHBondContact O-N 2.67Å; G108-R111 PolarHBondContact O-N 3.16Å; G108-K112 WeakPolarHBondContact O-CG 3.28Å; G108-K112 PolarHBondContact O-N 3Å |
| 109 | A | 86.8 | Confident | 80.8 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F24 V28 D105 R111 K112 L113 | F24-A109 HydrophobicContact CE1-CB 3.99Å; F24-A109 HydrophobicContact CE2-CB 4.48Å; F24-A109 HydrophobicContact CZ-CB 3.48Å; F24-A109 VanDerWaalsContact CZ-CB 3.48Å; V28-A109 HydrophobicContact CG2-CB 3.8Å; D105-A109 VanDerWaalsContact O-CB 3.3Å; D105-A109 WeakPolarHBondContact O-CB 3.34Å; D105-A109 PolarHBondContact O-N 2.94Å; A109-R111 VanDerWaalsContact C-N 3.35Å; A109-R111 PolarHBondContact O-N 3.04Å; A109-K112 PolarHBondContact O-N 3.09Å; A109-L113 WeakPolarHBondContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CG 2.94Å; A109-L113 PolarHBondContact O-N 3.24Å |
| 110 | K | 85.5 | Confident | 82.2 | Confident | 106 Ų | 106 | 51.6 Ų | 51.6 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 174.8 | 168.4 | 175.8 | 159.7 | 162.2 | 0 | 111.1 | F106 A107 G108 K112 L113 S114 C204 L205 | F106-K110 WeakPolarHBondContact O-CB 3.48Å; F106-K110 PolarHBondContact O-N 2.59Å; A107-K110 PolarHBondContact O-N 2.96Å; G108-K110 PolarHBondContact O-N 2.67Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.02Å; K110-L113 PolarHBondContact O-N 3.37Å; K110-S114 VanDerWaalsContact O-CB 3.25Å; K110-S114 WeakPolarHBondContact O-CB 3.45Å; K110-S114 PolarHBondContact O-N 3.45Å; K110-C204 WeakPolarHBondContact CD-O 3.3Å; K110-C204 WeakPolarHBondContact CE-O 3.38Å; K110-C204 PolarHBondContact NZ-O 3.11Å; K110-L205 HydrophobicContact CG-CD2 4.26Å |
| 111 | R | 87 | Confident | 83.3 | Confident | 136 Ų | 136 | 48.3 Ų | 48.3 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.3 | -47.2 | 177.5 | 176.8 | -178.1 | 166 | -175.8 | -6.5 | 110.8 | D34 A107 G108 A109 S114 R115 | D34-R111 IonicContact OD2-NH2 2.69Å; D34-R111 PolarHBondContact OD2-NH2 2.88Å; A107-R111 PolarHBondContact O-N 3.2Å; G108-R111 PolarHBondContact O-N 3.16Å; A109-R111 VanDerWaalsContact C-N 3.35Å; A109-R111 PolarHBondContact O-N 3.04Å; R111-S114 PolarHBondContact O-N 2.99Å; R111-R115 WeakPolarHBondContact O-CG 3.45Å; R111-R115 PolarHBondContact O-N 3.42Å; R111-R115 VanDerWaalsContact O-N 3.08Å |
| 112 | K | 89.2 | Confident | 84.3 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | -179.4 | -68.5 | -166.2 | -177.1 | -152.1 | 0 | 111.9 | V28 Q29 A31 V33 G108 A109 K110 S114 R115 M116 | V28-K112 HydrophobicContact CG1-CD 4.4Å; V28-K112 VanDerWaalsContact O-CD 3.24Å; V28-K112 WeakPolarHBondContact O-CD 3.39Å; V28-K112 WeakPolarHBondContact O-CE 3.48Å; V28-K112 PolarHBondContact O-NZ 3.39Å; Q29-K112 PolarHBondContact O-NZ 2.68Å; Q29-K112 VanDerWaalsContact O-NZ 3.16Å; A31-K112 HydrophobicContact CB-CD 3.74Å; A31-K112 WeakPolarHBondContact O-CD 3.47Å; A31-K112 WeakPolarHBondContact O-CE 3.34Å; A31-K112 PolarHBondContact O-NZ 3.43Å; V33-K112 HydrophobicContact CG2-CB 4.06Å; V33-K112 HydrophobicContact CG2-CD 4.49Å; V33-K112 HydrophobicContact CG2-CG 4.42Å; G108-K112 WeakPolarHBondContact O-CG 3.28Å; G108-K112 PolarHBondContact O-N 3Å; A109-K112 PolarHBondContact O-N 3.09Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.02Å; K112-S114 PolarHBondContact O-N 2.9Å; K112-R115 PolarHBondContact O-N 3.43Å; K112-M116 WeakPolarHBondContact O-CG 3.49Å; K112-M116 PolarHBondContact O-N 3.37Å |
| 113 | L | 87 | Confident | 85.6 | Confident | 69 Ų | 69 | 47 Ų | 47 | 36% | 0.361 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.4 | -71.7 | 172.5 | 0 | 0 | 0 | 112.3 | A109 K110 R115 M116 V117 M149 L205 | A109-L113 WeakPolarHBondContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CG 2.94Å; A109-L113 PolarHBondContact O-N 3.24Å; K110-L113 PolarHBondContact O-N 3.37Å; L113-R115 VanDerWaalsContact C-N 3.26Å; L113-R115 PolarHBondContact O-N 3.33Å; L113-M116 HydrophobicContact CD2-SD 4.49Å; L113-M116 PolarHBondContact O-N 3.44Å; L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 2.84Å; L113-M149 HydrophobicContact CD2-CE 4.26Å; L113-L205 HydrophobicContact CB-CD1 4.33Å; L113-L205 HydrophobicContact CB-CD2 3.87Å |
| 114 | S | 87.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.7 | -41 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | K110 R111 K112 V117 L205 R207 | K110-S114 VanDerWaalsContact O-CB 3.25Å; K110-S114 WeakPolarHBondContact O-CB 3.45Å; K110-S114 PolarHBondContact O-N 3.45Å; R111-S114 PolarHBondContact O-N 2.99Å; K112-S114 PolarHBondContact O-N 2.9Å; S114-V117 WeakPolarHBondContact O-CB 3.31Å; S114-V117 PolarHBondContact O-N 2.91Å; S114-L205 WeakPolarHBondContact CB-O 3.32Å; S114-L205 PolarHBondContact OG-O 3.44Å; S114-R207 PolarHBondContact O-NH1 3.16Å |
| 115 | R | 88.3 | Confident | 86.5 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -72.9 | -36.6 | 176.9 | -73.7 | -174.7 | 70.4 | 92.7 | -10.2 | 113 | V33 D34 V37 N57 R111 K112 L113 V117 L118 | V33-R115 HydrophobicContact CG1-CB 3.63Å; D34-R115 WeakPolarHBondContact OD1-CD 3.05Å; D34-R115 IonicContact OD1-CZ 2.68Å; D34-R115 IonicContact OD1-NE 2.72Å; D34-R115 PolarHBondContact OD1-NE 2.93Å; D34-R115 IonicContact OD1-NH2 3.84Å; V37-R115 HydrophobicContact CG2-CB 4.13Å; V37-R115 WeakPolarHBondContact CG2-O 3.2Å; N57-R115 PolarHBondContact OD1-NH1 2.84Å; R111-R115 WeakPolarHBondContact O-CG 3.45Å; R111-R115 PolarHBondContact O-N 3.42Å; R111-R115 VanDerWaalsContact O-N 3.08Å; K112-R115 PolarHBondContact O-N 3.43Å; L113-R115 VanDerWaalsContact C-N 3.26Å; L113-R115 PolarHBondContact O-N 3.33Å; R115-V117 PolarHBondContact O-N 2.7Å; R115-L118 WeakPolarHBondContact O-CA 3.02Å; R115-L118 WeakPolarHBondContact O-CB 3.43Å; R115-L118 PolarHBondContact O-N 2.94Å |
| 116 | M | 87.8 | Confident | 86.6 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -30.5 | 174.3 | -73.1 | -176 | 67.9 | 0 | 0 | 112.7 | V33 K112 L113 L118 I119 M149 | V33-M116 HydrophobicContact CB-CG 4.27Å; V33-M116 HydrophobicContact CG1-CB 4.43Å; V33-M116 HydrophobicContact CG1-CG 3.55Å; V33-M116 HydrophobicContact CG2-CG 3.63Å; V33-M116 HydrophobicContact CG2-SD 4.07Å; K112-M116 WeakPolarHBondContact O-CG 3.49Å; K112-M116 PolarHBondContact O-N 3.37Å; L113-M116 HydrophobicContact CD2-SD 4.49Å; L113-M116 PolarHBondContact O-N 3.44Å; M116-L118 PolarHBondContact O-N 2.87Å; M116-I119 WeakPolarHBondContact O-CB 3.36Å; M116-I119 PolarHBondContact O-N 3.48Å; M116-M149 HydrophobicContact CE-CB 4.21Å; M116-M149 HydrophobicContact CE-CE 3.32Å; M116-M149 HydrophobicContact SD-CE 3.17Å; M116-M149 WeakPolarHBondContact SD-CE 3.44Å |
| 117 | V | 87.5 | Confident | 87 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -30.7 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | L113 S114 R115 I119 K120 M202 L205 R207 S210 V213 | L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 2.84Å; S114-V117 WeakPolarHBondContact O-CB 3.31Å; S114-V117 PolarHBondContact O-N 2.91Å; R115-V117 PolarHBondContact O-N 2.7Å; V117-I119 PolarHBondContact O-N 2.91Å; V117-K120 PolarHBondContact O-N 3.38Å; V117-M202 HydrophobicContact CG1-CE 3.86Å; V117-M202 HydrophobicContact CG2-CE 3.99Å; V117-L205 HydrophobicContact CG2-CD1 4.22Å; V117-R207 HydrophobicContact CB-CB 4.31Å; V117-R207 HydrophobicContact CB-CG 4.18Å; V117-R207 HydrophobicContact CG1-CB 3.96Å; V117-R207 HydrophobicContact CG1-CG 4.27Å; V117-R207 HydrophobicContact CG2-CB 4.46Å; V117-R207 HydrophobicContact CG2-CG 4.49Å; V117-S210 VanDerWaalsContact CG1-CB 3.46Å; V117-V213 HydrophobicContact CG1-CB 4.35Å; V117-V213 HydrophobicContact CG1-CG2 4.07Å; V117-V213 HydrophobicContact CG2-CG1 4.2Å |
| 118 | L | 87.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -26.7 | 176.1 | -61.9 | 169.1 | 0 | 0 | 0 | 112.6 | V37 Q54 F55 R115 M116 K120 Q121 R207 | V37-L118 HydrophobicContact CG1-CB 4.31Å; V37-L118 HydrophobicContact CG1-CD1 3.6Å; V37-L118 HydrophobicContact CG2-CB 4.26Å; V37-L118 HydrophobicContact CG2-CD1 4.34Å; Q54-L118 HydrophobicContact CB-CD2 4.03Å; Q54-L118 HydrophobicContact CG-CD2 3.83Å; Q54-L118 WeakPolarHBondContact O-CD1 3.37Å; F55-L118 HydrophobicContact CD1-CB 4.24Å; F55-L118 HydrophobicContact CD1-CD1 4.18Å; F55-L118 HydrophobicContact CD1-CD2 4.45Å; F55-L118 HydrophobicContact CE1-CB 3.92Å; F55-L118 HydrophobicContact CE1-CD2 4.47Å; R115-L118 WeakPolarHBondContact O-CA 3.02Å; R115-L118 WeakPolarHBondContact O-CB 3.43Å; R115-L118 PolarHBondContact O-N 2.94Å; M116-L118 PolarHBondContact O-N 2.87Å; L118-K120 PolarHBondContact O-N 3.2Å; L118-Q121 VanDerWaalsContact O-CB 3.23Å; L118-Q121 WeakPolarHBondContact O-CB 3.41Å; L118-Q121 PolarHBondContact O-N 3.44Å; L118-R207 VanDerWaalsContact CD2-NH2 3.28Å |
| 119 | I | 89 | Confident | 87.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.4 | -29.4 | -179.8 | -59.6 | 173.7 | 0 | 0 | 0 | 110.2 | V33 Q36 V37 V40 M116 V117 Q121 R138 I141 E142 S145 | V33-I119 HydrophobicContact CG1-CD1 4.39Å; Q36-I119 HydrophobicContact CB-CD1 3.64Å; Q36-I119 HydrophobicContact CB-CG1 4.4Å; V37-I119 HydrophobicContact CG2-CD1 4.29Å; V37-I119 HydrophobicContact CG2-CG1 3.87Å; V40-I119 HydrophobicContact CG2-CB 4.45Å; V40-I119 HydrophobicContact CG2-CG2 4.09Å; M116-I119 WeakPolarHBondContact O-CB 3.36Å; M116-I119 PolarHBondContact O-N 3.48Å; V117-I119 PolarHBondContact O-N 2.91Å; I119-Q121 VanDerWaalsContact C-N 3.35Å; I119-R138 WeakPolarHBondContact O-CD 3.26Å; I119-R138 WeakPolarHBondContact O-CG 3.18Å; I119-I141 HydrophobicContact CG2-CG2 4.47Å; I119-E142 HydrophobicContact CG2-CB 4.04Å; I119-E142 HydrophobicContact CG2-CG 4.47Å; I119-S145 VanDerWaalsContact CD1-OG 3.23Å; I119-S145 WeakPolarHBondContact CD1-OG 3.27Å |
| 120 | K | 86.1 | Confident | 88.3 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 24% | 0.239 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 18.3 | 176.5 | -63.6 | -173.8 | 161.1 | -84.2 | 0 | 113.3 | V117 L118 D122 E142 V213 L250 | V117-K120 PolarHBondContact O-N 3.38Å; L118-K120 PolarHBondContact O-N 3.2Å; K120-D122 PolarHBondContact O-N 2.03Å; K120-E142 HydrophobicContact CG-CG 4.2Å; K120-E142 WeakPolarHBondContact CG-OE1 3.34Å; K120-E142 IonicContact NZ-OE1 3.87Å; K120-E142 PolarHBondContact NZ-OE1 3.27Å; K120-V213 HydrophobicContact CB-CG2 3.91Å; K120-V213 HydrophobicContact CD-CG2 3.82Å; K120-V213 HydrophobicContact CG-CG2 4.46Å; K120-L250 PolarHBondContact NZ-O 2.9Å |
| 121 | Q | 83.4 | Confident | 88.7 | Confident | 20 Ų | 20 | 50.8 Ų | 50.8 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | trans | -59.3 | 134.9 | -178 | -173.2 | 66.3 | 27.2 | 0 | 0 | 111.6 | F44 Q54 F55 L118 I119 R138 | F44-Q121 HydrophobicContact CE1-CB 4.48Å; F44-Q121 HydrophobicContact CE1-CG 4.01Å; F44-Q121 HydrophobicContact CE2-CB 4.36Å; F44-Q121 HydrophobicContact CZ-CB 3.86Å; F44-Q121 HydrophobicContact CZ-CG 3.89Å; F44-Q121 WeakPolarHBondContact CZ-O 3.37Å; Q54-Q121 VanDerWaalsContact NE2-NE2 3.2Å; F55-Q121 HydrophobicContact CZ-CB 4.28Å; F55-Q121 HydrophobicContact CZ-CG 4.36Å; L118-Q121 VanDerWaalsContact O-CB 3.23Å; L118-Q121 WeakPolarHBondContact O-CB 3.41Å; L118-Q121 PolarHBondContact O-N 3.44Å; I119-Q121 VanDerWaalsContact C-N 3.35Å; Q121-R138 PolarHBondContact O-NH1 3.22Å | ||
| 122 | D | 82.1 | Confident | 89.1 | Confident | 54 Ų | 54 | 50 Ų | 50 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | trans | -66.3 | 132.3 | 177.4 | -166.6 | -20 | 0 | 0 | 0 | 111.7 | K120 K124 S125 | K120-D122 PolarHBondContact O-N 2.03Å; D122-K124 PolarHBondContact O-N 3.32Å; D122-K124 VanDerWaalsContact OD1-CG 3.3Å; D122-K124 WeakPolarHBondContact OD1-CG 3.41Å; D122-K124 PolarHBondContact OD1-N 3.06Å; D122-K124 WeakPolarHBondContact OD2-CD 2.99Å; D122-K124 VanDerWaalsContact OD2-CE 3.23Å; D122-K124 WeakPolarHBondContact OD2-CE 3.43Å; D122-K124 IonicContact OD2-NZ 3.97Å; D122-K124 PolarHBondContact OD2-NZ 3.29Å; D122-S125 PolarHBondContact O-OG 2.95Å | ||
| 123 | V | 88.2 | Confident | 89.4 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -71.7 | -4.3 | 174.6 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | F44 S125 C126 R131 V134 D135 R138 | F44-V123 HydrophobicContact CZ-CG1 4.2Å; V123-S125 PolarHBondContact O-N 3.46Å; V123-S125 VanDerWaalsContact O-N 3.09Å; V123-C126 WeakPolarHBondContact O-CA 3.03Å; V123-C126 WeakPolarHBondContact O-CB 3.45Å; V123-C126 PolarHBondContact O-N 3.24Å; V123-C126 PolarHBondContact O-SG 2.85Å; V123-C126 VanDerWaalsContact O-SG 3.36Å; V123-R131 HydrophobicContact CB-CB 4.49Å; V123-R131 HydrophobicContact CB-CG 4.44Å; V123-R131 HydrophobicContact CG2-CB 4.09Å; V123-R131 HydrophobicContact CG2-CG 4.22Å; V123-R131 WeakPolarHBondContact O-CG 3.27Å; V123-V134 HydrophobicContact CG1-CB 4.15Å; V123-V134 HydrophobicContact CG1-CG1 3.8Å; V123-D135 HydrophobicContact CG1-CB 3.95Å; V123-D135 HydrophobicContact CG2-CB 4.47Å; V123-R138 VanDerWaalsContact CG1-NH1 3.33Å |
