| 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 | 40.8 | Very low | 73.7 | Confident | 212 Ų | 212 | 83 Ų | 83 | 100% | 1.044 | 39% | 0.389 | S | S | * | . | 0 | -29.9 | 0 | -129.4 | -177.2 | -63.5 | 0 | 0 | 110.6 | E3 E4 | M1-E3 VanDerWaalsContact C-N 3.25Å; M1-E3 PolarHBondContact O-N 3.24Å; M1-E3 VanDerWaalsContact O-N 3.16Å; M1-E4 PolarHBondContact O-N 3.49Å | |||
| 2 | E | 42 | Very low | 75.3 | Confident | 179 Ų | 179 | 82.9 Ų | 82.9 | 84% | 0.836 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.4 | -178.7 | -65.1 | 172.4 | 165.3 | 0 | 0 | 116.7 | ||
| 3 | E | 45.8 | Very low | 76.9 | Confident | 192 Ų | 192 | 76.6 Ų | 76.6 | 90% | 0.897 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -8.2 | -177.9 | -70 | -177.7 | 165.1 | 0 | 0 | 114.3 | M1 | M1-E3 VanDerWaalsContact C-N 3.25Å; M1-E3 PolarHBondContact O-N 3.24Å; M1-E3 VanDerWaalsContact O-N 3.16Å |
| 4 | E | 55.6 | Low | 78.2 | Confident | 134 Ų | 134 | 71.1 Ų | 71.1 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | trans | -121.7 | 29.4 | -171.9 | -67.7 | -174.9 | 167.3 | 0 | 0 | 113.9 | M1 D6 | M1-E4 PolarHBondContact O-N 3.49Å; E4-D6 PolarHBondContact O-N 2.84Å | ||
| 5 | D | 77.8 | Confident | 79.2 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | trans | -76.1 | 108.4 | 179.2 | -87.3 | 5.7 | 0 | 0 | 0 | 111.2 | W7 R8 Q9 | D5-W7 HydrophobicContact CB-CG 4.5Å; D5-W7 HydrophobicContact CB-CZ2 4.46Å; D5-W7 PolarHBondContact O-N 2.96Å; D5-W7 VanDerWaalsContact O-N 3.11Å; D5-W7 PolarHBondContact OD2-NE1 2.91Å; D5-R8 HydrophobicContact CB-CB 4.22Å; D5-R8 WeakPolarHBondContact O-CB 3.48Å; D5-R8 PolarHBondContact O-N 3.09Å; D5-Q9 PolarHBondContact O-N 2.88Å | ||
| 6 | D | 87.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.032 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -53.4 | -34.4 | -178.5 | -64.7 | -41 | 0 | 0 | 0 | 113.5 | E4 R8 Q9 C10 I115 L142 Q143 S144 | E4-D6 PolarHBondContact O-N 2.84Å; D6-R8 VanDerWaalsContact C-N 3.27Å; D6-R8 PolarHBondContact O-N 3.31Å; D6-Q9 PolarHBondContact O-N 2.81Å; D6-C10 WeakPolarHBondContact O-CB 3.25Å; D6-C10 PolarHBondContact O-N 2.86Å; D6-I115 HydrophobicContact CB-CG2 4.03Å; D6-L142 HydrophobicContact CB-CD1 3.79Å; D6-L142 WeakPolarHBondContact OD1-CD1 3.41Å; D6-Q143 PolarHBondContact OD1-N 3.02Å; D6-Q143 WeakPolarHBondContact OD2-CA 3.22Å; D6-Q143 PolarHBondContact OD2-N 3.05Å; D6-S144 PolarHBondContact OD2-N 3Å |
| 7 | W | 90 | Very high | 80.9 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -32.5 | 177.4 | 69.5 | -95.7 | 0 | 0 | 0 | 111.8 | D5 C10 A11 A26 G31 A33 L36 I115 Y149 | D5-W7 HydrophobicContact CB-CG 4.5Å; D5-W7 HydrophobicContact CB-CZ2 4.46Å; D5-W7 PolarHBondContact O-N 2.96Å; D5-W7 VanDerWaalsContact O-N 3.11Å; D5-W7 PolarHBondContact OD2-NE1 2.91Å; W7-C10 WeakPolarHBondContact O-CB 3.31Å; W7-C10 PolarHBondContact O-N 3.2Å; W7-A11 PolarHBondContact O-N 3.09Å; W7-A26 HydrophobicContact CZ3-CB 4.38Å; W7-A26 WeakPolarHBondContact CZ3-O 3.46Å; W7-G31 WeakPolarHBondContact CH2-O 3.45Å; W7-A33 HydrophobicContact CB-CB 4.04Å; W7-A33 HydrophobicContact CD2-CB 4.12Å; W7-A33 HydrophobicContact CG-CB 3.77Å; W7-L36 HydrophobicContact CB-CD2 4.44Å; W7-L36 WeakPolarHBondContact O-CD2 3.43Å; W7-I115 HydrophobicContact CB-CD1 3.81Å; W7-Y149 HydrophobicContact CB-CE1 4.04Å; W7-Y149 HydrophobicContact CG-CE1 4.46Å; W7-Y149 PolarHBondContact N-OH 2.78Å |
| 8 | R | 90.8 | Very high | 81.3 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74.2 | -42.8 | 179.2 | -163.6 | 165.6 | -169 | -111.5 | -4.6 | 110.9 | D5 D6 C10 A11 E12 L27 | D5-R8 HydrophobicContact CB-CB 4.22Å; D5-R8 WeakPolarHBondContact O-CB 3.48Å; D5-R8 PolarHBondContact O-N 3.09Å; D6-R8 VanDerWaalsContact C-N 3.27Å; D6-R8 PolarHBondContact O-N 3.31Å; R8-C10 VanDerWaalsContact C-N 3.27Å; R8-C10 PolarHBondContact O-N 3.33Å; R8-A11 WeakPolarHBondContact O-CB 3.34Å; R8-A11 PolarHBondContact O-N 3.24Å; R8-A11 VanDerWaalsContact O-N 3.15Å; R8-E12 WeakPolarHBondContact O-CG 3.29Å; R8-E12 PolarHBondContact O-N 2.98Å; R8-L27 PolarHBondContact NH2-O 2.84Å |
| 9 | Q | 92.1 | Very high | 81.6 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 171.2 | -66.4 | 177.8 | 68.2 | 0 | 0 | 112 | D5 D6 W13 F135 | D5-Q9 PolarHBondContact O-N 2.88Å; D6-Q9 PolarHBondContact O-N 2.81Å; Q9-W13 WeakPolarHBondContact O-CB 3.5Å; Q9-W13 PolarHBondContact O-N 3.45Å; Q9-F135 HydrophobicContact CB-CD2 4.23Å |
| 10 | C | 94.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 173.3 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | D6 W7 R8 W13 L14 L36 I115 L118 F135 | D6-C10 WeakPolarHBondContact O-CB 3.25Å; D6-C10 PolarHBondContact O-N 2.86Å; W7-C10 WeakPolarHBondContact O-CB 3.31Å; W7-C10 PolarHBondContact O-N 3.2Å; R8-C10 VanDerWaalsContact C-N 3.27Å; R8-C10 PolarHBondContact O-N 3.33Å; C10-W13 PolarHBondContact O-N 2.79Å; C10-L14 WeakPolarHBondContact O-CG 3.41Å; C10-L14 PolarHBondContact O-N 3.35Å; C10-L36 HydrophobicContact CB-CD2 4.1Å; C10-I115 HydrophobicContact CB-CG2 4.36Å; C10-L118 VanDerWaalsContact SG-CD1 3.55Å; C10-F135 HydrophobicContact CB-CD2 4.31Å; C10-F135 HydrophobicContact CB-CE2 3.57Å; C10-F135 HydrophobicContact CB-CZ 3.71Å; C10-F135 VanDerWaalsContact SG-CZ 3.59Å |
| 11 | A | 93.4 | Very high | 82 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W7 R8 W13 L14 N15 I20 A26 L27 L36 | W7-A11 PolarHBondContact O-N 3.09Å; R8-A11 WeakPolarHBondContact O-CB 3.34Å; R8-A11 PolarHBondContact O-N 3.24Å; R8-A11 VanDerWaalsContact O-N 3.15Å; A11-W13 VanDerWaalsContact C-N 3.3Å; A11-W13 PolarHBondContact O-N 3.2Å; A11-L14 PolarHBondContact O-N 2.92Å; A11-N15 WeakPolarHBondContact O-CB 3.32Å; A11-N15 PolarHBondContact O-N 3.1Å; A11-I20 HydrophobicContact CB-CD1 4.15Å; A11-I20 WeakPolarHBondContact O-CD1 3.37Å; A11-A26 HydrophobicContact CB-CB 4.15Å; A11-L27 HydrophobicContact CB-CD2 3.95Å; A11-L36 HydrophobicContact CB-CD1 4.14Å; A11-L36 HydrophobicContact CB-CD2 4.29Å |
| 12 | E | 93.5 | Very high | 84.1 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 176.3 | -71.4 | 170.5 | -174.3 | 0 | 0 | 112.3 | R8 N15 R16 L27 | R8-E12 WeakPolarHBondContact O-CG 3.29Å; R8-E12 PolarHBondContact O-N 2.98Å; E12-N15 PolarHBondContact O-N 2.68Å; E12-R16 WeakPolarHBondContact O-CG 3.43Å; E12-R16 PolarHBondContact O-N 3.38Å; E12-R16 PolarHBondContact O-NE 3.24Å; E12-L27 HydrophobicContact CG-CD2 4.05Å |
| 13 | W | 95.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 173.6 | 178.7 | 70.8 | 0 | 0 | 0 | 112.4 | Q9 C10 A11 N15 R16 C17 L49 L53 L118 L121 S122 P133 F135 | Q9-W13 WeakPolarHBondContact O-CB 3.5Å; Q9-W13 PolarHBondContact O-N 3.45Å; C10-W13 PolarHBondContact O-N 2.79Å; A11-W13 VanDerWaalsContact C-N 3.3Å; A11-W13 PolarHBondContact O-N 3.2Å; W13-N15 PolarHBondContact O-N 2.99Å; W13-R16 PolarHBondContact O-N 3.09Å; W13-C17 WeakPolarHBondContact O-CB 3.28Å; W13-C17 PolarHBondContact O-N 3.05Å; W13-C17 PolarHBondContact O-SG 3.02Å; W13-C17 VanDerWaalsContact O-SG 3.33Å; W13-L49 HydrophobicContact CH2-CD1 3.94Å; W13-L49 HydrophobicContact CH2-CD2 3.8Å; W13-L49 HydrophobicContact CH2-CG 4.33Å; W13-L49 HydrophobicContact CZ2-CD1 4.46Å; W13-L49 HydrophobicContact CZ3-CD1 4.2Å; W13-L49 HydrophobicContact CZ3-CD2 3.74Å; W13-L53 HydrophobicContact CH2-CD1 3.89Å; W13-L53 HydrophobicContact CZ2-CD1 4Å; W13-L53 HydrophobicContact CZ2-CD2 4.15Å; W13-L118 HydrophobicContact CZ3-CB 4.25Å; W13-L118 HydrophobicContact CZ3-CD2 4.19Å; W13-L121 HydrophobicContact CH2-CD2 4.42Å; W13-L121 HydrophobicContact CH2-CG 4.43Å; W13-S122 VanDerWaalsContact CZ2-CA 3.49Å; W13-P133 VanDerWaalsContact CD1-O 3.22Å; W13-F135 HydrophobicContact CB-CB 4.26Å; W13-F135 HydrophobicContact CB-CD1 3.52Å; W13-F135 HydrophobicContact CB-CE1 4.15Å; W13-F135 HydrophobicContact CB-CG 4.06Å; W13-F135 AromaticContact CD2-CD1 3.57Å; W13-F135 HydrophobicContact CD2-CD1 3.57Å; W13-F135 AromaticContact CD2-CE1 3.68Å; W13-F135 HydrophobicContact CD2-CE1 3.68Å; W13-F135 AromaticContact CE3-CD1 3.79Å; W13-F135 HydrophobicContact CE3-CD1 3.79Å; W13-F135 AromaticContact CE3-CE1 3.36Å; W13-F135 HydrophobicContact CE3-CE1 3.36Å; W13-F135 HydrophobicContact CE3-CZ 4.44Å; W13-F135 AromaticContact CG-CD1 3.45Å; W13-F135 HydrophobicContact CG-CD1 3.45Å; W13-F135 VanDerWaalsContact CG-CD1 3.45Å; W13-F135 HydrophobicContact CG-CE1 4.03Å; W13-F135 HydrophobicContact CG-CG 4.37Å; W13-F135 AromaticContact CZ3-CE1 3.95Å; W13-F135 HydrophobicContact CZ3-CE1 3.95Å |
| 14 | L | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -34 | 175.3 | -70.8 | 166.1 | 0 | 0 | 0 | 112.2 | C10 A11 C17 Q18 V19 I20 L36 L40 L49 | C10-L14 WeakPolarHBondContact O-CG 3.41Å; C10-L14 PolarHBondContact O-N 3.35Å; A11-L14 PolarHBondContact O-N 2.92Å; L14-C17 CarbonylContact O-C 3.47Å; L14-C17 PolarHBondContact O-N 3.18Å; L14-Q18 PolarHBondContact O-N 3.06Å; L14-V19 PolarHBondContact O-N 3.21Å; L14-I20 HydrophobicContact CB-CD1 4.18Å; L14-I20 HydrophobicContact CB-CG1 4.09Å; L14-L36 HydrophobicContact CD1-CD1 3.74Å; L14-L40 HydrophobicContact CD1-CD1 4.11Å; L14-L40 HydrophobicContact CD1-CD2 4.09Å; L14-L49 HydrophobicContact CD2-CD1 4.25Å; L14-L49 HydrophobicContact CD2-CD2 3.81Å |
| 15 | N | 94.1 | Very high | 89.5 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 19% | 0.187 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.9 | -44.2 | 172.8 | 174 | -110.3 | 0 | 0 | 0 | 112.1 | A11 E12 W13 C17 Q18 I20 D22 L27 | A11-N15 WeakPolarHBondContact O-CB 3.32Å; A11-N15 PolarHBondContact O-N 3.1Å; E12-N15 PolarHBondContact O-N 2.68Å; W13-N15 PolarHBondContact O-N 2.99Å; N15-C17 VanDerWaalsContact C-N 3.25Å; N15-C17 PolarHBondContact O-N 3.44Å; N15-Q18 VanDerWaalsContact O-CA 3.3Å; N15-Q18 WeakPolarHBondContact O-CA 3.43Å; N15-Q18 PolarHBondContact O-N 2.85Å; N15-I20 WeakPolarHBondContact CA-O 3.38Å; N15-I20 HydrophobicContact CB-CD1 4.37Å; N15-I20 HydrophobicContact CB-CG1 3.85Å; N15-I20 PolarHBondContact ND2-O 3.47Å; N15-D22 PolarHBondContact ND2-N 3.12Å; N15-D22 PolarHBondContact ND2-OD1 2.81Å; N15-D22 PolarHBondContact OD1-OD1 3.42Å; N15-L27 HydrophobicContact CB-CD1 3.8Å; N15-L27 HydrophobicContact CB-CD2 4.3Å |
| 16 | R | 93.4 | Very high | 90 | Very high | 97 Ų | 97 | 41 Ų | 41 | 37% | 0.366 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.6 | -32.1 | 172.9 | -71.3 | -179.6 | -67.1 | 138.5 | -3 | 113.1 | E12 W13 Q18 I132 P133 | E12-R16 WeakPolarHBondContact O-CG 3.43Å; E12-R16 PolarHBondContact O-N 3.38Å; E12-R16 PolarHBondContact O-NE 3.24Å; W13-R16 PolarHBondContact O-N 3.09Å; R16-Q18 PolarHBondContact O-N 3.36Å; R16-I132 HydrophobicContact CB-CG2 4.07Å; R16-P133 PolarHBondContact NH1-O 2.82Å; R16-P133 PolarHBondContact NH2-O 2.96Å |
| 17 | C | 93 | Very high | 90.1 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 1.3 | 169.7 | -67.7 | 0 | 0 | 0 | 0 | 113.5 | W13 L14 N15 V19 L49 T52 | W13-C17 WeakPolarHBondContact O-CB 3.28Å; W13-C17 PolarHBondContact O-N 3.05Å; W13-C17 PolarHBondContact O-SG 3.02Å; W13-C17 VanDerWaalsContact O-SG 3.33Å; L14-C17 CarbonylContact O-C 3.47Å; L14-C17 PolarHBondContact O-N 3.18Å; N15-C17 VanDerWaalsContact C-N 3.25Å; N15-C17 PolarHBondContact O-N 3.44Å; C17-V19 HydrophobicContact CB-CG2 4.08Å; C17-V19 PolarHBondContact O-N 3.46Å; C17-L49 HydrophobicContact CB-CD1 3.57Å; C17-T52 WeakPolarHBondContact O-CG2 3.34Å |
| 18 | Q | 88.2 | Confident | 89.9 | Confident | 112 Ų | 112 | 42.9 Ų | 42.9 | 52% | 0.523 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 35 | 178.1 | -56.7 | -172.6 | -11.4 | 0 | 0 | 113.5 | L14 N15 R16 M173 | L14-Q18 PolarHBondContact O-N 3.06Å; N15-Q18 VanDerWaalsContact O-CA 3.3Å; N15-Q18 WeakPolarHBondContact O-CA 3.43Å; N15-Q18 PolarHBondContact O-N 2.85Å; R16-Q18 PolarHBondContact O-N 3.36Å; Q18-M173 HydrophobicContact CB-CE 3.52Å; Q18-M173 HydrophobicContact CB-SD 3.57Å; Q18-M173 VanDerWaalsContact CB-SD 3.57Å; Q18-M173 HydrophobicContact CG-SD 4.24Å; Q18-M173 WeakPolarHBondContact O-CE 3.43Å |
| 19 | V | 86.6 | Confident | 89.5 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -99.1 | -30.9 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | L14 C17 A45 L49 | L14-V19 PolarHBondContact O-N 3.21Å; C17-V19 HydrophobicContact CB-CG2 4.08Å; C17-V19 PolarHBondContact O-N 3.46Å; V19-A45 HydrophobicContact CG1-CB 3.67Å; V19-A45 VanDerWaalsContact CG1-O 3.27Å; V19-A45 WeakPolarHBondContact CG1-O 3.15Å; V19-L49 HydrophobicContact CG2-CB 3.82Å; V19-L49 HydrophobicContact CG2-CD1 3.77Å; V19-L49 HydrophobicContact CG2-CG 4.4Å |
| 20 | I | 87.4 | Confident | 89.1 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -121.8 | 145.5 | 170.9 | 67.7 | 173.6 | 0 | 0 | 0 | 109.7 | A11 L14 N15 H24 L27 A39 | A11-I20 HydrophobicContact CB-CD1 4.15Å; A11-I20 WeakPolarHBondContact O-CD1 3.37Å; L14-I20 HydrophobicContact CB-CD1 4.18Å; L14-I20 HydrophobicContact CB-CG1 4.09Å; N15-I20 WeakPolarHBondContact CA-O 3.38Å; N15-I20 HydrophobicContact CB-CD1 4.37Å; N15-I20 HydrophobicContact CB-CG1 3.85Å; N15-I20 PolarHBondContact ND2-O 3.47Å; I20-H24 HydrophobicContact CB-CB 4.37Å; I20-H24 HydrophobicContact CD1-CB 4.33Å; I20-L27 HydrophobicContact CD1-CD1 4.42Å; I20-L27 HydrophobicContact CD1-CD2 4.46Å; I20-L27 HydrophobicContact CD1-CG 4.38Å; I20-A39 HydrophobicContact CG2-CB 4.39Å |
| 21 | P | 84.2 | Confident | 88.6 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 22% | 0.221 | 28% | 0.282 | C | S | . | . | trans | -77.4 | 163.2 | -174 | 33.7 | -37.2 | 0 | 0 | 0 | 111.2 | D23 H24 L27 N169 | P21-D23 WeakPolarHBondContact CB-OD1 3.26Å; P21-D23 WeakPolarHBondContact CG-OD1 3.1Å; P21-D23 PolarHBondContact O-N 2.97Å; P21-H24 HydrophobicContact CG-CB 4.11Å; P21-H24 WeakPolarHBondContact O-CB 3.22Å; P21-H24 PolarHBondContact O-N 2.87Å; P21-H24 VanDerWaalsContact O-N 3.1Å; P21-L27 VanDerWaalsContact O-CD1 3.31Å; P21-L27 WeakPolarHBondContact O-CD1 3.31Å; P21-N169 HydrophobicContact CG-CB 3.69Å | ||
| 22 | D | 85.2 | Confident | 88.3 | Confident | 134 Ų | 134 | 53 Ų | 53 | 72% | 0.717 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28.5 | -177 | -65.5 | -13.8 | 0 | 0 | 0 | 113 | N15 H24 | N15-D22 PolarHBondContact ND2-N 3.12Å; N15-D22 PolarHBondContact ND2-OD1 2.81Å; N15-D22 PolarHBondContact OD1-OD1 3.42Å; D22-H24 VanDerWaalsContact C-N 3.3Å |
| 23 | D | 84.2 | Confident | 87.9 | Confident | 137 Ų | 137 | 49.1 Ų | 49.1 | 73% | 0.733 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 8.5 | 178.3 | 70.7 | -23.8 | 0 | 0 | 0 | 113.3 | P21 | P21-D23 WeakPolarHBondContact CB-OD1 3.26Å; P21-D23 WeakPolarHBondContact CG-OD1 3.1Å; P21-D23 PolarHBondContact O-N 2.97Å |
| 24 | H | 86.2 | Confident | 87.5 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 6% | 0.06 | 27% | 0.274 | C | S | . | . | trans | -58.7 | 133.8 | -178.5 | -170 | -94.2 | 0 | 0 | 0 | 111.5 | I20 P21 D22 A26 L27 H35 N169 | I20-H24 HydrophobicContact CB-CB 4.37Å; I20-H24 HydrophobicContact CD1-CB 4.33Å; P21-H24 HydrophobicContact CG-CB 4.11Å; P21-H24 WeakPolarHBondContact O-CB 3.22Å; P21-H24 PolarHBondContact O-N 2.87Å; P21-H24 VanDerWaalsContact O-N 3.1Å; D22-H24 VanDerWaalsContact C-N 3.3Å; H24-A26 VanDerWaalsContact ND1-CB 3.28Å; H24-A26 WeakPolarHBondContact ND1-CB 3.31Å; H24-A26 PolarHBondContact ND1-N 3.07Å; H24-A26 VanDerWaalsContact ND1-N 3.18Å; H24-A26 PolarHBondContact O-N 2.83Å; H24-L27 HydrophobicContact CB-CD1 4.16Å; H24-L27 HydrophobicContact CB-CG 4.35Å; H24-L27 WeakPolarHBondContact O-CB 3.48Å; H24-L27 PolarHBondContact O-N 3.13Å; H24-H35 PolarHBondContact CE1-O 3.26Å; H24-N169 PolarHBondContact CD2-ND2 3.44Å | ||
| 25 | P | 87.5 | Confident | 87.1 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -29.6 | -176.6 | -29.2 | 35.2 | 0 | 0 | 0 | 115 | L27 G28 G31 H35 | P25-L27 VanDerWaalsContact C-N 3.26Å; P25-L27 PolarHBondContact O-N 2.84Å; P25-G28 PolarHBondContact O-N 2.83Å; P25-G31 WeakPolarHBondContact O-CA 3.49Å; P25-H35 HydrophobicContact CB-CB 4.29Å |
| 26 | A | 88.3 | Confident | 87 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | W7 A11 H24 H35 L36 | W7-A26 HydrophobicContact CZ3-CB 4.38Å; W7-A26 WeakPolarHBondContact CZ3-O 3.46Å; A11-A26 HydrophobicContact CB-CB 4.15Å; H24-A26 VanDerWaalsContact ND1-CB 3.28Å; H24-A26 WeakPolarHBondContact ND1-CB 3.31Å; H24-A26 PolarHBondContact ND1-N 3.07Å; H24-A26 VanDerWaalsContact ND1-N 3.18Å; H24-A26 PolarHBondContact O-N 2.83Å; A26-H35 HydrophobicContact CB-CB 3.91Å; A26-L36 HydrophobicContact CB-CB 4.34Å |
| 27 | L | 88.7 | Confident | 86.8 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -21.2 | 177.6 | -59 | 172.5 | 0 | 0 | 0 | 112 | R8 A11 E12 N15 I20 P21 H24 P25 | R8-L27 PolarHBondContact NH2-O 2.84Å; A11-L27 HydrophobicContact CB-CD2 3.95Å; E12-L27 HydrophobicContact CG-CD2 4.05Å; N15-L27 HydrophobicContact CB-CD1 3.8Å; N15-L27 HydrophobicContact CB-CD2 4.3Å; I20-L27 HydrophobicContact CD1-CD1 4.42Å; I20-L27 HydrophobicContact CD1-CD2 4.46Å; I20-L27 HydrophobicContact CD1-CG 4.38Å; P21-L27 VanDerWaalsContact O-CD1 3.31Å; P21-L27 WeakPolarHBondContact O-CD1 3.31Å; H24-L27 HydrophobicContact CB-CD1 4.16Å; H24-L27 HydrophobicContact CB-CG 4.35Å; H24-L27 WeakPolarHBondContact O-CB 3.48Å; H24-L27 PolarHBondContact O-N 3.13Å; P25-L27 VanDerWaalsContact C-N 3.26Å; P25-L27 PolarHBondContact O-N 2.84Å |
| 28 | G | 85.7 | Confident | 86.5 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 25% | 0.247 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -65.5 | 166.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | P25 D30 G31 | P25-G28 PolarHBondContact O-N 2.83Å; G28-D30 VanDerWaalsContact C-N 3.28Å; G28-D30 PolarHBondContact O-N 2.76Å; G28-G31 PolarHBondContact O-N 3.49Å |
| 29 | P | 83.6 | Confident | 86.5 | Confident | 130 Ų | 130 | 41.8 Ų | 41.8 | 84% | 0.844 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.3 | -179 | 26.3 | -34.3 | 0 | 0 | 0 | 113.1 | G31 | P29-G31 VanDerWaalsContact C-N 3.29Š|
| 30 | D | 82.7 | Confident | 86.8 | Confident | 148 Ų | 148 | 41.6 Ų | 41.6 | 79% | 0.791 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 14.5 | 175.9 | -57.4 | -48.4 | 0 | 0 | 0 | 112.6 | G28 | G28-D30 VanDerWaalsContact C-N 3.28Å; G28-D30 PolarHBondContact O-N 2.76Å |
| 31 | G | 84.1 | Confident | 86.9 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | trans | -62.7 | 150.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W7 P25 G28 P29 | W7-G31 WeakPolarHBondContact CH2-O 3.45Å; P25-G31 WeakPolarHBondContact O-CA 3.49Å; G28-G31 PolarHBondContact O-N 3.49Å; P29-G31 VanDerWaalsContact C-N 3.29Å | ||
| 32 | N | 86.4 | Confident | 87.2 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | trans | -150.2 | 168.7 | 176.2 | 65.8 | 43.6 | 0 | 0 | 0 | 110 | I34 H35 | N32-I34 PolarHBondContact O-N 3Å; N32-I34 VanDerWaalsContact O-N 3.14Å; N32-I34 WeakPolarHBondContact OD1-CA 3.32Å; N32-I34 VanDerWaalsContact OD1-CB 3.29Å; N32-I34 WeakPolarHBondContact OD1-CB 3.47Å; N32-I34 PolarHBondContact OD1-N 2.74Å; N32-H35 PolarHBondContact N-ND1 3.1Å; N32-H35 PolarHBondContact ND2-CE1 3.15Å; N32-H35 WeakPolarHBondContact O-CB 3.44Å; N32-H35 PolarHBondContact O-N 2.86Å; N32-H35 PolarHBondContact OD1-N 3.48Å; N32-H35 VanDerWaalsContact OD1-N 3.15Å; N32-H35 PolarHBondContact OD1-ND1 3.32Å | ||
| 33 | A | 86.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.4 | -24 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W7 L36 V37 Y148 Y149 L152 | W7-A33 HydrophobicContact CB-CB 4.04Å; W7-A33 HydrophobicContact CD2-CB 4.12Å; W7-A33 HydrophobicContact CG-CB 3.77Å; A33-L36 PolarHBondContact O-N 2.97Å; A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.1Å; A33-Y148 HydrophobicContact CB-CE1 3.66Å; A33-Y149 HydrophobicContact CB-CE1 4.4Å; A33-L152 HydrophobicContact CB-CD1 3.93Å; A33-L152 HydrophobicContact CB-CD2 4.38Å |
| 34 | I | 85.8 | Confident | 88 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.9 | -40.2 | 179.7 | -62.7 | 168.4 | 0 | 0 | 0 | 110.5 | N32 L36 V37 Q38 L152 I155 A156 M159 | N32-I34 PolarHBondContact O-N 3Å; N32-I34 VanDerWaalsContact O-N 3.14Å; N32-I34 WeakPolarHBondContact OD1-CA 3.32Å; N32-I34 VanDerWaalsContact OD1-CB 3.29Å; N32-I34 WeakPolarHBondContact OD1-CB 3.47Å; N32-I34 PolarHBondContact OD1-N 2.74Å; I34-L36 PolarHBondContact O-N 3.35Å; I34-V37 PolarHBondContact O-N 3.07Å; I34-Q38 HydrophobicContact CG2-CG 4.34Å; I34-Q38 WeakPolarHBondContact O-CB 3.39Å; I34-Q38 WeakPolarHBondContact O-CG 3.48Å; I34-Q38 PolarHBondContact O-N 2.93Å; I34-L152 HydrophobicContact CG1-CD2 4.18Å; I34-I155 HydrophobicContact CD1-CB 3.71Å; I34-I155 HydrophobicContact CD1-CG2 3.27Å; I34-A156 HydrophobicContact CG2-CB 4.43Å; I34-M159 HydrophobicContact CB-SD 4.18Å; I34-M159 HydrophobicContact CD1-SD 3.43Å; I34-M159 WeakPolarHBondContact CD1-SD 3.14Å; I34-M159 HydrophobicContact CG1-SD 4.4Å; I34-M159 HydrophobicContact CG2-SD 3.95Å |
| 35 | H | 88.1 | Confident | 88.3 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.5 | -37 | 172.3 | -62.4 | 120 | 0 | 0 | 0 | 111.5 | H24 P25 A26 N32 A39 | H24-H35 PolarHBondContact CE1-O 3.26Å; P25-H35 HydrophobicContact CB-CB 4.29Å; A26-H35 HydrophobicContact CB-CB 3.91Å; N32-H35 PolarHBondContact N-ND1 3.1Å; N32-H35 PolarHBondContact ND2-CE1 3.15Å; N32-H35 WeakPolarHBondContact O-CB 3.44Å; N32-H35 PolarHBondContact O-N 2.86Å; N32-H35 PolarHBondContact OD1-N 3.48Å; N32-H35 VanDerWaalsContact OD1-N 3.15Å; N32-H35 PolarHBondContact OD1-ND1 3.32Å; H35-A39 PolarHBondContact O-N 2.96Å |
| 36 | L | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -74.2 | -42.4 | 176.2 | -173.1 | 61 | 0 | 0 | 0 | 112.5 | W7 C10 A11 L14 A26 A33 I34 Q38 A39 L40 F111 | W7-L36 HydrophobicContact CB-CD2 4.44Å; W7-L36 WeakPolarHBondContact O-CD2 3.43Å; C10-L36 HydrophobicContact CB-CD2 4.1Å; A11-L36 HydrophobicContact CB-CD1 4.14Å; A11-L36 HydrophobicContact CB-CD2 4.29Å; L14-L36 HydrophobicContact CD1-CD1 3.74Å; A26-L36 HydrophobicContact CB-CB 4.34Å; A33-L36 PolarHBondContact O-N 2.97Å; I34-L36 PolarHBondContact O-N 3.35Å; L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 3.01Å; L36-A39 PolarHBondContact O-N 2.97Å; L36-L40 HydrophobicContact CD1-CD1 4.09Å; L36-L40 HydrophobicContact CD1-CG 4.34Å; L36-L40 HydrophobicContact CG-CD1 4.04Å; L36-L40 WeakPolarHBondContact O-CG 3.27Å; L36-L40 PolarHBondContact O-N 3.1Å; L36-F111 HydrophobicContact CB-CE1 4.48Å; L36-F111 HydrophobicContact CB-CZ 4.31Å; L36-F111 HydrophobicContact CD2-CE1 4.01Å; L36-F111 HydrophobicContact CD2-CZ 3.82Å; L36-F111 HydrophobicContact CG-CE1 4.33Å; L36-F111 HydrophobicContact CG-CZ 3.85Å |
| 37 | V | 90.3 | Very high | 89 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.036 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.7 | -46 | 173.9 | 170 | 0 | 0 | 0 | 0 | 110.3 | A33 I34 A39 L40 M41 A108 F111 L152 | A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.1Å; I34-V37 PolarHBondContact O-N 3.07Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 2.99Å; V37-L40 PolarHBondContact O-N 3.04Å; V37-M41 WeakPolarHBondContact O-CB 3.39Å; V37-M41 PolarHBondContact O-N 3.33Å; V37-A108 HydrophobicContact CG1-CB 3.92Å; V37-F111 HydrophobicContact CG2-CB 4.21Å; V37-F111 HydrophobicContact CG2-CD1 3.79Å; V37-F111 HydrophobicContact CG2-CD2 3.52Å; V37-F111 HydrophobicContact CG2-CE1 3.98Å; V37-F111 HydrophobicContact CG2-CE2 3.73Å; V37-F111 HydrophobicContact CG2-CG 3.55Å; V37-F111 HydrophobicContact CG2-CZ 3.96Å; V37-L152 HydrophobicContact CG2-CD1 4.12Å |
| 38 | Q | 86.6 | Confident | 89.2 | Confident | 33 Ų | 33 | 25.4 Ų | 25.4 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56 | -43.1 | 178.8 | -73.5 | 171 | -6.8 | 0 | 0 | 112.7 | I34 L36 L40 L162 | I34-Q38 HydrophobicContact CG2-CG 4.34Å; I34-Q38 WeakPolarHBondContact O-CB 3.39Å; I34-Q38 WeakPolarHBondContact O-CG 3.48Å; I34-Q38 PolarHBondContact O-N 2.93Å; L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 3.01Å; Q38-L40 PolarHBondContact O-N 3.23Å; Q38-L162 HydrophobicContact CG-CD2 3.44Å; Q38-L162 VanDerWaalsContact CG-CD2 3.44Å |
| 39 | A | 88.1 | Confident | 89.6 | Confident | 19 Ų | 19 | 24.3 Ų | 24.3 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.8 | -20.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I20 H35 L36 V37 A45 | I20-A39 HydrophobicContact CG2-CB 4.39Å; H35-A39 PolarHBondContact O-N 2.96Å; L36-A39 PolarHBondContact O-N 2.97Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 2.99Å; A39-A45 WeakPolarHBondContact O-CB 3.48Å |
| 40 | L | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -112 | -11.1 | -173.7 | -56.5 | -179.8 | 0 | 0 | 0 | 113.7 | L14 L36 V37 Q38 D42 G43 A45 L46 I105 F111 L118 | L14-L40 HydrophobicContact CD1-CD1 4.11Å; L14-L40 HydrophobicContact CD1-CD2 4.09Å; L36-L40 HydrophobicContact CD1-CD1 4.09Å; L36-L40 HydrophobicContact CD1-CG 4.34Å; L36-L40 HydrophobicContact CG-CD1 4.04Å; L36-L40 WeakPolarHBondContact O-CG 3.27Å; L36-L40 PolarHBondContact O-N 3.1Å; V37-L40 PolarHBondContact O-N 3.04Å; Q38-L40 PolarHBondContact O-N 3.23Å; L40-D42 VanDerWaalsContact C-N 3.28Å; L40-D42 PolarHBondContact O-N 3.18Å; L40-G43 PolarHBondContact O-N 2.91Å; L40-G43 VanDerWaalsContact O-N 3.1Å; L40-A45 HydrophobicContact CD2-CB 4.08Å; L40-L46 HydrophobicContact CB-CD1 4.27Å; L40-L46 HydrophobicContact CB-CG 4.26Å; L40-L46 HydrophobicContact CD1-CD2 4.33Å; L40-L46 HydrophobicContact CD2-CD2 3.82Å; L40-L46 HydrophobicContact CD2-CG 3.96Å; L40-L46 HydrophobicContact CG-CD2 4.47Å; L40-I105 HydrophobicContact CB-CG2 4.3Å; L40-F111 HydrophobicContact CD1-CE2 4.2Å; L40-F111 HydrophobicContact CD1-CZ 4.17Å; L40-L118 HydrophobicContact CD1-CD1 4.14Å |
