| 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 | 45.7 | Very low | 77.7 | Confident | 186 Ų | 186 | 84.7 Ų | 84.7 | 92% | 0.916 | 40% | 0.403 | S | S | * | . | 0 | 114.4 | 0 | -170.7 | 178.9 | 147.9 | 0 | 0 | 107.9 | |||||
| 2 | M | 59.4 | Low | 78.6 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | trans | -59.4 | 137.6 | 178.6 | -67.1 | 177.6 | 177.8 | 0 | 0 | 109.3 | L123 K190 P193 | M2-L123 HydrophobicContact CB-CD2 4.19Å; M2-L123 HydrophobicContact CB-CG 4.43Å; M2-L123 WeakPolarHBondContact O-CD2 3.35Å; M2-K190 WeakPolarHBondContact CE-O 3.32Å; M2-P193 HydrophobicContact CE-CB 4.2Å | ||
| 3 | K | 68 | Low | 79.7 | Confident | 112 Ų | 112 | 76.2 Ų | 76.2 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | trans | -129.4 | 132.8 | 174.9 | -69.1 | -175.9 | -179.8 | -179.2 | 0 | 109.7 | ||||
| 4 | F | 75.4 | Confident | 80.5 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | trans | -109.8 | 112.7 | 169.9 | -168.4 | -79.5 | 0 | 0 | 0 | 107.1 | D8 F9 G100 A103 A104 L123 A126 V127 M130 | F4-D8 HydrophobicContact CD1-CB 4.43Å; F4-D8 HydrophobicContact CD2-CB 4.45Å; F4-D8 HydrophobicContact CE1-CB 4.17Å; F4-D8 HydrophobicContact CE2-CB 4.19Å; F4-D8 HydrophobicContact CZ-CB 4.04Å; F4-F9 HydrophobicContact CE1-CB 4.06Å; F4-G100 VanDerWaalsContact CE1-CA 3.46Å; F4-G100 WeakPolarHBondContact CE1-O 2.81Å; F4-A103 HydrophobicContact CB-CB 4.01Å; F4-A103 HydrophobicContact CD1-CB 4.02Å; F4-A103 HydrophobicContact CG-CB 4.1Å; F4-A104 HydrophobicContact CD1-CB 4.1Å; F4-A104 HydrophobicContact CE1-CB 4.28Å; F4-L123 HydrophobicContact CB-CD1 3.43Å; F4-L123 VanDerWaalsContact CB-CD1 3.43Å; F4-A126 HydrophobicContact CD2-CB 4Å; F4-A126 HydrophobicContact CE2-CB 4.2Å; F4-A126 HydrophobicContact CG-CB 4.44Å; F4-V127 HydrophobicContact CD2-CG2 4.26Å; F4-M130 HydrophobicContact CE2-SD 4.13Å; F4-M130 HydrophobicContact CZ-SD 4.42Å | ||
| 5 | T | 83.5 | Confident | 81.1 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | trans | -97.3 | 161.3 | -170.5 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | Q7 D8 F9 | T5-Q7 PolarHBondContact O-N 2.99Å; T5-Q7 PolarHBondContact OG1-N 3.35Å; T5-D8 WeakPolarHBondContact CB-OD2 3.4Å; T5-D8 PolarHBondContact N-OD2 3.03Å; T5-D8 WeakPolarHBondContact O-CB 3.34Å; T5-D8 PolarHBondContact O-N 3.01Å; T5-D8 PolarHBondContact OG1-N 3.41Å; T5-D8 VanDerWaalsContact OG1-N 3.17Å; T5-D8 PolarHBondContact OG1-OD2 3.2Å; T5-F9 PolarHBondContact O-N 3.22Å | ||
| 6 | K | 86.5 | Confident | 81.8 | Confident | 118 Ų | 118 | 66.7 Ų | 66.7 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.7 | -31.2 | 169.6 | -65.3 | -179.7 | -179.1 | 178.6 | 0 | 112.2 | F9 I10 A104 F105 | K6-F9 WeakPolarHBondContact O-CB 3.42Å; K6-F9 PolarHBondContact O-N 3.23Å; K6-I10 WeakPolarHBondContact O-CG1 3.28Å; K6-I10 PolarHBondContact O-N 3.48Å; K6-A104 HydrophobicContact CG-CB 4.36Å; K6-F105 HydrophobicContact CD-CD1 4.47Å; K6-F105 HydrophobicContact CD-CE1 3.93Å; K6-F105 HydrophobicContact CD-CZ 4.5Å; K6-F105 HydrophobicContact CG-CE1 4.08Å; K6-F105 HydrophobicContact CG-CZ 4.25Å |
| 7 | Q | 85.3 | Confident | 82.5 | Confident | 115 Ų | 115 | 68.6 Ų | 68.6 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 175.5 | -170.8 | -178.6 | 5.3 | 0 | 0 | 111.7 | T5 F9 I10 F11 | T5-Q7 PolarHBondContact O-N 2.99Å; T5-Q7 PolarHBondContact OG1-N 3.35Å; Q7-F9 VanDerWaalsContact C-N 3.29Å; Q7-F9 PolarHBondContact O-N 3.14Å; Q7-I10 PolarHBondContact O-N 2.73Å; Q7-F11 HydrophobicContact CG-CD2 3.84Å; Q7-F11 HydrophobicContact CG-CE2 3.45Å; Q7-F11 VanDerWaalsContact CG-CE2 3.45Å; Q7-F11 HydrophobicContact CG-CZ 4.3Å; Q7-F11 VanDerWaalsContact NE2-CE2 3.34Å; Q7-F11 WeakPolarHBondContact O-CD2 3.43Å; Q7-F11 PolarHBondContact O-N 2.89Å |
| 8 | D | 85.3 | Confident | 83 | Confident | 18 Ų | 18 | 70.9 Ų | 70.9 | 10% | 0.096 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.1 | -39 | 175.1 | -60.5 | -56.2 | 0 | 0 | 0 | 111.4 | F4 T5 F11 L12 K190 | F4-D8 HydrophobicContact CD1-CB 4.43Å; F4-D8 HydrophobicContact CD2-CB 4.45Å; F4-D8 HydrophobicContact CE1-CB 4.17Å; F4-D8 HydrophobicContact CE2-CB 4.19Å; F4-D8 HydrophobicContact CZ-CB 4.04Å; T5-D8 WeakPolarHBondContact CB-OD2 3.4Å; T5-D8 PolarHBondContact N-OD2 3.03Å; T5-D8 WeakPolarHBondContact O-CB 3.34Å; T5-D8 PolarHBondContact O-N 3.01Å; T5-D8 PolarHBondContact OG1-N 3.41Å; T5-D8 VanDerWaalsContact OG1-N 3.17Å; T5-D8 PolarHBondContact OG1-OD2 3.2Å; D8-F11 PolarHBondContact O-N 3.44Å; D8-L12 WeakPolarHBondContact O-CB 3.27Å; D8-L12 PolarHBondContact O-N 2.93Å; D8-K190 IonicContact OD1-NZ 2.73Å; D8-K190 PolarHBondContact OD1-NZ 3.35Å; D8-K190 IonicContact OD2-NZ 2.76Å; D8-K190 PolarHBondContact OD2-NZ 3.16Å |
| 9 | F | 88.1 | Confident | 83.4 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 174.2 | -175.2 | -103.8 | 0 | 0 | 0 | 112.4 | F4 T5 K6 Q7 F11 L12 V13 L97 C101 A104 F105 | F4-F9 HydrophobicContact CE1-CB 4.06Å; T5-F9 PolarHBondContact O-N 3.22Å; K6-F9 WeakPolarHBondContact O-CB 3.42Å; K6-F9 PolarHBondContact O-N 3.23Å; Q7-F9 VanDerWaalsContact C-N 3.29Å; Q7-F9 PolarHBondContact O-N 3.14Å; F9-F11 VanDerWaalsContact C-N 3.33Å; F9-F11 PolarHBondContact O-N 2.87Å; F9-L12 WeakPolarHBondContact O-CB 3.3Å; F9-L12 PolarHBondContact O-N 3.47Å; F9-V13 HydrophobicContact CD1-CG2 4.33Å; F9-V13 HydrophobicContact CE1-CG2 3.92Å; F9-V13 HydrophobicContact CZ-CG2 4.04Å; F9-V13 WeakPolarHBondContact O-CG2 3.44Å; F9-V13 PolarHBondContact O-N 3.27Å; F9-L97 HydrophobicContact CD2-CD2 4.44Å; F9-L97 HydrophobicContact CE2-CB 4.45Å; F9-L97 HydrophobicContact CE2-CD2 3.74Å; F9-L97 WeakPolarHBondContact CE2-O 3.38Å; F9-L97 HydrophobicContact CZ-CD2 4.09Å; F9-C101 HydrophobicContact CD2-CB 4.39Å; F9-C101 HydrophobicContact CE2-CB 3.72Å; F9-C101 HydrophobicContact CZ-CB 4.07Å; F9-A104 HydrophobicContact CB-CB 4.24Å; F9-F105 AromaticContact CD1-CE2 3.81Å; F9-F105 HydrophobicContact CD1-CE2 3.81Å; F9-F105 HydrophobicContact CD1-CZ 4.37Å; F9-F105 HydrophobicContact CE1-CE2 4.08Å; F9-F105 HydrophobicContact CG-CE2 4.25Å |
| 10 | I | 89.3 | Confident | 83.8 | Confident | 117 Ų | 117 | 69 Ų | 69 | 60% | 0.6 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 176.9 | -68.3 | 165.1 | 0 | 0 | 0 | 110.7 | K6 Q7 L12 V13 G14 | K6-I10 WeakPolarHBondContact O-CG1 3.28Å; K6-I10 PolarHBondContact O-N 3.48Å; Q7-I10 PolarHBondContact O-N 2.73Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 2.95Å; I10-V13 PolarHBondContact O-N 2.94Å; I10-G14 PolarHBondContact O-N 2.93Å |
| 11 | F | 88.1 | Confident | 84.3 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 176 | -75.6 | -54.1 | 0 | 0 | 0 | 112.6 | Q7 D8 F9 G14 G15 | Q7-F11 HydrophobicContact CG-CD2 3.84Å; Q7-F11 HydrophobicContact CG-CE2 3.45Å; Q7-F11 VanDerWaalsContact CG-CE2 3.45Å; Q7-F11 HydrophobicContact CG-CZ 4.3Å; Q7-F11 VanDerWaalsContact NE2-CE2 3.34Å; Q7-F11 WeakPolarHBondContact O-CD2 3.43Å; Q7-F11 PolarHBondContact O-N 2.89Å; D8-F11 PolarHBondContact O-N 3.44Å; F9-F11 VanDerWaalsContact C-N 3.33Å; F9-F11 PolarHBondContact O-N 2.87Å; F11-G14 PolarHBondContact O-N 3.34Å; F11-G15 PolarHBondContact O-N 3.02Å |
| 12 | L | 89.4 | Confident | 86.5 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 174.9 | 179.5 | 64.2 | 0 | 0 | 0 | 111.9 | D8 F9 I10 G15 L16 Y93 A96 L97 M130 | D8-L12 WeakPolarHBondContact O-CB 3.27Å; D8-L12 PolarHBondContact O-N 2.93Å; F9-L12 WeakPolarHBondContact O-CB 3.3Å; F9-L12 PolarHBondContact O-N 3.47Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 2.95Å; L12-G15 PolarHBondContact O-N 3.41Å; L12-L16 PolarHBondContact O-N 3.16Å; L12-L16 VanDerWaalsContact O-N 3.08Å; L12-Y93 HydrophobicContact CD1-CD1 4.04Å; L12-Y93 HydrophobicContact CD1-CE1 4.03Å; L12-A96 HydrophobicContact CD1-CB 3.96Å; L12-A96 VanDerWaalsContact CD2-C 3.46Å; L12-A96 HydrophobicContact CD2-CB 3.67Å; L12-A96 WeakPolarHBondContact CD2-O 3.38Å; L12-A96 HydrophobicContact CG-CB 4.39Å; L12-L97 HydrophobicContact CD2-CD2 3.86Å; L12-L97 HydrophobicContact CD2-CG 4.21Å; L12-L97 HydrophobicContact CG-CD2 3.93Å; L12-L97 HydrophobicContact CG-CG 4.43Å; L12-M130 HydrophobicContact CB-CE 4.26Å; L12-M130 HydrophobicContact CB-SD 4.08Å; L12-M130 HydrophobicContact CD1-SD 3.99Å; L12-M130 HydrophobicContact CD2-SD 4.35Å; L12-M130 HydrophobicContact CG-SD 4.37Å |
| 13 | V | 92.1 | Very high | 88 | Confident | 52 Ų | 52 | 62 Ų | 62 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 175 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | F9 I10 G15 L16 I17 L97 | F9-V13 HydrophobicContact CD1-CG2 4.33Å; F9-V13 HydrophobicContact CE1-CG2 3.92Å; F9-V13 HydrophobicContact CZ-CG2 4.04Å; F9-V13 WeakPolarHBondContact O-CG2 3.44Å; F9-V13 PolarHBondContact O-N 3.27Å; I10-V13 PolarHBondContact O-N 2.94Å; V13-G15 VanDerWaalsContact C-N 3.29Å; V13-G15 PolarHBondContact O-N 3.11Å; V13-L16 WeakPolarHBondContact O-CB 3.35Å; V13-L16 PolarHBondContact O-N 3.17Å; V13-L16 VanDerWaalsContact O-N 3.17Å; V13-I17 HydrophobicContact CG1-CD1 4.1Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 2.68Å; V13-L97 HydrophobicContact CG2-CD2 3.48Å; V13-L97 VanDerWaalsContact CG2-CD2 3.48Å |
| 14 | G | 91 | Very high | 89.3 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I10 F11 L16 I17 I18 | I10-G14 PolarHBondContact O-N 2.93Å; F11-G14 PolarHBondContact O-N 3.34Å; G14-L16 VanDerWaalsContact C-N 3.35Å; G14-L16 PolarHBondContact O-N 3.48Å; G14-I17 PolarHBondContact O-N 3.2Å; G14-I18 VanDerWaalsContact O-CG1 3.29Å; G14-I18 WeakPolarHBondContact O-CG1 3.26Å; G14-I18 PolarHBondContact O-N 2.66Å |
| 15 | G | 89.3 | Confident | 90.1 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 11% | 0.113 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F11 L12 V13 H19 | F11-G15 PolarHBondContact O-N 3.02Å; L12-G15 PolarHBondContact O-N 3.41Å; V13-G15 VanDerWaalsContact C-N 3.29Å; V13-G15 PolarHBondContact O-N 3.11Å; G15-H19 WeakPolarHBondContact O-CB 3.47Å; G15-H19 PolarHBondContact O-N 3.19Å |
| 16 | L | 92.2 | Very high | 90.5 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 20% | 0.199 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -44.8 | 174 | 175.5 | 60.4 | 0 | 0 | 0 | 111.7 | L12 V13 G14 H19 V20 F90 Y93 L97 | L12-L16 PolarHBondContact O-N 3.16Å; L12-L16 VanDerWaalsContact O-N 3.08Å; V13-L16 WeakPolarHBondContact O-CB 3.35Å; V13-L16 PolarHBondContact O-N 3.17Å; V13-L16 VanDerWaalsContact O-N 3.17Å; G14-L16 VanDerWaalsContact C-N 3.35Å; G14-L16 PolarHBondContact O-N 3.48Å; L16-H19 WeakPolarHBondContact O-CB 3.46Å; L16-H19 PolarHBondContact O-N 3.37Å; L16-V20 HydrophobicContact CD1-CG2 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.98Å; L16-F90 HydrophobicContact CD1-CD1 4.03Å; L16-F90 HydrophobicContact CD1-CE1 4.23Å; L16-Y93 HydrophobicContact CB-CD1 3.73Å; L16-Y93 HydrophobicContact CB-CE1 3.91Å; L16-Y93 HydrophobicContact CB-CG 4.31Å; L16-Y93 HydrophobicContact CD1-CD1 4.07Å; L16-Y93 HydrophobicContact CD1-CD2 4.01Å; L16-Y93 HydrophobicContact CD1-CG 3.75Å; L16-Y93 HydrophobicContact CG-CD1 4.36Å; L16-Y93 HydrophobicContact CG-CG 4.47Å; L16-L97 HydrophobicContact CD2-CD1 3.82Å |
| 17 | I | 93.4 | Very high | 90.9 | Very high | 100 Ų | 100 | 59.9 Ų | 59.9 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 178.4 | -65.6 | 167.8 | 0 | 0 | 0 | 110.2 | V13 G14 H19 V20 V21 | V13-I17 HydrophobicContact CG1-CD1 4.1Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 2.68Å; G14-I17 PolarHBondContact O-N 3.2Å; I17-H19 VanDerWaalsContact C-N 3.26Å; I17-H19 PolarHBondContact O-N 2.92Å; I17-V20 PolarHBondContact O-N 3.44Å; I17-V20 VanDerWaalsContact O-N 3.17Å; I17-V21 HydrophobicContact CG2-CG2 4.3Å; I17-V21 WeakPolarHBondContact O-CG2 3.48Å; I17-V21 PolarHBondContact O-N 3.27Å |
| 18 | I | 91.7 | Very high | 91.3 | Very high | 110 Ų | 110 | 63.4 Ų | 63.4 | 56% | 0.564 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.2 | -42.2 | 177.2 | -69.4 | 166.2 | 0 | 0 | 0 | 110.3 | G14 V21 D22 | G14-I18 VanDerWaalsContact O-CG1 3.29Å; G14-I18 WeakPolarHBondContact O-CG1 3.26Å; G14-I18 PolarHBondContact O-N 2.66Å; I18-V21 PolarHBondContact O-N 3.46Å; I18-D22 WeakPolarHBondContact O-CB 3.27Å; I18-D22 PolarHBondContact O-N 3.3Å |
| 19 | H | 90.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 13% | 0.13 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 176.3 | -174 | 66.3 | 0 | 0 | 0 | 111.6 | G15 L16 I17 V21 D22 I23 | G15-H19 WeakPolarHBondContact O-CB 3.47Å; G15-H19 PolarHBondContact O-N 3.19Å; L16-H19 WeakPolarHBondContact O-CB 3.46Å; L16-H19 PolarHBondContact O-N 3.37Å; I17-H19 VanDerWaalsContact C-N 3.26Å; I17-H19 PolarHBondContact O-N 2.92Å; H19-V21 PolarHBondContact O-N 3.28Å; H19-D22 PolarHBondContact O-N 3.08Å; H19-I23 VanDerWaalsContact O-CG1 3.31Å; H19-I23 WeakPolarHBondContact O-CG1 3.38Å; H19-I23 PolarHBondContact O-N 2.76Å |
| 20 | V | 93.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | L16 I17 I23 G24 F90 | L16-V20 HydrophobicContact CD1-CG2 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.98Å; I17-V20 PolarHBondContact O-N 3.44Å; I17-V20 VanDerWaalsContact O-N 3.17Å; V20-I23 WeakPolarHBondContact O-CB 3.46Å; V20-I23 PolarHBondContact O-N 3.11Å; V20-G24 PolarHBondContact O-N 3.03Å; V20-G24 VanDerWaalsContact O-N 3.11Å; V20-F90 HydrophobicContact CG2-CE1 3.82Å; V20-F90 HydrophobicContact CG2-CZ 4.43Å |
| 21 | V | 93.1 | Very high | 92 | Very high | 83 Ų | 83 | 60.3 Ų | 60.3 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 178.2 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | I17 I18 H19 I23 G24 V25 | I17-V21 HydrophobicContact CG2-CG2 4.3Å; I17-V21 WeakPolarHBondContact O-CG2 3.48Å; I17-V21 PolarHBondContact O-N 3.27Å; I18-V21 PolarHBondContact O-N 3.46Å; H19-V21 PolarHBondContact O-N 3.28Å; V21-I23 VanDerWaalsContact C-N 3.3Å; V21-I23 PolarHBondContact O-N 2.95Å; V21-G24 PolarHBondContact O-N 3.29Å; V21-G24 VanDerWaalsContact O-N 3.07Å; V21-V25 HydrophobicContact CG1-CG2 4.11Å; V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.19Å |
| 22 | D | 91.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 177.1 | 168.7 | 118.4 | 0 | 0 | 0 | 111.8 | I18 H19 G24 V25 D26 R49 K140 | I18-D22 WeakPolarHBondContact O-CB 3.27Å; I18-D22 PolarHBondContact O-N 3.3Å; H19-D22 PolarHBondContact O-N 3.08Å; D22-G24 PolarHBondContact O-N 2.89Å; D22-V25 PolarHBondContact O-N 3.42Å; D22-D26 PolarHBondContact O-N 3.49Å; D22-R49 IonicContact OD2-NH1 3.86Å; D22-K140 IonicContact OD1-NZ 3.51Å; D22-K140 PolarHBondContact OD1-NZ 3.22Å; D22-K140 VanDerWaalsContact OD1-NZ 3.1Å; D22-K140 VanDerWaalsContact OD2-CE 3.26Å; D22-K140 WeakPolarHBondContact OD2-CE 3.46Å; D22-K140 IonicContact OD2-NZ 3.98Å; D22-K140 PolarHBondContact OD2-NZ 2.89Å |
| 23 | I | 92.1 | Very high | 92.3 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.2 | -49.6 | 170.7 | -65.7 | -171.1 | 0 | 0 | 0 | 112.1 | H19 V20 V21 F27 R49 F90 | H19-I23 VanDerWaalsContact O-CG1 3.31Å; H19-I23 WeakPolarHBondContact O-CG1 3.38Å; H19-I23 PolarHBondContact O-N 2.76Å; V20-I23 WeakPolarHBondContact O-CB 3.46Å; V20-I23 PolarHBondContact O-N 3.11Å; V21-I23 VanDerWaalsContact C-N 3.3Å; V21-I23 PolarHBondContact O-N 2.95Å; I23-F27 HydrophobicContact CG2-CD2 4.06Å; I23-F27 HydrophobicContact CG2-CE2 4Å; I23-F27 WeakPolarHBondContact O-CD2 3.27Å; I23-F27 PolarHBondContact O-N 2.67Å; I23-R49 VanDerWaalsContact CB-NH2 3.28Å; I23-F90 HydrophobicContact CD1-CZ 4.06Å |
| 24 | G | 93.9 | Very high | 92.3 | Very high | 40 Ų | 40 | 62.3 Ų | 62.3 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V20 V21 D22 F27 W28 | V20-G24 PolarHBondContact O-N 3.03Å; V20-G24 VanDerWaalsContact O-N 3.11Å; V21-G24 PolarHBondContact O-N 3.29Å; V21-G24 VanDerWaalsContact O-N 3.07Å; D22-G24 PolarHBondContact O-N 2.89Å; G24-F27 PolarHBondContact O-N 3.43Å; G24-W28 VanDerWaalsContact O-CB 3.31Å; G24-W28 WeakPolarHBondContact O-CB 3.26Å; G24-W28 PolarHBondContact O-N 2.95Å |
| 25 | V | 92.3 | Very high | 92.4 | Very high | 74 Ų | 74 | 66 Ų | 66 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | -179.9 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | V21 D22 F27 W28 V29 | V21-V25 HydrophobicContact CG1-CG2 4.11Å; V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.19Å; D22-V25 PolarHBondContact O-N 3.42Å; V25-F27 PolarHBondContact O-N 3.36Å; V25-W28 PolarHBondContact O-N 3.28Å; V25-V29 HydrophobicContact CG1-CG2 4.08Å; V25-V29 WeakPolarHBondContact O-CB 3.3Å; V25-V29 VanDerWaalsContact O-CG2 3.25Å; V25-V29 WeakPolarHBondContact O-CG2 3.46Å; V25-V29 PolarHBondContact O-N 3.22Å |
| 26 | D | 92.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 70.4 Ų | 70.4 | 6% | 0.059 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 177.9 | -84 | -6.4 | 0 | 0 | 0 | 112.8 | D22 V29 A30 R49 E144 Q148 | D22-D26 PolarHBondContact O-N 3.49Å; D26-V29 PolarHBondContact O-N 3.5Å; D26-A30 VanDerWaalsContact O-CB 3.28Å; D26-A30 WeakPolarHBondContact O-CB 3.38Å; D26-A30 PolarHBondContact O-N 2.89Å; D26-R49 WeakPolarHBondContact OD2-CD 3.46Å; D26-R49 IonicContact OD2-CZ 3.75Å; D26-R49 IonicContact OD2-NE 2.78Å; D26-R49 IonicContact OD2-NH1 2.79Å; D26-R49 PolarHBondContact OD2-NH1 3.05Å; D26-E144 VanDerWaalsContact OD2-OE1 3.08Å; D26-Q148 PolarHBondContact OD1-NE2 3.49Å; D26-Q148 PolarHBondContact OD1-OE1 2.75Å; D26-Q148 PolarHBondContact OD2-NE2 3.25Å |
| 27 | F | 94.4 | Very high | 92.4 | Very high | 118 Ų | 118 | 70.5 Ų | 70.5 | 52% | 0.518 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 178.1 | -77.1 | -63 | 0 | 0 | 0 | 111.9 | I23 G24 V25 S31 L46 | I23-F27 HydrophobicContact CG2-CD2 4.06Å; I23-F27 HydrophobicContact CG2-CE2 4Å; I23-F27 WeakPolarHBondContact O-CD2 3.27Å; I23-F27 PolarHBondContact O-N 2.67Å; G24-F27 PolarHBondContact O-N 3.43Å; V25-F27 PolarHBondContact O-N 3.36Å; F27-S31 VanDerWaalsContact O-CB 3.32Å; F27-S31 WeakPolarHBondContact O-CB 3.07Å; F27-S31 PolarHBondContact O-N 2.87Å; F27-L46 HydrophobicContact CD1-CD2 3.88Å; F27-L46 HydrophobicContact CE1-CD2 3.88Å |
| 28 | W | 93.9 | Very high | 92.2 | Very high | 189 Ų | 189 | 68.9 Ų | 68.9 | 72% | 0.716 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61 | -49.6 | 174.9 | 175.1 | -97.6 | 0 | 0 | 0 | 111.8 | G24 V25 S31 K32 | G24-W28 VanDerWaalsContact O-CB 3.31Å; G24-W28 WeakPolarHBondContact O-CB 3.26Å; G24-W28 PolarHBondContact O-N 2.95Å; V25-W28 PolarHBondContact O-N 3.28Å; W28-S31 PolarHBondContact O-N 3.33Å; W28-K32 PolarHBondContact O-N 2.91Å |
| 29 | V | 90.8 | Very high | 92.2 | Very high | 41 Ų | 41 | 70 Ų | 70 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64 | -44 | 179.3 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | V25 D26 K32 Y33 I45 | V25-V29 HydrophobicContact CG1-CG2 4.08Å; V25-V29 WeakPolarHBondContact O-CB 3.3Å; V25-V29 VanDerWaalsContact O-CG2 3.25Å; V25-V29 WeakPolarHBondContact O-CG2 3.46Å; V25-V29 PolarHBondContact O-N 3.22Å; D26-V29 PolarHBondContact O-N 3.5Å; V29-K32 WeakPolarHBondContact O-CB 3.26Å; V29-K32 PolarHBondContact O-N 3.11Å; V29-Y33 HydrophobicContact CG1-CD2 3.87Å; V29-Y33 HydrophobicContact CG1-CE2 3.46Å; V29-Y33 VanDerWaalsContact CG1-CE2 3.46Å; V29-Y33 WeakPolarHBondContact O-CD2 3.47Å; V29-Y33 PolarHBondContact O-N 3.27Å; V29-Y33 VanDerWaalsContact O-N 3.11Å; V29-I45 HydrophobicContact CG1-CD1 3.66Å |
| 30 | A | 93.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 73.2 Ų | 73.2 | 2% | 0.017 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D26 K32 Y33 F34 L46 | D26-A30 VanDerWaalsContact O-CB 3.28Å; D26-A30 WeakPolarHBondContact O-CB 3.38Å; D26-A30 PolarHBondContact O-N 2.89Å; A30-K32 VanDerWaalsContact C-N 3.26Å; A30-K32 PolarHBondContact O-N 2.88Å; A30-Y33 WeakPolarHBondContact O-CB 3.41Å; A30-Y33 PolarHBondContact O-N 3.33Å; A30-F34 WeakPolarHBondContact O-CD2 3.34Å; A30-F34 PolarHBondContact O-N 3.17Å; A30-L46 HydrophobicContact CB-CD1 4.17Å; A30-L46 HydrophobicContact CB-CD2 3.83Å; A30-L46 HydrophobicContact CB-CG 3.78Å |
| 31 | S | 93.8 | Very high | 92.1 | Very high | 63 Ų | 63 | 72.4 Ų | 72.4 | 44% | 0.441 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.7 | -40.3 | 178 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | F27 W28 F34 C35 | F27-S31 VanDerWaalsContact O-CB 3.32Å; F27-S31 WeakPolarHBondContact O-CB 3.07Å; F27-S31 PolarHBondContact O-N 2.87Å; W28-S31 PolarHBondContact O-N 3.33Å; S31-F34 PolarHBondContact O-N 3.45Å; S31-C35 PolarHBondContact O-N 3.37Å; S31-C35 PolarHBondContact O-SG 3.23Å |
| 32 | K | 91.6 | Very high | 92.1 | Very high | 114 Ų | 114 | 68.4 Ų | 68.4 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 175.9 | -175.6 | 175.8 | 174.4 | 176.1 | 0 | 111.4 | W28 V29 A30 F34 C35 E36 | W28-K32 PolarHBondContact O-N 2.91Å; V29-K32 WeakPolarHBondContact O-CB 3.26Å; V29-K32 PolarHBondContact O-N 3.11Å; A30-K32 VanDerWaalsContact C-N 3.26Å; A30-K32 PolarHBondContact O-N 2.88Å; K32-F34 VanDerWaalsContact C-N 3.33Å; K32-F34 PolarHBondContact O-N 2.92Å; K32-C35 PolarHBondContact O-N 2.89Å; K32-E36 WeakPolarHBondContact CE-OE1 3.44Å; K32-E36 IonicContact NZ-OE1 3.45Å; K32-E36 WeakPolarHBondContact O-CG 3.49Å; K32-E36 PolarHBondContact O-N 3.41Å |
| 33 | Y | 90.6 | Very high | 92.2 | Very high | 33 Ų | 33 | 70.8 Ų | 70.8 | 13% | 0.129 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 175.4 | -74.6 | -59.9 | 0 | 0 | 0 | 113 | V29 A30 E36 G37 Q38 W41 I45 I155 | V29-Y33 HydrophobicContact CG1-CD2 3.87Å; V29-Y33 HydrophobicContact CG1-CE2 3.46Å; V29-Y33 VanDerWaalsContact CG1-CE2 3.46Å; V29-Y33 WeakPolarHBondContact O-CD2 3.47Å; V29-Y33 PolarHBondContact O-N 3.27Å; V29-Y33 VanDerWaalsContact O-N 3.11Å; A30-Y33 WeakPolarHBondContact O-CB 3.41Å; A30-Y33 PolarHBondContact O-N 3.33Å; Y33-E36 PolarHBondContact O-N 2.92Å; Y33-G37 PolarHBondContact O-N 3.26Å; Y33-Q38 HydrophobicContact CD1-CB 4.04Å; Y33-Q38 CarbonylContact O-C 3.52Å; Y33-Q38 WeakPolarHBondContact O-CA 3.34Å; Y33-Q38 PolarHBondContact O-N 3.15Å; Y33-W41 HydrophobicContact CD1-CB 3.86Å; Y33-W41 HydrophobicContact CD2-CB 4.14Å; Y33-W41 HydrophobicContact CE1-CB 4.05Å; Y33-W41 HydrophobicContact CE1-CG 4.44Å; Y33-W41 HydrophobicContact CE2-CB 4.32Å; Y33-W41 HydrophobicContact CG-CB 3.92Å; Y33-I45 HydrophobicContact CD2-CD1 3.77Å; Y33-I45 HydrophobicContact CE2-CD1 3.45Å; Y33-I45 VanDerWaalsContact CE2-CD1 3.45Å; Y33-I155 HydrophobicContact CE1-CD1 4.25Å; Y33-I155 VanDerWaalsContact OH-CD1 3.25Å; Y33-I155 WeakPolarHBondContact OH-CD1 3.35Å |
| 34 | F | 93.1 | Very high | 92.2 | Very high | 76 Ų | 76 | 71.7 Ų | 71.7 | 33% | 0.333 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 173.8 | -79.6 | -81.9 | 0 | 0 | 0 | 111.9 | A30 S31 K32 E36 G37 Y39 I43 L46 | A30-F34 WeakPolarHBondContact O-CD2 3.34Å; A30-F34 PolarHBondContact O-N 3.17Å; S31-F34 PolarHBondContact O-N 3.45Å; K32-F34 VanDerWaalsContact C-N 3.33Å; K32-F34 PolarHBondContact O-N 2.92Å; F34-E36 VanDerWaalsContact C-N 3.33Å; F34-E36 PolarHBondContact O-N 2.87Å; F34-G37 PolarHBondContact O-N 3.32Å; F34-Y39 AromaticContact CD1-CD1 3.44Å; F34-Y39 HydrophobicContact CD1-CD1 3.44Å; F34-Y39 VanDerWaalsContact CD1-CD1 3.44Å; F34-Y39 AromaticContact CD1-CE1 3.95Å; F34-Y39 HydrophobicContact CD1-CE1 3.95Å; F34-Y39 AromaticContact CE1-CD1 3.94Å; F34-Y39 HydrophobicContact CE1-CD1 3.94Å; F34-Y39 HydrophobicContact CG-CD1 4.29Å; F34-Y39 WeakPolarHBondContact O-CE1 3.35Å; F34-I43 HydrophobicContact CE1-CG1 4.35Å; F34-I43 HydrophobicContact CZ-CG1 3.86Å; F34-L46 HydrophobicContact CE2-CD1 3.84Å; F34-L46 HydrophobicContact CZ-CD1 4.35Å |
| 35 | C | 93.2 | Very high | 92.2 | Very high | 105 Ų | 105 | 70.2 Ų | 70.2 | 71% | 0.709 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.3 | -34.3 | 177.3 | -67.8 | 0 | 0 | 0 | 0 | 112.7 | S31 K32 G37 | S31-C35 PolarHBondContact O-N 3.37Å; S31-C35 PolarHBondContact O-SG 3.23Å; K32-C35 PolarHBondContact O-N 2.89Å; C35-G37 PolarHBondContact O-N 3.32Å |
| 36 | E | 90.4 | Very high | 92.4 | Very high | 104 Ų | 104 | 69.4 Ų | 69.4 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 3.4 | 178 | -68.8 | 175.1 | 179.3 | 0 | 0 | 113.2 | K32 Y33 F34 Q38 | K32-E36 WeakPolarHBondContact CE-OE1 3.44Å; K32-E36 IonicContact NZ-OE1 3.45Å; K32-E36 WeakPolarHBondContact O-CG 3.49Å; K32-E36 PolarHBondContact O-N 3.41Å; Y33-E36 PolarHBondContact O-N 2.92Å; F34-E36 VanDerWaalsContact C-N 3.33Å; F34-E36 PolarHBondContact O-N 2.87Å; E36-Q38 HydrophobicContact CB-CG 4.5Å; E36-Q38 PolarHBondContact O-N 2.99Å |
| 37 | G | 90.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 72.4 Ų | 72.4 | 40% | 0.402 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 5.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y33 F34 C35 Y39 | Y33-G37 PolarHBondContact O-N 3.26Å; F34-G37 PolarHBondContact O-N 3.32Å; C35-G37 PolarHBondContact O-N 3.32Å; G37-Y39 VanDerWaalsContact C-N 3.3Å; G37-Y39 WeakPolarHBondContact O-CD2 3.28Å; G37-Y39 PolarHBondContact O-N 3Å; G37-Y39 VanDerWaalsContact O-N 3.16Å |
| 38 | Q | 89.7 | Confident | 92.6 | Very high | 66 Ų | 66 | 69 Ų | 69 | 31% | 0.308 | 36% | 0.356 | S | S | . | . | trans | -90.6 | 59.5 | -179.1 | -62.3 | -173.1 | 14.4 | 0 | 0 | 111.7 | Y33 E36 S40 W41 G42 | Y33-Q38 HydrophobicContact CD1-CB 4.04Å; Y33-Q38 CarbonylContact O-C 3.52Å; Y33-Q38 WeakPolarHBondContact O-CA 3.34Å; Y33-Q38 PolarHBondContact O-N 3.15Å; E36-Q38 HydrophobicContact CB-CG 4.5Å; E36-Q38 PolarHBondContact O-N 2.99Å; Q38-S40 VanDerWaalsContact C-N 3.28Å; Q38-S40 PolarHBondContact O-N 2.86Å; Q38-W41 PolarHBondContact O-N 3.38Å; Q38-G42 PolarHBondContact O-N 3.4Å | ||
| 39 | Y | 92 | Very high | 92.7 | Very high | 134 Ų | 134 | 61.1 Ų | 61.1 | 53% | 0.525 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.5 | -36.6 | -171.5 | -55.2 | -57.7 | 0 | 0 | 0 | 114.1 | F34 G37 W41 G42 I43 | F34-Y39 AromaticContact CD1-CD1 3.44Å; F34-Y39 HydrophobicContact CD1-CD1 3.44Å; F34-Y39 VanDerWaalsContact CD1-CD1 3.44Å; F34-Y39 AromaticContact CD1-CE1 3.95Å; F34-Y39 HydrophobicContact CD1-CE1 3.95Å; F34-Y39 AromaticContact CE1-CD1 3.94Å; F34-Y39 HydrophobicContact CE1-CD1 3.94Å; F34-Y39 HydrophobicContact CG-CD1 4.29Å; F34-Y39 WeakPolarHBondContact O-CE1 3.35Å; G37-Y39 VanDerWaalsContact C-N 3.3Å; G37-Y39 WeakPolarHBondContact O-CD2 3.28Å; G37-Y39 PolarHBondContact O-N 3Å; G37-Y39 VanDerWaalsContact O-N 3.16Å; Y39-W41 VanDerWaalsContact C-N 3.33Å; Y39-W41 PolarHBondContact O-N 3.06Å; Y39-G42 PolarHBondContact O-N 3.43Å; Y39-I43 WeakPolarHBondContact O-CB 3.13Å; Y39-I43 VanDerWaalsContact O-CG1 3.23Å; Y39-I43 WeakPolarHBondContact O-CG1 3.49Å; Y39-I43 PolarHBondContact O-N 3.5Å |
| 40 | S | 91.2 | Very high | 92.9 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 66% | 0.664 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.9 | -41.5 | -179.2 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | Q38 L44 | Q38-S40 VanDerWaalsContact C-N 3.28Å; Q38-S40 PolarHBondContact O-N 2.86Å; S40-L44 VanDerWaalsContact O-CB 3.32Å; S40-L44 WeakPolarHBondContact O-CB 3.29Å; S40-L44 PolarHBondContact O-N 3.33Å |
| 41 | W | 90.3 | Very high | 93 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.8 | -42.5 | 179.4 | -63.8 | 128.5 | 0 | 0 | 0 | 111.9 | Y33 Q38 Y39 L44 I45 V151 Y154 I155 | Y33-W41 HydrophobicContact CD1-CB 3.86Å; Y33-W41 HydrophobicContact CD2-CB 4.14Å; Y33-W41 HydrophobicContact CE1-CB 4.05Å; Y33-W41 HydrophobicContact CE1-CG 4.44Å; Y33-W41 HydrophobicContact CE2-CB 4.32Å; Y33-W41 HydrophobicContact CG-CB 3.92Å; Q38-W41 PolarHBondContact O-N 3.38Å; Y39-W41 VanDerWaalsContact C-N 3.33Å; Y39-W41 PolarHBondContact O-N 3.06Å; W41-L44 HydrophobicContact CE3-CD2 4.11Å; W41-L44 HydrophobicContact CZ3-CD2 4.08Å; W41-L44 PolarHBondContact O-N 2.89Å; W41-I45 WeakPolarHBondContact O-CG1 3.42Å; W41-I45 PolarHBondContact O-N 3.21Å; W41-I45 VanDerWaalsContact O-N 3.07Å; W41-V151 HydrophobicContact CD2-CG1 4.33Å; W41-V151 HydrophobicContact CE3-CG1 3.4Å; W41-V151 HydrophobicContact CZ3-CB 4.42Å; W41-V151 HydrophobicContact CZ3-CG1 3.59Å; W41-V151 HydrophobicContact CZ3-CG2 4.25Å; W41-Y154 AromaticContact CH2-CD1 3.43Å; W41-Y154 HydrophobicContact CH2-CD1 3.43Å; W41-Y154 VanDerWaalsContact CH2-CD1 3.43Å; W41-Y154 AromaticContact CH2-CE1 3.59Å; W41-Y154 HydrophobicContact CH2-CE1 3.59Å; W41-Y154 AromaticContact CZ2-CD1 3.86Å; W41-Y154 HydrophobicContact CZ2-CD1 3.86Å; W41-Y154 AromaticContact CZ2-CE1 3.78Å; W41-Y154 HydrophobicContact CZ2-CE1 3.78Å; W41-Y154 HydrophobicContact CZ3-CD1 4.44Å; W41-I155 HydrophobicContact CD2-CD1 3.85Å; W41-I155 HydrophobicContact CD2-CG1 4.33Å; W41-I155 HydrophobicContact CE3-CD1 4.16Å; W41-I155 HydrophobicContact CG-CD1 4.07Å; W41-I155 HydrophobicContact CH2-CG1 4.41Å; W41-I155 HydrophobicContact CZ2-CG1 4.09Å |
| 42 | G | 92.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q38 Y39 L44 I45 L46 | Q38-G42 PolarHBondContact O-N 3.4Å; Y39-G42 PolarHBondContact O-N 3.43Å; G42-L44 PolarHBondContact O-N 3.32Å; G42-I45 PolarHBondContact O-N 3.44Å; G42-L46 WeakPolarHBondContact O-CG 3.28Å; G42-L46 PolarHBondContact O-N 2.85Å; G42-L46 VanDerWaalsContact O-N 3.15Å |
| 43 | I | 94.2 | Very high | 93.3 | Very high | 87 Ų | 87 | 58 Ų | 58 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.1 | -68.5 | 166.9 | 0 | 0 | 0 | 110.5 | F34 Y39 I45 L46 C47 | F34-I43 HydrophobicContact CE1-CG1 4.35Å; F34-I43 HydrophobicContact CZ-CG1 3.86Å; Y39-I43 WeakPolarHBondContact O-CB 3.13Å; Y39-I43 VanDerWaalsContact O-CG1 3.23Å; Y39-I43 WeakPolarHBondContact O-CG1 3.49Å; Y39-I43 PolarHBondContact O-N 3.5Å; I43-I45 PolarHBondContact O-N 3.27Å; I43-L46 PolarHBondContact O-N 3.39Å; I43-C47 WeakPolarHBondContact O-CB 3.5Å; I43-C47 PolarHBondContact O-N 3.32Å; I43-C47 PolarHBondContact O-SG 3.3Å |
| 44 | L | 93.7 | Very high | 93.5 | Very high | 57 Ų | 57 | 59.7 Ų | 59.7 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | -178.2 | -172.3 | 62.6 | 0 | 0 | 0 | 112.4 | S40 W41 G42 C47 F48 V151 | S40-L44 VanDerWaalsContact O-CB 3.32Å; S40-L44 WeakPolarHBondContact O-CB 3.29Å; S40-L44 PolarHBondContact O-N 3.33Å; W41-L44 HydrophobicContact CE3-CD2 4.11Å; W41-L44 HydrophobicContact CZ3-CD2 4.08Å; W41-L44 PolarHBondContact O-N 2.89Å; G42-L44 PolarHBondContact O-N 3.32Å; L44-C47 WeakPolarHBondContact O-CB 3.32Å; L44-C47 PolarHBondContact O-N 2.9Å; L44-F48 HydrophobicContact CD1-CD2 4.44Å; L44-F48 HydrophobicContact CD1-CE1 4.28Å; L44-F48 HydrophobicContact CD1-CE2 3.74Å; L44-F48 HydrophobicContact CD1-CZ 3.62Å; L44-F48 HydrophobicContact CD2-CE2 4.06Å; L44-F48 HydrophobicContact CD2-CZ 4.44Å; L44-F48 HydrophobicContact CG-CD2 4.14Å; L44-F48 HydrophobicContact CG-CE2 3.52Å; L44-F48 HydrophobicContact CG-CZ 3.95Å; L44-F48 VanDerWaalsContact O-CD2 3.28Å; L44-F48 WeakPolarHBondContact O-CD2 3.39Å; L44-F48 WeakPolarHBondContact O-CG 3.5Å; L44-F48 PolarHBondContact O-N 3.35Å; L44-V151 HydrophobicContact CD2-CG2 3.42Å; L44-V151 VanDerWaalsContact CD2-CG2 3.42Å; L44-V151 HydrophobicContact CG-CG2 4.25Å |
| 45 | I | 93.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 176.1 | -69.2 | 173 | 0 | 0 | 0 | 110.9 | V29 Y33 W41 G42 I43 C47 F48 R49 | V29-I45 HydrophobicContact CG1-CD1 3.66Å; Y33-I45 HydrophobicContact CD2-CD1 3.77Å; Y33-I45 HydrophobicContact CE2-CD1 3.45Å; Y33-I45 VanDerWaalsContact CE2-CD1 3.45Å; W41-I45 WeakPolarHBondContact O-CG1 3.42Å; W41-I45 PolarHBondContact O-N 3.21Å; W41-I45 VanDerWaalsContact O-N 3.07Å; G42-I45 PolarHBondContact O-N 3.44Å; I43-I45 PolarHBondContact O-N 3.27Å; I45-C47 VanDerWaalsContact C-N 3.33Å; I45-C47 PolarHBondContact O-N 3.37Å; I45-F48 PolarHBondContact O-N 2.89Å; I45-R49 WeakPolarHBondContact O-CB 3.29Å; I45-R49 PolarHBondContact O-N 2.82Å |
| 46 | L | 95.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 52.2 Ų | 52.2 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.8 | -34.4 | 177.5 | -68.3 | 177.9 | 0 | 0 | 0 | 112.4 | F27 A30 F34 G42 I43 G50 | F27-L46 HydrophobicContact CD1-CD2 3.88Å; F27-L46 HydrophobicContact CE1-CD2 3.88Å; A30-L46 HydrophobicContact CB-CD1 4.17Å; A30-L46 HydrophobicContact CB-CD2 3.83Å; A30-L46 HydrophobicContact CB-CG 3.78Å; F34-L46 HydrophobicContact CE2-CD1 3.84Å; F34-L46 HydrophobicContact CZ-CD1 4.35Å; G42-L46 WeakPolarHBondContact O-CG 3.28Å; G42-L46 PolarHBondContact O-N 2.85Å; G42-L46 VanDerWaalsContact O-N 3.15Å; I43-L46 PolarHBondContact O-N 3.39Å; L46-G50 PolarHBondContact O-N 3.27Å |
| 47 | C | 95.9 | Very high | 93.9 | Very high | 73 Ų | 73 | 47.7 Ų | 47.7 | 49% | 0.493 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 175.4 | -77.3 | 0 | 0 | 0 | 0 | 111.8 | I43 L44 I45 R49 G50 L51 | I43-C47 WeakPolarHBondContact O-CB 3.5Å; I43-C47 PolarHBondContact O-N 3.32Å; I43-C47 PolarHBondContact O-SG 3.3Å; L44-C47 WeakPolarHBondContact O-CB 3.32Å; L44-C47 PolarHBondContact O-N 2.9Å; I45-C47 VanDerWaalsContact C-N 3.33Å; I45-C47 PolarHBondContact O-N 3.37Å; C47-R49 VanDerWaalsContact C-N 3.33Å; C47-R49 PolarHBondContact O-N 3.46Å; C47-G50 PolarHBondContact O-N 3.23Å; C47-L51 VanDerWaalsContact O-CB 3.29Å; C47-L51 WeakPolarHBondContact O-CB 3.4Å; C47-L51 PolarHBondContact O-N 3.48Å |
| 48 | F | 95.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 177.3 | -68.7 | -42 | 0 | 0 | 0 | 111.8 | L44 I45 S52 P147 Q148 V151 | L44-F48 HydrophobicContact CD1-CD2 4.44Å; L44-F48 HydrophobicContact CD1-CE1 4.28Å; L44-F48 HydrophobicContact CD1-CE2 3.74Å; L44-F48 HydrophobicContact CD1-CZ 3.62Å; L44-F48 HydrophobicContact CD2-CE2 4.06Å; L44-F48 HydrophobicContact CD2-CZ 4.44Å; L44-F48 HydrophobicContact CG-CD2 4.14Å; L44-F48 HydrophobicContact CG-CE2 3.52Å; L44-F48 HydrophobicContact CG-CZ 3.95Å; L44-F48 VanDerWaalsContact O-CD2 3.28Å; L44-F48 WeakPolarHBondContact O-CD2 3.39Å; L44-F48 WeakPolarHBondContact O-CG 3.5Å; L44-F48 PolarHBondContact O-N 3.35Å; I45-F48 PolarHBondContact O-N 2.89Å; F48-S52 VanDerWaalsContact O-CB 3.23Å; F48-S52 WeakPolarHBondContact O-CB 3.38Å; F48-S52 PolarHBondContact O-N 3.5Å; F48-P147 HydrophobicContact CD1-CB 3.68Å; F48-P147 HydrophobicContact CD1-CG 4.25Å; F48-P147 HydrophobicContact CD2-CB 3.7Å; F48-P147 HydrophobicContact CE1-CB 3.55Å; F48-P147 HydrophobicContact CE1-CG 4.3Å; F48-P147 HydrophobicContact CE2-CB 3.52Å; F48-P147 HydrophobicContact CG-CB 3.78Å; F48-P147 HydrophobicContact CZ-CB 3.47Å; F48-P147 VanDerWaalsContact CZ-CB 3.47Å; F48-Q148 HydrophobicContact CB-CG 4.34Å; F48-Q148 HydrophobicContact CD2-CG 4.14Å; F48-V151 HydrophobicContact CE2-CG2 4.05Å |
| 49 | R | 95.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -50.2 | 174.6 | 175.8 | 175.2 | -173.4 | 62.3 | 20.8 | 112.9 | D22 I23 D26 I45 C47 S53 E144 | D22-R49 IonicContact OD2-NH1 3.86Å; I23-R49 VanDerWaalsContact CB-NH2 3.28Å; D26-R49 WeakPolarHBondContact OD2-CD 3.46Å; D26-R49 IonicContact OD2-CZ 3.75Å; D26-R49 IonicContact OD2-NE 2.78Å; D26-R49 IonicContact OD2-NH1 2.79Å; D26-R49 PolarHBondContact OD2-NH1 3.05Å; I45-R49 WeakPolarHBondContact O-CB 3.29Å; I45-R49 PolarHBondContact O-N 2.82Å; C47-R49 VanDerWaalsContact C-N 3.33Å; C47-R49 PolarHBondContact O-N 3.46Å; R49-S53 VanDerWaalsContact O-CB 3.25Å; R49-S53 WeakPolarHBondContact O-CB 3.44Å; R49-S53 PolarHBondContact O-N 3.47Å; R49-E144 HydrophobicContact CB-CG 4.31Å; R49-E144 IonicContact NH1-OE1 3.73Å |