| 124 | K | 87.4 | Confident | 89.9 | Confident | 145 Ų | 145 | 48.6 Ų | 48.6 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -57.4 | -23 | 174.6 | -76.9 | 177.2 | -160.6 | 162.2 | 0 | 114.3 | D122 C126 R131 | D122-K124 PolarHBondContact O-N 3.32Å; D122-K124 VanDerWaalsContact OD1-CG 3.3Å; D122-K124 WeakPolarHBondContact OD1-CG 3.41Å; D122-K124 PolarHBondContact OD1-N 3.06Å; D122-K124 WeakPolarHBondContact OD2-CD 2.99Å; D122-K124 VanDerWaalsContact OD2-CE 3.23Å; D122-K124 WeakPolarHBondContact OD2-CE 3.43Å; D122-K124 IonicContact OD2-NZ 3.97Å; D122-K124 PolarHBondContact OD2-NZ 3.29Å; K124-C126 PolarHBondContact O-N 3.05Å; K124-R131 PolarHBondContact O-NH2 2.95Å |
| 125 | S | 84.1 | Confident | 90.2 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -67.7 | -10.4 | 171 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | F44 K50 D122 V123 | F44-S125 WeakPolarHBondContact CE1-OG 3.47Å; K50-S125 PolarHBondContact N-O 2.79Å; D122-S125 PolarHBondContact O-OG 2.95Å; V123-S125 PolarHBondContact O-N 3.46Å; V123-S125 VanDerWaalsContact O-N 3.09Å |
| 126 | C | 89.9 | Confident | 90.6 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -93.6 | 149.5 | 176.5 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | C49 V123 K124 R131 | C49-C126 HydrophobicContact CB-CB 3.85Å; C49-C126 WeakPolarHBondContact CB-SG 2.87Å; C49-C126 WeakPolarHBondContact SG-CB 3.12Å; C49-C126 CovalentContact SG-SG 2.02Å; C49-C126 PolarHBondContact SG-SG 3.49Å; V123-C126 WeakPolarHBondContact O-CA 3.03Å; V123-C126 WeakPolarHBondContact O-CB 3.45Å; V123-C126 PolarHBondContact O-N 3.24Å; V123-C126 PolarHBondContact O-SG 2.85Å; V123-C126 VanDerWaalsContact O-SG 3.36Å; K124-C126 PolarHBondContact O-N 3.05Å; C126-R131 HydrophobicContact CB-CG 4.06Å; C126-R131 PolarHBondContact O-NE 3.27Å |
| 127 | P | 92.6 | Very high | 91 | Very high | 54 Ų | 54 | 53 Ų | 53 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | trans | -49.5 | 140.9 | 165.7 | -26.8 | 35.4 | 0 | 0 | 0 | 112.1 | N129 T130 R131 | P127-N129 VanDerWaalsContact CB-OD1 3.25Å; P127-N129 WeakPolarHBondContact CB-OD1 3.24Å; P127-N129 PolarHBondContact O-N 3.47Å; P127-N129 VanDerWaalsContact O-N 3.13Å; P127-T130 PolarHBondContact O-N 2.88Å; P127-T130 PolarHBondContact O-OG1 2.72Å; P127-R131 WeakPolarHBondContact O-CG 3.2Å; P127-R131 PolarHBondContact O-N 3.42Å | ||
| 128 | A | 93.5 | Very high | 91.2 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 63% | 0.628 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -37.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T130 | A128-T130 VanDerWaalsContact C-N 3.33Å; A128-T130 PolarHBondContact O-N 3.26Å |
| 129 | N | 95.1 | Very high | 91.5 | Very high | 140 Ų | 140 | 57.9 Ų | 57.9 | 75% | 0.749 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -18.9 | 179.8 | 63.9 | -32 | 0 | 0 | 0 | 114.5 | P127 | P127-N129 VanDerWaalsContact CB-OD1 3.25Å; P127-N129 WeakPolarHBondContact CB-OD1 3.24Å; P127-N129 PolarHBondContact O-N 3.47Å; P127-N129 VanDerWaalsContact O-N 3.13Å |
| 130 | T | 95.4 | Very high | 91.8 | Very high | 26 Ų | 26 | 61.7 Ų | 61.7 | 16% | 0.16 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -15.4 | -179.7 | 65 | 0 | 0 | 0 | 0 | 113.6 | G47 P127 A128 Q132 S133 V134 | G47-T130 WeakPolarHBondContact O-CB 3.39Å; G47-T130 PolarHBondContact O-OG1 2.74Å; P127-T130 PolarHBondContact O-N 2.88Å; P127-T130 PolarHBondContact O-OG1 2.72Å; A128-T130 VanDerWaalsContact C-N 3.33Å; A128-T130 PolarHBondContact O-N 3.26Å; T130-Q132 VanDerWaalsContact C-N 3.3Å; T130-Q132 PolarHBondContact O-N 3.3Å; T130-Q132 VanDerWaalsContact O-N 3.16Å; T130-S133 WeakPolarHBondContact O-CB 3.27Å; T130-S133 PolarHBondContact O-N 2.84Å; T130-V134 WeakPolarHBondContact O-CG2 3.4Å; T130-V134 PolarHBondContact O-N 3.23Å |
| 131 | R | 94.9 | Very high | 92.1 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -47.5 | -47.9 | -176.2 | -75 | 177 | -172.4 | 170.9 | -1.1 | 113.7 | V123 K124 C126 P127 S133 V134 D135 | V123-R131 HydrophobicContact CB-CB 4.49Å; V123-R131 HydrophobicContact CB-CG 4.44Å; V123-R131 HydrophobicContact CG2-CB 4.09Å; V123-R131 HydrophobicContact CG2-CG 4.22Å; V123-R131 WeakPolarHBondContact O-CG 3.27Å; K124-R131 PolarHBondContact O-NH2 2.95Å; C126-R131 HydrophobicContact CB-CG 4.06Å; C126-R131 PolarHBondContact O-NE 3.27Å; P127-R131 WeakPolarHBondContact O-CG 3.2Å; P127-R131 PolarHBondContact O-N 3.42Å; R131-S133 PolarHBondContact O-N 3.45Å; R131-V134 PolarHBondContact O-N 3.1Å; R131-D135 VanDerWaalsContact O-CB 3.27Å; R131-D135 WeakPolarHBondContact O-CB 3.24Å; R131-D135 PolarHBondContact O-N 3.21Å |
| 132 | Q | 95.5 | Very high | 92.5 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -40.3 | -177.8 | -171.6 | 61.5 | 45.6 | 0 | 0 | 112.1 | T130 D135 N136 | T130-Q132 VanDerWaalsContact C-N 3.3Å; T130-Q132 PolarHBondContact O-N 3.3Å; T130-Q132 VanDerWaalsContact O-N 3.16Å; Q132-D135 PolarHBondContact O-N 3.46Å; Q132-N136 PolarHBondContact NE2-OD1 3.41Å; Q132-N136 WeakPolarHBondContact O-CB 3.23Å; Q132-N136 PolarHBondContact O-N 3.09Å; Q132-N136 PolarHBondContact O-ND2 2.82Å; Q132-N136 PolarHBondContact O-OD1 2.79Å |
| 133 | S | 96.1 | Very high | 92.9 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 59% | 0.594 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.8 | -43.1 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | T130 R131 N136 C137 | T130-S133 WeakPolarHBondContact O-CB 3.27Å; T130-S133 PolarHBondContact O-N 2.84Å; R131-S133 PolarHBondContact O-N 3.45Å; S133-N136 PolarHBondContact O-N 2.87Å; S133-C137 PolarHBondContact O-N 3.33Å |
| 134 | V | 95.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.1 | 179 | 0 | 0 | 0 | 0 | 111.1 | C43 F44 V123 T130 R131 C137 R138 | C43-V134 HydrophobicContact CB-CG1 4.39Å; F44-V134 HydrophobicContact CD1-CG1 4.37Å; F44-V134 HydrophobicContact CD2-CG1 3.8Å; F44-V134 HydrophobicContact CE1-CG1 4.47Å; F44-V134 HydrophobicContact CE2-CG1 3.94Å; F44-V134 HydrophobicContact CG-CG1 4.03Å; F44-V134 HydrophobicContact CZ-CG1 4.27Å; V123-V134 HydrophobicContact CG1-CB 4.15Å; V123-V134 HydrophobicContact CG1-CG1 3.8Å; T130-V134 WeakPolarHBondContact O-CG2 3.4Å; T130-V134 PolarHBondContact O-N 3.23Å; R131-V134 PolarHBondContact O-N 3.1Å; V134-C137 PolarHBondContact O-N 3.22Å; V134-R138 WeakPolarHBondContact O-CB 3.39Å; V134-R138 PolarHBondContact O-N 3.47Å |
| 135 | D | 94.8 | Very high | 93.2 | Very high | 19 Ų | 19 | 60.7 Ų | 60.7 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 178.7 | -169.4 | 56.1 | 0 | 0 | 0 | 111.5 | V123 R131 Q132 C137 R138 K139 | V123-D135 HydrophobicContact CG1-CB 3.95Å; V123-D135 HydrophobicContact CG2-CB 4.47Å; R131-D135 VanDerWaalsContact O-CB 3.27Å; R131-D135 WeakPolarHBondContact O-CB 3.24Å; R131-D135 PolarHBondContact O-N 3.21Å; Q132-D135 PolarHBondContact O-N 3.46Å; D135-C137 VanDerWaalsContact C-N 3.29Å; D135-C137 PolarHBondContact O-N 2.92Å; D135-R138 PolarHBondContact O-N 3.25Å; D135-R138 IonicContact OD1-CZ 3.47Å; D135-R138 IonicContact OD1-NH1 3.66Å; D135-R138 IonicContact OD1-NH2 2.7Å; D135-R138 PolarHBondContact OD1-NH2 3.47Å; D135-K139 WeakPolarHBondContact O-CB 3.44Å; D135-K139 VanDerWaalsContact O-CG 3.31Å; D135-K139 WeakPolarHBondContact O-CG 3.27Å; D135-K139 PolarHBondContact O-N 3.38Å; D135-K139 WeakPolarHBondContact OD2-CD 3.15Å; D135-K139 WeakPolarHBondContact OD2-CE 3.45Å; D135-K139 IonicContact OD2-NZ 3.54Å; D135-K139 PolarHBondContact OD2-NZ 2.88Å |
| 136 | N | 96.1 | Very high | 93.4 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 173.8 | -71.2 | -10.6 | 0 | 0 | 0 | 112.4 | Q132 S133 P140 | Q132-N136 PolarHBondContact NE2-OD1 3.41Å; Q132-N136 WeakPolarHBondContact O-CB 3.23Å; Q132-N136 PolarHBondContact O-N 3.09Å; Q132-N136 PolarHBondContact O-ND2 2.82Å; Q132-N136 PolarHBondContact O-OD1 2.79Å; S133-N136 PolarHBondContact O-N 2.87Å; N136-P140 WeakPolarHBondContact O-CD 3.24Å |
| 137 | C | 95.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 63.3 Ų | 63.3 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.2 | -40.5 | 173.7 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | C43 S133 V134 D135 I141 | C43-C137 VanDerWaalsContact CA-SG 3.53Å; C43-C137 HydrophobicContact CB-CB 3.61Å; C43-C137 WeakPolarHBondContact CB-SG 3.5Å; C43-C137 WeakPolarHBondContact SG-CB 3.5Å; C43-C137 PolarHBondContact SG-O 2.63Å; C43-C137 CovalentContact SG-SG 2.04Å; C43-C137 PolarHBondContact SG-SG 2.78Å; S133-C137 PolarHBondContact O-N 3.33Å; V134-C137 PolarHBondContact O-N 3.22Å; D135-C137 VanDerWaalsContact C-N 3.29Å; D135-C137 PolarHBondContact O-N 2.92Å; C137-I141 WeakPolarHBondContact O-CD1 3.39Å |
| 138 | R | 93.2 | Very high | 93.2 | Very high | 23 Ų | 23 | 62.3 Ų | 62.3 | 9% | 0.087 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.2 | -44.5 | -177 | -171.1 | -169.4 | 82.3 | -133 | -20.3 | 112.8 | V40 I119 Q121 V123 V134 D135 I141 E142 | V40-R138 HydrophobicContact CG1-CG 3.99Å; V40-R138 HydrophobicContact CG2-CG 4.03Å; I119-R138 WeakPolarHBondContact O-CD 3.26Å; I119-R138 WeakPolarHBondContact O-CG 3.18Å; Q121-R138 PolarHBondContact O-NH1 3.22Å; V123-R138 VanDerWaalsContact CG1-NH1 3.33Å; V134-R138 WeakPolarHBondContact O-CB 3.39Å; V134-R138 PolarHBondContact O-N 3.47Å; D135-R138 PolarHBondContact O-N 3.25Å; D135-R138 IonicContact OD1-CZ 3.47Å; D135-R138 IonicContact OD1-NH1 3.66Å; D135-R138 IonicContact OD1-NH2 2.7Å; D135-R138 PolarHBondContact OD1-NH2 3.47Å; R138-I141 WeakPolarHBondContact O-CA 3.39Å; R138-I141 WeakPolarHBondContact O-CB 3.14Å; R138-I141 PolarHBondContact O-N 2.86Å; R138-E142 IonicContact CZ-OE2 2.83Å; R138-E142 IonicContact NE-OE2 3.99Å; R138-E142 PolarHBondContact NE-OE2 3.49Å; R138-E142 IonicContact NH2-OE2 2.92Å; R138-E142 PolarHBondContact O-N 3.1Å |
| 139 | K | 93.5 | Very high | 92.9 | Very high | 91 Ų | 91 | 60.6 Ų | 60.6 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.8 | -44.8 | -171.3 | -85.5 | 172 | 165.7 | 164.7 | 0 | 114.6 | D135 I141 E142 K143 | D135-K139 WeakPolarHBondContact O-CB 3.44Å; D135-K139 VanDerWaalsContact O-CG 3.31Å; D135-K139 WeakPolarHBondContact O-CG 3.27Å; D135-K139 PolarHBondContact O-N 3.38Å; D135-K139 WeakPolarHBondContact OD2-CD 3.15Å; D135-K139 WeakPolarHBondContact OD2-CE 3.45Å; D135-K139 IonicContact OD2-NZ 3.54Å; D135-K139 PolarHBondContact OD2-NZ 2.88Å; K139-I141 VanDerWaalsContact C-N 3.28Å; K139-I141 PolarHBondContact O-N 2.95Å; K139-E142 PolarHBondContact O-N 3.33Å; K139-K143 WeakPolarHBondContact O-CB 3.46Å; K139-K143 PolarHBondContact O-N 2.96Å |
| 140 | P | 94 | Very high | 92.5 | Very high | 82 Ų | 82 | 57.3 Ų | 57.3 | 53% | 0.532 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -35.9 | 175.2 | -25.1 | 34.8 | 0 | 0 | 0 | 113.2 | N136 Q144 | N136-P140 WeakPolarHBondContact O-CD 3.24Å; P140-Q144 PolarHBondContact O-N 2.9Å |
| 141 | I | 93.8 | Very high | 92.3 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.7 | -42.4 | 178.2 | -53.9 | 159 | 0 | 0 | 0 | 110.2 | Q36 K39 V40 I119 C137 R138 K139 K143 Q144 S145 | Q36-I141 HydrophobicContact CB-CG2 4Å; Q36-I141 HydrophobicContact CG-CG2 4.41Å; K39-I141 HydrophobicContact CB-CD1 3.53Å; K39-I141 HydrophobicContact CB-CG1 4.11Å; K39-I141 HydrophobicContact CB-CG2 4.36Å; V40-I141 HydrophobicContact CG2-CB 4.04Å; V40-I141 HydrophobicContact CG2-CD1 3.89Å; V40-I141 HydrophobicContact CG2-CG2 3.74Å; I119-I141 HydrophobicContact CG2-CG2 4.47Å; C137-I141 WeakPolarHBondContact O-CD1 3.39Å; R138-I141 WeakPolarHBondContact O-CA 3.39Å; R138-I141 WeakPolarHBondContact O-CB 3.14Å; R138-I141 PolarHBondContact O-N 2.86Å; K139-I141 VanDerWaalsContact C-N 3.28Å; K139-I141 PolarHBondContact O-N 2.95Å; I141-K143 VanDerWaalsContact C-N 3.35Å; I141-Q144 PolarHBondContact O-N 3.27Å; I141-S145 WeakPolarHBondContact O-CB 3.44Å; I141-S145 PolarHBondContact O-N 3.36Å |
| 142 | E | 90.6 | Very high | 92.1 | Very high | 23 Ų | 23 | 58 Ų | 58 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 174.3 | -178.3 | 177 | 177.7 | 0 | 0 | 111.8 | I119 K120 R138 K139 S145 G146 | I119-E142 HydrophobicContact CG2-CB 4.04Å; I119-E142 HydrophobicContact CG2-CG 4.47Å; K120-E142 HydrophobicContact CG-CG 4.2Å; K120-E142 WeakPolarHBondContact CG-OE1 3.34Å; K120-E142 IonicContact NZ-OE1 3.87Å; K120-E142 PolarHBondContact NZ-OE1 3.27Å; R138-E142 IonicContact CZ-OE2 2.83Å; R138-E142 IonicContact NE-OE2 3.99Å; R138-E142 PolarHBondContact NE-OE2 3.49Å; R138-E142 IonicContact NH2-OE2 2.92Å; R138-E142 PolarHBondContact O-N 3.1Å; K139-E142 PolarHBondContact O-N 3.33Å; E142-S145 WeakPolarHBondContact O-CB 3.46Å; E142-S145 PolarHBondContact O-N 2.73Å; E142-G146 PolarHBondContact O-N 3.26Å |