| 41 | M | 90.5 | Very high | 90.5 | Very high | 48 Ų | 48 | 11.4 Ų | 11.4 | 24% | 0.236 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.7 | -169.1 | -162.3 | 176.6 | 56.6 | 0 | 0 | 114.1 | V37 G43 Y106 | V37-M41 WeakPolarHBondContact O-CB 3.39Å; V37-M41 PolarHBondContact O-N 3.33Å; M41-G43 VanDerWaalsContact C-N 3.34Å; M41-Y106 HydrophobicContact CG-CD2 4.03Å; M41-Y106 HydrophobicContact CG-CG 4.44Å; M41-Y106 VanDerWaalsContact SD-O 3.42Å |
| 42 | D | 90.1 | Very high | 90.7 | Very high | 10 Ų | 10 | 11.7 Ų | 11.7 | 5% | 0.053 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.6 | -179.4 | 66.2 | 13.7 | 0 | 0 | 0 | 113.8 | L40 V44 P70 Q71 N80 | L40-D42 VanDerWaalsContact C-N 3.28Å; L40-D42 PolarHBondContact O-N 3.18Å; D42-V44 HydrophobicContact CB-CG2 4.36Å; D42-V44 PolarHBondContact O-N 2.77Å; D42-V44 WeakPolarHBondContact OD1-CB 3.39Å; D42-V44 PolarHBondContact OD1-N 3.28Å; D42-P70 HydrophobicContact CB-CG 3.69Å; D42-Q71 PolarHBondContact OD2-NE2 3.48Å; D42-N80 VanDerWaalsContact O-CB 3.26Å; D42-N80 WeakPolarHBondContact O-CB 3Å; D42-N80 PolarHBondContact O-ND2 3.29Å |
| 43 | G | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.056 | C | C | . | . | S | Bend | trans | 69.7 | -2.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L40 M41 C47 | L40-G43 PolarHBondContact O-N 2.91Å; L40-G43 VanDerWaalsContact O-N 3.1Å; M41-G43 VanDerWaalsContact C-N 3.34Å; G43-C47 VanDerWaalsContact O-CB 3.27Å; G43-C47 WeakPolarHBondContact O-CB 3.36Å; G43-C47 PolarHBondContact O-N 2.7Å; G43-C47 PolarHBondContact O-SG 3.43Å |
| 44 | V | 92.9 | Very high | 91.1 | Very high | 9 Ų | 9 | 10.2 Ų | 10.2 | 6% | 0.055 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.5 | -52.9 | -176.7 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | D42 L46 C47 H48 F66 P70 | D42-V44 HydrophobicContact CB-CG2 4.36Å; D42-V44 PolarHBondContact O-N 2.77Å; D42-V44 WeakPolarHBondContact OD1-CB 3.39Å; D42-V44 PolarHBondContact OD1-N 3.28Å; V44-L46 VanDerWaalsContact C-N 3.3Å; V44-L46 PolarHBondContact O-N 2.9Å; V44-C47 WeakPolarHBondContact O-CB 3.36Å; V44-C47 PolarHBondContact O-N 2.81Å; V44-H48 PolarHBondContact O-CD2 3.18Å; V44-H48 VanDerWaalsContact O-CD2 3.24Å; V44-H48 PolarHBondContact O-N 2.94Å; V44-F66 HydrophobicContact CG1-CZ 4.24Å; V44-P70 HydrophobicContact CG2-CG 3.82Å |
| 45 | A | 92.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 14.7 Ų | 14.7 | 9% | 0.091 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.6 | -41.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V19 A39 L40 H48 L49 | V19-A45 HydrophobicContact CG1-CB 3.67Å; V19-A45 VanDerWaalsContact CG1-O 3.27Å; V19-A45 WeakPolarHBondContact CG1-O 3.15Å; A39-A45 WeakPolarHBondContact O-CB 3.48Å; L40-A45 HydrophobicContact CD2-CB 4.08Å; A45-H48 PolarHBondContact O-N 3Å; A45-L49 PolarHBondContact O-N 3.16Å |
| 46 | L | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.6 | -70.6 | 178.7 | 0 | 0 | 0 | 112.2 | L40 V44 L49 L81 F84 F100 I105 L118 | L40-L46 HydrophobicContact CB-CD1 4.27Å; L40-L46 HydrophobicContact CB-CG 4.26Å; L40-L46 HydrophobicContact CD1-CD2 4.33Å; L40-L46 HydrophobicContact CD2-CD2 3.82Å; L40-L46 HydrophobicContact CD2-CG 3.96Å; L40-L46 HydrophobicContact CG-CD2 4.47Å; V44-L46 VanDerWaalsContact C-N 3.3Å; V44-L46 PolarHBondContact O-N 2.9Å; L46-L49 WeakPolarHBondContact O-CB 3.26Å; L46-L49 PolarHBondContact O-N 3.19Å; L46-L81 HydrophobicContact CD1-CD2 3.76Å; L46-F84 VanDerWaalsContact C-CD2 3.43Å; L46-F84 HydrophobicContact CB-CB 4.38Å; L46-F84 HydrophobicContact CB-CD1 4.45Å; L46-F84 HydrophobicContact CB-CD2 3.6Å; L46-F84 HydrophobicContact CB-CE2 3.88Å; L46-F84 HydrophobicContact CB-CG 3.88Å; L46-F84 HydrophobicContact CB-CZ 4.44Å; L46-F84 HydrophobicContact CD1-CD1 4.44Å; L46-F84 HydrophobicContact CD2-CE2 4.28Å; L46-F84 HydrophobicContact CD2-CZ 4.19Å; L46-F84 WeakPolarHBondContact O-CD2 3.25Å; L46-F84 VanDerWaalsContact O-CE2 3.24Å; L46-F84 WeakPolarHBondContact O-CE2 3.47Å; L46-F100 HydrophobicContact CD1-CE1 4.45Å; L46-F100 HydrophobicContact CD1-CZ 3.94Å; L46-I105 HydrophobicContact CD1-CD1 3.76Å; L46-L118 HydrophobicContact CD2-CD1 4.2Å; L46-L118 HydrophobicContact CD2-CD2 3.74Å; L46-L118 HydrophobicContact CD2-CG 4.47Å |
| 47 | C | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | 174.2 | -88.6 | 0 | 0 | 0 | 0 | 111.1 | G43 V44 L49 L50 I60 F66 | G43-C47 VanDerWaalsContact O-CB 3.27Å; G43-C47 WeakPolarHBondContact O-CB 3.36Å; G43-C47 PolarHBondContact O-N 2.7Å; G43-C47 PolarHBondContact O-SG 3.43Å; V44-C47 WeakPolarHBondContact O-CB 3.36Å; V44-C47 PolarHBondContact O-N 2.81Å; C47-L49 VanDerWaalsContact C-N 3.34Å; C47-L49 PolarHBondContact O-N 3Å; C47-L50 WeakPolarHBondContact O-CB 3.25Å; C47-L50 PolarHBondContact O-N 2.99Å; C47-L50 VanDerWaalsContact O-N 3.09Å; C47-I60 HydrophobicContact CB-CG2 3.81Å; C47-I60 WeakPolarHBondContact O-CG1 3.34Å; C47-F66 HydrophobicContact CB-CD2 3.95Å; C47-F66 HydrophobicContact CB-CE2 3.48Å; C47-F66 VanDerWaalsContact CB-CE2 3.48Å; C47-F66 HydrophobicContact CB-CZ 4.34Å |
| 48 | H | 90.9 | Very high | 89.7 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -35.8 | 177.8 | -78.8 | -67.7 | 0 | 0 | 0 | 114 | V44 A45 L50 S51 T52 F66 Y170 | V44-H48 PolarHBondContact O-CD2 3.18Å; V44-H48 VanDerWaalsContact O-CD2 3.24Å; V44-H48 PolarHBondContact O-N 2.94Å; A45-H48 PolarHBondContact O-N 3Å; H48-L50 PolarHBondContact O-N 3.23Å; H48-S51 WeakPolarHBondContact O-CA 3.35Å; H48-S51 WeakPolarHBondContact O-CB 3.45Å; H48-S51 PolarHBondContact O-N 3.48Å; H48-T52 PolarHBondContact O-N 3.23Å; H48-T52 VanDerWaalsContact O-N 3.14Å; H48-F66 AromaticContact NE2-CZ 3.77Å; H48-Y170 HydrophobicContact CB-CD1 4.33Å; H48-Y170 HydrophobicContact CB-CD2 4.01Å; H48-Y170 HydrophobicContact CB-CE1 4.22Å; H48-Y170 HydrophobicContact CB-CE2 3.85Å; H48-Y170 HydrophobicContact CB-CG 4.24Å; H48-Y170 AromaticContact CD2-CD1 3.67Å; H48-Y170 AromaticContact CD2-CE1 3.85Å; H48-Y170 AromaticContact CE1-CD1 3.85Å; H48-Y170 AromaticContact CE1-CE1 3.32Å; H48-Y170 WeakPolarHBondContact CE1-CE1 3.27Å; H48-Y170 AromaticContact CE1-CZ 3.98Å; H48-Y170 AromaticContact CG-CD1 3.69Å; H48-Y170 AromaticContact CG-CE1 3.5Å; H48-Y170 AromaticContact CG-CZ 3.7Å; H48-Y170 AromaticContact ND1-CD1 3.81Å; H48-Y170 AromaticContact ND1-CE1 3.15Å; H48-Y170 WeakPolarHBondContact ND1-CE1 3.49Å; H48-Y170 AromaticContact ND1-CZ 3.35Å; H48-Y170 VanDerWaalsContact ND1-CZ 3.35Å; H48-Y170 AromaticContact NE2-CD1 3.8Å; H48-Y170 AromaticContact NE2-CE1 3.76Å |
| 49 | L | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -50.6 | -40.6 | 172.1 | 175.9 | 65.8 | 0 | 0 | 0 | 112 | W13 L14 C17 V19 A45 L46 C47 S51 T52 L53 L118 L121 | W13-L49 HydrophobicContact CH2-CD1 3.94Å; W13-L49 HydrophobicContact CH2-CD2 3.8Å; W13-L49 HydrophobicContact CH2-CG 4.33Å; W13-L49 HydrophobicContact CZ2-CD1 4.46Å; W13-L49 HydrophobicContact CZ3-CD1 4.2Å; W13-L49 HydrophobicContact CZ3-CD2 3.74Å; L14-L49 HydrophobicContact CD2-CD1 4.25Å; L14-L49 HydrophobicContact CD2-CD2 3.81Å; C17-L49 HydrophobicContact CB-CD1 3.57Å; V19-L49 HydrophobicContact CG2-CB 3.82Å; V19-L49 HydrophobicContact CG2-CD1 3.77Å; V19-L49 HydrophobicContact CG2-CG 4.4Å; A45-L49 PolarHBondContact O-N 3.16Å; L46-L49 WeakPolarHBondContact O-CB 3.26Å; L46-L49 PolarHBondContact O-N 3.19Å; C47-L49 VanDerWaalsContact C-N 3.34Å; C47-L49 PolarHBondContact O-N 3Å; L49-S51 VanDerWaalsContact C-N 3.31Å; L49-S51 PolarHBondContact O-N 3.27Å; L49-T52 PolarHBondContact O-N 3.49Å; L49-L53 HydrophobicContact CD1-CD1 3.88Å; L49-L53 HydrophobicContact CD1-CD2 4.42Å; L49-L53 HydrophobicContact CD1-CG 3.94Å; L49-L53 HydrophobicContact CD2-CD1 4.41Å; L49-L53 HydrophobicContact CG-CD1 3.82Å; L49-L53 HydrophobicContact CG-CG 4.22Å; L49-L53 WeakPolarHBondContact O-CB 3.31Å; L49-L53 VanDerWaalsContact O-CG 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.05Å; L49-L53 PolarHBondContact O-N 3.25Å; L49-L118 HydrophobicContact CD2-CD2 3.76Å; L49-L121 HydrophobicContact CD2-CD2 3.9Å |
| 50 | L | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.9 | -31.9 | 179.7 | -58.9 | -178.5 | 0 | 0 | 0 | 112.6 | C47 H48 S54 I60 F84 L87 F92 L121 | C47-L50 WeakPolarHBondContact O-CB 3.25Å; C47-L50 PolarHBondContact O-N 2.99Å; C47-L50 VanDerWaalsContact O-N 3.09Å; H48-L50 PolarHBondContact O-N 3.23Å; L50-S54 WeakPolarHBondContact O-CB 3.34Å; L50-S54 PolarHBondContact O-N 3.19Å; L50-S54 VanDerWaalsContact O-N 3.15Å; L50-S54 PolarHBondContact O-OG 3.24Å; L50-I60 HydrophobicContact CB-CD1 4.26Å; L50-F84 HydrophobicContact CD1-CD2 3.57Å; L50-F84 HydrophobicContact CD1-CE2 4.02Å; L50-F84 HydrophobicContact CD1-CG 4.41Å; L50-F84 HydrophobicContact CD2-CD2 4.11Å; L50-F84 HydrophobicContact CD2-CE2 3.66Å; L50-F84 HydrophobicContact CD2-CZ 4.49Å; L50-F84 HydrophobicContact CG-CD2 3.74Å; L50-F84 HydrophobicContact CG-CE2 3.76Å; L50-L87 HydrophobicContact CD1-CB 3.47Å; L50-L87 VanDerWaalsContact CD1-CB 3.47Å; L50-L87 HydrophobicContact CD1-CD1 3.89Å; L50-L87 HydrophobicContact CD1-CG 4.36Å; L50-F92 HydrophobicContact CB-CE2 4.01Å; L50-F92 HydrophobicContact CB-CZ 4.35Å; L50-F92 HydrophobicContact CD2-CD2 4Å; L50-F92 HydrophobicContact CD2-CE2 3.64Å; L50-F92 HydrophobicContact CD2-CZ 4.1Å; L50-F92 HydrophobicContact CG-CE2 4.3Å; L50-L121 HydrophobicContact CD2-CD1 4.1Å; L50-L121 HydrophobicContact CD2-CD2 3.77Å |
| 51 | S | 89.5 | Confident | 88.7 | Confident | 7 Ų | 7 | 28.1 Ų | 28.1 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.5 | -47.6 | 171.9 | -164 | 0 | 0 | 0 | 0 | 110.4 | H48 L49 L53 S54 H56 L58 | H48-S51 WeakPolarHBondContact O-CA 3.35Å; H48-S51 WeakPolarHBondContact O-CB 3.45Å; H48-S51 PolarHBondContact O-N 3.48Å; L49-S51 VanDerWaalsContact C-N 3.31Å; L49-S51 PolarHBondContact O-N 3.27Å; S51-L53 PolarHBondContact O-N 3.24Å; S51-S54 PolarHBondContact O-N 3.25Å; S51-S54 PolarHBondContact O-OG 3.14Å; S51-H56 WeakPolarHBondContact O-CA 3.37Å; S51-H56 PolarHBondContact O-N 2.95Å; S51-H56 PolarHBondContact OG-ND1 3.03Å; S51-L58 WeakPolarHBondContact CB-O 3.37Å; S51-L58 PolarHBondContact OG-O 3.3Å |
| 52 | T | 89 | Confident | 88 | Confident | 23 Ų | 23 | 28.9 Ų | 28.9 | 14% | 0.141 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 177 | -51.7 | 0 | 0 | 0 | 0 | 112 | C17 H48 L49 S54 N55 | C17-T52 WeakPolarHBondContact O-CG2 3.34Å; H48-T52 PolarHBondContact O-N 3.23Å; H48-T52 VanDerWaalsContact O-N 3.14Å; L49-T52 PolarHBondContact O-N 3.49Å; T52-S54 PolarHBondContact O-N 3.09Å; T52-N55 PolarHBondContact O-N 2.79Å; T52-N55 VanDerWaalsContact O-N 3.16Å |
| 53 | L | 93.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.1 | -11.2 | -178.2 | -64.4 | 179.9 | 0 | 0 | 0 | 114.5 | W13 L49 S51 F92 L121 R126 A127 T130 | W13-L53 HydrophobicContact CH2-CD1 3.89Å; W13-L53 HydrophobicContact CZ2-CD1 4Å; W13-L53 HydrophobicContact CZ2-CD2 4.15Å; L49-L53 HydrophobicContact CD1-CD1 3.88Å; L49-L53 HydrophobicContact CD1-CD2 4.42Å; L49-L53 HydrophobicContact CD1-CG 3.94Å; L49-L53 HydrophobicContact CD2-CD1 4.41Å; L49-L53 HydrophobicContact CG-CD1 3.82Å; L49-L53 HydrophobicContact CG-CG 4.22Å; L49-L53 WeakPolarHBondContact O-CB 3.31Å; L49-L53 VanDerWaalsContact O-CG 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.05Å; L49-L53 PolarHBondContact O-N 3.25Å; S51-L53 PolarHBondContact O-N 3.24Å; L53-F92 HydrophobicContact CB-CE1 3.72Å; L53-F92 HydrophobicContact CB-CZ 3.95Å; L53-L121 HydrophobicContact CD1-CD1 4.1Å; L53-L121 HydrophobicContact CD1-CD2 3.87Å; L53-L121 HydrophobicContact CD1-CG 3.73Å; L53-R126 CarbonylContact O-C 3.53Å; L53-A127 HydrophobicContact CD1-CB 4.22Å; L53-A127 HydrophobicContact CD2-CB 3.92Å; L53-A127 HydrophobicContact CG-CB 4.45Å; L53-T130 HydrophobicContact CD2-CG2 4.41Å |
| 54 | S | 88.2 | Confident | 87 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 13.2 | 175 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | L50 S51 T52 H56 E57 L58 | L50-S54 WeakPolarHBondContact O-CB 3.34Å; L50-S54 PolarHBondContact O-N 3.19Å; L50-S54 VanDerWaalsContact O-N 3.15Å; L50-S54 PolarHBondContact O-OG 3.24Å; S51-S54 PolarHBondContact O-N 3.25Å; S51-S54 PolarHBondContact O-OG 3.14Å; T52-S54 PolarHBondContact O-N 3.09Å; S54-H56 PolarHBondContact O-N 3.24Å; S54-E57 WeakPolarHBondContact O-CB 3.44Å; S54-E57 WeakPolarHBondContact O-CG 3.36Å; S54-E57 PolarHBondContact O-N 3.31Å; S54-L58 WeakPolarHBondContact OG-CB 3.5Å; S54-L58 PolarHBondContact OG-N 2.98Å; S54-L58 VanDerWaalsContact OG-N 3.12Å |
| 55 | N | 81.1 | Confident | 86.7 | Confident | 99 Ų | 99 | 41.8 Ų | 41.8 | 53% | 0.529 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 38.2 | -171.5 | -63 | -30.7 | 0 | 0 | 0 | 112.1 | T52 E57 | T52-N55 PolarHBondContact O-N 2.79Å; T52-N55 VanDerWaalsContact O-N 3.16Å; N55-E57 PolarHBondContact O-N 2.92Å |
| 56 | H | 76.8 | Confident | 86.6 | Confident | 120 Ų | 120 | 41.5 Ų | 41.5 | 56% | 0.556 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 16.9 | -177.2 | -53 | -69.3 | 0 | 0 | 0 | 115.9 | S51 S54 L58 | S51-H56 WeakPolarHBondContact O-CA 3.37Å; S51-H56 PolarHBondContact O-N 2.95Å; S51-H56 PolarHBondContact OG-ND1 3.03Å; S54-H56 PolarHBondContact O-N 3.24Å; H56-L58 VanDerWaalsContact C-N 3.3Å |
| 57 | E | 81.4 | Confident | 86.4 | Confident | 123 Ų | 123 | 41.6 Ų | 41.6 | 58% | 0.575 | 21% | 0.207 | S | C | * | . | trans | -64.9 | -35.9 | 168.8 | -70.4 | -178.5 | 169.4 | 0 | 0 | 111.9 | S54 N55 D59 R126 | S54-E57 WeakPolarHBondContact O-CB 3.44Å; S54-E57 WeakPolarHBondContact O-CG 3.36Å; S54-E57 PolarHBondContact O-N 3.31Å; N55-E57 PolarHBondContact O-N 2.92Å; E57-D59 PolarHBondContact O-N 3.32Å; E57-R126 IonicContact OE2-CZ 3.69Å; E57-R126 IonicContact OE2-NE 2.73Å; E57-R126 IonicContact OE2-NH2 3.36Å; E57-R126 PolarHBondContact OE2-NH2 3.46Å | ||
| 58 | L | 85.2 | Confident | 85.8 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 9% | 0.089 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -87.9 | 103.7 | 173.3 | -60.8 | 175.2 | 0 | 0 | 0 | 109.5 | S51 S54 H56 I60 E91 F92 | S51-L58 WeakPolarHBondContact CB-O 3.37Å; S51-L58 PolarHBondContact OG-O 3.3Å; S54-L58 WeakPolarHBondContact OG-CB 3.5Å; S54-L58 PolarHBondContact OG-N 2.98Å; S54-L58 VanDerWaalsContact OG-N 3.12Å; H56-L58 VanDerWaalsContact C-N 3.3Å; L58-I60 HydrophobicContact CB-CD1 4.38Å; L58-I60 PolarHBondContact O-N 2.9Å; L58-E91 HydrophobicContact CD1-CB 3.88Å; L58-E91 HydrophobicContact CD1-CG 4.04Å; L58-E91 HydrophobicContact CD2-CB 4.43Å; L58-E91 HydrophobicContact CD2-CG 3.84Å; L58-F92 HydrophobicContact CD1-CE2 3.59Å; L58-F92 HydrophobicContact CD1-CZ 4.12Å |
| 59 | D | 81.3 | Confident | 85.4 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 21% | 0.214 | 24% | 0.241 | C | C | . | . | trans | -86.1 | 94 | 169.9 | 179 | 23.8 | 0 | 0 | 0 | 110.5 | E57 R61 S62 N302 | E57-D59 PolarHBondContact O-N 3.32Å; D59-R61 PolarHBondContact O-N 2.82Å; D59-R61 WeakPolarHBondContact OD1-CB 3.49Å; D59-R61 PolarHBondContact OD1-N 3.01Å; D59-R61 VanDerWaalsContact OD1-N 3.13Å; D59-S62 PolarHBondContact O-N 3.2Å; D59-S62 PolarHBondContact O-OG 2.78Å; D59-S62 WeakPolarHBondContact OD2-CB 3.28Å; D59-S62 PolarHBondContact OD2-N 3.3Å; D59-S62 PolarHBondContact OD2-OG 2.96Å; D59-N302 PolarHBondContact OD2-ND2 3.44Å; D59-N302 PolarHBondContact OD2-OD1 3.48Å | ||
| 60 | I | 86.7 | Confident | 85 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -65.6 | -28.2 | -179.3 | -53.5 | -69.1 | 0 | 0 | 0 | 111.9 | C47 L50 L58 S62 M63 F66 L87 | C47-I60 HydrophobicContact CB-CG2 3.81Å; C47-I60 WeakPolarHBondContact O-CG1 3.34Å; L50-I60 HydrophobicContact CB-CD1 4.26Å; L58-I60 HydrophobicContact CB-CD1 4.38Å; L58-I60 PolarHBondContact O-N 2.9Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 2.93Å; I60-M63 HydrophobicContact CD1-CE 3.89Å; I60-M63 HydrophobicContact CD1-SD 4.18Å; I60-M63 WeakPolarHBondContact O-CB 3.41Å; I60-M63 PolarHBondContact O-N 2.92Å; I60-M63 VanDerWaalsContact O-N 3.13Å; I60-F66 HydrophobicContact CG2-CB 4.32Å; I60-F66 HydrophobicContact CG2-CD1 4.09Å; I60-F66 HydrophobicContact CG2-CD2 3.79Å; I60-F66 HydrophobicContact CG2-CE1 4.33Å; I60-F66 HydrophobicContact CG2-CE2 4.07Å; I60-F66 HydrophobicContact CG2-CG 3.79Å; I60-F66 HydrophobicContact CG2-CZ 4.32Å; I60-L87 HydrophobicContact CD1-CD1 3.49Å; I60-L87 VanDerWaalsContact CD1-CD1 3.49Å |
| 61 | R | 78.6 | Confident | 84.2 | Confident | 69 Ų | 69 | 51.3 Ų | 51.3 | 26% | 0.26 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -72.5 | -26.4 | -176.6 | -61.2 | -172.1 | -89.8 | -138.1 | -20 | 113.1 | D59 M63 E174 | D59-R61 PolarHBondContact O-N 2.82Å; D59-R61 WeakPolarHBondContact OD1-CB 3.49Å; D59-R61 PolarHBondContact OD1-N 3.01Å; D59-R61 VanDerWaalsContact OD1-N 3.13Å; R61-M63 VanDerWaalsContact C-N 3.25Å; R61-E174 IonicContact CZ-OE1 2.84Å; R61-E174 IonicContact CZ-OE2 3.17Å; R61-E174 IonicContact NH1-OE1 3.87Å; R61-E174 PolarHBondContact NH1-OE1 3.01Å; R61-E174 IonicContact NH1-OE2 3.1Å; R61-E174 PolarHBondContact NH1-OE2 3.2Å; R61-E174 IonicContact NH2-OE1 3.75Å; R61-E174 PolarHBondContact NH2-OE1 3.18Å |
| 62 | S | 75.1 | Confident | 83.8 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 44% | 0.441 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -75.8 | -13 | 172.7 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | D59 I60 K64 N302 | D59-S62 PolarHBondContact O-N 3.2Å; D59-S62 PolarHBondContact O-OG 2.78Å; D59-S62 WeakPolarHBondContact OD2-CB 3.28Å; D59-S62 PolarHBondContact OD2-N 3.3Å; D59-S62 PolarHBondContact OD2-OG 2.96Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 2.93Å; S62-K64 PolarHBondContact O-N 2.8Å; S62-N302 VanDerWaalsContact CB-ND2 3.31Å; S62-N302 WeakPolarHBondContact CB-ND2 3.37Å |
| 63 | M | 84.2 | Confident | 83.9 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 23% | 0.232 | 28% | 0.275 | C | S | . | . | trans | -75.5 | 124.7 | -173.8 | -61.2 | -169.3 | -175.8 | 0 | 0 | 110.9 | I60 R61 D65 F66 L83 L87 | I60-M63 HydrophobicContact CD1-CE 3.89Å; I60-M63 HydrophobicContact CD1-SD 4.18Å; I60-M63 WeakPolarHBondContact O-CB 3.41Å; I60-M63 PolarHBondContact O-N 2.92Å; I60-M63 VanDerWaalsContact O-N 3.13Å; R61-M63 VanDerWaalsContact C-N 3.25Å; M63-D65 PolarHBondContact O-N 3.14Å; M63-D65 VanDerWaalsContact O-N 3.12Å; M63-F66 HydrophobicContact CB-CB 4.29Å; M63-F66 WeakPolarHBondContact O-CB 3.46Å; M63-F66 PolarHBondContact O-N 3.01Å; M63-F66 VanDerWaalsContact O-N 3.09Å; M63-L83 HydrophobicContact CB-CD2 4.45Å; M63-L83 HydrophobicContact SD-CD1 4.03Å; M63-L83 HydrophobicContact SD-CD2 4.35Å; M63-L87 HydrophobicContact CE-CD1 3.99Å; M63-L87 HydrophobicContact CE-CD2 3.93Å; M63-L87 HydrophobicContact SD-CD1 3.77Å; M63-L87 HydrophobicContact SD-CD2 4.17Å; M63-L87 HydrophobicContact SD-CG 4.5Å | ||
| 64 | K | 80.2 | Confident | 83.8 | Confident | 162 Ų | 162 | 57.2 Ų | 57.2 | 70% | 0.704 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.7 | -178.6 | -175.4 | 178.6 | 176.7 | -177.1 | 0 | 113.9 | S62 Q397 | S62-K64 PolarHBondContact O-N 2.8Å; K64-Q397 PolarHBondContact O-NE2 3.13Å |
| 65 | D | 85.4 | Confident | 84.1 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 7.6 | -175.5 | -62.7 | -33.6 | 0 | 0 | 0 | 113.4 | M63 Q79 | M63-D65 PolarHBondContact O-N 3.14Å; M63-D65 VanDerWaalsContact O-N 3.12Å; D65-Q79 WeakPolarHBondContact O-CG 3.26Å; D65-Q79 PolarHBondContact O-NE2 3.01Å |
| 66 | F | 91.1 | Very high | 84.7 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | trans | -94.7 | 135.7 | 175.4 | 179.7 | -115.9 | 0 | 0 | 0 | 110.9 | V44 C47 H48 I60 M63 H68 N80 L83 Q397 | V44-F66 HydrophobicContact CG1-CZ 4.24Å; C47-F66 HydrophobicContact CB-CD2 3.95Å; C47-F66 HydrophobicContact CB-CE2 3.48Å; C47-F66 VanDerWaalsContact CB-CE2 3.48Å; C47-F66 HydrophobicContact CB-CZ 4.34Å; H48-F66 AromaticContact NE2-CZ 3.77Å; I60-F66 HydrophobicContact CG2-CB 4.32Å; I60-F66 HydrophobicContact CG2-CD1 4.09Å; I60-F66 HydrophobicContact CG2-CD2 3.79Å; I60-F66 HydrophobicContact CG2-CE1 4.33Å; I60-F66 HydrophobicContact CG2-CE2 4.07Å; I60-F66 HydrophobicContact CG2-CG 3.79Å; I60-F66 HydrophobicContact CG2-CZ 4.32Å; M63-F66 HydrophobicContact CB-CB 4.29Å; M63-F66 WeakPolarHBondContact O-CB 3.46Å; M63-F66 PolarHBondContact O-N 3.01Å; M63-F66 VanDerWaalsContact O-N 3.09Å; F66-H68 AromaticContact CD1-CD2 3.93Å; F66-H68 AromaticContact CD1-NE2 3.82Å; F66-H68 AromaticContact CE1-CD2 3.79Å; F66-H68 AromaticContact CE1-CE1 3.6Å; F66-H68 AromaticContact CE1-CG 3.81Å; F66-H68 AromaticContact CE1-ND1 3.67Å; F66-H68 AromaticContact CE1-NE2 3.66Å; F66-N80 WeakPolarHBondContact CD2-OD1 3.36Å; F66-L83 HydrophobicContact CB-CD2 3.67Å; F66-L83 HydrophobicContact CD2-CD2 4.18Å; F66-L83 HydrophobicContact CG-CD2 4.38Å; F66-Q397 PolarHBondContact O-NE2 3.24Å | ||
| 67 | S | 90.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | trans | -116.8 | 127.4 | 172.3 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | N80 S394 | S67-N80 PolarHBondContact N-OD1 2.95Å; S67-N80 PolarHBondContact O-ND2 2.82Å; S67-S394 PolarHBondContact OG-OG 3.24Å | ||
| 68 | H | 84.5 | Confident | 86.1 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -76 | -28.2 | 178.9 | -73.6 | -95.6 | 0 | 0 | 0 | 113.7 | F66 P70 | F66-H68 AromaticContact CD1-CD2 3.93Å; F66-H68 AromaticContact CD1-NE2 3.82Å; F66-H68 AromaticContact CE1-CD2 3.79Å; F66-H68 AromaticContact CE1-CE1 3.6Å; F66-H68 AromaticContact CE1-CG 3.81Å; F66-H68 AromaticContact CE1-ND1 3.67Å; F66-H68 AromaticContact CE1-NE2 3.66Å; H68-P70 VanDerWaalsContact C-CD 3.43Å |
| 69 | M | 82.2 | Confident | 86.5 | Confident | 96 Ų | 96 | 43.6 Ų | 43.6 | 47% | 0.473 | 21% | 0.214 | S | C | . | . | trans | -129.4 | 61.3 | -174.5 | -61.7 | -168.2 | 76.6 | 0 | 0 | 111.8 | Q71 R387 | M69-Q71 VanDerWaalsContact C-N 3.32Å; M69-Q71 PolarHBondContact O-N 2.81Å; M69-R387 HydrophobicContact CE-CG 4.38Å; M69-R387 HydrophobicContact SD-CG 4.04Å | ||
| 70 | P | 86.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -81.2 | -5.4 | -173.4 | 38.9 | -44.1 | 0 | 0 | 0 | 113.8 | D42 V44 H68 N72 S73 L76 C77 | D42-P70 HydrophobicContact CB-CG 3.69Å; V44-P70 HydrophobicContact CG2-CG 3.82Å; H68-P70 VanDerWaalsContact C-CD 3.43Å; P70-N72 VanDerWaalsContact C-N 3.29Å; P70-N72 PolarHBondContact O-N 2.67Å; P70-S73 CarbonylContact O-C 3.51Å; P70-S73 WeakPolarHBondContact O-CA 3.47Å; P70-S73 PolarHBondContact O-N 2.72Å; P70-L76 HydrophobicContact CB-CB 3.53Å; P70-C77 PolarHBondContact O-SG 2.85Å | ||
| 71 | Q | 77.9 | Confident | 87.6 | Confident | 55 Ų | 55 | 41.7 Ų | 41.7 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -37.9 | -164.4 | -59.2 | -68 | 0 | 0 | 0 | 115.3 | D42 M69 S73 S165 | D42-Q71 PolarHBondContact OD2-NE2 3.48Å; M69-Q71 VanDerWaalsContact C-N 3.32Å; M69-Q71 PolarHBondContact O-N 2.81Å; Q71-S73 VanDerWaalsContact C-N 3.28Å; Q71-S73 PolarHBondContact O-N 3.46Å; Q71-S165 PolarHBondContact NE2-O 3.42Å; Q71-S165 PolarHBondContact NE2-OG 2.88Å; Q71-S165 PolarHBondContact OE1-OG 3.49Å |
| 72 | N | 80.8 | Confident | 88.4 | Confident | 118 Ų | 118 | 40.4 Ų | 40.4 | 63% | 0.631 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 4.4 | -180 | -67.9 | -21.3 | 0 | 0 | 0 | 113.5 | P70 | P70-N72 VanDerWaalsContact C-N 3.29Å; P70-N72 PolarHBondContact O-N 2.67Å |
| 73 | S | 90.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -129.1 | 108.1 | -175 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | P70 Q71 F75 L76 C77 D422 | P70-S73 CarbonylContact O-C 3.51Å; P70-S73 WeakPolarHBondContact O-CA 3.47Å; P70-S73 PolarHBondContact O-N 2.72Å; Q71-S73 VanDerWaalsContact C-N 3.28Å; Q71-S73 PolarHBondContact O-N 3.46Å; S73-F75 PolarHBondContact O-N 3.04Å; S73-L76 PolarHBondContact O-N 2.87Å; S73-L76 WeakPolarHBondContact OG-CG 3.49Å; S73-L76 PolarHBondContact OG-N 3.48Å; S73-L76 VanDerWaalsContact OG-N 3.12Å; S73-C77 PolarHBondContact O-N 2.86Å; S73-C77 VanDerWaalsContact O-N 3.07Å; S73-C77 PolarHBondContact O-SG 3.42Å; S73-C77 VanDerWaalsContact O-SG 3.36Å; S73-D422 WeakPolarHBondContact CA-OD1 3.23Å; S73-D422 WeakPolarHBondContact CB-OD1 3.29Å; S73-D422 PolarHBondContact OG-OD1 3.18Å |
| 74 | Q | 92.1 | Very high | 90.1 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 16% | 0.164 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -40.7 | 172.3 | 176.8 | -174.6 | -19.2 | 0 | 0 | 110 | F78 Y106 D422 Y439 | Q74-F78 HydrophobicContact CG-CD2 3.99Å; Q74-F78 HydrophobicContact CG-CE2 3.95Å; Q74-F78 VanDerWaalsContact O-CD2 3.25Å; Q74-F78 WeakPolarHBondContact O-CD2 3.49Å; Q74-F78 PolarHBondContact O-N 2.96Å; Q74-Y106 HydrophobicContact CB-CE1 4.41Å; Q74-Y106 WeakPolarHBondContact CB-OH 3.18Å; Q74-Y106 HydrophobicContact CG-CE1 3.75Å; Q74-Y106 HydrophobicContact CG-CE2 4.47Å; Q74-D422 PolarHBondContact N-OD2 2.82Å; Q74-Y439 WeakPolarHBondContact CB-OH 3.37Å |