| 50 | G | 95.6 | Very high | 94.3 | Very high | 31 Ų | 31 | 40 Ų | 40 | 32% | 0.32 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L46 C47 S53 V54 | L46-G50 PolarHBondContact O-N 3.27Å; C47-G50 PolarHBondContact O-N 3.23Å; G50-S53 PolarHBondContact O-N 3.43Å; G50-V54 WeakPolarHBondContact O-CG2 3.48Å; G50-V54 PolarHBondContact O-N 3.37Å |
| 51 | L | 95.5 | Very high | 94.4 | Very high | 96 Ų | 96 | 36.9 Ų | 36.9 | 50% | 0.503 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.8 | -51.4 | 178.6 | 178.3 | 63.7 | 0 | 0 | 0 | 111.9 | C47 S53 V54 V55 | C47-L51 VanDerWaalsContact O-CB 3.29Å; C47-L51 WeakPolarHBondContact O-CB 3.4Å; C47-L51 PolarHBondContact O-N 3.48Å; L51-S53 VanDerWaalsContact C-N 3.32Å; L51-S53 PolarHBondContact O-N 3.07Å; L51-V54 PolarHBondContact O-N 3.17Å; L51-V55 HydrophobicContact CD1-CG2 4.4Å; L51-V55 WeakPolarHBondContact O-CG2 3.4Å; L51-V55 PolarHBondContact O-N 3.49Å |
| 52 | S | 96.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57 | -45.1 | 175.7 | 159.5 | 0 | 0 | 0 | 0 | 112 | F48 V55 T56 K140 E144 | F48-S52 VanDerWaalsContact O-CB 3.23Å; F48-S52 WeakPolarHBondContact O-CB 3.38Å; F48-S52 PolarHBondContact O-N 3.5Å; S52-V55 PolarHBondContact O-N 3.37Å; S52-T56 WeakPolarHBondContact O-CB 3.46Å; S52-T56 WeakPolarHBondContact O-CG2 3.4Å; S52-T56 PolarHBondContact O-N 3.26Å; S52-T56 PolarHBondContact O-OG1 3.29Å; S52-K140 WeakPolarHBondContact OG-CA 3.34Å; S52-E144 VanDerWaalsContact CB-OE2 3.23Å; S52-E144 WeakPolarHBondContact CB-OE2 3.35Å; S52-E144 PolarHBondContact OG-OE2 3.02Å |
| 53 | S | 95.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 36 Ų | 36 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -47 | 178.7 | -158.2 | 0 | 0 | 0 | 0 | 111.4 | R49 G50 L51 V55 T56 Q57 H86 | R49-S53 VanDerWaalsContact O-CB 3.25Å; R49-S53 WeakPolarHBondContact O-CB 3.44Å; R49-S53 PolarHBondContact O-N 3.47Å; G50-S53 PolarHBondContact O-N 3.43Å; L51-S53 VanDerWaalsContact C-N 3.32Å; L51-S53 PolarHBondContact O-N 3.07Å; S53-V55 PolarHBondContact O-N 3.15Å; S53-T56 WeakPolarHBondContact CA-OG1 3.48Å; S53-T56 PolarHBondContact O-N 3.49Å; S53-T56 PolarHBondContact O-OG1 3.3Å; S53-Q57 WeakPolarHBondContact O-CB 3.34Å; S53-Q57 WeakPolarHBondContact O-CG 3.49Å; S53-Q57 PolarHBondContact O-N 2.94Å; S53-H86 WeakPolarHBondContact CB-ND1 3.33Å; S53-H86 PolarHBondContact OG-ND1 3.09Å |
| 54 | V | 95.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 33.2 Ų | 33.2 | 42% | 0.418 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.3 | -49 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | G50 L51 T56 Q57 L58 | G50-V54 WeakPolarHBondContact O-CG2 3.48Å; G50-V54 PolarHBondContact O-N 3.37Å; L51-V54 PolarHBondContact O-N 3.17Å; V54-T56 PolarHBondContact O-N 2.94Å; V54-Q57 PolarHBondContact O-N 2.82Å; V54-L58 HydrophobicContact CG1-CD1 4Å; V54-L58 HydrophobicContact CG1-CG 4.38Å; V54-L58 VanDerWaalsContact O-CG 3.3Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 3.27Å |
| 55 | V | 95.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -45.7 | -179.3 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L51 S52 S53 Q57 L58 F59 L143 V267 | L51-V55 HydrophobicContact CD1-CG2 4.4Å; L51-V55 WeakPolarHBondContact O-CG2 3.4Å; L51-V55 PolarHBondContact O-N 3.49Å; S52-V55 PolarHBondContact O-N 3.37Å; S53-V55 PolarHBondContact O-N 3.15Å; V55-Q57 PolarHBondContact O-N 2.97Å; V55-L58 PolarHBondContact O-N 3.46Å; V55-F59 HydrophobicContact CG1-CD2 3.79Å; V55-F59 HydrophobicContact CG1-CE2 3.68Å; V55-F59 VanDerWaalsContact O-CD2 3.25Å; V55-F59 WeakPolarHBondContact O-CD2 3.44Å; V55-F59 PolarHBondContact O-N 2.98Å; V55-F59 VanDerWaalsContact O-N 3.1Å; V55-L143 HydrophobicContact CB-CD1 3.83Å; V55-L143 HydrophobicContact CG1-CD1 3.66Å; V55-L143 HydrophobicContact CG2-CD1 4.1Å; V55-V267 HydrophobicContact CG1-CG2 3.7Å |
| 56 | T | 94.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -37.4 | 179.1 | 52 | 0 | 0 | 0 | 0 | 112.4 | S52 S53 V54 S60 F139 K140 | S52-T56 WeakPolarHBondContact O-CB 3.46Å; S52-T56 WeakPolarHBondContact O-CG2 3.4Å; S52-T56 PolarHBondContact O-N 3.26Å; S52-T56 PolarHBondContact O-OG1 3.29Å; S53-T56 WeakPolarHBondContact CA-OG1 3.48Å; S53-T56 PolarHBondContact O-N 3.49Å; S53-T56 PolarHBondContact O-OG1 3.3Å; V54-T56 PolarHBondContact O-N 2.94Å; T56-S60 WeakPolarHBondContact O-CB 3.38Å; T56-S60 PolarHBondContact O-N 3.38Å; T56-F139 HydrophobicContact CG2-CB 4.11Å; T56-K140 HydrophobicContact CG2-CB 4.27Å |
| 57 | Q | 94.5 | Very high | 92.4 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 174.5 | -64.1 | -63.5 | -18.3 | 0 | 0 | 111.9 | S53 V54 V55 S60 Y61 H83 H86 G88 | S53-Q57 WeakPolarHBondContact O-CB 3.34Å; S53-Q57 WeakPolarHBondContact O-CG 3.49Å; S53-Q57 PolarHBondContact O-N 2.94Å; V54-Q57 PolarHBondContact O-N 2.82Å; V55-Q57 PolarHBondContact O-N 2.97Å; Q57-S60 PolarHBondContact O-N 2.91Å; Q57-Y61 VanDerWaalsContact O-CB 3.29Å; Q57-Y61 WeakPolarHBondContact O-CB 3.39Å; Q57-Y61 PolarHBondContact O-N 3.49Å; Q57-H83 HydrophobicContact CB-CB 4.48Å; Q57-H83 PolarHBondContact O-CD2 3.25Å; Q57-H83 VanDerWaalsContact O-CD2 3.27Å; Q57-H83 PolarHBondContact OE1-CD2 2.96Å; Q57-H86 PolarHBondContact NE2-O 2.71Å; Q57-G88 VanDerWaalsContact OE1-CA 3.24Å |
| 58 | L | 94.3 | Very high | 91.6 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 40% | 0.403 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60 | -48.4 | 176.9 | -71.9 | 173.6 | 0 | 0 | 0 | 111.5 | V54 V55 Y61 E62 M260 L263 | V54-L58 HydrophobicContact CG1-CD1 4Å; V54-L58 HydrophobicContact CG1-CG 4.38Å; V54-L58 VanDerWaalsContact O-CG 3.3Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 3.27Å; V55-L58 PolarHBondContact O-N 3.46Å; L58-Y61 PolarHBondContact O-N 3.03Å; L58-E62 PolarHBondContact O-N 3.27Å; L58-E62 VanDerWaalsContact O-N 3.08Å; L58-M260 HydrophobicContact CB-CE 4.1Å; L58-M260 WeakPolarHBondContact O-CE 3.26Å; L58-L263 HydrophobicContact CB-CD2 4.4Å; L58-L263 HydrophobicContact CD1-CD2 4.03Å |
| 59 | F | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 175.5 | -79.9 | -65.4 | 0 | 0 | 0 | 112.1 | V55 Y61 E62 W63 L136 F139 M260 L263 Y264 V267 | V55-F59 HydrophobicContact CG1-CD2 3.79Å; V55-F59 HydrophobicContact CG1-CE2 3.68Å; V55-F59 VanDerWaalsContact O-CD2 3.25Å; V55-F59 WeakPolarHBondContact O-CD2 3.44Å; V55-F59 PolarHBondContact O-N 2.98Å; V55-F59 VanDerWaalsContact O-N 3.1Å; F59-Y61 VanDerWaalsContact C-N 3.31Å; F59-Y61 PolarHBondContact O-N 3.27Å; F59-E62 PolarHBondContact O-N 2.93Å; F59-W63 HydrophobicContact CB-CH2 4.5Å; F59-W63 HydrophobicContact CB-CZ2 3.99Å; F59-W63 HydrophobicContact CD1-CZ2 4.14Å; F59-W63 HydrophobicContact CG-CZ2 4.29Å; F59-W63 WeakPolarHBondContact O-CB 3.5Å; F59-W63 PolarHBondContact O-N 3.03Å; F59-L136 HydrophobicContact CB-CD2 3.69Å; F59-F139 HydrophobicContact CB-CE2 4.43Å; F59-F139 HydrophobicContact CD1-CE2 4.27Å; F59-F139 AromaticContact CD2-CD2 3.72Å; F59-F139 HydrophobicContact CD2-CD2 3.72Å; F59-F139 AromaticContact CD2-CE2 3.5Å; F59-F139 HydrophobicContact CD2-CE2 3.5Å; F59-F139 VanDerWaalsContact CD2-CE2 3.5Å; F59-F139 HydrophobicContact CE1-CE2 4.5Å; F59-F139 HydrophobicContact CE2-CD2 4.15Å; F59-F139 AromaticContact CE2-CE2 3.75Å; F59-F139 HydrophobicContact CE2-CE2 3.75Å; F59-F139 HydrophobicContact CE2-CZ 4.38Å; F59-F139 HydrophobicContact CG-CD2 4.29Å; F59-F139 AromaticContact CG-CE2 3.81Å; F59-F139 HydrophobicContact CG-CE2 3.81Å; F59-F139 HydrophobicContact CZ-CE2 4.27Å; F59-M260 HydrophobicContact CD1-CE 3.9Å; F59-M260 HydrophobicContact CE1-CE 4.07Å; F59-M260 HydrophobicContact CG-CE 4.34Å; F59-L263 HydrophobicContact CE2-CD2 4Å; F59-L263 HydrophobicContact CE2-CG 3.98Å; F59-L263 HydrophobicContact CZ-CB 4.28Å; F59-L263 HydrophobicContact CZ-CD2 4.08Å; F59-L263 HydrophobicContact CZ-CG 3.89Å; F59-Y264 HydrophobicContact CE1-CD2 4.5Å; F59-V267 HydrophobicContact CE2-CG2 4.25Å |
| 60 | S | 93.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 178.9 | 174.8 | 0 | 0 | 0 | 0 | 112 | T56 Q57 W63 F64 H83 R92 | T56-S60 WeakPolarHBondContact O-CB 3.38Å; T56-S60 PolarHBondContact O-N 3.38Å; Q57-S60 PolarHBondContact O-N 2.91Å; S60-W63 PolarHBondContact O-N 2.98Å; S60-F64 WeakPolarHBondContact O-CD2 3.42Å; S60-F64 PolarHBondContact O-N 3.49Å; S60-H83 WeakPolarHBondContact CB-NE2 3.32Å; S60-H83 PolarHBondContact OG-NE2 2.89Å; S60-R92 PolarHBondContact O-NE 3.19Å; S60-R92 PolarHBondContact O-NH2 3.41Å; S60-R92 VanDerWaalsContact OG-CD 3.23Å; S60-R92 WeakPolarHBondContact OG-CD 3.13Å; S60-R92 PolarHBondContact OG-NE 2.91Å |
| 61 | Y | 91.9 | Very high | 87.5 | Confident | 31 Ų | 31 | 50 Ų | 50 | 12% | 0.122 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -50.2 | 179.1 | 174.1 | -102.8 | 0 | 0 | 0 | 111.7 | Q57 L58 F59 W63 F64 K65 L76 I79 L80 H83 | Q57-Y61 VanDerWaalsContact O-CB 3.29Å; Q57-Y61 WeakPolarHBondContact O-CB 3.39Å; Q57-Y61 PolarHBondContact O-N 3.49Å; L58-Y61 PolarHBondContact O-N 3.03Å; F59-Y61 VanDerWaalsContact C-N 3.31Å; F59-Y61 PolarHBondContact O-N 3.27Å; Y61-W63 VanDerWaalsContact C-N 3.27Å; Y61-W63 PolarHBondContact O-N 3.33Å; Y61-F64 WeakPolarHBondContact O-CB 3.42Å; Y61-F64 PolarHBondContact O-N 3.5Å; Y61-F64 VanDerWaalsContact O-N 3.09Å; Y61-K65 HydrophobicContact CE1-CD 4.46Å; Y61-K65 PolarHBondContact O-N 3.4Å; Y61-L76 HydrophobicContact CE2-CD1 3.94Å; Y61-I79 HydrophobicContact CD2-CG2 4.05Å; Y61-I79 HydrophobicContact CE2-CG2 4.34Å; Y61-L80 HydrophobicContact CD2-CB 4.4Å; Y61-L80 HydrophobicContact CD2-CD1 4.2Å; Y61-L80 HydrophobicContact CE1-CD1 4.18Å; Y61-L80 HydrophobicContact CE2-CB 3.69Å; Y61-L80 HydrophobicContact CE2-CD1 3.86Å; Y61-L80 HydrophobicContact CE2-CG 4.37Å; Y61-H83 PolarHBondContact N-NE2 3.48Å |
| 62 | E | 89.9 | Confident | 86.7 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -35.9 | -179.9 | -81 | -71.7 | 149.6 | 0 | 0 | 112 | L58 F59 K65 N66 M260 | L58-E62 PolarHBondContact O-N 3.27Å; L58-E62 VanDerWaalsContact O-N 3.08Å; F59-E62 PolarHBondContact O-N 2.93Å; E62-K65 PolarHBondContact O-N 3.24Å; E62-N66 WeakPolarHBondContact O-CB 3.17Å; E62-N66 PolarHBondContact O-N 3.26Å; E62-N66 PolarHBondContact O-ND2 3.09Å; E62-M260 HydrophobicContact CB-CE 3.91Å; E62-M260 HydrophobicContact CG-CE 3.64Å; E62-M260 HydrophobicContact CG-CG 3.8Å; E62-M260 HydrophobicContact CG-SD 3.95Å |
| 63 | W | 88.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 172.5 | -66.6 | -5.1 | 0 | 0 | 0 | 111.6 | F59 S60 Y61 K65 N66 D67 D132 M135 L136 F139 F254 R373 | F59-W63 HydrophobicContact CB-CH2 4.5Å; F59-W63 HydrophobicContact CB-CZ2 3.99Å; F59-W63 HydrophobicContact CD1-CZ2 4.14Å; F59-W63 HydrophobicContact CG-CZ2 4.29Å; F59-W63 WeakPolarHBondContact O-CB 3.5Å; F59-W63 PolarHBondContact O-N 3.03Å; S60-W63 PolarHBondContact O-N 2.98Å; Y61-W63 VanDerWaalsContact C-N 3.27Å; Y61-W63 PolarHBondContact O-N 3.33Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 PolarHBondContact O-N 3.38Å; W63-N66 PolarHBondContact O-N 3.22Å; W63-N66 VanDerWaalsContact O-N 3.09Å; W63-D67 PolarHBondContact O-N 3.28Å; W63-D67 VanDerWaalsContact O-OD2 3.07Å; W63-D132 HydrophobicContact CE3-CB 3.9Å; W63-D132 HydrophobicContact CZ3-CB 3.76Å; W63-D132 WeakPolarHBondContact CZ3-O 3.31Å; W63-M135 HydrophobicContact CH2-CB 3.98Å; W63-M135 HydrophobicContact CH2-CG 3.82Å; W63-M135 HydrophobicContact CZ2-CG 4.44Å; W63-L136 HydrophobicContact CE3-CD1 4.31Å; W63-L136 HydrophobicContact CE3-CD2 4.39Å; W63-L136 HydrophobicContact CE3-CG 4.34Å; W63-L136 HydrophobicContact CH2-CD2 3.63Å; W63-L136 HydrophobicContact CH2-CG 3.8Å; W63-L136 HydrophobicContact CZ2-CD2 4.37Å; W63-L136 HydrophobicContact CZ3-CD1 3.86Å; W63-L136 HydrophobicContact CZ3-CD2 3.68Å; W63-L136 HydrophobicContact CZ3-CG 3.47Å; W63-L136 VanDerWaalsContact CZ3-CG 3.47Å; W63-F139 HydrophobicContact CH2-CE2 4.46Å; W63-F139 HydrophobicContact CZ2-CE2 4.33Å; W63-F254 AromaticContact CE2-CE1 3.61Å; W63-F254 AromaticContact CE2-CZ 4Å; W63-F254 HydrophobicContact CH2-CE1 4.47Å; W63-F254 HydrophobicContact CH2-CZ 4.4Å; W63-F254 AromaticContact CZ2-CE1 3.39Å; W63-F254 HydrophobicContact CZ2-CE1 3.39Å; W63-F254 AromaticContact CZ2-CZ 3.66Å; W63-F254 HydrophobicContact CZ2-CZ 3.66Å; W63-F254 AromaticContact NE1-CE1 3.45Å; W63-R373 VanDerWaalsContact CE3-NH1 3.3Å; W63-R373 VanDerWaalsContact CG-CZ 3.44Å |
| 64 | F | 86.9 | Confident | 85.5 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.4 | -88 | -61 | 0 | 0 | 0 | 112 | S60 Y61 N66 D67 W68 I79 H83 I91 R92 F95 | S60-F64 WeakPolarHBondContact O-CD2 3.42Å; S60-F64 PolarHBondContact O-N 3.49Å; Y61-F64 WeakPolarHBondContact O-CB 3.42Å; Y61-F64 PolarHBondContact O-N 3.5Å; Y61-F64 VanDerWaalsContact O-N 3.09Å; F64-N66 VanDerWaalsContact C-N 3.27Å; F64-N66 PolarHBondContact O-N 3.05Å; F64-D67 PolarHBondContact O-N 2.92Å; F64-W68 PolarHBondContact O-N 3.33Å; F64-I79 HydrophobicContact CB-CG2 4.36Å; F64-I79 HydrophobicContact CD2-CG2 4.38Å; F64-H83 AromaticContact CD2-CE1 3.46Å; F64-H83 VanDerWaalsContact CD2-CE1 3.46Å; F64-H83 WeakPolarHBondContact CD2-CE1 3.05Å; F64-H83 AromaticContact CD2-NE2 3.62Å; F64-H83 AromaticContact CE2-CE1 3.67Å; F64-H83 AromaticContact CE2-NE2 3.8Å; F64-I91 HydrophobicContact CE1-CG2 4.38Å; F64-I91 HydrophobicContact CE2-CG2 4.3Å; F64-I91 HydrophobicContact CZ-CB 4.38Å; F64-I91 HydrophobicContact CZ-CG2 3.71Å; F64-R92 HydrophobicContact CD2-CG 4.32Å; F64-R92 HydrophobicContact CE1-CG 4.38Å; F64-R92 HydrophobicContact CE2-CG 3.3Å; F64-R92 HydrophobicContact CZ-CB 4.31Å; F64-R92 HydrophobicContact CZ-CG 3.33Å; F64-F95 AromaticContact CE1-CD2 3.84Å; F64-F95 HydrophobicContact CE1-CD2 3.84Å; F64-F95 AromaticContact CE1-CE2 3.97Å; F64-F95 HydrophobicContact CE1-CE2 3.97Å; F64-F95 HydrophobicContact CZ-CD2 4.08Å; F64-F95 HydrophobicContact CZ-CE2 4.38Å |
| 65 | K | 86.6 | Confident | 84.9 | Confident | 88 Ų | 88 | 60.3 Ų | 60.3 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 175.4 | -177.3 | -178.5 | 174.1 | -174 | 0 | 111.9 | Y61 E62 W63 L76 | Y61-K65 HydrophobicContact CE1-CD 4.46Å; Y61-K65 PolarHBondContact O-N 3.4Å; E62-K65 PolarHBondContact O-N 3.24Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 PolarHBondContact O-N 3.38Å; K65-L76 HydrophobicContact CB-CD1 4.24Å; K65-L76 HydrophobicContact CG-CD1 4.24Å |
| 66 | N | 84.1 | Confident | 84.4 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -78.3 | -28.1 | -179.8 | -77.1 | -46.3 | 0 | 0 | 0 | 114.2 | E62 W63 F64 W68 K256 | E62-N66 WeakPolarHBondContact O-CB 3.17Å; E62-N66 PolarHBondContact O-N 3.26Å; E62-N66 PolarHBondContact O-ND2 3.09Å; W63-N66 PolarHBondContact O-N 3.22Å; W63-N66 VanDerWaalsContact O-N 3.09Å; F64-N66 VanDerWaalsContact C-N 3.27Å; F64-N66 PolarHBondContact O-N 3.05Å; N66-W68 VanDerWaalsContact C-N 3.28Å; N66-K256 WeakPolarHBondContact OD1-CD 3.5Å; N66-K256 WeakPolarHBondContact OD1-CE 3.35Å; N66-K256 PolarHBondContact OD1-NZ 2.9Å |
| 67 | D | 82.3 | Confident | 84.1 | Confident | 95 Ų | 95 | 68.2 Ų | 68.2 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -77 | -18.5 | -180 | -61.4 | -23 | 0 | 0 | 0 | 111.6 | W63 F64 R92 R373 | W63-D67 PolarHBondContact O-N 3.28Å; W63-D67 VanDerWaalsContact O-OD2 3.07Å; F64-D67 PolarHBondContact O-N 2.92Å; D67-R92 IonicContact OD2-NH2 3.93Å; D67-R373 IonicContact OD1-CZ 3.03Å; D67-R373 IonicContact OD1-NH2 2.69Å; D67-R373 PolarHBondContact OD1-NH2 2.83Å; D67-R373 IonicContact OD2-NH2 3.1Å; D67-R373 PolarHBondContact OD2-NH2 2.95Å |
| 68 | W | 79.5 | Confident | 83.7 | Confident | 109 Ų | 109 | 76 Ų | 76 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | trans | -98.8 | 115.9 | 176.5 | -148.9 | -51.3 | 0 | 0 | 0 | 110.7 | F64 N66 N70 P71 K75 | F64-W68 PolarHBondContact O-N 3.33Å; N66-W68 VanDerWaalsContact C-N 3.28Å; W68-N70 VanDerWaalsContact CD1-O 3.26Å; W68-N70 PolarHBondContact NE1-O 3.39Å; W68-N70 VanDerWaalsContact NE1-O 3.11Å; W68-P71 HydrophobicContact CB-CB 3.95Å; W68-P71 HydrophobicContact CB-CG 4.33Å; W68-P71 VanDerWaalsContact CD1-N 3.26Å; W68-P71 HydrophobicContact CD2-CB 4.22Å; W68-P71 HydrophobicContact CG-CB 3.74Å; W68-K75 HydrophobicContact CH2-CD 3.69Å; W68-K75 HydrophobicContact CZ2-CD 3.92Å | ||
| 69 | E | 63.8 | Low | 83.3 | Confident | 140 Ų | 140 | 73.8 Ų | 73.8 | 65% | 0.654 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -71.6 | -32.9 | -177.7 | -96.3 | 176.4 | 163.8 | 0 | 0 | 114.1 | K370 | E69-K370 WeakPolarHBondContact OE1-CE 3.3Å; E69-K370 IonicContact OE1-NZ 2.76Å; E69-K370 PolarHBondContact OE1-NZ 3.09Å; E69-K370 IonicContact OE2-NZ 2.74Å; E69-K370 PolarHBondContact OE2-NZ 3.09Å |
| 70 | N | 66.1 | Low | 83.1 | Confident | 141 Ų | 141 | 77.8 Ų | 77.8 | 75% | 0.754 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -140.2 | 79.1 | 173.4 | -69.2 | -50.8 | 0 | 0 | 0 | 110.1 | W68 D72 | W68-N70 VanDerWaalsContact CD1-O 3.26Å; W68-N70 PolarHBondContact NE1-O 3.39Å; W68-N70 VanDerWaalsContact NE1-O 3.11Å; N70-D72 PolarHBondContact O-N 2.73Å |
| 71 | P | 69.6 | Low | 82.9 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | trans | -71.7 | 129.4 | -178.4 | 25.2 | -28.8 | 0 | 0 | 0 | 110.5 | W68 | W68-P71 HydrophobicContact CB-CB 3.95Å; W68-P71 HydrophobicContact CB-CG 4.33Å; W68-P71 VanDerWaalsContact CD1-N 3.26Å; W68-P71 HydrophobicContact CD2-CB 4.22Å; W68-P71 HydrophobicContact CG-CB 3.74Å | ||
| 72 | D | 80.1 | Confident | 82.9 | Confident | 77 Ų | 77 | 81.9 Ų | 81.9 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | trans | -55.1 | 127.8 | 167.8 | -63.1 | -44.4 | 0 | 0 | 0 | 108.4 | N70 E74 K75 L76 | N70-D72 PolarHBondContact O-N 2.73Å; D72-E74 PolarHBondContact O-N 3.21Å; D72-E74 VanDerWaalsContact O-N 3.12Å; D72-K75 HydrophobicContact CB-CB 4.16Å; D72-K75 HydrophobicContact CB-CD 4.02Å; D72-K75 HydrophobicContact CB-CG 4Å; D72-K75 PolarHBondContact O-N 3.48Å; D72-K75 WeakPolarHBondContact OD2-CD 3.14Å; D72-K75 WeakPolarHBondContact OD2-CE 3.37Å; D72-K75 IonicContact OD2-NZ 3.99Å; D72-K75 PolarHBondContact OD2-NZ 3.25Å; D72-L76 PolarHBondContact O-N 2.93Å | ||
| 73 | P | 81.6 | Confident | 82.9 | Confident | 95 Ų | 95 | 80.6 Ų | 80.6 | 62% | 0.617 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.1 | -30.3 | -174.4 | 20.8 | -31.2 | 0 | 0 | 0 | 112 | K77 | P73-K77 WeakPolarHBondContact O-CG 3.18Å; P73-K77 PolarHBondContact O-N 3.35Å |
| 74 | E | 84.1 | Confident | 83 | Confident | 142 Ų | 142 | 87.8 Ų | 87.8 | 66% | 0.664 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.5 | -45.3 | 173.9 | -62.6 | -169.2 | 164.2 | 0 | 0 | 112.5 | D72 L76 K77 W78 | D72-E74 PolarHBondContact O-N 3.21Å; D72-E74 VanDerWaalsContact O-N 3.12Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 3.09Å; E74-K77 WeakPolarHBondContact O-CB 3.42Å; E74-K77 PolarHBondContact O-N 2.87Å; E74-W78 PolarHBondContact O-N 3.28Å |
| 75 | K | 83.3 | Confident | 83.2 | Confident | 94 Ų | 94 | 92.9 Ų | 92.9 | 41% | 0.409 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 175.8 | -70.5 | 179.5 | -176.4 | 153 | 0 | 111 | W68 D72 K77 W78 I79 | W68-K75 HydrophobicContact CH2-CD 3.69Å; W68-K75 HydrophobicContact CZ2-CD 3.92Å; D72-K75 HydrophobicContact CB-CB 4.16Å; D72-K75 HydrophobicContact CB-CD 4.02Å; D72-K75 HydrophobicContact CB-CG 4Å; D72-K75 PolarHBondContact O-N 3.48Å; D72-K75 WeakPolarHBondContact OD2-CD 3.14Å; D72-K75 WeakPolarHBondContact OD2-CE 3.37Å; D72-K75 IonicContact OD2-NZ 3.99Å; D72-K75 PolarHBondContact OD2-NZ 3.25Å; K75-K77 VanDerWaalsContact C-N 3.35Å; K75-K77 PolarHBondContact O-N 3.42Å; K75-W78 PolarHBondContact O-N 3.3Å; K75-I79 VanDerWaalsContact O-CG1 3.28Å; K75-I79 WeakPolarHBondContact O-CG1 3.5Å; K75-I79 PolarHBondContact O-N 2.91Å |
| 76 | L | 84.3 | Confident | 83.3 | Confident | 37 Ų | 37 | 92.3 Ų | 92.3 | 19% | 0.194 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 176.8 | -170.5 | 65.3 | 0 | 0 | 0 | 112.1 | Y61 K65 D72 E74 I79 L80 | Y61-L76 HydrophobicContact CE2-CD1 3.94Å; K65-L76 HydrophobicContact CB-CD1 4.24Å; K65-L76 HydrophobicContact CG-CD1 4.24Å; D72-L76 PolarHBondContact O-N 2.93Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 3.09Å; L76-I79 PolarHBondContact O-N 3.36Å; L76-L80 WeakPolarHBondContact O-CB 3.27Å; L76-L80 PolarHBondContact O-N 2.83Å |
| 77 | K | 87.3 | Confident | 83.5 | Confident | 151 Ų | 151 | 93.1 Ų | 93.1 | 66% | 0.657 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63 | -43.8 | 173.5 | -74.5 | 175.3 | -176.2 | -179.5 | 0 | 111.8 | P73 E74 K75 L80 L81 | P73-K77 WeakPolarHBondContact O-CG 3.18Å; P73-K77 PolarHBondContact O-N 3.35Å; E74-K77 WeakPolarHBondContact O-CB 3.42Å; E74-K77 PolarHBondContact O-N 2.87Å; K75-K77 VanDerWaalsContact C-N 3.35Å; K75-K77 PolarHBondContact O-N 3.42Å; K77-L80 PolarHBondContact O-N 3.34Å; K77-L81 WeakPolarHBondContact O-CB 3.41Å; K77-L81 PolarHBondContact O-N 3.41Å |
| 78 | W | 87.3 | Confident | 83.8 | Confident | 173 Ų | 173 | 88.6 Ų | 88.6 | 66% | 0.655 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.7 | -45.3 | 175.2 | -79.7 | 110.5 | 0 | 0 | 0 | 112.1 | E74 K75 L80 L81 V82 | E74-W78 PolarHBondContact O-N 3.28Å; K75-W78 PolarHBondContact O-N 3.3Å; W78-L80 VanDerWaalsContact C-N 3.33Å; W78-L80 PolarHBondContact O-N 3.33Å; W78-L81 HydrophobicContact CE3-CD2 3.99Å; W78-L81 HydrophobicContact CZ3-CD2 3.91Å; W78-L81 WeakPolarHBondContact O-CB 3.4Å; W78-L81 PolarHBondContact O-N 3.33Å; W78-V82 VanDerWaalsContact O-CG2 3.31Å; W78-V82 WeakPolarHBondContact O-CG2 3.48Å; W78-V82 PolarHBondContact O-N 3.19Å |
| 79 | I | 86.2 | Confident | 84.2 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 15% | 0.154 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 177.1 | -67.4 | 167.7 | 0 | 0 | 0 | 110.4 | Y61 F64 K75 L76 L81 V82 H83 | Y61-I79 HydrophobicContact CD2-CG2 4.05Å; Y61-I79 HydrophobicContact CE2-CG2 4.34Å; F64-I79 HydrophobicContact CB-CG2 4.36Å; F64-I79 HydrophobicContact CD2-CG2 4.38Å; K75-I79 VanDerWaalsContact O-CG1 3.28Å; K75-I79 WeakPolarHBondContact O-CG1 3.5Å; K75-I79 PolarHBondContact O-N 2.91Å; L76-I79 PolarHBondContact O-N 3.36Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.68Å; I79-V82 PolarHBondContact O-N 2.92Å; I79-H83 PolarHBondContact O-N 3.4Å; I79-H83 PolarHBondContact O-ND1 3.24Å |
| 80 | L | 88.6 | Confident | 85.4 | Confident | 85 Ų | 85 | 81.2 Ų | 81.2 | 45% | 0.445 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 175.1 | -179.4 | 65.4 | 0 | 0 | 0 | 111.3 | Y61 L76 K77 W78 V82 H83 F84 | Y61-L80 HydrophobicContact CD2-CB 4.4Å; Y61-L80 HydrophobicContact CD2-CD1 4.2Å; Y61-L80 HydrophobicContact CE1-CD1 4.18Å; Y61-L80 HydrophobicContact CE2-CB 3.69Å; Y61-L80 HydrophobicContact CE2-CD1 3.86Å; Y61-L80 HydrophobicContact CE2-CG 4.37Å; L76-L80 WeakPolarHBondContact O-CB 3.27Å; L76-L80 PolarHBondContact O-N 2.83Å; K77-L80 PolarHBondContact O-N 3.34Å; W78-L80 VanDerWaalsContact C-N 3.33Å; W78-L80 PolarHBondContact O-N 3.33Å; L80-V82 VanDerWaalsContact C-N 3.33Å; L80-V82 PolarHBondContact O-N 3.05Å; L80-H83 PolarHBondContact O-N 2.71Å; L80-F84 WeakPolarHBondContact O-CB 3.27Å; L80-F84 PolarHBondContact O-N 3.44Å |
| 81 | L | 90 | Very high | 86.6 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 40% | 0.398 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 177.7 | -171.9 | 70.1 | 0 | 0 | 0 | 111.4 | K77 W78 I79 H83 F84 F85 | K77-L81 WeakPolarHBondContact O-CB 3.41Å; K77-L81 PolarHBondContact O-N 3.41Å; W78-L81 HydrophobicContact CE3-CD2 3.99Å; W78-L81 HydrophobicContact CZ3-CD2 3.91Å; W78-L81 WeakPolarHBondContact O-CB 3.4Å; W78-L81 PolarHBondContact O-N 3.33Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.68Å; L81-H83 PolarHBondContact O-N 3.37Å; L81-F84 WeakPolarHBondContact O-CB 3.26Å; L81-F84 PolarHBondContact O-N 2.77Å; L81-F85 HydrophobicContact CD1-CD2 4.25Å; L81-F85 HydrophobicContact CD1-CE2 3.65Å; L81-F85 HydrophobicContact CD2-CE2 4.44Å; L81-F85 HydrophobicContact CG-CD2 4.05Å; L81-F85 HydrophobicContact CG-CE2 3.79Å; L81-F85 WeakPolarHBondContact O-CD2 3.36Å; L81-F85 PolarHBondContact O-N 2.79Å |
| 82 | V | 90.6 | Very high | 87.6 | Confident | 40 Ų | 40 | 74.9 Ų | 74.9 | 24% | 0.242 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | W78 I79 L80 F85 H86 C87 G88 I91 | W78-V82 VanDerWaalsContact O-CG2 3.31Å; W78-V82 WeakPolarHBondContact O-CG2 3.48Å; W78-V82 PolarHBondContact O-N 3.19Å; I79-V82 PolarHBondContact O-N 2.92Å; L80-V82 VanDerWaalsContact C-N 3.33Å; L80-V82 PolarHBondContact O-N 3.05Å; V82-F85 PolarHBondContact O-N 3.25Å; V82-H86 PolarHBondContact O-N 3.4Å; V82-C87 HydrophobicContact CG1-CB 3.53Å; V82-C87 PolarHBondContact O-N 2.89Å; V82-G88 PolarHBondContact O-N 3.03Å; V82-I91 HydrophobicContact CB-CD1 3.92Å; V82-I91 HydrophobicContact CG1-CD1 3.46Å; V82-I91 VanDerWaalsContact CG1-CD1 3.46Å; V82-I91 HydrophobicContact CG1-CG1 4.05Å; V82-I91 HydrophobicContact CG2-CD1 4.09Å |
| 83 | H | 90.7 | Very high | 88 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.3 | -36 | 173.9 | -75.1 | 75.1 | 0 | 0 | 0 | 112 | Q57 S60 Y61 F64 I79 L80 L81 F85 H86 | Q57-H83 HydrophobicContact CB-CB 4.48Å; Q57-H83 PolarHBondContact O-CD2 3.25Å; Q57-H83 VanDerWaalsContact O-CD2 3.27Å; Q57-H83 PolarHBondContact OE1-CD2 2.96Å; S60-H83 WeakPolarHBondContact CB-NE2 3.32Å; S60-H83 PolarHBondContact OG-NE2 2.89Å; Y61-H83 PolarHBondContact N-NE2 3.48Å; F64-H83 AromaticContact CD2-CE1 3.46Å; F64-H83 VanDerWaalsContact CD2-CE1 3.46Å; F64-H83 WeakPolarHBondContact CD2-CE1 3.05Å; F64-H83 AromaticContact CD2-NE2 3.62Å; F64-H83 AromaticContact CE2-CE1 3.67Å; F64-H83 AromaticContact CE2-NE2 3.8Å; I79-H83 PolarHBondContact O-N 3.4Å; I79-H83 PolarHBondContact O-ND1 3.24Å; L80-H83 PolarHBondContact O-N 2.71Å; L81-H83 PolarHBondContact O-N 3.37Å; H83-F85 VanDerWaalsContact C-N 3.31Å; H83-F85 PolarHBondContact O-N 3.34Å; H83-H86 WeakPolarHBondContact O-CA 3.29Å; H83-H86 PolarHBondContact O-N 3.46Å |
| 84 | F | 89.6 | Confident | 88.4 | Confident | 153 Ų | 153 | 75.6 Ų | 75.6 | 67% | 0.671 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.2 | -39 | 174.6 | -178.8 | -97.8 | 0 | 0 | 0 | 112 | L80 L81 H86 | L80-F84 WeakPolarHBondContact O-CB 3.27Å; L80-F84 PolarHBondContact O-N 3.44Å; L81-F84 WeakPolarHBondContact O-CB 3.26Å; L81-F84 PolarHBondContact O-N 2.77Å; F84-H86 PolarHBondContact O-CD2 2.69Å; F84-H86 PolarHBondContact O-N 3.45Å |
| 85 | F | 90.7 | Very high | 88.6 | Confident | 135 Ų | 135 | 72 Ų | 72 | 59% | 0.592 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 12.6 | 172 | -71.1 | -65.7 | 0 | 0 | 0 | 114.3 | L81 V82 H83 C87 | L81-F85 HydrophobicContact CD1-CD2 4.25Å; L81-F85 HydrophobicContact CD1-CE2 3.65Å; L81-F85 HydrophobicContact CD2-CE2 4.44Å; L81-F85 HydrophobicContact CG-CD2 4.05Å; L81-F85 HydrophobicContact CG-CE2 3.79Å; L81-F85 WeakPolarHBondContact O-CD2 3.36Å; L81-F85 PolarHBondContact O-N 2.79Å; V82-F85 PolarHBondContact O-N 3.25Å; H83-F85 VanDerWaalsContact C-N 3.31Å; H83-F85 PolarHBondContact O-N 3.34Å; F85-C87 PolarHBondContact O-N 3.17Å; F85-C87 VanDerWaalsContact O-N 3.1Å |
| 86 | H | 88.9 | Confident | 88.9 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 16 | -178.1 | -66.2 | -104.9 | 0 | 0 | 0 | 114.9 | S53 Q57 V82 H83 F84 | S53-H86 WeakPolarHBondContact CB-ND1 3.33Å; S53-H86 PolarHBondContact OG-ND1 3.09Å; Q57-H86 PolarHBondContact NE2-O 2.71Å; V82-H86 PolarHBondContact O-N 3.4Å; H83-H86 WeakPolarHBondContact O-CA 3.29Å; H83-H86 PolarHBondContact O-N 3.46Å; F84-H86 PolarHBondContact O-CD2 2.69Å; F84-H86 PolarHBondContact O-N 3.45Å |
| 87 | C | 88.9 | Confident | 89.2 | Confident | 57 Ų | 57 | 67.5 Ų | 67.5 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | trans | -93.4 | -2.8 | 179 | -69.5 | 0 | 0 | 0 | 0 | 113.5 | V82 F85 I89 F90 I91 | V82-C87 HydrophobicContact CG1-CB 3.53Å; V82-C87 PolarHBondContact O-N 2.89Å; F85-C87 PolarHBondContact O-N 3.17Å; F85-C87 VanDerWaalsContact O-N 3.1Å; C87-I89 VanDerWaalsContact C-N 3.29Å; C87-I89 PolarHBondContact O-N 3.26Å; C87-F90 HydrophobicContact CB-CD2 4.43Å; C87-F90 WeakPolarHBondContact O-CB 3.32Å; C87-F90 PolarHBondContact O-N 3.35Å; C87-F90 VanDerWaalsContact O-N 3.11Å; C87-I91 PolarHBondContact O-N 2.71Å | ||
| 88 | G | 88.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -32.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q57 V82 F90 I91 R92 | Q57-G88 VanDerWaalsContact OE1-CA 3.24Å; V82-G88 PolarHBondContact O-N 3.03Å; G88-F90 VanDerWaalsContact C-N 3.32Å; G88-F90 PolarHBondContact O-N 2.91Å; G88-I91 WeakPolarHBondContact O-CB 3.38Å; G88-I91 PolarHBondContact O-N 3.24Å; G88-R92 PolarHBondContact O-N 3.5Å; G88-R92 VanDerWaalsContact O-N 3.16Å |
| 89 | I | 88.1 | Confident | 89.3 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -36.8 | 175.5 | -165.1 | 61 | 0 | 0 | 0 | 112.3 | C87 I91 R92 Y93 L136 | C87-I89 VanDerWaalsContact C-N 3.29Å; C87-I89 PolarHBondContact O-N 3.26Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 2.93Å; I89-R92 WeakPolarHBondContact O-CB 3.36Å; I89-R92 PolarHBondContact O-N 2.74Å; I89-R92 VanDerWaalsContact O-N 3.11Å; I89-Y93 HydrophobicContact CD1-CD2 4.5Å; I89-Y93 HydrophobicContact CD1-CE2 4.33Å; I89-Y93 HydrophobicContact CG1-CD2 4.04Å; I89-Y93 HydrophobicContact CG1-CE2 3.97Å; I89-Y93 WeakPolarHBondContact O-CD2 3.3Å; I89-Y93 PolarHBondContact O-N 2.92Å; I89-L136 HydrophobicContact CD1-CB 4.4Å; I89-L136 HydrophobicContact CD1-CD1 3.84Å |
| 90 | F | 90.4 | Very high | 89.4 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 176.8 | -63.7 | -68.2 | 0 | 0 | 0 | 111.6 | L16 V20 I23 C87 G88 R92 Y93 W94 | L16-F90 HydrophobicContact CD1-CD1 4.03Å; L16-F90 HydrophobicContact CD1-CE1 4.23Å; V20-F90 HydrophobicContact CG2-CE1 3.82Å; V20-F90 HydrophobicContact CG2-CZ 4.43Å; I23-F90 HydrophobicContact CD1-CZ 4.06Å; C87-F90 HydrophobicContact CB-CD2 4.43Å; C87-F90 WeakPolarHBondContact O-CB 3.32Å; C87-F90 PolarHBondContact O-N 3.35Å; C87-F90 VanDerWaalsContact O-N 3.11Å; G88-F90 VanDerWaalsContact C-N 3.32Å; G88-F90 PolarHBondContact O-N 2.91Å; F90-R92 VanDerWaalsContact C-N 3.35Å; F90-Y93 PolarHBondContact O-N 3.25Å; F90-W94 WeakPolarHBondContact O-CB 3.49Å; F90-W94 PolarHBondContact O-N 3.45Å |
| 91 | I | 89.9 | Confident | 89.3 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 171.2 | -64.2 | -173.4 | 0 | 0 | 0 | 110.4 | F64 V82 C87 G88 I89 W94 F95 | F64-I91 HydrophobicContact CE1-CG2 4.38Å; F64-I91 HydrophobicContact CE2-CG2 4.3Å; F64-I91 HydrophobicContact CZ-CB 4.38Å; F64-I91 HydrophobicContact CZ-CG2 3.71Å; V82-I91 HydrophobicContact CB-CD1 3.92Å; V82-I91 HydrophobicContact CG1-CD1 3.46Å; V82-I91 VanDerWaalsContact CG1-CD1 3.46Å; V82-I91 HydrophobicContact CG1-CG1 4.05Å; V82-I91 HydrophobicContact CG2-CD1 4.09Å; C87-I91 PolarHBondContact O-N 2.71Å; G88-I91 WeakPolarHBondContact O-CB 3.38Å; G88-I91 PolarHBondContact O-N 3.24Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 2.93Å; I91-W94 WeakPolarHBondContact O-CB 3.32Å; I91-W94 PolarHBondContact O-N 3.47Å; I91-F95 HydrophobicContact CG2-CD2 3.69Å; I91-F95 HydrophobicContact CG2-CE2 3.47Å; I91-F95 VanDerWaalsContact CG2-CE2 3.47Å; I91-F95 VanDerWaalsContact O-CD2 3.25Å; I91-F95 WeakPolarHBondContact O-CD2 3.42Å; I91-F95 PolarHBondContact O-N 3.39Å |
| 92 | R | 90.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 175 | -76.9 | -158.8 | 170.2 | -96.6 | -18.5 | 112.2 | S60 F64 D67 G88 I89 F90 W94 F95 A96 D132 V133 | S60-R92 PolarHBondContact O-NE 3.19Å; S60-R92 PolarHBondContact O-NH2 3.41Å; S60-R92 VanDerWaalsContact OG-CD 3.23Å; S60-R92 WeakPolarHBondContact OG-CD 3.13Å; S60-R92 PolarHBondContact OG-NE 2.91Å; F64-R92 HydrophobicContact CD2-CG 4.32Å; F64-R92 HydrophobicContact CE1-CG 4.38Å; F64-R92 HydrophobicContact CE2-CG 3.3Å; F64-R92 HydrophobicContact CZ-CB 4.31Å; F64-R92 HydrophobicContact CZ-CG 3.33Å; D67-R92 IonicContact OD2-NH2 3.93Å; G88-R92 PolarHBondContact O-N 3.5Å; G88-R92 VanDerWaalsContact O-N 3.16Å; I89-R92 WeakPolarHBondContact O-CB 3.36Å; I89-R92 PolarHBondContact O-N 2.74Å; I89-R92 VanDerWaalsContact O-N 3.11Å; F90-R92 VanDerWaalsContact C-N 3.35Å; R92-W94 VanDerWaalsContact C-N 3.32Å; R92-W94 PolarHBondContact O-N 2.89Å; R92-F95 PolarHBondContact O-N 2.9Å; R92-A96 WeakPolarHBondContact O-CB 3.31Å; R92-A96 PolarHBondContact O-N 3.25Å; R92-D132 IonicContact NH1-OD2 2.71Å; R92-D132 PolarHBondContact NH1-OD2 2.91Å; R92-V133 HydrophobicContact CB-CG2 4.26Å |
| 93 | Y | 89.3 | Confident | 88.8 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 175.7 | -88.6 | -79.1 | 0 | 0 | 0 | 112.2 | L12 L16 I89 F90 A96 L97 V133 | L12-Y93 HydrophobicContact CD1-CD1 4.04Å; L12-Y93 HydrophobicContact CD1-CE1 4.03Å; L16-Y93 HydrophobicContact CB-CD1 3.73Å; L16-Y93 HydrophobicContact CB-CE1 3.91Å; L16-Y93 HydrophobicContact CB-CG 4.31Å; L16-Y93 HydrophobicContact CD1-CD1 4.07Å; L16-Y93 HydrophobicContact CD1-CD2 4.01Å; L16-Y93 HydrophobicContact CD1-CG 3.75Å; L16-Y93 HydrophobicContact CG-CD1 4.36Å; L16-Y93 HydrophobicContact CG-CG 4.47Å; I89-Y93 HydrophobicContact CD1-CD2 4.5Å; I89-Y93 HydrophobicContact CD1-CE2 4.33Å; I89-Y93 HydrophobicContact CG1-CD2 4.04Å; I89-Y93 HydrophobicContact CG1-CE2 3.97Å; I89-Y93 WeakPolarHBondContact O-CD2 3.3Å; I89-Y93 PolarHBondContact O-N 2.92Å; F90-Y93 PolarHBondContact O-N 3.25Å; Y93-A96 PolarHBondContact O-N 2.93Å; Y93-L97 WeakPolarHBondContact O-CB 3.48Å; Y93-L97 VanDerWaalsContact O-CG 3.23Å; Y93-L97 WeakPolarHBondContact O-CG 3.39Å; Y93-L97 PolarHBondContact O-N 3.25Å; Y93-V133 HydrophobicContact CD1-CG1 4.34Å; Y93-V133 HydrophobicContact CE1-CG1 3.71Å; Y93-V133 HydrophobicContact CE2-CG1 4.02Å |
| 94 | W | 89.8 | Confident | 88.5 | Confident | 175 Ų | 175 | 54.2 Ų | 54.2 | 66% | 0.663 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59.1 | -48.4 | 175.4 | 176.3 | -98.5 | 0 | 0 | 0 | 111.9 | F90 I91 R92 L97 K98 | F90-W94 WeakPolarHBondContact O-CB 3.49Å; F90-W94 PolarHBondContact O-N 3.45Å; I91-W94 WeakPolarHBondContact O-CB 3.32Å; I91-W94 PolarHBondContact O-N 3.47Å; R92-W94 VanDerWaalsContact C-N 3.32Å; R92-W94 PolarHBondContact O-N 2.89Å; W94-L97 PolarHBondContact O-N 2.88Å; W94-K98 WeakPolarHBondContact O-CB 3.49Å; W94-K98 PolarHBondContact O-N 3.25Å |
| 95 | F | 89 | Confident | 88.1 | Confident | 66 Ų | 66 | 52 Ų | 52 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.4 | -77.9 | -64.6 | 0 | 0 | 0 | 112 | F64 I91 R92 L97 K98 Y99 I129 | F64-F95 AromaticContact CE1-CD2 3.84Å; F64-F95 HydrophobicContact CE1-CD2 3.84Å; F64-F95 AromaticContact CE1-CE2 3.97Å; F64-F95 HydrophobicContact CE1-CE2 3.97Å; F64-F95 HydrophobicContact CZ-CD2 4.08Å; F64-F95 HydrophobicContact CZ-CE2 4.38Å; I91-F95 HydrophobicContact CG2-CD2 3.69Å; I91-F95 HydrophobicContact CG2-CE2 3.47Å; I91-F95 VanDerWaalsContact CG2-CE2 3.47Å; I91-F95 VanDerWaalsContact O-CD2 3.25Å; I91-F95 WeakPolarHBondContact O-CD2 3.42Å; I91-F95 PolarHBondContact O-N 3.39Å; R92-F95 PolarHBondContact O-N 2.9Å; F95-L97 VanDerWaalsContact C-N 3.28Å; F95-L97 PolarHBondContact O-N 2.96Å; F95-K98 PolarHBondContact O-N 3.44Å; F95-Y99 HydrophobicContact CB-CD2 4.3Å; F95-Y99 HydrophobicContact CB-CE2 4.3Å; F95-Y99 HydrophobicContact CD1-CD2 4.48Å; F95-Y99 AromaticContact CD1-CE2 3.77Å; F95-Y99 HydrophobicContact CD1-CE2 3.77Å; F95-Y99 HydrophobicContact CG-CE2 4.46Å; F95-Y99 WeakPolarHBondContact O-CD2 3.19Å; F95-Y99 PolarHBondContact O-N 3.26Å; F95-I129 HydrophobicContact CB-CD1 4.48Å |