| 143 | K | 90.9 | Very high | 91.7 | Very high | 121 Ų | 121 | 53.2 Ų | 53.2 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -50.8 | 175.3 | -176.4 | 178.8 | 177.3 | -179.2 | 0 | 111.5 | K139 I141 S145 G146 D147 | K139-K143 WeakPolarHBondContact O-CB 3.46Å; K139-K143 PolarHBondContact O-N 2.96Å; I141-K143 VanDerWaalsContact C-N 3.35Å; K143-S145 VanDerWaalsContact C-N 3.26Å; K143-S145 PolarHBondContact O-N 2.85Å; K143-G146 WeakPolarHBondContact O-CA 3.36Å; K143-G146 PolarHBondContact O-N 2.9Å; K143-D147 PolarHBondContact O-N 3.38Å |
| 144 | Q | 91.6 | Very high | 91.5 | Very high | 97 Ų | 97 | 51.9 Ų | 51.9 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.8 | -40.5 | 176.5 | -177.2 | 61.6 | 45.8 | 0 | 0 | 111.9 | P140 I141 G146 D147 D148 | P140-Q144 PolarHBondContact O-N 2.9Å; I141-Q144 PolarHBondContact O-N 3.27Å; Q144-G146 VanDerWaalsContact C-N 3.32Å; Q144-G146 PolarHBondContact O-N 3.39Å; Q144-D147 PolarHBondContact O-N 2.97Å; Q144-D148 PolarHBondContact NE2-OD1 3.4Å; Q144-D148 VanDerWaalsContact O-CG 3.27Å; Q144-D148 PolarHBondContact O-N 2.9Å |
| 145 | S | 89.8 | Confident | 91.3 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 176.2 | -163.4 | 0 | 0 | 0 | 0 | 112.4 | Q36 I119 I141 E142 K143 M149 | Q36-S145 PolarHBondContact OE1-OG 2.83Å; I119-S145 VanDerWaalsContact CD1-OG 3.23Å; I119-S145 WeakPolarHBondContact CD1-OG 3.27Å; I141-S145 WeakPolarHBondContact O-CB 3.44Å; I141-S145 PolarHBondContact O-N 3.36Å; E142-S145 WeakPolarHBondContact O-CB 3.46Å; E142-S145 PolarHBondContact O-N 2.73Å; K143-S145 VanDerWaalsContact C-N 3.26Å; K143-S145 PolarHBondContact O-N 2.85Å; S145-M149 WeakPolarHBondContact O-CB 3.48Å; S145-M149 PolarHBondContact O-N 2.89Å |
| 146 | G | 87.8 | Confident | 91.1 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | E142 K143 Q144 M149 K150 | E142-G146 PolarHBondContact O-N 3.26Å; K143-G146 WeakPolarHBondContact O-CA 3.36Å; K143-G146 PolarHBondContact O-N 2.9Å; Q144-G146 VanDerWaalsContact C-N 3.32Å; Q144-G146 PolarHBondContact O-N 3.39Å; G146-M149 PolarHBondContact O-N 3.3Å; G146-K150 PolarHBondContact O-N 3.37Å |
| 147 | D | 89.5 | Confident | 90.8 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 177.4 | -68.6 | -28 | 0 | 0 | 0 | 111.8 | K143 Q144 K150 K151 | K143-D147 PolarHBondContact O-N 3.38Å; Q144-D147 PolarHBondContact O-N 2.97Å; D147-K150 WeakPolarHBondContact O-CB 3.41Å; D147-K150 PolarHBondContact O-N 2.96Å; D147-K151 PolarHBondContact O-N 2.95Å |
| 148 | D | 90 | Very high | 90.7 | Very high | 33 Ų | 33 | 52 Ų | 52 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174 | -69.6 | -19.3 | 0 | 0 | 0 | 111.3 | Q36 Q144 K150 K151 Y152 | Q36-D148 PolarHBondContact NE2-OD2 3Å; Q144-D148 PolarHBondContact NE2-OD1 3.4Å; Q144-D148 VanDerWaalsContact O-CG 3.27Å; Q144-D148 PolarHBondContact O-N 2.9Å; D148-K150 VanDerWaalsContact C-N 3.32Å; D148-K150 PolarHBondContact O-N 3.28Å; D148-K151 WeakPolarHBondContact O-CB 3.39Å; D148-K151 PolarHBondContact O-N 3.37Å; D148-Y152 HydrophobicContact CB-CE2 3.85Å; D148-Y152 WeakPolarHBondContact O-CD2 3.17Å; D148-Y152 WeakPolarHBondContact O-CE2 3.36Å; D148-Y152 VanDerWaalsContact O-CG 3.24Å; D148-Y152 PolarHBondContact O-N 2.94Å |
| 149 | M | 86.5 | Confident | 90.6 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 20% | 0.197 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.2 | -178.8 | 55.3 | 68.5 | 0 | 0 | 111.7 | L113 M116 S145 G146 K151 Y152 V153 F242 | L113-M149 HydrophobicContact CD2-CE 4.26Å; M116-M149 HydrophobicContact CE-CB 4.21Å; M116-M149 HydrophobicContact CE-CE 3.32Å; M116-M149 HydrophobicContact SD-CE 3.17Å; M116-M149 WeakPolarHBondContact SD-CE 3.44Å; S145-M149 WeakPolarHBondContact O-CB 3.48Å; S145-M149 PolarHBondContact O-N 2.89Å; G146-M149 PolarHBondContact O-N 3.3Å; M149-K151 VanDerWaalsContact C-N 3.33Å; M149-K151 PolarHBondContact O-N 2.96Å; M149-Y152 PolarHBondContact O-N 2.05Å; M149-V153 WeakPolarHBondContact O-CG2 3.23Å; M149-V153 PolarHBondContact O-N 3.31Å; M149-V153 HydrophobicContact SD-CG2 4.38Å; M149-F242 HydrophobicContact CB-CE1 4.35Å; M149-F242 HydrophobicContact CG-CE1 3.86Å; M149-F242 HydrophobicContact CG-CE2 4.41Å; M149-F242 HydrophobicContact CG-CZ 3.58Å |
| 150 | K | 87.4 | Confident | 90.4 | Very high | 72 Ų | 72 | 49 Ų | 49 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 174.7 | -177.2 | -178.3 | 176.3 | -176.4 | 0 | 111.1 | G146 D147 D148 Y152 V153 D154 F242 | G146-K150 PolarHBondContact O-N 3.37Å; D147-K150 WeakPolarHBondContact O-CB 3.41Å; D147-K150 PolarHBondContact O-N 2.96Å; D148-K150 VanDerWaalsContact C-N 3.32Å; D148-K150 PolarHBondContact O-N 3.28Å; K150-Y152 PolarHBondContact O-N 2.92Å; K150-V153 WeakPolarHBondContact O-CB 3.47Å; K150-V153 PolarHBondContact O-N 3.23Å; K150-D154 PolarHBondContact O-N 3.32Å; K150-F242 HydrophobicContact CB-CB 4.21Å; K150-F242 HydrophobicContact CB-CG 4.39Å; K150-F242 HydrophobicContact CD-CB 4.19Å; K150-F242 HydrophobicContact CG-CB 4.14Å |
| 151 | K | 90.7 | Very high | 90.2 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 175.3 | -177.4 | 179.3 | -179.7 | 175.3 | 0 | 112.3 | D147 D148 M149 V153 D154 E155 | D147-K151 PolarHBondContact O-N 2.95Å; D148-K151 WeakPolarHBondContact O-CB 3.39Å; D148-K151 PolarHBondContact O-N 3.37Å; M149-K151 VanDerWaalsContact C-N 3.33Å; M149-K151 PolarHBondContact O-N 2.96Å; K151-V153 PolarHBondContact O-N 2.92Å; K151-D154 WeakPolarHBondContact O-CB 3.4Å; K151-D154 PolarHBondContact O-N 3.03Å; K151-E155 WeakPolarHBondContact O-CG 2.93Å; K151-E155 PolarHBondContact O-N 2.69Å |
| 152 | Y | 90.8 | Very high | 90 | Very high | 27 Ų | 27 | 51.3 Ų | 51.3 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.7 | -64 | -38.4 | 0 | 0 | 0 | 112.3 | V27 K30 A31 D148 M149 K150 E155 I156 | V27-Y152 HydrophobicContact CG1-CD1 3.89Å; V27-Y152 HydrophobicContact CG1-CG 3.83Å; K30-Y152 HydrophobicContact CD-CE1 4.36Å; K30-Y152 HydrophobicContact CG-CE1 4.3Å; A31-Y152 WeakPolarHBondContact CA-OH 3.46Å; A31-Y152 HydrophobicContact CB-CD2 4.22Å; A31-Y152 HydrophobicContact CB-CE1 4.39Å; A31-Y152 HydrophobicContact CB-CE2 3.71Å; D148-Y152 HydrophobicContact CB-CE2 3.85Å; D148-Y152 WeakPolarHBondContact O-CD2 3.17Å; D148-Y152 WeakPolarHBondContact O-CE2 3.36Å; D148-Y152 VanDerWaalsContact O-CG 3.24Å; D148-Y152 PolarHBondContact O-N 2.94Å; M149-Y152 PolarHBondContact O-N 2.05Å; K150-Y152 PolarHBondContact O-N 2.92Å; Y152-E155 PolarHBondContact O-N 2.87Å; Y152-I156 WeakPolarHBondContact O-CG1 3.31Å; Y152-I156 PolarHBondContact O-N 2.69Å |
| 153 | V | 88 | Confident | 90 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 172.8 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | M149 K150 K151 E155 I156 C157 V238 K239 F242 | M149-V153 WeakPolarHBondContact O-CG2 3.23Å; M149-V153 PolarHBondContact O-N 3.31Å; M149-V153 HydrophobicContact SD-CG2 4.38Å; K150-V153 WeakPolarHBondContact O-CB 3.47Å; K150-V153 PolarHBondContact O-N 3.23Å; K151-V153 PolarHBondContact O-N 2.92Å; V153-E155 VanDerWaalsContact C-N 3.34Å; V153-E155 PolarHBondContact O-N 3.34Å; V153-I156 PolarHBondContact O-N 2.68Å; V153-C157 VanDerWaalsContact O-CB 3.24Å; V153-C157 WeakPolarHBondContact O-CB 3.29Å; V153-C157 PolarHBondContact O-N 2.72Å; V153-C157 PolarHBondContact O-SG 2.92Å; V153-V238 HydrophobicContact CB-CG1 4.49Å; V153-V238 HydrophobicContact CG1-CB 4.31Å; V153-V238 HydrophobicContact CG1-CG1 3.8Å; V153-V238 HydrophobicContact CG2-CG1 3.83Å; V153-K239 HydrophobicContact CG1-CG 3.94Å; V153-F242 HydrophobicContact CG2-CE2 4.17Å |
| 154 | D | 90.2 | Very high | 89.8 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 176.5 | -72.3 | -29.1 | 0 | 0 | 0 | 112 | K150 K151 C157 A158 K239 | K150-D154 PolarHBondContact O-N 3.32Å; K151-D154 WeakPolarHBondContact O-CB 3.4Å; K151-D154 PolarHBondContact O-N 3.03Å; D154-C157 PolarHBondContact O-N 3.02Å; D154-A158 WeakPolarHBondContact O-CB 3.45Å; D154-A158 PolarHBondContact O-N 3.43Å; D154-K239 WeakPolarHBondContact OD1-CD 2.96Å; D154-K239 WeakPolarHBondContact OD1-CE 3.38Å; D154-K239 IonicContact OD1-NZ 3.6Å; D154-K239 PolarHBondContact OD1-NZ 3.22Å |
| 155 | E | 91.8 | Very high | 89.6 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 176.2 | -73.6 | -178.4 | -155.5 | 0 | 0 | 112 | V27 K30 K151 Y152 V153 C157 A158 A159 | V27-E155 HydrophobicContact CG2-CB 4.03Å; K30-E155 IonicContact NZ-OE1 3.35Å; K30-E155 PolarHBondContact NZ-OE1 2.94Å; K30-E155 IonicContact NZ-OE2 3.69Å; K30-E155 PolarHBondContact NZ-OE2 3.32Å; K151-E155 WeakPolarHBondContact O-CG 2.93Å; K151-E155 PolarHBondContact O-N 2.69Å; Y152-E155 PolarHBondContact O-N 2.87Å; V153-E155 VanDerWaalsContact C-N 3.34Å; V153-E155 PolarHBondContact O-N 3.34Å; E155-C157 PolarHBondContact O-N 3.1Å; E155-A158 PolarHBondContact O-N 3.39Å; E155-A159 WeakPolarHBondContact O-CB 3.35Å; E155-A159 PolarHBondContact O-N 3.01Å |
| 156 | I | 91.2 | Very high | 89.3 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 175.5 | -68 | 173.4 | 0 | 0 | 0 | 110.5 | M20 F24 V27 Y152 V153 A159 K160 | M20-I156 HydrophobicContact CE-CG2 3.94Å; F24-I156 HydrophobicContact CD2-CD1 4.47Å; V27-I156 HydrophobicContact CB-CD1 4.47Å; V27-I156 HydrophobicContact CB-CG1 4.31Å; V27-I156 HydrophobicContact CG1-CD1 4.12Å; V27-I156 HydrophobicContact CG1-CG1 4.33Å; V27-I156 HydrophobicContact CG2-CG1 3.95Å; Y152-I156 WeakPolarHBondContact O-CG1 3.31Å; Y152-I156 PolarHBondContact O-N 2.69Å; V153-I156 PolarHBondContact O-N 2.68Å; I156-A159 PolarHBondContact O-N 2.72Å; I156-K160 WeakPolarHBondContact O-CB 3.28Å; I156-K160 PolarHBondContact O-N 3.08Å |
| 157 | C | 90.8 | Very high | 89 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.9 | -40.3 | -178.8 | -75.9 | 0 | 0 | 0 | 0 | 113.8 | V153 D154 E155 A159 K160 N161 C235 | V153-C157 VanDerWaalsContact O-CB 3.24Å; V153-C157 WeakPolarHBondContact O-CB 3.29Å; V153-C157 PolarHBondContact O-N 2.72Å; V153-C157 PolarHBondContact O-SG 2.92Å; D154-C157 PolarHBondContact O-N 3.02Å; E155-C157 PolarHBondContact O-N 3.1Å; C157-A159 VanDerWaalsContact C-N 3.31Å; C157-K160 WeakPolarHBondContact O-CB 3.21Å; C157-K160 PolarHBondContact O-N 3.45Å; C157-N161 PolarHBondContact O-N 2.8Å; C157-N161 VanDerWaalsContact O-N 3.1Å; C157-C235 WeakPolarHBondContact CA-SG 3.3Å; C157-C235 HydrophobicContact CB-CB 3.67Å; C157-C235 WeakPolarHBondContact CB-SG 3.49Å; C157-C235 WeakPolarHBondContact SG-CA 3.47Å; C157-C235 WeakPolarHBondContact SG-CB 3.11Å; C157-C235 CovalentContact SG-SG 2.02Å; C157-C235 PolarHBondContact SG-SG 2.02Å |
| 158 | A | 91.9 | Very high | 88.5 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D154 E155 K160 N161 A162 | D154-A158 WeakPolarHBondContact O-CB 3.45Å; D154-A158 PolarHBondContact O-N 3.43Å; E155-A158 PolarHBondContact O-N 3.39Å; A158-K160 PolarHBondContact O-N 3.45Å; A158-N161 PolarHBondContact O-N 3.28Å; A158-A162 PolarHBondContact O-N 3.25Å |
| 159 | A | 91.8 | Very high | 88 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A23 E155 I156 C157 N161 A162 C163 | A23-A159 HydrophobicContact CB-CB 3.4Å; E155-A159 WeakPolarHBondContact O-CB 3.35Å; E155-A159 PolarHBondContact O-N 3.01Å; I156-A159 PolarHBondContact O-N 2.72Å; C157-A159 VanDerWaalsContact C-N 3.31Å; A159-N161 VanDerWaalsContact C-N 3.32Å; A159-N161 PolarHBondContact O-N 3.43Å; A159-A162 CarbonylContact O-C 3.6Å; A159-A162 PolarHBondContact O-N 3.36Å; A159-C163 WeakPolarHBondContact O-CB 3.18Å; A159-C163 PolarHBondContact O-N 2.7Å; A159-C163 PolarHBondContact O-SG 2.63Å |
| 160 | K | 89.4 | Confident | 87.8 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -52.8 | -50.5 | 174.1 | -176.9 | -152.8 | 66.6 | 165.2 | 0 | 111.1 | M20 I156 C157 A158 A162 C163 V164 D233 | M20-K160 HydrophobicContact CE-CB 4.23Å; M20-K160 WeakPolarHBondContact SD-CA 3.38Å; M20-K160 HydrophobicContact SD-CB 3.91Å; M20-K160 HydrophobicContact SD-CG 4.43Å; I156-K160 WeakPolarHBondContact O-CB 3.28Å; I156-K160 PolarHBondContact O-N 3.08Å; C157-K160 WeakPolarHBondContact O-CB 3.21Å; C157-K160 PolarHBondContact O-N 3.45Å; A158-K160 PolarHBondContact O-N 3.45Å; K160-A162 PolarHBondContact O-N 3.48Å; K160-C163 PolarHBondContact O-N 3.01Å; K160-V164 HydrophobicContact CG-CG2 4.46Å; K160-V164 WeakPolarHBondContact O-CB 3.25Å; K160-V164 WeakPolarHBondContact O-CG2 2.94Å; K160-V164 PolarHBondContact O-N 3.39Å; K160-D233 IonicContact NZ-OD1 2.7Å; K160-D233 PolarHBondContact NZ-OD1 2.89Å; K160-D233 IonicContact NZ-OD2 3.42Å; K160-D233 PolarHBondContact NZ-OD2 3.47Å; K160-D233 VanDerWaalsContact NZ-OD2 3.11Å |