| 75 | F | 93.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 4% | 0.039 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.1 | -50.9 | 177.8 | 168.2 | -108.1 | 0 | 0 | 0 | 112.5 | S73 F78 Q79 I398 S401 D422 Y439 F441 F457 | S73-F75 PolarHBondContact O-N 3.04Å; F75-F78 WeakPolarHBondContact O-CB 3.36Å; F75-F78 PolarHBondContact O-N 3.29Å; F75-Q79 WeakPolarHBondContact O-CB 3.4Å; F75-Q79 PolarHBondContact O-N 2.83Å; F75-I398 HydrophobicContact CD1-CG1 3.69Å; F75-I398 HydrophobicContact CE1-CG1 3.97Å; F75-S401 VanDerWaalsContact CZ-CB 3.44Å; F75-D422 PolarHBondContact N-OD2 3.5Å; F75-Y439 HydrophobicContact CB-CE1 4.33Å; F75-Y439 PolarHBondContact N-OH 2.87Å; F75-F441 HydrophobicContact CB-CE1 4.03Å; F75-F441 HydrophobicContact CB-CZ 4.28Å; F75-F441 HydrophobicContact CD1-CE1 4.47Å; F75-F441 HydrophobicContact CG-CE1 4.36Å; F75-F441 HydrophobicContact CG-CZ 4.39Å; F75-F457 AromaticContact CD2-CE2 3.35Å; F75-F457 HydrophobicContact CD2-CE2 3.35Å; F75-F457 AromaticContact CD2-CZ 3.76Å; F75-F457 HydrophobicContact CD2-CZ 3.76Å; F75-F457 AromaticContact CE2-CE2 3.69Å; F75-F457 HydrophobicContact CE2-CE2 3.69Å; F75-F457 HydrophobicContact CE2-CZ 4.42Å; F75-F457 HydrophobicContact CG-CE2 4.03Å; F75-F457 HydrophobicContact CG-CZ 4.42Å |
| 76 | L | 93.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.9 | -36.3 | -177.1 | -62.8 | 172.2 | 0 | 0 | 0 | 111.8 | P70 S73 F78 Q79 N80 Q397 I398 | P70-L76 HydrophobicContact CB-CB 3.53Å; S73-L76 PolarHBondContact O-N 2.87Å; S73-L76 WeakPolarHBondContact OG-CG 3.49Å; S73-L76 PolarHBondContact OG-N 3.48Å; S73-L76 VanDerWaalsContact OG-N 3.12Å; L76-F78 VanDerWaalsContact C-N 3.33Å; L76-F78 PolarHBondContact O-N 3Å; L76-Q79 WeakPolarHBondContact O-CB 3.47Å; L76-Q79 PolarHBondContact O-N 3.06Å; L76-Q79 VanDerWaalsContact O-N 3.15Å; L76-N80 PolarHBondContact O-N 2.73Å; L76-Q397 HydrophobicContact CD2-CB 4.22Å; L76-I398 HydrophobicContact CD1-CD1 4.3Å; L76-I398 HydrophobicContact CD2-CG1 4.32Å; L76-I398 HydrophobicContact CG-CG1 4.45Å |
| 77 | C | 93.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 172.2 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | P70 S73 Q79 N80 L81 Y106 | P70-C77 PolarHBondContact O-SG 2.85Å; S73-C77 PolarHBondContact O-N 2.86Å; S73-C77 VanDerWaalsContact O-N 3.07Å; S73-C77 PolarHBondContact O-SG 3.42Å; S73-C77 VanDerWaalsContact O-SG 3.36Å; C77-Q79 VanDerWaalsContact C-N 3.29Å; C77-Q79 PolarHBondContact O-N 3.45Å; C77-N80 PolarHBondContact O-N 2.82Å; C77-L81 VanDerWaalsContact O-CG 3.27Å; C77-L81 WeakPolarHBondContact O-CG 3.27Å; C77-L81 PolarHBondContact O-N 2.79Å; C77-Y106 HydrophobicContact CB-CD2 3.62Å; C77-Y106 HydrophobicContact CB-CE2 3.55Å |
| 78 | F | 94.2 | Very high | 91.9 | Very high | 49 Ų | 49 | 29.9 Ų | 29.9 | 22% | 0.215 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -35.9 | 175.1 | -91.9 | -118.2 | 0 | 0 | 0 | 112.4 | Q74 F75 L76 R82 P102 Y106 H107 | Q74-F78 HydrophobicContact CG-CD2 3.99Å; Q74-F78 HydrophobicContact CG-CE2 3.95Å; Q74-F78 VanDerWaalsContact O-CD2 3.25Å; Q74-F78 WeakPolarHBondContact O-CD2 3.49Å; Q74-F78 PolarHBondContact O-N 2.96Å; F75-F78 WeakPolarHBondContact O-CB 3.36Å; F75-F78 PolarHBondContact O-N 3.29Å; L76-F78 VanDerWaalsContact C-N 3.33Å; L76-F78 PolarHBondContact O-N 3Å; F78-R82 WeakPolarHBondContact O-CB 3.1Å; F78-R82 VanDerWaalsContact O-CG 3.32Å; F78-R82 WeakPolarHBondContact O-CG 3.3Å; F78-R82 PolarHBondContact O-N 3.03Å; F78-R82 PolarHBondContact O-NE 2.77Å; F78-P102 HydrophobicContact CB-CB 4.45Å; F78-P102 HydrophobicContact CD1-CB 3.57Å; F78-P102 HydrophobicContact CD1-CG 4.31Å; F78-P102 HydrophobicContact CE1-CB 3.86Å; F78-P102 HydrophobicContact CG-CB 3.96Å; F78-P102 HydrophobicContact CZ-CB 4.48Å; F78-Y106 HydrophobicContact CD2-CD1 4.32Å; F78-Y106 HydrophobicContact CD2-CD2 4.25Å; F78-Y106 HydrophobicContact CD2-CG 4.02Å; F78-Y106 AromaticContact CE2-CD1 3.49Å; F78-Y106 HydrophobicContact CE2-CD1 3.49Å; F78-Y106 VanDerWaalsContact CE2-CD1 3.49Å; F78-Y106 HydrophobicContact CE2-CD2 4.17Å; F78-Y106 HydrophobicContact CE2-CE1 4.13Å; F78-Y106 AromaticContact CE2-CG 3.5Å; F78-Y106 HydrophobicContact CE2-CG 3.5Å; F78-Y106 VanDerWaalsContact CE2-CG 3.5Å; F78-Y106 HydrophobicContact CZ-CD1 4.37Å; F78-H107 AromaticContact CZ-CE1 3.75Å |
| 79 | Q | 94.4 | Very high | 92.5 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.9 | -47.7 | 178 | -173.2 | 171 | -8.6 | 0 | 0 | 111.6 | D65 F75 L76 C77 L81 R82 L83 | D65-Q79 WeakPolarHBondContact O-CG 3.26Å; D65-Q79 PolarHBondContact O-NE2 3.01Å; F75-Q79 WeakPolarHBondContact O-CB 3.4Å; F75-Q79 PolarHBondContact O-N 2.83Å; L76-Q79 WeakPolarHBondContact O-CB 3.47Å; L76-Q79 PolarHBondContact O-N 3.06Å; L76-Q79 VanDerWaalsContact O-N 3.15Å; C77-Q79 VanDerWaalsContact C-N 3.29Å; C77-Q79 PolarHBondContact O-N 3.45Å; Q79-L81 PolarHBondContact O-N 3.04Å; Q79-R82 PolarHBondContact O-N 3.43Å; Q79-L83 WeakPolarHBondContact O-CB 3.26Å; Q79-L83 PolarHBondContact O-N 3.14Å |
| 80 | N | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 174.7 | -76.3 | -8.6 | 0 | 0 | 0 | 112.2 | D42 F66 S67 L76 C77 R82 L83 F84 | D42-N80 VanDerWaalsContact O-CB 3.26Å; D42-N80 WeakPolarHBondContact O-CB 3Å; D42-N80 PolarHBondContact O-ND2 3.29Å; F66-N80 WeakPolarHBondContact CD2-OD1 3.36Å; S67-N80 PolarHBondContact N-OD1 2.95Å; S67-N80 PolarHBondContact O-ND2 2.82Å; L76-N80 PolarHBondContact O-N 2.73Å; C77-N80 PolarHBondContact O-N 2.82Å; N80-R82 VanDerWaalsContact C-N 3.33Å; N80-R82 PolarHBondContact O-N 3.38Å; N80-L83 WeakPolarHBondContact O-CB 3.45Å; N80-L83 PolarHBondContact O-N 3.38Å; N80-F84 PolarHBondContact O-N 3.32Å |
| 81 | L | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 177.6 | -69.5 | 172.9 | 0 | 0 | 0 | 112.2 | L46 C77 Q79 T85 F100 P102 I105 | L46-L81 HydrophobicContact CD1-CD2 3.76Å; C77-L81 VanDerWaalsContact O-CG 3.27Å; C77-L81 WeakPolarHBondContact O-CG 3.27Å; C77-L81 PolarHBondContact O-N 2.79Å; Q79-L81 PolarHBondContact O-N 3.04Å; L81-T85 WeakPolarHBondContact O-CG2 3.46Å; L81-T85 PolarHBondContact O-N 3.2Å; L81-T85 VanDerWaalsContact O-N 3.17Å; L81-T85 PolarHBondContact O-OG1 2.95Å; L81-F100 HydrophobicContact CB-CE2 4.43Å; L81-F100 HydrophobicContact CD2-CE2 4.09Å; L81-F100 HydrophobicContact CD2-CZ 4.25Å; L81-P102 HydrophobicContact CB-CB 3.89Å; L81-P102 HydrophobicContact CB-CG 4.2Å; L81-P102 HydrophobicContact CD1-CB 4.09Å; L81-P102 WeakPolarHBondContact CD1-O 3.32Å; L81-I105 HydrophobicContact CD1-CB 4.46Å; L81-I105 HydrophobicContact CD2-CB 4.48Å; L81-I105 HydrophobicContact CD2-CD1 4.13Å |
| 82 | R | 95.3 | Very high | 94.3 | Very high | 42 Ų | 42 | 32.4 Ų | 32.4 | 16% | 0.158 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.3 | -47.8 | 173 | -77 | -177.3 | -64.3 | 129.1 | -0.7 | 111.1 | F78 Q79 N80 F84 T85 Q86 P102 D455 | F78-R82 WeakPolarHBondContact O-CB 3.1Å; F78-R82 VanDerWaalsContact O-CG 3.32Å; F78-R82 WeakPolarHBondContact O-CG 3.3Å; F78-R82 PolarHBondContact O-N 3.03Å; F78-R82 PolarHBondContact O-NE 2.77Å; Q79-R82 PolarHBondContact O-N 3.43Å; N80-R82 VanDerWaalsContact C-N 3.33Å; N80-R82 PolarHBondContact O-N 3.38Å; R82-F84 VanDerWaalsContact C-N 3.3Å; R82-F84 PolarHBondContact O-N 2.91Å; R82-T85 PolarHBondContact O-N 2.87Å; R82-T85 VanDerWaalsContact O-N 3.12Å; R82-T85 PolarHBondContact O-OG1 3.1Å; R82-Q86 WeakPolarHBondContact O-CG 3.39Å; R82-Q86 PolarHBondContact O-N 2.8Å; R82-P102 HydrophobicContact CG-CG 3.52Å; R82-D455 IonicContact CZ-OD2 3.41Å; R82-D455 IonicContact NE-OD1 2.71Å; R82-D455 IonicContact NH1-OD1 2.79Å; R82-D455 IonicContact NH1-OD2 2.81Å; R82-D455 PolarHBondContact NH1-OD2 2.89Å |
| 83 | L | 95.8 | Very high | 95 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.1 | -48.1 | 177.6 | 178.1 | 62.1 | 0 | 0 | 0 | 110.9 | M63 F66 Q79 N80 T85 Q86 L87 | M63-L83 HydrophobicContact CB-CD2 4.45Å; M63-L83 HydrophobicContact SD-CD1 4.03Å; M63-L83 HydrophobicContact SD-CD2 4.35Å; F66-L83 HydrophobicContact CB-CD2 3.67Å; F66-L83 HydrophobicContact CD2-CD2 4.18Å; F66-L83 HydrophobicContact CG-CD2 4.38Å; Q79-L83 WeakPolarHBondContact O-CB 3.26Å; Q79-L83 PolarHBondContact O-N 3.14Å; N80-L83 WeakPolarHBondContact O-CB 3.45Å; N80-L83 PolarHBondContact O-N 3.38Å; L83-T85 PolarHBondContact O-N 2.82Å; L83-Q86 PolarHBondContact O-N 3.08Å; L83-L87 HydrophobicContact CD1-CD1 3.97Å; L83-L87 HydrophobicContact CD1-CG 4.08Å; L83-L87 HydrophobicContact CG-CD1 3.98Å; L83-L87 HydrophobicContact CG-CG 4.47Å; L83-L87 WeakPolarHBondContact O-CB 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 3.49Å |
| 84 | F | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.3 | -51.2 | 175.2 | 172.9 | -96.7 | 0 | 0 | 0 | 112.3 | L46 L50 N80 R82 Q86 L87 C88 F100 T117 L118 L121 | L46-F84 VanDerWaalsContact C-CD2 3.43Å; L46-F84 HydrophobicContact CB-CB 4.38Å; L46-F84 HydrophobicContact CB-CD1 4.45Å; L46-F84 HydrophobicContact CB-CD2 3.6Å; L46-F84 HydrophobicContact CB-CE2 3.88Å; L46-F84 HydrophobicContact CB-CG 3.88Å; L46-F84 HydrophobicContact CB-CZ 4.44Å; L46-F84 HydrophobicContact CD1-CD1 4.44Å; L46-F84 HydrophobicContact CD2-CE2 4.28Å; L46-F84 HydrophobicContact CD2-CZ 4.19Å; L46-F84 WeakPolarHBondContact O-CD2 3.25Å; L46-F84 VanDerWaalsContact O-CE2 3.24Å; L46-F84 WeakPolarHBondContact O-CE2 3.47Å; L50-F84 HydrophobicContact CD1-CD2 3.57Å; L50-F84 HydrophobicContact CD1-CE2 4.02Å; L50-F84 HydrophobicContact CD1-CG 4.41Å; L50-F84 HydrophobicContact CD2-CD2 4.11Å; L50-F84 HydrophobicContact CD2-CE2 3.66Å; L50-F84 HydrophobicContact CD2-CZ 4.49Å; L50-F84 HydrophobicContact CG-CD2 3.74Å; L50-F84 HydrophobicContact CG-CE2 3.76Å; N80-F84 PolarHBondContact O-N 3.32Å; R82-F84 VanDerWaalsContact C-N 3.3Å; R82-F84 PolarHBondContact O-N 2.91Å; F84-Q86 VanDerWaalsContact C-N 3.35Å; F84-Q86 PolarHBondContact O-N 3.37Å; F84-L87 PolarHBondContact O-N 3.12Å; F84-C88 WeakPolarHBondContact CE1-SG 3.37Å; F84-C88 WeakPolarHBondContact CZ-SG 3.33Å; F84-C88 WeakPolarHBondContact O-CB 3.22Å; F84-C88 PolarHBondContact O-N 2.97Å; F84-C88 PolarHBondContact O-SG 3.21Å; F84-F100 AromaticContact CD1-CE1 3.74Å; F84-F100 HydrophobicContact CD1-CE1 3.74Å; F84-F100 AromaticContact CD1-CZ 3.54Å; F84-F100 HydrophobicContact CD1-CZ 3.54Å; F84-F100 AromaticContact CE1-CE1 3.51Å; F84-F100 HydrophobicContact CE1-CE1 3.51Å; F84-F100 AromaticContact CE1-CZ 3.84Å; F84-F100 HydrophobicContact CE1-CZ 3.84Å; F84-T117 HydrophobicContact CE1-CG2 4.43Å; F84-L118 HydrophobicContact CZ-CD2 3.94Å; F84-L121 HydrophobicContact CE2-CD2 4.1Å; F84-L121 HydrophobicContact CZ-CD2 3.86Å |
| 85 | T | 97.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65 | -37.9 | -178.9 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | L81 R82 L83 C88 E89 L99 F100 | L81-T85 WeakPolarHBondContact O-CG2 3.46Å; L81-T85 PolarHBondContact O-N 3.2Å; L81-T85 VanDerWaalsContact O-N 3.17Å; L81-T85 PolarHBondContact O-OG1 2.95Å; R82-T85 PolarHBondContact O-N 2.87Å; R82-T85 VanDerWaalsContact O-N 3.12Å; R82-T85 PolarHBondContact O-OG1 3.1Å; L83-T85 PolarHBondContact O-N 2.82Å; T85-C88 WeakPolarHBondContact O-CB 3.33Å; T85-C88 PolarHBondContact O-N 2.66Å; T85-E89 PolarHBondContact O-N 2.96Å; T85-E89 VanDerWaalsContact O-N 3.08Å; T85-L99 HydrophobicContact CG2-CB 4.46Å; T85-L99 WeakPolarHBondContact O-CD1 3.37Å; T85-F100 HydrophobicContact CG2-CD2 4.14Å; T85-F100 HydrophobicContact CG2-CE1 4.27Å; T85-F100 HydrophobicContact CG2-CE2 3.81Å; T85-F100 HydrophobicContact CG2-CG 4.48Å; T85-F100 HydrophobicContact CG2-CZ 3.89Å |
| 86 | Q | 95.8 | Very high | 95.3 | Very high | 95 Ų | 95 | 42.7 Ų | 42.7 | 44% | 0.444 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 176.7 | -71.4 | 173.7 | 3.8 | 0 | 0 | 111.7 | R82 L83 F84 E89 K90 | R82-Q86 WeakPolarHBondContact O-CG 3.39Å; R82-Q86 PolarHBondContact O-N 2.8Å; L83-Q86 PolarHBondContact O-N 3.08Å; F84-Q86 VanDerWaalsContact C-N 3.35Å; F84-Q86 PolarHBondContact O-N 3.37Å; Q86-E89 PolarHBondContact O-N 3.47Å; Q86-K90 VanDerWaalsContact O-CB 3.3Å; Q86-K90 WeakPolarHBondContact O-CB 3.16Å; Q86-K90 PolarHBondContact O-N 3.34Å |
| 87 | L | 95.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.2 | -36.9 | 176.3 | -69.1 | 174.1 | 0 | 0 | 0 | 112.1 | L50 I60 M63 L83 F84 E89 K90 E91 | L50-L87 HydrophobicContact CD1-CB 3.47Å; L50-L87 VanDerWaalsContact CD1-CB 3.47Å; L50-L87 HydrophobicContact CD1-CD1 3.89Å; L50-L87 HydrophobicContact CD1-CG 4.36Å; I60-L87 HydrophobicContact CD1-CD1 3.49Å; I60-L87 VanDerWaalsContact CD1-CD1 3.49Å; M63-L87 HydrophobicContact CE-CD1 3.99Å; M63-L87 HydrophobicContact CE-CD2 3.93Å; M63-L87 HydrophobicContact SD-CD1 3.77Å; M63-L87 HydrophobicContact SD-CD2 4.17Å; M63-L87 HydrophobicContact SD-CG 4.5Å; L83-L87 HydrophobicContact CD1-CD1 3.97Å; L83-L87 HydrophobicContact CD1-CG 4.08Å; L83-L87 HydrophobicContact CG-CD1 3.98Å; L83-L87 HydrophobicContact CG-CG 4.47Å; L83-L87 WeakPolarHBondContact O-CB 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 3.49Å; F84-L87 PolarHBondContact O-N 3.12Å; L87-E89 VanDerWaalsContact C-N 3.28Å; L87-E89 PolarHBondContact O-N 3Å; L87-K90 PolarHBondContact O-N 2.98Å; L87-E91 HydrophobicContact CD2-CG 4.15Å; L87-E91 WeakPolarHBondContact O-CA 3.18Å; L87-E91 WeakPolarHBondContact O-CB 3.43Å; L87-E91 PolarHBondContact O-N 3.11Å |
| 88 | C | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.3 | -43 | 171.4 | -76 | 0 | 0 | 0 | 0 | 111.9 | F84 T85 F92 D93 I94 L99 | F84-C88 WeakPolarHBondContact CE1-SG 3.37Å; F84-C88 WeakPolarHBondContact CZ-SG 3.33Å; F84-C88 WeakPolarHBondContact O-CB 3.22Å; F84-C88 PolarHBondContact O-N 2.97Å; F84-C88 PolarHBondContact O-SG 3.21Å; T85-C88 WeakPolarHBondContact O-CB 3.33Å; T85-C88 PolarHBondContact O-N 2.66Å; C88-F92 CarbonylContact O-C 3.54Å; C88-F92 WeakPolarHBondContact O-CB 3.35Å; C88-F92 PolarHBondContact O-N 3.47Å; C88-D93 PolarHBondContact O-N 2.58Å; C88-I94 HydrophobicContact CB-CB 4.3Å; C88-I94 HydrophobicContact CB-CD1 3.99Å; C88-I94 HydrophobicContact CB-CG1 4.39Å; C88-I94 WeakPolarHBondContact O-CB 3.32Å; C88-I94 PolarHBondContact O-N 3.04Å; C88-L99 HydrophobicContact CB-CD2 3.74Å |
| 89 | E | 96.7 | Very high | 95.4 | Very high | 61 Ų | 61 | 49.8 Ų | 49.8 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.1 | -50.4 | 176.5 | -171 | -174.1 | 172.3 | 0 | 0 | 111.8 | T85 Q86 L87 D93 I94 R96 L99 | T85-E89 PolarHBondContact O-N 2.96Å; T85-E89 VanDerWaalsContact O-N 3.08Å; Q86-E89 PolarHBondContact O-N 3.47Å; L87-E89 VanDerWaalsContact C-N 3.28Å; L87-E89 PolarHBondContact O-N 3Å; E89-D93 PolarHBondContact O-N 2.86Å; E89-I94 WeakPolarHBondContact CA-O 3.33Å; E89-R96 HydrophobicContact CG-CG 4.19Å; E89-R96 WeakPolarHBondContact OE1-CG 3.39Å; E89-R96 IonicContact OE1-CZ 3.11Å; E89-R96 IonicContact OE1-NE 3.74Å; E89-R96 PolarHBondContact OE1-NE 3.5Å; E89-R96 IonicContact OE1-NH2 2.66Å; E89-R96 PolarHBondContact OE1-NH2 2.96Å; E89-R96 VanDerWaalsContact OE2-CG 3.3Å; E89-R96 WeakPolarHBondContact OE2-CG 3.46Å; E89-R96 IonicContact OE2-CZ 3.55Å; E89-R96 IonicContact OE2-NE 3.97Å; E89-R96 PolarHBondContact OE2-NE 3.49Å; E89-R96 IonicContact OE2-NH2 2.93Å; E89-R96 PolarHBondContact OE2-NH2 3.49Å; E89-L99 HydrophobicContact CB-CD1 4.06Å |
| 90 | K | 94.6 | Very high | 95.4 | Very high | 153 Ų | 153 | 49.1 Ų | 49.1 | 67% | 0.665 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -77.4 | -40.1 | -169.2 | -176.1 | -172.5 | 169 | -160.6 | 0 | 113.5 | Q86 L87 | Q86-K90 VanDerWaalsContact O-CB 3.3Å; Q86-K90 WeakPolarHBondContact O-CB 3.16Å; Q86-K90 PolarHBondContact O-N 3.34Å; L87-K90 PolarHBondContact O-N 2.98Å |
| 91 | E | 93.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -107.7 | -18.3 | -169 | -59.5 | -63.3 | 153.7 | 0 | 0 | 113.5 | L58 L87 R126 | L58-E91 HydrophobicContact CD1-CB 3.88Å; L58-E91 HydrophobicContact CD1-CG 4.04Å; L58-E91 HydrophobicContact CD2-CB 4.43Å; L58-E91 HydrophobicContact CD2-CG 3.84Å; L87-E91 HydrophobicContact CD2-CG 4.15Å; L87-E91 WeakPolarHBondContact O-CA 3.18Å; L87-E91 WeakPolarHBondContact O-CB 3.43Å; L87-E91 PolarHBondContact O-N 3.11Å; E91-R126 WeakPolarHBondContact O-CD 3.4Å; E91-R126 PolarHBondContact O-NH1 2.73Å; E91-R126 IonicContact OE2-NH1 2.74Å; E91-R126 PolarHBondContact OE2-NH1 3.03Å; E91-R126 VanDerWaalsContact OE2-NH1 3.14Å |
| 92 | F | 96.1 | Very high | 95.2 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -121.4 | 7.4 | -178.7 | -66.2 | -94.7 | 0 | 0 | 0 | 113.5 | L50 L53 L58 C88 I94 L121 R126 | L50-F92 HydrophobicContact CB-CE2 4.01Å; L50-F92 HydrophobicContact CB-CZ 4.35Å; L50-F92 HydrophobicContact CD2-CD2 4Å; L50-F92 HydrophobicContact CD2-CE2 3.64Å; L50-F92 HydrophobicContact CD2-CZ 4.1Å; L50-F92 HydrophobicContact CG-CE2 4.3Å; L53-F92 HydrophobicContact CB-CE1 3.72Å; L53-F92 HydrophobicContact CB-CZ 3.95Å; L58-F92 HydrophobicContact CD1-CE2 3.59Å; L58-F92 HydrophobicContact CD1-CZ 4.12Å; C88-F92 CarbonylContact O-C 3.54Å; C88-F92 WeakPolarHBondContact O-CB 3.35Å; C88-F92 PolarHBondContact O-N 3.47Å; F92-I94 HydrophobicContact CB-CD1 4.4Å; F92-I94 HydrophobicContact CB-CG1 4.14Å; F92-I94 PolarHBondContact O-N 3.26Å; F92-L121 HydrophobicContact CB-CD1 3.87Å; F92-L121 HydrophobicContact CD1-CD1 3.59Å; F92-L121 HydrophobicContact CD2-CD1 4.26Å; F92-L121 HydrophobicContact CE1-CD1 4.17Å; F92-L121 HydrophobicContact CG-CD1 3.64Å; F92-R126 HydrophobicContact CD1-CB 3.79Å; F92-R126 HydrophobicContact CE1-CB 3.65Å |
| 93 | D | 94.8 | Very high | 94.9 | Very high | 141 Ų | 141 | 54 Ų | 54 | 75% | 0.754 | 27% | 0.266 | S | S | * | . | trans | 54.9 | 33.5 | 177 | -58.1 | -56.6 | 0 | 0 | 0 | 113.9 | C88 E89 P95 | C88-D93 PolarHBondContact O-N 2.58Å; E89-D93 PolarHBondContact O-N 2.86Å; D93-P95 WeakPolarHBondContact O-CD 3.47Å | ||
| 94 | I | 96.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | trans | -82.8 | 121.2 | 179 | -56.2 | -172.1 | 0 | 0 | 0 | 110.1 | C88 E89 F92 R96 L98 L99 K120 L121 | C88-I94 HydrophobicContact CB-CB 4.3Å; C88-I94 HydrophobicContact CB-CD1 3.99Å; C88-I94 HydrophobicContact CB-CG1 4.39Å; C88-I94 WeakPolarHBondContact O-CB 3.32Å; C88-I94 PolarHBondContact O-N 3.04Å; E89-I94 WeakPolarHBondContact CA-O 3.33Å; F92-I94 HydrophobicContact CB-CD1 4.4Å; F92-I94 HydrophobicContact CB-CG1 4.14Å; F92-I94 PolarHBondContact O-N 3.26Å; I94-R96 PolarHBondContact O-N 3.27Å; I94-L98 HydrophobicContact CG2-CB 4.4Å; I94-L99 HydrophobicContact CB-CD2 4.11Å; I94-L99 HydrophobicContact CG2-CD2 3.62Å; I94-L99 HydrophobicContact CG2-CG 4.31Å; I94-K120 HydrophobicContact CG2-CG 4.45Å; I94-L121 HydrophobicContact CD1-CB 3.57Å; I94-L121 HydrophobicContact CD1-CD1 3.7Å; I94-L121 HydrophobicContact CD1-CG 4.2Å | ||
| 95 | P | 94.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 54.6 Ų | 54.6 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | trans | -59.4 | 136 | 179.6 | -26.4 | 35.4 | 0 | 0 | 0 | 113.4 | D93 N97 L98 | D93-P95 WeakPolarHBondContact O-CD 3.47Å; P95-N97 WeakPolarHBondContact CB-OD1 3.22Å; P95-N97 PolarHBondContact O-N 3.24Å; P95-L98 HydrophobicContact CB-CG 4.46Å; P95-L98 HydrophobicContact CG-CD1 4.33Å; P95-L98 WeakPolarHBondContact O-CB 3.23Å; P95-L98 PolarHBondContact O-N 3.48Å | ||
| 96 | R | 93.4 | Very high | 93.9 | Very high | 177 Ų | 177 | 56.2 Ų | 56.2 | 67% | 0.668 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -50.4 | -36 | -179.7 | -73.5 | -171.2 | 178.2 | 150.4 | 23.2 | 114.9 | E89 I94 L98 L99 | E89-R96 HydrophobicContact CG-CG 4.19Å; E89-R96 WeakPolarHBondContact OE1-CG 3.39Å; E89-R96 IonicContact OE1-CZ 3.11Å; E89-R96 IonicContact OE1-NE 3.74Å; E89-R96 PolarHBondContact OE1-NE 3.5Å; E89-R96 IonicContact OE1-NH2 2.66Å; E89-R96 PolarHBondContact OE1-NH2 2.96Å; E89-R96 VanDerWaalsContact OE2-CG 3.3Å; E89-R96 WeakPolarHBondContact OE2-CG 3.46Å; E89-R96 IonicContact OE2-CZ 3.55Å; E89-R96 IonicContact OE2-NE 3.97Å; E89-R96 PolarHBondContact OE2-NE 3.49Å; E89-R96 IonicContact OE2-NH2 2.93Å; E89-R96 PolarHBondContact OE2-NH2 3.49Å; I94-R96 PolarHBondContact O-N 3.27Å; R96-L98 PolarHBondContact O-N 2.98Å; R96-L99 PolarHBondContact O-N 3.34Å |
| 97 | N | 93.2 | Very high | 93.5 | Very high | 124 Ų | 124 | 54.4 Ų | 54.4 | 66% | 0.663 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -67.7 | -19.5 | -179 | 62.4 | -55.4 | 0 | 0 | 0 | 113.2 | P95 | P95-N97 WeakPolarHBondContact CB-OD1 3.22Å; P95-N97 PolarHBondContact O-N 3.24Å |
| 98 | L | 92.8 | Very high | 93 | Very high | 68 Ų | 68 | 54 Ų | 54 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -93.6 | -9.1 | 176.7 | -58.8 | -177.8 | 0 | 0 | 0 | 113.1 | I94 P95 R96 T117 K120 | I94-L98 HydrophobicContact CG2-CB 4.4Å; P95-L98 HydrophobicContact CB-CG 4.46Å; P95-L98 HydrophobicContact CG-CD1 4.33Å; P95-L98 WeakPolarHBondContact O-CB 3.23Å; P95-L98 PolarHBondContact O-N 3.48Å; R96-L98 PolarHBondContact O-N 2.98Å; L98-T117 PolarHBondContact O-OG1 3.21Å; L98-K120 HydrophobicContact CD1-CD 4.47Å; L98-K120 HydrophobicContact CD1-CG 4.05Å |
| 99 | L | 95.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -80.7 | 137 | 179.7 | -60.2 | 174.4 | 0 | 0 | 0 | 110.8 | T85 C88 E89 I94 R96 K113 T117 | T85-L99 HydrophobicContact CG2-CB 4.46Å; T85-L99 WeakPolarHBondContact O-CD1 3.37Å; C88-L99 HydrophobicContact CB-CD2 3.74Å; E89-L99 HydrophobicContact CB-CD1 4.06Å; I94-L99 HydrophobicContact CB-CD2 4.11Å; I94-L99 HydrophobicContact CG2-CD2 3.62Å; I94-L99 HydrophobicContact CG2-CG 4.31Å; R96-L99 PolarHBondContact O-N 3.34Å; L99-K113 WeakPolarHBondContact O-CE 3.39Å; L99-K113 PolarHBondContact O-NZ 3.46Å; L99-T117 HydrophobicContact CD2-CG2 3.79Å |
| 100 | F | 95 | Very high | 91.8 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 161.4 | 169.8 | 67.4 | -101.1 | 0 | 0 | 0 | 111.6 | L46 L81 F84 T85 D104 I105 K113 A114 T117 | L46-F100 HydrophobicContact CD1-CE1 4.45Å; L46-F100 HydrophobicContact CD1-CZ 3.94Å; L81-F100 HydrophobicContact CB-CE2 4.43Å; L81-F100 HydrophobicContact CD2-CE2 4.09Å; L81-F100 HydrophobicContact CD2-CZ 4.25Å; F84-F100 AromaticContact CD1-CE1 3.74Å; F84-F100 HydrophobicContact CD1-CE1 3.74Å; F84-F100 AromaticContact CD1-CZ 3.54Å; F84-F100 HydrophobicContact CD1-CZ 3.54Å; F84-F100 AromaticContact CE1-CE1 3.51Å; F84-F100 HydrophobicContact CE1-CE1 3.51Å; F84-F100 AromaticContact CE1-CZ 3.84Å; F84-F100 HydrophobicContact CE1-CZ 3.84Å; T85-F100 HydrophobicContact CG2-CD2 4.14Å; T85-F100 HydrophobicContact CG2-CE1 4.27Å; T85-F100 HydrophobicContact CG2-CE2 3.81Å; T85-F100 HydrophobicContact CG2-CG 4.48Å; T85-F100 HydrophobicContact CG2-CZ 3.89Å; F100-D104 HydrophobicContact CB-CB 4.19Å; F100-I105 HydrophobicContact CD1-CD1 4.07Å; F100-I105 HydrophobicContact CD2-CD1 3.84Å; F100-I105 HydrophobicContact CD2-CG1 3.94Å; F100-I105 HydrophobicContact CE1-CD1 3.64Å; F100-I105 HydrophobicContact CE2-CD1 3.44Å; F100-I105 VanDerWaalsContact CE2-CD1 3.44Å; F100-I105 HydrophobicContact CE2-CG1 3.96Å; F100-I105 HydrophobicContact CG-CD1 4.16Å; F100-I105 HydrophobicContact CG-CG1 4.32Å; F100-I105 HydrophobicContact CZ-CD1 3.32Å; F100-I105 HydrophobicContact CZ-CG1 4.31Å; F100-K113 HydrophobicContact CB-CB 4.44Å; F100-K113 HydrophobicContact CB-CD 4.4Å; F100-K113 HydrophobicContact CB-CG 4.24Å; F100-A114 HydrophobicContact CB-CB 4.44Å; F100-A114 HydrophobicContact CD1-CB 3.91Å; F100-A114 HydrophobicContact CE1-CB 4.41Å; F100-A114 HydrophobicContact CG-CB 4.23Å; F100-T117 HydrophobicContact CD1-CG2 4.08Å; F100-T117 HydrophobicContact CE1-CG2 4.36Å; F100-T117 PolarHBondContact N-OG1 3.33Å |
| 101 | Q | 93.5 | Very high | 91.5 | Very high | 119 Ų | 119 | 50.3 Ų | 50.3 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -95.9 | 147.8 | 168.5 | -65.5 | -63.9 | -41.4 | 0 | 0 | 109.3 | G103 D104 | Q101-G103 PolarHBondContact O-N 3.36Å; Q101-D104 PolarHBondContact N-OD2 3.05Å; Q101-D104 WeakPolarHBondContact O-CB 3.37Å; Q101-D104 PolarHBondContact O-N 3.17Å |
| 102 | P | 92.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -49.8 | -37.5 | -177.5 | -30 | 34.2 | 0 | 0 | 0 | 114.6 | F78 L81 R82 D104 I105 Y106 | F78-P102 HydrophobicContact CB-CB 4.45Å; F78-P102 HydrophobicContact CD1-CB 3.57Å; F78-P102 HydrophobicContact CD1-CG 4.31Å; F78-P102 HydrophobicContact CE1-CB 3.86Å; F78-P102 HydrophobicContact CG-CB 3.96Å; F78-P102 HydrophobicContact CZ-CB 4.48Å; L81-P102 HydrophobicContact CB-CB 3.89Å; L81-P102 HydrophobicContact CB-CG 4.2Å; L81-P102 HydrophobicContact CD1-CB 4.09Å; L81-P102 WeakPolarHBondContact CD1-O 3.32Å; R82-P102 HydrophobicContact CG-CG 3.52Å; P102-D104 VanDerWaalsContact C-N 3.26Å; P102-D104 PolarHBondContact O-N 3.3Å; P102-I105 PolarHBondContact O-N 3.02Å; P102-Y106 WeakPolarHBondContact O-CB 3.42Å; P102-Y106 PolarHBondContact O-N 3.19Å |
| 103 | G | 88.9 | Confident | 91.2 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 19% | 0.186 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.7 | -19.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q101 I105 H107 | Q101-G103 PolarHBondContact O-N 3.36Å; G103-I105 VanDerWaalsContact C-N 3.34Å; G103-H107 WeakPolarHBondContact O-CB 3.46Å; G103-H107 PolarHBondContact O-N 3.45Å |
| 104 | D | 91.7 | Very high | 91.1 | Very high | 25 Ų | 25 | 44 Ų | 44 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.7 | -37.3 | 177.9 | -65 | -25.4 | 0 | 0 | 0 | 111 | F100 Q101 P102 K109 N110 | F100-D104 HydrophobicContact CB-CB 4.19Å; Q101-D104 PolarHBondContact N-OD2 3.05Å; Q101-D104 WeakPolarHBondContact O-CB 3.37Å; Q101-D104 PolarHBondContact O-N 3.17Å; P102-D104 VanDerWaalsContact C-N 3.26Å; P102-D104 PolarHBondContact O-N 3.3Å; D104-K109 PolarHBondContact O-N 2.75Å; D104-K109 VanDerWaalsContact O-N 3.17Å; D104-N110 HydrophobicContact CB-CB 4.02Å; D104-N110 PolarHBondContact O-N 2.73Å |