| 96 | A | 89.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L12 R92 Y93 G100 I129 V133 | L12-A96 HydrophobicContact CD1-CB 3.96Å; L12-A96 VanDerWaalsContact CD2-C 3.46Å; L12-A96 HydrophobicContact CD2-CB 3.67Å; L12-A96 WeakPolarHBondContact CD2-O 3.38Å; L12-A96 HydrophobicContact CG-CB 4.39Å; R92-A96 WeakPolarHBondContact O-CB 3.31Å; R92-A96 PolarHBondContact O-N 3.25Å; Y93-A96 PolarHBondContact O-N 2.93Å; A96-G100 WeakPolarHBondContact O-CA 3.28Å; A96-G100 PolarHBondContact O-N 3.21Å; A96-I129 HydrophobicContact CB-CG2 3.64Å; A96-V133 HydrophobicContact CB-CG2 4.26Å |
| 97 | L | 90.8 | Very high | 85.8 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.8 | -42.3 | 177.7 | -72.4 | 171.3 | 0 | 0 | 0 | 111.7 | F9 L12 V13 L16 Y93 W94 F95 C101 | F9-L97 HydrophobicContact CD2-CD2 4.44Å; F9-L97 HydrophobicContact CE2-CB 4.45Å; F9-L97 HydrophobicContact CE2-CD2 3.74Å; F9-L97 WeakPolarHBondContact CE2-O 3.38Å; F9-L97 HydrophobicContact CZ-CD2 4.09Å; L12-L97 HydrophobicContact CD2-CD2 3.86Å; L12-L97 HydrophobicContact CD2-CG 4.21Å; L12-L97 HydrophobicContact CG-CD2 3.93Å; L12-L97 HydrophobicContact CG-CG 4.43Å; V13-L97 HydrophobicContact CG2-CD2 3.48Å; V13-L97 VanDerWaalsContact CG2-CD2 3.48Å; L16-L97 HydrophobicContact CD2-CD1 3.82Å; Y93-L97 WeakPolarHBondContact O-CB 3.48Å; Y93-L97 VanDerWaalsContact O-CG 3.23Å; Y93-L97 WeakPolarHBondContact O-CG 3.39Å; Y93-L97 PolarHBondContact O-N 3.25Å; W94-L97 PolarHBondContact O-N 2.88Å; F95-L97 VanDerWaalsContact C-N 3.28Å; F95-L97 PolarHBondContact O-N 2.96Å; L97-C101 WeakPolarHBondContact O-CB 3.34Å; L97-C101 PolarHBondContact O-N 2.88Å |
| 98 | K | 90.1 | Very high | 84 | Confident | 114 Ų | 114 | 57.3 Ų | 57.3 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -54.3 | 178.1 | -177.3 | -177.7 | 177.3 | -176.4 | 0 | 111.2 | W94 F95 Q102 | W94-K98 WeakPolarHBondContact O-CB 3.49Å; W94-K98 PolarHBondContact O-N 3.25Å; F95-K98 PolarHBondContact O-N 3.44Å; K98-Q102 PolarHBondContact O-N 3.24Å; K98-Q102 VanDerWaalsContact O-N 3.14Å |
| 99 | Y | 86.6 | Confident | 82.2 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 18% | 0.18 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.8 | -37 | -179.1 | -67.7 | -65.9 | 0 | 0 | 0 | 112 | F95 Q102 A103 Q125 I129 | F95-Y99 HydrophobicContact CB-CD2 4.3Å; F95-Y99 HydrophobicContact CB-CE2 4.3Å; F95-Y99 HydrophobicContact CD1-CD2 4.48Å; F95-Y99 AromaticContact CD1-CE2 3.77Å; F95-Y99 HydrophobicContact CD1-CE2 3.77Å; F95-Y99 HydrophobicContact CG-CE2 4.46Å; F95-Y99 WeakPolarHBondContact O-CD2 3.19Å; F95-Y99 PolarHBondContact O-N 3.26Å; Y99-Q102 PolarHBondContact O-N 2.99Å; Y99-A103 WeakPolarHBondContact O-CB 3.49Å; Y99-A103 PolarHBondContact O-N 3.06Å; Y99-Q125 HydrophobicContact CD1-CG 4.41Å; Y99-Q125 HydrophobicContact CD2-CG 4.3Å; Y99-Q125 HydrophobicContact CE2-CG 4.4Å; Y99-Q125 HydrophobicContact CG-CG 4.31Å; Y99-I129 HydrophobicContact CD2-CD1 3.48Å; Y99-I129 VanDerWaalsContact CD2-CD1 3.48Å; Y99-I129 HydrophobicContact CE2-CD1 3.9Å; Y99-I129 HydrophobicContact CG-CD1 4.37Å |
| 100 | G | 86.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | F4 A96 A103 A104 | F4-G100 VanDerWaalsContact CE1-CA 3.46Å; F4-G100 WeakPolarHBondContact CE1-O 2.81Å; A96-G100 WeakPolarHBondContact O-CA 3.28Å; A96-G100 PolarHBondContact O-N 3.21Å; G100-A103 PolarHBondContact O-N 3.11Å; G100-A104 WeakPolarHBondContact O-CB 3.4Å; G100-A104 PolarHBondContact O-N 3.38Å |
| 101 | C | 87.3 | Confident | 78.5 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | F9 L97 A103 A104 F105 | F9-C101 HydrophobicContact CD2-CB 4.39Å; F9-C101 HydrophobicContact CE2-CB 3.72Å; F9-C101 HydrophobicContact CZ-CB 4.07Å; L97-C101 WeakPolarHBondContact O-CB 3.34Å; L97-C101 PolarHBondContact O-N 2.88Å; C101-A103 VanDerWaalsContact C-N 3.33Å; C101-A103 PolarHBondContact O-N 3.31Å; C101-A104 PolarHBondContact O-N 2.89Å; C101-F105 WeakPolarHBondContact O-CB 3.25Å; C101-F105 WeakPolarHBondContact O-CD2 3.42Å; C101-F105 PolarHBondContact O-N 3.42Å |
| 102 | Q | 86.1 | Confident | 76.9 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 176.6 | -168.4 | 172.1 | 0.1 | 0 | 0 | 111.5 | K98 Y99 K106 I122 | K98-Q102 PolarHBondContact O-N 3.24Å; K98-Q102 VanDerWaalsContact O-N 3.14Å; Y99-Q102 PolarHBondContact O-N 2.99Å; Q102-K106 HydrophobicContact CG-CB 4.12Å; Q102-K106 HydrophobicContact CG-CD 3.76Å; Q102-K106 WeakPolarHBondContact O-CA 3.19Å; Q102-K106 WeakPolarHBondContact O-CB 3.33Å; Q102-K106 PolarHBondContact O-N 3.28Å; Q102-I122 HydrophobicContact CB-CG2 4.07Å; Q102-I122 HydrophobicContact CG-CD1 4.24Å; Q102-I122 HydrophobicContact CG-CG2 3.95Å |
| 103 | A | 84.2 | Confident | 75.4 | Confident | 6 Ų | 6 | 74.4 Ų | 74.4 | 5% | 0.05 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | F4 Y99 G100 C101 I122 A126 | F4-A103 HydrophobicContact CB-CB 4.01Å; F4-A103 HydrophobicContact CD1-CB 4.02Å; F4-A103 HydrophobicContact CG-CB 4.1Å; Y99-A103 WeakPolarHBondContact O-CB 3.49Å; Y99-A103 PolarHBondContact O-N 3.06Å; G100-A103 PolarHBondContact O-N 3.11Å; C101-A103 VanDerWaalsContact C-N 3.33Å; C101-A103 PolarHBondContact O-N 3.31Å; A103-I122 HydrophobicContact CB-CG2 4.42Å; A103-A126 HydrophobicContact CB-CB 4.04Å |
| 104 | A | 83.9 | Confident | 73.9 | Confident | 11 Ų | 11 | 78.5 Ų | 78.5 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -80.9 | -29.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F4 K6 F9 G100 C101 | F4-A104 HydrophobicContact CD1-CB 4.1Å; F4-A104 HydrophobicContact CE1-CB 4.28Å; K6-A104 HydrophobicContact CG-CB 4.36Å; F9-A104 HydrophobicContact CB-CB 4.24Å; G100-A104 WeakPolarHBondContact O-CB 3.4Å; G100-A104 PolarHBondContact O-N 3.38Å; C101-A104 PolarHBondContact O-N 2.89Å |
| 105 | F | 81.4 | Confident | 72.6 | Confident | 105 Ų | 105 | 73.9 Ų | 73.9 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -118.2 | -18.9 | -171.8 | -63 | -80 | 0 | 0 | 0 | 114.6 | K6 F9 C101 | K6-F105 HydrophobicContact CD-CD1 4.47Å; K6-F105 HydrophobicContact CD-CE1 3.93Å; K6-F105 HydrophobicContact CD-CZ 4.5Å; K6-F105 HydrophobicContact CG-CE1 4.08Å; K6-F105 HydrophobicContact CG-CZ 4.25Å; F9-F105 AromaticContact CD1-CE2 3.81Å; F9-F105 HydrophobicContact CD1-CE2 3.81Å; F9-F105 HydrophobicContact CD1-CZ 4.37Å; F9-F105 HydrophobicContact CE1-CE2 4.08Å; F9-F105 HydrophobicContact CG-CE2 4.25Å; C101-F105 WeakPolarHBondContact O-CB 3.25Å; C101-F105 WeakPolarHBondContact O-CD2 3.42Å; C101-F105 PolarHBondContact O-N 3.42Å |
| 106 | K | 71.7 | Confident | 71.3 | Confident | 132 Ų | 132 | 73 Ų | 73 | 57% | 0.574 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -96 | 3.4 | -176 | -144.3 | 175.9 | 179.3 | -176.4 | 0 | 114.3 | Q102 N108 | Q102-K106 HydrophobicContact CG-CB 4.12Å; Q102-K106 HydrophobicContact CG-CD 3.76Å; Q102-K106 WeakPolarHBondContact O-CA 3.19Å; Q102-K106 WeakPolarHBondContact O-CB 3.33Å; Q102-K106 PolarHBondContact O-N 3.28Å; K106-N108 PolarHBondContact O-N 3.27Å; K106-N108 VanDerWaalsContact O-N 3.15Å |
| 107 | Q | 59.7 | Low | 70.2 | Confident | 96 Ų | 96 | 78.2 Ų | 78.2 | 45% | 0.449 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -6.2 | 179.2 | -99.2 | -175.7 | 8.5 | 0 | 0 | 115.4 | T119 | Q107-T119 HydrophobicContact CG-CG2 4.19Š|
| 108 | N | 51.1 | Low | 69.2 | Low | 153 Ų | 153 | 80 Ų | 80 | 82% | 0.818 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 5.3 | -168.8 | -72.6 | -7.9 | 0 | 0 | 0 | 115.5 | K106 | K106-N108 PolarHBondContact O-N 3.27Å; K106-N108 VanDerWaalsContact O-N 3.15Å |
| 109 | S | 49.4 | Very low | 68.4 | Low | 73 Ų | 73 | 77 Ų | 77 | 51% | 0.51 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -110.3 | 121 | 174.8 | 70.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 110 | S | 47.9 | Very low | 67.9 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 52% | 0.517 | 46% | 0.461 | S | S | . | . | trans | 60.7 | 87.9 | 147.7 | 52 | 0 | 0 | 0 | 0 | 122.3 | D112 E115 | S110-D112 VanDerWaalsContact C-N 3.34Å; S110-D112 PolarHBondContact O-N 2.93Å; S110-E115 VanDerWaalsContact O-CD 3.29Å; S110-E115 PolarHBondContact OG-OE2 2.93Å | ||
| 111 | G | 54.1 | Low | 67.6 | Low | 89 Ų | 89 | 85 Ų | 85 | 92% | 0.918 | 49% | 0.488 | S | S | * | . | 59 | -7.3 | 107.3 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 112 | D | 56.8 | Low | 67.4 | Low | 114 Ų | 114 | 83.3 Ų | 83.3 | 61% | 0.61 | 48% | 0.476 | S | S | * | . | trans | -114 | 143.6 | -178.2 | -84.8 | -23.1 | 0 | 0 | 0 | 113.9 | S110 S114 E115 A116 | S110-D112 VanDerWaalsContact C-N 3.34Å; S110-D112 PolarHBondContact O-N 2.93Å; D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 PolarHBondContact O-N 3.35Å; D112-E115 HydrophobicContact CB-CG 4.24Å; D112-E115 WeakPolarHBondContact O-CA 3.25Å; D112-E115 WeakPolarHBondContact O-CB 3.47Å; D112-E115 PolarHBondContact O-N 2.87Å; D112-A116 PolarHBondContact O-N 3.32Å | ||
| 113 | I | 57.3 | Low | 67.3 | Low | 152 Ų | 152 | 81 Ų | 81 | 78% | 0.779 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59 | -35.8 | -176.4 | -60.6 | 173.2 | 0 | 0 | 0 | 111.6 | E115 A116 | I113-E115 VanDerWaalsContact C-N 3.33Å; I113-E115 PolarHBondContact O-N 2.78Å; I113-A116 PolarHBondContact O-N 3.39Å |
| 114 | S | 59 | Low | 67.3 | Low | 98 Ų | 98 | 82.4 Ų | 82.4 | 69% | 0.685 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71 | -25.6 | 175.3 | -172.5 | 0 | 0 | 0 | 0 | 113.3 | D112 C118 | D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 PolarHBondContact O-N 3.35Å; S114-C118 PolarHBondContact O-N 3.07Å |
| 115 | E | 61.6 | Low | 67.3 | Low | 77 Ų | 77 | 84.4 Ų | 84.4 | 36% | 0.36 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -77.8 | -29.5 | 176.1 | -67.5 | -165.3 | -180 | 0 | 0 | 111.5 | S110 D112 I113 T119 | S110-E115 VanDerWaalsContact O-CD 3.29Å; S110-E115 PolarHBondContact OG-OE2 2.93Å; D112-E115 HydrophobicContact CB-CG 4.24Å; D112-E115 WeakPolarHBondContact O-CA 3.25Å; D112-E115 WeakPolarHBondContact O-CB 3.47Å; D112-E115 PolarHBondContact O-N 2.87Å; I113-E115 VanDerWaalsContact C-N 3.33Å; I113-E115 PolarHBondContact O-N 2.78Å; E115-T119 VanDerWaalsContact O-CB 3.27Å; E115-T119 WeakPolarHBondContact O-CB 3.33Å; E115-T119 PolarHBondContact O-N 3.08Å; E115-T119 PolarHBondContact O-OG1 3.33Å |
| 116 | A | 62.9 | Low | 67.6 | Low | 49 Ų | 49 | 79.4 Ų | 79.4 | 41% | 0.405 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D112 I113 T119 N120 | D112-A116 PolarHBondContact O-N 3.32Å; I113-A116 PolarHBondContact O-N 3.39Å; A116-T119 PolarHBondContact O-N 3.49Å; A116-N120 WeakPolarHBondContact O-CB 3.46Å; A116-N120 VanDerWaalsContact O-CG 3.3Å; A116-N120 PolarHBondContact O-N 2.95Å; A116-N120 PolarHBondContact O-ND2 2.92Å; A116-N120 VanDerWaalsContact O-ND2 3.14Å |
| 117 | D | 66.1 | Low | 68.3 | Low | 111 Ų | 111 | 73.3 Ų | 73.3 | 59% | 0.594 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.3 | -40.8 | 177.8 | -72 | -27.6 | 0 | 0 | 0 | 112.1 | T119 N120 F121 | D117-T119 PolarHBondContact O-N 3.3Å; D117-N120 PolarHBondContact O-N 2.79Å; D117-F121 WeakPolarHBondContact O-CB 3.3Å; D117-F121 PolarHBondContact O-N 2.88Å |
| 118 | C | 68.1 | Low | 69.5 | Low | 71 Ų | 71 | 70.3 Ų | 70.3 | 48% | 0.48 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 173.6 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | S114 F121 I122 | S114-C118 PolarHBondContact O-N 3.07Å; C118-F121 WeakPolarHBondContact O-CB 3.25Å; C118-F121 PolarHBondContact O-N 3.43Å; C118-I122 WeakPolarHBondContact O-CD1 3.23Å; C118-I122 WeakPolarHBondContact O-CG1 3.36Å; C118-I122 PolarHBondContact O-N 3.4Å |
| 119 | T | 73.4 | Confident | 71.3 | Confident | 52 Ų | 52 | 64 Ų | 64 | 32% | 0.319 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 177.9 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | Q107 E115 A116 D117 F121 I122 L123 | Q107-T119 HydrophobicContact CG-CG2 4.19Å; E115-T119 VanDerWaalsContact O-CB 3.27Å; E115-T119 WeakPolarHBondContact O-CB 3.33Å; E115-T119 PolarHBondContact O-N 3.08Å; E115-T119 PolarHBondContact O-OG1 3.33Å; A116-T119 PolarHBondContact O-N 3.49Å; D117-T119 PolarHBondContact O-N 3.3Å; T119-F121 VanDerWaalsContact C-N 3.32Å; T119-F121 PolarHBondContact O-N 3.48Å; T119-I122 PolarHBondContact O-N 3Å; T119-L123 VanDerWaalsContact O-CB 3.24Å; T119-L123 WeakPolarHBondContact O-CB 3.32Å; T119-L123 PolarHBondContact O-N 3.1Å |
| 120 | N | 77.7 | Confident | 73.2 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.2 | -75.1 | -35.6 | 0 | 0 | 0 | 112 | A116 D117 K124 | A116-N120 WeakPolarHBondContact O-CB 3.46Å; A116-N120 VanDerWaalsContact O-CG 3.3Å; A116-N120 PolarHBondContact O-N 2.95Å; A116-N120 PolarHBondContact O-ND2 2.92Å; A116-N120 VanDerWaalsContact O-ND2 3.14Å; D117-N120 PolarHBondContact O-N 2.79Å; N120-K124 WeakPolarHBondContact O-CB 3.19Å; N120-K124 PolarHBondContact O-N 3.44Å |
| 121 | F | 80.6 | Confident | 75.1 | Confident | 129 Ų | 129 | 58.1 Ų | 58.1 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.5 | -49.7 | 175 | 179.3 | -94.5 | 0 | 0 | 0 | 112.3 | D117 C118 T119 L123 K124 Q125 | D117-F121 WeakPolarHBondContact O-CB 3.3Å; D117-F121 PolarHBondContact O-N 2.88Å; C118-F121 WeakPolarHBondContact O-CB 3.25Å; C118-F121 PolarHBondContact O-N 3.43Å; T119-F121 VanDerWaalsContact C-N 3.32Å; T119-F121 PolarHBondContact O-N 3.48Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.32Å; F121-K124 PolarHBondContact O-N 3.45Å; F121-Q125 WeakPolarHBondContact O-CB 3.33Å; F121-Q125 PolarHBondContact O-N 2.91Å |
| 122 | I | 82.8 | Confident | 76.9 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 178.6 | -67.1 | 155.5 | 0 | 0 | 0 | 111 | Q102 A103 C118 T119 Q125 A126 | Q102-I122 HydrophobicContact CB-CG2 4.07Å; Q102-I122 HydrophobicContact CG-CD1 4.24Å; Q102-I122 HydrophobicContact CG-CG2 3.95Å; A103-I122 HydrophobicContact CB-CG2 4.42Å; C118-I122 WeakPolarHBondContact O-CD1 3.23Å; C118-I122 WeakPolarHBondContact O-CG1 3.36Å; C118-I122 PolarHBondContact O-N 3.4Å; T119-I122 PolarHBondContact O-N 3Å; I122-Q125 PolarHBondContact O-N 2.89Å; I122-A126 WeakPolarHBondContact O-CB 3.27Å; I122-A126 PolarHBondContact O-N 2.98Å |
| 123 | L | 83.6 | Confident | 78.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 177.1 | 171.7 | 62.7 | 0 | 0 | 0 | 111.3 | M2 F4 T119 F121 Q125 A126 V127 | M2-L123 HydrophobicContact CB-CD2 4.19Å; M2-L123 HydrophobicContact CB-CG 4.43Å; M2-L123 WeakPolarHBondContact O-CD2 3.35Å; F4-L123 HydrophobicContact CB-CD1 3.43Å; F4-L123 VanDerWaalsContact CB-CD1 3.43Å; T119-L123 VanDerWaalsContact O-CB 3.24Å; T119-L123 WeakPolarHBondContact O-CB 3.32Å; T119-L123 PolarHBondContact O-N 3.1Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.32Å; L123-Q125 VanDerWaalsContact C-N 3.34Å; L123-Q125 PolarHBondContact O-N 2.75Å; L123-A126 PolarHBondContact O-N 3.44Å; L123-V127 HydrophobicContact CD1-CG2 4.37Å; L123-V127 WeakPolarHBondContact O-CG2 3.23Å; L123-V127 PolarHBondContact O-N 2.89Å |
| 124 | K | 83.6 | Confident | 80.2 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 176.7 | -173.5 | 177.1 | -172.9 | 176.4 | 0 | 111.1 | N120 F121 A126 V127 D128 V369 K370 | N120-K124 WeakPolarHBondContact O-CB 3.19Å; N120-K124 PolarHBondContact O-N 3.44Å; F121-K124 PolarHBondContact O-N 3.45Å; K124-A126 PolarHBondContact O-N 3.19Å; K124-V127 PolarHBondContact O-N 3.3Å; K124-D128 WeakPolarHBondContact O-CB 3.32Å; K124-D128 PolarHBondContact O-N 2.86Å; K124-V369 HydrophobicContact CD-CG1 4.14Å; K124-K370 PolarHBondContact NZ-O 2.76Å |
| 125 | Q | 85.6 | Confident | 81.8 | Confident | 53 Ų | 53 | 37.4 Ų | 37.4 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 178.4 | -174 | 168.6 | 33.3 | 0 | 0 | 112.4 | Y99 F121 I122 L123 V127 D128 I129 | Y99-Q125 HydrophobicContact CD1-CG 4.41Å; Y99-Q125 HydrophobicContact CD2-CG 4.3Å; Y99-Q125 HydrophobicContact CE2-CG 4.4Å; Y99-Q125 HydrophobicContact CG-CG 4.31Å; F121-Q125 WeakPolarHBondContact O-CB 3.33Å; F121-Q125 PolarHBondContact O-N 2.91Å; I122-Q125 PolarHBondContact O-N 2.89Å; L123-Q125 VanDerWaalsContact C-N 3.34Å; L123-Q125 PolarHBondContact O-N 2.75Å; Q125-V127 PolarHBondContact O-N 2.99Å; Q125-D128 PolarHBondContact O-N 3.4Å; Q125-I129 HydrophobicContact CG-CD1 3.75Å; Q125-I129 HydrophobicContact CG-CG1 4.44Å; Q125-I129 WeakPolarHBondContact O-CB 3.39Å; Q125-I129 VanDerWaalsContact O-CG1 3.25Å; Q125-I129 WeakPolarHBondContact O-CG1 3.24Å; Q125-I129 PolarHBondContact O-N 2.87Å |
| 126 | A | 86.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F4 A103 I122 L123 K124 M130 | F4-A126 HydrophobicContact CD2-CB 4Å; F4-A126 HydrophobicContact CE2-CB 4.2Å; F4-A126 HydrophobicContact CG-CB 4.44Å; A103-A126 HydrophobicContact CB-CB 4.04Å; I122-A126 WeakPolarHBondContact O-CB 3.27Å; I122-A126 PolarHBondContact O-N 2.98Å; L123-A126 PolarHBondContact O-N 3.44Å; K124-A126 PolarHBondContact O-N 3.19Å; A126-M130 VanDerWaalsContact O-CB 3.23Å; A126-M130 WeakPolarHBondContact O-CB 3.3Å; A126-M130 PolarHBondContact O-N 3.38Å |
| 127 | V | 86.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 177.8 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | F4 L123 K124 Q125 M130 A131 K190 | F4-V127 HydrophobicContact CD2-CG2 4.26Å; L123-V127 HydrophobicContact CD1-CG2 4.37Å; L123-V127 WeakPolarHBondContact O-CG2 3.23Å; L123-V127 PolarHBondContact O-N 2.89Å; K124-V127 PolarHBondContact O-N 3.3Å; Q125-V127 PolarHBondContact O-N 2.99Å; V127-M130 WeakPolarHBondContact O-CB 3.33Å; V127-M130 PolarHBondContact O-N 3.42Å; V127-A131 WeakPolarHBondContact O-CB 3.32Å; V127-A131 PolarHBondContact O-N 3.24Å; V127-K190 HydrophobicContact CG1-CB 3.85Å |
| 128 | D | 86.3 | Confident | 86.2 | Confident | 33 Ų | 33 | 28.5 Ų | 28.5 | 18% | 0.176 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | 179.1 | -75.2 | -21.2 | 0 | 0 | 0 | 111.4 | K124 Q125 M130 A131 D132 | K124-D128 WeakPolarHBondContact O-CB 3.32Å; K124-D128 PolarHBondContact O-N 2.86Å; Q125-D128 PolarHBondContact O-N 3.4Å; D128-M130 VanDerWaalsContact C-N 3.35Å; D128-M130 PolarHBondContact O-N 2.86Å; D128-A131 PolarHBondContact O-N 3.46Å; D128-D132 PolarHBondContact O-N 3.48Å |
| 129 | I | 87.2 | Confident | 87.5 | Confident | 20 Ų | 20 | 25.1 Ų | 25.1 | 10% | 0.103 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.2 | -65.5 | 169 | 0 | 0 | 0 | 111 | F95 A96 Y99 Q125 A131 D132 V133 | F95-I129 HydrophobicContact CB-CD1 4.48Å; A96-I129 HydrophobicContact CB-CG2 3.64Å; Y99-I129 HydrophobicContact CD2-CD1 3.48Å; Y99-I129 VanDerWaalsContact CD2-CD1 3.48Å; Y99-I129 HydrophobicContact CE2-CD1 3.9Å; Y99-I129 HydrophobicContact CG-CD1 4.37Å; Q125-I129 HydrophobicContact CG-CD1 3.75Å; Q125-I129 HydrophobicContact CG-CG1 4.44Å; Q125-I129 WeakPolarHBondContact O-CB 3.39Å; Q125-I129 VanDerWaalsContact O-CG1 3.25Å; Q125-I129 WeakPolarHBondContact O-CG1 3.24Å; Q125-I129 PolarHBondContact O-N 2.87Å; I129-A131 VanDerWaalsContact C-N 3.32Å; I129-A131 PolarHBondContact O-N 2.99Å; I129-D132 WeakPolarHBondContact O-CB 3.26Å; I129-D132 PolarHBondContact O-N 3.28Å; I129-V133 HydrophobicContact CG2-CG2 4.48Å; I129-V133 WeakPolarHBondContact O-CG2 3.4Å; I129-V133 PolarHBondContact O-N 2.93Å |
| 130 | M | 89.3 | Confident | 88.5 | Confident | 22 Ų | 22 | 23.6 Ų | 23.6 | 11% | 0.108 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 174.6 | -174.2 | 96 | 178.9 | 0 | 0 | 111.3 | F4 L12 A126 V127 D128 V133 N134 | F4-M130 HydrophobicContact CE2-SD 4.13Å; F4-M130 HydrophobicContact CZ-SD 4.42Å; L12-M130 HydrophobicContact CB-CE 4.26Å; L12-M130 HydrophobicContact CB-SD 4.08Å; L12-M130 HydrophobicContact CD1-SD 3.99Å; L12-M130 HydrophobicContact CD2-SD 4.35Å; L12-M130 HydrophobicContact CG-SD 4.37Å; A126-M130 VanDerWaalsContact O-CB 3.23Å; A126-M130 WeakPolarHBondContact O-CB 3.3Å; A126-M130 PolarHBondContact O-N 3.38Å; V127-M130 WeakPolarHBondContact O-CB 3.33Å; V127-M130 PolarHBondContact O-N 3.42Å; D128-M130 VanDerWaalsContact C-N 3.35Å; D128-M130 PolarHBondContact O-N 2.86Å; M130-V133 PolarHBondContact O-N 3.33Å; M130-N134 WeakPolarHBondContact O-CB 3.38Å; M130-N134 PolarHBondContact O-N 2.63Å; M130-N134 PolarHBondContact O-ND2 2.86Å |
| 131 | A | 89 | Confident | 89.4 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V127 D128 I129 N134 M135 F374 | V127-A131 WeakPolarHBondContact O-CB 3.32Å; V127-A131 PolarHBondContact O-N 3.24Å; D128-A131 PolarHBondContact O-N 3.46Å; I129-A131 VanDerWaalsContact C-N 3.32Å; I129-A131 PolarHBondContact O-N 2.99Å; A131-N134 PolarHBondContact O-N 2.76Å; A131-M135 WeakPolarHBondContact O-CB 3.41Å; A131-M135 PolarHBondContact O-N 3.1Å; A131-F374 HydrophobicContact CB-CD2 3.76Å; A131-F374 HydrophobicContact CB-CE2 3.48Å; A131-F374 VanDerWaalsContact CB-CE2 3.48Å; A131-F374 HydrophobicContact CB-CZ 4.31Å |
| 132 | D | 91.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 13.9 Ų | 13.9 | 4% | 0.037 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 173.4 | -79.9 | -0.9 | 0 | 0 | 0 | 112.3 | W63 R92 D128 I129 N134 M135 L136 R373 F374 | W63-D132 HydrophobicContact CE3-CB 3.9Å; W63-D132 HydrophobicContact CZ3-CB 3.76Å; W63-D132 WeakPolarHBondContact CZ3-O 3.31Å; R92-D132 IonicContact NH1-OD2 2.71Å; R92-D132 PolarHBondContact NH1-OD2 2.91Å; D128-D132 PolarHBondContact O-N 3.48Å; I129-D132 WeakPolarHBondContact O-CB 3.26Å; I129-D132 PolarHBondContact O-N 3.28Å; D132-N134 VanDerWaalsContact C-N 3.31Å; D132-N134 PolarHBondContact O-N 3.18Å; D132-M135 WeakPolarHBondContact O-CB 3.24Å; D132-M135 PolarHBondContact O-N 2.88Å; D132-M135 VanDerWaalsContact O-N 3.16Å; D132-L136 WeakPolarHBondContact O-CG 3.46Å; D132-L136 PolarHBondContact O-N 3.46Å; D132-R373 IonicContact OD1-CZ 2.78Å; D132-R373 IonicContact OD1-NH1 2.6Å; D132-R373 PolarHBondContact OD1-NH1 3.2Å; D132-R373 IonicContact OD2-CZ 3.9Å; D132-R373 IonicContact OD2-NH1 3.95Å; D132-R373 PolarHBondContact OD2-NH1 3.31Å; D132-R373 IonicContact OD2-NH2 2.59Å; D132-R373 PolarHBondContact OD2-NH2 3.32Å; D132-F374 WeakPolarHBondContact OD1-CE2 3.29Å |
| 133 | V | 92.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.012 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 178.8 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | R92 Y93 A96 I129 M130 M135 L136 K137 | R92-V133 HydrophobicContact CB-CG2 4.26Å; Y93-V133 HydrophobicContact CD1-CG1 4.34Å; Y93-V133 HydrophobicContact CE1-CG1 3.71Å; Y93-V133 HydrophobicContact CE2-CG1 4.02Å; A96-V133 HydrophobicContact CB-CG2 4.26Å; I129-V133 HydrophobicContact CG2-CG2 4.48Å; I129-V133 WeakPolarHBondContact O-CG2 3.4Å; I129-V133 PolarHBondContact O-N 2.93Å; M130-V133 PolarHBondContact O-N 3.33Å; V133-M135 VanDerWaalsContact C-N 3.32Å; V133-M135 PolarHBondContact O-N 2.95Å; V133-L136 PolarHBondContact O-N 3.44Å; V133-K137 WeakPolarHBondContact O-CB 3.4Å; V133-K137 PolarHBondContact O-N 3.48Å |
| 134 | N | 92.1 | Very high | 91.4 | Very high | 10 Ų | 10 | 13.3 Ų | 13.3 | 5% | 0.053 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.9 | -28.5 | 178.9 | -74.9 | -41.1 | 0 | 0 | 0 | 113.1 | M130 A131 D132 K137 V138 S187 | M130-N134 WeakPolarHBondContact O-CB 3.38Å; M130-N134 PolarHBondContact O-N 2.63Å; M130-N134 PolarHBondContact O-ND2 2.86Å; A131-N134 PolarHBondContact O-N 2.76Å; D132-N134 VanDerWaalsContact C-N 3.31Å; D132-N134 PolarHBondContact O-N 3.18Å; N134-K137 WeakPolarHBondContact O-CB 3.38Å; N134-K137 PolarHBondContact O-N 2.98Å; N134-V138 WeakPolarHBondContact O-CG2 3.26Å; N134-V138 PolarHBondContact O-N 3.48Å; N134-S187 PolarHBondContact ND2-OG 2.85Å |
| 135 | M | 92.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.5 | -45.8 | 170.6 | -173.1 | 70.7 | -172.3 | 0 | 0 | 111.7 | W63 A131 D132 V133 K137 V138 F139 Y184 Y264 F277 F374 | W63-M135 HydrophobicContact CH2-CB 3.98Å; W63-M135 HydrophobicContact CH2-CG 3.82Å; W63-M135 HydrophobicContact CZ2-CG 4.44Å; A131-M135 WeakPolarHBondContact O-CB 3.41Å; A131-M135 PolarHBondContact O-N 3.1Å; D132-M135 WeakPolarHBondContact O-CB 3.24Å; D132-M135 PolarHBondContact O-N 2.88Å; D132-M135 VanDerWaalsContact O-N 3.16Å; V133-M135 VanDerWaalsContact C-N 3.32Å; V133-M135 PolarHBondContact O-N 2.95Å; M135-K137 VanDerWaalsContact C-N 3.29Å; M135-K137 PolarHBondContact O-N 2.8Å; M135-V138 WeakPolarHBondContact O-CB 3.47Å; M135-V138 PolarHBondContact O-N 2.88Å; M135-V138 VanDerWaalsContact O-N 3.17Å; M135-F139 HydrophobicContact CE-CD1 4.29Å; M135-F139 HydrophobicContact CE-CE1 3.29Å; M135-F139 HydrophobicContact CE-CE2 4.38Å; M135-F139 HydrophobicContact CE-CZ 3.34Å; M135-F139 HydrophobicContact CG-CE2 4.38Å; M135-F139 HydrophobicContact CG-CZ 4.18Å; M135-F139 PolarHBondContact O-N 2.47Å; M135-Y184 HydrophobicContact CB-CD2 4.35Å; M135-Y184 HydrophobicContact CB-CE2 4.26Å; M135-Y184 HydrophobicContact CG-CE2 4.4Å; M135-Y184 HydrophobicContact SD-CD2 3.91Å; M135-Y184 HydrophobicContact SD-CE2 3.22Å; M135-Y184 WeakPolarHBondContact SD-CE2 3.36Å; M135-Y264 HydrophobicContact CE-CE2 3.8Å; M135-F277 HydrophobicContact CE-CE1 3.83Å; M135-F277 HydrophobicContact CE-CE2 4.42Å; M135-F277 HydrophobicContact CE-CZ 3.4Å; M135-F277 HydrophobicContact SD-CE2 4.45Å; M135-F277 HydrophobicContact SD-CZ 3.72Å; M135-F374 HydrophobicContact CB-CZ 3.96Å; M135-F374 HydrophobicContact CG-CE1 4.45Å; M135-F374 HydrophobicContact CG-CZ 4.23Å; M135-F374 HydrophobicContact SD-CE1 4.28Å |
| 136 | L | 94 | Very high | 92.3 | Very high | 4 Ų | 4 | 10 Ų | 10 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.5 | -37.3 | 175.2 | -65.5 | 171.5 | 0 | 0 | 0 | 111.6 | F59 W63 I89 D132 V133 V138 F139 K140 | F59-L136 HydrophobicContact CB-CD2 3.69Å; W63-L136 HydrophobicContact CE3-CD1 4.31Å; W63-L136 HydrophobicContact CE3-CD2 4.39Å; W63-L136 HydrophobicContact CE3-CG 4.34Å; W63-L136 HydrophobicContact CH2-CD2 3.63Å; W63-L136 HydrophobicContact CH2-CG 3.8Å; W63-L136 HydrophobicContact CZ2-CD2 4.37Å; W63-L136 HydrophobicContact CZ3-CD1 3.86Å; W63-L136 HydrophobicContact CZ3-CD2 3.68Å; W63-L136 HydrophobicContact CZ3-CG 3.47Å; W63-L136 VanDerWaalsContact CZ3-CG 3.47Å; I89-L136 HydrophobicContact CD1-CB 4.4Å; I89-L136 HydrophobicContact CD1-CD1 3.84Å; D132-L136 WeakPolarHBondContact O-CG 3.46Å; D132-L136 PolarHBondContact O-N 3.46Å; V133-L136 PolarHBondContact O-N 3.44Å; L136-V138 VanDerWaalsContact C-N 3.32Å; L136-V138 PolarHBondContact O-N 2.94Å; L136-F139 HydrophobicContact CD2-CD2 4.15Å; L136-F139 WeakPolarHBondContact O-CB 3.01Å; L136-F139 PolarHBondContact O-N 2.87Å; L136-K140 PolarHBondContact O-N 3.17Å |
| 137 | K | 94 | Very high | 92.7 | Very high | 45 Ų | 45 | 11 Ų | 11 | 20% | 0.196 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.8 | -41.4 | 173.2 | -171 | -173.4 | 174.7 | -179.9 | 0 | 111.5 | V133 N134 M135 K140 T141 S180 D183 | V133-K137 WeakPolarHBondContact O-CB 3.4Å; V133-K137 PolarHBondContact O-N 3.48Å; N134-K137 WeakPolarHBondContact O-CB 3.38Å; N134-K137 PolarHBondContact O-N 2.98Å; M135-K137 VanDerWaalsContact C-N 3.29Å; M135-K137 PolarHBondContact O-N 2.8Å; K137-K140 PolarHBondContact O-N 2.91Å; K137-T141 WeakPolarHBondContact O-CB 3.25Å; K137-T141 PolarHBondContact O-N 3.37Å; K137-T141 PolarHBondContact O-OG1 3.26Å; K137-S180 WeakPolarHBondContact CG-OG 3.1Å; K137-D183 IonicContact NZ-OD2 2.78Å; K137-D183 PolarHBondContact NZ-OD2 2.73Å |
| 138 | V | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 173.5 | 166.1 | 0 | 0 | 0 | 0 | 111.3 | N134 M135 L136 K140 T141 F142 M181 Y184 I271 F277 | N134-V138 WeakPolarHBondContact O-CG2 3.26Å; N134-V138 PolarHBondContact O-N 3.48Å; M135-V138 WeakPolarHBondContact O-CB 3.47Å; M135-V138 PolarHBondContact O-N 2.88Å; M135-V138 VanDerWaalsContact O-N 3.17Å; L136-V138 VanDerWaalsContact C-N 3.32Å; L136-V138 PolarHBondContact O-N 2.94Å; V138-K140 PolarHBondContact O-N 2.89Å; V138-T141 WeakPolarHBondContact O-CB 3.33Å; V138-T141 PolarHBondContact O-N 3.34Å; V138-F142 HydrophobicContact CG1-CD2 3.88Å; V138-F142 HydrophobicContact CG1-CE2 3.97Å; V138-F142 VanDerWaalsContact O-CD2 3.31Å; V138-F142 WeakPolarHBondContact O-CD2 3.25Å; V138-F142 PolarHBondContact O-N 2.67Å; V138-F142 VanDerWaalsContact O-N 3.14Å; V138-M181 HydrophobicContact CG1-SD 4.21Å; V138-M181 HydrophobicContact CG2-SD 4.17Å; V138-Y184 HydrophobicContact CG2-CD1 4.49Å; V138-Y184 HydrophobicContact CG2-CD2 4.48Å; V138-Y184 HydrophobicContact CG2-CG 3.91Å; V138-I271 HydrophobicContact CG1-CD1 4.01Å; V138-F277 HydrophobicContact CG1-CD2 4.48Å; V138-F277 HydrophobicContact CG1-CE2 4.05Å |
| 139 | F | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.5 | -49.6 | 175.2 | -66.4 | -18.5 | 0 | 0 | 0 | 112 | T56 F59 W63 M135 L136 T141 F142 L143 Y264 V267 I271 | T56-F139 HydrophobicContact CG2-CB 4.11Å; F59-F139 HydrophobicContact CB-CE2 4.43Å; F59-F139 HydrophobicContact CD1-CE2 4.27Å; F59-F139 AromaticContact CD2-CD2 3.72Å; F59-F139 HydrophobicContact CD2-CD2 3.72Å; F59-F139 AromaticContact CD2-CE2 3.5Å; F59-F139 HydrophobicContact CD2-CE2 3.5Å; F59-F139 VanDerWaalsContact CD2-CE2 3.5Å; F59-F139 HydrophobicContact CE1-CE2 4.5Å; F59-F139 HydrophobicContact CE2-CD2 4.15Å; F59-F139 AromaticContact CE2-CE2 3.75Å; F59-F139 HydrophobicContact CE2-CE2 3.75Å; F59-F139 HydrophobicContact CE2-CZ 4.38Å; F59-F139 HydrophobicContact CG-CD2 4.29Å; F59-F139 AromaticContact CG-CE2 3.81Å; F59-F139 HydrophobicContact CG-CE2 3.81Å; F59-F139 HydrophobicContact CZ-CE2 4.27Å; W63-F139 HydrophobicContact CH2-CE2 4.46Å; W63-F139 HydrophobicContact CZ2-CE2 4.33Å; M135-F139 HydrophobicContact CE-CD1 4.29Å; M135-F139 HydrophobicContact CE-CE1 3.29Å; M135-F139 HydrophobicContact CE-CE2 4.38Å; M135-F139 HydrophobicContact CE-CZ 3.34Å; M135-F139 HydrophobicContact CG-CE2 4.38Å; M135-F139 HydrophobicContact CG-CZ 4.18Å; M135-F139 PolarHBondContact O-N 2.47Å; L136-F139 HydrophobicContact CD2-CD2 4.15Å; L136-F139 WeakPolarHBondContact O-CB 3.01Å; L136-F139 PolarHBondContact O-N 2.87Å; F139-T141 VanDerWaalsContact C-N 3.33Å; F139-T141 PolarHBondContact O-N 3.08Å; F139-F142 PolarHBondContact O-N 3.45Å; F139-L143 HydrophobicContact CB-CD1 4.5Å; F139-L143 VanDerWaalsContact O-CB 3.3Å; F139-L143 WeakPolarHBondContact O-CB 3.38Å; F139-L143 VanDerWaalsContact O-CG 3.24Å; F139-L143 WeakPolarHBondContact O-CG 3.28Å; F139-L143 PolarHBondContact O-N 2.86Å; F139-Y264 AromaticContact CZ-CD2 3.91Å; F139-Y264 HydrophobicContact CZ-CD2 3.91Å; F139-Y264 HydrophobicContact CZ-CE2 4.04Å; F139-V267 HydrophobicContact CB-CG1 4.35Å; F139-V267 HydrophobicContact CD1-CG1 3.44Å; F139-V267 VanDerWaalsContact CD1-CG1 3.44Å; F139-V267 HydrophobicContact CE1-CG1 3.72Å; F139-V267 HydrophobicContact CG-CG1 3.92Å; F139-V267 HydrophobicContact CZ-CG1 4.45Å; F139-I271 HydrophobicContact CD1-CD1 3.88Å; F139-I271 HydrophobicContact CE1-CD1 4.08Å |
| 140 | K | 95.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 10.4 Ų | 10.4 | 9% | 0.087 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -54.7 | -51.1 | 174.9 | 176.9 | -177.2 | -173.2 | -63.1 | 0 | 111.2 | D22 S52 T56 L136 K137 V138 F142 L143 E144 | D22-K140 IonicContact OD1-NZ 3.51Å; D22-K140 PolarHBondContact OD1-NZ 3.22Å; D22-K140 VanDerWaalsContact OD1-NZ 3.1Å; D22-K140 VanDerWaalsContact OD2-CE 3.26Å; D22-K140 WeakPolarHBondContact OD2-CE 3.46Å; D22-K140 IonicContact OD2-NZ 3.98Å; D22-K140 PolarHBondContact OD2-NZ 2.89Å; S52-K140 WeakPolarHBondContact OG-CA 3.34Å; T56-K140 HydrophobicContact CG2-CB 4.27Å; L136-K140 PolarHBondContact O-N 3.17Å; K137-K140 PolarHBondContact O-N 2.91Å; V138-K140 PolarHBondContact O-N 2.89Å; K140-F142 VanDerWaalsContact C-N 3.3Å; K140-F142 PolarHBondContact O-N 3.46Å; K140-L143 PolarHBondContact O-N 3.42Å; K140-E144 WeakPolarHBondContact CE-OE1 3.34Å; K140-E144 HydrophobicContact CG-CB 4.45Å; K140-E144 IonicContact NZ-OE1 2.74Å; K140-E144 PolarHBondContact NZ-OE1 2.86Å; K140-E144 IonicContact NZ-OE2 3.32Å; K140-E144 VanDerWaalsContact O-CB 3.27Å; K140-E144 WeakPolarHBondContact O-CB 3.45Å; K140-E144 PolarHBondContact O-N 3.39Å |
| 141 | T | 95.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 9.9 Ų | 9.9 | 6% | 0.061 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -53.8 | -45.7 | -176.5 | -62.6 | 0 | 0 | 0 | 0 | 112 | K137 V138 F139 T145 T146 I177 S180 | K137-T141 WeakPolarHBondContact O-CB 3.25Å; K137-T141 PolarHBondContact O-N 3.37Å; K137-T141 PolarHBondContact O-OG1 3.26Å; V138-T141 WeakPolarHBondContact O-CB 3.33Å; V138-T141 PolarHBondContact O-N 3.34Å; F139-T141 VanDerWaalsContact C-N 3.33Å; F139-T141 PolarHBondContact O-N 3.08Å; T141-T145 CarbonylContact O-C 3.58Å; T141-T145 WeakPolarHBondContact O-CA 3.31Å; T141-T145 VanDerWaalsContact O-CB 3.31Å; T141-T145 WeakPolarHBondContact O-CB 3.17Å; T141-T145 PolarHBondContact O-N 3.3Å; T141-T145 VanDerWaalsContact O-N 3.15Å; T141-T146 PolarHBondContact O-N 2.94Å; T141-T146 PolarHBondContact O-OG1 3.3Å; T141-I177 HydrophobicContact CG2-CB 3.87Å; T141-I177 HydrophobicContact CG2-CG1 3.63Å; T141-I177 HydrophobicContact CG2-CG2 3.82Å; T141-S180 PolarHBondContact OG1-OG 2.97Å |
| 142 | F | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -87.2 | -22.2 | -177.2 | -70.6 | -72.9 | 0 | 0 | 0 | 114.9 | V138 F139 K140 P147 I177 M181 I271 F274 T275 | V138-F142 HydrophobicContact CG1-CD2 3.88Å; V138-F142 HydrophobicContact CG1-CE2 3.97Å; V138-F142 VanDerWaalsContact O-CD2 3.31Å; V138-F142 WeakPolarHBondContact O-CD2 3.25Å; V138-F142 PolarHBondContact O-N 2.67Å; V138-F142 VanDerWaalsContact O-N 3.14Å; F139-F142 PolarHBondContact O-N 3.45Å; K140-F142 VanDerWaalsContact C-N 3.3Å; K140-F142 PolarHBondContact O-N 3.46Å; F142-P147 WeakPolarHBondContact O-CD 3.3Å; F142-I177 HydrophobicContact CE1-CG2 4.03Å; F142-I177 HydrophobicContact CZ-CG2 3.99Å; F142-M181 HydrophobicContact CE2-CG 4.1Å; F142-M181 HydrophobicContact CE2-SD 3.62Å; F142-M181 HydrophobicContact CZ-CG 4.03Å; F142-M181 HydrophobicContact CZ-SD 4Å; F142-I271 HydrophobicContact CB-CG1 3.83Å; F142-I271 HydrophobicContact CD2-CB 4.34Å; F142-I271 HydrophobicContact CD2-CD1 4.45Å; F142-I271 HydrophobicContact CD2-CG1 3.79Å; F142-I271 HydrophobicContact CD2-CG2 3.84Å; F142-I271 HydrophobicContact CE2-CG2 3.94Å; F142-I271 HydrophobicContact CG-CB 4.41Å; F142-I271 HydrophobicContact CG-CG1 3.94Å; F142-I271 HydrophobicContact CG-CG2 4.23Å; F142-I271 HydrophobicContact CZ-CG2 4.4Å; F142-F274 HydrophobicContact CD1-CB 3.79Å; F142-F274 AromaticContact CD1-CD2 3.66Å; F142-F274 HydrophobicContact CD1-CD2 3.66Å; F142-F274 HydrophobicContact CD1-CG 4.06Å; F142-F274 HydrophobicContact CE1-CB 3.66Å; F142-F274 HydrophobicContact CE1-CD2 4.41Å; F142-F274 HydrophobicContact CE1-CG 4.38Å; F142-T275 HydrophobicContact CE1-CG2 3.99Å; F142-T275 HydrophobicContact CE2-CG2 4.08Å; F142-T275 HydrophobicContact CZ-CG2 3.42Å; F142-T275 VanDerWaalsContact CZ-CG2 3.42Å |