| 161 | N | 89.4 | Confident | 87.7 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | -180 | -69 | -12.8 | 0 | 0 | 0 | 111.6 | C157 A158 A159 V164 A165 | C157-N161 PolarHBondContact O-N 2.8Å; C157-N161 VanDerWaalsContact O-N 3.1Å; A158-N161 PolarHBondContact O-N 3.28Å; A159-N161 VanDerWaalsContact C-N 3.32Å; A159-N161 PolarHBondContact O-N 3.43Å; N161-V164 PolarHBondContact O-N 2.99Å; N161-A165 WeakPolarHBondContact O-CB 3.46Å; N161-A165 PolarHBondContact O-N 3.45Å |
| 162 | A | 90.9 | Very high | 87.4 | Confident | 58 Ų | 58 | 51.9 Ų | 51.9 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A158 A159 K160 | A158-A162 PolarHBondContact O-N 3.25Å; A159-A162 CarbonylContact O-C 3.6Å; A159-A162 PolarHBondContact O-N 3.36Å; K160-A162 PolarHBondContact O-N 3.48Å |
| 163 | C | 89.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.027 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.5 | -41.5 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | F16 C19 M20 A159 K160 A165 K166 | F16-C163 HydrophobicContact CD2-CB 3.72Å; F16-C163 HydrophobicContact CE2-CB 3.84Å; C19-C163 VanDerWaalsContact C-SG 3.54Å; C19-C163 HydrophobicContact CB-CB 3.75Å; C19-C163 WeakPolarHBondContact CB-SG 3.49Å; C19-C163 VanDerWaalsContact SG-CA 3.55Å; C19-C163 WeakPolarHBondContact SG-CB 3.44Å; C19-C163 CovalentContact SG-SG 2.03Å; C19-C163 PolarHBondContact SG-SG 3.18Å; M20-C163 HydrophobicContact CG-CB 4.46Å; M20-C163 HydrophobicContact SD-CB 4.37Å; A159-C163 WeakPolarHBondContact O-CB 3.18Å; A159-C163 PolarHBondContact O-N 2.7Å; A159-C163 PolarHBondContact O-SG 2.63Å; K160-C163 PolarHBondContact O-N 3.01Å; C163-A165 VanDerWaalsContact C-N 3.32Å; C163-A165 PolarHBondContact O-N 2.84Å; C163-K166 PolarHBondContact O-N 3.31Å |
| 164 | V | 86.8 | Confident | 86.8 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.5 | -32.8 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | F16 K160 N161 K166 I167 K172 | F16-V164 HydrophobicContact CD2-CG2 4.14Å; F16-V164 HydrophobicContact CE2-CG2 3.55Å; F16-V164 HydrophobicContact CZ-CG2 4.33Å; K160-V164 HydrophobicContact CG-CG2 4.46Å; K160-V164 WeakPolarHBondContact O-CB 3.25Å; K160-V164 WeakPolarHBondContact O-CG2 2.94Å; K160-V164 PolarHBondContact O-N 3.39Å; N161-V164 PolarHBondContact O-N 2.99Å; V164-K166 PolarHBondContact O-N 3.43Å; V164-K166 VanDerWaalsContact O-N 3.12Å; V164-I167 VanDerWaalsContact O-CB 3.31Å; V164-I167 WeakPolarHBondContact O-CB 3.49Å; V164-I167 PolarHBondContact O-N 3.19Å; V164-K172 HydrophobicContact CG1-CD 3.96Å; V164-K172 HydrophobicContact CG1-CG 4.06Å |
| 165 | A | 86.9 | Confident | 86.4 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N161 C163 I167 | N161-A165 WeakPolarHBondContact O-CB 3.46Å; N161-A165 PolarHBondContact O-N 3.45Å; C163-A165 VanDerWaalsContact C-N 3.32Å; C163-A165 PolarHBondContact O-N 2.84Å; A165-I167 VanDerWaalsContact C-N 3.3Å |
| 166 | K | 83.1 | Confident | 85.9 | Confident | 153 Ų | 153 | 58.1 Ų | 58.1 | 67% | 0.665 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -4.3 | 176.4 | -59.2 | -179.6 | -179.5 | -176.7 | 0 | 113.6 | C163 V164 | C163-K166 PolarHBondContact O-N 3.31Å; V164-K166 PolarHBondContact O-N 3.43Å; V164-K166 VanDerWaalsContact O-N 3.12Å |
| 167 | I | 82.6 | Confident | 85.5 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -94.8 | 127.5 | -176.8 | -54.5 | -176.4 | 0 | 0 | 0 | 109.2 | V12 F16 V164 A165 C171 K172 L175 | V12-I167 HydrophobicContact CG1-CB 3.83Å; V12-I167 HydrophobicContact CG1-CD1 4.44Å; V12-I167 HydrophobicContact CG1-CG1 3.7Å; V12-I167 HydrophobicContact CG1-CG2 3.55Å; F16-I167 HydrophobicContact CB-CD1 3.95Å; F16-I167 HydrophobicContact CD2-CD1 3.84Å; F16-I167 HydrophobicContact CG-CD1 4.03Å; V164-I167 VanDerWaalsContact O-CB 3.31Å; V164-I167 WeakPolarHBondContact O-CB 3.49Å; V164-I167 PolarHBondContact O-N 3.19Å; A165-I167 VanDerWaalsContact C-N 3.3Å; I167-C171 HydrophobicContact CG2-CB 3.79Å; I167-K172 HydrophobicContact CB-CB 4.36Å; I167-K172 HydrophobicContact CG2-CB 3.82Å; I167-K172 VanDerWaalsContact CG2-N 3.32Å; I167-L175 HydrophobicContact CD1-CD2 3.44Å; I167-L175 VanDerWaalsContact CD1-CD2 3.44Å |
| 168 | T | 78.7 | Confident | 85.1 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | trans | -65.1 | 152.3 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | C171 K172 | T168-C171 PolarHBondContact O-N 2.87Å; T168-C171 VanDerWaalsContact O-N 3.12Å; T168-K172 WeakPolarHBondContact O-CB 3.45Å; T168-K172 PolarHBondContact O-N 2.88Å | ||
| 169 | G | 79 | Confident | 84.6 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 54% | 0.536 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -47.2 | -55.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | C171 K172 K173 | G169-C171 PolarHBondContact O-N 3.19Å; G169-K172 WeakPolarHBondContact O-CB 3.34Å; G169-K172 PolarHBondContact O-N 3.46Å; G169-K173 PolarHBondContact O-N 3.23Å |
| 170 | P | 84 | Confident | 84.3 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 70% | 0.695 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | -179.8 | -24.9 | 34.7 | 0 | 0 | 0 | 113.5 | K174 | P170-K174 PolarHBondContact O-N 3.33Å; P170-K174 VanDerWaalsContact O-N 3.16Å |
| 171 | C | 85 | Confident | 84.2 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.1 | -32.2 | 177.1 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | C9 V12 Y13 I167 T168 G169 L175 | C9-C171 WeakPolarHBondContact CA-SG 3.49Å; C9-C171 HydrophobicContact CB-CB 3.77Å; C9-C171 WeakPolarHBondContact CB-SG 3.41Å; C9-C171 WeakPolarHBondContact SG-CA 3.47Å; C9-C171 WeakPolarHBondContact SG-CB 3.31Å; C9-C171 CovalentContact SG-SG 2.05Å; C9-C171 PolarHBondContact SG-SG 3.47Å; V12-C171 HydrophobicContact CG1-CB 4.5Å; Y13-C171 HydrophobicContact CE1-CB 4.4Å; Y13-C171 PolarHBondContact OH-O 2.89Å; I167-C171 HydrophobicContact CG2-CB 3.79Å; T168-C171 PolarHBondContact O-N 2.87Å; T168-C171 VanDerWaalsContact O-N 3.12Å; G169-C171 PolarHBondContact O-N 3.19Å; C171-L175 WeakPolarHBondContact O-CB 3.37Å; C171-L175 PolarHBondContact O-N 3.37Å |
| 172 | K | 84.3 | Confident | 84.1 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 42% | 0.422 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 174.9 | -177.8 | 178 | 174.6 | -178.1 | 0 | 110.8 | V164 I167 T168 G169 K174 L175 E176 | V164-K172 HydrophobicContact CG1-CD 3.96Å; V164-K172 HydrophobicContact CG1-CG 4.06Å; I167-K172 HydrophobicContact CB-CB 4.36Å; I167-K172 HydrophobicContact CG2-CB 3.82Å; I167-K172 VanDerWaalsContact CG2-N 3.32Å; T168-K172 WeakPolarHBondContact O-CB 3.45Å; T168-K172 PolarHBondContact O-N 2.88Å; G169-K172 WeakPolarHBondContact O-CB 3.34Å; G169-K172 PolarHBondContact O-N 3.46Å; K172-K174 PolarHBondContact O-N 3.21Å; K172-L175 PolarHBondContact O-N 2.84Å; K172-E176 WeakPolarHBondContact O-CG 3.49Å; K172-E176 PolarHBondContact O-N 3Å |
| 173 | K | 84 | Confident | 83.9 | Confident | 149 Ų | 149 | 58.8 Ų | 58.8 | 65% | 0.648 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.8 | -49.1 | 176.1 | -174.9 | 174.8 | 179.7 | 177.5 | 0 | 111.2 | G169 L175 E176 D177 | G169-K173 PolarHBondContact O-N 3.23Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.5Å; K173-E176 PolarHBondContact O-N 3.4Å; K173-D177 VanDerWaalsContact O-CG 3.28Å; K173-D177 PolarHBondContact O-N 3.24Å |
| 174 | K | 82.3 | Confident | 83.9 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 24% | 0.235 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -37.6 | 178.2 | -172.1 | 175.9 | -178.1 | 164.2 | 0 | 113.2 | A5 Y13 P170 K172 Q178 | A5-K174 PolarHBondContact O-NZ 2.97Å; Y13-K174 WeakPolarHBondContact OH-CB 3.18Å; Y13-K174 WeakPolarHBondContact OH-CG 3.49Å; P170-K174 PolarHBondContact O-N 3.33Å; P170-K174 VanDerWaalsContact O-N 3.16Å; K172-K174 PolarHBondContact O-N 3.21Å; K174-Q178 WeakPolarHBondContact O-CB 3.5Å; K174-Q178 VanDerWaalsContact O-CG 3.24Å; K174-Q178 WeakPolarHBondContact O-CG 3.49Å; K174-Q178 PolarHBondContact O-N 3.24Å |
| 175 | L | 80.4 | Confident | 84.1 | Confident | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.8 | -179.9 | 63.7 | 0 | 0 | 0 | 111.4 | Y13 F16 I167 C171 K172 K173 Q178 K179 | Y13-L175 HydrophobicContact CD1-CD1 4.28Å; Y13-L175 HydrophobicContact CE1-CB 3.77Å; Y13-L175 HydrophobicContact CE1-CD1 4.12Å; Y13-L175 HydrophobicContact CE1-CG 4.39Å; Y13-L175 PolarHBondContact OH-N 3Å; F16-L175 HydrophobicContact CD1-CD2 4.35Å; F16-L175 HydrophobicContact CE1-CD2 4.49Å; F16-L175 HydrophobicContact CG-CD2 4.39Å; I167-L175 HydrophobicContact CD1-CD2 3.44Å; I167-L175 VanDerWaalsContact CD1-CD2 3.44Å; C171-L175 WeakPolarHBondContact O-CB 3.37Å; C171-L175 PolarHBondContact O-N 3.37Å; K172-L175 PolarHBondContact O-N 2.84Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.5Å; L175-Q178 PolarHBondContact O-N 3.24Å; L175-K179 HydrophobicContact CG-CD 4.36Å; L175-K179 WeakPolarHBondContact O-CB 3.48Å; L175-K179 VanDerWaalsContact O-CG 3.31Å; L175-K179 WeakPolarHBondContact O-CG 3.16Å; L175-K179 PolarHBondContact O-N 2.85Å |
| 176 | E | 81.7 | Confident | 84.2 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 179.5 | -66.4 | -55.1 | 131.9 | 0 | 0 | 111.8 | K172 K173 Q178 K179 H180 | K172-E176 WeakPolarHBondContact O-CG 3.49Å; K172-E176 PolarHBondContact O-N 3Å; K173-E176 PolarHBondContact O-N 3.4Å; E176-Q178 PolarHBondContact O-N 3.13Å; E176-K179 WeakPolarHBondContact O-CB 3.49Å; E176-K179 PolarHBondContact O-N 2.96Å; E176-K179 IonicContact OE1-NZ 3.11Å; E176-K179 PolarHBondContact OE1-NZ 3.26Å; E176-H180 WeakPolarHBondContact O-CB 3.35Å; E176-H180 PolarHBondContact O-N 3.03Å |
| 177 | D | 83.5 | Confident | 84.6 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 47% | 0.465 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 174.1 | -66.5 | -19.9 | 0 | 0 | 0 | 111 | K173 K179 H180 D181 | K173-D177 VanDerWaalsContact O-CG 3.28Å; K173-D177 PolarHBondContact O-N 3.24Å; D177-K179 PolarHBondContact O-N 3.39Å; D177-H180 PolarHBondContact O-N 3.12Å; D177-D181 PolarHBondContact O-N 3.39Å |
| 178 | Q | 82.1 | Confident | 85 | Confident | 46 Ų | 46 | 55 Ų | 55 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 176.8 | -76.2 | -178.9 | -23.9 | 0 | 0 | 112.8 | V86 K174 L175 E176 L182 | V86-Q178 HydrophobicContact CG2-CG 4.41Å; K174-Q178 WeakPolarHBondContact O-CB 3.5Å; K174-Q178 VanDerWaalsContact O-CG 3.24Å; K174-Q178 WeakPolarHBondContact O-CG 3.49Å; K174-Q178 PolarHBondContact O-N 3.24Å; L175-Q178 PolarHBondContact O-N 3.24Å; E176-Q178 PolarHBondContact O-N 3.13Å; Q178-L182 WeakPolarHBondContact O-CB 3.16Å; Q178-L182 PolarHBondContact O-N 2.7Å |
| 179 | K | 82.3 | Confident | 85.5 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -47 | 175.5 | -80.2 | 172.9 | 176.7 | 172 | 0 | 111.5 | L175 E176 D177 D181 L182 I183 | L175-K179 HydrophobicContact CG-CD 4.36Å; L175-K179 WeakPolarHBondContact O-CB 3.48Å; L175-K179 VanDerWaalsContact O-CG 3.31Å; L175-K179 WeakPolarHBondContact O-CG 3.16Å; L175-K179 PolarHBondContact O-N 2.85Å; E176-K179 WeakPolarHBondContact O-CB 3.49Å; E176-K179 PolarHBondContact O-N 2.96Å; E176-K179 IonicContact OE1-NZ 3.11Å; E176-K179 PolarHBondContact OE1-NZ 3.26Å; D177-K179 PolarHBondContact O-N 3.39Å; K179-D181 VanDerWaalsContact C-N 3.31Å; K179-D181 PolarHBondContact O-N 3.05Å; K179-L182 PolarHBondContact O-N 3.34Å; K179-I183 WeakPolarHBondContact O-CB 3.41Å; K179-I183 VanDerWaalsContact O-CG1 3.25Å; K179-I183 WeakPolarHBondContact O-CG1 3.35Å; K179-I183 PolarHBondContact O-N 3.27Å |
| 180 | H | 84.4 | Confident | 86 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 35% | 0.347 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 178.8 | 175.7 | -88.3 | 0 | 0 | 0 | 110.8 | E176 D177 I183 K184 A232 | E176-H180 WeakPolarHBondContact O-CB 3.35Å; E176-H180 PolarHBondContact O-N 3.03Å; D177-H180 PolarHBondContact O-N 3.12Å; H180-I183 PolarHBondContact O-N 2.87Å; H180-K184 WeakPolarHBondContact O-CB 3.35Å; H180-K184 PolarHBondContact O-N 2.82Å; H180-A232 HydrophobicContact CB-CB 4.06Å |
| 181 | D | 87.7 | Confident | 86.3 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 176.9 | -75.7 | -22.2 | 0 | 0 | 0 | 112.8 | M82 K85 D177 K179 I183 K184 C185 | M82-D181 HydrophobicContact CE-CB 4.03Å; M82-D181 VanDerWaalsContact SD-C 3.53Å; M82-D181 HydrophobicContact SD-CB 3.67Å; K85-D181 HydrophobicContact CD-CB 4.33Å; K85-D181 WeakPolarHBondContact CD-OD2 3.47Å; K85-D181 IonicContact NZ-OD1 2.65Å; K85-D181 PolarHBondContact NZ-OD1 3.23Å; K85-D181 IonicContact NZ-OD2 2.73Å; K85-D181 PolarHBondContact NZ-OD2 2.9Å; D177-D181 PolarHBondContact O-N 3.39Å; K179-D181 VanDerWaalsContact C-N 3.31Å; K179-D181 PolarHBondContact O-N 3.05Å; D181-I183 PolarHBondContact O-N 2.85Å; D181-K184 PolarHBondContact O-N 3.37Å; D181-C185 WeakPolarHBondContact O-CB 3.44Å; D181-C185 PolarHBondContact O-N 2.86Å; D181-C185 PolarHBondContact O-SG 3.37Å |