| 105 | I | 91 | Very high | 91 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -91.9 | -52.6 | 176.1 | -54.5 | -172.8 | 0 | 0 | 0 | 110.7 | L40 L46 L81 F100 P102 G103 H107 A108 A114 | L40-I105 HydrophobicContact CB-CG2 4.3Å; L46-I105 HydrophobicContact CD1-CD1 3.76Å; L81-I105 HydrophobicContact CD1-CB 4.46Å; L81-I105 HydrophobicContact CD2-CB 4.48Å; L81-I105 HydrophobicContact CD2-CD1 4.13Å; F100-I105 HydrophobicContact CD1-CD1 4.07Å; F100-I105 HydrophobicContact CD2-CD1 3.84Å; F100-I105 HydrophobicContact CD2-CG1 3.94Å; F100-I105 HydrophobicContact CE1-CD1 3.64Å; F100-I105 HydrophobicContact CE2-CD1 3.44Å; F100-I105 VanDerWaalsContact CE2-CD1 3.44Å; F100-I105 HydrophobicContact CE2-CG1 3.96Å; F100-I105 HydrophobicContact CG-CD1 4.16Å; F100-I105 HydrophobicContact CG-CG1 4.32Å; F100-I105 HydrophobicContact CZ-CD1 3.32Å; F100-I105 HydrophobicContact CZ-CG1 4.31Å; P102-I105 PolarHBondContact O-N 3.02Å; G103-I105 VanDerWaalsContact C-N 3.34Å; I105-H107 VanDerWaalsContact C-N 3.27Å; I105-H107 PolarHBondContact O-N 3.48Å; I105-A108 PolarHBondContact O-N 3.04Å; I105-A114 HydrophobicContact CD1-CB 3.57Å; I105-A114 HydrophobicContact CG1-CB 3.6Å |
| 106 | Y | 88.5 | Confident | 90.9 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.5 | -38.1 | -171.5 | -175.1 | -89.8 | 0 | 0 | 0 | 113.1 | M41 Q74 C77 F78 P102 | M41-Y106 HydrophobicContact CG-CD2 4.03Å; M41-Y106 HydrophobicContact CG-CG 4.44Å; M41-Y106 VanDerWaalsContact SD-O 3.42Å; Q74-Y106 HydrophobicContact CB-CE1 4.41Å; Q74-Y106 WeakPolarHBondContact CB-OH 3.18Å; Q74-Y106 HydrophobicContact CG-CE1 3.75Å; Q74-Y106 HydrophobicContact CG-CE2 4.47Å; C77-Y106 HydrophobicContact CB-CD2 3.62Å; C77-Y106 HydrophobicContact CB-CE2 3.55Å; F78-Y106 HydrophobicContact CD2-CD1 4.32Å; F78-Y106 HydrophobicContact CD2-CD2 4.25Å; F78-Y106 HydrophobicContact CD2-CG 4.02Å; F78-Y106 AromaticContact CE2-CD1 3.49Å; F78-Y106 HydrophobicContact CE2-CD1 3.49Å; F78-Y106 VanDerWaalsContact CE2-CD1 3.49Å; F78-Y106 HydrophobicContact CE2-CD2 4.17Å; F78-Y106 HydrophobicContact CE2-CE1 4.13Å; F78-Y106 AromaticContact CE2-CG 3.5Å; F78-Y106 HydrophobicContact CE2-CG 3.5Å; F78-Y106 VanDerWaalsContact CE2-CG 3.5Å; F78-Y106 HydrophobicContact CZ-CD1 4.37Å; P102-Y106 WeakPolarHBondContact O-CB 3.42Å; P102-Y106 PolarHBondContact O-N 3.19Å |
| 107 | H | 85.5 | Confident | 91 | Very high | 58 Ų | 58 | 34.1 Ų | 34.1 | 27% | 0.269 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 5.5 | 176.4 | -54.1 | 121.3 | 0 | 0 | 0 | 113.3 | F78 G103 I105 K109 E153 | F78-H107 AromaticContact CZ-CE1 3.75Å; G103-H107 WeakPolarHBondContact O-CB 3.46Å; G103-H107 PolarHBondContact O-N 3.45Å; I105-H107 VanDerWaalsContact C-N 3.27Å; I105-H107 PolarHBondContact O-N 3.48Å; H107-K109 HydrophobicContact CB-CD 3.85Å; H107-K109 HydrophobicContact CB-CG 3.84Å; H107-K109 PolarHBondContact O-N 3.05Å; H107-E153 WeakPolarHBondContact O-CB 3.5Å; H107-E153 WeakPolarHBondContact O-CG 3.26Å |
| 108 | A | 85.7 | Confident | 91.2 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 52.6 | 35.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V37 I105 L152 E153 | V37-A108 HydrophobicContact CG1-CB 3.92Å; I105-A108 PolarHBondContact O-N 3.04Å; A108-L152 HydrophobicContact CB-CB 3.98Å; A108-E153 PolarHBondContact O-N 2.76Å |
| 109 | K | 82.9 | Confident | 91.3 | Very high | 84 Ų | 84 | 25.6 Ų | 25.6 | 37% | 0.365 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -89 | -29.5 | -172.7 | -79.3 | 179.6 | 175.1 | 170.5 | 0 | 115 | D104 H107 N150 E153 | D104-K109 PolarHBondContact O-N 2.75Å; D104-K109 VanDerWaalsContact O-N 3.17Å; H107-K109 HydrophobicContact CB-CD 3.85Å; H107-K109 HydrophobicContact CB-CG 3.84Å; H107-K109 PolarHBondContact O-N 3.05Å; K109-N150 WeakPolarHBondContact O-CA 3.47Å; K109-E153 WeakPolarHBondContact CE-OE1 3.48Å; K109-E153 WeakPolarHBondContact CE-OE2 3.41Å; K109-E153 IonicContact NZ-OE1 2.9Å; K109-E153 PolarHBondContact NZ-OE1 3.46Å; K109-E153 IonicContact NZ-OE2 4Å |
| 110 | N | 85.7 | Confident | 91.2 | Very high | 52 Ų | 52 | 30.2 Ų | 30.2 | 28% | 0.278 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -149.8 | 55.5 | -176.5 | -170.4 | -2 | 0 | 0 | 0 | 109.4 | D104 G112 K113 | D104-N110 HydrophobicContact CB-CB 4.02Å; D104-N110 PolarHBondContact O-N 2.73Å; N110-G112 PolarHBondContact O-N 3.47Å; N110-K113 WeakPolarHBondContact O-CB 3.28Å; N110-K113 PolarHBondContact O-N 3.28Å; N110-K113 VanDerWaalsContact O-N 3.12Å |
| 111 | F | 90.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -26.1 | -172.8 | -172.8 | -119.1 | 0 | 0 | 0 | 112.6 | L36 V37 L40 K113 A114 I115 Y149 L152 | L36-F111 HydrophobicContact CB-CE1 4.48Å; L36-F111 HydrophobicContact CB-CZ 4.31Å; L36-F111 HydrophobicContact CD2-CE1 4.01Å; L36-F111 HydrophobicContact CD2-CZ 3.82Å; L36-F111 HydrophobicContact CG-CE1 4.33Å; L36-F111 HydrophobicContact CG-CZ 3.85Å; V37-F111 HydrophobicContact CG2-CB 4.21Å; V37-F111 HydrophobicContact CG2-CD1 3.79Å; V37-F111 HydrophobicContact CG2-CD2 3.52Å; V37-F111 HydrophobicContact CG2-CE1 3.98Å; V37-F111 HydrophobicContact CG2-CE2 3.73Å; V37-F111 HydrophobicContact CG2-CG 3.55Å; V37-F111 HydrophobicContact CG2-CZ 3.96Å; L40-F111 HydrophobicContact CD1-CE2 4.2Å; L40-F111 HydrophobicContact CD1-CZ 4.17Å; F111-K113 PolarHBondContact O-N 3.23Å; F111-A114 HydrophobicContact CD2-CB 4.05Å; F111-A114 HydrophobicContact CE2-CB 4.2Å; F111-A114 WeakPolarHBondContact O-CA 3.43Å; F111-A114 VanDerWaalsContact O-CB 3.31Å; F111-A114 WeakPolarHBondContact O-CB 3.49Å; F111-A114 PolarHBondContact O-N 3.29Å; F111-I115 HydrophobicContact CD1-CD1 3.85Å; F111-I115 HydrophobicContact CD1-CG1 4.12Å; F111-I115 HydrophobicContact CE1-CD1 3.79Å; F111-I115 HydrophobicContact CE1-CG1 3.86Å; F111-I115 HydrophobicContact CZ-CG1 4.3Å; F111-I115 PolarHBondContact O-N 3.33Å; F111-Y149 HydrophobicContact CB-CD1 4.49Å; F111-Y149 HydrophobicContact CD1-CD1 4.1Å; F111-Y149 HydrophobicContact CD1-CE1 4.42Å; F111-Y149 PolarHBondContact N-O 3.37Å; F111-L152 HydrophobicContact CB-CD1 3.86Å; F111-L152 HydrophobicContact CD1-CD1 4.1Å; F111-L152 HydrophobicContact CG-CD1 4.27Å |
| 112 | G | 90.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.3 | -36.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N110 A114 I115 A116 S144 | N110-G112 PolarHBondContact O-N 3.47Å; G112-A114 VanDerWaalsContact C-N 3.3Å; G112-A114 PolarHBondContact O-N 3.29Å; G112-I115 PolarHBondContact O-N 3.04Å; G112-A116 PolarHBondContact O-N 3.12Å; G112-S144 VanDerWaalsContact CA-O 3.26Å; G112-S144 WeakPolarHBondContact CA-O 3.44Å; G112-S144 WeakPolarHBondContact O-CB 3.45Å |
| 113 | K | 91.8 | Very high | 91.5 | Very high | 62 Ų | 62 | 27.2 Ų | 27.2 | 27% | 0.27 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.2 | -36.8 | 174.2 | -163 | 177.6 | -173.9 | -153.8 | 0 | 112.3 | L99 F100 N110 F111 A116 T117 | L99-K113 WeakPolarHBondContact O-CE 3.39Å; L99-K113 PolarHBondContact O-NZ 3.46Å; F100-K113 HydrophobicContact CB-CB 4.44Å; F100-K113 HydrophobicContact CB-CD 4.4Å; F100-K113 HydrophobicContact CB-CG 4.24Å; N110-K113 WeakPolarHBondContact O-CB 3.28Å; N110-K113 PolarHBondContact O-N 3.28Å; N110-K113 VanDerWaalsContact O-N 3.12Å; F111-K113 PolarHBondContact O-N 3.23Å; K113-A116 PolarHBondContact O-N 3.27Å; K113-T117 PolarHBondContact O-N 3.07Å; K113-T117 PolarHBondContact O-OG1 3.19Å |
| 114 | A | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.1 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F100 I105 F111 G112 A116 T117 L118 | F100-A114 HydrophobicContact CB-CB 4.44Å; F100-A114 HydrophobicContact CD1-CB 3.91Å; F100-A114 HydrophobicContact CE1-CB 4.41Å; F100-A114 HydrophobicContact CG-CB 4.23Å; I105-A114 HydrophobicContact CD1-CB 3.57Å; I105-A114 HydrophobicContact CG1-CB 3.6Å; F111-A114 HydrophobicContact CD2-CB 4.05Å; F111-A114 HydrophobicContact CE2-CB 4.2Å; F111-A114 WeakPolarHBondContact O-CA 3.43Å; F111-A114 VanDerWaalsContact O-CB 3.31Å; F111-A114 WeakPolarHBondContact O-CB 3.49Å; F111-A114 PolarHBondContact O-N 3.29Å; G112-A114 VanDerWaalsContact C-N 3.3Å; G112-A114 PolarHBondContact O-N 3.29Å; A114-A116 VanDerWaalsContact C-N 3.31Å; A114-A116 PolarHBondContact O-N 3.43Å; A114-T117 WeakPolarHBondContact O-CB 3.5Å; A114-T117 PolarHBondContact O-N 2.65Å; A114-L118 WeakPolarHBondContact O-CG 3.45Å; A114-L118 PolarHBondContact O-N 3.39Å |
| 115 | I | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.9 | -44 | 173.2 | -62.4 | 172.8 | 0 | 0 | 0 | 110.5 | D6 W7 C10 F111 G112 T117 L118 S119 F135 L142 Y149 | D6-I115 HydrophobicContact CB-CG2 4.03Å; W7-I115 HydrophobicContact CB-CD1 3.81Å; C10-I115 HydrophobicContact CB-CG2 4.36Å; F111-I115 HydrophobicContact CD1-CD1 3.85Å; F111-I115 HydrophobicContact CD1-CG1 4.12Å; F111-I115 HydrophobicContact CE1-CD1 3.79Å; F111-I115 HydrophobicContact CE1-CG1 3.86Å; F111-I115 HydrophobicContact CZ-CG1 4.3Å; F111-I115 PolarHBondContact O-N 3.33Å; G112-I115 PolarHBondContact O-N 3.04Å; I115-T117 PolarHBondContact O-N 2.94Å; I115-L118 PolarHBondContact O-N 2.95Å; I115-S119 WeakPolarHBondContact O-CB 3.48Å; I115-S119 PolarHBondContact O-N 3.32Å; I115-F135 HydrophobicContact CG2-CE2 4Å; I115-L142 HydrophobicContact CG2-CD1 3.98Å; I115-L142 HydrophobicContact CG2-CD2 4.43Å; I115-Y149 HydrophobicContact CD1-CD1 4.1Å; I115-Y149 HydrophobicContact CD1-CE1 3.51Å; I115-Y149 HydrophobicContact CD1-CE2 4.28Å |
| 116 | A | 93.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 25% | 0.248 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G112 K113 A114 K120 L142 | G112-A116 PolarHBondContact O-N 3.12Å; K113-A116 PolarHBondContact O-N 3.27Å; A114-A116 VanDerWaalsContact C-N 3.31Å; A114-A116 PolarHBondContact O-N 3.43Å; A116-K120 PolarHBondContact O-N 2.9Å; A116-L142 HydrophobicContact CB-CD2 4.09Å |
| 117 | T | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 173.4 | -56 | 0 | 0 | 0 | 0 | 111.2 | F84 L98 L99 F100 K113 A114 I115 K120 L121 | F84-T117 HydrophobicContact CE1-CG2 4.43Å; L98-T117 PolarHBondContact O-OG1 3.21Å; L99-T117 HydrophobicContact CD2-CG2 3.79Å; F100-T117 HydrophobicContact CD1-CG2 4.08Å; F100-T117 HydrophobicContact CE1-CG2 4.36Å; F100-T117 PolarHBondContact N-OG1 3.33Å; K113-T117 PolarHBondContact O-N 3.07Å; K113-T117 PolarHBondContact O-OG1 3.19Å; A114-T117 WeakPolarHBondContact O-CB 3.5Å; A114-T117 PolarHBondContact O-N 2.65Å; I115-T117 PolarHBondContact O-N 2.94Å; T117-K120 PolarHBondContact O-N 3.15Å; T117-L121 WeakPolarHBondContact O-CB 3.44Å; T117-L121 PolarHBondContact O-N 3.31Å |
| 118 | L | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | -179.7 | -70.8 | 172.9 | 0 | 0 | 0 | 112.5 | C10 W13 L40 L46 L49 F84 A114 I115 K120 L121 S122 F135 | C10-L118 VanDerWaalsContact SG-CD1 3.55Å; W13-L118 HydrophobicContact CZ3-CB 4.25Å; W13-L118 HydrophobicContact CZ3-CD2 4.19Å; L40-L118 HydrophobicContact CD1-CD1 4.14Å; L46-L118 HydrophobicContact CD2-CD1 4.2Å; L46-L118 HydrophobicContact CD2-CD2 3.74Å; L46-L118 HydrophobicContact CD2-CG 4.47Å; L49-L118 HydrophobicContact CD2-CD2 3.76Å; F84-L118 HydrophobicContact CZ-CD2 3.94Å; A114-L118 WeakPolarHBondContact O-CG 3.45Å; A114-L118 PolarHBondContact O-N 3.39Å; I115-L118 PolarHBondContact O-N 2.95Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 2.83Å; L118-L121 HydrophobicContact CD2-CD2 4.3Å; L118-L121 WeakPolarHBondContact O-CB 3.31Å; L118-L121 PolarHBondContact O-N 3.21Å; L118-S122 WeakPolarHBondContact O-CB 3.27Å; L118-S122 PolarHBondContact O-N 2.83Å; L118-F135 HydrophobicContact CB-CE1 4.07Å; L118-F135 HydrophobicContact CB-CZ 3.78Å |
| 119 | S | 95.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 172.6 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | I115 L121 S122 Y123 F135 P136 | I115-S119 WeakPolarHBondContact O-CB 3.48Å; I115-S119 PolarHBondContact O-N 3.32Å; S119-L121 VanDerWaalsContact C-N 3.34Å; S119-L121 PolarHBondContact O-N 3.15Å; S119-S122 WeakPolarHBondContact O-CB 3.3Å; S119-S122 PolarHBondContact O-N 3.31Å; S119-S122 PolarHBondContact O-OG 2.84Å; S119-Y123 WeakPolarHBondContact O-CD2 3.44Å; S119-Y123 PolarHBondContact O-N 3.32Å; S119-F135 WeakPolarHBondContact CA-O 3.22Å; S119-F135 VanDerWaalsContact CB-O 3.31Å; S119-F135 WeakPolarHBondContact CB-O 3.44Å; S119-F135 VanDerWaalsContact N-CZ 3.29Å; S119-F135 PolarHBondContact OG-O 2.77Å; S119-P136 WeakPolarHBondContact OG-CD 3.47Å |
| 120 | K | 95.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 42.5 Ų | 42.5 | 47% | 0.465 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 177.7 | -170.3 | 58.8 | 177.9 | 172.4 | 0 | 112.7 | I94 L98 A116 T117 L118 S122 Y123 S124 | I94-K120 HydrophobicContact CG2-CG 4.45Å; L98-K120 HydrophobicContact CD1-CD 4.47Å; L98-K120 HydrophobicContact CD1-CG 4.05Å; A116-K120 PolarHBondContact O-N 2.9Å; T117-K120 PolarHBondContact O-N 3.15Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 2.83Å; K120-S122 VanDerWaalsContact C-N 3.33Å; K120-Y123 PolarHBondContact O-N 2.93Å; K120-S124 PolarHBondContact O-N 2.87Å |
| 121 | L | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 174.7 | 177.7 | 62.7 | 0 | 0 | 0 | 111.7 | W13 L49 L50 L53 F84 F92 I94 T117 L118 S119 Y123 S124 A127 | W13-L121 HydrophobicContact CH2-CD2 4.42Å; W13-L121 HydrophobicContact CH2-CG 4.43Å; L49-L121 HydrophobicContact CD2-CD2 3.9Å; L50-L121 HydrophobicContact CD2-CD1 4.1Å; L50-L121 HydrophobicContact CD2-CD2 3.77Å; L53-L121 HydrophobicContact CD1-CD1 4.1Å; L53-L121 HydrophobicContact CD1-CD2 3.87Å; L53-L121 HydrophobicContact CD1-CG 3.73Å; F84-L121 HydrophobicContact CE2-CD2 4.1Å; F84-L121 HydrophobicContact CZ-CD2 3.86Å; F92-L121 HydrophobicContact CB-CD1 3.87Å; F92-L121 HydrophobicContact CD1-CD1 3.59Å; F92-L121 HydrophobicContact CD2-CD1 4.26Å; F92-L121 HydrophobicContact CE1-CD1 4.17Å; F92-L121 HydrophobicContact CG-CD1 3.64Å; I94-L121 HydrophobicContact CD1-CB 3.57Å; I94-L121 HydrophobicContact CD1-CD1 3.7Å; I94-L121 HydrophobicContact CD1-CG 4.2Å; T117-L121 WeakPolarHBondContact O-CB 3.44Å; T117-L121 PolarHBondContact O-N 3.31Å; L118-L121 HydrophobicContact CD2-CD2 4.3Å; L118-L121 WeakPolarHBondContact O-CB 3.31Å; L118-L121 PolarHBondContact O-N 3.21Å; S119-L121 VanDerWaalsContact C-N 3.34Å; S119-L121 PolarHBondContact O-N 3.15Å; L121-Y123 PolarHBondContact O-N 3.37Å; L121-S124 WeakPolarHBondContact O-CB 3.47Å; L121-S124 PolarHBondContact O-N 2.84Å; L121-S124 PolarHBondContact O-OG 3.41Å; L121-A127 VanDerWaalsContact O-CB 3.23Å; L121-A127 WeakPolarHBondContact O-CB 3.37Å |
| 122 | S | 95.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -25.2 | 178.4 | 83.6 | 0 | 0 | 0 | 0 | 113.6 | W13 L118 S119 K120 G134 F135 | W13-S122 VanDerWaalsContact CZ2-CA 3.49Å; L118-S122 WeakPolarHBondContact O-CB 3.27Å; L118-S122 PolarHBondContact O-N 2.83Å; S119-S122 WeakPolarHBondContact O-CB 3.3Å; S119-S122 PolarHBondContact O-N 3.31Å; S119-S122 PolarHBondContact O-OG 2.84Å; K120-S122 VanDerWaalsContact C-N 3.33Å; S122-G134 WeakPolarHBondContact OG-CA 3.36Å; S122-F135 PolarHBondContact OG-N 2.94Å; S122-F135 PolarHBondContact OG-O 3.16Å |
| 123 | Y | 94.8 | Very high | 93.5 | Very high | 65 Ų | 65 | 48.8 Ų | 48.8 | 26% | 0.255 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 8.7 | 175.2 | -72.3 | -67.7 | 0 | 0 | 0 | 114 | S119 K120 L121 F135 P136 | S119-Y123 WeakPolarHBondContact O-CD2 3.44Å; S119-Y123 PolarHBondContact O-N 3.32Å; K120-Y123 PolarHBondContact O-N 2.93Å; L121-Y123 PolarHBondContact O-N 3.37Å; Y123-F135 VanDerWaalsContact CE2-O 3.31Å; Y123-F135 WeakPolarHBondContact CE2-O 3.5Å; Y123-P136 PolarHBondContact OH-O 2.8Å |
| 124 | S | 95.2 | Very high | 93.5 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -67 | 151.5 | 173.1 | 69.2 | 0 | 0 | 0 | 0 | 110.4 | K120 L121 R126 A127 Q128 | K120-S124 PolarHBondContact O-N 2.87Å; L121-S124 WeakPolarHBondContact O-CB 3.47Å; L121-S124 PolarHBondContact O-N 2.84Å; L121-S124 PolarHBondContact O-OG 3.41Å; S124-R126 VanDerWaalsContact C-N 3.28Å; S124-R126 PolarHBondContact O-N 2.93Å; S124-A127 PolarHBondContact O-N 3.11Å; S124-A127 VanDerWaalsContact O-N 3.15Å; S124-A127 WeakPolarHBondContact OG-CB 3.48Å; S124-A127 PolarHBondContact OG-N 2.93Å; S124-Q128 WeakPolarHBondContact O-CG 3.42Å; S124-Q128 PolarHBondContact O-N 3.38Å |
| 125 | R | 93.4 | Very high | 93.5 | Very high | 205 Ų | 205 | 46.7 Ų | 46.7 | 77% | 0.774 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -55.1 | -44.4 | 179.9 | -177.9 | -178.7 | 179.2 | -172.5 | -0.3 | 111.8 | Q128 L129 | R125-Q128 PolarHBondContact O-N 2.86Å; R125-L129 WeakPolarHBondContact O-CG 3.41Å; R125-L129 PolarHBondContact O-N 3.12Å |
| 126 | R | 91.3 | Very high | 93.3 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 177.9 | -87.5 | -173.7 | 155.3 | 148.7 | -13.9 | 111.9 | L53 E57 E91 F92 S124 Q128 L129 | L53-R126 CarbonylContact O-C 3.53Å; E57-R126 IonicContact OE2-CZ 3.69Å; E57-R126 IonicContact OE2-NE 2.73Å; E57-R126 IonicContact OE2-NH2 3.36Å; E57-R126 PolarHBondContact OE2-NH2 3.46Å; E91-R126 WeakPolarHBondContact O-CD 3.4Å; E91-R126 PolarHBondContact O-NH1 2.73Å; E91-R126 IonicContact OE2-NH1 2.74Å; E91-R126 PolarHBondContact OE2-NH1 3.03Å; E91-R126 VanDerWaalsContact OE2-NH1 3.14Å; F92-R126 HydrophobicContact CD1-CB 3.79Å; F92-R126 HydrophobicContact CE1-CB 3.65Å; S124-R126 VanDerWaalsContact C-N 3.28Å; S124-R126 PolarHBondContact O-N 2.93Å; R126-Q128 VanDerWaalsContact C-N 3.32Å; R126-Q128 PolarHBondContact O-N 2.85Å; R126-L129 WeakPolarHBondContact O-CB 3.13Å; R126-L129 PolarHBondContact O-N 3.26Å; R126-L129 VanDerWaalsContact O-N 3.12Å |
| 127 | A | 92.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L53 L121 S124 L129 T130 | L53-A127 HydrophobicContact CD1-CB 4.22Å; L53-A127 HydrophobicContact CD2-CB 3.92Å; L53-A127 HydrophobicContact CG-CB 4.45Å; L121-A127 VanDerWaalsContact O-CB 3.23Å; L121-A127 WeakPolarHBondContact O-CB 3.37Å; S124-A127 PolarHBondContact O-N 3.11Å; S124-A127 VanDerWaalsContact O-N 3.15Å; S124-A127 WeakPolarHBondContact OG-CB 3.48Å; S124-A127 PolarHBondContact OG-N 2.93Å; A127-L129 VanDerWaalsContact C-N 3.25Å; A127-L129 PolarHBondContact O-N 3.4Å; A127-T130 WeakPolarHBondContact O-CB 3.05Å; A127-T130 PolarHBondContact O-N 3.33Å; A127-T130 VanDerWaalsContact O-N 3.09Å; A127-T130 PolarHBondContact O-OG1 2.9Å |
| 128 | Q | 92.2 | Very high | 91.8 | Very high | 109 Ų | 109 | 57.7 Ų | 57.7 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -29.4 | 178 | -70.6 | -179.7 | -35 | 0 | 0 | 113.4 | S124 R125 R126 T130 G131 | S124-Q128 WeakPolarHBondContact O-CG 3.42Å; S124-Q128 PolarHBondContact O-N 3.38Å; R125-Q128 PolarHBondContact O-N 2.86Å; R126-Q128 VanDerWaalsContact C-N 3.32Å; R126-Q128 PolarHBondContact O-N 2.85Å; Q128-T130 PolarHBondContact O-N 2.87Å; Q128-G131 PolarHBondContact O-N 2.99Å; Q128-G131 VanDerWaalsContact O-N 3.12Å |
| 129 | L | 91.7 | Very high | 90.7 | Very high | 122 Ų | 122 | 65.8 Ų | 65.8 | 64% | 0.639 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.8 | -19.1 | 176.3 | -68.5 | 172.6 | 0 | 0 | 0 | 113.2 | R125 R126 A127 G131 | R125-L129 WeakPolarHBondContact O-CG 3.41Å; R125-L129 PolarHBondContact O-N 3.12Å; R126-L129 WeakPolarHBondContact O-CB 3.13Å; R126-L129 PolarHBondContact O-N 3.26Å; R126-L129 VanDerWaalsContact O-N 3.12Å; A127-L129 VanDerWaalsContact C-N 3.25Å; A127-L129 PolarHBondContact O-N 3.4Å; L129-G131 PolarHBondContact O-N 3.41Å |
| 130 | T | 90.3 | Very high | 90 | Very high | 35 Ų | 35 | 67.3 Ų | 67.3 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.8 | 173.3 | 70 | 0 | 0 | 0 | 0 | 112.8 | L53 A127 Q128 I132 | L53-T130 HydrophobicContact CD2-CG2 4.41Å; A127-T130 WeakPolarHBondContact O-CB 3.05Å; A127-T130 PolarHBondContact O-N 3.33Å; A127-T130 VanDerWaalsContact O-N 3.09Å; A127-T130 PolarHBondContact O-OG1 2.9Å; Q128-T130 PolarHBondContact O-N 2.87Å; T130-I132 PolarHBondContact O-N 2.76Å; T130-I132 WeakPolarHBondContact OG1-CB 3.4Å; T130-I132 WeakPolarHBondContact OG1-CG1 3.25Å; T130-I132 PolarHBondContact OG1-N 3.33Å |
| 131 | G | 90.9 | Very high | 89.2 | Confident | 62 Ų | 62 | 71 Ų | 71 | 64% | 0.639 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 0.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q128 L129 P133 | Q128-G131 PolarHBondContact O-N 2.99Å; Q128-G131 VanDerWaalsContact O-N 3.12Å; L129-G131 PolarHBondContact O-N 3.41Å; G131-P133 WeakPolarHBondContact O-CD 3.38Å |
| 132 | I | 92.1 | Very high | 88.5 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 19% | 0.185 | 38% | 0.38 | C | S | . | . | trans | -76.5 | 120.6 | 177.5 | -57.9 | 169.2 | 0 | 0 | 0 | 109.1 | R16 T130 G134 | R16-I132 HydrophobicContact CB-CG2 4.07Å; T130-I132 PolarHBondContact O-N 2.76Å; T130-I132 WeakPolarHBondContact OG1-CB 3.4Å; T130-I132 WeakPolarHBondContact OG1-CG1 3.25Å; T130-I132 PolarHBondContact OG1-N 3.33Å; I132-G134 PolarHBondContact O-N 3.01Å | ||
| 133 | P | 91.8 | Very high | 87.7 | Confident | 87 Ų | 87 | 78.5 Ų | 78.5 | 57% | 0.565 | 41% | 0.405 | S | S | * | . | trans | -64.5 | 135 | -178.5 | -18.4 | 28.4 | 0 | 0 | 0 | 112.1 | W13 R16 G131 | W13-P133 VanDerWaalsContact CD1-O 3.22Å; R16-P133 PolarHBondContact NH1-O 2.82Å; R16-P133 PolarHBondContact NH2-O 2.96Å; G131-P133 WeakPolarHBondContact O-CD 3.38Å | ||
| 134 | G | 92.1 | Very high | 86.7 | Confident | 14 Ų | 14 | 76.6 Ų | 76.6 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | trans | -69.4 | -178.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S122 I132 | S122-G134 WeakPolarHBondContact OG-CA 3.36Å; I132-G134 PolarHBondContact O-N 3.01Å | ||
| 135 | F | 93.8 | Very high | 85.6 | Confident | 3 Ų | 3 | 82.2 Ų | 82.2 | 1% | 0.013 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -140.4 | 149.6 | 175.3 | 80.8 | -79.4 | 0 | 0 | 0 | 111.9 | Q9 C10 W13 I115 L118 S119 S122 Y123 L142 | Q9-F135 HydrophobicContact CB-CD2 4.23Å; C10-F135 HydrophobicContact CB-CD2 4.31Å; C10-F135 HydrophobicContact CB-CE2 3.57Å; C10-F135 HydrophobicContact CB-CZ 3.71Å; C10-F135 VanDerWaalsContact SG-CZ 3.59Å; W13-F135 HydrophobicContact CB-CB 4.26Å; W13-F135 HydrophobicContact CB-CD1 3.52Å; W13-F135 HydrophobicContact CB-CE1 4.15Å; W13-F135 HydrophobicContact CB-CG 4.06Å; W13-F135 AromaticContact CD2-CD1 3.57Å; W13-F135 HydrophobicContact CD2-CD1 3.57Å; W13-F135 AromaticContact CD2-CE1 3.68Å; W13-F135 HydrophobicContact CD2-CE1 3.68Å; W13-F135 AromaticContact CE3-CD1 3.79Å; W13-F135 HydrophobicContact CE3-CD1 3.79Å; W13-F135 AromaticContact CE3-CE1 3.36Å; W13-F135 HydrophobicContact CE3-CE1 3.36Å; W13-F135 HydrophobicContact CE3-CZ 4.44Å; W13-F135 AromaticContact CG-CD1 3.45Å; W13-F135 HydrophobicContact CG-CD1 3.45Å; W13-F135 VanDerWaalsContact CG-CD1 3.45Å; W13-F135 HydrophobicContact CG-CE1 4.03Å; W13-F135 HydrophobicContact CG-CG 4.37Å; W13-F135 AromaticContact CZ3-CE1 3.95Å; W13-F135 HydrophobicContact CZ3-CE1 3.95Å; I115-F135 HydrophobicContact CG2-CE2 4Å; L118-F135 HydrophobicContact CB-CE1 4.07Å; L118-F135 HydrophobicContact CB-CZ 3.78Å; S119-F135 WeakPolarHBondContact CA-O 3.22Å; S119-F135 VanDerWaalsContact CB-O 3.31Å; S119-F135 WeakPolarHBondContact CB-O 3.44Å; S119-F135 VanDerWaalsContact N-CZ 3.29Å; S119-F135 PolarHBondContact OG-O 2.77Å; S122-F135 PolarHBondContact OG-N 2.94Å; S122-F135 PolarHBondContact OG-O 3.16Å; Y123-F135 VanDerWaalsContact CE2-O 3.31Å; Y123-F135 WeakPolarHBondContact CE2-O 3.5Å; F135-L142 HydrophobicContact CE2-CD1 4.43Å |
| 136 | P | 89.8 | Confident | 84.7 | Confident | 10 Ų | 10 | 77.1 Ų | 77.1 | 7% | 0.065 | 42% | 0.42 | C | S | . | . | S | Bend | cis | -72.2 | 161.2 | -6.5 | 36.4 | -36.7 | 0 | 0 | 0 | 110.2 | S119 Y123 L142 | S119-P136 WeakPolarHBondContact OG-CD 3.47Å; Y123-P136 PolarHBondContact OH-O 2.8Å; P136-L142 HydrophobicContact CG-CB 4.06Å; P136-L142 HydrophobicContact CG-CD1 4.26Å |
| 137 | P | 82.9 | Confident | 83.8 | Confident | 80 Ų | 80 | 80.5 Ų | 80.5 | 52% | 0.519 | 44% | 0.439 | S | S | . | . | trans | -48.7 | 148.2 | 178.4 | -25.7 | 33 | 0 | 0 | 0 | 112.4 | N139 S140 | P137-N139 PolarHBondContact O-N 3.28Å; P137-S140 WeakPolarHBondContact O-CB 3.41Å; P137-S140 PolarHBondContact O-N 2.8Å | ||
| 138 | E | 74.3 | Confident | 83.1 | Confident | 172 Ų | 172 | 84.1 Ų | 84.1 | 80% | 0.804 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -24.7 | -170.5 | -69 | -173.5 | 164.1 | 0 | 0 | 115.2 | ||
| 139 | N | 73.9 | Confident | 82.6 | Confident | 170 Ų | 170 | 79.3 Ų | 79.3 | 91% | 0.909 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.8 | 178.8 | -63.5 | -31.9 | 0 | 0 | 0 | 114.3 | P137 | P137-N139 PolarHBondContact O-N 3.28Š|
| 140 | S | 80.7 | Confident | 81.7 | Confident | 45 Ų | 45 | 77 Ų | 77 | 32% | 0.315 | 42% | 0.419 | S | S | . | . | trans | -117.9 | 149.8 | -175.4 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | P137 | P137-S140 WeakPolarHBondContact O-CB 3.41Å; P137-S140 PolarHBondContact O-N 2.8Å | ||
| 141 | K | 77.4 | Confident | 80.8 | Confident | 185 Ų | 185 | 79.7 Ų | 79.7 | 80% | 0.804 | 43% | 0.432 | S | S | * | . | trans | -108.4 | 126.4 | 178.3 | -70 | -175 | -179.1 | 179.1 | 0 | 109.8 | Q143 | K141-Q143 PolarHBondContact O-N 2.85Š| ||
| 142 | L | 82.5 | Confident | 80 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | trans | -66.9 | 127.1 | 174.8 | -164.6 | 79.3 | 0 | 0 | 0 | 110.5 | D6 I115 A116 F135 P136 | D6-L142 HydrophobicContact CB-CD1 3.79Å; D6-L142 WeakPolarHBondContact OD1-CD1 3.41Å; I115-L142 HydrophobicContact CG2-CD1 3.98Å; I115-L142 HydrophobicContact CG2-CD2 4.43Å; A116-L142 HydrophobicContact CB-CD2 4.09Å; F135-L142 HydrophobicContact CE2-CD1 4.43Å; P136-L142 HydrophobicContact CG-CB 4.06Å; P136-L142 HydrophobicContact CG-CD1 4.26Å | ||