| 143 | L | 96.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 12.5 Ų | 12.5 | 5% | 0.047 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -87.6 | -23.3 | 176.9 | -65.6 | 174.8 | 0 | 0 | 0 | 113 | V55 F139 K140 V267 I270 | V55-L143 HydrophobicContact CB-CD1 3.83Å; V55-L143 HydrophobicContact CG1-CD1 3.66Å; V55-L143 HydrophobicContact CG2-CD1 4.1Å; F139-L143 HydrophobicContact CB-CD1 4.5Å; F139-L143 VanDerWaalsContact O-CB 3.3Å; F139-L143 WeakPolarHBondContact O-CB 3.38Å; F139-L143 VanDerWaalsContact O-CG 3.24Å; F139-L143 WeakPolarHBondContact O-CG 3.28Å; F139-L143 PolarHBondContact O-N 2.86Å; K140-L143 PolarHBondContact O-N 3.42Å; L143-V267 HydrophobicContact CD1-CG1 4.11Å; L143-V267 HydrophobicContact CD1-CG2 4.23Å; L143-V267 HydrophobicContact CG-CG1 4.45Å; L143-I270 HydrophobicContact CD2-CB 4.45Å; L143-I270 HydrophobicContact CD2-CD1 3.6Å; L143-I270 HydrophobicContact CD2-CG2 4.16Å |
| 144 | E | 95.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -121.7 | -65.7 | -175 | -179 | -178.4 | 136 | 0 | 0 | 112.3 | D26 R49 S52 K140 T146 P147 Q148 | D26-E144 VanDerWaalsContact OD2-OE1 3.08Å; R49-E144 HydrophobicContact CB-CG 4.31Å; R49-E144 IonicContact NH1-OE1 3.73Å; S52-E144 VanDerWaalsContact CB-OE2 3.23Å; S52-E144 WeakPolarHBondContact CB-OE2 3.35Å; S52-E144 PolarHBondContact OG-OE2 3.02Å; K140-E144 WeakPolarHBondContact CE-OE1 3.34Å; K140-E144 HydrophobicContact CG-CB 4.45Å; K140-E144 IonicContact NZ-OE1 2.74Å; K140-E144 PolarHBondContact NZ-OE1 2.86Å; K140-E144 IonicContact NZ-OE2 3.32Å; K140-E144 VanDerWaalsContact O-CB 3.27Å; K140-E144 WeakPolarHBondContact O-CB 3.45Å; K140-E144 PolarHBondContact O-N 3.39Å; E144-T146 PolarHBondContact O-N 2.9Å; E144-P147 WeakPolarHBondContact O-CD 3.37Å; E144-Q148 WeakPolarHBondContact O-CB 3.33Å; E144-Q148 WeakPolarHBondContact O-CG 3.43Å; E144-Q148 PolarHBondContact O-N 3.26Å |
| 145 | T | 95.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 15.2 Ų | 15.2 | 12% | 0.123 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -63.7 | -41.9 | -171.5 | -51.2 | 0 | 0 | 0 | 0 | 112.4 | T141 L149 I177 | T141-T145 CarbonylContact O-C 3.58Å; T141-T145 WeakPolarHBondContact O-CA 3.31Å; T141-T145 VanDerWaalsContact O-CB 3.31Å; T141-T145 WeakPolarHBondContact O-CB 3.17Å; T141-T145 PolarHBondContact O-N 3.3Å; T141-T145 VanDerWaalsContact O-N 3.15Å; T145-L149 VanDerWaalsContact O-CB 3.32Å; T145-L149 WeakPolarHBondContact O-CB 3.37Å; T145-L149 PolarHBondContact O-N 2.89Å; T145-I177 HydrophobicContact CG2-CD1 4.46Å; T145-I177 HydrophobicContact CG2-CG1 4.08Å |
| 146 | T | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.3 | -50.1 | 179.9 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | T141 E144 Q148 L149 F150 I177 I218 F274 | T141-T146 PolarHBondContact O-N 2.94Å; T141-T146 PolarHBondContact O-OG1 3.3Å; E144-T146 PolarHBondContact O-N 2.9Å; T146-Q148 VanDerWaalsContact C-N 3.35Å; T146-Q148 PolarHBondContact O-N 3.24Å; T146-L149 WeakPolarHBondContact O-CB 3.44Å; T146-L149 PolarHBondContact O-N 2.94Å; T146-F150 HydrophobicContact CG2-CD2 4.26Å; T146-F150 HydrophobicContact CG2-CE2 3.86Å; T146-F150 VanDerWaalsContact O-CD2 3.26Å; T146-F150 WeakPolarHBondContact O-CD2 3.39Å; T146-F150 PolarHBondContact O-N 2.97Å; T146-F150 VanDerWaalsContact O-N 3.1Å; T146-I177 WeakPolarHBondContact OG1-CD1 3.28Å; T146-I218 HydrophobicContact CG2-CD1 3.9Å; T146-F274 HydrophobicContact CG2-CD1 3.7Å; T146-F274 HydrophobicContact CG2-CD2 3.91Å; T146-F274 HydrophobicContact CG2-CE1 3.72Å; T146-F274 HydrophobicContact CG2-CE2 3.86Å; T146-F274 HydrophobicContact CG2-CG 3.81Å; T146-F274 HydrophobicContact CG2-CZ 3.76Å |
| 147 | P | 93.6 | Very high | 92.1 | Very high | 21 Ų | 21 | 17.1 Ų | 17.1 | 14% | 0.136 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.3 | -38.7 | 172.9 | -26.3 | 35.4 | 0 | 0 | 0 | 114 | F48 F142 E144 L149 F150 V151 | F48-P147 HydrophobicContact CD1-CB 3.68Å; F48-P147 HydrophobicContact CD1-CG 4.25Å; F48-P147 HydrophobicContact CD2-CB 3.7Å; F48-P147 HydrophobicContact CE1-CB 3.55Å; F48-P147 HydrophobicContact CE1-CG 4.3Å; F48-P147 HydrophobicContact CE2-CB 3.52Å; F48-P147 HydrophobicContact CG-CB 3.78Å; F48-P147 HydrophobicContact CZ-CB 3.47Å; F48-P147 VanDerWaalsContact CZ-CB 3.47Å; F142-P147 WeakPolarHBondContact O-CD 3.3Å; E144-P147 WeakPolarHBondContact O-CD 3.37Å; P147-L149 VanDerWaalsContact C-N 3.32Å; P147-L149 PolarHBondContact O-N 3.1Å; P147-F150 WeakPolarHBondContact O-CB 3.34Å; P147-F150 PolarHBondContact O-N 3.34Å; P147-V151 PolarHBondContact O-N 3.46Å |
| 148 | Q | 94.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 18.9 Ų | 18.9 | 6% | 0.056 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 173.3 | -73.4 | 171.5 | -10.3 | 0 | 0 | 111.8 | D26 F48 E144 T146 F150 V151 Q152 | D26-Q148 PolarHBondContact OD1-NE2 3.49Å; D26-Q148 PolarHBondContact OD1-OE1 2.75Å; D26-Q148 PolarHBondContact OD2-NE2 3.25Å; F48-Q148 HydrophobicContact CB-CG 4.34Å; F48-Q148 HydrophobicContact CD2-CG 4.14Å; E144-Q148 WeakPolarHBondContact O-CB 3.33Å; E144-Q148 WeakPolarHBondContact O-CG 3.43Å; E144-Q148 PolarHBondContact O-N 3.26Å; T146-Q148 VanDerWaalsContact C-N 3.35Å; T146-Q148 PolarHBondContact O-N 3.24Å; Q148-F150 VanDerWaalsContact C-N 3.32Å; Q148-F150 PolarHBondContact O-N 3.32Å; Q148-V151 WeakPolarHBondContact O-CB 3.36Å; Q148-V151 PolarHBondContact O-N 3.28Å; Q148-Q152 WeakPolarHBondContact O-CG 3.27Å; Q148-Q152 PolarHBondContact O-N 3.05Å |
| 149 | L | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 174.3 | 178.7 | 57.8 | 0 | 0 | 0 | 112 | T145 T146 P147 V151 Q152 I153 V170 F174 I177 I218 | T145-L149 VanDerWaalsContact O-CB 3.32Å; T145-L149 WeakPolarHBondContact O-CB 3.37Å; T145-L149 PolarHBondContact O-N 2.89Å; T146-L149 WeakPolarHBondContact O-CB 3.44Å; T146-L149 PolarHBondContact O-N 2.94Å; P147-L149 VanDerWaalsContact C-N 3.32Å; P147-L149 PolarHBondContact O-N 3.1Å; L149-V151 VanDerWaalsContact C-N 3.35Å; L149-V151 PolarHBondContact O-N 2.88Å; L149-Q152 PolarHBondContact O-N 2.95Å; L149-I153 HydrophobicContact CD1-CD1 3.91Å; L149-I153 HydrophobicContact CD1-CG1 4.09Å; L149-I153 HydrophobicContact CG-CD1 3.89Å; L149-I153 HydrophobicContact CG-CG1 4.49Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.45Å; L149-I153 PolarHBondContact O-N 3.47Å; L149-V170 HydrophobicContact CD1-CB 4.28Å; L149-V170 HydrophobicContact CD1-CG1 3.95Å; L149-V170 HydrophobicContact CD1-CG2 4.27Å; L149-F174 HydrophobicContact CD1-CE2 4.4Å; L149-F174 HydrophobicContact CD2-CD1 3.88Å; L149-F174 HydrophobicContact CD2-CD2 4.27Å; L149-F174 HydrophobicContact CD2-CE1 3.76Å; L149-F174 HydrophobicContact CD2-CE2 4.17Å; L149-F174 HydrophobicContact CD2-CG 4.12Å; L149-F174 HydrophobicContact CD2-CZ 3.92Å; L149-I177 HydrophobicContact CD2-CD1 3.65Å; L149-I218 HydrophobicContact CD2-CD1 3.93Å; L149-I218 HydrophobicContact CD2-CG2 4.39Å; L149-I218 HydrophobicContact CG-CG2 4.47Å |
| 150 | F | 90.8 | Very high | 88.5 | Confident | 32 Ų | 32 | 29.4 Ų | 29.4 | 14% | 0.14 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 172.6 | -83.5 | -70.4 | 0 | 0 | 0 | 112.4 | T146 P147 Q148 Q152 I153 Y154 I218 I221 F274 | T146-F150 HydrophobicContact CG2-CD2 4.26Å; T146-F150 HydrophobicContact CG2-CE2 3.86Å; T146-F150 VanDerWaalsContact O-CD2 3.26Å; T146-F150 WeakPolarHBondContact O-CD2 3.39Å; T146-F150 PolarHBondContact O-N 2.97Å; T146-F150 VanDerWaalsContact O-N 3.1Å; P147-F150 WeakPolarHBondContact O-CB 3.34Å; P147-F150 PolarHBondContact O-N 3.34Å; Q148-F150 VanDerWaalsContact C-N 3.32Å; Q148-F150 PolarHBondContact O-N 3.32Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; F150-I153 PolarHBondContact O-N 3.21Å; F150-Y154 WeakPolarHBondContact O-CB 3.41Å; F150-Y154 PolarHBondContact O-N 2.94Å; F150-I218 HydrophobicContact CD1-CG2 4.24Å; F150-I218 HydrophobicContact CE1-CB 4.32Å; F150-I218 HydrophobicContact CE1-CG2 3.76Å; F150-I218 WeakPolarHBondContact CE1-O 3.28Å; F150-I218 HydrophobicContact CE2-CG1 4.18Å; F150-I218 HydrophobicContact CE2-CG2 4.31Å; F150-I218 HydrophobicContact CZ-CB 4.04Å; F150-I218 HydrophobicContact CZ-CG1 3.87Å; F150-I218 HydrophobicContact CZ-CG2 3.82Å; F150-I221 HydrophobicContact CD1-CG2 4.1Å; F150-I221 HydrophobicContact CE1-CB 3.52Å; F150-I221 HydrophobicContact CE1-CD1 4.43Å; F150-I221 HydrophobicContact CE1-CG2 3.32Å; F150-I221 HydrophobicContact CZ-CB 3.84Å; F150-I221 HydrophobicContact CZ-CD1 3.86Å; F150-I221 HydrophobicContact CZ-CG1 4.49Å; F150-I221 HydrophobicContact CZ-CG2 3.74Å; F150-F274 HydrophobicContact CD2-CE1 4.41Å; F150-F274 HydrophobicContact CE2-CD1 4.11Å; F150-F274 AromaticContact CE2-CE1 3.36Å; F150-F274 HydrophobicContact CE2-CE1 3.36Å; F150-F274 HydrophobicContact CE2-CZ 4.03Å; F150-F274 HydrophobicContact CZ-CD1 4.49Å; F150-F274 AromaticContact CZ-CE1 3.93Å; F150-F274 HydrophobicContact CZ-CE1 3.93Å |
| 151 | V | 89.7 | Confident | 86.4 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | W41 L44 F48 P147 Q148 L149 I153 Y154 I155 | W41-V151 HydrophobicContact CD2-CG1 4.33Å; W41-V151 HydrophobicContact CE3-CG1 3.4Å; W41-V151 HydrophobicContact CZ3-CB 4.42Å; W41-V151 HydrophobicContact CZ3-CG1 3.59Å; W41-V151 HydrophobicContact CZ3-CG2 4.25Å; L44-V151 HydrophobicContact CD2-CG2 3.42Å; L44-V151 VanDerWaalsContact CD2-CG2 3.42Å; L44-V151 HydrophobicContact CG-CG2 4.25Å; F48-V151 HydrophobicContact CE2-CG2 4.05Å; P147-V151 PolarHBondContact O-N 3.46Å; Q148-V151 WeakPolarHBondContact O-CB 3.36Å; Q148-V151 PolarHBondContact O-N 3.28Å; L149-V151 VanDerWaalsContact C-N 3.35Å; L149-V151 PolarHBondContact O-N 2.88Å; V151-I153 PolarHBondContact O-N 2.65Å; V151-Y154 PolarHBondContact O-N 2.84Å; V151-I155 HydrophobicContact CG1-CD1 3.71Å; V151-I155 HydrophobicContact CG1-CG1 4.41Å; V151-I155 VanDerWaalsContact O-CG1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.29Å; V151-I155 PolarHBondContact O-N 3.32Å |
| 152 | Q | 90.5 | Very high | 84.5 | Confident | 58 Ų | 58 | 36.4 Ų | 36.4 | 27% | 0.271 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 177.8 | -72.3 | 172.2 | -9.3 | 0 | 0 | 112.1 | Q148 L149 F150 I155 L156 V170 | Q148-Q152 WeakPolarHBondContact O-CG 3.27Å; Q148-Q152 PolarHBondContact O-N 3.05Å; L149-Q152 PolarHBondContact O-N 2.95Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-I155 PolarHBondContact O-N 2.71Å; Q152-L156 VanDerWaalsContact O-CB 3.24Å; Q152-L156 WeakPolarHBondContact O-CB 3.19Å; Q152-L156 PolarHBondContact O-N 3.23Å; Q152-V170 HydrophobicContact CB-CG2 4.25Å |
| 153 | I | 89.8 | Confident | 83.5 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 177.5 | -67.6 | 165.9 | 0 | 0 | 0 | 110.6 | L149 F150 V151 L156 M157 V170 F174 I218 L219 | L149-I153 HydrophobicContact CD1-CD1 3.91Å; L149-I153 HydrophobicContact CD1-CG1 4.09Å; L149-I153 HydrophobicContact CG-CD1 3.89Å; L149-I153 HydrophobicContact CG-CG1 4.49Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.45Å; L149-I153 PolarHBondContact O-N 3.47Å; F150-I153 PolarHBondContact O-N 3.21Å; V151-I153 PolarHBondContact O-N 2.65Å; I153-L156 PolarHBondContact O-N 2.95Å; I153-M157 HydrophobicContact CG2-CG 4.34Å; I153-M157 HydrophobicContact CG2-SD 3.83Å; I153-M157 WeakPolarHBondContact O-CB 3.32Å; I153-M157 VanDerWaalsContact O-CG 3.29Å; I153-M157 WeakPolarHBondContact O-CG 3.31Å; I153-M157 PolarHBondContact O-N 3.12Å; I153-V170 HydrophobicContact CD1-CG1 4.44Å; I153-V170 HydrophobicContact CG1-CG1 4.05Å; I153-V170 HydrophobicContact CG1-CG2 4.3Å; I153-F174 HydrophobicContact CD1-CE2 4.11Å; I153-F174 HydrophobicContact CD1-CZ 3.92Å; I153-I218 HydrophobicContact CD1-CG2 3.63Å; I153-L219 HydrophobicContact CD1-CD2 4.37Å |
| 154 | Y | 87.5 | Confident | 82.7 | Confident | 56 Ų | 56 | 43.6 Ų | 43.6 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 177.8 | 179.6 | -95.6 | 0 | 0 | 0 | 111.8 | W41 F150 V151 L156 M157 Q158 T225 L226 | W41-Y154 AromaticContact CH2-CD1 3.43Å; W41-Y154 HydrophobicContact CH2-CD1 3.43Å; W41-Y154 VanDerWaalsContact CH2-CD1 3.43Å; W41-Y154 AromaticContact CH2-CE1 3.59Å; W41-Y154 HydrophobicContact CH2-CE1 3.59Å; W41-Y154 AromaticContact CZ2-CD1 3.86Å; W41-Y154 HydrophobicContact CZ2-CD1 3.86Å; W41-Y154 AromaticContact CZ2-CE1 3.78Å; W41-Y154 HydrophobicContact CZ2-CE1 3.78Å; W41-Y154 HydrophobicContact CZ3-CD1 4.44Å; F150-Y154 WeakPolarHBondContact O-CB 3.41Å; F150-Y154 PolarHBondContact O-N 2.94Å; V151-Y154 PolarHBondContact O-N 2.84Å; Y154-L156 PolarHBondContact O-N 3.43Å; Y154-M157 PolarHBondContact O-N 2.85Å; Y154-Q158 WeakPolarHBondContact O-CB 3.33Å; Y154-Q158 PolarHBondContact O-N 2.91Å; Y154-T225 HydrophobicContact CD2-CG2 4.23Å; Y154-L226 HydrophobicContact CD2-CD2 3.72Å; Y154-L226 HydrophobicContact CD2-CG 4.42Å; Y154-L226 HydrophobicContact CE2-CD2 3.73Å |
| 155 | I | 85.3 | Confident | 82 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.3 | -67.7 | 170.4 | 0 | 0 | 0 | 110.7 | Y33 W41 V151 Q152 M157 Q158 H159 | Y33-I155 HydrophobicContact CE1-CD1 4.25Å; Y33-I155 VanDerWaalsContact OH-CD1 3.25Å; Y33-I155 WeakPolarHBondContact OH-CD1 3.35Å; W41-I155 HydrophobicContact CD2-CD1 3.85Å; W41-I155 HydrophobicContact CD2-CG1 4.33Å; W41-I155 HydrophobicContact CE3-CD1 4.16Å; W41-I155 HydrophobicContact CG-CD1 4.07Å; W41-I155 HydrophobicContact CH2-CG1 4.41Å; W41-I155 HydrophobicContact CZ2-CG1 4.09Å; V151-I155 HydrophobicContact CG1-CD1 3.71Å; V151-I155 HydrophobicContact CG1-CG1 4.41Å; V151-I155 VanDerWaalsContact O-CG1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.29Å; V151-I155 PolarHBondContact O-N 3.32Å; Q152-I155 PolarHBondContact O-N 2.71Å; I155-M157 VanDerWaalsContact C-N 3.28Å; I155-M157 PolarHBondContact O-N 3.18Å; I155-Q158 PolarHBondContact O-N 3.28Å; I155-Q158 VanDerWaalsContact O-N 3.17Å; I155-H159 PolarHBondContact O-N 2.88Å |
| 156 | L | 85 | Confident | 81.5 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 177.6 | -178.4 | 66 | 0 | 0 | 0 | 112.5 | Q152 I153 Y154 H159 Q166 Y167 V170 | Q152-L156 VanDerWaalsContact O-CB 3.24Å; Q152-L156 WeakPolarHBondContact O-CB 3.19Å; Q152-L156 PolarHBondContact O-N 3.23Å; I153-L156 PolarHBondContact O-N 2.95Å; Y154-L156 PolarHBondContact O-N 3.43Å; L156-H159 VanDerWaalsContact O-O 3.06Å; L156-Q166 HydrophobicContact CD1-CB 4.14Å; L156-Y167 HydrophobicContact CD1-CD1 4.45Å; L156-Y167 HydrophobicContact CD1-CD2 4.47Å; L156-Y167 HydrophobicContact CD1-CE1 4.04Å; L156-Y167 HydrophobicContact CD1-CE2 4.06Å; L156-Y167 HydrophobicContact CD2-CD1 3.84Å; L156-Y167 HydrophobicContact CD2-CE1 3.71Å; L156-Y167 HydrophobicContact CG-CE1 4.19Å; L156-V170 HydrophobicContact CD2-CG2 4.21Å |
| 157 | M | 79.4 | Confident | 81.1 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -82.8 | -22.3 | 177.8 | -66.8 | -176 | 75 | 0 | 0 | 112.6 | I153 Y154 I155 L223 L226 K315 F319 V322 | I153-M157 HydrophobicContact CG2-CG 4.34Å; I153-M157 HydrophobicContact CG2-SD 3.83Å; I153-M157 WeakPolarHBondContact O-CB 3.32Å; I153-M157 VanDerWaalsContact O-CG 3.29Å; I153-M157 WeakPolarHBondContact O-CG 3.31Å; I153-M157 PolarHBondContact O-N 3.12Å; Y154-M157 PolarHBondContact O-N 2.85Å; I155-M157 VanDerWaalsContact C-N 3.28Å; I155-M157 PolarHBondContact O-N 3.18Å; M157-L223 HydrophobicContact CE-CD2 4.35Å; M157-L226 HydrophobicContact CB-CD1 3.71Å; M157-L226 HydrophobicContact CB-CD2 4.33Å; M157-L226 HydrophobicContact CE-CD1 3.17Å; M157-L226 HydrophobicContact CG-CD1 4.09Å; M157-L226 HydrophobicContact SD-CD1 3.3Å; M157-L226 WeakPolarHBondContact SD-CD1 3.3Å; M157-K315 PolarHBondContact O-NZ 3.06Å; M157-K315 VanDerWaalsContact O-NZ 3.09Å; M157-F319 HydrophobicContact CE-CD1 3.71Å; M157-F319 HydrophobicContact CE-CE1 3.77Å; M157-V322 HydrophobicContact CE-CB 4.17Å; M157-V322 HydrophobicContact CE-CG1 4.26Å; M157-V322 HydrophobicContact CE-CG2 3.83Å; M157-V322 HydrophobicContact SD-CG2 4.19Å |
| 158 | Q | 77 | Confident | 80.8 | Confident | 82 Ų | 82 | 56 Ų | 56 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -82.5 | -39 | 178.2 | -164 | 165.6 | 28.2 | 0 | 0 | 112.5 | Y154 I155 K315 | Y154-Q158 WeakPolarHBondContact O-CB 3.33Å; Y154-Q158 PolarHBondContact O-N 2.91Å; I155-Q158 PolarHBondContact O-N 3.28Å; I155-Q158 VanDerWaalsContact O-N 3.17Å; Q158-K315 PolarHBondContact O-NZ 3.06Å |
| 159 | H | 72.6 | Confident | 80.6 | Confident | 94 Ų | 94 | 57.5 Ų | 57.5 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -106 | 129 | -179 | -70 | -81.4 | 0 | 0 | 0 | 111.8 | I155 L156 A161 | I155-H159 PolarHBondContact O-N 2.88Å; L156-H159 VanDerWaalsContact O-O 3.06Å; H159-A161 HydrophobicContact CB-CB 4.47Å; H159-A161 PolarHBondContact O-N 3.3Å |
| 160 | D | 59.9 | Low | 80.5 | Confident | 128 Ų | 128 | 58.3 Ų | 58.3 | 68% | 0.684 | 32% | 0.324 | S | S | * | . | trans | -77.4 | 46.3 | 175.9 | -159.4 | 17.5 | 0 | 0 | 0 | 111.7 | N162 Y318 | D160-N162 PolarHBondContact O-N 2.99Å; D160-Y318 WeakPolarHBondContact OD1-CE2 3.4Å; D160-Y318 PolarHBondContact OD1-OH 3.01Å | ||
| 161 | A | 51.6 | Low | 80.6 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 35% | 0.347 | 34% | 0.343 | S | S | . | . | trans | -92 | 101.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | H159 S163 | H159-A161 HydrophobicContact CB-CB 4.47Å; H159-A161 PolarHBondContact O-N 3.3Å; A161-S163 PolarHBondContact O-N 3.33Å | ||
| 162 | N | 56.7 | Low | 80.7 | Confident | 134 Ų | 134 | 67.6 Ų | 67.6 | 72% | 0.717 | 37% | 0.37 | S | S | * | . | trans | -73.4 | 48 | -177.4 | -122 | 7.9 | 0 | 0 | 0 | 113.6 | D160 V164 | D160-N162 PolarHBondContact O-N 2.99Å; N162-V164 PolarHBondContact O-N 2.88Å | ||
| 163 | S | 73.4 | Confident | 80.9 | Confident | 40 Ų | 40 | 65.8 Ų | 65.8 | 28% | 0.28 | 36% | 0.364 | S | S | . | . | trans | -90 | 108.1 | 178.2 | 70.4 | 0 | 0 | 0 | 0 | 110.1 | A161 C165 Q166 | A161-S163 PolarHBondContact O-N 3.33Å; S163-C165 PolarHBondContact O-N 3.49Å; S163-Q166 PolarHBondContact O-N 3.44Å; S163-Q166 WeakPolarHBondContact OG-CB 3.37Å; S163-Q166 WeakPolarHBondContact OG-CG 3.31Å; S163-Q166 PolarHBondContact OG-OE1 3.23Å | ||
| 164 | V | 80.5 | Confident | 81.2 | Confident | 120 Ų | 120 | 66.2 Ų | 66.2 | 73% | 0.727 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -49 | -32.5 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | N162 Q166 Y167 A168 | N162-V164 PolarHBondContact O-N 2.88Å; V164-Q166 PolarHBondContact O-N 3.31Å; V164-Y167 PolarHBondContact O-N 3.19Å; V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 3.44Å |
| 165 | C | 79.8 | Confident | 81.5 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 71% | 0.709 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.3 | -37.5 | 176.7 | -65.5 | 0 | 0 | 0 | 0 | 113.8 | S163 A169 | S163-C165 PolarHBondContact O-N 3.49Å; C165-A169 WeakPolarHBondContact O-CB 3.31Å; C165-A169 PolarHBondContact O-N 2.89Å |
| 166 | Q | 85.3 | Confident | 81.9 | Confident | 72 Ų | 72 | 67 Ų | 67 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.8 | -43.3 | 178.6 | -77.4 | 173.9 | 2.7 | 0 | 0 | 111.6 | L156 S163 V164 A168 A169 V170 | L156-Q166 HydrophobicContact CD1-CB 4.14Å; S163-Q166 PolarHBondContact O-N 3.44Å; S163-Q166 WeakPolarHBondContact OG-CB 3.37Å; S163-Q166 WeakPolarHBondContact OG-CG 3.31Å; S163-Q166 PolarHBondContact OG-OE1 3.23Å; V164-Q166 PolarHBondContact O-N 3.31Å; Q166-A168 VanDerWaalsContact C-N 3.33Å; Q166-A168 PolarHBondContact O-N 2.93Å; Q166-A169 WeakPolarHBondContact O-CB 3.46Å; Q166-A169 PolarHBondContact O-N 3.49Å; Q166-V170 WeakPolarHBondContact O-CG2 3.47Å; Q166-V170 PolarHBondContact O-N 3.23Å |
| 167 | Y | 86.1 | Confident | 82.3 | Confident | 83 Ų | 83 | 66 Ų | 66 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 173.8 | -69.7 | -76.7 | 0 | 0 | 0 | 111.5 | L156 V164 A169 V170 I171 | L156-Y167 HydrophobicContact CD1-CD1 4.45Å; L156-Y167 HydrophobicContact CD1-CD2 4.47Å; L156-Y167 HydrophobicContact CD1-CE1 4.04Å; L156-Y167 HydrophobicContact CD1-CE2 4.06Å; L156-Y167 HydrophobicContact CD2-CD1 3.84Å; L156-Y167 HydrophobicContact CD2-CE1 3.71Å; L156-Y167 HydrophobicContact CG-CE1 4.19Å; V164-Y167 PolarHBondContact O-N 3.19Å; Y167-A169 VanDerWaalsContact C-N 3.33Å; Y167-A169 PolarHBondContact O-N 2.84Å; Y167-V170 PolarHBondContact O-N 3.45Å; Y167-I171 VanDerWaalsContact O-CG1 3.31Å; Y167-I171 WeakPolarHBondContact O-CG1 3.46Å; Y167-I171 PolarHBondContact O-N 3.46Å |
| 168 | A | 88 | Confident | 83.1 | Confident | 46 Ų | 46 | 65 Ų | 65 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V164 Q166 I171 M172 | V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 3.44Å; Q166-A168 VanDerWaalsContact C-N 3.33Å; Q166-A168 PolarHBondContact O-N 2.93Å; A168-I171 PolarHBondContact O-N 3.43Å; A168-M172 WeakPolarHBondContact O-CB 3.43Å; A168-M172 WeakPolarHBondContact O-CG 3.2Å; A168-M172 PolarHBondContact O-N 2.97Å |
| 169 | A | 89.9 | Confident | 83.8 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 35% | 0.347 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C165 Q166 Y167 I171 M172 S173 | C165-A169 WeakPolarHBondContact O-CB 3.31Å; C165-A169 PolarHBondContact O-N 2.89Å; Q166-A169 WeakPolarHBondContact O-CB 3.46Å; Q166-A169 PolarHBondContact O-N 3.49Å; Y167-A169 VanDerWaalsContact C-N 3.33Å; Y167-A169 PolarHBondContact O-N 2.84Å; A169-I171 PolarHBondContact O-N 3.06Å; A169-M172 PolarHBondContact O-N 3.48Å; A169-S173 PolarHBondContact O-N 3.46Å; A169-S173 PolarHBondContact O-OG 3.37Å; A169-S173 VanDerWaalsContact O-OG 3.09Å |
| 170 | V | 92.1 | Very high | 84.8 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 11% | 0.109 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.5 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | L149 Q152 I153 L156 Q166 Y167 S173 F174 | L149-V170 HydrophobicContact CD1-CB 4.28Å; L149-V170 HydrophobicContact CD1-CG1 3.95Å; L149-V170 HydrophobicContact CD1-CG2 4.27Å; Q152-V170 HydrophobicContact CB-CG2 4.25Å; I153-V170 HydrophobicContact CD1-CG1 4.44Å; I153-V170 HydrophobicContact CG1-CG1 4.05Å; I153-V170 HydrophobicContact CG1-CG2 4.3Å; L156-V170 HydrophobicContact CD2-CG2 4.21Å; Q166-V170 WeakPolarHBondContact O-CG2 3.47Å; Q166-V170 PolarHBondContact O-N 3.23Å; Y167-V170 PolarHBondContact O-N 3.45Å; V170-S173 WeakPolarHBondContact O-CB 3.25Å; V170-S173 PolarHBondContact O-N 2.77Å; V170-F174 HydrophobicContact CG1-CD2 3.94Å; V170-F174 HydrophobicContact CG1-CE2 3.7Å; V170-F174 VanDerWaalsContact O-CD2 3.26Å; V170-F174 WeakPolarHBondContact O-CD2 3.29Å; V170-F174 PolarHBondContact O-N 2.98Å; V170-F174 VanDerWaalsContact O-N 3.08Å |
| 171 | I | 92.2 | Very high | 86.3 | Confident | 105 Ų | 105 | 53.4 Ų | 53.4 | 54% | 0.538 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 177.6 | -68.1 | 166.9 | 0 | 0 | 0 | 110.7 | Y167 A168 A169 S173 F174 C175 | Y167-I171 VanDerWaalsContact O-CG1 3.31Å; Y167-I171 WeakPolarHBondContact O-CG1 3.46Å; Y167-I171 PolarHBondContact O-N 3.46Å; A168-I171 PolarHBondContact O-N 3.43Å; A169-I171 PolarHBondContact O-N 3.06Å; I171-S173 VanDerWaalsContact C-N 3.31Å; I171-S173 PolarHBondContact O-N 3.1Å; I171-F174 PolarHBondContact O-N 3.48Å; I171-C175 PolarHBondContact O-N 2.93Å; I171-C175 PolarHBondContact O-SG 3.24Å; I171-C175 VanDerWaalsContact O-SG 3.41Å |
| 172 | M | 92.1 | Very high | 88.2 | Confident | 133 Ų | 133 | 52 Ų | 52 | 66% | 0.655 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.4 | -39.1 | 177.5 | -75.1 | -61.7 | -64.8 | 0 | 0 | 111.9 | A168 A169 C175 G176 | A168-M172 WeakPolarHBondContact O-CB 3.43Å; A168-M172 WeakPolarHBondContact O-CG 3.2Å; A168-M172 PolarHBondContact O-N 2.97Å; A169-M172 PolarHBondContact O-N 3.48Å; M172-C175 PolarHBondContact O-N 3.31Å; M172-G176 PolarHBondContact O-N 2.91Å |
| 173 | S | 94.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 174.5 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | A169 V170 I171 C175 G176 I177 | A169-S173 PolarHBondContact O-N 3.46Å; A169-S173 PolarHBondContact O-OG 3.37Å; A169-S173 VanDerWaalsContact O-OG 3.09Å; V170-S173 WeakPolarHBondContact O-CB 3.25Å; V170-S173 PolarHBondContact O-N 2.77Å; I171-S173 VanDerWaalsContact C-N 3.31Å; I171-S173 PolarHBondContact O-N 3.1Å; S173-C175 PolarHBondContact O-N 3.31Å; S173-G176 PolarHBondContact O-N 3.41Å; S173-I177 WeakPolarHBondContact O-CD1 3.19Å; S173-I177 VanDerWaalsContact O-CG1 3.25Å; S173-I177 WeakPolarHBondContact O-CG1 3.33Å; S173-I177 PolarHBondContact O-N 3.47Å |
| 174 | F | 95.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 175.2 | -81.7 | -63.1 | 0 | 0 | 0 | 112.6 | L149 I153 V170 I171 S178 L211 I214 T215 I218 L219 | L149-F174 HydrophobicContact CD1-CE2 4.4Å; L149-F174 HydrophobicContact CD2-CD1 3.88Å; L149-F174 HydrophobicContact CD2-CD2 4.27Å; L149-F174 HydrophobicContact CD2-CE1 3.76Å; L149-F174 HydrophobicContact CD2-CE2 4.17Å; L149-F174 HydrophobicContact CD2-CG 4.12Å; L149-F174 HydrophobicContact CD2-CZ 3.92Å; I153-F174 HydrophobicContact CD1-CE2 4.11Å; I153-F174 HydrophobicContact CD1-CZ 3.92Å; V170-F174 HydrophobicContact CG1-CD2 3.94Å; V170-F174 HydrophobicContact CG1-CE2 3.7Å; V170-F174 VanDerWaalsContact O-CD2 3.26Å; V170-F174 WeakPolarHBondContact O-CD2 3.29Å; V170-F174 PolarHBondContact O-N 2.98Å; V170-F174 VanDerWaalsContact O-N 3.08Å; I171-F174 PolarHBondContact O-N 3.48Å; F174-S178 WeakPolarHBondContact O-CB 3.37Å; F174-S178 PolarHBondContact O-N 2.84Å; F174-S178 VanDerWaalsContact O-N 3.16Å; F174-S178 PolarHBondContact O-OG 2.83Å; F174-L211 HydrophobicContact CB-CD1 3.89Å; F174-I214 HydrophobicContact CD1-CG2 4.46Å; F174-T215 WeakPolarHBondContact CD1-OG1 3.38Å; F174-T215 HydrophobicContact CE1-CG2 4.33Å; F174-T215 HydrophobicContact CZ-CG2 4.3Å; F174-I218 HydrophobicContact CE1-CB 3.83Å; F174-I218 HydrophobicContact CE1-CD1 3.85Å; F174-I218 HydrophobicContact CE1-CG1 4.32Å; F174-I218 HydrophobicContact CE1-CG2 3.98Å; F174-I218 HydrophobicContact CZ-CB 4.06Å; F174-I218 HydrophobicContact CZ-CG2 3.83Å; F174-L219 HydrophobicContact CZ-CD2 4.43Å; F174-L219 HydrophobicContact CZ-CG 4.5Å |
| 175 | C | 94.3 | Very high | 90.8 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 32% | 0.324 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.4 | -72.1 | 0 | 0 | 0 | 0 | 111.5 | I171 M172 S173 S178 V179 | I171-C175 PolarHBondContact O-N 2.93Å; I171-C175 PolarHBondContact O-SG 3.24Å; I171-C175 VanDerWaalsContact O-SG 3.41Å; M172-C175 PolarHBondContact O-N 3.31Å; S173-C175 PolarHBondContact O-N 3.31Å; C175-S178 PolarHBondContact O-N 3.39Å; C175-V179 WeakPolarHBondContact O-CB 3.45Å; C175-V179 WeakPolarHBondContact O-CG2 3.14Å; C175-V179 PolarHBondContact O-N 3.27Å |
| 176 | G | 93.1 | Very high | 91.1 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 39% | 0.392 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M172 S173 S178 V179 S180 | M172-G176 PolarHBondContact O-N 2.91Å; S173-G176 PolarHBondContact O-N 3.41Å; G176-S178 VanDerWaalsContact C-N 3.29Å; G176-S178 PolarHBondContact O-N 3.08Å; G176-V179 PolarHBondContact O-N 2.87Å; G176-S180 PolarHBondContact O-N 3.22Å |
| 177 | I | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 176.6 | -64.6 | 161.6 | 0 | 0 | 0 | 110.4 | T141 F142 T145 T146 L149 S173 S180 M181 I214 I218 | T141-I177 HydrophobicContact CG2-CB 3.87Å; T141-I177 HydrophobicContact CG2-CG1 3.63Å; T141-I177 HydrophobicContact CG2-CG2 3.82Å; F142-I177 HydrophobicContact CE1-CG2 4.03Å; F142-I177 HydrophobicContact CZ-CG2 3.99Å; T145-I177 HydrophobicContact CG2-CD1 4.46Å; T145-I177 HydrophobicContact CG2-CG1 4.08Å; T146-I177 WeakPolarHBondContact OG1-CD1 3.28Å; L149-I177 HydrophobicContact CD2-CD1 3.65Å; S173-I177 WeakPolarHBondContact O-CD1 3.19Å; S173-I177 VanDerWaalsContact O-CG1 3.25Å; S173-I177 WeakPolarHBondContact O-CG1 3.33Å; S173-I177 PolarHBondContact O-N 3.47Å; I177-S180 PolarHBondContact O-N 3.48Å; I177-M181 PolarHBondContact O-N 3.01Å; I177-I214 HydrophobicContact CG2-CD1 3.9Å; I177-I214 HydrophobicContact CG2-CG2 4.22Å; I177-I218 HydrophobicContact CD1-CD1 4.39Å |
| 178 | S | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.7 | -45.7 | -177.9 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | F174 C175 G176 S180 M181 V182 L211 | F174-S178 WeakPolarHBondContact O-CB 3.37Å; F174-S178 PolarHBondContact O-N 2.84Å; F174-S178 VanDerWaalsContact O-N 3.16Å; F174-S178 PolarHBondContact O-OG 2.83Å; C175-S178 PolarHBondContact O-N 3.39Å; G176-S178 VanDerWaalsContact C-N 3.29Å; G176-S178 PolarHBondContact O-N 3.08Å; S178-S180 VanDerWaalsContact C-N 3.33Å; S178-S180 PolarHBondContact O-N 3.3Å; S178-M181 WeakPolarHBondContact O-CB 3.17Å; S178-M181 PolarHBondContact O-N 3.43Å; S178-V182 VanDerWaalsContact O-CG2 3.3Å; S178-V182 WeakPolarHBondContact O-CG2 3.26Å; S178-V182 PolarHBondContact O-N 3.49Å; S178-V182 VanDerWaalsContact O-N 3.09Å; S178-L211 WeakPolarHBondContact OG-CA 3.25Å; S178-L211 WeakPolarHBondContact OG-CB 3.42Å; S178-L211 WeakPolarHBondContact OG-CD1 3.31Å; S178-L211 PolarHBondContact OG-N 3.43Å |
| 179 | V | 93.1 | Very high | 90.5 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 35% | 0.352 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | C175 G176 M181 V182 D183 L207 | C175-V179 WeakPolarHBondContact O-CB 3.45Å; C175-V179 WeakPolarHBondContact O-CG2 3.14Å; C175-V179 PolarHBondContact O-N 3.27Å; G176-V179 PolarHBondContact O-N 2.87Å; V179-M181 VanDerWaalsContact C-N 3.26Å; V179-M181 PolarHBondContact O-N 3.09Å; V179-V182 PolarHBondContact O-N 2.78Å; V179-D183 PolarHBondContact O-N 3.4Å; V179-L207 HydrophobicContact CG2-CD1 4.01Å |
| 180 | S | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.4 | -38.3 | 176.5 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | K137 T141 G176 I177 S178 Y184 | K137-S180 WeakPolarHBondContact CG-OG 3.1Å; T141-S180 PolarHBondContact OG1-OG 2.97Å; G176-S180 PolarHBondContact O-N 3.22Å; I177-S180 PolarHBondContact O-N 3.48Å; S178-S180 VanDerWaalsContact C-N 3.33Å; S178-S180 PolarHBondContact O-N 3.3Å; S180-Y184 WeakPolarHBondContact O-CB 3.32Å; S180-Y184 PolarHBondContact O-N 2.97Å; S180-Y184 VanDerWaalsContact O-N 3.08Å |
| 181 | M | 91.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.8 | -35 | 175.6 | -76.7 | -60 | -64.2 | 0 | 0 | 112.7 | V138 F142 I177 S178 V179 Q185 K210 T275 F277 | V138-M181 HydrophobicContact CG1-SD 4.21Å; V138-M181 HydrophobicContact CG2-SD 4.17Å; F142-M181 HydrophobicContact CE2-CG 4.1Å; F142-M181 HydrophobicContact CE2-SD 3.62Å; F142-M181 HydrophobicContact CZ-CG 4.03Å; F142-M181 HydrophobicContact CZ-SD 4Å; I177-M181 PolarHBondContact O-N 3.01Å; S178-M181 WeakPolarHBondContact O-CB 3.17Å; S178-M181 PolarHBondContact O-N 3.43Å; V179-M181 VanDerWaalsContact C-N 3.26Å; V179-M181 PolarHBondContact O-N 3.09Å; M181-Q185 WeakPolarHBondContact O-CB 3.09Å; M181-Q185 PolarHBondContact O-N 3.49Å; M181-K210 HydrophobicContact CB-CG 4.34Å; M181-T275 HydrophobicContact CE-CG2 3.86Å; M181-T275 HydrophobicContact CG-CG2 4.44Å; M181-T275 HydrophobicContact SD-CG2 4.06Å; M181-F277 HydrophobicContact CE-CD2 4.23Å |
| 182 | V | 90.6 | Very high | 88.4 | Confident | 14 Ų | 14 | 24.4 Ų | 24.4 | 9% | 0.085 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.6 | -47.2 | 175 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | S178 V179 Y184 Q185 I186 Y206 L207 | S178-V182 VanDerWaalsContact O-CG2 3.3Å; S178-V182 WeakPolarHBondContact O-CG2 3.26Å; S178-V182 PolarHBondContact O-N 3.49Å; S178-V182 VanDerWaalsContact O-N 3.09Å; V179-V182 PolarHBondContact O-N 2.78Å; V182-Y184 VanDerWaalsContact C-N 3.3Å; V182-Y184 PolarHBondContact O-N 3.36Å; V182-Q185 PolarHBondContact O-N 2.92Å; V182-Q185 VanDerWaalsContact O-N 3.13Å; V182-I186 HydrophobicContact CG1-CD1 3.7Å; V182-I186 HydrophobicContact CG1-CG1 4.26Å; V182-I186 VanDerWaalsContact O-CG1 3.31Å; V182-I186 WeakPolarHBondContact O-CG1 3.44Å; V182-I186 PolarHBondContact O-N 3.36Å; V182-Y206 HydrophobicContact CB-CD1 4.3Å; V182-Y206 HydrophobicContact CG1-CD1 4.42Å; V182-Y206 HydrophobicContact CG2-CD1 3.71Å; V182-Y206 HydrophobicContact CG2-CE1 4.18Å; V182-L207 HydrophobicContact CG2-CB 3.92Å; V182-L207 HydrophobicContact CG2-CD1 3.77Å; V182-L207 HydrophobicContact CG2-CG 4.47Å |
| 183 | D | 89.8 | Confident | 86.8 | Confident | 39 Ų | 39 | 21.7 Ų | 21.7 | 21% | 0.209 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 178.7 | -69.2 | -20.3 | 0 | 0 | 0 | 111.5 | K137 V179 I186 S187 | K137-D183 IonicContact NZ-OD2 2.78Å; K137-D183 PolarHBondContact NZ-OD2 2.73Å; V179-D183 PolarHBondContact O-N 3.4Å; D183-I186 PolarHBondContact O-N 2.92Å; D183-S187 WeakPolarHBondContact O-CB 3.45Å; D183-S187 PolarHBondContact O-N 2.8Å; D183-S187 PolarHBondContact O-OG 2.84Å |
| 184 | Y | 90 | Very high | 85 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 173.9 | 170.3 | -106.8 | 0 | 0 | 0 | 111.9 | M135 V138 S180 V182 I186 S187 L188 F277 F374 | M135-Y184 HydrophobicContact CB-CD2 4.35Å; M135-Y184 HydrophobicContact CB-CE2 4.26Å; M135-Y184 HydrophobicContact CG-CE2 4.4Å; M135-Y184 HydrophobicContact SD-CD2 3.91Å; M135-Y184 HydrophobicContact SD-CE2 3.22Å; M135-Y184 WeakPolarHBondContact SD-CE2 3.36Å; V138-Y184 HydrophobicContact CG2-CD1 4.49Å; V138-Y184 HydrophobicContact CG2-CD2 4.48Å; V138-Y184 HydrophobicContact CG2-CG 3.91Å; S180-Y184 WeakPolarHBondContact O-CB 3.32Å; S180-Y184 PolarHBondContact O-N 2.97Å; S180-Y184 VanDerWaalsContact O-N 3.08Å; V182-Y184 VanDerWaalsContact C-N 3.3Å; V182-Y184 PolarHBondContact O-N 3.36Å; Y184-I186 VanDerWaalsContact C-N 3.29Å; Y184-I186 PolarHBondContact O-N 3.09Å; Y184-S187 PolarHBondContact O-N 3.38Å; Y184-L188 HydrophobicContact CE1-CD2 4.1Å; Y184-L188 HydrophobicContact CE2-CB 4.36Å; Y184-L188 VanDerWaalsContact O-CB 3.25Å; Y184-L188 WeakPolarHBondContact O-CB 3.34Å; Y184-L188 PolarHBondContact O-N 2.98Å; Y184-F277 AromaticContact CD1-CE2 3.8Å; Y184-F277 HydrophobicContact CD1-CE2 3.8Å; Y184-F277 HydrophobicContact CD1-CZ 4.47Å; Y184-F277 HydrophobicContact CE1-CD2 4.19Å; Y184-F277 AromaticContact CE1-CE2 3.24Å; Y184-F277 HydrophobicContact CE1-CE2 3.24Å; Y184-F277 AromaticContact CE1-CZ 3.58Å; Y184-F277 HydrophobicContact CE1-CZ 3.58Å; Y184-F277 HydrophobicContact CE2-CE2 4.48Å; Y184-F277 HydrophobicContact CE2-CZ 4.3Å; Y184-F277 AromaticContact CZ-CE2 3.64Å; Y184-F277 AromaticContact CZ-CZ 3.46Å; Y184-F277 VanDerWaalsContact CZ-CZ 3.46Å; Y184-F277 VanDerWaalsContact OH-CZ 3.25Å; Y184-F277 WeakPolarHBondContact OH-CZ 3.35Å; Y184-F374 HydrophobicContact CE2-CE1 4.21Å |
| 185 | Q | 86.3 | Confident | 83.2 | Confident | 24 Ų | 24 | 27.4 Ų | 27.4 | 11% | 0.112 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -36.9 | -178.5 | -173.2 | 64.3 | 12.1 | 0 | 0 | 112.3 | M181 V182 R189 F198 Y206 | M181-Q185 WeakPolarHBondContact O-CB 3.09Å; M181-Q185 PolarHBondContact O-N 3.49Å; V182-Q185 PolarHBondContact O-N 2.92Å; V182-Q185 VanDerWaalsContact O-N 3.13Å; Q185-R189 VanDerWaalsContact O-CB 3.3Å; Q185-R189 WeakPolarHBondContact O-CB 3.2Å; Q185-R189 PolarHBondContact O-N 3.42Å; Q185-R189 VanDerWaalsContact O-N 3.12Å; Q185-F198 HydrophobicContact CG-CE2 4.17Å; Q185-F198 HydrophobicContact CG-CZ 4.14Å; Q185-Y206 HydrophobicContact CB-CD1 4.49Å; Q185-Y206 HydrophobicContact CB-CE1 3.72Å; Q185-Y206 HydrophobicContact CG-CE1 3.98Å; Q185-Y206 HydrophobicContact CG-CE2 4.46Å |