| 182 | L | 86.9 | Confident | 86.4 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 176.8 | -179 | 67.4 | 0 | 0 | 0 | 111.7 | I78 M82 F89 Y91 Q178 K179 C185 A186 | I78-L182 HydrophobicContact CG2-CD1 3.33Å; M82-L182 HydrophobicContact CE-CB 4.46Å; M82-L182 HydrophobicContact CG-CD1 4.27Å; M82-L182 HydrophobicContact SD-CB 4.31Å; M82-L182 PolarHBondContact SD-N 3.47Å; M82-L182 VanDerWaalsContact SD-N 3.43Å; F89-L182 HydrophobicContact CE1-CD1 4.46Å; F89-L182 HydrophobicContact CE2-CD1 4.19Å; F89-L182 HydrophobicContact CZ-CD1 3.57Å; Y91-L182 HydrophobicContact CD2-CD1 4.43Å; Q178-L182 WeakPolarHBondContact O-CB 3.16Å; Q178-L182 PolarHBondContact O-N 2.7Å; K179-L182 PolarHBondContact O-N 3.34Å; L182-C185 PolarHBondContact O-N 2.8Å; L182-A186 WeakPolarHBondContact O-CB 3.25Å; L182-A186 PolarHBondContact O-N 3.18Å |
| 183 | I | 87.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 177.1 | -78.3 | 168.3 | 0 | 0 | 0 | 109.9 | K179 H180 D181 C185 A186 C187 L228 A232 | K179-I183 WeakPolarHBondContact O-CB 3.41Å; K179-I183 VanDerWaalsContact O-CG1 3.25Å; K179-I183 WeakPolarHBondContact O-CG1 3.35Å; K179-I183 PolarHBondContact O-N 3.27Å; H180-I183 PolarHBondContact O-N 2.87Å; D181-I183 PolarHBondContact O-N 2.85Å; I183-C185 PolarHBondContact O-N 2.87Å; I183-A186 PolarHBondContact O-N 3.13Å; I183-C187 VanDerWaalsContact O-CB 3.27Å; I183-C187 WeakPolarHBondContact O-CB 3.19Å; I183-C187 PolarHBondContact O-N 2.98Å; I183-C187 PolarHBondContact O-SG 3.26Å; I183-L228 HydrophobicContact CD1-CD2 4.29Å; I183-L228 HydrophobicContact CG2-CB 3.45Å; I183-L228 VanDerWaalsContact CG2-CB 3.45Å; I183-L228 HydrophobicContact CG2-CD1 4.28Å; I183-L228 HydrophobicContact CG2-CG 4.42Å; I183-A232 HydrophobicContact CD1-CB 4.26Å |
| 184 | K | 88.7 | Confident | 86.9 | Confident | 95 Ų | 95 | 51.6 Ų | 51.6 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.3 | -49.9 | 178.7 | -175.9 | 176.8 | 179.5 | 175.5 | 0 | 110.9 | H180 D181 A186 C187 D188 | H180-K184 WeakPolarHBondContact O-CB 3.35Å; H180-K184 PolarHBondContact O-N 2.82Å; D181-K184 PolarHBondContact O-N 3.37Å; K184-A186 VanDerWaalsContact C-N 3.33Å; K184-A186 PolarHBondContact O-N 3.31Å; K184-C187 PolarHBondContact O-N 3.46Å; K184-D188 WeakPolarHBondContact O-CB 3.29Å; K184-D188 PolarHBondContact O-N 3.26Å |
| 185 | C | 90.4 | Very high | 87.2 | Confident | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | 177.8 | -68.8 | 0 | 0 | 0 | 0 | 113 | C81 D181 L182 I183 | C81-C185 HydrophobicContact CB-CB 3.56Å; C81-C185 WeakPolarHBondContact CB-SG 3.21Å; C81-C185 VanDerWaalsContact SG-CA 3.54Å; C81-C185 WeakPolarHBondContact SG-CB 3.23Å; C81-C185 CovalentContact SG-SG 2.03Å; C81-C185 PolarHBondContact SG-SG 3.35Å; D181-C185 WeakPolarHBondContact O-CB 3.44Å; D181-C185 PolarHBondContact O-N 2.86Å; D181-C185 PolarHBondContact O-SG 3.37Å; L182-C185 PolarHBondContact O-N 2.8Å; I183-C185 PolarHBondContact O-N 2.87Å |
| 186 | A | 90.2 | Very high | 87.7 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I78 L182 I183 K184 E189 I190 | I78-A186 HydrophobicContact CD1-CB 3.75Å; I78-A186 HydrophobicContact CG1-CB 4.09Å; L182-A186 WeakPolarHBondContact O-CB 3.25Å; L182-A186 PolarHBondContact O-N 3.18Å; I183-A186 PolarHBondContact O-N 3.13Å; K184-A186 VanDerWaalsContact C-N 3.33Å; K184-A186 PolarHBondContact O-N 3.31Å; A186-E189 PolarHBondContact O-N 3.5Å; A186-I190 VanDerWaalsContact O-CG1 3.29Å; A186-I190 WeakPolarHBondContact O-CG1 3.07Å; A186-I190 PolarHBondContact O-N 2.95Å |
| 187 | C | 90.8 | Very high | 88 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.8 | -37.9 | -178 | -78.9 | 0 | 0 | 0 | 0 | 113.4 | I183 K184 E189 I190 E191 C225 | I183-C187 VanDerWaalsContact O-CB 3.27Å; I183-C187 WeakPolarHBondContact O-CB 3.19Å; I183-C187 PolarHBondContact O-N 2.98Å; I183-C187 PolarHBondContact O-SG 3.26Å; K184-C187 PolarHBondContact O-N 3.46Å; C187-E189 PolarHBondContact O-N 3.37Å; C187-I190 PolarHBondContact O-N 3.11Å; C187-E191 VanDerWaalsContact O-CB 3.31Å; C187-E191 WeakPolarHBondContact O-CB 3.45Å; C187-E191 VanDerWaalsContact O-CG 3.3Å; C187-E191 WeakPolarHBondContact O-CG 3.33Å; C187-E191 PolarHBondContact O-N 3.01Å; C187-C225 WeakPolarHBondContact CA-SG 3.4Å; C187-C225 HydrophobicContact CB-CB 3.5Å; C187-C225 WeakPolarHBondContact CB-SG 3.33Å; C187-C225 WeakPolarHBondContact SG-CA 3.4Å; C187-C225 WeakPolarHBondContact SG-CB 3.36Å; C187-C225 CovalentContact SG-SG 2.05Å; C187-C225 PolarHBondContact SG-SG 3.39Å |
| 188 | D | 90.7 | Very high | 88.2 | Confident | 59 Ų | 59 | 45.4 Ų | 45.4 | 32% | 0.316 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.4 | -27.7 | 174.4 | -69.1 | -5.3 | 0 | 0 | 0 | 112.1 | K184 R192 R229 | K184-D188 WeakPolarHBondContact O-CB 3.29Å; K184-D188 PolarHBondContact O-N 3.26Å; D188-R192 WeakPolarHBondContact O-CD 3.31Å; D188-R192 VanDerWaalsContact O-CG 3.3Å; D188-R192 WeakPolarHBondContact O-CG 3.46Å; D188-R192 PolarHBondContact O-NE 3.04Å; D188-R192 VanDerWaalsContact O-NE 3.13Å; D188-R229 IonicContact OD1-CZ 3.19Å; D188-R229 IonicContact OD1-NE 2.63Å; D188-R229 IonicContact OD1-NH2 3.16Å; D188-R229 PolarHBondContact OD1-NH2 3.23Å |
| 189 | E | 90.1 | Very high | 88.5 | Confident | 40 Ų | 40 | 46.3 Ų | 46.3 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -86.2 | -45.6 | 175.4 | -178.5 | 69.1 | -139.9 | 0 | 0 | 111.7 | L74 S77 A186 C187 E191 R192 Y197 | L74-E189 HydrophobicContact CD1-CB 3.85Å; L74-E189 HydrophobicContact CD1-CG 3.6Å; S77-E189 VanDerWaalsContact CB-OE2 3.23Å; S77-E189 WeakPolarHBondContact CB-OE2 3.5Å; S77-E189 PolarHBondContact OG-OE2 2.75Å; A186-E189 PolarHBondContact O-N 3.5Å; C187-E189 PolarHBondContact O-N 3.37Å; E189-E191 PolarHBondContact O-N 2.94Å; E189-R192 PolarHBondContact O-N 2.86Å; E189-Y197 HydrophobicContact CG-CE2 4.45Å; E189-Y197 VanDerWaalsContact CG-OH 3.25Å; E189-Y197 WeakPolarHBondContact CG-OH 3.41Å; E189-Y197 PolarHBondContact OE1-OH 3.39Å |
| 190 | I | 89.2 | Confident | 88.8 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 13% | 0.128 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | -178.4 | -70 | 166.4 | 0 | 0 | 0 | 111.9 | L74 A186 C187 R192 D193 P194 Y197 L221 | L74-I190 HydrophobicContact CD1-CG1 4.08Å; L74-I190 HydrophobicContact CD2-CD1 4.23Å; L74-I190 HydrophobicContact CD2-CG1 4.25Å; A186-I190 VanDerWaalsContact O-CG1 3.29Å; A186-I190 WeakPolarHBondContact O-CG1 3.07Å; A186-I190 PolarHBondContact O-N 2.95Å; C187-I190 PolarHBondContact O-N 3.11Å; I190-R192 VanDerWaalsContact C-N 3.26Å; I190-R192 PolarHBondContact O-N 2.04Å; I190-D193 CarbonylContact O-C 3.26Å; I190-D193 PolarHBondContact O-N 2.98Å; I190-P194 WeakPolarHBondContact O-CA 3.38Å; I190-P194 WeakPolarHBondContact O-CD 3.3Å; I190-Y197 HydrophobicContact CB-CD2 4.15Å; I190-Y197 HydrophobicContact CB-CE2 4.46Å; I190-Y197 HydrophobicContact CG1-CD2 4.04Å; I190-Y197 HydrophobicContact CG1-CE2 4.24Å; I190-Y197 HydrophobicContact CG1-CG 4.24Å; I190-Y197 HydrophobicContact CG2-CD2 4.2Å; I190-L221 HydrophobicContact CG2-CB 4.13Å; I190-L221 HydrophobicContact CG2-CD1 4.14Å; I190-L221 HydrophobicContact CG2-CD2 4.32Å; I190-L221 HydrophobicContact CG2-CG 4.43Å |
| 191 | E | 89.3 | Confident | 89 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 29% | 0.29 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.9 | -177.4 | -72.4 | 177.4 | 164.9 | 0 | 0 | 113.9 | C187 E189 D193 P194 C225 R229 | C187-E191 VanDerWaalsContact O-CB 3.31Å; C187-E191 WeakPolarHBondContact O-CB 3.45Å; C187-E191 VanDerWaalsContact O-CG 3.3Å; C187-E191 WeakPolarHBondContact O-CG 3.33Å; C187-E191 PolarHBondContact O-N 3.01Å; E189-E191 PolarHBondContact O-N 2.94Å; E191-D193 VanDerWaalsContact C-N 3.26Å; E191-D193 PolarHBondContact O-N 3.42Å; E191-P194 WeakPolarHBondContact O-CD 2.96Å; E191-C225 HydrophobicContact CG-CB 4.04Å; E191-C225 WeakPolarHBondContact OE1-CB 3.23Å; E191-R229 IonicContact OE1-CZ 2.63Å; E191-R229 IonicContact OE1-NH1 3.49Å; E191-R229 PolarHBondContact OE1-NH1 3.46Å; E191-R229 IonicContact OE1-NH2 3.56Å; E191-R229 IonicContact OE2-CZ 2.78Å; E191-R229 IonicContact OE2-NH1 3.74Å; E191-R229 PolarHBondContact OE2-NH1 3.01Å; E191-R229 IonicContact OE2-NH2 2.63Å; E191-R229 PolarHBondContact OE2-NH2 2.8Å |
| 192 | R | 88.9 | Confident | 88.9 | Confident | 199 Ų | 199 | 44.1 Ų | 44.1 | 75% | 0.751 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.7 | 173.4 | -69.8 | 171 | -174.9 | -148.9 | -6 | 111.8 | D188 E189 I190 | D188-R192 WeakPolarHBondContact O-CD 3.31Å; D188-R192 VanDerWaalsContact O-CG 3.3Å; D188-R192 WeakPolarHBondContact O-CG 3.46Å; D188-R192 PolarHBondContact O-NE 3.04Å; D188-R192 VanDerWaalsContact O-NE 3.13Å; E189-R192 PolarHBondContact O-N 2.86Å; I190-R192 VanDerWaalsContact C-N 3.26Å; I190-R192 PolarHBondContact O-N 2.04Å |
| 193 | D | 90.4 | Very high | 88.8 | Confident | 76 Ų | 76 | 42.3 Ų | 42.3 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | trans | -150.3 | 72 | 178.5 | -167.7 | -10.8 | 0 | 0 | 0 | 111.6 | I190 E191 G195 K196 Y197 | I190-D193 CarbonylContact O-C 3.26Å; I190-D193 PolarHBondContact O-N 2.98Å; E191-D193 VanDerWaalsContact C-N 3.26Å; E191-D193 PolarHBondContact O-N 3.42Å; D193-G195 PolarHBondContact O-N 2.99Å; D193-G195 PolarHBondContact OD1-N 3.39Å; D193-K196 HydrophobicContact CB-CB 4.08Å; D193-K196 PolarHBondContact O-N 3.26Å; D193-K196 WeakPolarHBondContact OD1-CB 3.36Å; D193-K196 PolarHBondContact OD1-N 3.24Å; D193-K196 WeakPolarHBondContact OD2-CB 3.34Å; D193-Y197 WeakPolarHBondContact O-CD2 3.42Å; D193-Y197 PolarHBondContact O-N 2.93Å | ||
| 194 | P | 87.1 | Confident | 88.7 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 17% | 0.169 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -23.3 | -179.9 | 26.2 | -34.7 | 0 | 0 | 0 | 111.8 | I190 E191 A198 L221 P222 | I190-P194 WeakPolarHBondContact O-CA 3.38Å; I190-P194 WeakPolarHBondContact O-CD 3.3Å; E191-P194 WeakPolarHBondContact O-CD 2.96Å; P194-A198 WeakPolarHBondContact O-CB 3.19Å; P194-A198 PolarHBondContact O-N 2.93Å; P194-L221 HydrophobicContact CB-CB 4.47Å; P194-P222 HydrophobicContact CB-CG 4.06Å; P194-P222 HydrophobicContact CG-CG 4.18Å |
| 195 | G | 89 | Confident | 88.4 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -51.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | D193 Y197 A198 H199 | D193-G195 PolarHBondContact O-N 2.99Å; D193-G195 PolarHBondContact OD1-N 3.39Å; G195-Y197 PolarHBondContact O-N 3.34Å; G195-A198 PolarHBondContact O-N 2.67Å; G195-H199 VanDerWaalsContact O-CB 3.28Å; G195-H199 WeakPolarHBondContact O-CB 3.45Å; G195-H199 PolarHBondContact O-N 2.89Å |
| 196 | K | 90.3 | Very high | 88 | Confident | 65 Ų | 65 | 38.8 Ų | 38.8 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.1 | -48.2 | 176 | 174.6 | -173.9 | -180 | -169.3 | 0 | 112.2 | V70 Q73 D193 E200 | V70-K196 HydrophobicContact CG1-CD 4.37Å; V70-K196 HydrophobicContact CG1-CG 4.11Å; V70-K196 VanDerWaalsContact CG2-CE 3.44Å; V70-K196 HydrophobicContact CG2-CG 4.4Å; Q73-K196 VanDerWaalsContact OE1-NZ 3.08Å; D193-K196 HydrophobicContact CB-CB 4.08Å; D193-K196 PolarHBondContact O-N 3.26Å; D193-K196 WeakPolarHBondContact OD1-CB 3.36Å; D193-K196 PolarHBondContact OD1-N 3.24Å; D193-K196 WeakPolarHBondContact OD2-CB 3.34Å; K196-E200 WeakPolarHBondContact O-CB 3.16Å; K196-E200 WeakPolarHBondContact O-CG 3.32Å; K196-E200 PolarHBondContact O-N 2.96Å |
| 197 | Y | 88.5 | Confident | 87.6 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.2 | -39.4 | -178.6 | -69.7 | -68.8 | 0 | 0 | 0 | 112.9 | V70 L74 E189 I190 D193 G195 F201 | V70-Y197 HydrophobicContact CG1-CD1 3.72Å; V70-Y197 HydrophobicContact CG1-CE1 3.56Å; L74-Y197 HydrophobicContact CB-CE1 3.87Å; L74-Y197 HydrophobicContact CD1-CE1 4.39Å; L74-Y197 HydrophobicContact CD2-CD1 4.34Å; L74-Y197 HydrophobicContact CD2-CE1 4.02Å; L74-Y197 HydrophobicContact CG-CE1 4.31Å; E189-Y197 HydrophobicContact CG-CE2 4.45Å; E189-Y197 VanDerWaalsContact CG-OH 3.25Å; E189-Y197 WeakPolarHBondContact CG-OH 3.41Å; E189-Y197 PolarHBondContact OE1-OH 3.39Å; I190-Y197 HydrophobicContact CB-CD2 4.15Å; I190-Y197 HydrophobicContact CB-CE2 4.46Å; I190-Y197 HydrophobicContact CG1-CD2 4.04Å; I190-Y197 HydrophobicContact CG1-CE2 4.24Å; I190-Y197 HydrophobicContact CG1-CG 4.24Å; I190-Y197 HydrophobicContact CG2-CD2 4.2Å; D193-Y197 WeakPolarHBondContact O-CD2 3.42Å; D193-Y197 PolarHBondContact O-N 2.93Å; G195-Y197 PolarHBondContact O-N 3.34Å; Y197-F201 WeakPolarHBondContact O-CB 3.39Å; Y197-F201 PolarHBondContact O-N 3.45Å |