| 143 | Q | 79.3 | Confident | 79 | Confident | 114 Ų | 114 | 79.1 Ų | 79.1 | 53% | 0.533 | 41% | 0.411 | S | S | . | . | trans | -102.1 | 47.5 | 176.3 | -62.4 | -171.1 | 21.6 | 0 | 0 | 112.2 | D6 K141 T145 H146 | D6-Q143 PolarHBondContact OD1-N 3.02Å; D6-Q143 WeakPolarHBondContact OD2-CA 3.22Å; D6-Q143 PolarHBondContact OD2-N 3.05Å; K141-Q143 PolarHBondContact O-N 2.85Å; Q143-T145 PolarHBondContact O-N 2.83Å; Q143-H146 PolarHBondContact O-N 3.29Å | ||
| 144 | S | 72.8 | Confident | 77.9 | Confident | 25 Ų | 25 | 82.1 Ų | 82.1 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12 | -173.8 | 65.4 | 0 | 0 | 0 | 0 | 115.4 | D6 G112 H146 | D6-S144 PolarHBondContact OD2-N 3Å; G112-S144 VanDerWaalsContact CA-O 3.26Å; G112-S144 WeakPolarHBondContact CA-O 3.44Å; G112-S144 WeakPolarHBondContact O-CB 3.45Å; S144-H146 VanDerWaalsContact C-N 3.32Å |
| 145 | T | 71.9 | Confident | 76.7 | Confident | 130 Ų | 130 | 84.8 Ų | 84.8 | 80% | 0.798 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9 | 179.7 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | Q143 | Q143-T145 PolarHBondContact O-N 2.83Š|
| 146 | H | 75 | Confident | 75.2 | Confident | 97 Ų | 97 | 85.7 Ų | 85.7 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | trans | -63.5 | 137 | -178.2 | -165.3 | -92.5 | 0 | 0 | 0 | 112.1 | Q143 S144 Y148 Y149 | Q143-H146 PolarHBondContact O-N 3.29Å; S144-H146 VanDerWaalsContact C-N 3.32Å; H146-Y148 WeakPolarHBondContact ND1-CB 3.49Å; H146-Y148 PolarHBondContact ND1-N 2.86Å; H146-Y148 PolarHBondContact O-N 2.81Å; H146-Y148 VanDerWaalsContact O-N 3.07Å; H146-Y149 HydrophobicContact CB-CD2 4.09Å; H146-Y149 HydrophobicContact CB-CE2 4.14Å; H146-Y149 PolarHBondContact O-N 3.43Å; H146-Y149 VanDerWaalsContact O-N 3.07Å | ||
| 147 | E | 71.9 | Confident | 73.8 | Confident | 149 Ų | 149 | 88.3 Ų | 88.3 | 70% | 0.696 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -58.2 | -26 | -176.4 | -69.1 | -172.6 | 168.4 | 0 | 0 | 113.3 | Y149 N150 | E147-Y149 PolarHBondContact O-N 2.95Å; E147-N150 PolarHBondContact O-N 2.86Å |
| 148 | Y | 78.3 | Confident | 72.4 | Confident | 78 Ų | 78 | 88 Ų | 88 | 31% | 0.306 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -49.2 | -41.5 | 173.6 | 177.6 | -113.6 | 0 | 0 | 0 | 112.6 | A33 H146 N150 L152 | A33-Y148 HydrophobicContact CB-CE1 3.66Å; H146-Y148 WeakPolarHBondContact ND1-CB 3.49Å; H146-Y148 PolarHBondContact ND1-N 2.86Å; H146-Y148 PolarHBondContact O-N 2.81Å; H146-Y148 VanDerWaalsContact O-N 3.07Å; Y148-N150 VanDerWaalsContact C-N 3.3Å; Y148-N150 PolarHBondContact O-N 2.96Å; Y148-L152 HydrophobicContact CE1-CD2 4.12Å; Y148-L152 HydrophobicContact CE2-CD2 4.1Å |
| 149 | Y | 80.5 | Confident | 71.3 | Confident | 8 Ų | 8 | 82.7 Ų | 82.7 | 3% | 0.031 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -76.7 | -14.1 | -177.1 | -60.2 | -58.7 | 0 | 0 | 0 | 114.5 | W7 A33 F111 I115 H146 E147 L152 | W7-Y149 HydrophobicContact CB-CE1 4.04Å; W7-Y149 HydrophobicContact CG-CE1 4.46Å; W7-Y149 PolarHBondContact N-OH 2.78Å; A33-Y149 HydrophobicContact CB-CE1 4.4Å; F111-Y149 HydrophobicContact CB-CD1 4.49Å; F111-Y149 HydrophobicContact CD1-CD1 4.1Å; F111-Y149 HydrophobicContact CD1-CE1 4.42Å; F111-Y149 PolarHBondContact N-O 3.37Å; I115-Y149 HydrophobicContact CD1-CD1 4.1Å; I115-Y149 HydrophobicContact CD1-CE1 3.51Å; I115-Y149 HydrophobicContact CD1-CE2 4.28Å; H146-Y149 HydrophobicContact CB-CD2 4.09Å; H146-Y149 HydrophobicContact CB-CE2 4.14Å; H146-Y149 PolarHBondContact O-N 3.43Å; H146-Y149 VanDerWaalsContact O-N 3.07Å; E147-Y149 PolarHBondContact O-N 2.95Å; Y149-L152 HydrophobicContact CD1-CD1 4.26Å |
| 150 | N | 74.7 | Confident | 69.9 | Low | 74 Ų | 74 | 81.5 Ų | 81.5 | 40% | 0.396 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -87 | -20.9 | -179.7 | -64.7 | -32.6 | 0 | 0 | 0 | 112.6 | K109 E147 Y148 | K109-N150 WeakPolarHBondContact O-CA 3.47Å; E147-N150 PolarHBondContact O-N 2.86Å; Y148-N150 VanDerWaalsContact C-N 3.3Å; Y148-N150 PolarHBondContact O-N 2.96Å |
| 151 | N | 70.4 | Confident | 68.2 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -109.6 | 13.3 | -175.1 | -66.1 | -31.4 | 0 | 0 | 0 | 113.3 | E153 E154 | N151-E153 PolarHBondContact O-N 2.99Å; N151-E154 PolarHBondContact O-N 3.07Å |
| 152 | L | 74.4 | Confident | 66.6 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.4 | -24.3 | 179.4 | -65.4 | -179.9 | 0 | 0 | 0 | 112.6 | A33 I34 V37 A108 F111 Y148 Y149 E154 I155 A156 | A33-L152 HydrophobicContact CB-CD1 3.93Å; A33-L152 HydrophobicContact CB-CD2 4.38Å; I34-L152 HydrophobicContact CG1-CD2 4.18Å; V37-L152 HydrophobicContact CG2-CD1 4.12Å; A108-L152 HydrophobicContact CB-CB 3.98Å; F111-L152 HydrophobicContact CB-CD1 3.86Å; F111-L152 HydrophobicContact CD1-CD1 4.1Å; F111-L152 HydrophobicContact CG-CD1 4.27Å; Y148-L152 HydrophobicContact CE1-CD2 4.12Å; Y148-L152 HydrophobicContact CE2-CD2 4.1Å; Y149-L152 HydrophobicContact CD1-CD1 4.26Å; L152-E154 PolarHBondContact O-N 3.12Å; L152-I155 HydrophobicContact CD2-CD1 4.25Å; L152-I155 PolarHBondContact O-N 2.83Å; L152-A156 WeakPolarHBondContact O-CB 3.43Å; L152-A156 PolarHBondContact O-N 2.81Å |
| 153 | E | 71.8 | Confident | 64.7 | Low | 86 Ų | 86 | 85.4 Ų | 85.4 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 175 | -173.3 | 179.1 | -154.6 | 0 | 0 | 111.9 | H107 A108 K109 N151 A156 A157 | H107-E153 WeakPolarHBondContact O-CB 3.5Å; H107-E153 WeakPolarHBondContact O-CG 3.26Å; A108-E153 PolarHBondContact O-N 2.76Å; K109-E153 WeakPolarHBondContact CE-OE1 3.48Å; K109-E153 WeakPolarHBondContact CE-OE2 3.41Å; K109-E153 IonicContact NZ-OE1 2.9Å; K109-E153 PolarHBondContact NZ-OE1 3.46Å; K109-E153 IonicContact NZ-OE2 4Å; N151-E153 PolarHBondContact O-N 2.99Å; E153-A156 PolarHBondContact O-N 3.48Å; E153-A157 WeakPolarHBondContact O-CB 3.42Å; E153-A157 PolarHBondContact O-N 2.78Å |
| 154 | E | 67.9 | Low | 62.9 | Low | 149 Ų | 149 | 87.8 Ų | 87.8 | 70% | 0.696 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.9 | -38.3 | 179.5 | -69.5 | -172.3 | 173.2 | 0 | 0 | 111.7 | N151 L152 A157 A158 | N151-E154 PolarHBondContact O-N 3.07Å; L152-E154 PolarHBondContact O-N 3.12Å; E154-A157 PolarHBondContact O-N 2.77Å; E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 2.98Å |
| 155 | I | 66 | Low | 61.6 | Low | 71 Ų | 71 | 88.9 Ų | 88.9 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 178.2 | -52.4 | 173.8 | 0 | 0 | 0 | 110.1 | I34 L152 A158 M159 | I34-I155 HydrophobicContact CD1-CB 3.71Å; I34-I155 HydrophobicContact CD1-CG2 3.27Å; L152-I155 HydrophobicContact CD2-CD1 4.25Å; L152-I155 PolarHBondContact O-N 2.83Å; I155-A158 PolarHBondContact O-N 3.45Å; I155-M159 WeakPolarHBondContact O-CG 3.45Å; I155-M159 PolarHBondContact O-N 2.83Å |
| 156 | A | 62.8 | Low | 60.3 | Low | 21 Ų | 21 | 85.4 Ų | 85.4 | 17% | 0.174 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I34 L152 E153 A158 M159 | I34-A156 HydrophobicContact CG2-CB 4.43Å; L152-A156 WeakPolarHBondContact O-CB 3.43Å; L152-A156 PolarHBondContact O-N 2.81Å; E153-A156 PolarHBondContact O-N 3.48Å; A156-A158 VanDerWaalsContact C-N 3.35Å; A156-M159 PolarHBondContact O-N 2.84Å |
| 157 | A | 61 | Low | 58.8 | Low | 65 Ų | 65 | 89 Ų | 89 | 54% | 0.537 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E153 E154 | E153-A157 WeakPolarHBondContact O-CB 3.42Å; E153-A157 PolarHBondContact O-N 2.78Å; E154-A157 PolarHBondContact O-N 2.77Å |
| 158 | A | 53.4 | Low | 57.5 | Low | 74 Ų | 74 | 84.4 Ų | 84.4 | 61% | 0.612 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -73.9 | -27.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E154 I155 A156 N160 | E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 2.98Å; I155-A158 PolarHBondContact O-N 3.45Å; A156-A158 VanDerWaalsContact C-N 3.35Å; A158-N160 PolarHBondContact O-N 3.01Å |
| 159 | M | 50.7 | Low | 56.1 | Low | 61 Ų | 61 | 83.6 Ų | 83.6 | 30% | 0.3 | 47% | 0.466 | S | S | . | . | trans | -72.3 | 78.1 | 170.3 | -70 | -178.7 | 83.2 | 0 | 0 | 109.5 | I34 I155 A156 K161 | I34-M159 HydrophobicContact CB-SD 4.18Å; I34-M159 HydrophobicContact CD1-SD 3.43Å; I34-M159 WeakPolarHBondContact CD1-SD 3.14Å; I34-M159 HydrophobicContact CG1-SD 4.4Å; I34-M159 HydrophobicContact CG2-SD 3.95Å; I155-M159 WeakPolarHBondContact O-CG 3.45Å; I155-M159 PolarHBondContact O-N 2.83Å; A156-M159 PolarHBondContact O-N 2.84Å; M159-K161 PolarHBondContact O-N 3.08Å | ||
| 160 | N | 45 | Very low | 54.4 | Low | 144 Ų | 144 | 84 Ų | 84 | 77% | 0.77 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -54.8 | 5 | 179.9 | -89.3 | -43 | 0 | 0 | 0 | 116.4 | A158 | A158-N160 PolarHBondContact O-N 3.01Š|
| 161 | K | 44.4 | Very low | 53.2 | Low | 185 Ų | 185 | 83.3 Ų | 83.3 | 80% | 0.804 | 47% | 0.467 | S | S | * | . | trans | -148.1 | 72.1 | -179.1 | -66.9 | -174.5 | -179.6 | -179.3 | 0 | 108.6 | M159 P163 | M159-K161 PolarHBondContact O-N 3.08Å; K161-P163 VanDerWaalsContact O-CD 3.27Å; K161-P163 WeakPolarHBondContact O-CD 3.38Å | ||
| 162 | L | 43.8 | Very low | 52.1 | Low | 88 Ų | 88 | 85 Ų | 85 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 118.7 | 156.7 | -84.1 | 117.5 | 0 | 0 | 0 | 106.7 | Q38 D164 | Q38-L162 HydrophobicContact CG-CD2 3.44Å; Q38-L162 VanDerWaalsContact CG-CD2 3.44Å; L162-D164 PolarHBondContact O-N 3.14Å |
| 163 | P | 41.9 | Very low | 50.9 | Low | 84 Ų | 84 | 87.6 Ų | 87.6 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 137.8 | 169.2 | -19.3 | 31 | 0 | 0 | 0 | 108 | K161 S165 | K161-P163 VanDerWaalsContact O-CD 3.27Å; K161-P163 WeakPolarHBondContact O-CD 3.38Å; P163-S165 PolarHBondContact O-N 3.38Å |
| 164 | D | 42.7 | Very low | 50 | Low | 163 Ų | 163 | 85 Ų | 85 | 87% | 0.872 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 116.6 | 177 | -116.8 | -24.7 | 0 | 0 | 0 | 108.5 | L162 G166 | L162-D164 PolarHBondContact O-N 3.14Å; D164-G166 PolarHBondContact O-N 3.1Å |
| 165 | S | 45.7 | Very low | 49.6 | Very low | 49 Ų | 49 | 83.7 Ų | 83.7 | 34% | 0.343 | 47% | 0.466 | S | S | . | . | trans | -65.6 | 8.8 | 172.2 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | Q71 P163 K167 | Q71-S165 PolarHBondContact NE2-O 3.42Å; Q71-S165 PolarHBondContact NE2-OG 2.88Å; Q71-S165 PolarHBondContact OE1-OG 3.49Å; P163-S165 PolarHBondContact O-N 3.38Å; S165-K167 PolarHBondContact O-N 3.32Å | ||
| 166 | G | 43.6 | Very low | 49.1 | Very low | 56 Ų | 56 | 85.9 Ų | 85.9 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | trans | -68.9 | 0.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D164 | D164-G166 PolarHBondContact O-N 3.1Š| ||
| 167 | K | 43 | Very low | 48.9 | Very low | 173 Ų | 173 | 89.6 Ų | 89.6 | 75% | 0.752 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -121.4 | 98.9 | 166.6 | -76.3 | -172.5 | 176.3 | -173.5 | 0 | 109.4 | S165 N169 | S165-K167 PolarHBondContact O-N 3.32Å; K167-N169 PolarHBondContact O-N 3.27Å; K167-N169 PolarHBondContact O-OD1 3.22Å |
| 168 | P | 44.9 | Very low | 49.3 | Very low | 52 Ų | 52 | 90.4 Ų | 90.4 | 34% | 0.338 | 48% | 0.483 | S | S | . | . | trans | -58.4 | 112.1 | 167.2 | 21.1 | -29.6 | 0 | 0 | 0 | 108.7 | Y170 T171 | P168-Y170 PolarHBondContact O-N 2.87Å; P168-Y170 VanDerWaalsContact O-N 3.17Å; P168-T171 WeakPolarHBondContact CG-OG1 3.3Å; P168-T171 WeakPolarHBondContact O-CB 3.49Å; P168-T171 PolarHBondContact O-N 3.45Å; P168-T171 VanDerWaalsContact O-N 3.1Å; P168-T171 PolarHBondContact O-OG1 3.46Å | ||
| 169 | N | 49.2 | Very low | 50.2 | Low | 62 Ų | 62 | 89.9 Ų | 89.9 | 33% | 0.332 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -26.6 | -173.4 | -60.5 | -42.4 | 0 | 0 | 0 | 113.1 | P21 H24 K167 T171 Q172 | P21-N169 HydrophobicContact CG-CB 3.69Å; H24-N169 PolarHBondContact CD2-ND2 3.44Å; K167-N169 PolarHBondContact O-N 3.27Å; K167-N169 PolarHBondContact O-OD1 3.22Å; N169-T171 VanDerWaalsContact C-N 3.26Å; N169-T171 PolarHBondContact O-N 2.82Å; N169-Q172 PolarHBondContact O-N 3.11Å |
| 170 | Y | 45.9 | Very low | 51.3 | Low | 15 Ų | 15 | 93.4 Ų | 93.4 | 6% | 0.059 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.1 | -32.4 | 176.4 | 177.5 | -95.3 | 0 | 0 | 0 | 113.1 | H48 P168 Q172 M173 E174 | H48-Y170 HydrophobicContact CB-CD1 4.33Å; H48-Y170 HydrophobicContact CB-CD2 4.01Å; H48-Y170 HydrophobicContact CB-CE1 4.22Å; H48-Y170 HydrophobicContact CB-CE2 3.85Å; H48-Y170 HydrophobicContact CB-CG 4.24Å; H48-Y170 AromaticContact CD2-CD1 3.67Å; H48-Y170 AromaticContact CD2-CE1 3.85Å; H48-Y170 AromaticContact CE1-CD1 3.85Å; H48-Y170 AromaticContact CE1-CE1 3.32Å; H48-Y170 WeakPolarHBondContact CE1-CE1 3.27Å; H48-Y170 AromaticContact CE1-CZ 3.98Å; H48-Y170 AromaticContact CG-CD1 3.69Å; H48-Y170 AromaticContact CG-CE1 3.5Å; H48-Y170 AromaticContact CG-CZ 3.7Å; H48-Y170 AromaticContact ND1-CD1 3.81Å; H48-Y170 AromaticContact ND1-CE1 3.15Å; H48-Y170 WeakPolarHBondContact ND1-CE1 3.49Å; H48-Y170 AromaticContact ND1-CZ 3.35Å; H48-Y170 VanDerWaalsContact ND1-CZ 3.35Å; H48-Y170 AromaticContact NE2-CD1 3.8Å; H48-Y170 AromaticContact NE2-CE1 3.76Å; P168-Y170 PolarHBondContact O-N 2.87Å; P168-Y170 VanDerWaalsContact O-N 3.17Å; Y170-Q172 VanDerWaalsContact C-N 3.31Å; Y170-Q172 PolarHBondContact O-N 3.3Å; Y170-M173 PolarHBondContact O-N 2.86Å; Y170-E174 HydrophobicContact CD1-CG 4.35Å; Y170-E174 HydrophobicContact CE1-CG 3.63Å; Y170-E174 WeakPolarHBondContact CE1-OE1 3.35Å; Y170-E174 VanDerWaalsContact CZ-OE1 3.24Å; Y170-E174 PolarHBondContact O-N 3.41Å; Y170-E174 PolarHBondContact OH-OE1 3.27Å |
| 171 | T | 49 | Very low | 53.1 | Low | 61 Ų | 61 | 87.5 Ų | 87.5 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | -177.1 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | P168 N169 M173 E174 E175 | P168-T171 WeakPolarHBondContact CG-OG1 3.3Å; P168-T171 WeakPolarHBondContact O-CB 3.49Å; P168-T171 PolarHBondContact O-N 3.45Å; P168-T171 VanDerWaalsContact O-N 3.1Å; P168-T171 PolarHBondContact O-OG1 3.46Å; N169-T171 VanDerWaalsContact C-N 3.26Å; N169-T171 PolarHBondContact O-N 2.82Å; T171-M173 VanDerWaalsContact C-N 3.34Å; T171-M173 PolarHBondContact O-N 2.9Å; T171-E174 PolarHBondContact O-N 2.98Å; T171-E175 WeakPolarHBondContact O-CG 3.49Å; T171-E175 PolarHBondContact O-N 3.02Å |
| 172 | Q | 48.1 | Very low | 55 | Low | 125 Ų | 125 | 79.1 Ų | 79.1 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.5 | -38 | -177.5 | -170 | 171 | -7.4 | 0 | 0 | 112.1 | N169 Y170 E175 | N169-Q172 PolarHBondContact O-N 3.11Å; Y170-Q172 VanDerWaalsContact C-N 3.31Å; Y170-Q172 PolarHBondContact O-N 3.3Å; Q172-E175 PolarHBondContact O-N 3.37Å |
| 173 | M | 47.6 | Very low | 56.9 | Low | 55 Ų | 55 | 77.2 Ų | 77.2 | 27% | 0.271 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.6 | -32.8 | -177.8 | -162.4 | -173.6 | 72.5 | 0 | 0 | 113.1 | Q18 Y170 T171 E175 | Q18-M173 HydrophobicContact CB-CE 3.52Å; Q18-M173 HydrophobicContact CB-SD 3.57Å; Q18-M173 VanDerWaalsContact CB-SD 3.57Å; Q18-M173 HydrophobicContact CG-SD 4.24Å; Q18-M173 WeakPolarHBondContact O-CE 3.43Å; Y170-M173 PolarHBondContact O-N 2.86Å; T171-M173 VanDerWaalsContact C-N 3.34Å; T171-M173 PolarHBondContact O-N 2.9Å; M173-E175 VanDerWaalsContact C-N 3.3Å; M173-E175 PolarHBondContact O-N 3.41Å |
| 174 | E | 53.6 | Low | 58.8 | Low | 32 Ų | 32 | 76 Ų | 76 | 15% | 0.15 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.4 | -29 | 173.3 | -74.4 | -164.2 | 148.8 | 0 | 0 | 113.1 | R61 Y170 T171 K178 | R61-E174 IonicContact CZ-OE1 2.84Å; R61-E174 IonicContact CZ-OE2 3.17Å; R61-E174 IonicContact NH1-OE1 3.87Å; R61-E174 PolarHBondContact NH1-OE1 3.01Å; R61-E174 IonicContact NH1-OE2 3.1Å; R61-E174 PolarHBondContact NH1-OE2 3.2Å; R61-E174 IonicContact NH2-OE1 3.75Å; R61-E174 PolarHBondContact NH2-OE1 3.18Å; Y170-E174 HydrophobicContact CD1-CG 4.35Å; Y170-E174 HydrophobicContact CE1-CG 3.63Å; Y170-E174 WeakPolarHBondContact CE1-OE1 3.35Å; Y170-E174 VanDerWaalsContact CZ-OE1 3.24Å; Y170-E174 PolarHBondContact O-N 3.41Å; Y170-E174 PolarHBondContact OH-OE1 3.27Å; T171-E174 PolarHBondContact O-N 2.98Å; E174-K178 WeakPolarHBondContact O-CG 3.27Å |
| 175 | E | 59.9 | Low | 60.7 | Low | 122 Ų | 122 | 68.3 Ų | 68.3 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.8 | -37.9 | 177.9 | -72.7 | 177.7 | 176.4 | 0 | 0 | 111.5 | T171 Q172 M173 N177 K178 E179 | T171-E175 WeakPolarHBondContact O-CG 3.49Å; T171-E175 PolarHBondContact O-N 3.02Å; Q172-E175 PolarHBondContact O-N 3.37Å; M173-E175 VanDerWaalsContact C-N 3.3Å; M173-E175 PolarHBondContact O-N 3.41Å; E175-N177 PolarHBondContact O-N 3.31Å; E175-K178 PolarHBondContact O-N 3.36Å; E175-E179 PolarHBondContact O-N 2.91Å; E175-E179 VanDerWaalsContact O-N 3.15Å |
| 176 | E | 55 | Low | 62.5 | Low | 116 Ų | 116 | 66 Ų | 66 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 179.4 | -69.9 | -179.3 | -176.4 | 0 | 0 | 113.5 | K178 E179 | E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 2.93Å; E176-E179 WeakPolarHBondContact O-CB 3.19Å; E176-E179 PolarHBondContact O-N 3.48Å |
| 177 | N | 59.1 | Low | 64.1 | Low | 100 Ų | 100 | 67.3 Ų | 67.3 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.9 | -34 | 178.8 | -77.7 | -28 | 0 | 0 | 0 | 112.2 | E175 E179 | E175-N177 PolarHBondContact O-N 3.31Å; N177-E179 VanDerWaalsContact C-N 3.35Å |
| 178 | K | 68.3 | Low | 65.5 | Low | 81 Ų | 81 | 64.2 Ų | 64.2 | 35% | 0.352 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 175.7 | -68 | 168.7 | -176.2 | 168.3 | 0 | 109.9 | E174 E175 E176 K180 L181 Y182 T338 Q342 | E174-K178 WeakPolarHBondContact O-CG 3.27Å; E175-K178 PolarHBondContact O-N 3.36Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 2.93Å; K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 3.22Å; K178-L181 WeakPolarHBondContact O-CB 3.21Å; K178-L181 PolarHBondContact O-N 3.42Å; K178-L181 VanDerWaalsContact O-N 3.09Å; K178-Y182 PolarHBondContact O-N 2.86Å; K178-T338 HydrophobicContact CB-CG2 4.41Å; K178-T338 HydrophobicContact CD-CG2 4.03Å; K178-T338 HydrophobicContact CG-CG2 4.1Å; K178-Q342 PolarHBondContact O-NE2 2.86Å; K178-Q342 PolarHBondContact O-OE1 2.77Å |
| 179 | E | 73.7 | Confident | 66.3 | Low | 64 Ų | 64 | 62.4 Ų | 62.4 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -52.9 | -45.2 | -178.5 | -170.1 | 62.6 | -167.5 | 0 | 0 | 113.3 | E175 E176 N177 L181 Y182 D183 Q342 K346 | E175-E179 PolarHBondContact O-N 2.91Å; E175-E179 VanDerWaalsContact O-N 3.15Å; E176-E179 WeakPolarHBondContact O-CB 3.19Å; E176-E179 PolarHBondContact O-N 3.48Å; N177-E179 VanDerWaalsContact C-N 3.35Å; E179-L181 VanDerWaalsContact C-N 3.26Å; E179-L181 PolarHBondContact O-N 3.27Å; E179-Y182 WeakPolarHBondContact O-CB 3.2Å; E179-Y182 PolarHBondContact O-N 3.44Å; E179-Y182 VanDerWaalsContact O-N 3.1Å; E179-D183 PolarHBondContact O-N 2.92Å; E179-D183 VanDerWaalsContact O-N 3.08Å; E179-Q342 VanDerWaalsContact CA-NE2 3.3Å; E179-K346 WeakPolarHBondContact OE1-CE 3.46Å; E179-K346 IonicContact OE1-NZ 3.01Å; E179-K346 PolarHBondContact OE1-NZ 3.09Å; E179-K346 IonicContact OE2-NZ 2.8Å; E179-K346 PolarHBondContact OE2-NZ 3.32Å |
| 180 | K | 73.7 | Confident | 66.7 | Low | 135 Ų | 135 | 60.1 Ų | 60.1 | 59% | 0.587 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.3 | -33.4 | 179.7 | -66 | 175.1 | -176.4 | 164.9 | 0 | 113.7 | K178 T184 | K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 3.22Å; K180-T184 PolarHBondContact O-N 3.46Å; K180-T184 VanDerWaalsContact O-N 3.17Å; K180-T184 PolarHBondContact O-OG1 2.94Å |
| 181 | L | 82.6 | Confident | 67.3 | Low | 20 Ų | 20 | 63.4 Ų | 63.4 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -48.7 | 175.9 | 172.5 | 66.9 | 0 | 0 | 0 | 110.8 | K178 E179 D183 T184 V185 F331 E335 I339 | K178-L181 WeakPolarHBondContact O-CB 3.21Å; K178-L181 PolarHBondContact O-N 3.42Å; K178-L181 VanDerWaalsContact O-N 3.09Å; E179-L181 VanDerWaalsContact C-N 3.26Å; E179-L181 PolarHBondContact O-N 3.27Å; L181-D183 VanDerWaalsContact C-N 3.34Å; L181-D183 PolarHBondContact O-N 3.28Å; L181-T184 PolarHBondContact O-N 3.24Å; L181-V185 HydrophobicContact CD1-CG2 3.91Å; L181-V185 WeakPolarHBondContact O-CB 3.44Å; L181-V185 WeakPolarHBondContact O-CG2 3.19Å; L181-V185 PolarHBondContact O-N 3.45Å; L181-F331 HydrophobicContact CD1-CB 4.2Å; L181-F331 HydrophobicContact CD1-CD1 3.19Å; L181-F331 HydrophobicContact CD1-CD2 3.9Å; L181-F331 HydrophobicContact CD1-CE1 3.32Å; L181-F331 HydrophobicContact CD1-CE2 4.02Å; L181-F331 HydrophobicContact CD1-CG 3.49Å; L181-F331 VanDerWaalsContact CD1-CG 3.49Å; L181-F331 HydrophobicContact CD1-CZ 3.74Å; L181-E335 HydrophobicContact CD2-CB 4.1Å; L181-E335 VanDerWaalsContact CD2-O 3.24Å; L181-E335 WeakPolarHBondContact CD2-O 3.13Å; L181-I339 HydrophobicContact CD2-CG1 4.28Å; L181-I339 HydrophobicContact CG-CG1 4.36Å |
| 182 | Y | 84.6 | Confident | 67.4 | Low | 8 Ų | 8 | 64.8 Ų | 64.8 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 179.1 | 178 | -93.7 | 0 | 0 | 0 | 111.7 | K178 E179 T184 V185 V186 I339 Q342 R343 K346 | K178-Y182 PolarHBondContact O-N 2.86Å; E179-Y182 WeakPolarHBondContact O-CB 3.2Å; E179-Y182 PolarHBondContact O-N 3.44Å; E179-Y182 VanDerWaalsContact O-N 3.1Å; Y182-T184 VanDerWaalsContact C-N 3.3Å; Y182-T184 PolarHBondContact O-N 3.2Å; Y182-V185 PolarHBondContact O-N 3.49Å; Y182-V186 HydrophobicContact CD2-CB 4.12Å; Y182-V186 HydrophobicContact CD2-CG2 3.78Å; Y182-V186 HydrophobicContact CE1-CB 4.29Å; Y182-V186 HydrophobicContact CE2-CB 3.75Å; Y182-V186 HydrophobicContact CE2-CG1 3.96Å; Y182-V186 HydrophobicContact CE2-CG2 3.61Å; Y182-V186 WeakPolarHBondContact O-CB 3.48Å; Y182-V186 PolarHBondContact O-N 3.01Å; Y182-I339 HydrophobicContact CD2-CG2 4.29Å; Y182-Q342 VanDerWaalsContact CB-NE2 3.34Å; Y182-Q342 HydrophobicContact CD2-CB 3.64Å; Y182-Q342 HydrophobicContact CE2-CB 4.4Å; Y182-Q342 HydrophobicContact CG-CB 3.98Å; Y182-R343 HydrophobicContact CE2-CB 3.93Å; Y182-R343 WeakPolarHBondContact OH-CD 3.34Å; Y182-R343 PolarHBondContact OH-NH1 3.21Å; Y182-K346 HydrophobicContact CD1-CG 4.46Å; Y182-K346 HydrophobicContact CE1-CD 4.24Å; Y182-K346 HydrophobicContact CE1-CG 3.67Å; Y182-K346 HydrophobicContact CE2-CG 4.43Å |
| 183 | D | 82.9 | Confident | 67.7 | Low | 49 Ų | 49 | 63.8 Ų | 63.8 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -61.9 | -41.3 | 179.9 | -74.4 | -18.6 | 0 | 0 | 0 | 111.7 | E179 L181 Y187 Q188 | E179-D183 PolarHBondContact O-N 2.92Å; E179-D183 VanDerWaalsContact O-N 3.08Å; L181-D183 VanDerWaalsContact C-N 3.34Å; L181-D183 PolarHBondContact O-N 3.28Å; D183-Y187 CarbonylContact O-C 3.6Å; D183-Y187 WeakPolarHBondContact O-CB 3.28Å; D183-Y187 PolarHBondContact O-N 2.91Å; D183-Q188 WeakPolarHBondContact O-CB 3.43Å; D183-Q188 WeakPolarHBondContact O-CG 3.37Å; D183-Q188 PolarHBondContact O-N 2.9Å |
| 184 | T | 81.5 | Confident | 67.8 | Low | 59 Ų | 59 | 66.3 Ų | 66.3 | 36% | 0.362 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -67.7 | -42.6 | 178.9 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | K180 L181 Y182 F331 | K180-T184 PolarHBondContact O-N 3.46Å; K180-T184 VanDerWaalsContact O-N 3.17Å; K180-T184 PolarHBondContact O-OG1 2.94Å; L181-T184 PolarHBondContact O-N 3.24Å; Y182-T184 VanDerWaalsContact C-N 3.3Å; Y182-T184 PolarHBondContact O-N 3.2Å; T184-F331 HydrophobicContact CG2-CE2 4.09Å; T184-F331 HydrophobicContact CG2-CZ 3.77Å |
| 185 | V | 82.4 | Confident | 67.5 | Low | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -83.4 | -45.4 | -172 | 174 | 0 | 0 | 0 | 0 | 112.3 | L181 Y182 V221 Y328 F331 I339 | L181-V185 HydrophobicContact CD1-CG2 3.91Å; L181-V185 WeakPolarHBondContact O-CB 3.44Å; L181-V185 WeakPolarHBondContact O-CG2 3.19Å; L181-V185 PolarHBondContact O-N 3.45Å; Y182-V185 PolarHBondContact O-N 3.49Å; V185-V221 HydrophobicContact CG1-CG1 4.43Å; V185-V221 HydrophobicContact CG1-CG2 3.51Å; V185-Y328 HydrophobicContact CB-CD1 4.35Å; V185-Y328 HydrophobicContact CB-CE1 4.27Å; V185-Y328 HydrophobicContact CG1-CD1 3.82Å; V185-Y328 HydrophobicContact CG1-CE1 3.6Å; V185-Y328 HydrophobicContact CG1-CG 4.49Å; V185-Y328 HydrophobicContact CG2-CD1 4.07Å; V185-Y328 HydrophobicContact CG2-CE1 4.47Å; V185-F331 HydrophobicContact CG2-CD2 3.66Å; V185-F331 HydrophobicContact CG2-CE2 3.4Å; V185-F331 HydrophobicContact CG2-CZ 4.14Å; V185-I339 HydrophobicContact CB-CD1 3.98Å; V185-I339 HydrophobicContact CG1-CD1 3.52Å; V185-I339 HydrophobicContact CG2-CD1 4.11Å |
| 186 | V | 84.8 | Confident | 67 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -98.2 | -51.8 | -171.7 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | Y182 S190 T214 N217 I339 | Y182-V186 HydrophobicContact CD2-CB 4.12Å; Y182-V186 HydrophobicContact CD2-CG2 3.78Å; Y182-V186 HydrophobicContact CE1-CB 4.29Å; Y182-V186 HydrophobicContact CE2-CB 3.75Å; Y182-V186 HydrophobicContact CE2-CG1 3.96Å; Y182-V186 HydrophobicContact CE2-CG2 3.61Å; Y182-V186 WeakPolarHBondContact O-CB 3.48Å; Y182-V186 PolarHBondContact O-N 3.01Å; V186-S190 PolarHBondContact O-OG 3.2Å; V186-T214 WeakPolarHBondContact CG1-O 3.41Å; V186-N217 HydrophobicContact CG1-CB 4.44Å; V186-N217 PolarHBondContact O-ND2 3.15Å; V186-I339 HydrophobicContact CG2-CG2 3.67Å |
| 187 | Y | 76.1 | Confident | 66.6 | Low | 84 Ų | 84 | 72.8 Ų | 72.8 | 33% | 0.329 | 37% | 0.367 | S | S | . | . | I | π-helix | trans | -74.4 | -52.9 | -173.9 | -175.7 | -98.9 | 0 | 0 | 0 | 112.7 | D183 G189 S190 E210 T214 | D183-Y187 CarbonylContact O-C 3.6Å; D183-Y187 WeakPolarHBondContact O-CB 3.28Å; D183-Y187 PolarHBondContact O-N 2.91Å; Y187-G189 VanDerWaalsContact C-N 3.27Å; Y187-G189 PolarHBondContact O-N 3.41Å; Y187-S190 VanDerWaalsContact O-CB 3.29Å; Y187-S190 WeakPolarHBondContact O-CB 3.39Å; Y187-S190 PolarHBondContact O-N 2.7Å; Y187-E210 HydrophobicContact CE2-CG 4.22Å; Y187-E210 WeakPolarHBondContact CE2-OE1 3.45Å; Y187-T214 HydrophobicContact CD2-CG2 4.24Å |