| 186 | I | 84.9 | Confident | 81.4 | Confident | 25 Ų | 25 | 31.5 Ų | 31.5 | 13% | 0.128 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -48.8 | 174.3 | -69 | 169.7 | 0 | 0 | 0 | 110 | V182 D183 Y184 R189 K190 F198 K203 | V182-I186 HydrophobicContact CG1-CD1 3.7Å; V182-I186 HydrophobicContact CG1-CG1 4.26Å; V182-I186 VanDerWaalsContact O-CG1 3.31Å; V182-I186 WeakPolarHBondContact O-CG1 3.44Å; V182-I186 PolarHBondContact O-N 3.36Å; D183-I186 PolarHBondContact O-N 2.92Å; Y184-I186 VanDerWaalsContact C-N 3.29Å; Y184-I186 PolarHBondContact O-N 3.09Å; I186-R189 PolarHBondContact O-N 3.35Å; I186-K190 HydrophobicContact CG2-CD 4.22Å; I186-K190 WeakPolarHBondContact O-CG 3.47Å; I186-K190 PolarHBondContact O-N 2.78Å; I186-F198 HydrophobicContact CG1-CD2 3.99Å; I186-F198 HydrophobicContact CG1-CE2 4.47Å; I186-K203 HydrophobicContact CD1-CD 3.77Å; I186-K203 HydrophobicContact CD1-CG 4.07Å |
| 187 | S | 85.4 | Confident | 79.8 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.9 | -41.4 | -175.9 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | N134 D183 Y184 R189 K190 S191 | N134-S187 PolarHBondContact ND2-OG 2.85Å; D183-S187 WeakPolarHBondContact O-CB 3.45Å; D183-S187 PolarHBondContact O-N 2.8Å; D183-S187 PolarHBondContact O-OG 2.84Å; Y184-S187 PolarHBondContact O-N 3.38Å; S187-R189 VanDerWaalsContact C-N 3.3Å; S187-R189 PolarHBondContact O-N 2.9Å; S187-K190 PolarHBondContact O-N 2.59Å; S187-S191 PolarHBondContact O-N 3.1Å |
| 188 | L | 82.3 | Confident | 78.2 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.3 | -45.8 | 172.3 | -178.4 | 67.5 | 0 | 0 | 0 | 110.8 | Y184 S191 L192 F374 I378 | Y184-L188 HydrophobicContact CE1-CD2 4.1Å; Y184-L188 HydrophobicContact CE2-CB 4.36Å; Y184-L188 VanDerWaalsContact O-CB 3.25Å; Y184-L188 WeakPolarHBondContact O-CB 3.34Å; Y184-L188 PolarHBondContact O-N 2.98Å; L188-S191 PolarHBondContact O-N 3.45Å; L188-S191 PolarHBondContact O-OG 3.37Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-F374 HydrophobicContact CD1-CB 3.78Å; L188-F374 HydrophobicContact CD1-CD1 3.33Å; L188-F374 HydrophobicContact CD1-CE1 4.09Å; L188-F374 HydrophobicContact CD1-CG 3.7Å; L188-I378 HydrophobicContact CD1-CD1 3.87Å; L188-I378 HydrophobicContact CD2-CD1 4.27Å; L188-I378 HydrophobicContact CG-CD1 4.2Å |
| 189 | R | 79.3 | Confident | 76.9 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 11% | 0.109 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 178.9 | -173.1 | 169.8 | -177 | 173.7 | -2.7 | 111.9 | Q185 I186 S187 S191 L192 K195 D196 F198 | Q185-R189 VanDerWaalsContact O-CB 3.3Å; Q185-R189 WeakPolarHBondContact O-CB 3.2Å; Q185-R189 PolarHBondContact O-N 3.42Å; Q185-R189 VanDerWaalsContact O-N 3.12Å; I186-R189 PolarHBondContact O-N 3.35Å; S187-R189 VanDerWaalsContact C-N 3.3Å; S187-R189 PolarHBondContact O-N 2.9Å; R189-S191 VanDerWaalsContact C-N 3.3Å; R189-S191 PolarHBondContact O-N 2.91Å; R189-L192 PolarHBondContact O-N 3Å; R189-K195 HydrophobicContact CG-CB 3.57Å; R189-K195 HydrophobicContact CG-CD 3.76Å; R189-K195 HydrophobicContact CG-CG 4.31Å; R189-D196 PolarHBondContact NE-O 3.28Å; R189-D196 PolarHBondContact NH2-O 3.21Å; R189-F198 HydrophobicContact CB-CE2 4.08Å; R189-F198 HydrophobicContact CG-CE2 4.3Å; R189-F198 VanDerWaalsContact NH1-CD1 3.26Å |
| 190 | K | 79.3 | Confident | 76.2 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -33.3 | 177.2 | -74.8 | -174.6 | 172 | -166.8 | 0 | 112.8 | M2 D8 V127 I186 S187 L192 | M2-K190 WeakPolarHBondContact CE-O 3.32Å; D8-K190 IonicContact OD1-NZ 2.73Å; D8-K190 PolarHBondContact OD1-NZ 3.35Å; D8-K190 IonicContact OD2-NZ 2.76Å; D8-K190 PolarHBondContact OD2-NZ 3.16Å; V127-K190 HydrophobicContact CG1-CB 3.85Å; I186-K190 HydrophobicContact CG2-CD 4.22Å; I186-K190 WeakPolarHBondContact O-CG 3.47Å; I186-K190 PolarHBondContact O-N 2.78Å; S187-K190 PolarHBondContact O-N 2.59Å; K190-L192 PolarHBondContact O-N 2.78Å |
| 191 | S | 76.4 | Confident | 75.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.3 | 176.8 | 74.6 | 0 | 0 | 0 | 0 | 114 | S187 L188 R189 F374 | S187-S191 PolarHBondContact O-N 3.1Å; L188-S191 PolarHBondContact O-N 3.45Å; L188-S191 PolarHBondContact O-OG 3.37Å; R189-S191 VanDerWaalsContact C-N 3.3Å; R189-S191 PolarHBondContact O-N 2.91Å; S191-F374 WeakPolarHBondContact OG-CB 3.48Å |
| 192 | L | 74.9 | Confident | 75.6 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -96.7 | 131.6 | -179.3 | -64.8 | 168.2 | 0 | 0 | 0 | 110.4 | L188 R189 K190 D194 K195 Q375 I378 | L188-L192 WeakPolarHBondContact O-CG 3.48Å; R189-L192 PolarHBondContact O-N 3Å; K190-L192 PolarHBondContact O-N 2.78Å; L192-D194 VanDerWaalsContact C-N 3.26Å; L192-D194 PolarHBondContact O-N 3.48Å; L192-K195 HydrophobicContact CB-CG 4.45Å; L192-K195 HydrophobicContact CD1-CD 4.01Å; L192-Q375 HydrophobicContact CD2-CB 4.3Å; L192-I378 HydrophobicContact CD1-CD1 3.7Å; L192-I378 HydrophobicContact CD2-CB 4.44Å; L192-I378 HydrophobicContact CD2-CD1 4.11Å; L192-I378 HydrophobicContact CG-CD1 4.38Å |
| 193 | P | 58.2 | Low | 75.4 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16.5 | -170.4 | 24.7 | -33.4 | 0 | 0 | 0 | 115.6 | M2 | M2-P193 HydrophobicContact CE-CB 4.2Š|
| 194 | D | 58.1 | Low | 75.4 | Confident | 115 Ų | 115 | 54.7 Ų | 54.7 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | 33.4 | -169.1 | -162.5 | 26.5 | 0 | 0 | 0 | 113.1 | L192 | L192-D194 VanDerWaalsContact C-N 3.26Å; L192-D194 PolarHBondContact O-N 3.48Å |
| 195 | K | 55.9 | Low | 75.5 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 17% | 0.17 | 28% | 0.284 | C | S | . | . | trans | -129 | 122.8 | 179.2 | -68.8 | -162.9 | 176.9 | -172.7 | 0 | 113.2 | R189 L192 Y349 | R189-K195 HydrophobicContact CG-CB 3.57Å; R189-K195 HydrophobicContact CG-CD 3.76Å; R189-K195 HydrophobicContact CG-CG 4.31Å; L192-K195 HydrophobicContact CB-CG 4.45Å; L192-K195 HydrophobicContact CD1-CD 4.01Å; K195-Y349 VanDerWaalsContact NZ-CE2 3.31Å; K195-Y349 PolarHBondContact NZ-OH 2.98Å | ||
| 196 | D | 57.2 | Low | 75.8 | Confident | 133 Ų | 133 | 54.4 Ų | 54.4 | 71% | 0.711 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 149.7 | 173.8 | -63.2 | -40.3 | 0 | 0 | 0 | 112.2 | R189 | R189-D196 PolarHBondContact NE-O 3.28Å; R189-D196 PolarHBondContact NH2-O 3.21Å |
| 197 | E | 58.9 | Low | 76.2 | Confident | 93 Ų | 93 | 55.6 Ų | 55.6 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 146.5 | 174.2 | -68.6 | -170.5 | 145.3 | 0 | 0 | 111.4 | H199 | E197-H199 PolarHBondContact O-N 3.04Š|
| 198 | F | 61.2 | Low | 76.6 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 123 | 171.9 | -79.1 | -74.2 | 0 | 0 | 0 | 110.2 | Q185 I186 R189 P202 K203 | Q185-F198 HydrophobicContact CG-CE2 4.17Å; Q185-F198 HydrophobicContact CG-CZ 4.14Å; I186-F198 HydrophobicContact CG1-CD2 3.99Å; I186-F198 HydrophobicContact CG1-CE2 4.47Å; R189-F198 HydrophobicContact CB-CE2 4.08Å; R189-F198 HydrophobicContact CG-CE2 4.3Å; R189-F198 VanDerWaalsContact NH1-CD1 3.26Å; F198-P202 HydrophobicContact CD1-CB 3.7Å; F198-P202 HydrophobicContact CE1-CB 4.33Å; F198-K203 HydrophobicContact CB-CD 4.21Å; F198-K203 HydrophobicContact CB-CG 3.63Å; F198-K203 HydrophobicContact CG-CG 4.3Å; F198-K203 WeakPolarHBondContact O-CE 3.47Å |
| 199 | H | 69 | Low | 77.2 | Confident | 151 Ų | 151 | 58.9 Ų | 58.9 | 70% | 0.699 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 156.1 | 159.5 | -66.9 | -79.2 | 0 | 0 | 0 | 110.6 | E197 L201 P202 K203 | E197-H199 PolarHBondContact O-N 3.04Å; H199-L201 VanDerWaalsContact C-N 3.28Å; H199-L201 PolarHBondContact O-N 3.47Å; H199-P202 HydrophobicContact CB-CG 4.11Å; H199-P202 WeakPolarHBondContact O-CD 3.31Å; H199-K203 PolarHBondContact O-N 2.91Å |
| 200 | V | 78.8 | Confident | 77.9 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 70% | 0.703 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -56.8 | -40.7 | -175.3 | 180 | 0 | 0 | 0 | 0 | 112.1 | K203 L204 | V200-K203 WeakPolarHBondContact O-CB 3.49Å; V200-K203 PolarHBondContact O-N 3.44Å; V200-L204 PolarHBondContact O-N 3.24Å; V200-L204 VanDerWaalsContact O-N 3.09Å |
| 201 | L | 85.1 | Confident | 78.7 | Confident | 103 Ų | 103 | 57.4 Ų | 57.4 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -52 | -178.4 | -177.9 | 69.5 | 0 | 0 | 0 | 113.2 | H199 K203 L204 V205 F344 | H199-L201 VanDerWaalsContact C-N 3.28Å; H199-L201 PolarHBondContact O-N 3.47Å; L201-K203 PolarHBondContact O-N 3.17Å; L201-L204 PolarHBondContact O-N 3.14Å; L201-L204 VanDerWaalsContact O-N 3.15Å; L201-V205 HydrophobicContact CD1-CG2 4.38Å; L201-V205 HydrophobicContact CG-CG2 4.49Å; L201-V205 WeakPolarHBondContact O-CG2 3.48Å; L201-V205 PolarHBondContact O-N 2.71Å; L201-F344 HydrophobicContact CD2-CE1 4Å; L201-F344 HydrophobicContact CD2-CZ 3.71Å; L201-F344 HydrophobicContact CG-CE1 4.27Å; L201-F344 HydrophobicContact CG-CZ 3.96Å |
| 202 | P | 85.6 | Confident | 79.6 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -51.5 | -37.7 | 170.9 | -27.5 | 25.2 | 0 | 0 | 0 | 115.1 | F198 H199 Y206 F344 | F198-P202 HydrophobicContact CD1-CB 3.7Å; F198-P202 HydrophobicContact CE1-CB 4.33Å; H199-P202 HydrophobicContact CB-CG 4.11Å; H199-P202 WeakPolarHBondContact O-CD 3.31Å; P202-Y206 VanDerWaalsContact O-CB 3.27Å; P202-Y206 WeakPolarHBondContact O-CB 3.26Å; P202-Y206 PolarHBondContact O-N 2.89Å; P202-F344 HydrophobicContact CB-CB 4.24Å; P202-F344 HydrophobicContact CB-CD1 4.16Å; P202-F344 HydrophobicContact CB-CG 4.33Å; P202-F344 HydrophobicContact CG-CD1 3.64Å; P202-F344 HydrophobicContact CG-CE1 4.16Å; P202-F344 HydrophobicContact CG-CG 4.3Å |
| 203 | K | 87.3 | Confident | 80.5 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 178.1 | -62.1 | 178 | -179.3 | 171 | 0 | 110.7 | I186 F198 H199 V200 L201 Y206 L207 | I186-K203 HydrophobicContact CD1-CD 3.77Å; I186-K203 HydrophobicContact CD1-CG 4.07Å; F198-K203 HydrophobicContact CB-CD 4.21Å; F198-K203 HydrophobicContact CB-CG 3.63Å; F198-K203 HydrophobicContact CG-CG 4.3Å; F198-K203 WeakPolarHBondContact O-CE 3.47Å; H199-K203 PolarHBondContact O-N 2.91Å; V200-K203 WeakPolarHBondContact O-CB 3.49Å; V200-K203 PolarHBondContact O-N 3.44Å; L201-K203 PolarHBondContact O-N 3.17Å; K203-Y206 PolarHBondContact O-N 3.24Å; K203-L207 WeakPolarHBondContact O-CB 3.22Å; K203-L207 PolarHBondContact O-N 3.15Å |
| 204 | L | 90.5 | Very high | 82.3 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 42% | 0.419 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 179.4 | -178.4 | 149.9 | 0 | 0 | 0 | 111.4 | V200 L201 Y206 L207 F208 | V200-L204 PolarHBondContact O-N 3.24Å; V200-L204 VanDerWaalsContact O-N 3.09Å; L201-L204 PolarHBondContact O-N 3.14Å; L201-L204 VanDerWaalsContact O-N 3.15Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-Y206 PolarHBondContact O-N 3.44Å; L204-L207 WeakPolarHBondContact O-CB 3.31Å; L204-L207 PolarHBondContact O-N 3.3Å; L204-F208 HydrophobicContact CD1-CE2 4.31Å; L204-F208 HydrophobicContact CD2-CD2 3.55Å; L204-F208 HydrophobicContact CD2-CE2 3.53Å; L204-F208 HydrophobicContact CG-CD2 3.93Å; L204-F208 HydrophobicContact CG-CE2 3.7Å; L204-F208 VanDerWaalsContact O-CD2 3.26Å; L204-F208 WeakPolarHBondContact O-CD2 3.34Å; L204-F208 PolarHBondContact O-N 3.08Å |
| 205 | V | 92.1 | Very high | 84.1 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.3 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L201 F208 Y209 F336 V339 Y340 F344 | L201-V205 HydrophobicContact CD1-CG2 4.38Å; L201-V205 HydrophobicContact CG-CG2 4.49Å; L201-V205 WeakPolarHBondContact O-CG2 3.48Å; L201-V205 PolarHBondContact O-N 2.71Å; V205-F208 PolarHBondContact O-N 3.28Å; V205-Y209 WeakPolarHBondContact O-CB 3.35Å; V205-Y209 PolarHBondContact O-N 3.32Å; V205-F336 HydrophobicContact CG1-CD1 4.21Å; V205-V339 HydrophobicContact CG1-CG1 4.19Å; V205-Y340 HydrophobicContact CG1-CD2 4.28Å; V205-F344 HydrophobicContact CB-CD2 4.27Å; V205-F344 HydrophobicContact CB-CE2 4.32Å; V205-F344 HydrophobicContact CG1-CD2 3.98Å; V205-F344 HydrophobicContact CG1-CE2 4.2Å; V205-F344 HydrophobicContact CG2-CD2 4.27Å; V205-F344 HydrophobicContact CG2-CE2 3.82Å; V205-F344 HydrophobicContact CG2-CZ 4.46Å |
| 206 | Y | 90.8 | Very high | 85.9 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 175.8 | -173 | -105.5 | 0 | 0 | 0 | 112.5 | V182 Q185 P202 K203 L204 Y209 K210 Y340 | V182-Y206 HydrophobicContact CB-CD1 4.3Å; V182-Y206 HydrophobicContact CG1-CD1 4.42Å; V182-Y206 HydrophobicContact CG2-CD1 3.71Å; V182-Y206 HydrophobicContact CG2-CE1 4.18Å; Q185-Y206 HydrophobicContact CB-CD1 4.49Å; Q185-Y206 HydrophobicContact CB-CE1 3.72Å; Q185-Y206 HydrophobicContact CG-CE1 3.98Å; Q185-Y206 HydrophobicContact CG-CE2 4.46Å; P202-Y206 VanDerWaalsContact O-CB 3.27Å; P202-Y206 WeakPolarHBondContact O-CB 3.26Å; P202-Y206 PolarHBondContact O-N 2.89Å; K203-Y206 PolarHBondContact O-N 3.24Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-Y206 PolarHBondContact O-N 3.44Å; Y206-Y209 AromaticContact CD2-CD1 3.62Å; Y206-Y209 HydrophobicContact CD2-CD1 3.62Å; Y206-Y209 AromaticContact CD2-CE1 3.85Å; Y206-Y209 HydrophobicContact CD2-CE1 3.85Å; Y206-Y209 AromaticContact CE2-CD1 3.87Å; Y206-Y209 HydrophobicContact CE2-CD1 3.87Å; Y206-Y209 AromaticContact CE2-CE1 3.62Å; Y206-Y209 HydrophobicContact CE2-CE1 3.62Å; Y206-Y209 HydrophobicContact CG-CD1 4.39Å; Y206-Y209 PolarHBondContact O-N 3.47Å; Y206-K210 HydrophobicContact CD1-CG 4.39Å; Y206-K210 HydrophobicContact CE1-CG 3.95Å; Y206-K210 HydrophobicContact CE2-CG 4.28Å; Y206-K210 PolarHBondContact O-N 2.99Å; Y206-K210 WeakPolarHBondContact OH-CE 3.11Å; Y206-Y340 HydrophobicContact CD2-CD1 4.14Å; Y206-Y340 HydrophobicContact CD2-CD2 4.11Å; Y206-Y340 AromaticContact CD2-CE1 3.65Å; Y206-Y340 HydrophobicContact CD2-CE1 3.65Å; Y206-Y340 AromaticContact CD2-CE2 3.64Å; Y206-Y340 HydrophobicContact CD2-CE2 3.64Å; Y206-Y340 HydrophobicContact CD2-CG 4.35Å; Y206-Y340 AromaticContact CD2-CZ 3.37Å; Y206-Y340 HydrophobicContact CE2-CE1 4.07Å; Y206-Y340 HydrophobicContact CG-CE2 4.03Å |
| 207 | L | 94.1 | Very high | 87.8 | Confident | 50 Ų | 50 | 42.7 Ų | 42.7 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.2 | -52.4 | 175.2 | 178.2 | 66.2 | 0 | 0 | 0 | 111.1 | V179 V182 K203 L204 Y209 K210 L211 | V179-L207 HydrophobicContact CG2-CD1 4.01Å; V182-L207 HydrophobicContact CG2-CB 3.92Å; V182-L207 HydrophobicContact CG2-CD1 3.77Å; V182-L207 HydrophobicContact CG2-CG 4.47Å; K203-L207 WeakPolarHBondContact O-CB 3.22Å; K203-L207 PolarHBondContact O-N 3.15Å; L204-L207 WeakPolarHBondContact O-CB 3.31Å; L204-L207 PolarHBondContact O-N 3.3Å; L207-Y209 PolarHBondContact O-N 3.09Å; L207-K210 PolarHBondContact O-N 3.31Å; L207-L211 VanDerWaalsContact O-CB 3.27Å; L207-L211 WeakPolarHBondContact O-CB 3.16Å; L207-L211 PolarHBondContact O-N 3.03Å |
| 208 | F | 94.9 | Very high | 89.5 | Confident | 81 Ų | 81 | 38.2 Ų | 38.2 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 179.1 | -79.1 | -67.6 | 0 | 0 | 0 | 112.4 | L204 V205 L211 L212 F336 | L204-F208 HydrophobicContact CD1-CE2 4.31Å; L204-F208 HydrophobicContact CD2-CD2 3.55Å; L204-F208 HydrophobicContact CD2-CE2 3.53Å; L204-F208 HydrophobicContact CG-CD2 3.93Å; L204-F208 HydrophobicContact CG-CE2 3.7Å; L204-F208 VanDerWaalsContact O-CD2 3.26Å; L204-F208 WeakPolarHBondContact O-CD2 3.34Å; L204-F208 PolarHBondContact O-N 3.08Å; V205-F208 PolarHBondContact O-N 3.28Å; F208-L211 PolarHBondContact O-N 3.48Å; F208-L212 HydrophobicContact CB-CD1 4.47Å; F208-L212 VanDerWaalsContact O-CB 3.31Å; F208-L212 WeakPolarHBondContact O-CB 3.45Å; F208-L212 WeakPolarHBondContact O-CD1 3.5Å; F208-L212 VanDerWaalsContact O-CG 3.23Å; F208-L212 WeakPolarHBondContact O-CG 3.25Å; F208-L212 PolarHBondContact O-N 2.9Å; F208-F336 HydrophobicContact CB-CD1 3.9Å; F208-F336 HydrophobicContact CB-CD2 4.15Å; F208-F336 HydrophobicContact CB-CE1 3.89Å; F208-F336 HydrophobicContact CB-CE2 4.14Å; F208-F336 HydrophobicContact CB-CG 4.05Å; F208-F336 HydrophobicContact CB-CZ 4.01Å; F208-F336 HydrophobicContact CD2-CE1 4.46Å; F208-F336 HydrophobicContact CG-CE1 4.37Å; F208-F336 HydrophobicContact CG-CZ 4.26Å |
| 209 | Y | 93 | Very high | 91 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.9 | -53.3 | 172 | 149.4 | -125 | 0 | 0 | 0 | 111.6 | V205 Y206 L207 T213 Y292 L337 Y341 | V205-Y209 WeakPolarHBondContact O-CB 3.35Å; V205-Y209 PolarHBondContact O-N 3.32Å; Y206-Y209 AromaticContact CD2-CD1 3.62Å; Y206-Y209 HydrophobicContact CD2-CD1 3.62Å; Y206-Y209 AromaticContact CD2-CE1 3.85Å; Y206-Y209 HydrophobicContact CD2-CE1 3.85Å; Y206-Y209 AromaticContact CE2-CD1 3.87Å; Y206-Y209 HydrophobicContact CE2-CD1 3.87Å; Y206-Y209 AromaticContact CE2-CE1 3.62Å; Y206-Y209 HydrophobicContact CE2-CE1 3.62Å; Y206-Y209 HydrophobicContact CG-CD1 4.39Å; Y206-Y209 PolarHBondContact O-N 3.47Å; L207-Y209 PolarHBondContact O-N 3.09Å; Y209-T213 HydrophobicContact CD2-CG2 3.81Å; Y209-T213 HydrophobicContact CE2-CG2 3.9Å; Y209-T213 WeakPolarHBondContact O-CB 3.42Å; Y209-T213 WeakPolarHBondContact O-CG2 3.19Å; Y209-T213 PolarHBondContact O-N 2.83Å; Y209-T213 VanDerWaalsContact O-N 3.08Å; Y209-T213 PolarHBondContact O-OG1 3.38Å; Y209-Y292 HydrophobicContact CE2-CE1 4.06Å; Y209-Y292 HydrophobicContact CE2-CE2 4.19Å; Y209-Y292 AromaticContact CE2-CZ 3.66Å; Y209-Y292 AromaticContact CZ-CZ 3.77Å; Y209-Y292 WeakPolarHBondContact OH-CE2 2.82Å; Y209-Y292 PolarHBondContact OH-OH 3Å; Y209-L337 HydrophobicContact CD2-CB 3.71Å; Y209-L337 HydrophobicContact CD2-CD1 3.91Å; Y209-L337 HydrophobicContact CD2-CG 4.41Å; Y209-L337 HydrophobicContact CE1-CD1 4.38Å; Y209-L337 HydrophobicContact CE2-CB 3.9Å; Y209-L337 HydrophobicContact CE2-CD1 3.26Å; Y209-L337 HydrophobicContact CE2-CG 4.1Å; Y209-L337 VanDerWaalsContact CZ-CD1 3.5Å; Y209-Y341 HydrophobicContact CE1-CE2 4.42Å |
| 210 | K | 94 | Very high | 92.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | -178.8 | -74.1 | -57.8 | -166.8 | 178.8 | 0 | 111.8 | M181 Y206 L207 T213 I214 T275 F276 Y292 | M181-K210 HydrophobicContact CB-CG 4.34Å; Y206-K210 HydrophobicContact CD1-CG 4.39Å; Y206-K210 HydrophobicContact CE1-CG 3.95Å; Y206-K210 HydrophobicContact CE2-CG 4.28Å; Y206-K210 PolarHBondContact O-N 2.99Å; Y206-K210 WeakPolarHBondContact OH-CE 3.11Å; L207-K210 PolarHBondContact O-N 3.31Å; K210-T213 PolarHBondContact O-OG1 3.47Å; K210-I214 HydrophobicContact CB-CD1 4.43Å; K210-I214 VanDerWaalsContact O-CB 3.23Å; K210-I214 WeakPolarHBondContact O-CB 3.11Å; K210-I214 WeakPolarHBondContact O-CD1 3.41Å; K210-I214 WeakPolarHBondContact O-CG1 3.34Å; K210-I214 PolarHBondContact O-N 2.97Å; K210-T275 PolarHBondContact NZ-OG1 3.35Å; K210-F276 PolarHBondContact NZ-O 3.44Å; K210-Y292 PolarHBondContact NZ-OH 3.21Å |
| 211 | L | 96.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 25.5 Ų | 25.5 | 17% | 0.173 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.9 | -56.6 | 176.7 | -178.9 | 64.4 | 0 | 0 | 0 | 111.6 | F174 S178 L207 F208 T213 I214 T215 | F174-L211 HydrophobicContact CB-CD1 3.89Å; S178-L211 WeakPolarHBondContact OG-CA 3.25Å; S178-L211 WeakPolarHBondContact OG-CB 3.42Å; S178-L211 WeakPolarHBondContact OG-CD1 3.31Å; S178-L211 PolarHBondContact OG-N 3.43Å; L207-L211 VanDerWaalsContact O-CB 3.27Å; L207-L211 WeakPolarHBondContact O-CB 3.16Å; L207-L211 PolarHBondContact O-N 3.03Å; F208-L211 PolarHBondContact O-N 3.48Å; L211-T213 PolarHBondContact O-N 2.97Å; L211-I214 PolarHBondContact O-N 3.47Å; L211-T215 VanDerWaalsContact O-CB 3.31Å; L211-T215 WeakPolarHBondContact O-CB 3.23Å; L211-T215 PolarHBondContact O-N 2.9Å; L211-T215 PolarHBondContact O-OG1 3.43Å |
| 212 | L | 96.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 20.9 Ų | 20.9 | 15% | 0.147 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.9 | -37 | -173.2 | -66.3 | 167.4 | 0 | 0 | 0 | 112.8 | F208 S216 S329 L332 F336 | F208-L212 HydrophobicContact CB-CD1 4.47Å; F208-L212 VanDerWaalsContact O-CB 3.31Å; F208-L212 WeakPolarHBondContact O-CB 3.45Å; F208-L212 WeakPolarHBondContact O-CD1 3.5Å; F208-L212 VanDerWaalsContact O-CG 3.23Å; F208-L212 WeakPolarHBondContact O-CG 3.25Å; F208-L212 PolarHBondContact O-N 2.9Å; L212-S216 PolarHBondContact O-N 3.32Å; L212-S216 PolarHBondContact O-OG 3Å; L212-S329 WeakPolarHBondContact CB-O 3.2Å; L212-L332 HydrophobicContact CD1-CB 3.71Å; L212-F336 HydrophobicContact CD1-CD2 3.49Å; L212-F336 VanDerWaalsContact CD1-CD2 3.49Å; L212-F336 HydrophobicContact CD1-CE2 3.8Å; L212-F336 HydrophobicContact CD1-CG 4.5Å |
| 213 | T | 94.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 20.3 Ų | 20.3 | 7% | 0.067 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.8 | -36.5 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | Y209 K210 L211 S216 W217 Y292 | Y209-T213 HydrophobicContact CD2-CG2 3.81Å; Y209-T213 HydrophobicContact CE2-CG2 3.9Å; Y209-T213 WeakPolarHBondContact O-CB 3.42Å; Y209-T213 WeakPolarHBondContact O-CG2 3.19Å; Y209-T213 PolarHBondContact O-N 2.83Å; Y209-T213 VanDerWaalsContact O-N 3.08Å; Y209-T213 PolarHBondContact O-OG1 3.38Å; K210-T213 PolarHBondContact O-OG1 3.47Å; L211-T213 PolarHBondContact O-N 2.97Å; T213-S216 PolarHBondContact O-OG 3.31Å; T213-S216 VanDerWaalsContact O-OG 3.05Å; T213-W217 WeakPolarHBondContact O-CB 3.33Å; T213-W217 PolarHBondContact O-N 3.08Å; T213-Y292 HydrophobicContact CG2-CD1 4.47Å; T213-Y292 HydrophobicContact CG2-CE1 4Å |
| 214 | I | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -72.1 | -41.3 | 174.8 | -68.3 | 169.8 | 0 | 0 | 0 | 110.4 | F174 I177 K210 L211 W217 I218 | F174-I214 HydrophobicContact CD1-CG2 4.46Å; I177-I214 HydrophobicContact CG2-CD1 3.9Å; I177-I214 HydrophobicContact CG2-CG2 4.22Å; K210-I214 HydrophobicContact CB-CD1 4.43Å; K210-I214 VanDerWaalsContact O-CB 3.23Å; K210-I214 WeakPolarHBondContact O-CB 3.11Å; K210-I214 WeakPolarHBondContact O-CD1 3.41Å; K210-I214 WeakPolarHBondContact O-CG1 3.34Å; K210-I214 PolarHBondContact O-N 2.97Å; L211-I214 PolarHBondContact O-N 3.47Å; I214-W217 PolarHBondContact O-N 3.15Å; I214-I218 HydrophobicContact CG2-CD1 3.56Å; I214-I218 HydrophobicContact CG2-CG1 4.15Å; I214-I218 WeakPolarHBondContact O-CB 2.97Å; I214-I218 WeakPolarHBondContact O-CG1 2.99Å; I214-I218 PolarHBondContact O-N 3.31Å |
| 215 | T | 95.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 15.7 Ų | 15.7 | 14% | 0.141 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.5 | -53.5 | 176.8 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | F174 L211 W217 I218 L219 | F174-T215 WeakPolarHBondContact CD1-OG1 3.38Å; F174-T215 HydrophobicContact CE1-CG2 4.33Å; F174-T215 HydrophobicContact CZ-CG2 4.3Å; L211-T215 VanDerWaalsContact O-CB 3.31Å; L211-T215 WeakPolarHBondContact O-CB 3.23Å; L211-T215 PolarHBondContact O-N 2.9Å; L211-T215 PolarHBondContact O-OG1 3.43Å; T215-W217 PolarHBondContact O-N 3.38Å; T215-I218 PolarHBondContact O-N 2.95Å; T215-L219 HydrophobicContact CG2-CD1 3.73Å; T215-L219 HydrophobicContact CG2-CG 4.21Å; T215-L219 WeakPolarHBondContact O-CB 3.28Å; T215-L219 VanDerWaalsContact O-CG 3.25Å; T215-L219 WeakPolarHBondContact O-CG 3.32Å; T215-L219 PolarHBondContact O-N 3.28Å |
| 216 | S | 95.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 3% | 0.028 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.1 | -41.2 | 178.1 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | L212 T213 S220 T326 S329 | L212-S216 PolarHBondContact O-N 3.32Å; L212-S216 PolarHBondContact O-OG 3Å; T213-S216 PolarHBondContact O-OG 3.31Å; T213-S216 VanDerWaalsContact O-OG 3.05Å; S216-S220 WeakPolarHBondContact O-CB 3.17Å; S216-S220 PolarHBondContact O-N 2.75Å; S216-S220 PolarHBondContact O-OG 3.08Å; S216-T326 WeakPolarHBondContact O-CG2 3.28Å; S216-S329 VanDerWaalsContact CA-OG 3.27Å; S216-S329 WeakPolarHBondContact CA-OG 3.5Å; S216-S329 VanDerWaalsContact CB-OG 3.3Å; S216-S329 WeakPolarHBondContact CB-OG 3.38Å; S216-S329 PolarHBondContact N-OG 3.34Å |
| 217 | W | 95.4 | Very high | 93 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.015 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -71.3 | -44.3 | -178.7 | -176.6 | -113.2 | 0 | 0 | 0 | 114.1 | T213 I214 T215 S220 I221 L239 I273 H295 V298 | T213-W217 WeakPolarHBondContact O-CB 3.33Å; T213-W217 PolarHBondContact O-N 3.08Å; I214-W217 PolarHBondContact O-N 3.15Å; T215-W217 PolarHBondContact O-N 3.38Å; W217-S220 PolarHBondContact O-N 2.72Å; W217-S220 PolarHBondContact O-OG 3.5Å; W217-I221 HydrophobicContact CD2-CD1 4.16Å; W217-I221 HydrophobicContact CG-CD1 4.36Å; W217-I221 HydrophobicContact CZ2-CD1 3.69Å; W217-I221 HydrophobicContact CZ2-CG1 4.07Å; W217-I221 PolarHBondContact O-N 3.27Å; W217-L239 HydrophobicContact CH2-CD1 3.76Å; W217-L239 HydrophobicContact CZ2-CD1 3.45Å; W217-L239 VanDerWaalsContact CZ2-CD1 3.45Å; W217-I273 PolarHBondContact NE1-O 2.91Å; W217-H295 AromaticContact CD2-CE1 3.91Å; W217-H295 AromaticContact CD2-ND1 3.4Å; W217-H295 AromaticContact CE2-CE1 3.6Å; W217-H295 AromaticContact CE2-ND1 3.57Å; W217-H295 HydrophobicContact CE3-CB 4.46Å; W217-H295 AromaticContact CE3-ND1 3.51Å; W217-H295 AromaticContact CG-ND1 3.94Å; W217-H295 AromaticContact CZ2-CE1 3.81Å; W217-H295 AromaticContact CZ2-ND1 3.91Å; W217-H295 AromaticContact CZ3-ND1 3.82Å; W217-H295 AromaticContact NE1-CE1 3.85Å; W217-V298 HydrophobicContact CH2-CB 4.1Å; W217-V298 HydrophobicContact CH2-CG1 3.63Å; W217-V298 HydrophobicContact CZ3-CB 4Å; W217-V298 HydrophobicContact CZ3-CG1 3.84Å |
| 218 | I | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.2 | -39.9 | 178.1 | -69.3 | -179 | 0 | 0 | 0 | 110.5 | T146 L149 F150 I153 F174 I177 I214 T215 I221 S222 | T146-I218 HydrophobicContact CG2-CD1 3.9Å; L149-I218 HydrophobicContact CD2-CD1 3.93Å; L149-I218 HydrophobicContact CD2-CG2 4.39Å; L149-I218 HydrophobicContact CG-CG2 4.47Å; F150-I218 HydrophobicContact CD1-CG2 4.24Å; F150-I218 HydrophobicContact CE1-CB 4.32Å; F150-I218 HydrophobicContact CE1-CG2 3.76Å; F150-I218 WeakPolarHBondContact CE1-O 3.28Å; F150-I218 HydrophobicContact CE2-CG1 4.18Å; F150-I218 HydrophobicContact CE2-CG2 4.31Å; F150-I218 HydrophobicContact CZ-CB 4.04Å; F150-I218 HydrophobicContact CZ-CG1 3.87Å; F150-I218 HydrophobicContact CZ-CG2 3.82Å; I153-I218 HydrophobicContact CD1-CG2 3.63Å; F174-I218 HydrophobicContact CE1-CB 3.83Å; F174-I218 HydrophobicContact CE1-CD1 3.85Å; F174-I218 HydrophobicContact CE1-CG1 4.32Å; F174-I218 HydrophobicContact CE1-CG2 3.98Å; F174-I218 HydrophobicContact CZ-CB 4.06Å; F174-I218 HydrophobicContact CZ-CG2 3.83Å; I177-I218 HydrophobicContact CD1-CD1 4.39Å; I214-I218 HydrophobicContact CG2-CD1 3.56Å; I214-I218 HydrophobicContact CG2-CG1 4.15Å; I214-I218 WeakPolarHBondContact O-CB 2.97Å; I214-I218 WeakPolarHBondContact O-CG1 2.99Å; I214-I218 PolarHBondContact O-N 3.31Å; T215-I218 PolarHBondContact O-N 2.95Å; I218-I221 PolarHBondContact O-N 2.97Å; I218-S222 WeakPolarHBondContact O-CB 3.32Å; I218-S222 PolarHBondContact O-N 2.83Å; I218-S222 PolarHBondContact O-OG 2.9Å |
| 219 | L | 93.8 | Very high | 92.4 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 176.1 | -67.3 | 179.9 | 0 | 0 | 0 | 111.6 | I153 F174 T215 S222 L223 V322 L325 T326 | I153-L219 HydrophobicContact CD1-CD2 4.37Å; F174-L219 HydrophobicContact CZ-CD2 4.43Å; F174-L219 HydrophobicContact CZ-CG 4.5Å; T215-L219 HydrophobicContact CG2-CD1 3.73Å; T215-L219 HydrophobicContact CG2-CG 4.21Å; T215-L219 WeakPolarHBondContact O-CB 3.28Å; T215-L219 VanDerWaalsContact O-CG 3.25Å; T215-L219 WeakPolarHBondContact O-CG 3.32Å; T215-L219 PolarHBondContact O-N 3.28Å; L219-S222 WeakPolarHBondContact O-CB 3.39Å; L219-S222 PolarHBondContact O-N 3.48Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 2.74Å; L219-V322 HydrophobicContact CB-CG1 4.28Å; L219-V322 HydrophobicContact CD2-CG1 4.2Å; L219-L325 HydrophobicContact CD1-CB 4.09Å; L219-T326 VanDerWaalsContact CB-OG1 3.28Å; L219-T326 WeakPolarHBondContact CB-OG1 3.42Å |
| 220 | S | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -44.2 | 176.8 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | S216 W217 S222 L223 I224 I302 | S216-S220 WeakPolarHBondContact O-CB 3.17Å; S216-S220 PolarHBondContact O-N 2.75Å; S216-S220 PolarHBondContact O-OG 3.08Å; W217-S220 PolarHBondContact O-N 2.72Å; W217-S220 PolarHBondContact O-OG 3.5Å; S220-S222 PolarHBondContact O-N 2.9Å; S220-L223 WeakPolarHBondContact O-CB 3.36Å; S220-L223 PolarHBondContact O-N 2.7Å; S220-I224 PolarHBondContact O-N 3.42Å; S220-I224 VanDerWaalsContact O-N 3.11Å; S220-I302 WeakPolarHBondContact O-CG2 3.28Å |
| 221 | I | 93.3 | Very high | 92 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -37.7 | 172.7 | -68.7 | 164.1 | 0 | 0 | 0 | 110.8 | F150 W217 I218 I224 T225 L236 | F150-I221 HydrophobicContact CD1-CG2 4.1Å; F150-I221 HydrophobicContact CE1-CB 3.52Å; F150-I221 HydrophobicContact CE1-CD1 4.43Å; F150-I221 HydrophobicContact CE1-CG2 3.32Å; F150-I221 HydrophobicContact CZ-CB 3.84Å; F150-I221 HydrophobicContact CZ-CD1 3.86Å; F150-I221 HydrophobicContact CZ-CG1 4.49Å; F150-I221 HydrophobicContact CZ-CG2 3.74Å; W217-I221 HydrophobicContact CD2-CD1 4.16Å; W217-I221 HydrophobicContact CG-CD1 4.36Å; W217-I221 HydrophobicContact CZ2-CD1 3.69Å; W217-I221 HydrophobicContact CZ2-CG1 4.07Å; W217-I221 PolarHBondContact O-N 3.27Å; I218-I221 PolarHBondContact O-N 2.97Å; I221-I224 WeakPolarHBondContact O-CG2 3.42Å; I221-I224 PolarHBondContact O-N 2.68Å; I221-T225 WeakPolarHBondContact O-CB 3.32Å; I221-T225 PolarHBondContact O-N 3.44Å; I221-T225 PolarHBondContact O-OG1 3.06Å; I221-L236 HydrophobicContact CD1-CD2 3.85Å; I221-L236 HydrophobicContact CG1-CD2 4.47Å; I221-L236 HydrophobicContact CG2-CD1 4.41Å; I221-L236 HydrophobicContact CG2-CD2 4.25Å |
| 222 | S | 91.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.9 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | I218 L219 S220 T225 L226 | I218-S222 WeakPolarHBondContact O-CB 3.32Å; I218-S222 PolarHBondContact O-N 2.83Å; I218-S222 PolarHBondContact O-OG 2.9Å; L219-S222 WeakPolarHBondContact O-CB 3.39Å; L219-S222 PolarHBondContact O-N 3.48Å; S220-S222 PolarHBondContact O-N 2.9Å; S222-T225 WeakPolarHBondContact O-CB 3.39Å; S222-T225 PolarHBondContact O-N 3.26Å; S222-L226 WeakPolarHBondContact O-CG 3.37Å; S222-L226 PolarHBondContact O-N 3.49Å; S222-L226 VanDerWaalsContact O-N 3.08Å |
| 223 | L | 89.5 | Confident | 91.7 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 175.8 | -72.7 | 171.3 | 0 | 0 | 0 | 112.4 | M157 L219 S220 T225 L226 L227 I302 L303 F319 V322 | M157-L223 HydrophobicContact CE-CD2 4.35Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 2.74Å; S220-L223 WeakPolarHBondContact O-CB 3.36Å; S220-L223 PolarHBondContact O-N 2.7Å; L223-T225 VanDerWaalsContact C-N 3.3Å; L223-T225 PolarHBondContact O-N 3.01Å; L223-L226 PolarHBondContact O-N 2.97Å; L223-L227 PolarHBondContact O-N 2.92Å; L223-I302 HydrophobicContact CB-CG2 4.48Å; L223-L303 HydrophobicContact CD1-CD2 3.94Å; L223-F319 HydrophobicContact CD2-CD1 3.96Å; L223-V322 HydrophobicContact CD1-CG1 4.23Å; L223-V322 HydrophobicContact CD2-CB 4.24Å; L223-V322 HydrophobicContact CD2-CG1 3.75Å; L223-V322 HydrophobicContact CG-CG1 3.89Å |
| 224 | I | 90.4 | Very high | 91.7 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 9% | 0.092 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 177.5 | -171.2 | 63.6 | 0 | 0 | 0 | 112.1 | S220 I221 L226 L227 S228 L235 I302 V305 | S220-I224 PolarHBondContact O-N 3.42Å; S220-I224 VanDerWaalsContact O-N 3.11Å; I221-I224 WeakPolarHBondContact O-CG2 3.42Å; I221-I224 PolarHBondContact O-N 2.68Å; I224-L226 VanDerWaalsContact C-N 3.3Å; I224-L226 PolarHBondContact O-N 3.33Å; I224-L227 HydrophobicContact CD1-CB 4.48Å; I224-L227 HydrophobicContact CD1-CD2 4.13Å; I224-L227 PolarHBondContact O-N 2.93Å; I224-S228 CarbonylContact O-C 3.52Å; I224-S228 PolarHBondContact O-N 2.99Å; I224-L235 HydrophobicContact CG2-CD2 4.45Å; I224-I302 HydrophobicContact CB-CG1 4.37Å; I224-I302 HydrophobicContact CB-CG2 3.88Å; I224-I302 HydrophobicContact CG2-CD1 4.24Å; I224-I302 HydrophobicContact CG2-CG1 4.5Å; I224-I302 HydrophobicContact CG2-CG2 4.45Å; I224-V305 HydrophobicContact CD1-CG1 4.47Å |
| 225 | T | 89.9 | Confident | 91.6 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 17% | 0.172 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | Y154 I221 S222 L223 S228 V229 S232 | Y154-T225 HydrophobicContact CD2-CG2 4.23Å; I221-T225 WeakPolarHBondContact O-CB 3.32Å; I221-T225 PolarHBondContact O-N 3.44Å; I221-T225 PolarHBondContact O-OG1 3.06Å; S222-T225 WeakPolarHBondContact O-CB 3.39Å; S222-T225 PolarHBondContact O-N 3.26Å; L223-T225 VanDerWaalsContact C-N 3.3Å; L223-T225 PolarHBondContact O-N 3.01Å; T225-S228 CarbonylContact O-C 3.47Å; T225-V229 HydrophobicContact CG2-CG2 4.26Å; T225-V229 PolarHBondContact O-N 2.92Å; T225-S232 VanDerWaalsContact OG1-CB 3.27Å; T225-S232 WeakPolarHBondContact OG1-CB 3.45Å; T225-S232 PolarHBondContact OG1-OG 3.46Å |
| 226 | L | 86.3 | Confident | 91.6 | Very high | 47 Ų | 47 | 41.4 Ų | 41.4 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.5 | -31.1 | 176.9 | -70.9 | 166.8 | 0 | 0 | 0 | 112.9 | Y154 M157 S222 L223 I224 F319 | Y154-L226 HydrophobicContact CD2-CD2 3.72Å; Y154-L226 HydrophobicContact CD2-CG 4.42Å; Y154-L226 HydrophobicContact CE2-CD2 3.73Å; M157-L226 HydrophobicContact CB-CD1 3.71Å; M157-L226 HydrophobicContact CB-CD2 4.33Å; M157-L226 HydrophobicContact CE-CD1 3.17Å; M157-L226 HydrophobicContact CG-CD1 4.09Å; M157-L226 HydrophobicContact SD-CD1 3.3Å; M157-L226 WeakPolarHBondContact SD-CD1 3.3Å; S222-L226 WeakPolarHBondContact O-CG 3.37Å; S222-L226 PolarHBondContact O-N 3.49Å; S222-L226 VanDerWaalsContact O-N 3.08Å; L223-L226 PolarHBondContact O-N 2.97Å; I224-L226 VanDerWaalsContact C-N 3.3Å; I224-L226 PolarHBondContact O-N 3.33Å; L226-F319 HydrophobicContact CB-CE1 3.85Å; L226-F319 HydrophobicContact CB-CZ 4.24Å; L226-F319 HydrophobicContact CD1-CD1 4.45Å; L226-F319 HydrophobicContact CD1-CE1 3.52Å; L226-F319 HydrophobicContact CD1-CZ 4.14Å; L226-F319 HydrophobicContact CG-CE1 4.27Å |
| 227 | L | 85.6 | Confident | 91.6 | Very high | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.277 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -72.3 | -46.6 | 172.8 | -175.4 | 65.8 | 0 | 0 | 0 | 111.6 | L223 I224 V305 W309 | L223-L227 PolarHBondContact O-N 2.92Å; I224-L227 HydrophobicContact CD1-CB 4.48Å; I224-L227 HydrophobicContact CD1-CD2 4.13Å; I224-L227 PolarHBondContact O-N 2.93Å; L227-V305 HydrophobicContact CD2-CG1 3.68Å; L227-W309 HydrophobicContact CD1-CB 4.22Å; L227-W309 HydrophobicContact CD2-CB 4.22Å |
| 228 | S | 88.1 | Confident | 91.6 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | trans | -160 | 110.4 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | I224 T225 R230 S231 S232 | I224-S228 CarbonylContact O-C 3.52Å; I224-S228 PolarHBondContact O-N 2.99Å; T225-S228 CarbonylContact O-C 3.47Å; S228-R230 PolarHBondContact O-N 3.39Å; S228-S231 PolarHBondContact O-N 3.48Å; S228-S231 VanDerWaalsContact O-N 3.16Å; S228-S231 PolarHBondContact OG-N 3.28Å; S228-S231 PolarHBondContact OG-OG 2.99Å; S228-S231 VanDerWaalsContact OG-OG 3.14Å; S228-S232 PolarHBondContact O-N 3.11Å | ||