| 198 | A | 87.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -48 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P194 G195 F201 M202 I217 K218 L221 | P194-A198 WeakPolarHBondContact O-CB 3.19Å; P194-A198 PolarHBondContact O-N 2.93Å; G195-A198 PolarHBondContact O-N 2.67Å; A198-F201 PolarHBondContact O-N 2.96Å; A198-M202 WeakPolarHBondContact O-CG 3.36Å; A198-M202 PolarHBondContact O-N 3.21Å; A198-I217 HydrophobicContact CB-CB 4.16Å; A198-I217 HydrophobicContact CB-CG2 3.69Å; A198-K218 HydrophobicContact CB-CB 4.07Å; A198-L221 HydrophobicContact CB-CD1 4.24Å |
| 199 | H | 88.9 | Confident | 86.1 | Confident | 64 Ų | 64 | 42.2 Ų | 42.2 | 30% | 0.296 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.9 | -49 | -180 | -173.7 | 73 | 0 | 0 | 0 | 112.1 | G195 F201 M202 G203 K208 E214 | G195-H199 VanDerWaalsContact O-CB 3.28Å; G195-H199 WeakPolarHBondContact O-CB 3.45Å; G195-H199 PolarHBondContact O-N 2.89Å; H199-F201 PolarHBondContact O-N 3.43Å; H199-M202 PolarHBondContact O-N 3.12Å; H199-G203 PolarHBondContact O-N 3.46Å; H199-K208 PolarHBondContact NE2-NZ 3.5Å; H199-E214 WeakPolarHBondContact CA-OE1 3.44Å; H199-E214 WeakPolarHBondContact CB-OE1 3.1Å; H199-E214 IonicContact CG-OE1 2.93Å; H199-E214 IonicContact ND1-OE1 3.73Å; H199-E214 PolarHBondContact ND1-OE1 3.14Å; H199-E214 IonicContact ND1-OE2 3.39Å |
| 200 | E | 89 | Confident | 85.5 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.9 | -31.4 | 179.9 | -70.9 | -55.2 | 146.9 | 0 | 0 | 112.9 | N67 V70 F71 K196 M202 G203 C204 K208 | N67-E200 HydrophobicContact CB-CG 4.46Å; N67-E200 WeakPolarHBondContact CB-OE2 3.41Å; N67-E200 PolarHBondContact N-OE2 3.22Å; V70-E200 HydrophobicContact CB-CB 4.38Å; V70-E200 HydrophobicContact CB-CG 4.09Å; V70-E200 HydrophobicContact CG1-CB 4.3Å; V70-E200 HydrophobicContact CG1-CG 4.24Å; V70-E200 HydrophobicContact CG2-CG 3.82Å; F71-E200 HydrophobicContact CE2-CB 4.04Å; F71-E200 HydrophobicContact CZ-CB 4.3Å; K196-E200 WeakPolarHBondContact O-CB 3.16Å; K196-E200 WeakPolarHBondContact O-CG 3.32Å; K196-E200 PolarHBondContact O-N 2.96Å; E200-M202 VanDerWaalsContact C-N 3.35Å; E200-G203 PolarHBondContact O-N 3.27Å; E200-C204 WeakPolarHBondContact O-CB 3.11Å; E200-C204 PolarHBondContact O-N 3.09Å; E200-C204 PolarHBondContact O-SG 3.22Å; E200-K208 IonicContact OE1-NZ 3.54Å |
| 201 | F | 87.3 | Confident | 85 | Confident | 75 Ų | 75 | 43 Ų | 43 | 33% | 0.329 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 171.4 | 177.9 | -97.2 | 0 | 0 | 0 | 111.1 | F71 Y197 A198 H199 G203 C204 L205 I217 | F71-F201 HydrophobicContact CZ-CB 4.11Å; Y197-F201 WeakPolarHBondContact O-CB 3.39Å; Y197-F201 PolarHBondContact O-N 3.45Å; A198-F201 PolarHBondContact O-N 2.96Å; H199-F201 PolarHBondContact O-N 3.43Å; F201-G203 VanDerWaalsContact C-N 3.33Å; F201-G203 PolarHBondContact O-N 2.94Å; F201-C204 PolarHBondContact O-N 2.89Å; F201-C204 VanDerWaalsContact O-N 3.12Å; F201-L205 HydrophobicContact CD1-CD1 4.06Å; F201-L205 HydrophobicContact CD1-CG 4.43Å; F201-L205 HydrophobicContact CE1-CD1 3.45Å; F201-L205 VanDerWaalsContact CE1-CD1 3.45Å; F201-L205 HydrophobicContact CE1-CG 4.08Å; F201-L205 HydrophobicContact CZ-CD1 3.86Å; F201-L205 HydrophobicContact CZ-CD2 4.38Å; F201-L205 HydrophobicContact CZ-CG 4.22Å; F201-L205 WeakPolarHBondContact O-CG 3.49Å; F201-L205 PolarHBondContact O-N 3.1Å; F201-I217 HydrophobicContact CD1-CD1 3.58Å; F201-I217 HydrophobicContact CE1-CD1 3.73Å |
| 202 | M | 85.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 174.5 | -66.1 | -55 | -65.5 | 0 | 0 | 112 | V117 A198 H199 E200 C204 L205 G206 R207 V213 E214 I217 | V117-M202 HydrophobicContact CG1-CE 3.86Å; V117-M202 HydrophobicContact CG2-CE 3.99Å; A198-M202 WeakPolarHBondContact O-CG 3.36Å; A198-M202 PolarHBondContact O-N 3.21Å; H199-M202 PolarHBondContact O-N 3.12Å; E200-M202 VanDerWaalsContact C-N 3.35Å; M202-C204 VanDerWaalsContact C-N 3.31Å; M202-C204 PolarHBondContact O-N 2.83Å; M202-L205 PolarHBondContact O-N 2.04Å; M202-L205 HydrophobicContact SD-CD1 4.39Å; M202-G206 PolarHBondContact O-N 3.2Å; M202-G206 VanDerWaalsContact O-N 3.14Å; M202-R207 HydrophobicContact CE-CB 3.91Å; M202-R207 WeakPolarHBondContact CE-O 3.32Å; M202-R207 PolarHBondContact O-N 3.22Å; M202-V213 HydrophobicContact CE-CB 3.96Å; M202-V213 HydrophobicContact CE-CG1 3.78Å; M202-V213 HydrophobicContact SD-CB 4.42Å; M202-V213 HydrophobicContact SD-CG1 3.73Å; M202-E214 HydrophobicContact CG-CB 4.03Å; M202-E214 HydrophobicContact CG-CG 4.3Å; M202-I217 HydrophobicContact CG-CD1 4.25Å; M202-I217 HydrophobicContact SD-CD1 3.47Å; M202-I217 WeakPolarHBondContact SD-CD1 3.34Å |
| 203 | G | 86 | Confident | 84.3 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.6 | -43.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H199 E200 F201 L205 G206 K208 | H199-G203 PolarHBondContact O-N 3.46Å; E200-G203 PolarHBondContact O-N 3.27Å; F201-G203 VanDerWaalsContact C-N 3.33Å; F201-G203 PolarHBondContact O-N 2.94Å; G203-L205 VanDerWaalsContact C-N 3.33Å; G203-L205 PolarHBondContact O-N 3.47Å; G203-G206 WeakPolarHBondContact O-CA 3.45Å; G203-G206 PolarHBondContact O-N 3.07Å; G203-K208 VanDerWaalsContact CA-CE 3.41Å |
| 204 | C | 84.5 | Confident | 84 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.5 | -23.3 | 178.3 | -64.7 | 0 | 0 | 0 | 0 | 114.4 | C66 F71 K110 E200 F201 M202 G206 | C66-C204 HydrophobicContact CB-CB 3.91Å; C66-C204 WeakPolarHBondContact CB-SG 3.41Å; C66-C204 VanDerWaalsContact SG-CA 3.55Å; C66-C204 WeakPolarHBondContact SG-CB 3.39Å; C66-C204 CovalentContact SG-SG 2.04Å; C66-C204 PolarHBondContact SG-SG 3.11Å; F71-C204 HydrophobicContact CE2-CB 4.41Å; F71-C204 WeakPolarHBondContact CE2-SG 3.48Å; K110-C204 WeakPolarHBondContact CD-O 3.3Å; K110-C204 WeakPolarHBondContact CE-O 3.38Å; K110-C204 PolarHBondContact NZ-O 3.11Å; E200-C204 WeakPolarHBondContact O-CB 3.11Å; E200-C204 PolarHBondContact O-N 3.09Å; E200-C204 PolarHBondContact O-SG 3.22Å; F201-C204 PolarHBondContact O-N 2.89Å; F201-C204 VanDerWaalsContact O-N 3.12Å; M202-C204 VanDerWaalsContact C-N 3.31Å; M202-C204 PolarHBondContact O-N 2.83Å; C204-G206 VanDerWaalsContact C-N 3.26Å |
| 205 | L | 83.8 | Confident | 84 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.5 | -11.3 | 166.1 | -65.8 | -174.7 | 0 | 0 | 0 | 113 | K110 L113 S114 V117 F201 M202 G203 R207 | K110-L205 HydrophobicContact CG-CD2 4.26Å; L113-L205 HydrophobicContact CB-CD1 4.33Å; L113-L205 HydrophobicContact CB-CD2 3.87Å; S114-L205 WeakPolarHBondContact CB-O 3.32Å; S114-L205 PolarHBondContact OG-O 3.44Å; V117-L205 HydrophobicContact CG2-CD1 4.22Å; F201-L205 HydrophobicContact CD1-CD1 4.06Å; F201-L205 HydrophobicContact CD1-CG 4.43Å; F201-L205 HydrophobicContact CE1-CD1 3.45Å; F201-L205 VanDerWaalsContact CE1-CD1 3.45Å; F201-L205 HydrophobicContact CE1-CG 4.08Å; F201-L205 HydrophobicContact CZ-CD1 3.86Å; F201-L205 HydrophobicContact CZ-CD2 4.38Å; F201-L205 HydrophobicContact CZ-CG 4.22Å; F201-L205 WeakPolarHBondContact O-CG 3.49Å; F201-L205 PolarHBondContact O-N 3.1Å; M202-L205 PolarHBondContact O-N 2.04Å; M202-L205 HydrophobicContact SD-CD1 4.39Å; G203-L205 VanDerWaalsContact C-N 3.33Å; G203-L205 PolarHBondContact O-N 3.47Å; L205-R207 HydrophobicContact CB-CB 4.41Å; L205-R207 HydrophobicContact CB-CG 4.38Å |
| 206 | G | 82.1 | Confident | 83.6 | Confident | 17 Ų | 17 | 32.5 Ų | 32.5 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 17.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M202 G203 C204 | M202-G206 PolarHBondContact O-N 3.2Å; M202-G206 VanDerWaalsContact O-N 3.14Å; G203-G206 WeakPolarHBondContact O-CA 3.45Å; G203-G206 PolarHBondContact O-N 3.07Å; C204-G206 VanDerWaalsContact C-N 3.26Å |
| 207 | R | 80.2 | Confident | 83.3 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 4% | 0.038 | 18% | 0.177 | C | C | . | . | trans | -129.8 | 48.5 | -164 | -62.1 | -56.4 | -52.3 | -82.2 | 4 | 114.2 | S114 V117 L118 M202 L205 D209 | S114-R207 PolarHBondContact O-NH1 3.16Å; V117-R207 HydrophobicContact CB-CB 4.31Å; V117-R207 HydrophobicContact CB-CG 4.18Å; V117-R207 HydrophobicContact CG1-CB 3.96Å; V117-R207 HydrophobicContact CG1-CG 4.27Å; V117-R207 HydrophobicContact CG2-CB 4.46Å; V117-R207 HydrophobicContact CG2-CG 4.49Å; L118-R207 VanDerWaalsContact CD2-NH2 3.28Å; M202-R207 HydrophobicContact CE-CB 3.91Å; M202-R207 WeakPolarHBondContact CE-O 3.32Å; M202-R207 PolarHBondContact O-N 3.22Å; L205-R207 HydrophobicContact CB-CB 4.41Å; L205-R207 HydrophobicContact CB-CG 4.38Å; R207-D209 WeakPolarHBondContact CA-OD1 3.44Å; R207-D209 IonicContact CZ-OD1 3.36Å; R207-D209 IonicContact CZ-OD2 2.92Å; R207-D209 IonicContact NE-OD1 3.33Å; R207-D209 PolarHBondContact NE-OD1 3.18Å; R207-D209 IonicContact NE-OD2 3.53Å; R207-D209 PolarHBondContact NE-OD2 3.29Å; R207-D209 IonicContact NH2-OD1 3.98Å; R207-D209 IonicContact NH2-OD2 2.63Å; R207-D209 PolarHBondContact NH2-OD2 3.05Å; R207-D209 PolarHBondContact O-N 2.82Å | ||
| 208 | K | 75.7 | Confident | 83.2 | Confident | 68 Ų | 68 | 36 Ų | 36 | 30% | 0.296 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -6.8 | 175.4 | -64.3 | -167 | 176.1 | -163.5 | 0 | 113.5 | A64 H199 E200 G203 S210 | A64-K208 HydrophobicContact CB-CG 4.16Å; H199-K208 PolarHBondContact NE2-NZ 3.5Å; E200-K208 IonicContact OE1-NZ 3.54Å; G203-K208 VanDerWaalsContact CA-CE 3.41Å; K208-S210 VanDerWaalsContact C-N 3.29Å; K208-S210 PolarHBondContact O-N 3.34Å |
| 209 | D | 74 | Confident | 83.1 | Confident | 74 Ų | 74 | 41 Ų | 41 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.9 | -179.5 | 60.2 | -53.4 | 0 | 0 | 0 | 114.2 | R207 | R207-D209 WeakPolarHBondContact CA-OD1 3.44Å; R207-D209 IonicContact CZ-OD1 3.36Å; R207-D209 IonicContact CZ-OD2 2.92Å; R207-D209 IonicContact NE-OD1 3.33Å; R207-D209 PolarHBondContact NE-OD1 3.18Å; R207-D209 IonicContact NE-OD2 3.53Å; R207-D209 PolarHBondContact NE-OD2 3.29Å; R207-D209 IonicContact NH2-OD1 3.98Å; R207-D209 IonicContact NH2-OD2 2.63Å; R207-D209 PolarHBondContact NH2-OD2 3.05Å; R207-D209 PolarHBondContact O-N 2.82Å |
| 210 | S | 78.1 | Confident | 82.8 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | trans | -110.4 | 79.3 | -171.5 | 172.9 | 0 | 0 | 0 | 0 | 112.9 | V117 K208 T212 V213 E214 | V117-S210 VanDerWaalsContact CG1-CB 3.46Å; K208-S210 VanDerWaalsContact C-N 3.29Å; K208-S210 PolarHBondContact O-N 3.34Å; S210-T212 PolarHBondContact O-N 2.94Å; S210-V213 PolarHBondContact O-N 3.34Å; S210-V213 VanDerWaalsContact O-N 3.12Å; S210-V213 WeakPolarHBondContact OG-CB 3.46Å; S210-V213 VanDerWaalsContact OG-CG2 3.23Å; S210-V213 WeakPolarHBondContact OG-CG2 3.07Å; S210-V213 PolarHBondContact OG-N 2.99Å; S210-E214 PolarHBondContact O-N 3.4Å | ||
| 211 | A | 80.1 | Confident | 82.6 | Confident | 74 Ų | 74 | 39.9 Ų | 39.9 | 61% | 0.612 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -55.5 | -33 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E214 G215 | A211-E214 PolarHBondContact O-N 3.24Å; A211-G215 PolarHBondContact O-N 3Å |
| 212 | T | 81 | Confident | 82.5 | Confident | 63 Ų | 63 | 38.5 Ų | 38.5 | 39% | 0.387 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | S210 T216 | S210-T212 PolarHBondContact O-N 2.94Å; T212-T216 WeakPolarHBondContact O-CB 3.47Å; T212-T216 PolarHBondContact O-N 3Å; T212-T216 PolarHBondContact O-OG1 2.89Å |
| 213 | V | 81.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.9 | -42 | 177.8 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | V117 K120 M202 S210 G215 T216 I217 | V117-V213 HydrophobicContact CG1-CB 4.35Å; V117-V213 HydrophobicContact CG1-CG2 4.07Å; V117-V213 HydrophobicContact CG2-CG1 4.2Å; K120-V213 HydrophobicContact CB-CG2 3.91Å; K120-V213 HydrophobicContact CD-CG2 3.82Å; K120-V213 HydrophobicContact CG-CG2 4.46Å; M202-V213 HydrophobicContact CE-CB 3.96Å; M202-V213 HydrophobicContact CE-CG1 3.78Å; M202-V213 HydrophobicContact SD-CB 4.42Å; M202-V213 HydrophobicContact SD-CG1 3.73Å; S210-V213 PolarHBondContact O-N 3.34Å; S210-V213 VanDerWaalsContact O-N 3.12Å; S210-V213 WeakPolarHBondContact OG-CB 3.46Å; S210-V213 VanDerWaalsContact OG-CG2 3.23Å; S210-V213 WeakPolarHBondContact OG-CG2 3.07Å; S210-V213 PolarHBondContact OG-N 2.99Å; V213-G215 PolarHBondContact O-N 3.41Å; V213-T216 WeakPolarHBondContact O-CB 3.48Å; V213-T216 PolarHBondContact O-N 3.41Å; V213-T216 VanDerWaalsContact O-N 3.16Å; V213-I217 HydrophobicContact CG1-CD1 3.87Å; V213-I217 HydrophobicContact CG1-CG1 4.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.03Å; V213-I217 PolarHBondContact O-N 3.44Å |