| 188 | Q | 72 | Confident | 66.4 | Low | 108 Ų | 108 | 72.7 Ų | 72.7 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.6 | -30 | 177.4 | -68.5 | 177.7 | 9.3 | 0 | 0 | 111.9 | D183 S190 K191 | D183-Q188 WeakPolarHBondContact O-CB 3.43Å; D183-Q188 WeakPolarHBondContact O-CG 3.37Å; D183-Q188 PolarHBondContact O-N 2.9Å; Q188-S190 PolarHBondContact O-N 2.81Å; Q188-S190 VanDerWaalsContact O-N 3.11Å; Q188-K191 PolarHBondContact O-N 3.42Å; Q188-K191 VanDerWaalsContact O-N 3.16Å |
| 189 | G | 63.4 | Low | 66 | Low | 14 Ų | 14 | 75.6 Ų | 75.6 | 14% | 0.144 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -52.1 | -31.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y187 S192 N217 | Y187-G189 VanDerWaalsContact C-N 3.27Å; Y187-G189 PolarHBondContact O-N 3.41Å; G189-S192 PolarHBondContact O-OG 3.14Å; G189-N217 PolarHBondContact O-ND2 3.42Å |
| 190 | S | 57.3 | Low | 65.4 | Low | 13 Ų | 13 | 73.4 Ų | 73.4 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.2 | -38.6 | -177.5 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | V186 Y187 Q188 S192 R193 D213 T214 N217 | V186-S190 PolarHBondContact O-OG 3.2Å; Y187-S190 VanDerWaalsContact O-CB 3.29Å; Y187-S190 WeakPolarHBondContact O-CB 3.39Å; Y187-S190 PolarHBondContact O-N 2.7Å; Q188-S190 PolarHBondContact O-N 2.81Å; Q188-S190 VanDerWaalsContact O-N 3.11Å; S190-S192 PolarHBondContact O-N 3.1Å; S190-R193 PolarHBondContact O-N 3.04Å; S190-R193 VanDerWaalsContact O-N 3.1Å; S190-D213 PolarHBondContact OG-O 2.71Å; S190-T214 PolarHBondContact OG-N 2.9Å; S190-N217 WeakPolarHBondContact CA-ND2 3.25Å; S190-N217 WeakPolarHBondContact CB-ND2 3.43Å; S190-N217 PolarHBondContact N-ND2 2.8Å; S190-N217 PolarHBondContact OG-ND2 3.26Å |
| 191 | K | 57.1 | Low | 65.2 | Low | 85 Ų | 85 | 73.4 Ų | 73.4 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.9 | -28.4 | -177.4 | -66.7 | -172.7 | 179.6 | 179.9 | 0 | 112.7 | Q188 R193 L194 | Q188-K191 PolarHBondContact O-N 3.42Å; Q188-K191 VanDerWaalsContact O-N 3.16Å; K191-R193 PolarHBondContact O-N 2.94Å; K191-R193 VanDerWaalsContact O-N 3.14Å; K191-L194 WeakPolarHBondContact O-CG 3.48Å; K191-L194 PolarHBondContact O-N 3.43Å |
| 192 | S | 52.5 | Low | 65.3 | Low | 89 Ų | 89 | 75.9 Ų | 75.9 | 62% | 0.622 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17 | 175.9 | 71.9 | 0 | 0 | 0 | 0 | 114.2 | G189 S190 | G189-S192 PolarHBondContact O-OG 3.14Å; S190-S192 PolarHBondContact O-N 3.1Å |
| 193 | R | 53.1 | Low | 65.4 | Low | 105 Ų | 105 | 78.3 Ų | 78.3 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 31.9 | -179.1 | -55.7 | -167 | -149.3 | -168.8 | 14.8 | 113.2 | S190 K191 N195 D220 | S190-R193 PolarHBondContact O-N 3.04Å; S190-R193 VanDerWaalsContact O-N 3.1Å; K191-R193 PolarHBondContact O-N 2.94Å; K191-R193 VanDerWaalsContact O-N 3.14Å; R193-N195 PolarHBondContact O-N 3.24Å; R193-D220 IonicContact CZ-OD2 2.7Å; R193-D220 IonicContact NH1-OD2 3.88Å; R193-D220 IonicContact NH2-OD2 3.23Å; R193-D220 PolarHBondContact NH2-OD2 3.27Å |
| 194 | L | 51.2 | Low | 65.8 | Low | 108 Ų | 108 | 78.4 Ų | 78.4 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | trans | -59.7 | 92.8 | 169.4 | -71.9 | 169.1 | 0 | 0 | 0 | 108.9 | K191 L196 | K191-L194 WeakPolarHBondContact O-CG 3.48Å; K191-L194 PolarHBondContact O-N 3.43Å; L194-L196 PolarHBondContact O-N 2.86Å | ||
| 195 | N | 47.2 | Very low | 66.1 | Low | 121 Ų | 121 | 77.1 Ų | 77.1 | 65% | 0.647 | 42% | 0.422 | S | S | * | . | trans | -74.5 | 122.9 | 175.4 | -156.1 | -5.3 | 0 | 0 | 0 | 107.2 | R193 D197 | R193-N195 PolarHBondContact O-N 3.24Å; N195-D197 PolarHBondContact O-N 2.85Å; N195-D197 VanDerWaalsContact O-N 3.16Å | ||
| 196 | L | 48.7 | Very low | 66.4 | Low | 145 Ų | 145 | 82 Ų | 82 | 76% | 0.759 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -8.8 | -171.6 | -161.1 | 69.2 | 0 | 0 | 0 | 113 | L194 S198 | L194-L196 PolarHBondContact O-N 2.86Å; L196-S198 VanDerWaalsContact C-N 3.3Å; L196-S198 PolarHBondContact O-N 2.94Å |
| 197 | D | 47.5 | Very low | 66.7 | Low | 140 Ų | 140 | 82.1 Ų | 82.1 | 75% | 0.749 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.5 | -162.7 | -71.7 | -18.3 | 0 | 0 | 0 | 116 | N195 | N195-D197 PolarHBondContact O-N 2.85Å; N195-D197 VanDerWaalsContact O-N 3.16Å |
| 198 | S | 53.8 | Low | 67.5 | Low | 97 Ų | 97 | 79.4 Ų | 79.4 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | trans | -170.5 | 103.3 | 156.4 | 44.7 | 0 | 0 | 0 | 0 | 109.2 | L196 P200 | L196-S198 VanDerWaalsContact C-N 3.3Å; L196-S198 PolarHBondContact O-N 2.94Å; S198-P200 WeakPolarHBondContact O-CD 3.36Å | ||
| 199 | E | 59.5 | Low | 68.4 | Low | 142 Ų | 142 | 77.3 Ų | 77.3 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | trans | -63.8 | 125.1 | 170.5 | -79 | -166.8 | 142.5 | 0 | 0 | 109.2 | T201 | E199-T201 PolarHBondContact O-N 3.07Š| ||
| 200 | P | 61.1 | Low | 69.8 | Low | 19 Ų | 19 | 79.3 Ų | 79.3 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | trans | -59.8 | 127.9 | 174.3 | 20.7 | -28.7 | 0 | 0 | 0 | 108.5 | S198 T202 A205 Y206 R209 | S198-P200 WeakPolarHBondContact O-CD 3.36Å; P200-T202 VanDerWaalsContact C-N 3.32Å; P200-T202 PolarHBondContact O-N 3.01Å; P200-A205 HydrophobicContact CB-CB 3.55Å; P200-Y206 HydrophobicContact CB-CD2 4.1Å; P200-Y206 HydrophobicContact CB-CE2 4.26Å; P200-Y206 HydrophobicContact CB-CG 4.32Å; P200-Y206 HydrophobicContact CG-CD1 3.73Å; P200-Y206 HydrophobicContact CG-CD2 3.82Å; P200-Y206 HydrophobicContact CG-CE1 3.74Å; P200-Y206 HydrophobicContact CG-CE2 3.81Å; P200-Y206 HydrophobicContact CG-CG 3.76Å; P200-Y206 WeakPolarHBondContact O-CE2 3.38Å; P200-R209 VanDerWaalsContact CG-NH2 3.28Å | ||
| 201 | T | 69.3 | Low | 71.6 | Confident | 134 Ų | 134 | 78.7 Ų | 78.7 | 82% | 0.822 | 42% | 0.421 | S | S | * | . | trans | -82.9 | -11.4 | -172.8 | 52 | 0 | 0 | 0 | 0 | 113.2 | E199 | E199-T201 PolarHBondContact O-N 3.07Š| ||
| 202 | T | 86.2 | Confident | 73.4 | Confident | 72 Ų | 72 | 75.6 Ų | 75.6 | 44% | 0.442 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -134.4 | 149.7 | -173.5 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | P200 R204 A205 Y206 | P200-T202 VanDerWaalsContact C-N 3.32Å; P200-T202 PolarHBondContact O-N 3.01Å; T202-R204 PolarHBondContact O-N 3.34Å; T202-A205 WeakPolarHBondContact O-CB 3.41Å; T202-A205 PolarHBondContact O-N 3.31Å; T202-A205 WeakPolarHBondContact OG1-CB 3.47Å; T202-A205 PolarHBondContact OG1-N 3.35Å; T202-Y206 WeakPolarHBondContact O-CD2 3.34Å; T202-Y206 PolarHBondContact O-N 3.42Å |
| 203 | A | 87 | Confident | 75.3 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 49% | 0.488 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.5 | -38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A205 Y206 C207 L357 | A203-A205 PolarHBondContact O-N 2.79Å; A203-Y206 WeakPolarHBondContact O-CB 3.48Å; A203-Y206 PolarHBondContact O-N 3.39Å; A203-C207 PolarHBondContact O-N 3.12Å; A203-L357 HydrophobicContact CB-CD1 4.31Å; A203-L357 HydrophobicContact CB-CD2 3.96Å |
| 204 | R | 89.5 | Confident | 77.3 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 173.4 | -176.4 | -178.3 | -178.2 | -100.7 | 2.5 | 111.7 | T202 Y206 C207 I208 L354 L357 T358 H362 D364 | T202-R204 PolarHBondContact O-N 3.34Å; R204-Y206 VanDerWaalsContact C-N 3.34Å; R204-Y206 PolarHBondContact O-N 2.73Å; R204-C207 PolarHBondContact O-N 2.9Å; R204-I208 HydrophobicContact CG-CD1 4.18Å; R204-I208 WeakPolarHBondContact O-CG1 3.4Å; R204-I208 PolarHBondContact O-N 3.24Å; R204-L354 HydrophobicContact CG-CD1 3.75Å; R204-L357 HydrophobicContact CB-CB 4.36Å; R204-T358 PolarHBondContact NE-OG1 2.93Å; R204-H362 PolarHBondContact NH2-CE1 2.89Å; R204-D364 IonicContact CZ-OD2 2.79Å; R204-D364 IonicContact NH2-OD2 2.88Å; R204-D364 PolarHBondContact NH2-OD2 3.03Å |
| 205 | A | 88.7 | Confident | 79.4 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.4 | -35 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P200 T202 A203 I208 R209 | P200-A205 HydrophobicContact CB-CB 3.55Å; T202-A205 WeakPolarHBondContact O-CB 3.41Å; T202-A205 PolarHBondContact O-N 3.31Å; T202-A205 WeakPolarHBondContact OG1-CB 3.47Å; T202-A205 PolarHBondContact OG1-N 3.35Å; A203-A205 PolarHBondContact O-N 2.79Å; A205-I208 PolarHBondContact O-N 3Å; A205-R209 WeakPolarHBondContact O-CB 3.39Å; A205-R209 PolarHBondContact O-N 2.77Å |
| 206 | Y | 87.9 | Confident | 81.7 | Confident | 103 Ų | 103 | 62 Ų | 62 | 40% | 0.404 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 170.8 | -84.7 | -85.7 | 0 | 0 | 0 | 111.9 | P200 T202 A203 R204 R209 E210 | P200-Y206 HydrophobicContact CB-CD2 4.1Å; P200-Y206 HydrophobicContact CB-CE2 4.26Å; P200-Y206 HydrophobicContact CB-CG 4.32Å; P200-Y206 HydrophobicContact CG-CD1 3.73Å; P200-Y206 HydrophobicContact CG-CD2 3.82Å; P200-Y206 HydrophobicContact CG-CE1 3.74Å; P200-Y206 HydrophobicContact CG-CE2 3.81Å; P200-Y206 HydrophobicContact CG-CG 3.76Å; P200-Y206 WeakPolarHBondContact O-CE2 3.38Å; T202-Y206 WeakPolarHBondContact O-CD2 3.34Å; T202-Y206 PolarHBondContact O-N 3.42Å; A203-Y206 WeakPolarHBondContact O-CB 3.48Å; A203-Y206 PolarHBondContact O-N 3.39Å; R204-Y206 VanDerWaalsContact C-N 3.34Å; R204-Y206 PolarHBondContact O-N 2.73Å; Y206-R209 PolarHBondContact O-N 3.05Å; Y206-E210 WeakPolarHBondContact O-CB 3.31Å; Y206-E210 PolarHBondContact O-N 3.35Å |
| 207 | C | 91.9 | Very high | 83.8 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 112.3 | A203 R204 R209 E210 I211 L354 L357 | A203-C207 PolarHBondContact O-N 3.12Å; R204-C207 PolarHBondContact O-N 2.9Å; C207-R209 VanDerWaalsContact C-N 3.35Å; C207-R209 PolarHBondContact O-N 3.49Å; C207-E210 WeakPolarHBondContact O-CB 3.45Å; C207-E210 PolarHBondContact O-N 2.71Å; C207-I211 WeakPolarHBondContact O-CG1 3.21Å; C207-I211 PolarHBondContact O-N 2.77Å; C207-L354 HydrophobicContact CB-CD1 4.42Å; C207-L357 HydrophobicContact CB-CD1 3.8Å |
| 208 | I | 93.1 | Very high | 86.1 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.138 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 175 | -66.8 | 170.2 | 0 | 0 | 0 | 110.8 | R204 A205 E210 I211 V212 T267 L276 L354 | R204-I208 HydrophobicContact CG-CD1 4.18Å; R204-I208 WeakPolarHBondContact O-CG1 3.4Å; R204-I208 PolarHBondContact O-N 3.24Å; A205-I208 PolarHBondContact O-N 3Å; I208-E210 VanDerWaalsContact C-N 3.32Å; I208-E210 PolarHBondContact O-N 3.14Å; I208-I211 WeakPolarHBondContact O-CB 3.49Å; I208-I211 PolarHBondContact O-N 3.47Å; I208-V212 WeakPolarHBondContact O-CG2 3.31Å; I208-V212 PolarHBondContact O-N 3.22Å; I208-T267 HydrophobicContact CG2-CG2 3.52Å; I208-L276 HydrophobicContact CG1-CD2 4.13Å; I208-L354 HydrophobicContact CD1-CD1 4.24Å; I208-L354 HydrophobicContact CG1-CD1 3.76Å; I208-L354 HydrophobicContact CG1-CD2 4.18Å |
| 209 | R | 90 | Very high | 88.2 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.3 | -179.1 | 173.8 | 65.9 | 175.1 | 0.8 | 111.5 | P200 A205 Y206 C207 I211 V212 D213 | P200-R209 VanDerWaalsContact CG-NH2 3.28Å; A205-R209 WeakPolarHBondContact O-CB 3.39Å; A205-R209 PolarHBondContact O-N 2.77Å; Y206-R209 PolarHBondContact O-N 3.05Å; C207-R209 VanDerWaalsContact C-N 3.35Å; C207-R209 PolarHBondContact O-N 3.49Å; R209-I211 VanDerWaalsContact C-N 3.35Å; R209-I211 PolarHBondContact O-N 2.84Å; R209-V212 PolarHBondContact O-N 2.96Å; R209-D213 VanDerWaalsContact CG-OD2 3.23Å; R209-D213 WeakPolarHBondContact CG-OD2 3.35Å; R209-D213 WeakPolarHBondContact O-CB 3.47Å; R209-D213 PolarHBondContact O-N 3.15Å |
| 210 | E | 92.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 40.2 Ų | 40.2 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.9 | -45.5 | 175.6 | -178 | -174.3 | 165.7 | 0 | 0 | 111.8 | Y187 Y206 C207 I208 V212 D213 T214 L350 | Y187-E210 HydrophobicContact CE2-CG 4.22Å; Y187-E210 WeakPolarHBondContact CE2-OE1 3.45Å; Y206-E210 WeakPolarHBondContact O-CB 3.31Å; Y206-E210 PolarHBondContact O-N 3.35Å; C207-E210 WeakPolarHBondContact O-CB 3.45Å; C207-E210 PolarHBondContact O-N 2.71Å; I208-E210 VanDerWaalsContact C-N 3.32Å; I208-E210 PolarHBondContact O-N 3.14Å; E210-V212 VanDerWaalsContact C-N 3.32Å; E210-V212 PolarHBondContact O-N 2.85Å; E210-D213 PolarHBondContact O-N 2.85Å; E210-T214 HydrophobicContact CG-CG2 4.09Å; E210-T214 VanDerWaalsContact O-CB 3.29Å; E210-T214 WeakPolarHBondContact O-CB 3.49Å; E210-T214 VanDerWaalsContact O-CG2 3.27Å; E210-T214 WeakPolarHBondContact O-CG2 3.43Å; E210-T214 PolarHBondContact O-N 3.01Å; E210-T214 PolarHBondContact O-OG1 3.3Å; E210-L350 HydrophobicContact CG-CD2 4.33Å; E210-L350 WeakPolarHBondContact OE1-CD2 3.48Å |
| 211 | I | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.5 | -49.4 | 175.9 | -69.9 | 166 | 0 | 0 | 0 | 110.6 | C207 I208 R209 T214 E215 L263 F280 R343 L350 L354 | C207-I211 WeakPolarHBondContact O-CG1 3.21Å; C207-I211 PolarHBondContact O-N 2.77Å; I208-I211 WeakPolarHBondContact O-CB 3.49Å; I208-I211 PolarHBondContact O-N 3.47Å; R209-I211 VanDerWaalsContact C-N 3.35Å; R209-I211 PolarHBondContact O-N 2.84Å; I211-T214 PolarHBondContact O-OG1 3.19Å; I211-E215 VanDerWaalsContact O-CB 3.29Å; I211-E215 WeakPolarHBondContact O-CB 3.37Å; I211-E215 PolarHBondContact O-N 2.8Å; I211-E215 VanDerWaalsContact O-N 3.11Å; I211-L263 HydrophobicContact CG2-CD1 4.19Å; I211-L263 HydrophobicContact CG2-CD2 4.27Å; I211-F280 HydrophobicContact CG2-CE2 4.47Å; I211-F280 HydrophobicContact CG2-CZ 3.97Å; I211-R343 PolarHBondContact O-NH2 2.93Å; I211-L350 HydrophobicContact CD1-CB 4.27Å; I211-L350 HydrophobicContact CG1-CB 3.9Å; I211-L350 HydrophobicContact CG1-CD1 4.09Å; I211-L350 HydrophobicContact CG1-CD2 4.44Å; I211-L350 HydrophobicContact CG1-CG 4.38Å; I211-L354 HydrophobicContact CD1-CD2 4.13Å |
| 212 | V | 94.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 33 Ų | 33 | 13% | 0.127 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -45.9 | -177.7 | 178.8 | 0 | 0 | 0 | 0 | 112 | I208 R209 E210 E215 K216 L260 L263 T267 | I208-V212 WeakPolarHBondContact O-CG2 3.31Å; I208-V212 PolarHBondContact O-N 3.22Å; R209-V212 PolarHBondContact O-N 2.96Å; E210-V212 VanDerWaalsContact C-N 3.32Å; E210-V212 PolarHBondContact O-N 2.85Å; V212-E215 WeakPolarHBondContact O-CB 3.33Å; V212-E215 PolarHBondContact O-N 3.28Å; V212-K216 WeakPolarHBondContact O-CB 3.44Å; V212-K216 PolarHBondContact O-N 3.39Å; V212-L260 HydrophobicContact CG1-CD1 4.45Å; V212-L263 HydrophobicContact CG2-CB 4.38Å; V212-T267 HydrophobicContact CG2-CG2 4.01Å |
| 213 | D | 92.8 | Very high | 93.2 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 24% | 0.235 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.1 | -39.8 | -175.9 | -75.4 | -19.3 | 0 | 0 | 0 | 112 | S190 R209 E210 E215 K216 N217 | S190-D213 PolarHBondContact OG-O 2.71Å; R209-D213 VanDerWaalsContact CG-OD2 3.23Å; R209-D213 WeakPolarHBondContact CG-OD2 3.35Å; R209-D213 WeakPolarHBondContact O-CB 3.47Å; R209-D213 PolarHBondContact O-N 3.15Å; E210-D213 PolarHBondContact O-N 2.85Å; D213-E215 VanDerWaalsContact C-N 3.31Å; D213-K216 PolarHBondContact O-N 2.76Å; D213-N217 PolarHBondContact O-N 2.97Å; D213-N217 VanDerWaalsContact O-N 3.09Å; D213-N217 PolarHBondContact O-ND2 2.86Å |
| 214 | T | 94.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.4 | -33.4 | 174.5 | 57 | 0 | 0 | 0 | 0 | 111.2 | V186 Y187 S190 E210 I211 Y218 R343 | V186-T214 WeakPolarHBondContact CG1-O 3.41Å; Y187-T214 HydrophobicContact CD2-CG2 4.24Å; S190-T214 PolarHBondContact OG-N 2.9Å; E210-T214 HydrophobicContact CG-CG2 4.09Å; E210-T214 VanDerWaalsContact O-CB 3.29Å; E210-T214 WeakPolarHBondContact O-CB 3.49Å; E210-T214 VanDerWaalsContact O-CG2 3.27Å; E210-T214 WeakPolarHBondContact O-CG2 3.43Å; E210-T214 PolarHBondContact O-N 3.01Å; E210-T214 PolarHBondContact O-OG1 3.3Å; I211-T214 PolarHBondContact O-OG1 3.19Å; T214-Y218 WeakPolarHBondContact O-CB 3.32Å; T214-Y218 PolarHBondContact O-N 3.04Å; T214-R343 VanDerWaalsContact CB-NH1 3.3Å; T214-R343 PolarHBondContact OG1-NH1 2.85Å; T214-R343 PolarHBondContact OG1-NH2 3.47Å |
| 215 | E | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -44.4 | 173.8 | -171.5 | 62.4 | -157.7 | 0 | 0 | 111.5 | I211 V212 D213 N217 Y218 V219 H256 F259 L260 L263 R343 Y347 | I211-E215 VanDerWaalsContact O-CB 3.29Å; I211-E215 WeakPolarHBondContact O-CB 3.37Å; I211-E215 PolarHBondContact O-N 2.8Å; I211-E215 VanDerWaalsContact O-N 3.11Å; V212-E215 WeakPolarHBondContact O-CB 3.33Å; V212-E215 PolarHBondContact O-N 3.28Å; D213-E215 VanDerWaalsContact C-N 3.31Å; E215-N217 VanDerWaalsContact C-N 3.32Å; E215-N217 PolarHBondContact O-N 2.94Å; E215-Y218 WeakPolarHBondContact O-CB 3.39Å; E215-Y218 PolarHBondContact O-N 2.62Å; E215-Y218 VanDerWaalsContact O-N 3.16Å; E215-V219 WeakPolarHBondContact O-CG2 3.47Å; E215-V219 PolarHBondContact O-N 3.16Å; E215-H256 WeakPolarHBondContact OE1-CB 3.37Å; E215-H256 IonicContact OE1-CE1 3.82Å; E215-H256 IonicContact OE1-CG 2.81Å; E215-H256 IonicContact OE1-ND1 3.08Å; E215-H256 PolarHBondContact OE1-ND1 3.39Å; E215-F259 HydrophobicContact CG-CD1 4.04Å; E215-F259 HydrophobicContact CG-CE1 4.31Å; E215-F259 WeakPolarHBondContact OE1-CD1 3.41Å; E215-L260 HydrophobicContact CB-CD1 4.12Å; E215-L260 HydrophobicContact CG-CB 4Å; E215-L260 HydrophobicContact CG-CD1 4.02Å; E215-L263 HydrophobicContact CB-CD1 4.04Å; E215-L263 HydrophobicContact CG-CD1 3.92Å; E215-R343 VanDerWaalsContact CA-NH2 3.26Å; E215-R343 VanDerWaalsContact N-NH2 3.11Å; E215-R343 IonicContact OE2-CZ 2.72Å; E215-R343 IonicContact OE2-NE 3.01Å; E215-R343 PolarHBondContact OE2-NE 3.11Å; E215-R343 VanDerWaalsContact OE2-NE 3.11Å; E215-R343 IonicContact OE2-NH2 2.79Å; E215-R343 PolarHBondContact OE2-NH2 3.49Å; E215-Y347 PolarHBondContact OE1-OH 2.96Å; E215-Y347 WeakPolarHBondContact OE2-CE1 3.46Å; E215-Y347 PolarHBondContact OE2-OH 2.8Å |
| 216 | K | 95 | Very high | 94.3 | Very high | 90 Ų | 90 | 28.4 Ų | 28.4 | 39% | 0.391 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -58.2 | -45 | 177.2 | -176.7 | 176.5 | -178.8 | 174.4 | 0 | 112 | V212 D213 Y218 V219 D220 L260 | V212-K216 WeakPolarHBondContact O-CB 3.44Å; V212-K216 PolarHBondContact O-N 3.39Å; D213-K216 PolarHBondContact O-N 2.76Å; K216-Y218 VanDerWaalsContact C-N 3.35Å; K216-V219 PolarHBondContact O-N 3.11Å; K216-D220 PolarHBondContact O-N 2.91Å; K216-L260 HydrophobicContact CB-CD1 4.08Å; K216-L260 HydrophobicContact CB-CD2 4.22Å; K216-L260 HydrophobicContact CG-CD2 4.35Å |
| 217 | N | 92.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67 | -38.7 | 176.5 | -70.8 | -26.2 | 0 | 0 | 0 | 112.5 | V186 G189 S190 D213 E215 V219 D220 V221 | V186-N217 HydrophobicContact CG1-CB 4.44Å; V186-N217 PolarHBondContact O-ND2 3.15Å; G189-N217 PolarHBondContact O-ND2 3.42Å; S190-N217 WeakPolarHBondContact CA-ND2 3.25Å; S190-N217 WeakPolarHBondContact CB-ND2 3.43Å; S190-N217 PolarHBondContact N-ND2 2.8Å; S190-N217 PolarHBondContact OG-ND2 3.26Å; D213-N217 PolarHBondContact O-N 2.97Å; D213-N217 VanDerWaalsContact O-N 3.09Å; D213-N217 PolarHBondContact O-ND2 2.86Å; E215-N217 VanDerWaalsContact C-N 3.32Å; E215-N217 PolarHBondContact O-N 2.94Å; N217-V219 VanDerWaalsContact C-N 3.35Å; N217-D220 CarbonylContact O-C 3.56Å; N217-D220 WeakPolarHBondContact O-CB 3.31Å; N217-D220 PolarHBondContact O-N 3.06Å; N217-V221 VanDerWaalsContact O-CG2 3.26Å; N217-V221 WeakPolarHBondContact O-CG2 3.45Å; N217-V221 PolarHBondContact O-N 3.41Å |
| 218 | Y | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.3 | 178.8 | -118.6 | 0 | 0 | 0 | 111.9 | T214 E215 K216 D220 V221 L222 H256 Y290 I339 P340 R343 | T214-Y218 WeakPolarHBondContact O-CB 3.32Å; T214-Y218 PolarHBondContact O-N 3.04Å; E215-Y218 WeakPolarHBondContact O-CB 3.39Å; E215-Y218 PolarHBondContact O-N 2.62Å; E215-Y218 VanDerWaalsContact O-N 3.16Å; K216-Y218 VanDerWaalsContact C-N 3.35Å; Y218-D220 VanDerWaalsContact C-N 3.34Å; Y218-D220 PolarHBondContact O-N 3.25Å; Y218-V221 WeakPolarHBondContact O-CB 3.35Å; Y218-V221 PolarHBondContact O-N 3.4Å; Y218-V221 VanDerWaalsContact O-N 3.15Å; Y218-L222 HydrophobicContact CD1-CD1 4.15Å; Y218-L222 HydrophobicContact CE1-CD1 3.59Å; Y218-L222 HydrophobicContact CE1-CG 4.25Å; Y218-L222 HydrophobicContact CE2-CD1 4.26Å; Y218-L222 HydrophobicContact CE2-CD2 4.17Å; Y218-L222 HydrophobicContact CE2-CG 4.03Å; Y218-L222 WeakPolarHBondContact O-CG 3.35Å; Y218-L222 PolarHBondContact O-N 3.06Å; Y218-H256 HydrophobicContact CD1-CB 4.38Å; Y218-H256 AromaticContact CD1-CG 3.95Å; Y218-H256 AromaticContact CD1-ND1 3.77Å; Y218-H256 HydrophobicContact CE1-CB 4.29Å; Y218-H256 AromaticContact CE1-CD2 3.67Å; Y218-H256 AromaticContact CE1-CE1 3.71Å; Y218-H256 AromaticContact CE1-CG 3.55Å; Y218-H256 AromaticContact CE1-ND1 3.57Å; Y218-H256 AromaticContact CE1-NE2 3.76Å; Y218-Y290 WeakPolarHBondContact CE1-OH 3.49Å; Y218-Y290 PolarHBondContact OH-OH 3.37Å; Y218-I339 HydrophobicContact CD2-CG2 3.99Å; Y218-I339 HydrophobicContact CE2-CG2 4.02Å; Y218-P340 HydrophobicContact CE2-CB 4.34Å; Y218-P340 HydrophobicContact CE2-CG 4.22Å; Y218-P340 VanDerWaalsContact OH-CA 3.23Å; Y218-P340 WeakPolarHBondContact OH-CA 3.26Å; Y218-P340 WeakPolarHBondContact OH-CB 3.47Å; Y218-R343 HydrophobicContact CD1-CB 4.33Å; Y218-R343 HydrophobicContact CD1-CG 3.59Å; Y218-R343 HydrophobicContact CD2-CB 3.96Å; Y218-R343 HydrophobicContact CD2-CG 4Å; Y218-R343 HydrophobicContact CE1-CB 4.15Å; Y218-R343 HydrophobicContact CE1-CG 3.72Å; Y218-R343 HydrophobicContact CE2-CB 3.84Å; Y218-R343 HydrophobicContact CE2-CG 4.19Å; Y218-R343 HydrophobicContact CG-CB 4.21Å; Y218-R343 HydrophobicContact CG-CG 3.71Å |
| 219 | V | 97.1 | Very high | 94.9 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 7% | 0.067 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 172.2 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | E215 K216 N217 V221 L222 K223 H256 L260 | E215-V219 WeakPolarHBondContact O-CG2 3.47Å; E215-V219 PolarHBondContact O-N 3.16Å; K216-V219 PolarHBondContact O-N 3.11Å; N217-V219 VanDerWaalsContact C-N 3.35Å; V219-V221 VanDerWaalsContact C-N 3.3Å; V219-V221 PolarHBondContact O-N 2.81Å; V219-L222 PolarHBondContact O-N 3.5Å; V219-K223 WeakPolarHBondContact O-CB 3.38Å; V219-K223 PolarHBondContact O-N 2.8Å; V219-H256 HydrophobicContact CG2-CB 3.82Å; V219-H256 WeakPolarHBondContact CG2-O 3.45Å; V219-L260 HydrophobicContact CB-CD2 4.16Å; V219-L260 HydrophobicContact CG1-CD2 4.35Å; V219-L260 HydrophobicContact CG2-CB 4.18Å; V219-L260 HydrophobicContact CG2-CD2 4.03Å |
| 220 | D | 94.3 | Very high | 95.3 | Very high | 52 Ų | 52 | 28.9 Ų | 28.9 | 28% | 0.278 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.4 | -35.7 | 175.3 | -79.5 | -11.6 | 0 | 0 | 0 | 112 | R193 K216 N217 Y218 M224 | R193-D220 IonicContact CZ-OD2 2.7Å; R193-D220 IonicContact NH1-OD2 3.88Å; R193-D220 IonicContact NH2-OD2 3.23Å; R193-D220 PolarHBondContact NH2-OD2 3.27Å; K216-D220 PolarHBondContact O-N 2.91Å; N217-D220 CarbonylContact O-C 3.56Å; N217-D220 WeakPolarHBondContact O-CB 3.31Å; N217-D220 PolarHBondContact O-N 3.06Å; Y218-D220 VanDerWaalsContact C-N 3.34Å; Y218-D220 PolarHBondContact O-N 3.25Å; D220-M224 VanDerWaalsContact O-CB 3.25Å; D220-M224 WeakPolarHBondContact O-CB 3.32Å; D220-M224 PolarHBondContact O-N 3.49Å |
| 221 | V | 94.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.5 | -47.6 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | V185 N217 Y218 V219 K223 M224 L225 Y328 I339 | V185-V221 HydrophobicContact CG1-CG1 4.43Å; V185-V221 HydrophobicContact CG1-CG2 3.51Å; N217-V221 VanDerWaalsContact O-CG2 3.26Å; N217-V221 WeakPolarHBondContact O-CG2 3.45Å; N217-V221 PolarHBondContact O-N 3.41Å; Y218-V221 WeakPolarHBondContact O-CB 3.35Å; Y218-V221 PolarHBondContact O-N 3.4Å; Y218-V221 VanDerWaalsContact O-N 3.15Å; V219-V221 VanDerWaalsContact C-N 3.3Å; V219-V221 PolarHBondContact O-N 2.81Å; V221-K223 VanDerWaalsContact C-N 3.31Å; V221-K223 PolarHBondContact O-N 3.03Å; V221-M224 HydrophobicContact CG1-CE 4.47Å; V221-M224 WeakPolarHBondContact O-CB 3.27Å; V221-M224 PolarHBondContact O-N 2.63Å; V221-M224 VanDerWaalsContact O-N 3.13Å; V221-L225 PolarHBondContact O-N 3.38Å; V221-Y328 HydrophobicContact CG2-CE2 3.91Å; V221-I339 HydrophobicContact CG1-CD1 3.9Å; V221-I339 HydrophobicContact CG1-CG2 4.4Å |
| 222 | L | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.2 | -69.6 | 177 | 0 | 0 | 0 | 111.3 | Y218 V219 M224 L225 I226 I249 L252 H253 H256 P340 | Y218-L222 HydrophobicContact CD1-CD1 4.15Å; Y218-L222 HydrophobicContact CE1-CD1 3.59Å; Y218-L222 HydrophobicContact CE1-CG 4.25Å; Y218-L222 HydrophobicContact CE2-CD1 4.26Å; Y218-L222 HydrophobicContact CE2-CD2 4.17Å; Y218-L222 HydrophobicContact CE2-CG 4.03Å; Y218-L222 WeakPolarHBondContact O-CG 3.35Å; Y218-L222 PolarHBondContact O-N 3.06Å; V219-L222 PolarHBondContact O-N 3.5Å; L222-M224 VanDerWaalsContact C-N 3.33Å; L222-M224 PolarHBondContact O-N 3.43Å; L222-L225 WeakPolarHBondContact O-CB 3.43Å; L222-L225 PolarHBondContact O-N 3.39Å; L222-I226 WeakPolarHBondContact O-CG1 3.25Å; L222-I226 PolarHBondContact O-N 2.77Å; L222-I226 VanDerWaalsContact O-N 3.14Å; L222-I249 HydrophobicContact CD2-CG2 4.47Å; L222-L252 HydrophobicContact CD1-CB 4.21Å; L222-L252 HydrophobicContact CD2-CB 4.42Å; L222-H253 HydrophobicContact CB-CB 4Å; L222-H253 HydrophobicContact CD1-CB 4.43Å; L222-H256 HydrophobicContact CD1-CB 4.14Å; L222-P340 HydrophobicContact CD2-CG 4.1Å |