| 229 | V | 88.7 | Confident | 91.6 | Very high | 80 Ų | 80 | 50.5 Ų | 50.5 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55 | -38.7 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | T225 S232 V233 | T225-V229 HydrophobicContact CG2-CG2 4.26Å; T225-V229 PolarHBondContact O-N 2.92Å; V229-S232 PolarHBondContact O-N 3.41Å; V229-V233 HydrophobicContact CG1-CG2 4.33Å; V229-V233 WeakPolarHBondContact O-CG2 3.42Å; V229-V233 PolarHBondContact O-N 3.11Å |
| 230 | R | 90.4 | Very high | 91.7 | Very high | 213 Ų | 213 | 53.3 Ų | 53.3 | 80% | 0.804 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -67.2 | -40.8 | -179.2 | -172.2 | 161.4 | 173 | 84.6 | -2.7 | 112.3 | S228 F234 | S228-R230 PolarHBondContact O-N 3.39Å; R230-F234 WeakPolarHBondContact O-CB 3.28Å; R230-F234 PolarHBondContact O-N 3.16Å |
| 231 | S | 89 | Confident | 91.7 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 42% | 0.42 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | S228 F234 L235 | S228-S231 PolarHBondContact O-N 3.48Å; S228-S231 VanDerWaalsContact O-N 3.16Å; S228-S231 PolarHBondContact OG-N 3.28Å; S228-S231 PolarHBondContact OG-OG 2.99Å; S228-S231 VanDerWaalsContact OG-OG 3.14Å; S231-F234 PolarHBondContact O-N 3.19Å; S231-L235 WeakPolarHBondContact O-CB 3.49Å; S231-L235 PolarHBondContact O-N 3.4Å |
| 232 | S | 91.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -47.9 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | T225 S228 V229 F234 L235 L236 | T225-S232 VanDerWaalsContact OG1-CB 3.27Å; T225-S232 WeakPolarHBondContact OG1-CB 3.45Å; T225-S232 PolarHBondContact OG1-OG 3.46Å; S228-S232 PolarHBondContact O-N 3.11Å; V229-S232 PolarHBondContact O-N 3.41Å; S232-F234 VanDerWaalsContact C-N 3.33Å; S232-F234 PolarHBondContact O-N 3.42Å; S232-L235 WeakPolarHBondContact O-CB 3.39Å; S232-L235 PolarHBondContact O-N 3.07Å; S232-L236 WeakPolarHBondContact O-CG 3.31Å; S232-L236 PolarHBondContact O-N 3.11Å |
| 233 | V | 93.2 | Very high | 91.7 | Very high | 72 Ų | 72 | 59.2 Ų | 59.2 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | V229 L235 L236 I237 | V229-V233 HydrophobicContact CG1-CG2 4.33Å; V229-V233 WeakPolarHBondContact O-CG2 3.42Å; V229-V233 PolarHBondContact O-N 3.11Å; V233-L235 PolarHBondContact O-N 3.11Å; V233-L236 PolarHBondContact O-N 3.43Å; V233-I237 HydrophobicContact CG1-CD1 3.72Å; V233-I237 HydrophobicContact CG1-CG1 4.42Å; V233-I237 VanDerWaalsContact O-CG1 3.28Å; V233-I237 WeakPolarHBondContact O-CG1 3.42Å; V233-I237 PolarHBondContact O-N 2.95Å |
| 234 | F | 95.1 | Very high | 91.8 | Very high | 141 Ų | 141 | 61 Ų | 61 | 62% | 0.618 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 175.9 | 179.2 | -98.2 | 0 | 0 | 0 | 112.1 | R230 S231 S232 I237 L238 | R230-F234 WeakPolarHBondContact O-CB 3.28Å; R230-F234 PolarHBondContact O-N 3.16Å; S231-F234 PolarHBondContact O-N 3.19Å; S232-F234 VanDerWaalsContact C-N 3.33Å; S232-F234 PolarHBondContact O-N 3.42Å; F234-I237 PolarHBondContact O-N 3.33Å; F234-L238 HydrophobicContact CE1-CD1 4.14Å; F234-L238 HydrophobicContact CZ-CD1 4.3Å; F234-L238 WeakPolarHBondContact O-CB 3.33Å; F234-L238 PolarHBondContact O-N 2.91Å |
| 235 | L | 93.9 | Very high | 91.9 | Very high | 31 Ų | 31 | 63.5 Ų | 63.5 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 176.8 | 177.7 | 64.8 | 0 | 0 | 0 | 111.7 | I224 S231 S232 V233 I237 L238 L239 V298 I302 | I224-L235 HydrophobicContact CG2-CD2 4.45Å; S231-L235 WeakPolarHBondContact O-CB 3.49Å; S231-L235 PolarHBondContact O-N 3.4Å; S232-L235 WeakPolarHBondContact O-CB 3.39Å; S232-L235 PolarHBondContact O-N 3.07Å; V233-L235 PolarHBondContact O-N 3.11Å; L235-I237 PolarHBondContact O-N 3.04Å; L235-L238 PolarHBondContact O-N 2.85Å; L235-L239 HydrophobicContact CD1-CD1 4.04Å; L235-L239 HydrophobicContact CD1-CG 4.15Å; L235-L239 HydrophobicContact CG-CD1 3.93Å; L235-L239 HydrophobicContact CG-CG 4.43Å; L235-L239 WeakPolarHBondContact O-CB 3.23Å; L235-L239 VanDerWaalsContact O-CG 3.26Å; L235-L239 WeakPolarHBondContact O-CG 3.43Å; L235-L239 PolarHBondContact O-N 3.43Å; L235-V298 HydrophobicContact CD1-CG1 4.11Å; L235-V298 HydrophobicContact CD2-CG1 4.21Å; L235-I302 HydrophobicContact CD2-CD1 3.85Å; L235-I302 HydrophobicContact CD2-CG1 4.44Å |
| 236 | L | 94.2 | Very high | 91.9 | Very high | 47 Ų | 47 | 67 Ų | 67 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 179.1 | -70.3 | 172.8 | 0 | 0 | 0 | 112 | I221 S232 V233 L239 W240 I273 | I221-L236 HydrophobicContact CD1-CD2 3.85Å; I221-L236 HydrophobicContact CG1-CD2 4.47Å; I221-L236 HydrophobicContact CG2-CD1 4.41Å; I221-L236 HydrophobicContact CG2-CD2 4.25Å; S232-L236 WeakPolarHBondContact O-CG 3.31Å; S232-L236 PolarHBondContact O-N 3.11Å; V233-L236 PolarHBondContact O-N 3.43Å; L236-L239 PolarHBondContact O-N 3.41Å; L236-W240 VanDerWaalsContact O-CB 3.3Å; L236-W240 WeakPolarHBondContact O-CB 3.19Å; L236-W240 PolarHBondContact O-N 2.91Å; L236-I273 HydrophobicContact CD2-CG2 3.69Å |
| 237 | I | 95.7 | Very high | 92 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 176 | -69.1 | 167.7 | 0 | 0 | 0 | 110.8 | V233 F234 L235 W240 S241 | V233-I237 HydrophobicContact CG1-CD1 3.72Å; V233-I237 HydrophobicContact CG1-CG1 4.42Å; V233-I237 VanDerWaalsContact O-CG1 3.28Å; V233-I237 WeakPolarHBondContact O-CG1 3.42Å; V233-I237 PolarHBondContact O-N 2.95Å; F234-I237 PolarHBondContact O-N 3.33Å; L235-I237 PolarHBondContact O-N 3.04Å; I237-W240 PolarHBondContact O-N 3.31Å; I237-S241 WeakPolarHBondContact O-CB 3.48Å; I237-S241 PolarHBondContact O-N 3.36Å; I237-S241 PolarHBondContact O-OG 2.78Å |
| 238 | L | 95.3 | Very high | 92.1 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 178.3 | -177.6 | 147 | 0 | 0 | 0 | 111.1 | F234 L235 W240 S241 C242 | F234-L238 HydrophobicContact CE1-CD1 4.14Å; F234-L238 HydrophobicContact CZ-CD1 4.3Å; F234-L238 WeakPolarHBondContact O-CB 3.33Å; F234-L238 PolarHBondContact O-N 2.91Å; L235-L238 PolarHBondContact O-N 2.85Å; L238-W240 PolarHBondContact O-N 2.94Å; L238-S241 PolarHBondContact O-N 3.44Å; L238-C242 PolarHBondContact O-N 3.45Å; L238-C242 PolarHBondContact O-SG 3.46Å; L238-C242 VanDerWaalsContact O-SG 3.33Å |
| 239 | L | 94.2 | Very high | 92 | Very high | 22 Ų | 22 | 70.6 Ų | 70.6 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 178.3 | -69.9 | 171.9 | 0 | 0 | 0 | 112 | W217 L235 L236 C242 G243 | W217-L239 HydrophobicContact CH2-CD1 3.76Å; W217-L239 HydrophobicContact CZ2-CD1 3.45Å; W217-L239 VanDerWaalsContact CZ2-CD1 3.45Å; L235-L239 HydrophobicContact CD1-CD1 4.04Å; L235-L239 HydrophobicContact CD1-CG 4.15Å; L235-L239 HydrophobicContact CG-CD1 3.93Å; L235-L239 HydrophobicContact CG-CG 4.43Å; L235-L239 WeakPolarHBondContact O-CB 3.23Å; L235-L239 VanDerWaalsContact O-CG 3.26Å; L235-L239 WeakPolarHBondContact O-CG 3.43Å; L235-L239 PolarHBondContact O-N 3.43Å; L236-L239 PolarHBondContact O-N 3.41Å; L239-C242 PolarHBondContact O-N 3.32Å; L239-G243 PolarHBondContact O-N 2.94Å |
| 240 | W | 95.8 | Very high | 91.6 | Very high | 76 Ų | 76 | 68.9 Ų | 68.9 | 29% | 0.288 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 174.6 | -179.6 | 73.6 | 0 | 0 | 0 | 111.5 | L236 I237 L238 C242 G243 F244 T266 I273 | L236-W240 VanDerWaalsContact O-CB 3.3Å; L236-W240 WeakPolarHBondContact O-CB 3.19Å; L236-W240 PolarHBondContact O-N 2.91Å; I237-W240 PolarHBondContact O-N 3.31Å; L238-W240 PolarHBondContact O-N 2.94Å; W240-C242 VanDerWaalsContact C-N 3.33Å; W240-C242 PolarHBondContact O-N 2.74Å; W240-G243 PolarHBondContact O-N 2.96Å; W240-F244 HydrophobicContact CH2-CD1 4.42Å; W240-F244 HydrophobicContact CH2-CG 4.36Å; W240-F244 HydrophobicContact CZ2-CB 4.32Å; W240-F244 HydrophobicContact CZ2-CD2 4.27Å; W240-F244 HydrophobicContact CZ2-CG 4.18Å; W240-F244 VanDerWaalsContact O-CB 3.27Å; W240-F244 WeakPolarHBondContact O-CB 3.43Å; W240-F244 PolarHBondContact O-N 3.43Å; W240-T266 HydrophobicContact CZ2-CG2 4.09Å; W240-I273 HydrophobicContact CB-CD1 3.67Å; W240-I273 HydrophobicContact CB-CG1 4.08Å; W240-I273 HydrophobicContact CG-CD1 4.18Å |
| 241 | S | 95.1 | Very high | 91 | Very high | 47 Ų | 47 | 65 Ų | 65 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 178.6 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | I237 L238 F244 C245 | I237-S241 WeakPolarHBondContact O-CB 3.48Å; I237-S241 PolarHBondContact O-N 3.36Å; I237-S241 PolarHBondContact O-OG 2.78Å; L238-S241 PolarHBondContact O-N 3.44Å; S241-F244 PolarHBondContact O-N 2.94Å; S241-C245 VanDerWaalsContact O-CB 3.26Å; S241-C245 WeakPolarHBondContact O-CB 3.44Å; S241-C245 PolarHBondContact O-N 3.49Å; S241-C245 PolarHBondContact O-SG 2.6Å |
| 242 | C | 92.6 | Very high | 90.5 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 173.8 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | L238 L239 W240 C245 W246 | L238-C242 PolarHBondContact O-N 3.45Å; L238-C242 PolarHBondContact O-SG 3.46Å; L238-C242 VanDerWaalsContact O-SG 3.33Å; L239-C242 PolarHBondContact O-N 3.32Å; W240-C242 VanDerWaalsContact C-N 3.33Å; W240-C242 PolarHBondContact O-N 2.74Å; C242-C245 PolarHBondContact O-N 3.3Å; C242-W246 WeakPolarHBondContact O-CB 3.38Å; C242-W246 PolarHBondContact O-N 3Å |
| 243 | G | 91.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 65 Ų | 65 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L239 W240 W246 T247 | L239-G243 PolarHBondContact O-N 2.94Å; W240-G243 PolarHBondContact O-N 2.96Å; G243-W246 WeakPolarHBondContact O-CB 3.11Å; G243-W246 PolarHBondContact O-N 2.76Å; G243-T247 WeakPolarHBondContact O-CG2 3.47Å; G243-T247 PolarHBondContact O-N 3.03Å |
| 244 | F | 92.5 | Very high | 89.2 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.8 | -48 | 176.9 | -175.7 | -111.7 | 0 | 0 | 0 | 111.3 | W240 S241 W246 T247 L248 R265 T266 | W240-F244 HydrophobicContact CH2-CD1 4.42Å; W240-F244 HydrophobicContact CH2-CG 4.36Å; W240-F244 HydrophobicContact CZ2-CB 4.32Å; W240-F244 HydrophobicContact CZ2-CD2 4.27Å; W240-F244 HydrophobicContact CZ2-CG 4.18Å; W240-F244 VanDerWaalsContact O-CB 3.27Å; W240-F244 WeakPolarHBondContact O-CB 3.43Å; W240-F244 PolarHBondContact O-N 3.43Å; S241-F244 PolarHBondContact O-N 2.94Å; F244-W246 PolarHBondContact O-N 3.16Å; F244-T247 PolarHBondContact O-N 2.97Å; F244-T247 PolarHBondContact O-OG1 3.4Å; F244-L248 HydrophobicContact CD1-CD1 3.97Å; F244-L248 HydrophobicContact CD1-CG 4.43Å; F244-L248 HydrophobicContact CE1-CD1 3.66Å; F244-L248 HydrophobicContact CE1-CD2 4.44Å; F244-L248 HydrophobicContact CE1-CG 4.16Å; F244-L248 HydrophobicContact CZ-CD1 4.21Å; F244-L248 HydrophobicContact CZ-CD2 4.16Å; F244-L248 HydrophobicContact CZ-CG 4.28Å; F244-L248 WeakPolarHBondContact O-CG 3.44Å; F244-L248 PolarHBondContact O-N 2.89Å; F244-R265 HydrophobicContact CD2-CB 4.49Å; F244-R265 HydrophobicContact CE2-CB 4.06Å; F244-T266 WeakPolarHBondContact CE2-OG1 3.25Å |
| 245 | C | 91.1 | Very high | 88.5 | Confident | 70 Ų | 70 | 56.2 Ų | 56.2 | 47% | 0.473 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.2 | -40.2 | 172.9 | -76.9 | 0 | 0 | 0 | 0 | 112.1 | S241 C242 L248 K249 | S241-C245 VanDerWaalsContact O-CB 3.26Å; S241-C245 WeakPolarHBondContact O-CB 3.44Å; S241-C245 PolarHBondContact O-N 3.49Å; S241-C245 PolarHBondContact O-SG 2.6Å; C242-C245 PolarHBondContact O-N 3.3Å; C245-L248 PolarHBondContact O-N 3.45Å; C245-K249 WeakPolarHBondContact O-CG 3.42Å; C245-K249 PolarHBondContact O-N 2.81Å; C245-K249 VanDerWaalsContact O-N 3.15Å |
| 246 | W | 90 | Very high | 87.9 | Confident | 101 Ų | 101 | 62.6 Ų | 62.6 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 173.2 | 179.2 | -94.4 | 0 | 0 | 0 | 111.5 | C242 G243 F244 L248 K249 Q250 C287 | C242-W246 WeakPolarHBondContact O-CB 3.38Å; C242-W246 PolarHBondContact O-N 3Å; G243-W246 WeakPolarHBondContact O-CB 3.11Å; G243-W246 PolarHBondContact O-N 2.76Å; F244-W246 PolarHBondContact O-N 3.16Å; W246-L248 VanDerWaalsContact C-N 3.29Å; W246-L248 PolarHBondContact O-N 3.04Å; W246-K249 PolarHBondContact O-N 3.4Å; W246-K249 VanDerWaalsContact O-N 3.17Å; W246-Q250 VanDerWaalsContact CE2-NE2 3.28Å; W246-Q250 WeakPolarHBondContact O-CG 3.49Å; W246-Q250 PolarHBondContact O-N 3.29Å; W246-Q250 VanDerWaalsContact O-N 3.09Å; W246-C287 HydrophobicContact CH2-CB 4.5Å; W246-C287 HydrophobicContact CZ2-CB 4.08Å; W246-C287 VanDerWaalsContact CZ2-SG 3.6Å |
| 247 | T | 88.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 178.3 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | G243 F244 Q250 V268 L272 I279 | G243-T247 WeakPolarHBondContact O-CG2 3.47Å; G243-T247 PolarHBondContact O-N 3.03Å; F244-T247 PolarHBondContact O-N 2.97Å; F244-T247 PolarHBondContact O-OG1 3.4Å; T247-Q250 PolarHBondContact O-N 3.43Å; T247-V268 HydrophobicContact CG2-CB 4.31Å; T247-V268 HydrophobicContact CG2-CG1 3.8Å; T247-L272 HydrophobicContact CG2-CD1 3.82Å; T247-I279 HydrophobicContact CG2-CD1 3.73Å |
| 248 | L | 87.8 | Confident | 87.2 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.1 | -69.3 | 174.9 | 0 | 0 | 0 | 111.3 | F244 C245 W246 Q250 H251 Y262 | F244-L248 HydrophobicContact CD1-CD1 3.97Å; F244-L248 HydrophobicContact CD1-CG 4.43Å; F244-L248 HydrophobicContact CE1-CD1 3.66Å; F244-L248 HydrophobicContact CE1-CD2 4.44Å; F244-L248 HydrophobicContact CE1-CG 4.16Å; F244-L248 HydrophobicContact CZ-CD1 4.21Å; F244-L248 HydrophobicContact CZ-CD2 4.16Å; F244-L248 HydrophobicContact CZ-CG 4.28Å; F244-L248 WeakPolarHBondContact O-CG 3.44Å; F244-L248 PolarHBondContact O-N 2.89Å; C245-L248 PolarHBondContact O-N 3.45Å; W246-L248 VanDerWaalsContact C-N 3.29Å; W246-L248 PolarHBondContact O-N 3.04Å; L248-Q250 PolarHBondContact O-N 3.42Å; L248-H251 PolarHBondContact O-N 2.91Å; L248-Y262 HydrophobicContact CD2-CD1 4.45Å; L248-Y262 HydrophobicContact CD2-CE1 3.97Å |
| 249 | K | 86.6 | Confident | 87 | Confident | 163 Ų | 163 | 67.8 Ų | 67.8 | 71% | 0.709 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.9 | -26.2 | 176.7 | -71.9 | -176.5 | 179 | -175.5 | 0 | 113.2 | C245 W246 H251 | C245-K249 WeakPolarHBondContact O-CG 3.42Å; C245-K249 PolarHBondContact O-N 2.81Å; C245-K249 VanDerWaalsContact O-N 3.15Å; W246-K249 PolarHBondContact O-N 3.4Å; W246-K249 VanDerWaalsContact O-N 3.17Å; K249-H251 PolarHBondContact O-CD2 3.39Å; K249-H251 VanDerWaalsContact O-CD2 3.25Å; K249-H251 PolarHBondContact O-N 3.47Å |
| 250 | Q | 79.8 | Confident | 86.8 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 20% | 0.201 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -9.6 | 179.6 | -69.6 | -63.5 | -25.6 | 0 | 0 | 113.4 | W246 T247 L248 T252 K280 | W246-Q250 VanDerWaalsContact CE2-NE2 3.28Å; W246-Q250 WeakPolarHBondContact O-CG 3.49Å; W246-Q250 PolarHBondContact O-N 3.29Å; W246-Q250 VanDerWaalsContact O-N 3.09Å; T247-Q250 PolarHBondContact O-N 3.43Å; L248-Q250 PolarHBondContact O-N 3.42Å; Q250-T252 HydrophobicContact CB-CG2 4.26Å; Q250-T252 PolarHBondContact O-N 2.98Å; Q250-K280 VanDerWaalsContact O-CD 3.26Å; Q250-K280 WeakPolarHBondContact O-CD 3.44Å; Q250-K280 VanDerWaalsContact O-CE 3.27Å; Q250-K280 WeakPolarHBondContact O-CE 3.42Å; Q250-K280 PolarHBondContact O-NZ 2.88Å |
| 251 | H | 77.4 | Confident | 86.6 | Confident | 133 Ų | 133 | 64.4 Ų | 64.4 | 62% | 0.616 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 62.4 | 179.5 | -67.2 | -81.3 | 0 | 0 | 0 | 112.8 | L248 K249 K280 | L248-H251 PolarHBondContact O-N 2.91Å; K249-H251 PolarHBondContact O-CD2 3.39Å; K249-H251 VanDerWaalsContact O-CD2 3.25Å; K249-H251 PolarHBondContact O-N 3.47Å; H251-K280 PolarHBondContact O-NZ 2.83Å |
| 252 | T | 79.8 | Confident | 86.4 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | trans | -76.2 | 147.3 | 178.9 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | Q250 E261 Y264 R265 I279 F377 | Q250-T252 HydrophobicContact CB-CG2 4.26Å; Q250-T252 PolarHBondContact O-N 2.98Å; T252-E261 WeakPolarHBondContact CB-OE1 3.43Å; T252-E261 VanDerWaalsContact O-CD 3.3Å; T252-E261 PolarHBondContact OG1-OE1 3.16Å; T252-Y264 HydrophobicContact CG2-CE1 4.41Å; T252-R265 PolarHBondContact O-NH2 3.03Å; T252-R265 WeakPolarHBondContact OG1-CG 3.38Å; T252-R265 PolarHBondContact OG1-NE 3.48Å; T252-I279 HydrophobicContact CG2-CG2 3.22Å; T252-F377 HydrophobicContact CG2-CE2 4.43Å | ||
| 253 | T | 79.4 | Confident | 86.5 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 36% | 0.362 | 33% | 0.325 | S | S | . | . | trans | -132.7 | 62.1 | 171.3 | 76.4 | 0 | 0 | 0 | 0 | 110.4 | Q380 | T253-Q380 PolarHBondContact OG1-NE2 3.44Å; T253-Q380 PolarHBondContact OG1-OE1 2.99Å | ||
| 254 | F | 78.3 | Confident | 86.5 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 6% | 0.057 | 32% | 0.32 | C | S | . | . | trans | -79.4 | -35.6 | 178.5 | -173.4 | -101.1 | 0 | 0 | 0 | 112 | W63 E261 Y264 R373 F374 F377 | W63-F254 AromaticContact CE2-CE1 3.61Å; W63-F254 AromaticContact CE2-CZ 4Å; W63-F254 HydrophobicContact CH2-CE1 4.47Å; W63-F254 HydrophobicContact CH2-CZ 4.4Å; W63-F254 AromaticContact CZ2-CE1 3.39Å; W63-F254 HydrophobicContact CZ2-CE1 3.39Å; W63-F254 AromaticContact CZ2-CZ 3.66Å; W63-F254 HydrophobicContact CZ2-CZ 3.66Å; W63-F254 AromaticContact NE1-CE1 3.45Å; F254-E261 PolarHBondContact N-OE1 2.94Å; F254-E261 PolarHBondContact N-OE2 3.26Å; F254-Y264 HydrophobicContact CB-CD1 3.93Å; F254-Y264 HydrophobicContact CB-CD2 4.36Å; F254-Y264 HydrophobicContact CB-CE1 3.88Å; F254-Y264 HydrophobicContact CB-CE2 4.3Å; F254-Y264 HydrophobicContact CB-CG 4.18Å; F254-Y264 AromaticContact CD1-CD2 3.78Å; F254-Y264 HydrophobicContact CD1-CD2 3.78Å; F254-Y264 AromaticContact CD1-CE2 3.93Å; F254-Y264 HydrophobicContact CD1-CE2 3.93Å; F254-Y264 HydrophobicContact CD1-CG 4.22Å; F254-Y264 HydrophobicContact CE1-CD2 4.4Å; F254-Y264 HydrophobicContact CE1-CE2 4.44Å; F254-Y264 HydrophobicContact CG-CD2 4.19Å; F254-Y264 HydrophobicContact CG-CE1 4.43Å; F254-Y264 AromaticContact CG-CE2 3.99Å; F254-Y264 HydrophobicContact CG-CE2 3.99Å; F254-Y264 HydrophobicContact CG-CG 4.48Å; F254-R373 HydrophobicContact CE2-CG 4.13Å; F254-R373 HydrophobicContact CZ-CG 4.39Å; F254-F374 HydrophobicContact CE2-CD1 4.25Å; F254-F374 AromaticContact CE2-CE1 3.89Å; F254-F374 HydrophobicContact CE2-CE1 3.89Å; F254-F374 HydrophobicContact CE2-CZ 4.37Å; F254-F374 HydrophobicContact CZ-CE1 4.34Å; F254-F374 HydrophobicContact CZ-CZ 4.44Å; F254-F377 HydrophobicContact CB-CD2 3.67Å; F254-F377 HydrophobicContact CB-CE2 3.64Å; F254-F377 HydrophobicContact CD2-CB 4.14Å; F254-F377 HydrophobicContact CD2-CD1 4.23Å; F254-F377 AromaticContact CD2-CD2 3.59Å; F254-F377 HydrophobicContact CD2-CD2 3.59Å; F254-F377 AromaticContact CD2-CE2 3.97Å; F254-F377 HydrophobicContact CD2-CE2 3.97Å; F254-F377 AromaticContact CD2-CG 3.73Å; F254-F377 HydrophobicContact CD2-CG 3.73Å; F254-F377 HydrophobicContact CD2-CZ 4.42Å; F254-F377 HydrophobicContact CG-CD2 4.1Å; F254-F377 HydrophobicContact CG-CE2 4.21Å | ||
| 255 | C | 79.9 | Confident | 86.6 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 11% | 0.108 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -108.4 | 145.5 | 179.7 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | M260 E261 | C255-M260 HydrophobicContact CB-CB 3.67Å; C255-E261 HydrophobicContact CB-CB 4.36Å; C255-E261 PolarHBondContact N-OE2 3.46Å |
| 256 | K | 82 | Confident | 86.7 | Confident | 165 Ų | 165 | 64.6 Ų | 64.6 | 72% | 0.717 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -70 | -35 | 174.1 | -60.1 | -170.2 | -164.8 | 161.3 | 0 | 112.3 | N66 | N66-K256 WeakPolarHBondContact OD1-CD 3.5Å; N66-K256 WeakPolarHBondContact OD1-CE 3.35Å; N66-K256 PolarHBondContact OD1-NZ 2.9Å |
| 257 | S | 86.9 | Confident | 87 | Confident | 46 Ų | 46 | 60 Ų | 60 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -85.2 | 134.3 | 178.3 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | V259 M260 E261 | S257-V259 VanDerWaalsContact C-N 3.31Å; S257-V259 PolarHBondContact O-N 3.22Å; S257-V259 PolarHBondContact OG-N 3.08Å; S257-M260 PolarHBondContact O-N 3.28Å; S257-E261 PolarHBondContact O-N 3.17Å |
| 258 | K | 87.9 | Confident | 87.2 | Confident | 175 Ų | 175 | 59.9 Ų | 59.9 | 76% | 0.761 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.7 | -40.7 | 177 | -68.1 | -176.1 | 179.9 | 178.1 | 0 | 112.4 | E261 Y262 | K258-E261 WeakPolarHBondContact O-CB 3.31Å; K258-E261 PolarHBondContact O-N 2.87Å; K258-Y262 VanDerWaalsContact O-CD2 3.26Å; K258-Y262 WeakPolarHBondContact O-CD2 3.18Å; K258-Y262 PolarHBondContact O-N 2.98Å |
| 259 | V | 90.8 | Very high | 87.5 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 68% | 0.679 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | -179.8 | 178 | 0 | 0 | 0 | 0 | 110.5 | S257 E261 Y262 L263 | S257-V259 VanDerWaalsContact C-N 3.31Å; S257-V259 PolarHBondContact O-N 3.22Å; S257-V259 PolarHBondContact OG-N 3.08Å; V259-E261 VanDerWaalsContact C-N 3.32Å; V259-E261 PolarHBondContact O-N 3.42Å; V259-Y262 PolarHBondContact O-N 2.95Å; V259-L263 PolarHBondContact O-N 3.46Å |
| 260 | M | 90.5 | Very high | 87.9 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.1 | -32.8 | 178 | -67.4 | -58.2 | -71.3 | 0 | 0 | 112.4 | L58 F59 E62 C255 S257 L263 Y264 | L58-M260 HydrophobicContact CB-CE 4.1Å; L58-M260 WeakPolarHBondContact O-CE 3.26Å; F59-M260 HydrophobicContact CD1-CE 3.9Å; F59-M260 HydrophobicContact CE1-CE 4.07Å; F59-M260 HydrophobicContact CG-CE 4.34Å; E62-M260 HydrophobicContact CB-CE 3.91Å; E62-M260 HydrophobicContact CG-CE 3.64Å; E62-M260 HydrophobicContact CG-CG 3.8Å; E62-M260 HydrophobicContact CG-SD 3.95Å; C255-M260 HydrophobicContact CB-CB 3.67Å; S257-M260 PolarHBondContact O-N 3.28Å; M260-L263 HydrophobicContact CE-CD2 4.24Å; M260-L263 PolarHBondContact O-N 2.77Å; M260-L263 HydrophobicContact SD-CD2 4.25Å; M260-Y264 WeakPolarHBondContact O-CB 3.22Å; M260-Y264 PolarHBondContact O-N 3.43Å |
| 261 | E | 90.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 173.5 | -170.5 | 60.9 | -149 | 0 | 0 | 112 | T252 F254 C255 S257 K258 V259 Y264 R265 | T252-E261 WeakPolarHBondContact CB-OE1 3.43Å; T252-E261 VanDerWaalsContact O-CD 3.3Å; T252-E261 PolarHBondContact OG1-OE1 3.16Å; F254-E261 PolarHBondContact N-OE1 2.94Å; F254-E261 PolarHBondContact N-OE2 3.26Å; C255-E261 HydrophobicContact CB-CB 4.36Å; C255-E261 PolarHBondContact N-OE2 3.46Å; S257-E261 PolarHBondContact O-N 3.17Å; K258-E261 WeakPolarHBondContact O-CB 3.31Å; K258-E261 PolarHBondContact O-N 2.87Å; V259-E261 VanDerWaalsContact C-N 3.32Å; V259-E261 PolarHBondContact O-N 3.42Å; E261-Y264 WeakPolarHBondContact O-CB 3.38Å; E261-Y264 PolarHBondContact O-N 3.39Å; E261-R265 WeakPolarHBondContact O-CG 3.45Å; E261-R265 PolarHBondContact O-N 3.27Å; E261-R265 IonicContact OE1-NE 2.88Å |
| 262 | Y | 91.6 | Very high | 89.4 | Confident | 128 Ų | 128 | 43.7 Ų | 43.7 | 50% | 0.502 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 172.9 | -86.1 | -73.9 | 0 | 0 | 0 | 111.8 | L248 K258 V259 Y264 R265 T266 | L248-Y262 HydrophobicContact CD2-CD1 4.45Å; L248-Y262 HydrophobicContact CD2-CE1 3.97Å; K258-Y262 VanDerWaalsContact O-CD2 3.26Å; K258-Y262 WeakPolarHBondContact O-CD2 3.18Å; K258-Y262 PolarHBondContact O-N 2.98Å; V259-Y262 PolarHBondContact O-N 2.95Å; Y262-Y264 VanDerWaalsContact C-N 3.28Å; Y262-Y264 PolarHBondContact O-N 3.07Å; Y262-R265 PolarHBondContact O-N 2.94Å; Y262-T266 PolarHBondContact O-N 3.13Å; Y262-T266 PolarHBondContact O-OG1 3.45Å |
| 263 | L | 93.9 | Very high | 90.1 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -42.5 | 174.4 | -178.1 | 63.3 | 0 | 0 | 0 | 111.3 | L58 F59 V259 M260 T266 V267 | L58-L263 HydrophobicContact CB-CD2 4.4Å; L58-L263 HydrophobicContact CD1-CD2 4.03Å; F59-L263 HydrophobicContact CE2-CD2 4Å; F59-L263 HydrophobicContact CE2-CG 3.98Å; F59-L263 HydrophobicContact CZ-CB 4.28Å; F59-L263 HydrophobicContact CZ-CD2 4.08Å; F59-L263 HydrophobicContact CZ-CG 3.89Å; V259-L263 PolarHBondContact O-N 3.46Å; M260-L263 HydrophobicContact CE-CD2 4.24Å; M260-L263 PolarHBondContact O-N 2.77Å; M260-L263 HydrophobicContact SD-CD2 4.25Å; L263-T266 WeakPolarHBondContact O-CB 3.45Å; L263-T266 PolarHBondContact O-N 3.26Å; L263-V267 HydrophobicContact CD1-CG2 4.49Å; L263-V267 WeakPolarHBondContact O-CG2 3.47Å; L263-V267 PolarHBondContact O-N 3.41Å |
| 264 | Y | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 176.7 | 171.3 | -103.3 | 0 | 0 | 0 | 111.3 | F59 M135 F139 T252 F254 M260 E261 Y262 T266 V267 V268 I279 F377 | F59-Y264 HydrophobicContact CE1-CD2 4.5Å; M135-Y264 HydrophobicContact CE-CE2 3.8Å; F139-Y264 AromaticContact CZ-CD2 3.91Å; F139-Y264 HydrophobicContact CZ-CD2 3.91Å; F139-Y264 HydrophobicContact CZ-CE2 4.04Å; T252-Y264 HydrophobicContact CG2-CE1 4.41Å; F254-Y264 HydrophobicContact CB-CD1 3.93Å; F254-Y264 HydrophobicContact CB-CD2 4.36Å; F254-Y264 HydrophobicContact CB-CE1 3.88Å; F254-Y264 HydrophobicContact CB-CE2 4.3Å; F254-Y264 HydrophobicContact CB-CG 4.18Å; F254-Y264 AromaticContact CD1-CD2 3.78Å; F254-Y264 HydrophobicContact CD1-CD2 3.78Å; F254-Y264 AromaticContact CD1-CE2 3.93Å; F254-Y264 HydrophobicContact CD1-CE2 3.93Å; F254-Y264 HydrophobicContact CD1-CG 4.22Å; F254-Y264 HydrophobicContact CE1-CD2 4.4Å; F254-Y264 HydrophobicContact CE1-CE2 4.44Å; F254-Y264 HydrophobicContact CG-CD2 4.19Å; F254-Y264 HydrophobicContact CG-CE1 4.43Å; F254-Y264 AromaticContact CG-CE2 3.99Å; F254-Y264 HydrophobicContact CG-CE2 3.99Å; F254-Y264 HydrophobicContact CG-CG 4.48Å; M260-Y264 WeakPolarHBondContact O-CB 3.22Å; M260-Y264 PolarHBondContact O-N 3.43Å; E261-Y264 WeakPolarHBondContact O-CB 3.38Å; E261-Y264 PolarHBondContact O-N 3.39Å; Y262-Y264 VanDerWaalsContact C-N 3.28Å; Y262-Y264 PolarHBondContact O-N 3.07Å; Y264-T266 VanDerWaalsContact C-N 3.32Å; Y264-T266 PolarHBondContact O-N 3.06Å; Y264-V267 PolarHBondContact O-N 3.46Å; Y264-V268 HydrophobicContact CD1-CG2 4.37Å; Y264-V268 HydrophobicContact CD2-CG2 4.04Å; Y264-V268 HydrophobicContact CE1-CG2 3.93Å; Y264-V268 HydrophobicContact CE2-CG2 3.58Å; Y264-V268 HydrophobicContact CG-CG2 4.41Å; Y264-V268 WeakPolarHBondContact O-CB 3.31Å; Y264-V268 VanDerWaalsContact O-CG2 3.26Å; Y264-V268 WeakPolarHBondContact O-CG2 3.47Å; Y264-V268 PolarHBondContact O-N 3.42Å; Y264-I279 HydrophobicContact CE1-CG2 4.28Å; Y264-F377 HydrophobicContact CE1-CE2 4.03Å; Y264-F377 HydrophobicContact CE1-CZ 4.06Å; Y264-F377 AromaticContact CZ-CZ 3.82Å; Y264-F377 WeakPolarHBondContact OH-CZ 3.45Å |
| 265 | R | 93.1 | Very high | 91.4 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 177.1 | -71.1 | 176.7 | -171.6 | 170.5 | 4.3 | 112.5 | F244 T252 E261 Y262 G269 | F244-R265 HydrophobicContact CD2-CB 4.49Å; F244-R265 HydrophobicContact CE2-CB 4.06Å; T252-R265 PolarHBondContact O-NH2 3.03Å; T252-R265 WeakPolarHBondContact OG1-CG 3.38Å; T252-R265 PolarHBondContact OG1-NE 3.48Å; E261-R265 WeakPolarHBondContact O-CG 3.45Å; E261-R265 PolarHBondContact O-N 3.27Å; E261-R265 IonicContact OE1-NE 2.88Å; Y262-R265 PolarHBondContact O-N 2.94Å; R265-G269 PolarHBondContact O-N 3.21Å |
| 266 | T | 94.6 | Very high | 91.9 | Very high | 43 Ų | 43 | 41.6 Ų | 41.6 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 174.5 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | W240 F244 Y262 L263 Y264 G269 I270 | W240-T266 HydrophobicContact CZ2-CG2 4.09Å; F244-T266 WeakPolarHBondContact CE2-OG1 3.25Å; Y262-T266 PolarHBondContact O-N 3.13Å; Y262-T266 PolarHBondContact O-OG1 3.45Å; L263-T266 WeakPolarHBondContact O-CB 3.45Å; L263-T266 PolarHBondContact O-N 3.26Å; Y264-T266 VanDerWaalsContact C-N 3.32Å; Y264-T266 PolarHBondContact O-N 3.06Å; T266-G269 PolarHBondContact O-N 3.09Å; T266-I270 WeakPolarHBondContact O-CG1 3.48Å; T266-I270 PolarHBondContact O-N 2.85Å |
| 267 | V | 95.3 | Very high | 92 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 179.7 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V55 F59 F139 L143 L263 Y264 G269 I270 I271 | V55-V267 HydrophobicContact CG1-CG2 3.7Å; F59-V267 HydrophobicContact CE2-CG2 4.25Å; F139-V267 HydrophobicContact CB-CG1 4.35Å; F139-V267 HydrophobicContact CD1-CG1 3.44Å; F139-V267 VanDerWaalsContact CD1-CG1 3.44Å; F139-V267 HydrophobicContact CE1-CG1 3.72Å; F139-V267 HydrophobicContact CG-CG1 3.92Å; F139-V267 HydrophobicContact CZ-CG1 4.45Å; L143-V267 HydrophobicContact CD1-CG1 4.11Å; L143-V267 HydrophobicContact CD1-CG2 4.23Å; L143-V267 HydrophobicContact CG-CG1 4.45Å; L263-V267 HydrophobicContact CD1-CG2 4.49Å; L263-V267 WeakPolarHBondContact O-CG2 3.47Å; L263-V267 PolarHBondContact O-N 3.41Å; Y264-V267 PolarHBondContact O-N 3.46Å; V267-G269 VanDerWaalsContact C-N 3.3Å; V267-G269 PolarHBondContact O-N 3.47Å; V267-I270 WeakPolarHBondContact O-CA 3.48Å; V267-I270 WeakPolarHBondContact O-CB 3.3Å; V267-I270 PolarHBondContact O-N 3.49Å; V267-I270 VanDerWaalsContact O-N 3.09Å; V267-I271 HydrophobicContact CG1-CD1 4.19Å; V267-I271 WeakPolarHBondContact O-CG1 3.37Å; V267-I271 PolarHBondContact O-N 3.28Å |
| 268 | V | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 175 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | T247 Y264 I270 I271 L272 F277 I279 | T247-V268 HydrophobicContact CG2-CB 4.31Å; T247-V268 HydrophobicContact CG2-CG1 3.8Å; Y264-V268 HydrophobicContact CD1-CG2 4.37Å; Y264-V268 HydrophobicContact CD2-CG2 4.04Å; Y264-V268 HydrophobicContact CE1-CG2 3.93Å; Y264-V268 HydrophobicContact CE2-CG2 3.58Å; Y264-V268 HydrophobicContact CG-CG2 4.41Å; Y264-V268 WeakPolarHBondContact O-CB 3.31Å; Y264-V268 VanDerWaalsContact O-CG2 3.26Å; Y264-V268 WeakPolarHBondContact O-CG2 3.47Å; Y264-V268 PolarHBondContact O-N 3.42Å; V268-I270 VanDerWaalsContact C-N 3.27Å; V268-I270 PolarHBondContact O-N 2.94Å; V268-I271 PolarHBondContact O-N 2.94Å; V268-L272 HydrophobicContact CG1-CD1 4.45Å; V268-L272 HydrophobicContact CG1-CG 4.44Å; V268-L272 WeakPolarHBondContact O-CG 3.25Å; V268-L272 PolarHBondContact O-N 3.17Å; V268-F277 HydrophobicContact CG1-CD1 4.11Å; V268-F277 HydrophobicContact CG2-CD1 4.32Å; V268-F277 HydrophobicContact CG2-CE1 4.31Å; V268-I279 HydrophobicContact CG1-CD1 3.2Å; V268-I279 HydrophobicContact CG1-CG1 3.47Å; V268-I279 VanDerWaalsContact CG1-CG1 3.47Å |
| 269 | G | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.9 | -40.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R265 T266 V267 L272 I273 | R265-G269 PolarHBondContact O-N 3.21Å; T266-G269 PolarHBondContact O-N 3.09Å; V267-G269 VanDerWaalsContact C-N 3.3Å; V267-G269 PolarHBondContact O-N 3.47Å; G269-L272 PolarHBondContact O-N 2.96Å; G269-I273 PolarHBondContact O-N 3.41Å |
| 270 | I | 95.1 | Very high | 89 | Confident | 41 Ų | 41 | 21.1 Ų | 21.1 | 21% | 0.21 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 173.7 | -63.1 | 167.3 | 0 | 0 | 0 | 110.9 | L143 T266 V267 V268 L272 I273 F274 | L143-I270 HydrophobicContact CD2-CB 4.45Å; L143-I270 HydrophobicContact CD2-CD1 3.6Å; L143-I270 HydrophobicContact CD2-CG2 4.16Å; T266-I270 WeakPolarHBondContact O-CG1 3.48Å; T266-I270 PolarHBondContact O-N 2.85Å; V267-I270 WeakPolarHBondContact O-CA 3.48Å; V267-I270 WeakPolarHBondContact O-CB 3.3Å; V267-I270 PolarHBondContact O-N 3.49Å; V267-I270 VanDerWaalsContact O-N 3.09Å; V268-I270 VanDerWaalsContact C-N 3.27Å; V268-I270 PolarHBondContact O-N 2.94Å; I270-L272 VanDerWaalsContact C-N 3.26Å; I270-L272 PolarHBondContact O-N 2.98Å; I270-I273 VanDerWaalsContact O-CB 3.26Å; I270-I273 WeakPolarHBondContact O-CB 3.37Å; I270-I273 WeakPolarHBondContact O-CG1 3.27Å; I270-I273 PolarHBondContact O-N 3.31Å; I270-I273 VanDerWaalsContact O-N 3.09Å; I270-F274 HydrophobicContact CG2-CE2 4.11Å; I270-F274 WeakPolarHBondContact O-CD2 3.48Å |
| 271 | I | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59 | -41 | 177.4 | -63.5 | 163.9 | 0 | 0 | 0 | 110.9 | V138 F139 F142 V267 V268 I273 F274 T275 F277 | V138-I271 HydrophobicContact CG1-CD1 4.01Å; F139-I271 HydrophobicContact CD1-CD1 3.88Å; F139-I271 HydrophobicContact CE1-CD1 4.08Å; F142-I271 HydrophobicContact CB-CG1 3.83Å; F142-I271 HydrophobicContact CD2-CB 4.34Å; F142-I271 HydrophobicContact CD2-CD1 4.45Å; F142-I271 HydrophobicContact CD2-CG1 3.79Å; F142-I271 HydrophobicContact CD2-CG2 3.84Å; F142-I271 HydrophobicContact CE2-CG2 3.94Å; F142-I271 HydrophobicContact CG-CB 4.41Å; F142-I271 HydrophobicContact CG-CG1 3.94Å; F142-I271 HydrophobicContact CG-CG2 4.23Å; F142-I271 HydrophobicContact CZ-CG2 4.4Å; V267-I271 HydrophobicContact CG1-CD1 4.19Å; V267-I271 WeakPolarHBondContact O-CG1 3.37Å; V267-I271 PolarHBondContact O-N 3.28Å; V268-I271 PolarHBondContact O-N 2.94Å; I271-I273 PolarHBondContact O-N 3.34Å; I271-F274 PolarHBondContact O-N 3.48Å; I271-T275 HydrophobicContact CG2-CG2 3.99Å; I271-T275 PolarHBondContact O-N 2.86Å; I271-T275 VanDerWaalsContact O-O 3.14Å; I271-F277 HydrophobicContact CG2-CB 3.73Å; I271-F277 HydrophobicContact CG2-CD2 4.12Å; I271-F277 HydrophobicContact CG2-CG 4.08Å |
| 272 | L | 93.4 | Very high | 85.6 | Confident | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.063 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63 | -23.3 | 179 | -75.2 | 176.8 | 0 | 0 | 0 | 113.4 | T247 V268 G269 I270 F274 F277 I279 Y291 | T247-L272 HydrophobicContact CG2-CD1 3.82Å; V268-L272 HydrophobicContact CG1-CD1 4.45Å; V268-L272 HydrophobicContact CG1-CG 4.44Å; V268-L272 WeakPolarHBondContact O-CG 3.25Å; V268-L272 PolarHBondContact O-N 3.17Å; G269-L272 PolarHBondContact O-N 2.96Å; I270-L272 VanDerWaalsContact C-N 3.26Å; I270-L272 PolarHBondContact O-N 2.98Å; L272-F274 PolarHBondContact O-N 3.48Å; L272-F277 HydrophobicContact CD2-CB 4.38Å; L272-I279 HydrophobicContact CD1-CD1 3.98Å; L272-Y291 HydrophobicContact CD2-CE2 4.3Å; L272-Y291 VanDerWaalsContact O-CE2 3.27Å; L272-Y291 WeakPolarHBondContact O-CE2 3.12Å; L272-Y291 PolarHBondContact O-OH 2.88Å |
| 273 | I | 94.1 | Very high | 83.8 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 7% | 0.072 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.1 | -34.9 | 169.7 | -56.7 | 171.6 | 0 | 0 | 0 | 110.2 | W217 L236 W240 G269 I270 I271 H295 | W217-I273 PolarHBondContact NE1-O 2.91Å; L236-I273 HydrophobicContact CD2-CG2 3.69Å; W240-I273 HydrophobicContact CB-CD1 3.67Å; W240-I273 HydrophobicContact CB-CG1 4.08Å; W240-I273 HydrophobicContact CG-CD1 4.18Å; G269-I273 PolarHBondContact O-N 3.41Å; I270-I273 VanDerWaalsContact O-CB 3.26Å; I270-I273 WeakPolarHBondContact O-CB 3.37Å; I270-I273 WeakPolarHBondContact O-CG1 3.27Å; I270-I273 PolarHBondContact O-N 3.31Å; I270-I273 VanDerWaalsContact O-N 3.09Å; I271-I273 PolarHBondContact O-N 3.34Å; I273-H295 PolarHBondContact O-CE1 3.18Å |
| 274 | F | 93.3 | Very high | 82.6 | Confident | 15 Ų | 15 | 28.2 Ų | 28.2 | 7% | 0.066 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -106 | -38.1 | -169.7 | -57.2 | -61.8 | 0 | 0 | 0 | 114.1 | F142 T146 F150 I270 I271 L272 | F142-F274 HydrophobicContact CD1-CB 3.79Å; F142-F274 AromaticContact CD1-CD2 3.66Å; F142-F274 HydrophobicContact CD1-CD2 3.66Å; F142-F274 HydrophobicContact CD1-CG 4.06Å; F142-F274 HydrophobicContact CE1-CB 3.66Å; F142-F274 HydrophobicContact CE1-CD2 4.41Å; F142-F274 HydrophobicContact CE1-CG 4.38Å; T146-F274 HydrophobicContact CG2-CD1 3.7Å; T146-F274 HydrophobicContact CG2-CD2 3.91Å; T146-F274 HydrophobicContact CG2-CE1 3.72Å; T146-F274 HydrophobicContact CG2-CE2 3.86Å; T146-F274 HydrophobicContact CG2-CG 3.81Å; T146-F274 HydrophobicContact CG2-CZ 3.76Å; F150-F274 HydrophobicContact CD2-CE1 4.41Å; F150-F274 HydrophobicContact CE2-CD1 4.11Å; F150-F274 AromaticContact CE2-CE1 3.36Å; F150-F274 HydrophobicContact CE2-CE1 3.36Å; F150-F274 HydrophobicContact CE2-CZ 4.03Å; F150-F274 HydrophobicContact CZ-CD1 4.49Å; F150-F274 AromaticContact CZ-CE1 3.93Å; F150-F274 HydrophobicContact CZ-CE1 3.93Å; I270-F274 HydrophobicContact CG2-CE2 4.11Å; I270-F274 WeakPolarHBondContact O-CD2 3.48Å; I271-F274 PolarHBondContact O-N 3.48Å; L272-F274 PolarHBondContact O-N 3.48Å |