| 214 | E | 84.6 | Confident | 82.2 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.6 | -49 | 175.5 | -174.1 | 176.3 | 177.7 | 0 | 0 | 111.7 | H199 M202 S210 A211 T216 I217 K218 | H199-E214 WeakPolarHBondContact CA-OE1 3.44Å; H199-E214 WeakPolarHBondContact CB-OE1 3.1Å; H199-E214 IonicContact CG-OE1 2.93Å; H199-E214 IonicContact ND1-OE1 3.73Å; H199-E214 PolarHBondContact ND1-OE1 3.14Å; H199-E214 IonicContact ND1-OE2 3.39Å; M202-E214 HydrophobicContact CG-CB 4.03Å; M202-E214 HydrophobicContact CG-CG 4.3Å; S210-E214 PolarHBondContact O-N 3.4Å; A211-E214 PolarHBondContact O-N 3.24Å; E214-T216 VanDerWaalsContact C-N 3.25Å; E214-T216 PolarHBondContact O-N 3.4Å; E214-I217 PolarHBondContact O-N 3.12Å; E214-K218 WeakPolarHBondContact O-CB 3.33Å; E214-K218 PolarHBondContact O-N 3.47Å |
| 215 | G | 85.8 | Confident | 82.3 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A211 V213 R219 | A211-G215 PolarHBondContact O-N 3Å; V213-G215 PolarHBondContact O-N 3.41Å; G215-R219 WeakPolarHBondContact O-CG 3.46Å; G215-R219 PolarHBondContact O-N 2.84Å; G215-R219 VanDerWaalsContact O-N 3.11Å; G215-R219 PolarHBondContact O-NE 3.33Å |
| 216 | T | 81.5 | Confident | 82.4 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 173.7 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | T212 V213 E214 R219 T220 L250 | T212-T216 WeakPolarHBondContact O-CB 3.47Å; T212-T216 PolarHBondContact O-N 3Å; T212-T216 PolarHBondContact O-OG1 2.89Å; V213-T216 WeakPolarHBondContact O-CB 3.48Å; V213-T216 PolarHBondContact O-N 3.41Å; V213-T216 VanDerWaalsContact O-N 3.16Å; E214-T216 VanDerWaalsContact C-N 3.25Å; E214-T216 PolarHBondContact O-N 3.4Å; T216-R219 PolarHBondContact O-N 3.01Å; T216-R219 PolarHBondContact OG1-NH2 3.45Å; T216-T220 WeakPolarHBondContact O-CB 3.44Å; T216-T220 PolarHBondContact O-N 2.7Å; T216-T220 PolarHBondContact O-OG1 2.99Å; T216-L250 HydrophobicContact CG2-CD2 3.22Å |
| 217 | I | 84.5 | Confident | 82.3 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 178.3 | -66.4 | 170 | 0 | 0 | 0 | 110.2 | A198 F201 M202 V213 E214 R219 T220 L221 | A198-I217 HydrophobicContact CB-CB 4.16Å; A198-I217 HydrophobicContact CB-CG2 3.69Å; F201-I217 HydrophobicContact CD1-CD1 3.58Å; F201-I217 HydrophobicContact CE1-CD1 3.73Å; M202-I217 HydrophobicContact CG-CD1 4.25Å; M202-I217 HydrophobicContact SD-CD1 3.47Å; M202-I217 WeakPolarHBondContact SD-CD1 3.34Å; V213-I217 HydrophobicContact CG1-CD1 3.87Å; V213-I217 HydrophobicContact CG1-CG1 4.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.03Å; V213-I217 PolarHBondContact O-N 3.44Å; E214-I217 PolarHBondContact O-N 3.12Å; I217-R219 VanDerWaalsContact C-N 3.27Å; I217-R219 PolarHBondContact O-N 3Å; I217-T220 PolarHBondContact O-N 2.79Å; I217-L221 HydrophobicContact CG2-CD1 3.87Å; I217-L221 HydrophobicContact CG2-CG 3.95Å; I217-L221 WeakPolarHBondContact O-CG 3.15Å; I217-L221 PolarHBondContact O-N 3.19Å |
| 218 | K | 86.6 | Confident | 82.4 | Confident | 115 Ų | 115 | 52.3 Ų | 52.3 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54 | -42.2 | 177.6 | -177 | 179 | 179.1 | 178.5 | 0 | 112.3 | A198 E214 P222 | A198-K218 HydrophobicContact CB-CB 4.07Å; E214-K218 WeakPolarHBondContact O-CB 3.33Å; E214-K218 PolarHBondContact O-N 3.47Å; K218-P222 WeakPolarHBondContact O-CD 3.23Å |
| 219 | R | 84.9 | Confident | 82.6 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -75.6 | -29.4 | 176.6 | -70.1 | -178.7 | -61.2 | -110.3 | 8.5 | 113.3 | G215 T216 I217 R223 | G215-R219 WeakPolarHBondContact O-CG 3.46Å; G215-R219 PolarHBondContact O-N 2.84Å; G215-R219 VanDerWaalsContact O-N 3.11Å; G215-R219 PolarHBondContact O-NE 3.33Å; T216-R219 PolarHBondContact O-N 3.01Å; T216-R219 PolarHBondContact OG1-NH2 3.45Å; I217-R219 VanDerWaalsContact C-N 3.27Å; I217-R219 PolarHBondContact O-N 3Å; R219-R223 WeakPolarHBondContact O-CD 3.41Å; R219-R223 WeakPolarHBondContact O-CG 3.06Å |
| 220 | T | 83.2 | Confident | 82.8 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -80.5 | -37.9 | -175.3 | -63 | 0 | 0 | 0 | 0 | 112.1 | T216 I217 R223 V224 L241 | T216-T220 WeakPolarHBondContact O-CB 3.44Å; T216-T220 PolarHBondContact O-N 2.7Å; T216-T220 PolarHBondContact O-OG1 2.99Å; I217-T220 PolarHBondContact O-N 2.79Å; T220-R223 WeakPolarHBondContact O-CB 3.41Å; T220-R223 PolarHBondContact O-N 3.48Å; T220-R223 VanDerWaalsContact O-N 3.1Å; T220-V224 HydrophobicContact CG2-CG2 3.67Å; T220-V224 WeakPolarHBondContact O-CG2 3.48Å; T220-V224 PolarHBondContact O-N 3.31Å; T220-L241 HydrophobicContact CG2-CD1 3.52Å; T220-L241 HydrophobicContact CG2-CD2 3.71Å; T220-L241 HydrophobicContact CG2-CG 4.24Å |
| 221 | L | 84.1 | Confident | 82.5 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.5 | -53.3 | -176 | -76.2 | 173.2 | 0 | 0 | 0 | 113.1 | I190 P194 A198 I217 R223 V224 C225 | I190-L221 HydrophobicContact CG2-CB 4.13Å; I190-L221 HydrophobicContact CG2-CD1 4.14Å; I190-L221 HydrophobicContact CG2-CD2 4.32Å; I190-L221 HydrophobicContact CG2-CG 4.43Å; P194-L221 HydrophobicContact CB-CB 4.47Å; A198-L221 HydrophobicContact CB-CD1 4.24Å; I217-L221 HydrophobicContact CG2-CD1 3.87Å; I217-L221 HydrophobicContact CG2-CG 3.95Å; I217-L221 WeakPolarHBondContact O-CG 3.15Å; I217-L221 PolarHBondContact O-N 3.19Å; L221-R223 VanDerWaalsContact C-N 3.29Å; L221-R223 PolarHBondContact O-N 3.16Å; L221-V224 PolarHBondContact O-N 2.91Å; L221-C225 WeakPolarHBondContact O-CB 3.33Å; L221-C225 PolarHBondContact O-N 3.2Å |
| 222 | P | 85.4 | Confident | 81.9 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 29% | 0.292 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63 | -34.3 | 177.8 | -22.3 | 34.1 | 0 | 0 | 0 | 113.1 | P194 K218 C225 K226 | P194-P222 HydrophobicContact CB-CG 4.06Å; P194-P222 HydrophobicContact CG-CG 4.18Å; K218-P222 WeakPolarHBondContact O-CD 3.23Å; P222-C225 PolarHBondContact O-N 3.41Å; P222-K226 WeakPolarHBondContact O-CB 3.41Å; P222-K226 PolarHBondContact O-N 3.39Å |
| 223 | R | 83 | Confident | 81.5 | Confident | 105 Ų | 105 | 54.4 Ų | 54.4 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.8 | -43.2 | 179.4 | -65.3 | 177.3 | -176.3 | -175.8 | -0.7 | 111.6 | R219 T220 L221 C225 K227 | R219-R223 WeakPolarHBondContact O-CD 3.41Å; R219-R223 WeakPolarHBondContact O-CG 3.06Å; T220-R223 WeakPolarHBondContact O-CB 3.41Å; T220-R223 PolarHBondContact O-N 3.48Å; T220-R223 VanDerWaalsContact O-N 3.1Å; L221-R223 VanDerWaalsContact C-N 3.29Å; L221-R223 PolarHBondContact O-N 3.16Å; R223-C225 VanDerWaalsContact C-N 3.33Å; R223-K227 WeakPolarHBondContact O-CG 3.21Å; R223-K227 PolarHBondContact O-N 2.9Å; R223-K227 VanDerWaalsContact O-N 3.1Å |
| 224 | V | 82.4 | Confident | 80.9 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 173.6 | 171.1 | 0 | 0 | 0 | 0 | 109.3 | T220 L221 K226 K227 L228 L241 | T220-V224 HydrophobicContact CG2-CG2 3.67Å; T220-V224 WeakPolarHBondContact O-CG2 3.48Å; T220-V224 PolarHBondContact O-N 3.31Å; L221-V224 PolarHBondContact O-N 2.91Å; V224-K226 PolarHBondContact O-N 2.89Å; V224-K227 PolarHBondContact O-N 3.44Å; V224-L228 HydrophobicContact CG1-CD1 3.56Å; V224-L228 HydrophobicContact CG1-CG 4.01Å; V224-L228 WeakPolarHBondContact O-CB 3.33Å; V224-L228 WeakPolarHBondContact O-CG 3.27Å; V224-L228 PolarHBondContact O-N 2.83Å; V224-L241 HydrophobicContact CG2-CD1 3.64Å; V224-L241 HydrophobicContact CG2-CD2 4Å; V224-L241 HydrophobicContact CG2-CG 4.2Å |
| 225 | C | 87.2 | Confident | 80.7 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 178.7 | -85.9 | 0 | 0 | 0 | 0 | 113.8 | C187 E191 L221 P222 R223 K227 L228 R229 | C187-C225 WeakPolarHBondContact CA-SG 3.4Å; C187-C225 HydrophobicContact CB-CB 3.5Å; C187-C225 WeakPolarHBondContact CB-SG 3.33Å; C187-C225 WeakPolarHBondContact SG-CA 3.4Å; C187-C225 WeakPolarHBondContact SG-CB 3.36Å; C187-C225 CovalentContact SG-SG 2.05Å; C187-C225 PolarHBondContact SG-SG 3.39Å; E191-C225 HydrophobicContact CG-CB 4.04Å; E191-C225 WeakPolarHBondContact OE1-CB 3.23Å; L221-C225 WeakPolarHBondContact O-CB 3.33Å; L221-C225 PolarHBondContact O-N 3.2Å; P222-C225 PolarHBondContact O-N 3.41Å; R223-C225 VanDerWaalsContact C-N 3.33Å; C225-K227 PolarHBondContact O-N 2.89Å; C225-L228 PolarHBondContact O-N 2.61Å; C225-R229 WeakPolarHBondContact O-CG 3.32Å; C225-R229 PolarHBondContact O-N 3.48Å; C225-R229 VanDerWaalsContact O-N 3.09Å |
| 226 | K | 85.1 | Confident | 80 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 55% | 0.552 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -55.4 | -50.3 | 172.6 | -176.1 | 177.5 | 176.3 | 179.6 | 0 | 111.9 | P222 V224 L228 R229 E230 | P222-K226 WeakPolarHBondContact O-CB 3.41Å; P222-K226 PolarHBondContact O-N 3.39Å; V224-K226 PolarHBondContact O-N 2.89Å; K226-L228 VanDerWaalsContact C-N 3.33Å; K226-L228 PolarHBondContact O-N 3.16Å; K226-R229 PolarHBondContact O-N 3.39Å; K226-E230 WeakPolarHBondContact CE-OE1 3.25Å; K226-E230 PolarHBondContact O-N 2.98Å |
| 227 | K | 80.4 | Confident | 79.5 | Confident | 77 Ų | 77 | 60 Ų | 60 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 180 | -71 | -170.8 | -178.3 | -166.5 | 0 | 113.5 | R223 V224 C225 R229 E230 S231 S237 S240 | R223-K227 WeakPolarHBondContact O-CG 3.21Å; R223-K227 PolarHBondContact O-N 2.9Å; R223-K227 VanDerWaalsContact O-N 3.1Å; V224-K227 PolarHBondContact O-N 3.44Å; C225-K227 PolarHBondContact O-N 2.89Å; K227-R229 VanDerWaalsContact C-N 3.28Å; K227-R229 PolarHBondContact O-N 2.73Å; K227-E230 PolarHBondContact O-N 2.65Å; K227-S231 PolarHBondContact O-N 3.02Å; K227-S231 VanDerWaalsContact O-O 3.1Å; K227-S231 PolarHBondContact O-OG 3.28Å; K227-S237 WeakPolarHBondContact CB-OG 3.37Å; K227-S240 VanDerWaalsContact CD-OG 3.23Å; K227-S240 WeakPolarHBondContact CD-OG 3.49Å; K227-S240 PolarHBondContact NZ-OG 3.34Å |
| 228 | L | 81.6 | Confident | 78.7 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.9 | -26.4 | 177.2 | -71 | 175.1 | 0 | 0 | 0 | 112.9 | I183 V224 C225 K226 S231 A232 L234 S237 | I183-L228 HydrophobicContact CD1-CD2 4.29Å; I183-L228 HydrophobicContact CG2-CB 3.45Å; I183-L228 VanDerWaalsContact CG2-CB 3.45Å; I183-L228 HydrophobicContact CG2-CD1 4.28Å; I183-L228 HydrophobicContact CG2-CG 4.42Å; V224-L228 HydrophobicContact CG1-CD1 3.56Å; V224-L228 HydrophobicContact CG1-CG 4.01Å; V224-L228 WeakPolarHBondContact O-CB 3.33Å; V224-L228 WeakPolarHBondContact O-CG 3.27Å; V224-L228 PolarHBondContact O-N 2.83Å; C225-L228 PolarHBondContact O-N 2.61Å; K226-L228 VanDerWaalsContact C-N 3.33Å; K226-L228 PolarHBondContact O-N 3.16Å; L228-S231 CarbonylContact C-O 3.44Å; L228-S231 VanDerWaalsContact CA-O 3.25Å; L228-S231 WeakPolarHBondContact CA-O 3.26Å; L228-S231 CarbonylContact O-C 3.2Å; L228-S231 VanDerWaalsContact O-C 3.26Å; L228-S231 VanDerWaalsContact O-O 3.11Å; L228-A232 WeakPolarHBondContact O-CA 3.15Å; L228-A232 PolarHBondContact O-N 3.47Å; L228-L234 HydrophobicContact CD1-CD2 3.82Å; L228-L234 HydrophobicContact CD2-CB 4.32Å; L228-L234 HydrophobicContact CD2-CD2 3.52Å; L228-L234 HydrophobicContact CD2-CG 3.88Å; L228-L234 HydrophobicContact CG-CD2 4.35Å; L228-S237 WeakPolarHBondContact CD2-OG 3.22Å; L228-S237 PolarHBondContact N-OG 3.27Å |
| 229 | R | 79.9 | Confident | 78 | Confident | 80 Ų | 80 | 57.6 Ų | 57.6 | 30% | 0.302 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -75 | -37 | 170.7 | -69.1 | -173.6 | -173.6 | 118.7 | -3.5 | 112.1 | D188 E191 C225 K226 K227 | D188-R229 IonicContact OD1-CZ 3.19Å; D188-R229 IonicContact OD1-NE 2.63Å; D188-R229 IonicContact OD1-NH2 3.16Å; D188-R229 PolarHBondContact OD1-NH2 3.23Å; E191-R229 IonicContact OE1-CZ 2.63Å; E191-R229 IonicContact OE1-NH1 3.49Å; E191-R229 PolarHBondContact OE1-NH1 3.46Å; E191-R229 IonicContact OE1-NH2 3.56Å; E191-R229 IonicContact OE2-CZ 2.78Å; E191-R229 IonicContact OE2-NH1 3.74Å; E191-R229 PolarHBondContact OE2-NH1 3.01Å; E191-R229 IonicContact OE2-NH2 2.63Å; E191-R229 PolarHBondContact OE2-NH2 2.8Å; C225-R229 WeakPolarHBondContact O-CG 3.32Å; C225-R229 PolarHBondContact O-N 3.48Å; C225-R229 VanDerWaalsContact O-N 3.09Å; K226-R229 PolarHBondContact O-N 3.39Å; K227-R229 VanDerWaalsContact C-N 3.28Å; K227-R229 PolarHBondContact O-N 2.73Å |
| 230 | E | 77.8 | Confident | 77 | Confident | 136 Ų | 136 | 53.7 Ų | 53.7 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -72.1 | -39.8 | 177.2 | -69 | 168 | -174.7 | 0 | 0 | 111.8 | K226 K227 | K226-E230 WeakPolarHBondContact CE-OE1 3.25Å; K226-E230 PolarHBondContact O-N 2.98Å; K227-E230 PolarHBondContact O-N 2.65Å |