| 223 | K | 95.8 | Very high | 95.6 | Very high | 85 Ų | 85 | 32 Ų | 32 | 37% | 0.37 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.5 | -42.1 | 173.8 | -176.1 | 178.8 | 175.8 | -176.7 | 0 | 111.9 | V219 V221 I226 E227 | V219-K223 WeakPolarHBondContact O-CB 3.38Å; V219-K223 PolarHBondContact O-N 2.8Å; V221-K223 VanDerWaalsContact C-N 3.31Å; V221-K223 PolarHBondContact O-N 3.03Å; K223-I226 PolarHBondContact O-N 3.09Å; K223-E227 WeakPolarHBondContact CE-OE1 3.28Å; K223-E227 VanDerWaalsContact CE-OE2 3.29Å; K223-E227 WeakPolarHBondContact CE-OE2 3.27Å; K223-E227 HydrophobicContact CG-CG 4.24Å; K223-E227 IonicContact NZ-OE1 3.07Å; K223-E227 WeakPolarHBondContact O-CB 3.43Å; K223-E227 PolarHBondContact O-N 3.4Å |
| 224 | M | 95 | Very high | 95.7 | Very high | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 176.2 | 177.9 | -74.2 | -67.4 | 0 | 0 | 111.3 | D220 V221 L222 I226 E227 K228 Y229 Y328 L336 | D220-M224 VanDerWaalsContact O-CB 3.25Å; D220-M224 WeakPolarHBondContact O-CB 3.32Å; D220-M224 PolarHBondContact O-N 3.49Å; V221-M224 HydrophobicContact CG1-CE 4.47Å; V221-M224 WeakPolarHBondContact O-CB 3.27Å; V221-M224 PolarHBondContact O-N 2.63Å; V221-M224 VanDerWaalsContact O-N 3.13Å; L222-M224 VanDerWaalsContact C-N 3.33Å; L222-M224 PolarHBondContact O-N 3.43Å; M224-I226 PolarHBondContact O-N 3.43Å; M224-E227 PolarHBondContact O-N 2.72Å; M224-K228 HydrophobicContact CG-CB 4.27Å; M224-K228 HydrophobicContact CG-CG 4.02Å; M224-K228 WeakPolarHBondContact O-CA 3.32Å; M224-K228 VanDerWaalsContact O-CB 3.26Å; M224-K228 WeakPolarHBondContact O-CB 3.5Å; M224-K228 PolarHBondContact O-N 3.31Å; M224-K228 HydrophobicContact SD-CB 4.21Å; M224-Y229 HydrophobicContact CE-CE2 4.29Å; M224-Y229 HydrophobicContact SD-CD2 3.75Å; M224-Y229 HydrophobicContact SD-CE2 3.49Å; M224-Y229 WeakPolarHBondContact SD-CE2 3.27Å; M224-Y328 HydrophobicContact CE-CD2 3.7Å; M224-Y328 HydrophobicContact CE-CE2 4.4Å; M224-Y328 HydrophobicContact CE-CG 4.46Å; M224-Y328 HydrophobicContact CG-CD2 4.31Å; M224-L336 HydrophobicContact CE-CD1 3.93Å |
| 225 | L | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -57.9 | -38.6 | 174.4 | -71.7 | 172.5 | 0 | 0 | 0 | 111.8 | V221 L222 Y229 K230 I249 L333 L336 L337 | V221-L225 PolarHBondContact O-N 3.38Å; L222-L225 WeakPolarHBondContact O-CB 3.43Å; L222-L225 PolarHBondContact O-N 3.39Å; L225-Y229 HydrophobicContact CD2-CD2 4.23Å; L225-Y229 WeakPolarHBondContact O-CB 3.38Å; L225-Y229 PolarHBondContact O-N 2.85Å; L225-K230 PolarHBondContact O-N 3.38Å; L225-I249 HydrophobicContact CB-CG2 3.98Å; L225-I249 HydrophobicContact CD1-CD1 4.34Å; L225-I249 HydrophobicContact CD1-CG2 4.35Å; L225-L333 HydrophobicContact CD2-CD1 3.93Å; L225-L336 HydrophobicContact CD2-CB 4.02Å; L225-L336 HydrophobicContact CD2-CD1 4.48Å; L225-L337 HydrophobicContact CD1-CD2 4.48Å |
| 226 | I | 97 | Very high | 95.6 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 8% | 0.077 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -71 | -54.7 | 176.9 | -63.8 | 164.3 | 0 | 0 | 0 | 111.1 | L222 K223 M224 K230 H231 I249 E250 H253 | L222-I226 WeakPolarHBondContact O-CG1 3.25Å; L222-I226 PolarHBondContact O-N 2.77Å; L222-I226 VanDerWaalsContact O-N 3.14Å; K223-I226 PolarHBondContact O-N 3.09Å; M224-I226 PolarHBondContact O-N 3.43Å; I226-K230 WeakPolarHBondContact O-CB 3.34Å; I226-K230 PolarHBondContact O-N 3.3Å; I226-H231 VanDerWaalsContact CG2-CE1 3.47Å; I226-H231 WeakPolarHBondContact CG2-CE1 3.33Å; I226-H231 PolarHBondContact O-N 2.7Å; I226-I249 HydrophobicContact CD1-CG2 4.47Å; I226-I249 HydrophobicContact CG1-CG2 3.95Å; I226-E250 HydrophobicContact CD1-CG 3.96Å; I226-E250 HydrophobicContact CG1-CG 4.11Å; I226-H253 HydrophobicContact CD1-CB 3.59Å |
| 227 | E | 95.4 | Very high | 95.6 | Very high | 93 Ų | 93 | 36.7 Ų | 36.7 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -78.8 | -31.9 | -169.7 | -69.1 | -177 | 167.1 | 0 | 0 | 114.2 | K223 M224 P232 | K223-E227 WeakPolarHBondContact CE-OE1 3.28Å; K223-E227 VanDerWaalsContact CE-OE2 3.29Å; K223-E227 WeakPolarHBondContact CE-OE2 3.27Å; K223-E227 HydrophobicContact CG-CG 4.24Å; K223-E227 IonicContact NZ-OE1 3.07Å; K223-E227 WeakPolarHBondContact O-CB 3.43Å; K223-E227 PolarHBondContact O-N 3.4Å; M224-E227 PolarHBondContact O-N 2.72Å; E227-P232 VanDerWaalsContact O-CD 3.31Å; E227-P232 WeakPolarHBondContact O-CD 3.48Å; E227-P232 WeakPolarHBondContact O-CG 3.29Å |
| 228 | K | 94 | Very high | 95.8 | Very high | 96 Ų | 96 | 39.2 Ų | 39.2 | 42% | 0.417 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -101.7 | -20.8 | -175.2 | -59 | -61.8 | -174.8 | 173.3 | 0 | 113.6 | M224 P232 C321 | M224-K228 HydrophobicContact CG-CB 4.27Å; M224-K228 HydrophobicContact CG-CG 4.02Å; M224-K228 WeakPolarHBondContact O-CA 3.32Å; M224-K228 VanDerWaalsContact O-CB 3.26Å; M224-K228 WeakPolarHBondContact O-CB 3.5Å; M224-K228 PolarHBondContact O-N 3.31Å; M224-K228 HydrophobicContact SD-CB 4.21Å; K228-P232 WeakPolarHBondContact O-CG 3.42Å; K228-C321 VanDerWaalsContact O-CB 3.29Å; K228-C321 WeakPolarHBondContact O-CB 3.29Å |
| 229 | Y | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -116.5 | -63.1 | 176.1 | -66.6 | -93.2 | 0 | 0 | 0 | 112.7 | M224 L225 H231 P232 L233 C321 Q322 S325 L333 L336 | M224-Y229 HydrophobicContact CE-CE2 4.29Å; M224-Y229 HydrophobicContact SD-CD2 3.75Å; M224-Y229 HydrophobicContact SD-CE2 3.49Å; M224-Y229 WeakPolarHBondContact SD-CE2 3.27Å; L225-Y229 HydrophobicContact CD2-CD2 4.23Å; L225-Y229 WeakPolarHBondContact O-CB 3.38Å; L225-Y229 PolarHBondContact O-N 2.85Å; Y229-H231 PolarHBondContact O-N 3.46Å; Y229-P232 VanDerWaalsContact O-CD 3.31Å; Y229-P232 WeakPolarHBondContact O-CD 3.11Å; Y229-L233 VanDerWaalsContact O-CB 3.24Å; Y229-L233 WeakPolarHBondContact O-CB 3.43Å; Y229-L233 WeakPolarHBondContact O-CD1 3.27Å; Y229-L233 WeakPolarHBondContact O-CG 3.46Å; Y229-L233 PolarHBondContact O-N 3Å; Y229-L233 VanDerWaalsContact O-N 3.08Å; Y229-C321 HydrophobicContact CD1-CB 3.62Å; Y229-C321 HydrophobicContact CE1-CB 3.83Å; Y229-C321 HydrophobicContact CG-CB 4.25Å; Y229-Q322 HydrophobicContact CE1-CB 4.36Å; Y229-Q322 VanDerWaalsContact OH-CA 3.3Å; Y229-Q322 WeakPolarHBondContact OH-CA 3.41Å; Y229-S325 PolarHBondContact OH-OG 2.87Å; Y229-L333 HydrophobicContact CD1-CB 4.18Å; Y229-L333 HydrophobicContact CD1-CD1 3.73Å; Y229-L333 HydrophobicContact CD1-CD2 3.97Å; Y229-L333 HydrophobicContact CD1-CG 4.17Å; Y229-L333 HydrophobicContact CD2-CD1 4.33Å; Y229-L333 HydrophobicContact CE1-CB 3.88Å; Y229-L333 HydrophobicContact CE1-CD1 4.06Å; Y229-L333 HydrophobicContact CE1-CD2 4.49Å; Y229-L333 HydrophobicContact CE1-CG 4.35Å; Y229-L333 HydrophobicContact CG-CD1 3.85Å; Y229-L336 HydrophobicContact CE2-CD1 3.97Å; Y229-L336 WeakPolarHBondContact OH-CD1 3.45Å |
| 230 | K | 97 | Very high | 95.7 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -55 | -58.8 | -174.7 | -171.3 | -176.9 | -178.5 | 179.7 | 0 | 111.6 | L225 I226 L233 I234 I242 F246 E250 | L225-K230 PolarHBondContact O-N 3.38Å; I226-K230 WeakPolarHBondContact O-CB 3.34Å; I226-K230 PolarHBondContact O-N 3.3Å; K230-L233 PolarHBondContact O-N 2.93Å; K230-I234 WeakPolarHBondContact O-CG1 3.39Å; K230-I234 PolarHBondContact O-N 3.49Å; K230-I242 HydrophobicContact CG-CG2 4.17Å; K230-F246 HydrophobicContact CB-CB 4.45Å; K230-F246 HydrophobicContact CB-CD1 4.03Å; K230-F246 HydrophobicContact CB-CD2 4.06Å; K230-F246 HydrophobicContact CB-CE1 4.29Å; K230-F246 HydrophobicContact CB-CE2 4.32Å; K230-F246 HydrophobicContact CB-CG 3.92Å; K230-F246 HydrophobicContact CB-CZ 4.44Å; K230-F246 HydrophobicContact CD-CB 3.88Å; K230-F246 HydrophobicContact CD-CG 4.28Å; K230-F246 HydrophobicContact CG-CB 4.04Å; K230-F246 HydrophobicContact CG-CD2 3.94Å; K230-F246 HydrophobicContact CG-CG 3.91Å; K230-E250 HydrophobicContact CD-CG 4.36Å; K230-E250 WeakPolarHBondContact CD-OE1 3.25Å; K230-E250 WeakPolarHBondContact CE-OE1 3.39Å; K230-E250 IonicContact NZ-OE1 2.74Å; K230-E250 PolarHBondContact NZ-OE1 3.28Å; K230-E250 IonicContact NZ-OE2 3.33Å; K230-E250 PolarHBondContact NZ-OE2 3.4Å |
| 231 | H | 96.6 | Very high | 95.9 | Very high | 95 Ų | 95 | 49.2 Ų | 49.2 | 44% | 0.44 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | -177.1 | -58.7 | 157.2 | 0 | 0 | 0 | 113.6 | I226 Y229 L233 I234 | I226-H231 VanDerWaalsContact CG2-CE1 3.47Å; I226-H231 WeakPolarHBondContact CG2-CE1 3.33Å; I226-H231 PolarHBondContact O-N 2.7Å; Y229-H231 PolarHBondContact O-N 3.46Å; H231-L233 PolarHBondContact O-N 3.18Å; H231-I234 WeakPolarHBondContact O-CB 3.41Å; H231-I234 PolarHBondContact O-N 3.38Å |
| 232 | P | 95.8 | Very high | 96 | Very high | 49 Ų | 49 | 49.5 Ų | 49.5 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.6 | -16.7 | -179.5 | -24.7 | 38.8 | 0 | 0 | 0 | 114.9 | E227 K228 Y229 K317 | E227-P232 VanDerWaalsContact O-CD 3.31Å; E227-P232 WeakPolarHBondContact O-CD 3.48Å; E227-P232 WeakPolarHBondContact O-CG 3.29Å; K228-P232 WeakPolarHBondContact O-CG 3.42Å; Y229-P232 VanDerWaalsContact O-CD 3.31Å; Y229-P232 WeakPolarHBondContact O-CD 3.11Å; P232-K317 VanDerWaalsContact O-CE 3.28Å; P232-K317 WeakPolarHBondContact O-CE 3.41Å |
| 233 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -89.6 | -12.7 | 175.5 | -67.7 | 171.8 | 0 | 0 | 0 | 112.9 | Y229 K230 H231 G235 V236 L237 I242 F246 K317 I318 L333 | Y229-L233 VanDerWaalsContact O-CB 3.24Å; Y229-L233 WeakPolarHBondContact O-CB 3.43Å; Y229-L233 WeakPolarHBondContact O-CD1 3.27Å; Y229-L233 WeakPolarHBondContact O-CG 3.46Å; Y229-L233 PolarHBondContact O-N 3Å; Y229-L233 VanDerWaalsContact O-N 3.08Å; K230-L233 PolarHBondContact O-N 2.93Å; H231-L233 PolarHBondContact O-N 3.18Å; L233-G235 PolarHBondContact O-N 3.22Å; L233-V236 PolarHBondContact O-N 2.74Å; L233-L237 HydrophobicContact CB-CD1 4.11Å; L233-L237 HydrophobicContact CB-CG 4.16Å; L233-L237 HydrophobicContact CD1-CD1 4.05Å; L233-L237 HydrophobicContact CD2-CG 4.42Å; L233-L237 HydrophobicContact CG-CD1 4.46Å; L233-L237 PolarHBondContact O-N 3.24Å; L233-I242 HydrophobicContact CB-CD1 3.7Å; L233-F246 HydrophobicContact CD1-CE2 4.17Å; L233-F246 HydrophobicContact CD1-CZ 4.12Å; L233-K317 HydrophobicContact CD2-CB 4.3Å; L233-K317 HydrophobicContact CD2-CG 3.74Å; L233-I318 HydrophobicContact CD1-CG1 4.19Å; L233-I318 HydrophobicContact CD2-CG1 3.8Å; L233-L333 HydrophobicContact CD1-CD2 4.47Å |
| 234 | I | 95.3 | Very high | 96 | Very high | 106 Ų | 106 | 51 Ų | 51 | 54% | 0.544 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -59.8 | 127 | 170.7 | -66.6 | 170.4 | 0 | 0 | 0 | 109.1 | K230 H231 V236 | K230-I234 WeakPolarHBondContact O-CG1 3.39Å; K230-I234 PolarHBondContact O-N 3.49Å; H231-I234 WeakPolarHBondContact O-CB 3.41Å; H231-I234 PolarHBondContact O-N 3.38Å; I234-V236 VanDerWaalsContact C-N 3.28Å |
| 235 | G | 92.1 | Very high | 96.2 | Very high | 77 Ų | 77 | 50.3 Ų | 50.3 | 79% | 0.794 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -11.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L233 | L233-G235 PolarHBondContact O-N 3.22Š|
| 236 | V | 95.8 | Very high | 96.2 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -47.6 | 170.5 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | L233 I234 K314 K317 | L233-V236 PolarHBondContact O-N 2.74Å; I234-V236 VanDerWaalsContact C-N 3.28Å; V236-K314 HydrophobicContact CG1-CG 4.25Å; V236-K317 HydrophobicContact CB-CG 4.26Å; V236-K317 HydrophobicContact CG1-CB 3.87Å; V236-K317 HydrophobicContact CG1-CG 3.96Å; V236-K317 HydrophobicContact CG2-CD 4.26Å; V236-K317 HydrophobicContact CG2-CG 3.97Å |
| 237 | L | 96.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -87.1 | 150 | 168 | -57.5 | -173.6 | 0 | 0 | 0 | 109.6 | L233 E241 I242 I245 I307 K314 | L233-L237 HydrophobicContact CB-CD1 4.11Å; L233-L237 HydrophobicContact CB-CG 4.16Å; L233-L237 HydrophobicContact CD1-CD1 4.05Å; L233-L237 HydrophobicContact CD2-CG 4.42Å; L233-L237 HydrophobicContact CG-CD1 4.46Å; L233-L237 PolarHBondContact O-N 3.24Å; L237-E241 HydrophobicContact CB-CB 4.06Å; L237-I242 HydrophobicContact CB-CD1 3.82Å; L237-I242 HydrophobicContact CB-CG1 3.83Å; L237-I242 HydrophobicContact CD1-CD1 3.93Å; L237-I242 HydrophobicContact CG-CD1 4.27Å; L237-I245 HydrophobicContact CD1-CD1 3.85Å; L237-I307 HydrophobicContact CD2-CD1 4.2Å; L237-I307 HydrophobicContact CD2-CG2 4.09Å; L237-K314 HydrophobicContact CD2-CB 3.93Å; L237-K314 HydrophobicContact CD2-CD 3.55Å; L237-K314 HydrophobicContact CD2-CG 3.75Å |
| 238 | S | 96 | Very high | 96.3 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | trans | -63.9 | 158.6 | 171.1 | 67.7 | 0 | 0 | 0 | 0 | 110.7 | N240 E241 I242 | S238-N240 VanDerWaalsContact C-N 3.28Å; S238-N240 PolarHBondContact O-N 2.83Å; S238-E241 WeakPolarHBondContact CB-OE2 3.35Å; S238-E241 PolarHBondContact N-OE2 3.2Å; S238-E241 PolarHBondContact O-N 3.11Å; S238-E241 VanDerWaalsContact O-N 3.12Å; S238-E241 WeakPolarHBondContact OG-CB 3.29Å; S238-E241 VanDerWaalsContact OG-CD 3.22Å; S238-E241 WeakPolarHBondContact OG-CG 3.35Å; S238-E241 PolarHBondContact OG-N 2.91Å; S238-E241 PolarHBondContact OG-OE2 2.84Å; S238-I242 PolarHBondContact O-N 3.47Å | ||
| 239 | H | 95 | Very high | 96.4 | Very high | 145 Ų | 145 | 46.7 Ų | 46.7 | 67% | 0.671 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.3 | -42.8 | 178.8 | -177.6 | 44 | 0 | 0 | 0 | 112 | E241 I242 E243 | H239-E241 PolarHBondContact O-N 3.29Å; H239-I242 PolarHBondContact O-N 3.42Å; H239-E243 IonicContact CE1-OE1 3.98Å; H239-E243 PolarHBondContact CE1-OE1 3.38Å; H239-E243 IonicContact ND1-OE1 2.88Å; H239-E243 WeakPolarHBondContact O-CG 3.29Å; H239-E243 PolarHBondContact O-N 3.42Å |
| 240 | N | 96.2 | Very high | 96.4 | Very high | 99 Ų | 99 | 50.4 Ų | 50.4 | 53% | 0.529 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176 | -170.3 | 85.8 | 0 | 0 | 0 | 111.9 | S238 I242 E243 E244 | S238-N240 VanDerWaalsContact C-N 3.28Å; S238-N240 PolarHBondContact O-N 2.83Å; N240-I242 PolarHBondContact O-N 3.05Å; N240-E243 PolarHBondContact O-N 3.18Å; N240-E244 WeakPolarHBondContact O-CB 3.46Å; N240-E244 VanDerWaalsContact O-CG 3.26Å; N240-E244 WeakPolarHBondContact O-CG 3.5Å; N240-E244 PolarHBondContact O-N 3.3Å |
| 241 | E | 97.6 | Very high | 96.4 | Very high | 29 Ų | 29 | 54.8 Ų | 54.8 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.9 | -71.7 | 163.6 | 141.8 | 0 | 0 | 112.4 | L237 S238 H239 I245 L303 I307 K314 | L237-E241 HydrophobicContact CB-CB 4.06Å; S238-E241 WeakPolarHBondContact CB-OE2 3.35Å; S238-E241 PolarHBondContact N-OE2 3.2Å; S238-E241 PolarHBondContact O-N 3.11Å; S238-E241 VanDerWaalsContact O-N 3.12Å; S238-E241 WeakPolarHBondContact OG-CB 3.29Å; S238-E241 VanDerWaalsContact OG-CD 3.22Å; S238-E241 WeakPolarHBondContact OG-CG 3.35Å; S238-E241 PolarHBondContact OG-N 2.91Å; S238-E241 PolarHBondContact OG-OE2 2.84Å; H239-E241 PolarHBondContact O-N 3.29Å; E241-I245 WeakPolarHBondContact O-CB 3.3Å; E241-I245 WeakPolarHBondContact O-CD1 3.45Å; E241-I245 WeakPolarHBondContact O-CG1 3.29Å; E241-I245 PolarHBondContact O-N 3.46Å; E241-L303 HydrophobicContact CG-CD1 4.48Å; E241-I307 HydrophobicContact CB-CD1 4.26Å; E241-I307 HydrophobicContact CG-CD1 4.06Å; E241-K314 IonicContact OE1-NZ 3.11Å; E241-K314 PolarHBondContact OE1-NZ 3.48Å; E241-K314 IonicContact OE2-NZ 3.84Å; E241-K314 PolarHBondContact OE2-NZ 3.27Å |
| 242 | I | 97.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 175.8 | -68.8 | -70.5 | 0 | 0 | 0 | 111.2 | K230 L233 L237 S238 H239 N240 I245 F246 | K230-I242 HydrophobicContact CG-CG2 4.17Å; L233-I242 HydrophobicContact CB-CD1 3.7Å; L237-I242 HydrophobicContact CB-CD1 3.82Å; L237-I242 HydrophobicContact CB-CG1 3.83Å; L237-I242 HydrophobicContact CD1-CD1 3.93Å; L237-I242 HydrophobicContact CG-CD1 4.27Å; S238-I242 PolarHBondContact O-N 3.47Å; H239-I242 PolarHBondContact O-N 3.42Å; N240-I242 PolarHBondContact O-N 3.05Å; I242-I245 PolarHBondContact O-N 3.43Å; I242-F246 HydrophobicContact CD1-CD2 4.39Å; I242-F246 HydrophobicContact CD1-CE2 4.28Å; I242-F246 HydrophobicContact CG2-CD2 4.39Å; I242-F246 WeakPolarHBondContact O-CD2 3.43Å; I242-F246 PolarHBondContact O-N 2.96Å |
| 243 | E | 95.8 | Very high | 96.6 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -45 | 179.2 | -71.4 | -58.5 | 139.1 | 0 | 0 | 111 | H239 N240 I245 K247 | H239-E243 IonicContact CE1-OE1 3.98Å; H239-E243 PolarHBondContact CE1-OE1 3.38Å; H239-E243 IonicContact ND1-OE1 2.88Å; H239-E243 WeakPolarHBondContact O-CG 3.29Å; H239-E243 PolarHBondContact O-N 3.42Å; N240-E243 PolarHBondContact O-N 3.18Å; E243-I245 PolarHBondContact O-N 3.33Å; E243-K247 WeakPolarHBondContact O-CA 3.4Å; E243-K247 WeakPolarHBondContact O-CB 3.41Å; E243-K247 PolarHBondContact O-N 3.5Å |
| 244 | E | 96.4 | Very high | 96.7 | Very high | 43 Ų | 43 | 54 Ų | 54 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.2 | -32.5 | 179.4 | -67.9 | -58.9 | 130.9 | 0 | 0 | 112.8 | N240 H296 H299 A300 L303 | N240-E244 WeakPolarHBondContact O-CB 3.46Å; N240-E244 VanDerWaalsContact O-CG 3.26Å; N240-E244 WeakPolarHBondContact O-CG 3.5Å; N240-E244 PolarHBondContact O-N 3.3Å; E244-H296 PolarHBondContact O-NE2 3Å; E244-H296 IonicContact OE2-CE1 2.72Å; E244-H296 PolarHBondContact OE2-CE1 3.09Å; E244-H296 IonicContact OE2-NE2 3.88Å; E244-H299 IonicContact OE2-CD2 3.47Å; E244-H299 PolarHBondContact OE2-CD2 3.43Å; E244-H299 IonicContact OE2-NE2 2.72Å; E244-H299 PolarHBondContact OE2-NE2 3.24Å; E244-H299 VanDerWaalsContact OE2-NE2 3.17Å; E244-A300 WeakPolarHBondContact O-CB 3.49Å; E244-L303 HydrophobicContact CB-CD2 3.54Å; E244-L303 HydrophobicContact CG-CD2 4.45Å |
| 245 | I | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -79.3 | -42.6 | 178.9 | -65.5 | 166.9 | 0 | 0 | 0 | 112 | L237 E241 I242 E243 L303 V304 I307 L333 L337 | L237-I245 HydrophobicContact CD1-CD1 3.85Å; E241-I245 WeakPolarHBondContact O-CB 3.3Å; E241-I245 WeakPolarHBondContact O-CD1 3.45Å; E241-I245 WeakPolarHBondContact O-CG1 3.29Å; E241-I245 PolarHBondContact O-N 3.46Å; I242-I245 PolarHBondContact O-N 3.43Å; E243-I245 PolarHBondContact O-N 3.33Å; I245-L303 HydrophobicContact CD1-CD2 4.44Å; I245-L303 HydrophobicContact CD1-CG 4.38Å; I245-L303 HydrophobicContact CG1-CD2 3.95Å; I245-L303 HydrophobicContact CG1-CG 4.19Å; I245-V304 HydrophobicContact CD1-CG2 3.87Å; I245-V304 HydrophobicContact CG1-CG2 4Å; I245-V304 HydrophobicContact CG2-CG2 3.93Å; I245-I307 HydrophobicContact CD1-CD1 3.89Å; I245-L333 HydrophobicContact CG2-CD2 4.44Å; I245-L337 HydrophobicContact CG2-CD1 4.14Å |
| 246 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -110.5 | 8.5 | -168.6 | -60.2 | -78.8 | 0 | 0 | 0 | 114.4 | K230 L233 I242 Y248 I249 L333 | K230-F246 HydrophobicContact CB-CB 4.45Å; K230-F246 HydrophobicContact CB-CD1 4.03Å; K230-F246 HydrophobicContact CB-CD2 4.06Å; K230-F246 HydrophobicContact CB-CE1 4.29Å; K230-F246 HydrophobicContact CB-CE2 4.32Å; K230-F246 HydrophobicContact CB-CG 3.92Å; K230-F246 HydrophobicContact CB-CZ 4.44Å; K230-F246 HydrophobicContact CD-CB 3.88Å; K230-F246 HydrophobicContact CD-CG 4.28Å; K230-F246 HydrophobicContact CG-CB 4.04Å; K230-F246 HydrophobicContact CG-CD2 3.94Å; K230-F246 HydrophobicContact CG-CG 3.91Å; L233-F246 HydrophobicContact CD1-CE2 4.17Å; L233-F246 HydrophobicContact CD1-CZ 4.12Å; I242-F246 HydrophobicContact CD1-CD2 4.39Å; I242-F246 HydrophobicContact CD1-CE2 4.28Å; I242-F246 HydrophobicContact CG2-CD2 4.39Å; I242-F246 WeakPolarHBondContact O-CD2 3.43Å; I242-F246 PolarHBondContact O-N 2.96Å; F246-Y248 VanDerWaalsContact C-N 3.3Å; F246-Y248 PolarHBondContact O-N 2.95Å; F246-I249 HydrophobicContact CB-CG1 4.45Å; F246-I249 HydrophobicContact CD1-CG1 4.31Å; F246-I249 PolarHBondContact O-N 3.48Å; F246-L333 HydrophobicContact CE1-CD1 4.12Å; F246-L333 HydrophobicContact CZ-CD1 4.26Å; F246-L333 HydrophobicContact CZ-CD2 4Å |
| 247 | K | 95.7 | Very high | 97.2 | Very high | 95 Ų | 95 | 52 Ų | 52 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -34.1 | -54.4 | -172.6 | -162.9 | 166.5 | 175.2 | 177.4 | 0 | 115.4 | E243 | E243-K247 WeakPolarHBondContact O-CA 3.4Å; E243-K247 WeakPolarHBondContact O-CB 3.41Å; E243-K247 PolarHBondContact O-N 3.5Å |
| 248 | Y | 97.5 | Very high | 97.2 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 12% | 0.122 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -7.3 | -173 | -59.8 | -80.4 | 0 | 0 | 0 | 114 | F246 E250 E251 L252 I289 E292 Y293 H296 | F246-Y248 VanDerWaalsContact C-N 3.3Å; F246-Y248 PolarHBondContact O-N 2.95Å; Y248-E250 PolarHBondContact O-N 3.13Å; Y248-E251 PolarHBondContact O-N 3.4Å; Y248-L252 WeakPolarHBondContact O-CB 3.46Å; Y248-L252 VanDerWaalsContact O-CG 3.29Å; Y248-L252 WeakPolarHBondContact O-CG 3.47Å; Y248-L252 PolarHBondContact O-N 3.17Å; Y248-I289 HydrophobicContact CD1-CD1 4.05Å; Y248-I289 HydrophobicContact CD1-CG1 4.03Å; Y248-I289 HydrophobicContact CE1-CG1 4.5Å; Y248-E292 HydrophobicContact CE1-CB 3.76Å; Y248-Y293 AromaticContact CD2-CD2 3.93Å; Y248-Y293 HydrophobicContact CD2-CD2 3.93Å; Y248-Y293 HydrophobicContact CG-CD2 4.1Å; Y248-H296 HydrophobicContact CD2-CB 4.09Å; Y248-H296 HydrophobicContact CE2-CB 3.49Å; Y248-H296 VanDerWaalsContact CE2-CB 3.49Å; Y248-H296 AromaticContact CE2-CG 3.62Å |
| 249 | I | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | -169.2 | -60.8 | -60.1 | 0 | 0 | 0 | 111.9 | L222 L225 I226 F246 H253 Y293 L337 | L222-I249 HydrophobicContact CD2-CG2 4.47Å; L225-I249 HydrophobicContact CB-CG2 3.98Å; L225-I249 HydrophobicContact CD1-CD1 4.34Å; L225-I249 HydrophobicContact CD1-CG2 4.35Å; I226-I249 HydrophobicContact CD1-CG2 4.47Å; I226-I249 HydrophobicContact CG1-CG2 3.95Å; F246-I249 HydrophobicContact CB-CG1 4.45Å; F246-I249 HydrophobicContact CD1-CG1 4.31Å; F246-I249 PolarHBondContact O-N 3.48Å; I249-H253 WeakPolarHBondContact O-CB 3.44Å; I249-H253 PolarHBondContact O-N 3.08Å; I249-Y293 HydrophobicContact CD1-CE2 3.87Å; I249-L337 HydrophobicContact CD1-CD2 4Å; I249-L337 HydrophobicContact CG1-CD2 4.31Å |
| 250 | E | 96 | Very high | 97.4 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69 | -38.7 | 177.8 | -78 | 179.8 | 179 | 0 | 0 | 112.9 | I226 K230 Y248 H253 T254 | I226-E250 HydrophobicContact CD1-CG 3.96Å; I226-E250 HydrophobicContact CG1-CG 4.11Å; K230-E250 HydrophobicContact CD-CG 4.36Å; K230-E250 WeakPolarHBondContact CD-OE1 3.25Å; K230-E250 WeakPolarHBondContact CE-OE1 3.39Å; K230-E250 IonicContact NZ-OE1 2.74Å; K230-E250 PolarHBondContact NZ-OE1 3.28Å; K230-E250 IonicContact NZ-OE2 3.33Å; K230-E250 PolarHBondContact NZ-OE2 3.4Å; Y248-E250 PolarHBondContact O-N 3.13Å; E250-H253 PolarHBondContact O-N 3.34Å; E250-T254 PolarHBondContact O-N 3.36Å; E250-T254 PolarHBondContact O-OG1 3.44Å |
| 251 | E | 97.7 | Very high | 97.2 | Very high | 107 Ų | 107 | 47.1 Ų | 47.1 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.8 | -44.7 | 177.7 | -168.5 | 168.6 | 179.6 | 0 | 0 | 110.6 | Y248 H253 T254 I255 I289 | Y248-E251 PolarHBondContact O-N 3.4Å; E251-H253 VanDerWaalsContact C-N 3.34Å; E251-H253 PolarHBondContact O-N 3.25Å; E251-T254 WeakPolarHBondContact O-CB 3.3Å; E251-T254 PolarHBondContact O-N 2.93Å; E251-T254 VanDerWaalsContact O-N 3.1Å; E251-I255 HydrophobicContact CG-CD1 4.14Å; E251-I255 WeakPolarHBondContact O-CG1 3.4Å; E251-I255 PolarHBondContact O-N 2.85Å; E251-I289 HydrophobicContact CB-CD1 3.92Å; E251-I289 HydrophobicContact CG-CD1 3.5Å; E251-I289 WeakPolarHBondContact OE1-CD1 3.45Å; E251-I289 VanDerWaalsContact OE2-CD1 3.25Å; E251-I289 WeakPolarHBondContact OE2-CD1 3.27Å |
| 252 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.4 | -46.8 | 171.2 | -71.8 | 177.4 | 0 | 0 | 0 | 111.4 | L222 Y248 T254 I255 H256 I289 Y290 Y293 P340 | L222-L252 HydrophobicContact CD1-CB 4.21Å; L222-L252 HydrophobicContact CD2-CB 4.42Å; Y248-L252 WeakPolarHBondContact O-CB 3.46Å; Y248-L252 VanDerWaalsContact O-CG 3.29Å; Y248-L252 WeakPolarHBondContact O-CG 3.47Å; Y248-L252 PolarHBondContact O-N 3.17Å; L252-T254 VanDerWaalsContact C-N 3.26Å; L252-T254 PolarHBondContact O-N 3.31Å; L252-I255 PolarHBondContact O-N 3.09Å; L252-H256 WeakPolarHBondContact O-CB 3.44Å; L252-H256 PolarHBondContact O-CD2 3.48Å; L252-H256 PolarHBondContact O-N 2.79Å; L252-I289 HydrophobicContact CD2-CG2 3.71Å; L252-Y290 HydrophobicContact CD1-CE1 4.37Å; L252-Y290 HydrophobicContact CD2-CD1 4.42Å; L252-Y290 HydrophobicContact CD2-CD2 3.93Å; L252-Y290 HydrophobicContact CD2-CE1 4Å; L252-Y290 HydrophobicContact CD2-CE2 3.49Å; L252-Y290 VanDerWaalsContact CD2-CE2 3.49Å; L252-Y290 HydrophobicContact CD2-CG 4.4Å; L252-Y293 HydrophobicContact CD1-CD1 4.37Å; L252-Y293 HydrophobicContact CD1-CD2 4.16Å; L252-Y293 HydrophobicContact CD1-CE2 4.32Å; L252-Y293 HydrophobicContact CD1-CG 4.11Å; L252-P340 HydrophobicContact CD1-CB 4.07Å; L252-P340 HydrophobicContact CD1-CG 4.44Å |
| 253 | H | 98.4 | Very high | 97 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 18% | 0.181 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.9 | -39.6 | 176.9 | 175.6 | -115.7 | 0 | 0 | 0 | 112.1 | L222 I226 I249 E250 E251 R257 | L222-H253 HydrophobicContact CB-CB 4Å; L222-H253 HydrophobicContact CD1-CB 4.43Å; I226-H253 HydrophobicContact CD1-CB 3.59Å; I249-H253 WeakPolarHBondContact O-CB 3.44Å; I249-H253 PolarHBondContact O-N 3.08Å; E250-H253 PolarHBondContact O-N 3.34Å; E251-H253 VanDerWaalsContact C-N 3.34Å; E251-H253 PolarHBondContact O-N 3.25Å; H253-R257 WeakPolarHBondContact O-CB 3.46Å; H253-R257 PolarHBondContact O-N 3.4Å |