| 275 | T | 93.1 | Very high | 81.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -151.5 | 149.7 | -178.8 | -159.4 | 0 | 0 | 0 | 0 | 111.9 | F142 M181 K210 I271 F277 Y291 | F142-T275 HydrophobicContact CE1-CG2 3.99Å; F142-T275 HydrophobicContact CE2-CG2 4.08Å; F142-T275 HydrophobicContact CZ-CG2 3.42Å; F142-T275 VanDerWaalsContact CZ-CG2 3.42Å; M181-T275 HydrophobicContact CE-CG2 3.86Å; M181-T275 HydrophobicContact CG-CG2 4.44Å; M181-T275 HydrophobicContact SD-CG2 4.06Å; K210-T275 PolarHBondContact NZ-OG1 3.35Å; I271-T275 HydrophobicContact CG2-CG2 3.99Å; I271-T275 PolarHBondContact O-N 2.86Å; I271-T275 VanDerWaalsContact O-O 3.14Å; T275-F277 PolarHBondContact O-N 3.43Å; T275-F277 VanDerWaalsContact O-N 3.08Å; T275-Y291 VanDerWaalsContact CA-OH 3.25Å; T275-Y291 WeakPolarHBondContact CA-OH 3.41Å; T275-Y291 PolarHBondContact N-OH 3.5Å; T275-Y291 PolarHBondContact O-OH 2.9Å |
| 276 | F | 89.7 | Confident | 81.1 | Confident | 17 Ų | 17 | 37 Ų | 37 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | trans | -63 | 117.8 | 172 | -173.7 | -96.9 | 0 | 0 | 0 | 109.5 | K210 N278 I288 Y291 Y292 | K210-F276 PolarHBondContact NZ-O 3.44Å; F276-N278 HydrophobicContact CE1-CB 4.08Å; F276-I288 HydrophobicContact CD1-CD1 4.49Å; F276-I288 HydrophobicContact CD1-CG1 3.77Å; F276-I288 HydrophobicContact CD2-CG1 4.4Å; F276-I288 HydrophobicContact CE1-CD1 3.99Å; F276-I288 HydrophobicContact CE1-CG1 3.37Å; F276-I288 HydrophobicContact CE2-CG1 4.05Å; F276-I288 HydrophobicContact CG-CG1 4.27Å; F276-I288 HydrophobicContact CZ-CD1 4.43Å; F276-I288 HydrophobicContact CZ-CG1 3.52Å; F276-Y291 HydrophobicContact CB-CD1 3.65Å; F276-Y291 HydrophobicContact CB-CE1 3.65Å; F276-Y291 HydrophobicContact CB-CG 4.21Å; F276-Y291 HydrophobicContact CD2-CD1 4.02Å; F276-Y291 HydrophobicContact CD2-CD2 4.05Å; F276-Y291 AromaticContact CD2-CG 3.7Å; F276-Y291 HydrophobicContact CD2-CG 3.7Å; F276-Y291 HydrophobicContact CG-CD1 4.29Å; F276-Y291 HydrophobicContact CG-CG 4.42Å; F276-Y291 VanDerWaalsContact N-CE1 3.33Å; F276-Y291 PolarHBondContact N-OH 2.9Å; F276-Y292 HydrophobicContact CB-CE2 3.72Å; F276-Y292 HydrophobicContact CG-CE2 4.45Å | ||
| 277 | F | 84.4 | Confident | 80.6 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | trans | -110.7 | 124.8 | 174.3 | -169.7 | -100.4 | 0 | 0 | 0 | 108.5 | M135 V138 M181 Y184 V268 I271 L272 T275 I279 | M135-F277 HydrophobicContact CE-CE1 3.83Å; M135-F277 HydrophobicContact CE-CE2 4.42Å; M135-F277 HydrophobicContact CE-CZ 3.4Å; M135-F277 HydrophobicContact SD-CE2 4.45Å; M135-F277 HydrophobicContact SD-CZ 3.72Å; V138-F277 HydrophobicContact CG1-CD2 4.48Å; V138-F277 HydrophobicContact CG1-CE2 4.05Å; M181-F277 HydrophobicContact CE-CD2 4.23Å; Y184-F277 AromaticContact CD1-CE2 3.8Å; Y184-F277 HydrophobicContact CD1-CE2 3.8Å; Y184-F277 HydrophobicContact CD1-CZ 4.47Å; Y184-F277 HydrophobicContact CE1-CD2 4.19Å; Y184-F277 AromaticContact CE1-CE2 3.24Å; Y184-F277 HydrophobicContact CE1-CE2 3.24Å; Y184-F277 AromaticContact CE1-CZ 3.58Å; Y184-F277 HydrophobicContact CE1-CZ 3.58Å; Y184-F277 HydrophobicContact CE2-CE2 4.48Å; Y184-F277 HydrophobicContact CE2-CZ 4.3Å; Y184-F277 AromaticContact CZ-CE2 3.64Å; Y184-F277 AromaticContact CZ-CZ 3.46Å; Y184-F277 VanDerWaalsContact CZ-CZ 3.46Å; Y184-F277 VanDerWaalsContact OH-CZ 3.25Å; Y184-F277 WeakPolarHBondContact OH-CZ 3.35Å; V268-F277 HydrophobicContact CG1-CD1 4.11Å; V268-F277 HydrophobicContact CG2-CD1 4.32Å; V268-F277 HydrophobicContact CG2-CE1 4.31Å; I271-F277 HydrophobicContact CG2-CB 3.73Å; I271-F277 HydrophobicContact CG2-CD2 4.12Å; I271-F277 HydrophobicContact CG2-CG 4.08Å; L272-F277 HydrophobicContact CD2-CB 4.38Å; T275-F277 PolarHBondContact O-N 3.43Å; T275-F277 VanDerWaalsContact O-N 3.08Å; F277-I279 HydrophobicContact CD1-CG1 4.04Å; F277-I279 WeakPolarHBondContact O-CG1 3.23Å; F277-I279 PolarHBondContact O-N 3.22Å | ||
| 278 | N | 76.8 | Confident | 80.2 | Confident | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | trans | -83.5 | 108.8 | -177.6 | -171.2 | 4.9 | 0 | 0 | 0 | 110.7 | F276 K280 T284 | F276-N278 HydrophobicContact CE1-CB 4.08Å; N278-K280 PolarHBondContact OD1-N 3.27Å; N278-K280 PolarHBondContact OD1-O 2.69Å; N278-T284 WeakPolarHBondContact ND2-CG2 3.31Å; N278-T284 WeakPolarHBondContact OD1-CG2 3.43Å | ||
| 279 | I | 66.7 | Low | 79.9 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -94.8 | -18.2 | -173.2 | -49.2 | 164.3 | 0 | 0 | 0 | 111.6 | T247 T252 Y264 V268 L272 F277 F377 | T247-I279 HydrophobicContact CG2-CD1 3.73Å; T252-I279 HydrophobicContact CG2-CG2 3.22Å; Y264-I279 HydrophobicContact CE1-CG2 4.28Å; V268-I279 HydrophobicContact CG1-CD1 3.2Å; V268-I279 HydrophobicContact CG1-CG1 3.47Å; V268-I279 VanDerWaalsContact CG1-CG1 3.47Å; L272-I279 HydrophobicContact CD1-CD1 3.98Å; F277-I279 HydrophobicContact CD1-CG1 4.04Å; F277-I279 WeakPolarHBondContact O-CG1 3.23Å; F277-I279 PolarHBondContact O-N 3.22Å; I279-F377 HydrophobicContact CG2-CZ 3.88Å; I279-F377 WeakPolarHBondContact O-CE1 3.45Å; I279-F377 WeakPolarHBondContact O-CZ 3.27Å |
| 280 | K | 58.9 | Low | 79.6 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -149 | 111.4 | -177.1 | -139.3 | 166.6 | -167.6 | -172.3 | 0 | 106.2 | Q250 H251 N278 R282 Q380 | Q250-K280 VanDerWaalsContact O-CD 3.26Å; Q250-K280 WeakPolarHBondContact O-CD 3.44Å; Q250-K280 VanDerWaalsContact O-CE 3.27Å; Q250-K280 WeakPolarHBondContact O-CE 3.42Å; Q250-K280 PolarHBondContact O-NZ 2.88Å; H251-K280 PolarHBondContact O-NZ 2.83Å; N278-K280 PolarHBondContact OD1-N 3.27Å; N278-K280 PolarHBondContact OD1-O 2.69Å; K280-R282 VanDerWaalsContact CD-NH2 3.29Å; K280-R282 PolarHBondContact O-N 3.46Å; K280-Q380 WeakPolarHBondContact CE-OXT 3.32Å; K280-Q380 WeakPolarHBondContact CG-OXT 3.15Å |
| 281 | G | 55.7 | Low | 79.5 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | trans | -65.5 | 22.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116 | Y349 | G281-Y349 VanDerWaalsContact O-CB 3.28Å; G281-Y349 WeakPolarHBondContact O-CB 3.25Å; G281-Y349 WeakPolarHBondContact O-CD1 3.28Å | ||
| 282 | R | 54.8 | Low | 79.4 | Confident | 125 Ų | 125 | 45.6 Ų | 45.6 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -77 | 174.8 | 173.4 | -84.7 | -162.8 | -83.2 | -113.9 | -19.2 | 112.5 | K280 T284 Q380 | K280-R282 VanDerWaalsContact CD-NH2 3.29Å; K280-R282 PolarHBondContact O-N 3.46Å; R282-T284 WeakPolarHBondContact O-CG2 3.17Å; R282-T284 PolarHBondContact O-N 3Å; R282-Q380 PolarHBondContact NH1-O 3.15Å; R282-Q380 VanDerWaalsContact NH2-C 3.26Å; R282-Q380 PolarHBondContact NH2-O 3.24Å; R282-Q380 PolarHBondContact NH2-OXT 2.79Å; R282-Q380 VanDerWaalsContact NH2-OXT 3.08Å |
| 283 | K | 54.1 | Low | 79.3 | Confident | 207 Ų | 207 | 47.3 Ų | 47.3 | 90% | 0.9 | 24% | 0.241 | S | C | * | . | trans | -46 | 90.8 | -177.8 | -65.6 | -178.4 | -178.7 | 176.9 | 0 | 112.3 | ||||
| 284 | T | 66.9 | Low | 79.2 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | trans | -87.3 | -10.7 | -167.9 | 47.1 | 0 | 0 | 0 | 0 | 114.1 | N278 R282 V286 C287 I288 | N278-T284 WeakPolarHBondContact ND2-CG2 3.31Å; N278-T284 WeakPolarHBondContact OD1-CG2 3.43Å; R282-T284 WeakPolarHBondContact O-CG2 3.17Å; R282-T284 PolarHBondContact O-N 3Å; T284-V286 PolarHBondContact O-N 3.37Å; T284-C287 PolarHBondContact O-N 3.02Å; T284-I288 VanDerWaalsContact CB-CD1 3.41Å; T284-I288 HydrophobicContact CG2-CD1 4.49Å; T284-I288 WeakPolarHBondContact O-CB 3.21Å; T284-I288 WeakPolarHBondContact O-CD1 3.45Å; T284-I288 WeakPolarHBondContact O-CG1 3.25Å; T284-I288 PolarHBondContact O-N 3.17Å; T284-I288 WeakPolarHBondContact OG1-CD1 3.3Å | ||
| 285 | K | 75.1 | Confident | 79.2 | Confident | 113 Ų | 113 | 50 Ų | 50 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.2 | -45.8 | -171.1 | -67.9 | -171.9 | 179 | -177.4 | 0 | 113.3 | S289 | K285-S289 VanDerWaalsContact O-CB 3.31Å; K285-S289 WeakPolarHBondContact O-CB 3.49Å; K285-S289 PolarHBondContact O-N 3.39Å |
| 286 | V | 80.4 | Confident | 79.3 | Confident | 103 Ų | 103 | 51.5 Ų | 51.5 | 62% | 0.624 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.1 | -45.2 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | T284 I288 S289 I290 | T284-V286 PolarHBondContact O-N 3.37Å; V286-I288 VanDerWaalsContact C-N 3.34Å; V286-I288 PolarHBondContact O-N 3.24Å; V286-S289 PolarHBondContact O-N 3.35Å; V286-I290 HydrophobicContact CG1-CD1 3.72Å; V286-I290 HydrophobicContact CG1-CG1 4.33Å; V286-I290 VanDerWaalsContact O-CG1 3.31Å; V286-I290 WeakPolarHBondContact O-CG1 3.41Å; V286-I290 PolarHBondContact O-N 2.88Å |
| 287 | C | 83.3 | Confident | 79.5 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 25% | 0.25 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 179.5 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | W246 T284 Y291 | W246-C287 HydrophobicContact CH2-CB 4.5Å; W246-C287 HydrophobicContact CZ2-CB 4.08Å; W246-C287 VanDerWaalsContact CZ2-SG 3.6Å; T284-C287 PolarHBondContact O-N 3.02Å; C287-Y291 VanDerWaalsContact O-CB 3.28Å; C287-Y291 WeakPolarHBondContact O-CB 3.36Å; C287-Y291 PolarHBondContact O-N 3.07Å |
| 288 | I | 86.3 | Confident | 80 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.7 | -68.8 | 161.3 | 0 | 0 | 0 | 110.2 | F276 T284 V286 Y291 Y292 L337 Y341 | F276-I288 HydrophobicContact CD1-CD1 4.49Å; F276-I288 HydrophobicContact CD1-CG1 3.77Å; F276-I288 HydrophobicContact CD2-CG1 4.4Å; F276-I288 HydrophobicContact CE1-CD1 3.99Å; F276-I288 HydrophobicContact CE1-CG1 3.37Å; F276-I288 HydrophobicContact CE2-CG1 4.05Å; F276-I288 HydrophobicContact CG-CG1 4.27Å; F276-I288 HydrophobicContact CZ-CD1 4.43Å; F276-I288 HydrophobicContact CZ-CG1 3.52Å; T284-I288 VanDerWaalsContact CB-CD1 3.41Å; T284-I288 HydrophobicContact CG2-CD1 4.49Å; T284-I288 WeakPolarHBondContact O-CB 3.21Å; T284-I288 WeakPolarHBondContact O-CD1 3.45Å; T284-I288 WeakPolarHBondContact O-CG1 3.25Å; T284-I288 PolarHBondContact O-N 3.17Å; T284-I288 WeakPolarHBondContact OG1-CD1 3.3Å; V286-I288 VanDerWaalsContact C-N 3.34Å; V286-I288 PolarHBondContact O-N 3.24Å; I288-Y291 PolarHBondContact O-N 3.26Å; I288-Y292 HydrophobicContact CG2-CD2 3.68Å; I288-Y292 HydrophobicContact CG2-CE2 3.98Å; I288-Y292 WeakPolarHBondContact O-CD2 3.38Å; I288-Y292 PolarHBondContact O-N 2.92Å; I288-L337 HydrophobicContact CG2-CD1 4.46Å; I288-Y341 HydrophobicContact CD1-CD1 4.41Å; I288-Y341 HydrophobicContact CD1-CE1 3.4Å; I288-Y341 VanDerWaalsContact CD1-OH 3.26Å; I288-Y341 WeakPolarHBondContact CD1-OH 3.37Å; I288-Y341 HydrophobicContact CG2-CE1 4.47Å; I288-Y341 HydrophobicContact CG2-CE2 4.1Å |
| 289 | S | 86.4 | Confident | 80.9 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | K285 V286 Y291 A293 | K285-S289 VanDerWaalsContact O-CB 3.31Å; K285-S289 WeakPolarHBondContact O-CB 3.49Å; K285-S289 PolarHBondContact O-N 3.39Å; V286-S289 PolarHBondContact O-N 3.35Å; S289-Y291 VanDerWaalsContact C-N 3.34Å; S289-Y291 PolarHBondContact O-N 3.17Å; S289-A293 WeakPolarHBondContact O-CB 3.47Å; S289-A293 PolarHBondContact O-N 2.91Å |
| 290 | I | 89.7 | Confident | 82.2 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.4 | -68 | 168.7 | 0 | 0 | 0 | 110.7 | V286 T294 | V286-I290 HydrophobicContact CG1-CD1 3.72Å; V286-I290 HydrophobicContact CG1-CG1 4.33Å; V286-I290 VanDerWaalsContact O-CG1 3.31Å; V286-I290 WeakPolarHBondContact O-CG1 3.41Å; V286-I290 PolarHBondContact O-N 2.88Å; I290-T294 WeakPolarHBondContact O-CB 3.25Å; I290-T294 PolarHBondContact O-N 2.71Å; I290-T294 PolarHBondContact O-OG1 3.47Å |
| 291 | Y | 91.6 | Very high | 83.8 | Confident | 31 Ų | 31 | 60.9 Ų | 60.9 | 12% | 0.122 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.5 | -55.2 | 179.7 | 178.5 | -89.6 | 0 | 0 | 0 | 111.8 | L272 T275 F276 C287 I288 S289 A293 T294 H295 | L272-Y291 HydrophobicContact CD2-CE2 4.3Å; L272-Y291 VanDerWaalsContact O-CE2 3.27Å; L272-Y291 WeakPolarHBondContact O-CE2 3.12Å; L272-Y291 PolarHBondContact O-OH 2.88Å; T275-Y291 VanDerWaalsContact CA-OH 3.25Å; T275-Y291 WeakPolarHBondContact CA-OH 3.41Å; T275-Y291 PolarHBondContact N-OH 3.5Å; T275-Y291 PolarHBondContact O-OH 2.9Å; F276-Y291 HydrophobicContact CB-CD1 3.65Å; F276-Y291 HydrophobicContact CB-CE1 3.65Å; F276-Y291 HydrophobicContact CB-CG 4.21Å; F276-Y291 HydrophobicContact CD2-CD1 4.02Å; F276-Y291 HydrophobicContact CD2-CD2 4.05Å; F276-Y291 AromaticContact CD2-CG 3.7Å; F276-Y291 HydrophobicContact CD2-CG 3.7Å; F276-Y291 HydrophobicContact CG-CD1 4.29Å; F276-Y291 HydrophobicContact CG-CG 4.42Å; F276-Y291 VanDerWaalsContact N-CE1 3.33Å; F276-Y291 PolarHBondContact N-OH 2.9Å; C287-Y291 VanDerWaalsContact O-CB 3.28Å; C287-Y291 WeakPolarHBondContact O-CB 3.36Å; C287-Y291 PolarHBondContact O-N 3.07Å; I288-Y291 PolarHBondContact O-N 3.26Å; S289-Y291 VanDerWaalsContact C-N 3.34Å; S289-Y291 PolarHBondContact O-N 3.17Å; Y291-A293 VanDerWaalsContact C-N 3.34Å; Y291-A293 PolarHBondContact O-N 3.08Å; Y291-T294 PolarHBondContact O-N 2.98Å; Y291-H295 AromaticContact CE1-CD2 3.72Å; Y291-H295 AromaticContact CE1-NE2 3.81Å; Y291-H295 AromaticContact CE2-CD2 3.74Å; Y291-H295 AromaticContact CE2-NE2 3.33Å; Y291-H295 VanDerWaalsContact CE2-NE2 3.33Å; Y291-H295 WeakPolarHBondContact CE2-NE2 3.4Å; Y291-H295 AromaticContact CZ-CD2 3.54Å; Y291-H295 AromaticContact CZ-CE1 3.67Å; Y291-H295 AromaticContact CZ-NE2 3.15Å; Y291-H295 PolarHBondContact O-CD2 3.3Å; Y291-H295 PolarHBondContact O-N 3.48Å; Y291-H295 PolarHBondContact OH-CE1 2.74Å; Y291-H295 VanDerWaalsContact OH-CE1 3.26Å; Y291-H295 PolarHBondContact OH-NE2 2.86Å; Y291-H295 VanDerWaalsContact OH-NE2 3.17Å |
| 292 | Y | 92.3 | Very high | 85.6 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.6 | -32.4 | -177.7 | -79.3 | -72.4 | 0 | 0 | 0 | 112.4 | Y209 K210 T213 F276 I288 T296 L337 | Y209-Y292 HydrophobicContact CE2-CE1 4.06Å; Y209-Y292 HydrophobicContact CE2-CE2 4.19Å; Y209-Y292 AromaticContact CE2-CZ 3.66Å; Y209-Y292 AromaticContact CZ-CZ 3.77Å; Y209-Y292 WeakPolarHBondContact OH-CE2 2.82Å; Y209-Y292 PolarHBondContact OH-OH 3Å; K210-Y292 PolarHBondContact NZ-OH 3.21Å; T213-Y292 HydrophobicContact CG2-CD1 4.47Å; T213-Y292 HydrophobicContact CG2-CE1 4Å; F276-Y292 HydrophobicContact CB-CE2 3.72Å; F276-Y292 HydrophobicContact CG-CE2 4.45Å; I288-Y292 HydrophobicContact CG2-CD2 3.68Å; I288-Y292 HydrophobicContact CG2-CE2 3.98Å; I288-Y292 WeakPolarHBondContact O-CD2 3.38Å; I288-Y292 PolarHBondContact O-N 2.92Å; Y292-T296 VanDerWaalsContact O-CB 3.29Å; Y292-T296 WeakPolarHBondContact O-CB 3.36Å; Y292-T296 PolarHBondContact O-N 3.24Å; Y292-T296 PolarHBondContact O-OG1 3.45Å; Y292-L337 HydrophobicContact CD1-CD2 4.13Å; Y292-L337 HydrophobicContact CD2-CD1 4.01Å; Y292-L337 HydrophobicContact CD2-CD2 3.85Å; Y292-L337 HydrophobicContact CE2-CD1 3.98Å; Y292-L337 HydrophobicContact CG-CD2 3.66Å |
| 293 | A | 92.3 | Very high | 87.3 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | S289 Y291 T296 L297 | S289-A293 WeakPolarHBondContact O-CB 3.47Å; S289-A293 PolarHBondContact O-N 2.91Å; Y291-A293 VanDerWaalsContact C-N 3.34Å; Y291-A293 PolarHBondContact O-N 3.08Å; A293-T296 PolarHBondContact O-N 2.89Å; A293-L297 VanDerWaalsContact O-CG 3.32Å; A293-L297 WeakPolarHBondContact O-CG 3.29Å; A293-L297 PolarHBondContact O-N 2.76Å |
| 294 | T | 92.7 | Very high | 89 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 177.3 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | I290 Y291 T296 L297 V298 | I290-T294 WeakPolarHBondContact O-CB 3.25Å; I290-T294 PolarHBondContact O-N 2.71Å; I290-T294 PolarHBondContact O-OG1 3.47Å; Y291-T294 PolarHBondContact O-N 2.98Å; T294-T296 VanDerWaalsContact C-N 3.31Å; T294-T296 PolarHBondContact O-N 3.21Å; T294-L297 PolarHBondContact O-N 2.97Å; T294-V298 HydrophobicContact CG2-CG2 4.48Å; T294-V298 WeakPolarHBondContact O-CG2 3.5Å; T294-V298 PolarHBondContact O-N 3.36Å |
| 295 | H | 92.2 | Very high | 90.1 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 176.4 | -88.4 | -107.6 | 0 | 0 | 0 | 112.6 | W217 I273 Y291 T299 | W217-H295 AromaticContact CD2-CE1 3.91Å; W217-H295 AromaticContact CD2-ND1 3.4Å; W217-H295 AromaticContact CE2-CE1 3.6Å; W217-H295 AromaticContact CE2-ND1 3.57Å; W217-H295 HydrophobicContact CE3-CB 4.46Å; W217-H295 AromaticContact CE3-ND1 3.51Å; W217-H295 AromaticContact CG-ND1 3.94Å; W217-H295 AromaticContact CZ2-CE1 3.81Å; W217-H295 AromaticContact CZ2-ND1 3.91Å; W217-H295 AromaticContact CZ3-ND1 3.82Å; W217-H295 AromaticContact NE1-CE1 3.85Å; I273-H295 PolarHBondContact O-CE1 3.18Å; Y291-H295 AromaticContact CE1-CD2 3.72Å; Y291-H295 AromaticContact CE1-NE2 3.81Å; Y291-H295 AromaticContact CE2-CD2 3.74Å; Y291-H295 AromaticContact CE2-NE2 3.33Å; Y291-H295 VanDerWaalsContact CE2-NE2 3.33Å; Y291-H295 WeakPolarHBondContact CE2-NE2 3.4Å; Y291-H295 AromaticContact CZ-CD2 3.54Å; Y291-H295 AromaticContact CZ-CE1 3.67Å; Y291-H295 AromaticContact CZ-NE2 3.15Å; Y291-H295 PolarHBondContact O-CD2 3.3Å; Y291-H295 PolarHBondContact O-N 3.48Å; Y291-H295 PolarHBondContact OH-CE1 2.74Å; Y291-H295 VanDerWaalsContact OH-CE1 3.26Å; Y291-H295 PolarHBondContact OH-NE2 2.86Å; Y291-H295 VanDerWaalsContact OH-NE2 3.17Å; H295-T299 WeakPolarHBondContact O-CB 3.44Å; H295-T299 PolarHBondContact O-N 2.85Å; H295-T299 PolarHBondContact O-OG1 3.47Å |
| 296 | T | 94.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 110.4 | Y292 A293 T294 V298 T299 L300 L330 | Y292-T296 VanDerWaalsContact O-CB 3.29Å; Y292-T296 WeakPolarHBondContact O-CB 3.36Å; Y292-T296 PolarHBondContact O-N 3.24Å; Y292-T296 PolarHBondContact O-OG1 3.45Å; A293-T296 PolarHBondContact O-N 2.89Å; T294-T296 VanDerWaalsContact C-N 3.31Å; T294-T296 PolarHBondContact O-N 3.21Å; T296-V298 PolarHBondContact O-N 3.49Å; T296-T299 PolarHBondContact O-N 3.03Å; T296-L300 HydrophobicContact CG2-CD1 4.08Å; T296-L300 HydrophobicContact CG2-CG 4.43Å; T296-L300 WeakPolarHBondContact O-CB 3.47Å; T296-L300 VanDerWaalsContact O-CG 3.3Å; T296-L300 WeakPolarHBondContact O-CG 3.47Å; T296-L300 PolarHBondContact O-N 2.95Å; T296-L330 HydrophobicContact CG2-CD1 4.49Å; T296-L330 HydrophobicContact CG2-CD2 4.37Å |
| 297 | L | 95.1 | Very high | 90.5 | Very high | 121 Ų | 121 | 50.7 Ų | 50.7 | 63% | 0.634 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 177.8 | -72 | 173.7 | 0 | 0 | 0 | 112.1 | A293 T294 L300 G301 | A293-L297 VanDerWaalsContact O-CG 3.32Å; A293-L297 WeakPolarHBondContact O-CG 3.29Å; A293-L297 PolarHBondContact O-N 2.76Å; T294-L297 PolarHBondContact O-N 2.97Å; L297-L300 PolarHBondContact O-N 2.75Å; L297-G301 PolarHBondContact O-N 2.94Å |
| 298 | V | 95 | Very high | 90.4 | Very high | 35 Ų | 35 | 55.5 Ų | 55.5 | 21% | 0.212 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.6 | 176 | 0 | 0 | 0 | 0 | 110.9 | W217 L235 T294 T296 G301 I302 | W217-V298 HydrophobicContact CH2-CB 4.1Å; W217-V298 HydrophobicContact CH2-CG1 3.63Å; W217-V298 HydrophobicContact CZ3-CB 4Å; W217-V298 HydrophobicContact CZ3-CG1 3.84Å; L235-V298 HydrophobicContact CD1-CG1 4.11Å; L235-V298 HydrophobicContact CD2-CG1 4.21Å; T294-V298 HydrophobicContact CG2-CG2 4.48Å; T294-V298 WeakPolarHBondContact O-CG2 3.5Å; T294-V298 PolarHBondContact O-N 3.36Å; T296-V298 PolarHBondContact O-N 3.49Å; V298-G301 PolarHBondContact O-N 3.38Å; V298-I302 HydrophobicContact CG1-CD1 4Å; V298-I302 HydrophobicContact CG1-CG1 4.45Å; V298-I302 WeakPolarHBondContact O-CG1 3.44Å; V298-I302 PolarHBondContact O-N 2.7Å |
| 299 | T | 94.6 | Very high | 90 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 177 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | H295 T296 G301 I302 L303 T326 L330 | H295-T299 WeakPolarHBondContact O-CB 3.44Å; H295-T299 PolarHBondContact O-N 2.85Å; H295-T299 PolarHBondContact O-OG1 3.47Å; T296-T299 PolarHBondContact O-N 3.03Å; T299-G301 VanDerWaalsContact C-N 3.33Å; T299-G301 PolarHBondContact O-N 3.16Å; T299-I302 PolarHBondContact O-N 3.34Å; T299-L303 HydrophobicContact CG2-CD1 4.27Å; T299-L303 WeakPolarHBondContact O-CG 3.36Å; T299-L303 PolarHBondContact O-N 3.45Å; T299-T326 HydrophobicContact CG2-CG2 4.08Å; T299-L330 HydrophobicContact CG2-CD2 3.98Å |
| 300 | L | 94.3 | Very high | 89.1 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 175.2 | -69 | 175.4 | 0 | 0 | 0 | 111.5 | T296 L297 L303 F304 L330 | T296-L300 HydrophobicContact CG2-CD1 4.08Å; T296-L300 HydrophobicContact CG2-CG 4.43Å; T296-L300 WeakPolarHBondContact O-CB 3.47Å; T296-L300 VanDerWaalsContact O-CG 3.3Å; T296-L300 WeakPolarHBondContact O-CG 3.47Å; T296-L300 PolarHBondContact O-N 2.95Å; L297-L300 PolarHBondContact O-N 2.75Å; L300-L303 PolarHBondContact O-N 3.26Å; L300-F304 VanDerWaalsContact O-CB 3.28Å; L300-F304 WeakPolarHBondContact O-CB 3.48Å; L300-F304 PolarHBondContact O-N 2.7Å; L300-L330 HydrophobicContact CD2-CD2 4.43Å |
| 301 | G | 93.2 | Very high | 87.9 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L297 V298 T299 F304 V305 | L297-G301 PolarHBondContact O-N 2.94Å; V298-G301 PolarHBondContact O-N 3.38Å; T299-G301 VanDerWaalsContact C-N 3.33Å; T299-G301 PolarHBondContact O-N 3.16Å; G301-F304 PolarHBondContact O-N 3.29Å; G301-V305 VanDerWaalsContact O-CG2 3.3Å; G301-V305 WeakPolarHBondContact O-CG2 3.41Å; G301-V305 PolarHBondContact O-N 3.21Å |
| 302 | I | 92.4 | Very high | 86.3 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 175.4 | -68.9 | 163.9 | 0 | 0 | 0 | 111 | S220 L223 I224 L235 V298 T299 F304 V305 Y306 | S220-I302 WeakPolarHBondContact O-CG2 3.28Å; L223-I302 HydrophobicContact CB-CG2 4.48Å; I224-I302 HydrophobicContact CB-CG1 4.37Å; I224-I302 HydrophobicContact CB-CG2 3.88Å; I224-I302 HydrophobicContact CG2-CD1 4.24Å; I224-I302 HydrophobicContact CG2-CG1 4.5Å; I224-I302 HydrophobicContact CG2-CG2 4.45Å; L235-I302 HydrophobicContact CD2-CD1 3.85Å; L235-I302 HydrophobicContact CD2-CG1 4.44Å; V298-I302 HydrophobicContact CG1-CD1 4Å; V298-I302 HydrophobicContact CG1-CG1 4.45Å; V298-I302 WeakPolarHBondContact O-CG1 3.44Å; V298-I302 PolarHBondContact O-N 2.7Å; T299-I302 PolarHBondContact O-N 3.34Å; I302-F304 VanDerWaalsContact C-N 3.28Å; I302-F304 PolarHBondContact O-N 2.94Å; I302-V305 PolarHBondContact O-N 3.41Å; I302-Y306 WeakPolarHBondContact O-CB 3.41Å; I302-Y306 PolarHBondContact O-N 2.8Å |
| 303 | L | 91.6 | Very high | 84.7 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 177.6 | -72.3 | 170.6 | 0 | 0 | 0 | 111.3 | L223 T299 L300 Y306 L307 T326 V327 | L223-L303 HydrophobicContact CD1-CD2 3.94Å; T299-L303 HydrophobicContact CG2-CD1 4.27Å; T299-L303 WeakPolarHBondContact O-CG 3.36Å; T299-L303 PolarHBondContact O-N 3.45Å; L300-L303 PolarHBondContact O-N 3.26Å; L303-Y306 PolarHBondContact O-N 3.18Å; L303-L307 WeakPolarHBondContact O-CG 3.3Å; L303-L307 PolarHBondContact O-N 2.93Å; L303-T326 HydrophobicContact CD1-CG2 4.3Å; L303-T326 HydrophobicContact CD2-CG2 4.26Å; L303-V327 HydrophobicContact CD1-CG2 3.72Å |
| 304 | F | 89.9 | Confident | 82.8 | Confident | 122 Ų | 122 | 76.5 Ų | 76.5 | 54% | 0.535 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.4 | -51.4 | 175.3 | -178.2 | -91.2 | 0 | 0 | 0 | 111.7 | L300 G301 I302 Y306 L307 F308 | L300-F304 VanDerWaalsContact O-CB 3.28Å; L300-F304 WeakPolarHBondContact O-CB 3.48Å; L300-F304 PolarHBondContact O-N 2.7Å; G301-F304 PolarHBondContact O-N 3.29Å; I302-F304 VanDerWaalsContact C-N 3.28Å; I302-F304 PolarHBondContact O-N 2.94Å; F304-Y306 PolarHBondContact O-N 3.34Å; F304-L307 PolarHBondContact O-N 2.87Å; F304-F308 AromaticContact CD1-CD2 3.93Å; F304-F308 HydrophobicContact CD1-CD2 3.93Å; F304-F308 HydrophobicContact CD1-CE2 4.18Å; F304-F308 HydrophobicContact CD2-CD2 4.09Å; F304-F308 AromaticContact CD2-CE2 3.7Å; F304-F308 HydrophobicContact CD2-CE2 3.7Å; F304-F308 AromaticContact CE1-CD2 3.63Å; F304-F308 HydrophobicContact CE1-CD2 3.63Å; F304-F308 AromaticContact CE1-CE2 3.63Å; F304-F308 HydrophobicContact CE1-CE2 3.63Å; F304-F308 HydrophobicContact CE1-CG 4.33Å; F304-F308 HydrophobicContact CE1-CZ 4.26Å; F304-F308 AromaticContact CE2-CD2 3.85Å; F304-F308 HydrophobicContact CE2-CD2 3.85Å; F304-F308 AromaticContact CE2-CE2 3.1Å; F304-F308 HydrophobicContact CE2-CE2 3.1Å; F304-F308 AromaticContact CE2-CZ 3.8Å; F304-F308 HydrophobicContact CE2-CZ 3.8Å; F304-F308 HydrophobicContact CG-CD2 4.15Å; F304-F308 HydrophobicContact CG-CE2 4.21Å; F304-F308 AromaticContact CZ-CD2 3.6Å; F304-F308 HydrophobicContact CZ-CD2 3.6Å; F304-F308 HydrophobicContact CZ-CE1 4.39Å; F304-F308 AromaticContact CZ-CE2 3.06Å; F304-F308 HydrophobicContact CZ-CE2 3.06Å; F304-F308 HydrophobicContact CZ-CG 4.47Å; F304-F308 AromaticContact CZ-CZ 3.5Å; F304-F308 HydrophobicContact CZ-CZ 3.5Å; F304-F308 WeakPolarHBondContact O-CD2 3.27Å; F304-F308 PolarHBondContact O-N 2.87Å; F304-F308 VanDerWaalsContact O-N 3.11Å |
| 305 | V | 88.4 | Confident | 81.5 | Confident | 57 Ų | 57 | 77.2 Ų | 77.2 | 35% | 0.345 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55.5 | -42.3 | 176.6 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | I224 L227 G301 I302 F308 W309 | I224-V305 HydrophobicContact CD1-CG1 4.47Å; L227-V305 HydrophobicContact CD2-CG1 3.68Å; G301-V305 VanDerWaalsContact O-CG2 3.3Å; G301-V305 WeakPolarHBondContact O-CG2 3.41Å; G301-V305 PolarHBondContact O-N 3.21Å; I302-V305 PolarHBondContact O-N 3.41Å; V305-F308 PolarHBondContact O-N 3.24Å; V305-W309 WeakPolarHBondContact O-CB 3.31Å; V305-W309 PolarHBondContact O-N 3.12Å |
| 306 | Y | 82.9 | Confident | 80.4 | Confident | 16 Ų | 16 | 79.8 Ų | 79.8 | 6% | 0.063 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.3 | 171.5 | -97.4 | 0 | 0 | 0 | 112.8 | I302 L303 F304 F308 K310 F319 | I302-Y306 WeakPolarHBondContact O-CB 3.41Å; I302-Y306 PolarHBondContact O-N 2.8Å; L303-Y306 PolarHBondContact O-N 3.18Å; F304-Y306 PolarHBondContact O-N 3.34Å; Y306-F308 VanDerWaalsContact C-N 3.31Å; Y306-F308 PolarHBondContact O-N 3.22Å; Y306-K310 WeakPolarHBondContact O-CA 3.25Å; Y306-K310 PolarHBondContact O-N 3.37Å; Y306-F319 HydrophobicContact CE2-CB 4.17Å; Y306-F319 HydrophobicContact CE2-CD1 4.16Å; Y306-F319 HydrophobicContact CE2-CG 4.27Å; Y306-F319 WeakPolarHBondContact OH-CB 3.47Å |
| 307 | L | 82.1 | Confident | 79.5 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | 177.7 | -71.4 | 173.3 | 0 | 0 | 0 | 112.5 | L303 F304 | L303-L307 WeakPolarHBondContact O-CG 3.3Å; L303-L307 PolarHBondContact O-N 2.93Å; F304-L307 PolarHBondContact O-N 2.87Å |
| 308 | F | 81.9 | Confident | 78.6 | Confident | 139 Ų | 139 | 81.3 Ų | 81.3 | 61% | 0.61 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -79.6 | -34.3 | -179.2 | -83.9 | -96.3 | 0 | 0 | 0 | 113.5 | F304 V305 Y306 | F304-F308 AromaticContact CD1-CD2 3.93Å; F304-F308 HydrophobicContact CD1-CD2 3.93Å; F304-F308 HydrophobicContact CD1-CE2 4.18Å; F304-F308 HydrophobicContact CD2-CD2 4.09Å; F304-F308 AromaticContact CD2-CE2 3.7Å; F304-F308 HydrophobicContact CD2-CE2 3.7Å; F304-F308 AromaticContact CE1-CD2 3.63Å; F304-F308 HydrophobicContact CE1-CD2 3.63Å; F304-F308 AromaticContact CE1-CE2 3.63Å; F304-F308 HydrophobicContact CE1-CE2 3.63Å; F304-F308 HydrophobicContact CE1-CG 4.33Å; F304-F308 HydrophobicContact CE1-CZ 4.26Å; F304-F308 AromaticContact CE2-CD2 3.85Å; F304-F308 HydrophobicContact CE2-CD2 3.85Å; F304-F308 AromaticContact CE2-CE2 3.1Å; F304-F308 HydrophobicContact CE2-CE2 3.1Å; F304-F308 AromaticContact CE2-CZ 3.8Å; F304-F308 HydrophobicContact CE2-CZ 3.8Å; F304-F308 HydrophobicContact CG-CD2 4.15Å; F304-F308 HydrophobicContact CG-CE2 4.21Å; F304-F308 AromaticContact CZ-CD2 3.6Å; F304-F308 HydrophobicContact CZ-CD2 3.6Å; F304-F308 HydrophobicContact CZ-CE1 4.39Å; F304-F308 AromaticContact CZ-CE2 3.06Å; F304-F308 HydrophobicContact CZ-CE2 3.06Å; F304-F308 HydrophobicContact CZ-CG 4.47Å; F304-F308 AromaticContact CZ-CZ 3.5Å; F304-F308 HydrophobicContact CZ-CZ 3.5Å; F304-F308 WeakPolarHBondContact O-CD2 3.27Å; F304-F308 PolarHBondContact O-N 2.87Å; F304-F308 VanDerWaalsContact O-N 3.11Å; V305-F308 PolarHBondContact O-N 3.24Å; Y306-F308 VanDerWaalsContact C-N 3.31Å; Y306-F308 PolarHBondContact O-N 3.22Å |
| 309 | W | 77 | Confident | 77.9 | Confident | 190 Ų | 190 | 81.1 Ų | 81.1 | 72% | 0.72 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -105.3 | 22.5 | -177.5 | -108.6 | -84 | 0 | 0 | 0 | 113.2 | L227 V305 P311 | L227-W309 HydrophobicContact CD1-CB 4.22Å; L227-W309 HydrophobicContact CD2-CB 4.22Å; V305-W309 WeakPolarHBondContact O-CB 3.31Å; V305-W309 PolarHBondContact O-N 3.12Å; W309-P311 VanDerWaalsContact O-CD 3.27Å; W309-P311 WeakPolarHBondContact O-CD 3.26Å; W309-P311 VanDerWaalsContact O-N 3.15Å |
| 310 | K | 68.3 | Low | 77.4 | Confident | 81 Ų | 81 | 84.8 Ų | 84.8 | 35% | 0.352 | 44% | 0.442 | S | S | . | . | trans | -53.1 | 116.6 | -178.1 | -175.8 | -174.3 | 172.9 | -162.8 | 0 | 110.6 | Y306 E316 | Y306-K310 WeakPolarHBondContact O-CA 3.25Å; Y306-K310 PolarHBondContact O-N 3.37Å; K310-E316 WeakPolarHBondContact CE-OE1 3.5Å; K310-E316 IonicContact NZ-OE1 3.5Å; K310-E316 PolarHBondContact NZ-OE1 2.79Å; K310-E316 IonicContact NZ-OE2 3.76Å; K310-E316 PolarHBondContact NZ-OE2 2.88Å | ||
| 311 | P | 64.3 | Low | 77 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | trans | -68.4 | 137.1 | 174 | -13.8 | 28 | 0 | 0 | 0 | 110.3 | W309 D313 | W309-P311 VanDerWaalsContact O-CD 3.27Å; W309-P311 WeakPolarHBondContact O-CD 3.26Å; W309-P311 VanDerWaalsContact O-N 3.15Å; P311-D313 PolarHBondContact O-N 2.98Å; P311-D313 VanDerWaalsContact O-N 3.11Å | ||
| 312 | S | 57.6 | Low | 76.8 | Confident | 117 Ų | 117 | 84.1 Ų | 84.1 | 82% | 0.818 | 43% | 0.431 | S | S | * | . | trans | -78.1 | 18 | -176.8 | -49.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 313 | D | 57.8 | Low | 76.7 | Confident | 121 Ų | 121 | 84.4 Ų | 84.4 | 65% | 0.647 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -89.5 | 160.3 | -173.8 | -78.8 | -39.4 | 0 | 0 | 0 | 113.7 | P311 K315 E316 | P311-D313 PolarHBondContact O-N 2.98Å; P311-D313 VanDerWaalsContact O-N 3.11Å; D313-K315 PolarHBondContact O-N 3.44Å; D313-E316 VanDerWaalsContact O-CG 3.3Å; D313-E316 WeakPolarHBondContact O-CG 3.37Å; D313-E316 PolarHBondContact O-N 3.5Å |
| 314 | T | 53.5 | Low | 76.7 | Confident | 149 Ų | 149 | 86.3 Ų | 86.3 | 91% | 0.914 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -0.8 | -174.9 | 41.3 | 0 | 0 | 0 | 0 | 117.8 | ||
| 315 | K | 65.3 | Low | 76.9 | Confident | 79 Ų | 79 | 84.6 Ų | 84.6 | 34% | 0.343 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 8.2 | 179.1 | -67.5 | -172.5 | 175.9 | -165.6 | 0 | 114.4 | M157 Q158 D313 V317 Y318 F319 | M157-K315 PolarHBondContact O-NZ 3.06Å; M157-K315 VanDerWaalsContact O-NZ 3.09Å; Q158-K315 PolarHBondContact O-NZ 3.06Å; D313-K315 PolarHBondContact O-N 3.44Å; K315-V317 PolarHBondContact O-N 2.93Å; K315-V317 VanDerWaalsContact O-N 3.09Å; K315-Y318 PolarHBondContact O-N 3Å; K315-F319 HydrophobicContact CB-CD2 3.8Å; K315-F319 HydrophobicContact CB-CE2 3.53Å; K315-F319 HydrophobicContact CD-CE2 4.29Å; K315-F319 WeakPolarHBondContact O-CD2 3.37Å; K315-F319 PolarHBondContact O-N 3.28Å |
| 316 | E | 68.9 | Low | 77.2 | Confident | 76 Ų | 76 | 81.9 Ų | 81.9 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -53 | -35.5 | -173 | -60.3 | -153.7 | 150.8 | 0 | 0 | 114.8 | K310 D313 T320 | K310-E316 WeakPolarHBondContact CE-OE1 3.5Å; K310-E316 IonicContact NZ-OE1 3.5Å; K310-E316 PolarHBondContact NZ-OE1 2.79Å; K310-E316 IonicContact NZ-OE2 3.76Å; K310-E316 PolarHBondContact NZ-OE2 2.88Å; D313-E316 VanDerWaalsContact O-CG 3.3Å; D313-E316 WeakPolarHBondContact O-CG 3.37Å; D313-E316 PolarHBondContact O-N 3.5Å; E316-T320 VanDerWaalsContact O-CB 3.32Å; E316-T320 WeakPolarHBondContact O-CB 3.48Å; E316-T320 PolarHBondContact O-N 3.23Å; E316-T320 PolarHBondContact O-OG1 2.81Å |
| 317 | V | 75.6 | Confident | 77.8 | Confident | 103 Ų | 103 | 84.5 Ų | 84.5 | 62% | 0.624 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.8 | -49.2 | -177.4 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | K315 F319 T320 I321 | K315-V317 PolarHBondContact O-N 2.93Å; K315-V317 VanDerWaalsContact O-N 3.09Å; V317-F319 PolarHBondContact O-N 3.18Å; V317-T320 PolarHBondContact O-N 3.36Å; V317-I321 HydrophobicContact CG1-CD1 3.89Å; V317-I321 VanDerWaalsContact O-CG1 3.31Å; V317-I321 WeakPolarHBondContact O-CG1 3.23Å; V317-I321 PolarHBondContact O-N 3.3Å |
| 318 | Y | 76.9 | Confident | 78.4 | Confident | 82 Ų | 82 | 83.4 Ų | 83.4 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 179.2 | -74 | -72.2 | 0 | 0 | 0 | 111.7 | D160 K315 T320 I321 V322 | D160-Y318 WeakPolarHBondContact OD1-CE2 3.4Å; D160-Y318 PolarHBondContact OD1-OH 3.01Å; K315-Y318 PolarHBondContact O-N 3Å; Y318-T320 VanDerWaalsContact C-N 3.33Å; Y318-T320 PolarHBondContact O-N 2.83Å; Y318-I321 PolarHBondContact O-N 2.94Å; Y318-V322 WeakPolarHBondContact O-CG2 3.42Å; Y318-V322 PolarHBondContact O-N 2.83Å |
| 319 | F | 79.6 | Confident | 79.1 | Confident | 32 Ų | 32 | 77.1 Ų | 77.1 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 177.9 | -71.9 | -72.2 | 0 | 0 | 0 | 112.8 | M157 L223 L226 Y306 K315 V317 V322 S323 | M157-F319 HydrophobicContact CE-CD1 3.71Å; M157-F319 HydrophobicContact CE-CE1 3.77Å; L223-F319 HydrophobicContact CD2-CD1 3.96Å; L226-F319 HydrophobicContact CB-CE1 3.85Å; L226-F319 HydrophobicContact CB-CZ 4.24Å; L226-F319 HydrophobicContact CD1-CD1 4.45Å; L226-F319 HydrophobicContact CD1-CE1 3.52Å; L226-F319 HydrophobicContact CD1-CZ 4.14Å; L226-F319 HydrophobicContact CG-CE1 4.27Å; Y306-F319 HydrophobicContact CE2-CB 4.17Å; Y306-F319 HydrophobicContact CE2-CD1 4.16Å; Y306-F319 HydrophobicContact CE2-CG 4.27Å; Y306-F319 WeakPolarHBondContact OH-CB 3.47Å; K315-F319 HydrophobicContact CB-CD2 3.8Å; K315-F319 HydrophobicContact CB-CE2 3.53Å; K315-F319 HydrophobicContact CD-CE2 4.29Å; K315-F319 WeakPolarHBondContact O-CD2 3.37Å; K315-F319 PolarHBondContact O-N 3.28Å; V317-F319 PolarHBondContact O-N 3.18Å; F319-V322 PolarHBondContact O-N 3.32Å; F319-S323 VanDerWaalsContact O-CB 3.29Å; F319-S323 WeakPolarHBondContact O-CB 3.15Å; F319-S323 PolarHBondContact O-N 2.87Å; F319-S323 PolarHBondContact O-OG 3.33Å |
| 320 | T | 83.6 | Confident | 80 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 49% | 0.485 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 175 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | E316 V317 Y318 S323 A324 | E316-T320 VanDerWaalsContact O-CB 3.32Å; E316-T320 WeakPolarHBondContact O-CB 3.48Å; E316-T320 PolarHBondContact O-N 3.23Å; E316-T320 PolarHBondContact O-OG1 2.81Å; V317-T320 PolarHBondContact O-N 3.36Å; Y318-T320 VanDerWaalsContact C-N 3.33Å; Y318-T320 PolarHBondContact O-N 2.83Å; T320-S323 PolarHBondContact O-N 3.32Å; T320-A324 WeakPolarHBondContact O-CB 3.49Å; T320-A324 PolarHBondContact O-N 2.88Å |