| 231 | S | 71.7 | Confident | 76 | Confident | 47 Ų | 47 | 54 Ų | 54 | 33% | 0.329 | 27% | 0.268 | S | S | . | . | trans | -136.7 | 114.5 | 172.9 | 65.4 | 0 | 0 | 0 | 0 | 108.4 | K227 L228 D233 | K227-S231 PolarHBondContact O-N 3.02Å; K227-S231 VanDerWaalsContact O-O 3.1Å; K227-S231 PolarHBondContact O-OG 3.28Å; L228-S231 CarbonylContact C-O 3.44Å; L228-S231 VanDerWaalsContact CA-O 3.25Å; L228-S231 WeakPolarHBondContact CA-O 3.26Å; L228-S231 CarbonylContact O-C 3.2Å; L228-S231 VanDerWaalsContact O-C 3.26Å; L228-S231 VanDerWaalsContact O-O 3.11Å; S231-D233 PolarHBondContact O-N 3.46Å | ||
| 232 | A | 67.2 | Low | 74.9 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 21% | 0.207 | 27% | 0.269 | C | S | . | . | trans | -63.3 | 7.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H180 I183 L228 L234 | H180-A232 HydrophobicContact CB-CB 4.06Å; I183-A232 HydrophobicContact CD1-CB 4.26Å; L228-A232 WeakPolarHBondContact O-CA 3.15Å; L228-A232 PolarHBondContact O-N 3.47Å; A232-L234 PolarHBondContact O-N 3.45Å | ||
| 233 | D | 74 | Confident | 73.2 | Confident | 43 Ų | 43 | 56 Ų | 56 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | trans | -82.3 | 100.8 | 173.1 | -163.4 | -8.5 | 0 | 0 | 0 | 111.9 | K160 S231 C235 Q236 S237 | K160-D233 IonicContact NZ-OD1 2.7Å; K160-D233 PolarHBondContact NZ-OD1 2.89Å; K160-D233 IonicContact NZ-OD2 3.42Å; K160-D233 PolarHBondContact NZ-OD2 3.47Å; K160-D233 VanDerWaalsContact NZ-OD2 3.11Å; S231-D233 PolarHBondContact O-N 3.46Å; D233-C235 PolarHBondContact O-N 3.44Å; D233-C235 VanDerWaalsContact O-N 3.14Å; D233-C235 WeakPolarHBondContact OD1-CA 3.16Å; D233-C235 WeakPolarHBondContact OD1-CB 3.42Å; D233-C235 PolarHBondContact OD1-N 3.19Å; D233-Q236 HydrophobicContact CB-CB 4.38Å; D233-Q236 HydrophobicContact CB-CG 4.35Å; D233-Q236 PolarHBondContact O-N 3.36Å; D233-S237 PolarHBondContact O-N 2.98Å; D233-S237 VanDerWaalsContact O-N 3.12Å; D233-S237 PolarHBondContact O-OG 2.95Å | ||
| 234 | L | 68.9 | Low | 71.4 | Confident | 94 Ų | 94 | 52.1 Ų | 52.1 | 49% | 0.492 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -49.7 | -33.8 | 168.1 | -73.9 | 161.8 | 0 | 0 | 0 | 113.1 | L228 A232 V238 | L228-L234 HydrophobicContact CD1-CD2 3.82Å; L228-L234 HydrophobicContact CD2-CB 4.32Å; L228-L234 HydrophobicContact CD2-CD2 3.52Å; L228-L234 HydrophobicContact CD2-CG 3.88Å; L228-L234 HydrophobicContact CG-CD2 4.35Å; A232-L234 PolarHBondContact O-N 3.45Å; L234-V238 VanDerWaalsContact O-CB 3.31Å; L234-V238 WeakPolarHBondContact O-CB 3.28Å; L234-V238 WeakPolarHBondContact O-CG2 3.06Å; L234-V238 PolarHBondContact O-N 3.24Å |
| 235 | C | 80.2 | Confident | 69.1 | Low | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.2 | -50.7 | -178.5 | -70.5 | 0 | 0 | 0 | 0 | 112.8 | C157 D233 S237 K239 | C157-C235 WeakPolarHBondContact CA-SG 3.3Å; C157-C235 HydrophobicContact CB-CB 3.67Å; C157-C235 WeakPolarHBondContact CB-SG 3.49Å; C157-C235 WeakPolarHBondContact SG-CA 3.47Å; C157-C235 WeakPolarHBondContact SG-CB 3.11Å; C157-C235 CovalentContact SG-SG 2.02Å; C157-C235 PolarHBondContact SG-SG 2.02Å; D233-C235 PolarHBondContact O-N 3.44Å; D233-C235 VanDerWaalsContact O-N 3.14Å; D233-C235 WeakPolarHBondContact OD1-CA 3.16Å; D233-C235 WeakPolarHBondContact OD1-CB 3.42Å; D233-C235 PolarHBondContact OD1-N 3.19Å; C235-S237 VanDerWaalsContact C-N 3.3Å; C235-S237 PolarHBondContact O-N 2.92Å; C235-K239 WeakPolarHBondContact O-CB 3Å; C235-K239 WeakPolarHBondContact O-CG 3.49Å; C235-K239 PolarHBondContact O-N 3.5Å |
| 236 | Q | 71.3 | Confident | 66.7 | Low | 114 Ų | 114 | 61.8 Ų | 61.8 | 53% | 0.533 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 177.8 | -68.5 | -61.3 | -22.5 | 0 | 0 | 110.7 | D233 S240 | D233-Q236 HydrophobicContact CB-CB 4.38Å; D233-Q236 HydrophobicContact CB-CG 4.35Å; D233-Q236 PolarHBondContact O-N 3.36Å; Q236-S240 VanDerWaalsContact O-CB 3.25Å; Q236-S240 WeakPolarHBondContact O-CB 3.11Å; Q236-S240 PolarHBondContact O-N 3.36Å; Q236-S240 PolarHBondContact O-OG 2.87Å |
| 237 | S | 69.2 | Low | 64.5 | Low | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 179.2 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | K227 L228 D233 C235 S240 | K227-S237 WeakPolarHBondContact CB-OG 3.37Å; L228-S237 WeakPolarHBondContact CD2-OG 3.22Å; L228-S237 PolarHBondContact N-OG 3.27Å; D233-S237 PolarHBondContact O-N 2.98Å; D233-S237 VanDerWaalsContact O-N 3.12Å; D233-S237 PolarHBondContact O-OG 2.95Å; C235-S237 VanDerWaalsContact C-N 3.3Å; C235-S237 PolarHBondContact O-N 2.92Å; S237-S240 PolarHBondContact O-OG 3.2Å |
| 238 | V | 69.3 | Low | 62.3 | Low | 41 Ų | 41 | 56.1 Ų | 56.1 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.2 | -44.6 | 179.3 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | V153 L234 S240 L241 F242 | V153-V238 HydrophobicContact CB-CG1 4.49Å; V153-V238 HydrophobicContact CG1-CB 4.31Å; V153-V238 HydrophobicContact CG1-CG1 3.8Å; V153-V238 HydrophobicContact CG2-CG1 3.83Å; L234-V238 VanDerWaalsContact O-CB 3.31Å; L234-V238 WeakPolarHBondContact O-CB 3.28Å; L234-V238 WeakPolarHBondContact O-CG2 3.06Å; L234-V238 PolarHBondContact O-N 3.24Å; V238-S240 PolarHBondContact O-N 2.82Å; V238-L241 VanDerWaalsContact O-CB 3.24Å; V238-L241 WeakPolarHBondContact O-CB 3.28Å; V238-L241 WeakPolarHBondContact O-CG 3.43Å; V238-L241 PolarHBondContact O-N 3.09Å; V238-F242 HydrophobicContact CG1-CD2 4.4Å; V238-F242 HydrophobicContact CG1-CE2 3.78Å; V238-F242 VanDerWaalsContact O-CD2 3.27Å; V238-F242 WeakPolarHBondContact O-CD2 3.3Å |
| 239 | K | 70.5 | Confident | 59.8 | Low | 54 Ų | 54 | 60.4 Ų | 60.4 | 24% | 0.235 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58 | -38.6 | 178.1 | -74.6 | -179.9 | -167 | -146.9 | 0 | 112.2 | V153 D154 C235 L241 F242 S243 | V153-K239 HydrophobicContact CG1-CG 3.94Å; D154-K239 WeakPolarHBondContact OD1-CD 2.96Å; D154-K239 WeakPolarHBondContact OD1-CE 3.38Å; D154-K239 IonicContact OD1-NZ 3.6Å; D154-K239 PolarHBondContact OD1-NZ 3.22Å; C235-K239 WeakPolarHBondContact O-CB 3Å; C235-K239 WeakPolarHBondContact O-CG 3.49Å; C235-K239 PolarHBondContact O-N 3.5Å; K239-L241 PolarHBondContact O-N 3.01Å; K239-L241 VanDerWaalsContact O-N 3.1Å; K239-F242 WeakPolarHBondContact O-CA 3.44Å; K239-F242 PolarHBondContact O-N 3.16Å; K239-S243 PolarHBondContact O-N 3.26Å; K239-S243 VanDerWaalsContact O-N 3.09Å; K239-S243 PolarHBondContact O-OG 2.81Å |
| 240 | S | 64.7 | Low | 57.5 | Low | 25 Ų | 25 | 58.3 Ų | 58.3 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -18.4 | 179.6 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | K227 Q236 S237 V238 F242 | K227-S240 VanDerWaalsContact CD-OG 3.23Å; K227-S240 WeakPolarHBondContact CD-OG 3.49Å; K227-S240 PolarHBondContact NZ-OG 3.34Å; Q236-S240 VanDerWaalsContact O-CB 3.25Å; Q236-S240 WeakPolarHBondContact O-CB 3.11Å; Q236-S240 PolarHBondContact O-N 3.36Å; Q236-S240 PolarHBondContact O-OG 2.87Å; S237-S240 PolarHBondContact O-OG 3.2Å; V238-S240 PolarHBondContact O-N 2.82Å; S240-F242 VanDerWaalsContact C-N 3.32Å |
| 241 | L | 61.5 | Low | 55.5 | Low | 29 Ų | 29 | 56.9 Ų | 56.9 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.4 | -30.6 | 170.7 | -56.6 | 175.4 | 0 | 0 | 0 | 111.6 | T220 V224 V238 K239 L250 | T220-L241 HydrophobicContact CG2-CD1 3.52Å; T220-L241 HydrophobicContact CG2-CD2 3.71Å; T220-L241 HydrophobicContact CG2-CG 4.24Å; V224-L241 HydrophobicContact CG2-CD1 3.64Å; V224-L241 HydrophobicContact CG2-CD2 4Å; V224-L241 HydrophobicContact CG2-CG 4.2Å; V238-L241 VanDerWaalsContact O-CB 3.24Å; V238-L241 WeakPolarHBondContact O-CB 3.28Å; V238-L241 WeakPolarHBondContact O-CG 3.43Å; V238-L241 PolarHBondContact O-N 3.09Å; K239-L241 PolarHBondContact O-N 3.01Å; K239-L241 VanDerWaalsContact O-N 3.1Å; L241-L250 HydrophobicContact CB-CD1 4.27Å; L241-L250 VanDerWaalsContact O-CD1 3.24Å; L241-L250 WeakPolarHBondContact O-CD1 3.23Å |
| 242 | F | 60.8 | Low | 53.6 | Low | 55 Ų | 55 | 59.1 Ų | 59.1 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -98.8 | -12.3 | -175.8 | -59.4 | -76.5 | 0 | 0 | 0 | 114.4 | M149 K150 V153 V238 K239 S240 A247 | M149-F242 HydrophobicContact CB-CE1 4.35Å; M149-F242 HydrophobicContact CG-CE1 3.86Å; M149-F242 HydrophobicContact CG-CE2 4.41Å; M149-F242 HydrophobicContact CG-CZ 3.58Å; K150-F242 HydrophobicContact CB-CB 4.21Å; K150-F242 HydrophobicContact CB-CG 4.39Å; K150-F242 HydrophobicContact CD-CB 4.19Å; K150-F242 HydrophobicContact CG-CB 4.14Å; V153-F242 HydrophobicContact CG2-CE2 4.17Å; V238-F242 HydrophobicContact CG1-CD2 4.4Å; V238-F242 HydrophobicContact CG1-CE2 3.78Å; V238-F242 VanDerWaalsContact O-CD2 3.27Å; V238-F242 WeakPolarHBondContact O-CD2 3.3Å; K239-F242 WeakPolarHBondContact O-CA 3.44Å; K239-F242 PolarHBondContact O-N 3.16Å; S240-F242 VanDerWaalsContact C-N 3.32Å; F242-A247 WeakPolarHBondContact O-CB 3.17Å |
| 243 | S | 50.7 | Low | 52.9 | Low | 73 Ų | 73 | 60.9 Ų | 60.9 | 51% | 0.51 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -125.7 | 0.4 | -170.8 | 67.8 | 0 | 0 | 0 | 0 | 116.7 | K239 | K239-S243 PolarHBondContact O-N 3.26Å; K239-S243 VanDerWaalsContact O-N 3.09Å; K239-S243 PolarHBondContact O-OG 2.81Å |
| 244 | G | 45.9 | Very low | 51.8 | Low | 25 Ų | 25 | 61.8 Ų | 61.8 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -94.5 | 178.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | M246 A247 | G244-M246 PolarHBondContact O-N 3.02Å; G244-A247 VanDerWaalsContact O-CB 3.27Å; G244-A247 WeakPolarHBondContact O-CB 3.25Å; G244-A247 PolarHBondContact O-N 3.21Å |
| 245 | P | 32.7 | Very low | 50.9 | Low | 129 Ų | 129 | 60 Ų | 60 | 84% | 0.838 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -12.2 | 166.1 | -22.1 | 31.4 | 0 | 0 | 0 | 114.1 | S248 | P245-S248 PolarHBondContact O-OG 3.29Š|
| 246 | M | 37.5 | Very low | 49.1 | Very low | 102 Ų | 102 | 63 Ų | 63 | 50% | 0.502 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -10.7 | 177.3 | -69.4 | -76 | -167.8 | 0 | 0 | 113.9 | G244 S248 F249 L250 | G244-M246 PolarHBondContact O-N 3.02Å; M246-S248 PolarHBondContact O-N 3.19Å; M246-F249 WeakPolarHBondContact O-CB 3.42Å; M246-F249 PolarHBondContact O-N 3.43Å; M246-L250 PolarHBondContact O-N 3.43Å |
| 247 | A | 39.6 | Very low | 47.8 | Very low | 10 Ų | 10 | 59.8 Ų | 59.8 | 8% | 0.083 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F242 G244 F249 L250 Q251 | F242-A247 WeakPolarHBondContact O-CB 3.17Å; G244-A247 VanDerWaalsContact O-CB 3.27Å; G244-A247 WeakPolarHBondContact O-CB 3.25Å; G244-A247 PolarHBondContact O-N 3.21Å; A247-F249 PolarHBondContact O-N 2.84Å; A247-L250 PolarHBondContact O-N 2.99Å; A247-Q251 VanDerWaalsContact O-CG 3.29Å; A247-Q251 WeakPolarHBondContact O-CG 3.44Å; A247-Q251 PolarHBondContact O-N 3.13Å |
| 248 | S | 32.9 | Very low | 46.3 | Very low | 76 Ų | 76 | 63.7 Ų | 63.7 | 53% | 0.531 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.6 | -30.5 | 168.7 | 1.9 | 0 | 0 | 0 | 0 | 113.2 | P245 M246 G252 | P245-S248 PolarHBondContact O-OG 3.29Å; M246-S248 PolarHBondContact O-N 3.19Å; S248-G252 PolarHBondContact O-N 3.03Å |
| 249 | F | 30.5 | Very low | 44.7 | Very low | 101 Ų | 101 | 65.4 Ų | 65.4 | 44% | 0.443 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -84.3 | -18.2 | 178.1 | -171.4 | -91.7 | 0 | 0 | 0 | 113.1 | M246 A247 | M246-F249 WeakPolarHBondContact O-CB 3.42Å; M246-F249 PolarHBondContact O-N 3.43Å; A247-F249 PolarHBondContact O-N 2.84Å |
| 250 | L | 29.8 | Very low | 42.7 | Very low | 36 Ų | 36 | 66.2 Ų | 66.2 | 19% | 0.188 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -89.5 | -13.7 | 169.1 | -65.3 | -178 | 0 | 0 | 0 | 112.8 | K120 T216 L241 M246 A247 | K120-L250 PolarHBondContact NZ-O 2.9Å; T216-L250 HydrophobicContact CG2-CD2 3.22Å; L241-L250 HydrophobicContact CB-CD1 4.27Å; L241-L250 VanDerWaalsContact O-CD1 3.24Å; L241-L250 WeakPolarHBondContact O-CD1 3.23Å; M246-L250 PolarHBondContact O-N 3.43Å; A247-L250 PolarHBondContact O-N 2.99Å |
| 251 | Q | 36.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 69.7 Ų | 69.7 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | trans | -96.8 | -3.6 | 176.2 | -69.6 | 174.8 | 8.1 | 0 | 0 | 112.9 | A247 | A247-Q251 VanDerWaalsContact O-CG 3.29Å; A247-Q251 WeakPolarHBondContact O-CG 3.44Å; A247-Q251 PolarHBondContact O-N 3.13Å | ||
| 252 | G | 32.2 | Very low | 39 | Very low | 95 Ų | 95 | 73.4 Ų | 73.4 | 98% | 0.979 | 46% | 0.46 | S | S | * | . | trans | -106.1 | 0 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | S248 | S248-G252 PolarHBondContact O-N 3.03Š|
Retrieved 252 of 252 residues in 105.1 ms
(Link to these results)