| 321 | I | 87.1 | Confident | 81.3 | Confident | 89 Ų | 89 | 68.8 Ų | 68.8 | 46% | 0.456 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 175.6 | -68.2 | 166.6 | 0 | 0 | 0 | 110.7 | V317 Y318 S323 A324 L325 | V317-I321 HydrophobicContact CG1-CD1 3.89Å; V317-I321 VanDerWaalsContact O-CG1 3.31Å; V317-I321 WeakPolarHBondContact O-CG1 3.23Å; V317-I321 PolarHBondContact O-N 3.3Å; Y318-I321 PolarHBondContact O-N 2.94Å; I321-S323 VanDerWaalsContact C-N 3.33Å; I321-S323 PolarHBondContact O-N 3.01Å; I321-A324 PolarHBondContact O-N 3.38Å; I321-L325 HydrophobicContact CG2-CD1 3.89Å; I321-L325 HydrophobicContact CG2-CG 4.34Å; I321-L325 WeakPolarHBondContact O-CB 3.34Å; I321-L325 WeakPolarHBondContact O-CG 3.4Å; I321-L325 PolarHBondContact O-N 3.31Å |
| 322 | V | 89 | Confident | 82.9 | Confident | 20 Ų | 20 | 69 Ų | 69 | 12% | 0.121 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 179.9 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | M157 L219 L223 Y318 F319 L325 T326 | M157-V322 HydrophobicContact CE-CB 4.17Å; M157-V322 HydrophobicContact CE-CG1 4.26Å; M157-V322 HydrophobicContact CE-CG2 3.83Å; M157-V322 HydrophobicContact SD-CG2 4.19Å; L219-V322 HydrophobicContact CB-CG1 4.28Å; L219-V322 HydrophobicContact CD2-CG1 4.2Å; L223-V322 HydrophobicContact CD1-CG1 4.23Å; L223-V322 HydrophobicContact CD2-CB 4.24Å; L223-V322 HydrophobicContact CD2-CG1 3.75Å; L223-V322 HydrophobicContact CG-CG1 3.89Å; Y318-V322 WeakPolarHBondContact O-CG2 3.42Å; Y318-V322 PolarHBondContact O-N 2.83Å; F319-V322 PolarHBondContact O-N 3.32Å; V322-L325 PolarHBondContact O-N 2.89Å; V322-T326 WeakPolarHBondContact O-CB 3.44Å; V322-T326 PolarHBondContact O-N 3.46Å; V322-T326 PolarHBondContact O-OG1 3.4Å |
| 323 | S | 89.9 | Confident | 84.7 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | F319 T320 I321 T326 V327 | F319-S323 VanDerWaalsContact O-CB 3.29Å; F319-S323 WeakPolarHBondContact O-CB 3.15Å; F319-S323 PolarHBondContact O-N 2.87Å; F319-S323 PolarHBondContact O-OG 3.33Å; T320-S323 PolarHBondContact O-N 3.32Å; I321-S323 VanDerWaalsContact C-N 3.33Å; I321-S323 PolarHBondContact O-N 3.01Å; S323-T326 WeakPolarHBondContact O-CB 3.45Å; S323-T326 PolarHBondContact O-N 3.45Å; S323-V327 WeakPolarHBondContact O-CG2 3.23Å; S323-V327 PolarHBondContact O-N 2.94Å |
| 324 | A | 91.7 | Very high | 86.4 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 47% | 0.471 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T320 I321 T326 V327 L328 | T320-A324 WeakPolarHBondContact O-CB 3.49Å; T320-A324 PolarHBondContact O-N 2.88Å; I321-A324 PolarHBondContact O-N 3.38Å; A324-T326 VanDerWaalsContact C-N 3.32Å; A324-T326 PolarHBondContact O-N 3.35Å; A324-V327 PolarHBondContact O-N 3.44Å; A324-L328 WeakPolarHBondContact O-CB 3.38Å; A324-L328 PolarHBondContact O-N 3.19Å |
| 325 | L | 93.5 | Very high | 88.3 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 45% | 0.45 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 174 | -73.4 | 174 | 0 | 0 | 0 | 112 | L219 I321 V322 S329 | L219-L325 HydrophobicContact CD1-CB 4.09Å; I321-L325 HydrophobicContact CG2-CD1 3.89Å; I321-L325 HydrophobicContact CG2-CG 4.34Å; I321-L325 WeakPolarHBondContact O-CB 3.34Å; I321-L325 WeakPolarHBondContact O-CG 3.4Å; I321-L325 PolarHBondContact O-N 3.31Å; V322-L325 PolarHBondContact O-N 2.89Å; L325-S329 VanDerWaalsContact O-CB 3.28Å; L325-S329 WeakPolarHBondContact O-CB 3.18Å; L325-S329 PolarHBondContact O-N 3.42Å; L325-S329 PolarHBondContact O-OG 3.25Å |
| 326 | T | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | S216 L219 T299 L303 V322 S323 A324 S329 L330 | S216-T326 WeakPolarHBondContact O-CG2 3.28Å; L219-T326 VanDerWaalsContact CB-OG1 3.28Å; L219-T326 WeakPolarHBondContact CB-OG1 3.42Å; T299-T326 HydrophobicContact CG2-CG2 4.08Å; L303-T326 HydrophobicContact CD1-CG2 4.3Å; L303-T326 HydrophobicContact CD2-CG2 4.26Å; V322-T326 WeakPolarHBondContact O-CB 3.44Å; V322-T326 PolarHBondContact O-N 3.46Å; V322-T326 PolarHBondContact O-OG1 3.4Å; S323-T326 WeakPolarHBondContact O-CB 3.45Å; S323-T326 PolarHBondContact O-N 3.45Å; A324-T326 VanDerWaalsContact C-N 3.32Å; A324-T326 PolarHBondContact O-N 3.35Å; T326-S329 PolarHBondContact O-OG 3.5Å; T326-S329 VanDerWaalsContact O-OG 3.1Å; T326-L330 VanDerWaalsContact O-CB 3.28Å; T326-L330 WeakPolarHBondContact O-CB 3.42Å; T326-L330 PolarHBondContact O-N 3.45Å |
| 327 | V | 95.2 | Very high | 90.8 | Very high | 71 Ų | 71 | 53 Ų | 53 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 178.4 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L303 S323 A324 S329 L330 V331 | L303-V327 HydrophobicContact CD1-CG2 3.72Å; S323-V327 WeakPolarHBondContact O-CG2 3.23Å; S323-V327 PolarHBondContact O-N 2.94Å; A324-V327 PolarHBondContact O-N 3.44Å; V327-S329 PolarHBondContact O-N 2.92Å; V327-L330 PolarHBondContact O-N 3.05Å; V327-V331 HydrophobicContact CG1-CG2 4.43Å; V327-V331 WeakPolarHBondContact O-CG2 3.11Å; V327-V331 PolarHBondContact O-N 2.98Å |
| 328 | L | 96.5 | Very high | 91.5 | Very high | 101 Ų | 101 | 52.8 Ų | 52.8 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 179.8 | -180 | 62.6 | 0 | 0 | 0 | 111.5 | A324 L330 V331 L332 | A324-L328 WeakPolarHBondContact O-CB 3.38Å; A324-L328 PolarHBondContact O-N 3.19Å; L328-L330 VanDerWaalsContact C-N 3.35Å; L328-L330 PolarHBondContact O-N 3.49Å; L328-V331 PolarHBondContact O-N 3.15Å; L328-L332 HydrophobicContact CD1-CD1 3.77Å; L328-L332 HydrophobicContact CD1-CG 4.13Å; L328-L332 HydrophobicContact CG-CD1 3.96Å; L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 WeakPolarHBondContact O-CG 3.46Å; L328-L332 PolarHBondContact O-N 2.91Å |
| 329 | S | 95.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.1 | -33.8 | 178.4 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | L212 S216 L325 T326 V327 G333 | L212-S329 WeakPolarHBondContact CB-O 3.2Å; S216-S329 VanDerWaalsContact CA-OG 3.27Å; S216-S329 WeakPolarHBondContact CA-OG 3.5Å; S216-S329 VanDerWaalsContact CB-OG 3.3Å; S216-S329 WeakPolarHBondContact CB-OG 3.38Å; S216-S329 PolarHBondContact N-OG 3.34Å; L325-S329 VanDerWaalsContact O-CB 3.28Å; L325-S329 WeakPolarHBondContact O-CB 3.18Å; L325-S329 PolarHBondContact O-N 3.42Å; L325-S329 PolarHBondContact O-OG 3.25Å; T326-S329 PolarHBondContact O-OG 3.5Å; T326-S329 VanDerWaalsContact O-OG 3.1Å; V327-S329 PolarHBondContact O-N 2.92Å; S329-G333 WeakPolarHBondContact O-CA 3.43Å; S329-G333 PolarHBondContact O-N 3.27Å |
| 330 | L | 95.6 | Very high | 92.6 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -53 | 174.7 | 178 | 63.8 | 0 | 0 | 0 | 110.7 | T296 T299 L300 T326 V327 L328 G333 I334 | T296-L330 HydrophobicContact CG2-CD1 4.49Å; T296-L330 HydrophobicContact CG2-CD2 4.37Å; T299-L330 HydrophobicContact CG2-CD2 3.98Å; L300-L330 HydrophobicContact CD2-CD2 4.43Å; T326-L330 VanDerWaalsContact O-CB 3.28Å; T326-L330 WeakPolarHBondContact O-CB 3.42Å; T326-L330 PolarHBondContact O-N 3.45Å; V327-L330 PolarHBondContact O-N 3.05Å; L328-L330 VanDerWaalsContact C-N 3.35Å; L328-L330 PolarHBondContact O-N 3.49Å; L330-G333 PolarHBondContact O-N 3.32Å; L330-I334 HydrophobicContact CD1-CG1 4.28Å; L330-I334 WeakPolarHBondContact O-CG1 3.46Å; L330-I334 PolarHBondContact O-N 2.72Å |
| 331 | V | 96.4 | Very high | 92.6 | Very high | 80 Ų | 80 | 48 Ų | 48 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.8 | -51 | -178 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | V327 L328 G333 I334 I335 | V327-V331 HydrophobicContact CG1-CG2 4.43Å; V327-V331 WeakPolarHBondContact O-CG2 3.11Å; V327-V331 PolarHBondContact O-N 2.98Å; L328-V331 PolarHBondContact O-N 3.15Å; V331-G333 VanDerWaalsContact C-N 3.32Å; V331-G333 PolarHBondContact O-N 3.18Å; V331-I334 PolarHBondContact O-N 2.98Å; V331-I335 HydrophobicContact CG1-CD1 4.07Å; V331-I335 WeakPolarHBondContact O-CG1 3.39Å; V331-I335 PolarHBondContact O-N 2.81Å |
| 332 | L | 96.3 | Very high | 92.5 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 177.8 | -66.9 | 175.9 | 0 | 0 | 0 | 111.2 | L212 L328 I334 I335 F336 | L212-L332 HydrophobicContact CD1-CB 3.71Å; L328-L332 HydrophobicContact CD1-CD1 3.77Å; L328-L332 HydrophobicContact CD1-CG 4.13Å; L328-L332 HydrophobicContact CG-CD1 3.96Å; L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 WeakPolarHBondContact O-CG 3.46Å; L328-L332 PolarHBondContact O-N 2.91Å; L332-I334 VanDerWaalsContact C-N 3.35Å; L332-I334 PolarHBondContact O-N 3.27Å; L332-I335 HydrophobicContact CD2-CD1 4.5Å; L332-I335 PolarHBondContact O-N 3.15Å; L332-F336 VanDerWaalsContact O-CD2 3.28Å; L332-F336 WeakPolarHBondContact O-CD2 3.41Å; L332-F336 PolarHBondContact O-N 3.09Å |
| 333 | G | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S329 L330 V331 L337 | S329-G333 WeakPolarHBondContact O-CA 3.43Å; S329-G333 PolarHBondContact O-N 3.27Å; L330-G333 PolarHBondContact O-N 3.32Å; V331-G333 VanDerWaalsContact C-N 3.32Å; V331-G333 PolarHBondContact O-N 3.18Å; G333-L337 VanDerWaalsContact O-CB 3.28Å; G333-L337 WeakPolarHBondContact O-CB 3.36Å; G333-L337 PolarHBondContact O-N 3.26Å |
| 334 | I | 94 | Very high | 91.5 | Very high | 44 Ų | 44 | 60 Ų | 60 | 23% | 0.226 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.9 | -39 | 174.8 | -64 | -60.5 | 0 | 0 | 0 | 111.5 | L330 V331 L332 L337 I338 | L330-I334 HydrophobicContact CD1-CG1 4.28Å; L330-I334 WeakPolarHBondContact O-CG1 3.46Å; L330-I334 PolarHBondContact O-N 2.72Å; V331-I334 PolarHBondContact O-N 2.98Å; L332-I334 VanDerWaalsContact C-N 3.35Å; L332-I334 PolarHBondContact O-N 3.27Å; I334-L337 HydrophobicContact CD1-CD2 4.03Å; I334-L337 WeakPolarHBondContact O-CB 3.5Å; I334-L337 PolarHBondContact O-N 3.14Å; I334-I338 HydrophobicContact CG2-CD1 3.86Å; I334-I338 HydrophobicContact CG2-CG1 4.42Å; I334-I338 VanDerWaalsContact O-CG1 3.3Å; I334-I338 WeakPolarHBondContact O-CG1 3.32Å; I334-I338 PolarHBondContact O-N 3.45Å |
| 335 | I | 95 | Very high | 90.6 | Very high | 88 Ų | 88 | 58.2 Ų | 58.2 | 45% | 0.451 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -51 | 174.4 | -67.5 | 165.9 | 0 | 0 | 0 | 110.2 | V331 L332 L337 I338 V339 | V331-I335 HydrophobicContact CG1-CD1 4.07Å; V331-I335 WeakPolarHBondContact O-CG1 3.39Å; V331-I335 PolarHBondContact O-N 2.81Å; L332-I335 HydrophobicContact CD2-CD1 4.5Å; L332-I335 PolarHBondContact O-N 3.15Å; I335-L337 VanDerWaalsContact C-N 3.32Å; I335-L337 PolarHBondContact O-N 3.35Å; I335-I338 PolarHBondContact O-N 3.31Å; I335-V339 HydrophobicContact CG2-CG2 4.38Å; I335-V339 VanDerWaalsContact O-CG2 3.3Å; I335-V339 WeakPolarHBondContact O-CG2 3.45Å; I335-V339 PolarHBondContact O-N 2.87Å |
| 336 | F | 93.8 | Very high | 89 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 177.8 | -82.9 | -76 | 0 | 0 | 0 | 112.4 | V205 F208 L212 L332 V339 Y340 | V205-F336 HydrophobicContact CG1-CD1 4.21Å; F208-F336 HydrophobicContact CB-CD1 3.9Å; F208-F336 HydrophobicContact CB-CD2 4.15Å; F208-F336 HydrophobicContact CB-CE1 3.89Å; F208-F336 HydrophobicContact CB-CE2 4.14Å; F208-F336 HydrophobicContact CB-CG 4.05Å; F208-F336 HydrophobicContact CB-CZ 4.01Å; F208-F336 HydrophobicContact CD2-CE1 4.46Å; F208-F336 HydrophobicContact CG-CE1 4.37Å; F208-F336 HydrophobicContact CG-CZ 4.26Å; L212-F336 HydrophobicContact CD1-CD2 3.49Å; L212-F336 VanDerWaalsContact CD1-CD2 3.49Å; L212-F336 HydrophobicContact CD1-CE2 3.8Å; L212-F336 HydrophobicContact CD1-CG 4.5Å; L332-F336 VanDerWaalsContact O-CD2 3.28Å; L332-F336 WeakPolarHBondContact O-CD2 3.41Å; L332-F336 PolarHBondContact O-N 3.09Å; F336-V339 PolarHBondContact O-N 3.23Å; F336-Y340 VanDerWaalsContact O-CB 3.25Å; F336-Y340 WeakPolarHBondContact O-CB 3.18Å; F336-Y340 PolarHBondContact O-N 3.22Å |
| 337 | L | 91.7 | Very high | 87 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.5 | -52.5 | 172.1 | 172 | 72.1 | 0 | 0 | 0 | 110.7 | Y209 I288 Y292 G333 I334 I335 V339 Y340 Y341 | Y209-L337 HydrophobicContact CD2-CB 3.71Å; Y209-L337 HydrophobicContact CD2-CD1 3.91Å; Y209-L337 HydrophobicContact CD2-CG 4.41Å; Y209-L337 HydrophobicContact CE1-CD1 4.38Å; Y209-L337 HydrophobicContact CE2-CB 3.9Å; Y209-L337 HydrophobicContact CE2-CD1 3.26Å; Y209-L337 HydrophobicContact CE2-CG 4.1Å; Y209-L337 VanDerWaalsContact CZ-CD1 3.5Å; I288-L337 HydrophobicContact CG2-CD1 4.46Å; Y292-L337 HydrophobicContact CD1-CD2 4.13Å; Y292-L337 HydrophobicContact CD2-CD1 4.01Å; Y292-L337 HydrophobicContact CD2-CD2 3.85Å; Y292-L337 HydrophobicContact CE2-CD1 3.98Å; Y292-L337 HydrophobicContact CG-CD2 3.66Å; G333-L337 VanDerWaalsContact O-CB 3.28Å; G333-L337 WeakPolarHBondContact O-CB 3.36Å; G333-L337 PolarHBondContact O-N 3.26Å; I334-L337 HydrophobicContact CD1-CD2 4.03Å; I334-L337 WeakPolarHBondContact O-CB 3.5Å; I334-L337 PolarHBondContact O-N 3.14Å; I335-L337 VanDerWaalsContact C-N 3.32Å; I335-L337 PolarHBondContact O-N 3.35Å; L337-V339 PolarHBondContact O-N 2.83Å; L337-Y340 PolarHBondContact O-N 3.01Å; L337-Y341 HydrophobicContact CD1-CD2 3.39Å; L337-Y341 HydrophobicContact CD1-CE2 3.3Å; L337-Y341 HydrophobicContact CG-CD2 4.17Å; L337-Y341 HydrophobicContact CG-CE2 4.5Å; L337-Y341 WeakPolarHBondContact O-CD2 3.48Å; L337-Y341 PolarHBondContact O-N 3.42Å |
| 338 | I | 90.7 | Very high | 84.6 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | -179.4 | -67.7 | 165.8 | 0 | 0 | 0 | 110.5 | I334 I335 Y340 Y341 R342 | I334-I338 HydrophobicContact CG2-CD1 3.86Å; I334-I338 HydrophobicContact CG2-CG1 4.42Å; I334-I338 VanDerWaalsContact O-CG1 3.3Å; I334-I338 WeakPolarHBondContact O-CG1 3.32Å; I334-I338 PolarHBondContact O-N 3.45Å; I335-I338 PolarHBondContact O-N 3.31Å; I338-Y340 VanDerWaalsContact C-N 3.34Å; I338-Y340 PolarHBondContact O-N 3.34Å; I338-Y341 PolarHBondContact O-N 3.45Å; I338-R342 WeakPolarHBondContact O-CB 3.35Å; I338-R342 PolarHBondContact O-N 2.88Å |
| 339 | V | 91.3 | Very high | 82.3 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 30% | 0.303 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | V205 I335 F336 L337 H343 F344 | V205-V339 HydrophobicContact CG1-CG1 4.19Å; I335-V339 HydrophobicContact CG2-CG2 4.38Å; I335-V339 VanDerWaalsContact O-CG2 3.3Å; I335-V339 WeakPolarHBondContact O-CG2 3.45Å; I335-V339 PolarHBondContact O-N 2.87Å; F336-V339 PolarHBondContact O-N 3.23Å; L337-V339 PolarHBondContact O-N 2.83Å; V339-H343 WeakPolarHBondContact O-CB 3.35Å; V339-H343 PolarHBondContact O-N 3.36Å; V339-H343 PolarHBondContact O-ND1 3.19Å; V339-F344 HydrophobicContact CG1-CD2 4.38Å; V339-F344 HydrophobicContact CG1-CE2 3.98Å |
| 340 | Y | 88.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -58.8 | -52.4 | 176.8 | -177.8 | -102.6 | 0 | 0 | 0 | 111.8 | V205 Y206 F336 L337 I338 R342 F344 H345 | V205-Y340 HydrophobicContact CG1-CD2 4.28Å; Y206-Y340 HydrophobicContact CD2-CD1 4.14Å; Y206-Y340 HydrophobicContact CD2-CD2 4.11Å; Y206-Y340 AromaticContact CD2-CE1 3.65Å; Y206-Y340 HydrophobicContact CD2-CE1 3.65Å; Y206-Y340 AromaticContact CD2-CE2 3.64Å; Y206-Y340 HydrophobicContact CD2-CE2 3.64Å; Y206-Y340 HydrophobicContact CD2-CG 4.35Å; Y206-Y340 AromaticContact CD2-CZ 3.37Å; Y206-Y340 HydrophobicContact CE2-CE1 4.07Å; Y206-Y340 HydrophobicContact CG-CE2 4.03Å; F336-Y340 VanDerWaalsContact O-CB 3.25Å; F336-Y340 WeakPolarHBondContact O-CB 3.18Å; F336-Y340 PolarHBondContact O-N 3.22Å; L337-Y340 PolarHBondContact O-N 3.01Å; I338-Y340 VanDerWaalsContact C-N 3.34Å; I338-Y340 PolarHBondContact O-N 3.34Å; Y340-R342 VanDerWaalsContact C-N 3.35Å; Y340-R342 PolarHBondContact O-N 3.46Å; Y340-F344 HydrophobicContact CD2-CB 3.93Å; Y340-F344 HydrophobicContact CE2-CB 4.19Å; Y340-F344 CarbonylContact O-C 3.41Å; Y340-F344 WeakPolarHBondContact O-CA 3.16Å; Y340-F344 WeakPolarHBondContact O-CB 3.48Å; Y340-F344 PolarHBondContact O-N 3.44Å; Y340-H345 HydrophobicContact CD1-CB 4.41Å; Y340-H345 HydrophobicContact CE1-CB 4.18Å; Y340-H345 AromaticContact CE1-CD2 3.99Å; Y340-H345 PolarHBondContact O-N 3.03Å |
| 341 | Y | 84.2 | Confident | 76.5 | Confident | 42 Ų | 42 | 72.4 Ų | 72.4 | 17% | 0.165 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -72.8 | -25.2 | -175.4 | -82.2 | -82.2 | 0 | 0 | 0 | 114.4 | Y209 I288 L337 I338 H345 | Y209-Y341 HydrophobicContact CE1-CE2 4.42Å; I288-Y341 HydrophobicContact CD1-CD1 4.41Å; I288-Y341 HydrophobicContact CD1-CE1 3.4Å; I288-Y341 VanDerWaalsContact CD1-OH 3.26Å; I288-Y341 WeakPolarHBondContact CD1-OH 3.37Å; I288-Y341 HydrophobicContact CG2-CE1 4.47Å; I288-Y341 HydrophobicContact CG2-CE2 4.1Å; L337-Y341 HydrophobicContact CD1-CD2 3.39Å; L337-Y341 HydrophobicContact CD1-CE2 3.3Å; L337-Y341 HydrophobicContact CG-CD2 4.17Å; L337-Y341 HydrophobicContact CG-CE2 4.5Å; L337-Y341 WeakPolarHBondContact O-CD2 3.48Å; L337-Y341 PolarHBondContact O-N 3.42Å; I338-Y341 PolarHBondContact O-N 3.45Å; Y341-H345 HydrophobicContact CD1-CB 3.71Å; Y341-H345 AromaticContact CD1-CD2 3.57Å; Y341-H345 AromaticContact CD1-CG 3.53Å; Y341-H345 HydrophobicContact CE1-CB 4.22Å; Y341-H345 AromaticContact CE1-CD2 3.15Å; Y341-H345 WeakPolarHBondContact CE1-CD2 3.47Å; Y341-H345 AromaticContact CE1-CG 3.66Å; Y341-H345 AromaticContact CE1-NE2 3.62Å; Y341-H345 HydrophobicContact CG-CB 4.27Å; Y341-H345 AromaticContact CZ-CD2 4Å |
| 342 | R | 84.5 | Confident | 73.5 | Confident | 200 Ų | 200 | 74.9 Ų | 74.9 | 76% | 0.755 | 37% | 0.369 | S | S | * | . | I | π-helix | trans | -82.2 | -41.5 | 177.7 | -174.5 | 173.1 | 177.2 | 164.6 | 0.2 | 112.8 | I338 Y340 | I338-R342 WeakPolarHBondContact O-CB 3.35Å; I338-R342 PolarHBondContact O-N 2.88Å; Y340-R342 VanDerWaalsContact C-N 3.35Å; Y340-R342 PolarHBondContact O-N 3.46Å |
| 343 | H | 82.4 | Confident | 70.5 | Confident | 125 Ų | 125 | 79.2 Ų | 79.2 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | I | π-helix | trans | -109 | -28.6 | -170.4 | -56.6 | 93.2 | 0 | 0 | 0 | 114 | V339 | V339-H343 WeakPolarHBondContact O-CB 3.35Å; V339-H343 PolarHBondContact O-N 3.36Å; V339-H343 PolarHBondContact O-ND1 3.19Å |
| 344 | F | 76.4 | Confident | 67.4 | Low | 54 Ų | 54 | 84 Ų | 84 | 24% | 0.237 | 43% | 0.427 | C | S | . | . | I | π-helix | trans | -120.8 | -18.4 | -167.2 | -59.6 | -63.9 | 0 | 0 | 0 | 114.6 | L201 P202 V205 V339 Y340 P346 | L201-F344 HydrophobicContact CD2-CE1 4Å; L201-F344 HydrophobicContact CD2-CZ 3.71Å; L201-F344 HydrophobicContact CG-CE1 4.27Å; L201-F344 HydrophobicContact CG-CZ 3.96Å; P202-F344 HydrophobicContact CB-CB 4.24Å; P202-F344 HydrophobicContact CB-CD1 4.16Å; P202-F344 HydrophobicContact CB-CG 4.33Å; P202-F344 HydrophobicContact CG-CD1 3.64Å; P202-F344 HydrophobicContact CG-CE1 4.16Å; P202-F344 HydrophobicContact CG-CG 4.3Å; V205-F344 HydrophobicContact CB-CD2 4.27Å; V205-F344 HydrophobicContact CB-CE2 4.32Å; V205-F344 HydrophobicContact CG1-CD2 3.98Å; V205-F344 HydrophobicContact CG1-CE2 4.2Å; V205-F344 HydrophobicContact CG2-CD2 4.27Å; V205-F344 HydrophobicContact CG2-CE2 3.82Å; V205-F344 HydrophobicContact CG2-CZ 4.46Å; V339-F344 HydrophobicContact CG1-CD2 4.38Å; V339-F344 HydrophobicContact CG1-CE2 3.98Å; Y340-F344 HydrophobicContact CD2-CB 3.93Å; Y340-F344 HydrophobicContact CE2-CB 4.19Å; Y340-F344 CarbonylContact O-C 3.41Å; Y340-F344 WeakPolarHBondContact O-CA 3.16Å; Y340-F344 WeakPolarHBondContact O-CB 3.48Å; Y340-F344 PolarHBondContact O-N 3.44Å; F344-P346 VanDerWaalsContact O-CD 3.25Å; F344-P346 WeakPolarHBondContact O-CD 3.24Å |
| 345 | H | 71.8 | Confident | 64.4 | Low | 20 Ų | 20 | 87.2 Ų | 87.2 | 9% | 0.093 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -75.1 | 114.9 | 178.2 | -175.7 | -81.7 | 0 | 0 | 0 | 109.9 | Y340 Y341 T347 | Y340-H345 HydrophobicContact CD1-CB 4.41Å; Y340-H345 HydrophobicContact CE1-CB 4.18Å; Y340-H345 AromaticContact CE1-CD2 3.99Å; Y340-H345 PolarHBondContact O-N 3.03Å; Y341-H345 HydrophobicContact CD1-CB 3.71Å; Y341-H345 AromaticContact CD1-CD2 3.57Å; Y341-H345 AromaticContact CD1-CG 3.53Å; Y341-H345 HydrophobicContact CE1-CB 4.22Å; Y341-H345 AromaticContact CE1-CD2 3.15Å; Y341-H345 WeakPolarHBondContact CE1-CD2 3.47Å; Y341-H345 AromaticContact CE1-CG 3.66Å; Y341-H345 AromaticContact CE1-NE2 3.62Å; Y341-H345 HydrophobicContact CG-CB 4.27Å; Y341-H345 AromaticContact CZ-CD2 4Å; H345-T347 PolarHBondContact O-N 2.97Å |
| 346 | P | 60.8 | Low | 61.4 | Low | 34 Ų | 34 | 87.6 Ų | 87.6 | 22% | 0.221 | 46% | 0.462 | C | S | . | . | trans | -63.2 | 117.3 | 178.5 | 26 | -32.3 | 0 | 0 | 0 | 108.8 | F344 A348 | F344-P346 VanDerWaalsContact O-CD 3.25Å; F344-P346 WeakPolarHBondContact O-CD 3.24Å; P346-A348 PolarHBondContact O-N 3.26Å | ||
| 347 | T | 52.1 | Low | 58.6 | Low | 106 Ų | 106 | 91.5 Ų | 91.5 | 65% | 0.65 | 49% | 0.486 | S | S | * | . | trans | -76.3 | -3 | -179 | -56 | 0 | 0 | 0 | 0 | 111.9 | H345 Y349 | H345-T347 PolarHBondContact O-N 2.97Å; T347-Y349 PolarHBondContact O-N 3.49Å | ||
| 348 | A | 44 | Very low | 55.9 | Low | 58 Ų | 58 | 99.8 Ų | 99.8 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | trans | -98.2 | 85.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P346 R351 | P346-A348 PolarHBondContact O-N 3.26Å; A348-R351 HydrophobicContact CB-CB 4.44Å | ||
| 349 | Y | 47.3 | Very low | 53.2 | Low | 50 Ų | 50 | 101.8 Ų | 101.8 | 20% | 0.196 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -91.8 | -11.3 | 155.8 | -91.5 | -91.9 | 0 | 0 | 0 | 111.6 | K195 G281 T347 I378 | K195-Y349 VanDerWaalsContact NZ-CE2 3.31Å; K195-Y349 PolarHBondContact NZ-OH 2.98Å; G281-Y349 VanDerWaalsContact O-CB 3.28Å; G281-Y349 WeakPolarHBondContact O-CB 3.25Å; G281-Y349 WeakPolarHBondContact O-CD1 3.28Å; T347-Y349 PolarHBondContact O-N 3.49Å; Y349-I378 HydrophobicContact CD1-CG2 4.21Å; Y349-I378 HydrophobicContact CE1-CG2 4.2Å |
| 350 | C | 39 | Very low | 50.8 | Low | 111 Ų | 111 | 107.4 Ų | 107.4 | 75% | 0.75 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -151.6 | 38.7 | -172.4 | -56.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 351 | R | 31.4 | Very low | 48.1 | Very low | 220 Ų | 220 | 110.7 Ų | 110.7 | 83% | 0.83 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -93 | -9.4 | 178.8 | -147.6 | 174.3 | -157 | 171.6 | 6.5 | 115.3 | A348 | A348-R351 HydrophobicContact CB-CB 4.44Š|
| 352 | Q | 33 | Very low | 45.5 | Very low | 133 Ų | 133 | 115.4 Ų | 115.4 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -132.4 | 28.8 | -164.5 | -137.5 | 150.8 | -18.2 | 0 | 0 | 116.6 | ||
| 353 | Q | 33.5 | Very low | 43.4 | Very low | 155 Ų | 155 | 111 Ų | 111 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -110.8 | 10.5 | 163.6 | -156.7 | 146.7 | 6.1 | 0 | 0 | 113.5 | ||
| 354 | A | 31.1 | Very low | 40.8 | Very low | 102 Ų | 102 | 107.9 Ų | 107.9 | 84% | 0.843 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -99.6 | 6.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 355 | C | 30.3 | Very low | 38.8 | Very low | 110 Ų | 110 | 115.4 Ų | 115.4 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -133 | 14.2 | -172 | -141.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 356 | S | 31.9 | Very low | 36.8 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -131.2 | 10.9 | 178.9 | -72.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 357 | D | 34.9 | Very low | 35.5 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -115.9 | 83.8 | 173.3 | -74.3 | -18.4 | 0 | 0 | 0 | 110.1 | ||||
| 358 | E | 35.1 | Very low | 34.7 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -164.7 | 74.6 | 144.9 | -109.6 | 178.8 | -160.3 | 0 | 0 | 107.7 | ||||
| 359 | V | 34.2 | Very low | 34.7 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -129.1 | 97.8 | 155.6 | -175.1 | 0 | 0 | 0 | 0 | 106.5 | G361 | V359-G361 PolarHBondContact O-N 3.39Š| ||
| 360 | D | 41.3 | Very low | 34.9 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -56.5 | 117.9 | 166 | -77.8 | -37.4 | 0 | 0 | 0 | 109.3 | ||||
| 361 | G | 29.9 | Very low | 35.7 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -170.6 | 85.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | V359 | V359-G361 PolarHBondContact O-N 3.39Š| ||
| 362 | V | 31.3 | Very low | 37 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | 16.9 | 123.2 | 156.2 | -170.3 | 0 | 0 | 0 | 0 | 118.3 | G364 | V362-G364 PolarHBondContact O-N 3.48Š| ||
| 363 | A | 40 | Very low | 39.1 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 88% | 0.876 | 71% | 0.713 | S | S | * | * | trans | -38.7 | 119.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 364 | G | 28.1 | Very low | 40.7 | Very low | 61 Ų | 61 | 118.1 Ų | 118.1 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | trans | -147 | 118 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108 | V362 K366 | V362-G364 PolarHBondContact O-N 3.48Å; G364-K366 PolarHBondContact O-N 2.94Å | ||
| 365 | E | 34.4 | Very low | 42.2 | Very low | 212 Ų | 212 | 114.7 Ų | 114.7 | 99% | 0.991 | 65% | 0.645 | S | S | * | * | trans | -62.2 | 82.2 | 176 | -165 | 167.4 | -164.6 | 0 | 0 | 109.5 | ||||
| 366 | K | 29.4 | Very low | 43.7 | Very low | 196 Ų | 196 | 114.6 Ų | 114.6 | 85% | 0.852 | 63% | 0.633 | S | S | * | * | trans | -106.7 | 127.5 | 172 | -91.9 | -177.3 | 174.6 | 178.9 | 0 | 109.2 | G364 R368 | G364-K366 PolarHBondContact O-N 2.94Å; K366-R368 PolarHBondContact O-N 2.96Å; K366-R368 VanDerWaalsContact O-N 3.15Å | ||
| 367 | D | 33.5 | Very low | 45.1 | Very low | 159 Ų | 159 | 110.3 Ų | 110.3 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | trans | -26 | 105.8 | -177.4 | -77.6 | -50.4 | 0 | 0 | 0 | 114.9 | V369 | D367-V369 VanDerWaalsContact C-N 3.32Å; D367-V369 PolarHBondContact O-N 2.7Å | ||
| 368 | R | 35.2 | Very low | 46.2 | Very low | 239 Ų | 239 | 104.7 Ų | 104.7 | 90% | 0.902 | 57% | 0.572 | S | S | * | * | trans | -66 | 96.4 | 162.8 | -73.9 | -177.7 | 177 | 179.8 | -0.3 | 107.5 | K366 K370 | K366-R368 PolarHBondContact O-N 2.96Å; K366-R368 VanDerWaalsContact O-N 3.15Å; R368-K370 PolarHBondContact O-N 2.85Å | ||
| 369 | V | 44.2 | Very low | 46.8 | Very low | 109 Ų | 109 | 101.2 Ų | 101.2 | 66% | 0.661 | 56% | 0.558 | S | S | * | * | trans | -49 | 106.8 | 166.2 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | K124 D367 A371 | K124-V369 HydrophobicContact CD-CG1 4.14Å; D367-V369 VanDerWaalsContact C-N 3.32Å; D367-V369 PolarHBondContact O-N 2.7Å; V369-A371 PolarHBondContact O-N 2.73Å; V369-A371 VanDerWaalsContact O-N 3.16Å | ||
| 370 | K | 51.1 | Low | 47.5 | Very low | 130 Ų | 130 | 98.2 Ų | 98.2 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 125.8 | -174.4 | -73.1 | -179.8 | -166.3 | 160.6 | 0 | 109.9 | E69 K124 R368 G372 | E69-K370 WeakPolarHBondContact OE1-CE 3.3Å; E69-K370 IonicContact OE1-NZ 2.76Å; E69-K370 PolarHBondContact OE1-NZ 3.09Å; E69-K370 IonicContact OE2-NZ 2.74Å; E69-K370 PolarHBondContact OE2-NZ 3.09Å; K124-K370 PolarHBondContact NZ-O 2.76Å; R368-K370 PolarHBondContact O-N 2.85Å; K370-G372 PolarHBondContact O-N 3.17Å |
| 371 | A | 55.9 | Low | 47.8 | Very low | 57 Ų | 57 | 94.7 Ų | 94.7 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 136 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V369 Q375 | V369-A371 PolarHBondContact O-N 2.73Å; V369-A371 VanDerWaalsContact O-N 3.16Å; A371-Q375 HydrophobicContact CB-CB 4.38Å; A371-Q375 HydrophobicContact CB-CG 4.31Å |
| 372 | G | 58.7 | Low | 48.7 | Very low | 5 Ų | 5 | 96 Ų | 96 | 5% | 0.052 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 155.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K370 F374 Q375 H376 | K370-G372 PolarHBondContact O-N 3.17Å; G372-F374 VanDerWaalsContact C-N 3.26Å; G372-F374 PolarHBondContact O-N 3.04Å; G372-Q375 WeakPolarHBondContact O-CA 3.06Å; G372-Q375 VanDerWaalsContact O-CB 3.31Å; G372-Q375 WeakPolarHBondContact O-CB 3.49Å; G372-Q375 PolarHBondContact O-N 3.48Å; G372-H376 PolarHBondContact O-N 3.43Å |
| 373 | R | 76.8 | Confident | 49.7 | Very low | 47 Ų | 47 | 93.4 Ų | 93.4 | 18% | 0.177 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -53.1 | -44 | -177.2 | -171.4 | -179 | -57 | 134.7 | 5.9 | 112.4 | W63 D67 D132 F254 Q375 H376 F377 | W63-R373 VanDerWaalsContact CE3-NH1 3.3Å; W63-R373 VanDerWaalsContact CG-CZ 3.44Å; D67-R373 IonicContact OD1-CZ 3.03Å; D67-R373 IonicContact OD1-NH2 2.69Å; D67-R373 PolarHBondContact OD1-NH2 2.83Å; D67-R373 IonicContact OD2-NH2 3.1Å; D67-R373 PolarHBondContact OD2-NH2 2.95Å; D132-R373 IonicContact OD1-CZ 2.78Å; D132-R373 IonicContact OD1-NH1 2.6Å; D132-R373 PolarHBondContact OD1-NH1 3.2Å; D132-R373 IonicContact OD2-CZ 3.9Å; D132-R373 IonicContact OD2-NH1 3.95Å; D132-R373 PolarHBondContact OD2-NH1 3.31Å; D132-R373 IonicContact OD2-NH2 2.59Å; D132-R373 PolarHBondContact OD2-NH2 3.32Å; F254-R373 HydrophobicContact CE2-CG 4.13Å; F254-R373 HydrophobicContact CZ-CG 4.39Å; R373-Q375 VanDerWaalsContact C-N 3.33Å; R373-Q375 PolarHBondContact O-N 3.03Å; R373-H376 PolarHBondContact O-N 3.4Å; R373-F377 WeakPolarHBondContact O-CB 3Å; R373-F377 PolarHBondContact O-N 3.5Å |
| 374 | F | 67.3 | Low | 50.2 | Low | 2 Ų | 2 | 92.7 Ų | 92.7 | 1% | 0.009 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -69.8 | -28.3 | 178.6 | -68.1 | -75.7 | 0 | 0 | 0 | 113.5 | A131 D132 M135 Y184 L188 S191 F254 G372 F377 I378 | A131-F374 HydrophobicContact CB-CD2 3.76Å; A131-F374 HydrophobicContact CB-CE2 3.48Å; A131-F374 VanDerWaalsContact CB-CE2 3.48Å; A131-F374 HydrophobicContact CB-CZ 4.31Å; D132-F374 WeakPolarHBondContact OD1-CE2 3.29Å; M135-F374 HydrophobicContact CB-CZ 3.96Å; M135-F374 HydrophobicContact CG-CE1 4.45Å; M135-F374 HydrophobicContact CG-CZ 4.23Å; M135-F374 HydrophobicContact SD-CE1 4.28Å; Y184-F374 HydrophobicContact CE2-CE1 4.21Å; L188-F374 HydrophobicContact CD1-CB 3.78Å; L188-F374 HydrophobicContact CD1-CD1 3.33Å; L188-F374 HydrophobicContact CD1-CE1 4.09Å; L188-F374 HydrophobicContact CD1-CG 3.7Å; S191-F374 WeakPolarHBondContact OG-CB 3.48Å; F254-F374 HydrophobicContact CE2-CD1 4.25Å; F254-F374 AromaticContact CE2-CE1 3.89Å; F254-F374 HydrophobicContact CE2-CE1 3.89Å; F254-F374 HydrophobicContact CE2-CZ 4.37Å; F254-F374 HydrophobicContact CZ-CE1 4.34Å; F254-F374 HydrophobicContact CZ-CZ 4.44Å; G372-F374 VanDerWaalsContact C-N 3.26Å; G372-F374 PolarHBondContact O-N 3.04Å; F374-F377 PolarHBondContact O-N 2.72Å; F374-I378 WeakPolarHBondContact O-CB 3.43Å; F374-I378 WeakPolarHBondContact O-CG1 3.43Å; F374-I378 PolarHBondContact O-N 3.42Å |
| 375 | Q | 62.1 | Low | 51.6 | Low | 30 Ų | 30 | 94.7 Ų | 94.7 | 14% | 0.14 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.8 | -46.5 | 174.4 | -172 | 179.7 | -6 | 0 | 0 | 110.5 | L192 A371 G372 R373 F377 I378 M379 | L192-Q375 HydrophobicContact CD2-CB 4.3Å; A371-Q375 HydrophobicContact CB-CB 4.38Å; A371-Q375 HydrophobicContact CB-CG 4.31Å; G372-Q375 WeakPolarHBondContact O-CA 3.06Å; G372-Q375 VanDerWaalsContact O-CB 3.31Å; G372-Q375 WeakPolarHBondContact O-CB 3.49Å; G372-Q375 PolarHBondContact O-N 3.48Å; R373-Q375 VanDerWaalsContact C-N 3.33Å; R373-Q375 PolarHBondContact O-N 3.03Å; Q375-F377 VanDerWaalsContact C-N 3.3Å; Q375-F377 PolarHBondContact O-N 3.35Å; Q375-I378 PolarHBondContact O-N 2.88Å; Q375-M379 HydrophobicContact CG-CE 3.7Å; Q375-M379 HydrophobicContact CG-SD 3.68Å; Q375-M379 WeakPolarHBondContact O-CB 3.43Å; Q375-M379 VanDerWaalsContact O-CG 3.25Å; Q375-M379 WeakPolarHBondContact O-CG 3.49Å; Q375-M379 PolarHBondContact O-N 3.14Å; Q375-M379 VanDerWaalsContact O-N 3.15Å |
| 376 | H | 62.7 | Low | 52.8 | Low | 107 Ų | 107 | 86.9 Ų | 86.9 | 50% | 0.495 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 173.7 | -175.2 | -95.6 | 0 | 0 | 0 | 112.1 | G372 R373 Q380 | G372-H376 PolarHBondContact O-N 3.43Å; R373-H376 PolarHBondContact O-N 3.4Å; H376-Q380 PolarHBondContact CE1-NE2 2.92Å; H376-Q380 PolarHBondContact NE2-NE2 3.19Å |
| 377 | F | 60.3 | Low | 54.4 | Low | 7 Ų | 7 | 79.1 Ų | 79.1 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.8 | -36.5 | 178.9 | -179.3 | -113.4 | 0 | 0 | 0 | 113.8 | T252 F254 Y264 I279 R373 F374 Q375 | T252-F377 HydrophobicContact CG2-CE2 4.43Å; F254-F377 HydrophobicContact CB-CD2 3.67Å; F254-F377 HydrophobicContact CB-CE2 3.64Å; F254-F377 HydrophobicContact CD2-CB 4.14Å; F254-F377 HydrophobicContact CD2-CD1 4.23Å; F254-F377 AromaticContact CD2-CD2 3.59Å; F254-F377 HydrophobicContact CD2-CD2 3.59Å; F254-F377 AromaticContact CD2-CE2 3.97Å; F254-F377 HydrophobicContact CD2-CE2 3.97Å; F254-F377 AromaticContact CD2-CG 3.73Å; F254-F377 HydrophobicContact CD2-CG 3.73Å; F254-F377 HydrophobicContact CD2-CZ 4.42Å; F254-F377 HydrophobicContact CG-CD2 4.1Å; F254-F377 HydrophobicContact CG-CE2 4.21Å; Y264-F377 HydrophobicContact CE1-CE2 4.03Å; Y264-F377 HydrophobicContact CE1-CZ 4.06Å; Y264-F377 AromaticContact CZ-CZ 3.82Å; Y264-F377 WeakPolarHBondContact OH-CZ 3.45Å; I279-F377 HydrophobicContact CG2-CZ 3.88Å; I279-F377 WeakPolarHBondContact O-CE1 3.45Å; I279-F377 WeakPolarHBondContact O-CZ 3.27Å; R373-F377 WeakPolarHBondContact O-CB 3Å; R373-F377 PolarHBondContact O-N 3.5Å; F374-F377 PolarHBondContact O-N 2.72Å; Q375-F377 VanDerWaalsContact C-N 3.3Å; Q375-F377 PolarHBondContact O-N 3.35Å |
| 378 | I | 57.9 | Low | 56 | Low | 22 Ų | 22 | 72.9 Ų | 72.9 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -86.4 | -27.8 | -175.7 | -77.4 | 174.7 | 0 | 0 | 0 | 113.2 | L188 L192 Y349 F374 Q375 Q380 | L188-I378 HydrophobicContact CD1-CD1 3.87Å; L188-I378 HydrophobicContact CD2-CD1 4.27Å; L188-I378 HydrophobicContact CG-CD1 4.2Å; L192-I378 HydrophobicContact CD1-CD1 3.7Å; L192-I378 HydrophobicContact CD2-CB 4.44Å; L192-I378 HydrophobicContact CD2-CD1 4.11Å; L192-I378 HydrophobicContact CG-CD1 4.38Å; Y349-I378 HydrophobicContact CD1-CG2 4.21Å; Y349-I378 HydrophobicContact CE1-CG2 4.2Å; F374-I378 WeakPolarHBondContact O-CB 3.43Å; F374-I378 WeakPolarHBondContact O-CG1 3.43Å; F374-I378 PolarHBondContact O-N 3.42Å; Q375-I378 PolarHBondContact O-N 2.88Å; I378-Q380 PolarHBondContact O-N 2.98Å |
| 379 | M | 49.4 | Very low | 57.8 | Low | 119 Ų | 119 | 59.1 Ų | 59.1 | 59% | 0.586 | 30% | 0.304 | S | S | * | . | trans | -78 | 0.5 | -175.5 | -73.2 | 178.7 | 165.3 | 0 | 0 | 114.8 | Q375 | Q375-M379 HydrophobicContact CG-CE 3.7Å; Q375-M379 HydrophobicContact CG-SD 3.68Å; Q375-M379 WeakPolarHBondContact O-CB 3.43Å; Q375-M379 VanDerWaalsContact O-CG 3.25Å; Q375-M379 WeakPolarHBondContact O-CG 3.49Å; Q375-M379 PolarHBondContact O-N 3.14Å; Q375-M379 VanDerWaalsContact O-N 3.15Å | ||
| 380 | Q | 47.2 | Very low | 59 | Low | 74 Ų | 74 | 54.5 Ų | 54.5 | 35% | 0.346 | 27% | 0.271 | S | S | . | . | trans | -103.5 | 0 | -179.8 | -65.5 | -175.6 | 6.3 | 0 | 0 | 113.9 | T253 K280 R282 H376 I378 | T253-Q380 PolarHBondContact OG1-NE2 3.44Å; T253-Q380 PolarHBondContact OG1-OE1 2.99Å; K280-Q380 WeakPolarHBondContact CE-OXT 3.32Å; K280-Q380 WeakPolarHBondContact CG-OXT 3.15Å; R282-Q380 PolarHBondContact NH1-O 3.15Å; R282-Q380 VanDerWaalsContact NH2-C 3.26Å; R282-Q380 PolarHBondContact NH2-O 3.24Å; R282-Q380 PolarHBondContact NH2-OXT 2.79Å; R282-Q380 VanDerWaalsContact NH2-OXT 3.08Å; H376-Q380 PolarHBondContact CE1-NE2 2.92Å; H376-Q380 PolarHBondContact NE2-NE2 3.19Å; I378-Q380 PolarHBondContact O-N 2.98Å |
Retrieved 380 of 380 residues in 89 ms
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