| 254 | T | 98 | Very high | 96.8 | Very high | 89 Ų | 89 | 46 Ų | 46 | 55% | 0.546 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.7 | -50.1 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | E250 E251 L252 H256 R257 E258 | E250-T254 PolarHBondContact O-N 3.36Å; E250-T254 PolarHBondContact O-OG1 3.44Å; E251-T254 WeakPolarHBondContact O-CB 3.3Å; E251-T254 PolarHBondContact O-N 2.93Å; E251-T254 VanDerWaalsContact O-N 3.1Å; L252-T254 VanDerWaalsContact C-N 3.26Å; L252-T254 PolarHBondContact O-N 3.31Å; T254-H256 PolarHBondContact O-N 2.82Å; T254-R257 PolarHBondContact O-N 3.42Å; T254-E258 PolarHBondContact O-N 2.99Å |
| 255 | I | 98.3 | Very high | 96.5 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.087 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | 178.7 | -67 | 162.9 | 0 | 0 | 0 | 110.5 | E251 L252 E258 F259 N286 L287 I289 | E251-I255 HydrophobicContact CG-CD1 4.14Å; E251-I255 WeakPolarHBondContact O-CG1 3.4Å; E251-I255 PolarHBondContact O-N 2.85Å; L252-I255 PolarHBondContact O-N 3.09Å; I255-E258 PolarHBondContact O-N 2.91Å; I255-F259 WeakPolarHBondContact O-CB 3.4Å; I255-F259 PolarHBondContact O-N 3.2Å; I255-N286 HydrophobicContact CD1-CB 4.29Å; I255-N286 HydrophobicContact CG1-CB 4.24Å; I255-N286 HydrophobicContact CG2-CB 3.95Å; I255-L287 HydrophobicContact CG2-CD2 4.16Å; I255-I289 HydrophobicContact CD1-CD1 4.48Å; I255-I289 HydrophobicContact CD1-CG2 3.82Å |
| 256 | H | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.2 | -29.5 | -176 | -77.7 | -80.4 | 0 | 0 | 0 | 113.3 | E215 Y218 V219 L222 L252 T254 F259 L260 Y290 Y347 | E215-H256 WeakPolarHBondContact OE1-CB 3.37Å; E215-H256 IonicContact OE1-CE1 3.82Å; E215-H256 IonicContact OE1-CG 2.81Å; E215-H256 IonicContact OE1-ND1 3.08Å; E215-H256 PolarHBondContact OE1-ND1 3.39Å; Y218-H256 HydrophobicContact CD1-CB 4.38Å; Y218-H256 AromaticContact CD1-CG 3.95Å; Y218-H256 AromaticContact CD1-ND1 3.77Å; Y218-H256 HydrophobicContact CE1-CB 4.29Å; Y218-H256 AromaticContact CE1-CD2 3.67Å; Y218-H256 AromaticContact CE1-CE1 3.71Å; Y218-H256 AromaticContact CE1-CG 3.55Å; Y218-H256 AromaticContact CE1-ND1 3.57Å; Y218-H256 AromaticContact CE1-NE2 3.76Å; V219-H256 HydrophobicContact CG2-CB 3.82Å; V219-H256 WeakPolarHBondContact CG2-O 3.45Å; L222-H256 HydrophobicContact CD1-CB 4.14Å; L252-H256 WeakPolarHBondContact O-CB 3.44Å; L252-H256 PolarHBondContact O-CD2 3.48Å; L252-H256 PolarHBondContact O-N 2.79Å; T254-H256 PolarHBondContact O-N 2.82Å; H256-F259 PolarHBondContact O-N 2.9Å; H256-L260 VanDerWaalsContact O-CB 3.3Å; H256-L260 WeakPolarHBondContact O-CB 3.47Å; H256-L260 PolarHBondContact O-N 3.08Å; H256-Y290 PolarHBondContact CD2-OH 3.42Å; H256-Y290 PolarHBondContact CE1-OH 2.85Å; H256-Y290 AromaticContact NE2-CE2 3.34Å; H256-Y290 VanDerWaalsContact NE2-CE2 3.34Å; H256-Y290 WeakPolarHBondContact NE2-CE2 3.5Å; H256-Y290 AromaticContact NE2-CZ 3.44Å; H256-Y290 PolarHBondContact NE2-OH 2.82Å; H256-Y347 AromaticContact CE1-CZ 3.89Å; H256-Y347 PolarHBondContact CE1-OH 3.47Å; H256-Y347 PolarHBondContact ND1-OH 2.78Å |
| 257 | R | 97.6 | Very high | 95.7 | Very high | 169 Ų | 169 | 50.6 Ų | 50.6 | 64% | 0.638 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.9 | -42.8 | 170.8 | -178.8 | -180 | 176.5 | -87.4 | -2.5 | 111.6 | H253 T254 S261 | H253-R257 WeakPolarHBondContact O-CB 3.46Å; H253-R257 PolarHBondContact O-N 3.4Å; T254-R257 PolarHBondContact O-N 3.42Å; R257-S261 WeakPolarHBondContact O-CB 3.31Å; R257-S261 PolarHBondContact O-N 3.11Å |
| 258 | E | 95.5 | Very high | 95.2 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 51% | 0.509 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66 | -44 | 175 | -174.2 | 178.9 | 172.1 | 0 | 0 | 111.2 | T254 I255 L260 S261 N262 | T254-E258 PolarHBondContact O-N 2.99Å; I255-E258 PolarHBondContact O-N 2.91Å; E258-L260 PolarHBondContact O-N 3.27Å; E258-S261 WeakPolarHBondContact O-CB 3.23Å; E258-S261 PolarHBondContact O-N 3.03Å; E258-N262 PolarHBondContact O-N 2.77Å; E258-N262 PolarHBondContact O-ND2 2.86Å |
| 259 | F | 98 | Very high | 94.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 176.6 | -178.6 | -127.4 | 0 | 0 | 0 | 112.1 | E215 I255 H256 S261 N262 L263 V279 F280 T283 Y347 | E215-F259 HydrophobicContact CG-CD1 4.04Å; E215-F259 HydrophobicContact CG-CE1 4.31Å; E215-F259 WeakPolarHBondContact OE1-CD1 3.41Å; I255-F259 WeakPolarHBondContact O-CB 3.4Å; I255-F259 PolarHBondContact O-N 3.2Å; H256-F259 PolarHBondContact O-N 2.9Å; F259-S261 VanDerWaalsContact C-N 3.34Å; F259-S261 PolarHBondContact O-N 3.25Å; F259-N262 PolarHBondContact O-N 3.13Å; F259-L263 HydrophobicContact CD1-CD1 4.1Å; F259-L263 HydrophobicContact CD2-CG 4.36Å; F259-L263 HydrophobicContact CE1-CD1 3.71Å; F259-L263 HydrophobicContact CE1-CG 4.41Å; F259-L263 HydrophobicContact CE2-CD1 4.26Å; F259-L263 HydrophobicContact CE2-CD2 4.2Å; F259-L263 HydrophobicContact CE2-CG 4.09Å; F259-L263 HydrophobicContact CG-CD1 4.5Å; F259-L263 HydrophobicContact CZ-CD1 3.79Å; F259-L263 HydrophobicContact CZ-CD2 4.16Å; F259-L263 HydrophobicContact CZ-CG 4.09Å; F259-L263 WeakPolarHBondContact O-CG 3.37Å; F259-L263 PolarHBondContact O-N 3.42Å; F259-V279 HydrophobicContact CD2-CG1 3.66Å; F259-V279 HydrophobicContact CE2-CG1 3.6Å; F259-F280 HydrophobicContact CE1-CE1 4.47Å; F259-F280 HydrophobicContact CE2-CD1 4.08Å; F259-F280 HydrophobicContact CE2-CE1 4.26Å; F259-F280 HydrophobicContact CE2-CG 4.35Å; F259-F280 AromaticContact CZ-CD1 3.77Å; F259-F280 HydrophobicContact CZ-CD1 3.77Å; F259-F280 AromaticContact CZ-CE1 3.51Å; F259-F280 HydrophobicContact CZ-CE1 3.51Å; F259-F280 HydrophobicContact CZ-CE2 4.46Å; F259-F280 HydrophobicContact CZ-CG 4.39Å; F259-F280 AromaticContact CZ-CZ 3.88Å; F259-F280 HydrophobicContact CZ-CZ 3.88Å; F259-T283 HydrophobicContact CD2-CG2 3.54Å; F259-T283 HydrophobicContact CE2-CG2 3.57Å; F259-T283 HydrophobicContact CG-CG2 4.27Å; F259-T283 HydrophobicContact CZ-CG2 4.36Å; F259-Y347 HydrophobicContact CE1-CD1 4.33Å; F259-Y347 AromaticContact CE1-CE1 3.62Å; F259-Y347 HydrophobicContact CE1-CE1 3.62Å; F259-Y347 AromaticContact CE1-CZ 3.92Å; F259-Y347 HydrophobicContact CZ-CE1 4.29Å |
| 260 | L | 97.2 | Very high | 93.4 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 173.9 | 178.3 | 62.2 | 0 | 0 | 0 | 112.6 | V212 E215 K216 V219 H256 E258 N262 L263 S264 | V212-L260 HydrophobicContact CG1-CD1 4.45Å; E215-L260 HydrophobicContact CB-CD1 4.12Å; E215-L260 HydrophobicContact CG-CB 4Å; E215-L260 HydrophobicContact CG-CD1 4.02Å; K216-L260 HydrophobicContact CB-CD1 4.08Å; K216-L260 HydrophobicContact CB-CD2 4.22Å; K216-L260 HydrophobicContact CG-CD2 4.35Å; V219-L260 HydrophobicContact CB-CD2 4.16Å; V219-L260 HydrophobicContact CG1-CD2 4.35Å; V219-L260 HydrophobicContact CG2-CB 4.18Å; V219-L260 HydrophobicContact CG2-CD2 4.03Å; H256-L260 VanDerWaalsContact O-CB 3.3Å; H256-L260 WeakPolarHBondContact O-CB 3.47Å; H256-L260 PolarHBondContact O-N 3.08Å; E258-L260 PolarHBondContact O-N 3.27Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-L263 PolarHBondContact O-N 2.82Å; L260-S264 WeakPolarHBondContact O-CB 3.27Å; L260-S264 PolarHBondContact O-N 2.83Å; L260-S264 PolarHBondContact O-OG 2.96Å |
| 261 | S | 93.6 | Very high | 92.4 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | R257 E258 F259 S264 L265 | R257-S261 WeakPolarHBondContact O-CB 3.31Å; R257-S261 PolarHBondContact O-N 3.11Å; E258-S261 WeakPolarHBondContact O-CB 3.23Å; E258-S261 PolarHBondContact O-N 3.03Å; F259-S261 VanDerWaalsContact C-N 3.34Å; F259-S261 PolarHBondContact O-N 3.25Å; S261-S264 PolarHBondContact O-N 2.95Å; S261-L265 WeakPolarHBondContact O-CG 3.43Å; S261-L265 PolarHBondContact O-N 2.77Å |
| 262 | N | 94.6 | Very high | 91.3 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 179.2 | -70.7 | -27.9 | 0 | 0 | 0 | 112.4 | E258 F259 L260 S264 L265 A266 V279 | E258-N262 PolarHBondContact O-N 2.77Å; E258-N262 PolarHBondContact O-ND2 2.86Å; F259-N262 PolarHBondContact O-N 3.13Å; L260-N262 VanDerWaalsContact C-N 3.33Å; N262-S264 VanDerWaalsContact C-N 3.32Å; N262-S264 PolarHBondContact O-N 3.36Å; N262-L265 PolarHBondContact O-N 3.3Å; N262-A266 WeakPolarHBondContact O-CB 3.39Å; N262-A266 PolarHBondContact O-N 2.85Å; N262-V279 HydrophobicContact CB-CB 4.41Å; N262-V279 HydrophobicContact CB-CG1 3.59Å; N262-V279 HydrophobicContact CB-CG2 4.03Å; N262-V279 WeakPolarHBondContact O-CG2 3.42Å |
| 263 | L | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 173 | -75 | 175.9 | 0 | 0 | 0 | 111.5 | I211 V212 E215 F259 L260 L265 A266 T267 L276 V279 F280 | I211-L263 HydrophobicContact CG2-CD1 4.19Å; I211-L263 HydrophobicContact CG2-CD2 4.27Å; V212-L263 HydrophobicContact CG2-CB 4.38Å; E215-L263 HydrophobicContact CB-CD1 4.04Å; E215-L263 HydrophobicContact CG-CD1 3.92Å; F259-L263 HydrophobicContact CD1-CD1 4.1Å; F259-L263 HydrophobicContact CD2-CG 4.36Å; F259-L263 HydrophobicContact CE1-CD1 3.71Å; F259-L263 HydrophobicContact CE1-CG 4.41Å; F259-L263 HydrophobicContact CE2-CD1 4.26Å; F259-L263 HydrophobicContact CE2-CD2 4.2Å; F259-L263 HydrophobicContact CE2-CG 4.09Å; F259-L263 HydrophobicContact CG-CD1 4.5Å; F259-L263 HydrophobicContact CZ-CD1 3.79Å; F259-L263 HydrophobicContact CZ-CD2 4.16Å; F259-L263 HydrophobicContact CZ-CG 4.09Å; F259-L263 WeakPolarHBondContact O-CG 3.37Å; F259-L263 PolarHBondContact O-N 3.42Å; L260-L263 PolarHBondContact O-N 2.82Å; L263-L265 VanDerWaalsContact C-N 3.32Å; L263-L265 PolarHBondContact O-N 2.97Å; L263-A266 PolarHBondContact O-N 3.25Å; L263-T267 WeakPolarHBondContact O-CB 3.34Å; L263-T267 WeakPolarHBondContact O-CG2 3.19Å; L263-T267 PolarHBondContact O-N 3.2Å; L263-T267 PolarHBondContact O-OG1 3.31Å; L263-L276 HydrophobicContact CD2-CD1 3.46Å; L263-L276 VanDerWaalsContact CD2-CD1 3.46Å; L263-V279 HydrophobicContact CD2-CB 4.35Å; L263-V279 HydrophobicContact CD2-CG1 3.77Å; L263-V279 HydrophobicContact CG-CG1 3.87Å; L263-F280 HydrophobicContact CD2-CE2 4.14Å |
| 264 | S | 92.1 | Very high | 89.7 | Confident | 54 Ų | 54 | 64.6 Ų | 64.6 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | L260 S261 N262 T267 S268 | L260-S264 WeakPolarHBondContact O-CB 3.27Å; L260-S264 PolarHBondContact O-N 2.83Å; L260-S264 PolarHBondContact O-OG 2.96Å; S261-S264 PolarHBondContact O-N 2.95Å; N262-S264 VanDerWaalsContact C-N 3.32Å; N262-S264 PolarHBondContact O-N 3.36Å; S264-T267 PolarHBondContact O-OG1 3.36Å; S264-S268 WeakPolarHBondContact O-CB 3.35Å; S264-S268 PolarHBondContact O-N 2.94Å |
| 265 | L | 89.4 | Confident | 89.4 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.9 | -46.4 | 174 | -69.2 | 173.1 | 0 | 0 | 0 | 111.6 | S261 N262 L263 T267 S268 M271 | S261-L265 WeakPolarHBondContact O-CG 3.43Å; S261-L265 PolarHBondContact O-N 2.77Å; N262-L265 PolarHBondContact O-N 3.3Å; L263-L265 VanDerWaalsContact C-N 3.32Å; L263-L265 PolarHBondContact O-N 2.97Å; L265-T267 PolarHBondContact O-N 3.18Å; L265-S268 WeakPolarHBondContact O-CB 3.45Å; L265-S268 PolarHBondContact O-N 3.43Å; L265-M271 HydrophobicContact CD2-CB 4.14Å |
| 266 | A | 91 | Very high | 89.1 | Confident | 18 Ų | 18 | 61.5 Ų | 61.5 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.3 | -23.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N262 L263 L274 V279 | N262-A266 WeakPolarHBondContact O-CB 3.39Å; N262-A266 PolarHBondContact O-N 2.85Å; L263-A266 PolarHBondContact O-N 3.25Å; A266-L274 VanDerWaalsContact CA-O 3.3Å; A266-L274 WeakPolarHBondContact CA-O 3.12Å; A266-L274 HydrophobicContact CB-CB 4.3Å; A266-L274 VanDerWaalsContact CB-O 3.27Å; A266-L274 WeakPolarHBondContact CB-O 3.26Å; A266-V279 HydrophobicContact CB-CG2 3.71Å |
| 267 | T | 89.1 | Confident | 89 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -102.9 | -2.7 | 178.6 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | I208 V212 L263 S264 L265 | I208-T267 HydrophobicContact CG2-CG2 3.52Å; V212-T267 HydrophobicContact CG2-CG2 4.01Å; L263-T267 WeakPolarHBondContact O-CB 3.34Å; L263-T267 WeakPolarHBondContact O-CG2 3.19Å; L263-T267 PolarHBondContact O-N 3.2Å; L263-T267 PolarHBondContact O-OG1 3.31Å; S264-T267 PolarHBondContact O-OG1 3.36Å; L265-T267 PolarHBondContact O-N 3.18Å |
| 268 | S | 85.6 | Confident | 88.9 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | trans | -69.8 | 134.9 | 179.1 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | S264 L265 T270 M271 N272 | S264-S268 WeakPolarHBondContact O-CB 3.35Å; S264-S268 PolarHBondContact O-N 2.94Å; L265-S268 WeakPolarHBondContact O-CB 3.45Å; L265-S268 PolarHBondContact O-N 3.43Å; S268-T270 PolarHBondContact O-N 3.2Å; S268-T270 PolarHBondContact OG-N 3.11Å; S268-T270 PolarHBondContact OG-OG1 2.88Å; S268-M271 PolarHBondContact OG-N 3.16Å; S268-N272 WeakPolarHBondContact O-CB 3.39Å | ||
| 269 | A | 79.8 | Confident | 88.9 | Confident | 100 Ų | 100 | 51.4 Ų | 51.4 | 83% | 0.826 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -65.7 | -20.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 270 | T | 78 | Confident | 88.9 | Confident | 109 Ų | 109 | 51.3 Ų | 51.3 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -113.7 | -18.4 | -172.1 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | S268 | S268-T270 PolarHBondContact O-N 3.2Å; S268-T270 PolarHBondContact OG-N 3.11Å; S268-T270 PolarHBondContact OG-OG1 2.88Å |
| 271 | M | 74 | Confident | 88.8 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | trans | -132.6 | 31.6 | -170.4 | -61.8 | -69.4 | 170.1 | 0 | 0 | 112.7 | L265 S268 F273 | L265-M271 HydrophobicContact CD2-CB 4.14Å; S268-M271 PolarHBondContact OG-N 3.16Å; M271-F273 VanDerWaalsContact C-N 3.25Å; M271-F273 HydrophobicContact CB-CD2 4.4Å; M271-F273 HydrophobicContact CB-CE2 3.85Å; M271-F273 HydrophobicContact CG-CE2 4.35Å; M271-F273 VanDerWaalsContact O-CD2 3.26Å; M271-F273 WeakPolarHBondContact O-CD2 3.32Å; M271-F273 PolarHBondContact O-N 3.44Å; M271-F273 HydrophobicContact SD-CE2 3.59Å; M271-F273 VanDerWaalsContact SD-CE2 3.59Å; M271-F273 HydrophobicContact SD-CZ 3.86Å | ||
| 272 | N | 74 | Confident | 88.9 | Confident | 106 Ų | 106 | 55.4 Ų | 55.4 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | trans | -78.6 | 58.7 | -176.8 | 59.9 | -7.1 | 0 | 0 | 0 | 113.9 | S268 | S268-N272 WeakPolarHBondContact O-CB 3.39Š| ||
| 273 | F | 80.1 | Confident | 89 | Confident | 164 Ų | 164 | 54.3 Ų | 54.3 | 72% | 0.719 | 31% | 0.307 | S | S | * | . | trans | -84.6 | -10.6 | 175.5 | -43.1 | -74.9 | 0 | 0 | 0 | 113.7 | M271 | M271-F273 VanDerWaalsContact C-N 3.25Å; M271-F273 HydrophobicContact CB-CD2 4.4Å; M271-F273 HydrophobicContact CB-CE2 3.85Å; M271-F273 HydrophobicContact CG-CE2 4.35Å; M271-F273 VanDerWaalsContact O-CD2 3.26Å; M271-F273 WeakPolarHBondContact O-CD2 3.32Å; M271-F273 PolarHBondContact O-N 3.44Å; M271-F273 HydrophobicContact SD-CE2 3.59Å; M271-F273 VanDerWaalsContact SD-CE2 3.59Å; M271-F273 HydrophobicContact SD-CZ 3.86Å | ||
| 274 | L | 84.6 | Confident | 88.9 | Confident | 37 Ų | 37 | 57 Ų | 57 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -113.3 | 133.4 | 179.2 | -66.2 | 174.7 | 0 | 0 | 0 | 108.8 | A266 V279 | A266-L274 VanDerWaalsContact CA-O 3.3Å; A266-L274 WeakPolarHBondContact CA-O 3.12Å; A266-L274 HydrophobicContact CB-CB 4.3Å; A266-L274 VanDerWaalsContact CB-O 3.27Å; A266-L274 WeakPolarHBondContact CB-O 3.26Å; L274-V279 HydrophobicContact CB-CG2 4.3Å |
| 275 | S | 90.7 | Very high | 89 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | trans | -73.6 | 154 | 168.2 | 75.5 | 0 | 0 | 0 | 0 | 109.9 | S277 D278 V279 | S275-S277 PolarHBondContact O-N 3.15Å; S275-D278 WeakPolarHBondContact CB-OD2 3.47Å; S275-D278 PolarHBondContact N-OD2 2.94Å; S275-D278 PolarHBondContact O-N 3.45Å; S275-D278 WeakPolarHBondContact OG-CB 3.49Å; S275-D278 PolarHBondContact OG-N 2.97Å; S275-D278 PolarHBondContact OG-OD2 2.97Å; S275-V279 WeakPolarHBondContact O-CG2 3.44Å; S275-V279 PolarHBondContact O-N 3.16Å | ||
| 276 | L | 93.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.6 | -39.4 | 175.7 | -176.4 | 60.7 | 0 | 0 | 0 | 111.2 | I208 L263 D278 V279 F280 L354 L368 | I208-L276 HydrophobicContact CG1-CD2 4.13Å; L263-L276 HydrophobicContact CD2-CD1 3.46Å; L263-L276 VanDerWaalsContact CD2-CD1 3.46Å; L276-D278 PolarHBondContact O-N 3.42Å; L276-V279 WeakPolarHBondContact O-CB 3.41Å; L276-V279 PolarHBondContact O-N 2.89Å; L276-F280 HydrophobicContact CD1-CD2 4.47Å; L276-F280 HydrophobicContact CD1-CE2 3.95Å; L276-F280 HydrophobicContact CG-CD2 4.46Å; L276-F280 HydrophobicContact CG-CE2 4.14Å; L276-F280 WeakPolarHBondContact O-CD2 3.29Å; L276-F280 PolarHBondContact O-N 3.35Å; L276-L354 HydrophobicContact CD2-CD2 3.44Å; L276-L354 VanDerWaalsContact CD2-CD2 3.44Å; L276-L368 HydrophobicContact CD2-CD2 4.39Å |
| 277 | S | 95.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 176.4 | -50.5 | 0 | 0 | 0 | 0 | 112.2 | S275 V279 F280 L281 D367 L368 | S275-S277 PolarHBondContact O-N 3.15Å; S277-V279 PolarHBondContact O-N 3.42Å; S277-F280 PolarHBondContact O-N 2.99Å; S277-L281 WeakPolarHBondContact O-CG 3.49Å; S277-L281 PolarHBondContact O-N 2.6Å; S277-D367 WeakPolarHBondContact CB-O 3.5Å; S277-D367 PolarHBondContact OG-O 3.18Å; S277-L368 WeakPolarHBondContact OG-CA 3.49Å; S277-L368 WeakPolarHBondContact OG-CD2 3.27Å; S277-L368 PolarHBondContact OG-N 3.4Å; S277-L368 VanDerWaalsContact OG-N 3.12Å |
| 278 | D | 94.6 | Very high | 89.9 | Confident | 63 Ų | 63 | 55.5 Ų | 55.5 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 178.5 | -68.5 | -44.1 | 0 | 0 | 0 | 112.3 | S275 L276 L281 K282 | S275-D278 WeakPolarHBondContact CB-OD2 3.47Å; S275-D278 PolarHBondContact N-OD2 2.94Å; S275-D278 PolarHBondContact O-N 3.45Å; S275-D278 WeakPolarHBondContact OG-CB 3.49Å; S275-D278 PolarHBondContact OG-N 2.97Å; S275-D278 PolarHBondContact OG-OD2 2.97Å; L276-D278 PolarHBondContact O-N 3.42Å; D278-L281 PolarHBondContact O-N 2.68Å; D278-K282 VanDerWaalsContact O-CB 3.31Å; D278-K282 WeakPolarHBondContact O-CB 3.35Å; D278-K282 WeakPolarHBondContact O-CG 3.41Å; D278-K282 PolarHBondContact O-N 3.44Å |
| 279 | V | 97.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 179 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | F259 N262 L263 A266 L274 S275 L276 S277 T283 | F259-V279 HydrophobicContact CD2-CG1 3.66Å; F259-V279 HydrophobicContact CE2-CG1 3.6Å; N262-V279 HydrophobicContact CB-CB 4.41Å; N262-V279 HydrophobicContact CB-CG1 3.59Å; N262-V279 HydrophobicContact CB-CG2 4.03Å; N262-V279 WeakPolarHBondContact O-CG2 3.42Å; L263-V279 HydrophobicContact CD2-CB 4.35Å; L263-V279 HydrophobicContact CD2-CG1 3.77Å; L263-V279 HydrophobicContact CG-CG1 3.87Å; A266-V279 HydrophobicContact CB-CG2 3.71Å; L274-V279 HydrophobicContact CB-CG2 4.3Å; S275-V279 WeakPolarHBondContact O-CG2 3.44Å; S275-V279 PolarHBondContact O-N 3.16Å; L276-V279 WeakPolarHBondContact O-CB 3.41Å; L276-V279 PolarHBondContact O-N 2.89Å; S277-V279 PolarHBondContact O-N 3.42Å; V279-T283 PolarHBondContact O-N 2.72Å |
| 280 | F | 97.8 | Very high | 91 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 176 | -77.1 | -83.8 | 0 | 0 | 0 | 112.6 | I211 F259 L263 L276 S277 K282 T283 R284 Y347 L351 A371 M375 | I211-F280 HydrophobicContact CG2-CE2 4.47Å; I211-F280 HydrophobicContact CG2-CZ 3.97Å; F259-F280 HydrophobicContact CE1-CE1 4.47Å; F259-F280 HydrophobicContact CE2-CD1 4.08Å; F259-F280 HydrophobicContact CE2-CE1 4.26Å; F259-F280 HydrophobicContact CE2-CG 4.35Å; F259-F280 AromaticContact CZ-CD1 3.77Å; F259-F280 HydrophobicContact CZ-CD1 3.77Å; F259-F280 AromaticContact CZ-CE1 3.51Å; F259-F280 HydrophobicContact CZ-CE1 3.51Å; F259-F280 HydrophobicContact CZ-CE2 4.46Å; F259-F280 HydrophobicContact CZ-CG 4.39Å; F259-F280 AromaticContact CZ-CZ 3.88Å; F259-F280 HydrophobicContact CZ-CZ 3.88Å; L263-F280 HydrophobicContact CD2-CE2 4.14Å; L276-F280 HydrophobicContact CD1-CD2 4.47Å; L276-F280 HydrophobicContact CD1-CE2 3.95Å; L276-F280 HydrophobicContact CG-CD2 4.46Å; L276-F280 HydrophobicContact CG-CE2 4.14Å; L276-F280 WeakPolarHBondContact O-CD2 3.29Å; L276-F280 PolarHBondContact O-N 3.35Å; S277-F280 PolarHBondContact O-N 2.99Å; F280-K282 PolarHBondContact O-N 3.18Å; F280-T283 WeakPolarHBondContact O-CG2 3.32Å; F280-T283 PolarHBondContact O-N 3.43Å; F280-R284 PolarHBondContact O-N 2.93Å; F280-R284 VanDerWaalsContact O-N 3.13Å; F280-Y347 AromaticContact CE1-CD1 3.85Å; F280-Y347 HydrophobicContact CE1-CD1 3.85Å; F280-Y347 HydrophobicContact CE1-CG 4.26Å; F280-L351 HydrophobicContact CB-CD1 4.43Å; F280-L351 HydrophobicContact CD1-CD1 3.79Å; F280-L351 HydrophobicContact CD2-CD1 4.17Å; F280-L351 HydrophobicContact CD2-CD2 3.91Å; F280-L351 HydrophobicContact CD2-CG 4.47Å; F280-L351 HydrophobicContact CE1-CD1 3.96Å; F280-L351 HydrophobicContact CE1-CG 4.22Å; F280-L351 HydrophobicContact CE2-CD1 4.37Å; F280-L351 HydrophobicContact CE2-CD2 3.69Å; F280-L351 HydrophobicContact CE2-CG 4.25Å; F280-L351 HydrophobicContact CG-CD1 3.88Å; F280-L351 HydrophobicContact CG-CD2 4.47Å; F280-L351 HydrophobicContact CZ-CD1 4.26Å; F280-L351 HydrophobicContact CZ-CD2 4.02Å; F280-L351 HydrophobicContact CZ-CG 4.1Å; F280-A371 HydrophobicContact CB-CB 4.06Å; F280-M375 HydrophobicContact CB-CE 4.44Å; F280-M375 HydrophobicContact CB-CG 4.47Å; F280-M375 HydrophobicContact CD1-CG 3.7Å; F280-M375 HydrophobicContact CD1-SD 3.82Å; F280-M375 HydrophobicContact CE1-CG 4.37Å; F280-M375 HydrophobicContact CG-CG 4.43Å; F280-M375 WeakPolarHBondContact O-CE 3.17Å |
| 281 | L | 95.5 | Very high | 91.6 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 179.6 | -67.1 | 174.8 | 0 | 0 | 0 | 112.2 | S277 D278 R284 V370 A371 A374 | S277-L281 WeakPolarHBondContact O-CG 3.49Å; S277-L281 PolarHBondContact O-N 2.6Å; D278-L281 PolarHBondContact O-N 2.68Å; L281-R284 WeakPolarHBondContact O-CB 2.81Å; L281-V370 HydrophobicContact CD1-CG1 4.35Å; L281-V370 HydrophobicContact CD2-CG1 4.16Å; L281-A371 HydrophobicContact CG-CB 4.45Å; L281-A374 HydrophobicContact CD2-CB 3.67Å |
| 282 | K | 93.8 | Very high | 92.3 | Very high | 127 Ų | 127 | 45.2 Ų | 45.2 | 55% | 0.552 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -68.3 | -34.8 | 177.4 | -75 | 176.1 | -176.3 | -175.9 | 0 | 113.3 | D278 F280 | D278-K282 VanDerWaalsContact O-CB 3.31Å; D278-K282 WeakPolarHBondContact O-CB 3.35Å; D278-K282 WeakPolarHBondContact O-CG 3.41Å; D278-K282 PolarHBondContact O-N 3.44Å; F280-K282 PolarHBondContact O-N 3.18Å |
| 283 | T | 96.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -84.2 | -18.2 | -179 | -162.3 | 0 | 0 | 0 | 0 | 113.4 | F259 V279 F280 D285 N286 L287 | F259-T283 HydrophobicContact CD2-CG2 3.54Å; F259-T283 HydrophobicContact CE2-CG2 3.57Å; F259-T283 HydrophobicContact CG-CG2 4.27Å; F259-T283 HydrophobicContact CZ-CG2 4.36Å; V279-T283 PolarHBondContact O-N 2.72Å; F280-T283 WeakPolarHBondContact O-CG2 3.32Å; F280-T283 PolarHBondContact O-N 3.43Å; T283-D285 PolarHBondContact O-N 3.06Å; T283-D285 VanDerWaalsContact O-N 3.15Å; T283-N286 WeakPolarHBondContact O-CB 3.39Å; T283-N286 PolarHBondContact O-N 3.27Å; T283-L287 HydrophobicContact CG2-CD1 3.84Å; T283-L287 HydrophobicContact CG2-CG 4.23Å; T283-L287 PolarHBondContact O-N 2.9Å; T283-L287 VanDerWaalsContact O-N 3.16Å |
| 284 | R | 95.4 | Very high | 93.7 | Very high | 56 Ų | 56 | 33.2 Ų | 33.2 | 21% | 0.211 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | -54.4 | -171.5 | -176 | -168.4 | 65.4 | -170.6 | -11.2 | 114.6 | F280 L281 N286 L287 A374 M375 V378 Y544 | F280-R284 PolarHBondContact O-N 2.93Å; F280-R284 VanDerWaalsContact O-N 3.13Å; L281-R284 WeakPolarHBondContact O-CB 2.81Å; R284-N286 VanDerWaalsContact C-N 3.34Å; R284-N286 PolarHBondContact O-N 3.41Å; R284-L287 WeakPolarHBondContact O-CB 3.34Å; R284-L287 PolarHBondContact O-N 2.92Å; R284-A374 HydrophobicContact CG-CB 4.35Å; R284-M375 HydrophobicContact CB-CE 3.78Å; R284-M375 HydrophobicContact CG-CE 3.89Å; R284-V378 HydrophobicContact CG-CG2 3.6Å; R284-Y544 PolarHBondContact NE-OH 3.4Å; R284-Y544 PolarHBondContact NH2-OH 3.44Å |
| 285 | D | 94.1 | Very high | 93.8 | Very high | 58 Ų | 58 | 32.8 Ų | 32.8 | 31% | 0.31 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -31.1 | -173.3 | -66.3 | 34.1 | 0 | 0 | 0 | 111.4 | T283 L287 L288 Y544 | T283-D285 PolarHBondContact O-N 3.06Å; T283-D285 VanDerWaalsContact O-N 3.15Å; D285-L287 VanDerWaalsContact C-N 3.26Å; D285-L287 PolarHBondContact O-N 3.33Å; D285-L288 WeakPolarHBondContact O-CB 3.49Å; D285-L288 WeakPolarHBondContact O-CG 3.4Å; D285-L288 PolarHBondContact O-N 3.42Å; D285-L288 VanDerWaalsContact O-N 3.16Å; D285-Y544 PolarHBondContact OD1-OH 3.18Å; D285-Y544 PolarHBondContact OD2-OH 2.92Å |
| 286 | N | 95.9 | Very high | 93.8 | Very high | 81 Ų | 81 | 32.5 Ų | 32.5 | 43% | 0.433 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -66.8 | -30.1 | 174.4 | -63.1 | -15 | 0 | 0 | 0 | 111.5 | I255 T283 R284 L288 I289 | I255-N286 HydrophobicContact CD1-CB 4.29Å; I255-N286 HydrophobicContact CG1-CB 4.24Å; I255-N286 HydrophobicContact CG2-CB 3.95Å; T283-N286 WeakPolarHBondContact O-CB 3.39Å; T283-N286 PolarHBondContact O-N 3.27Å; R284-N286 VanDerWaalsContact C-N 3.34Å; R284-N286 PolarHBondContact O-N 3.41Å; N286-L288 PolarHBondContact O-N 3.16Å; N286-I289 VanDerWaalsContact O-CG2 3.25Å; N286-I289 WeakPolarHBondContact O-CG2 3.19Å |
| 287 | L | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -71.7 | -7.1 | 175.8 | -61.1 | 177.1 | 0 | 0 | 0 | 113.2 | I255 T283 R284 D285 I289 Y290 Y347 M375 V378 | I255-L287 HydrophobicContact CG2-CD2 4.16Å; T283-L287 HydrophobicContact CG2-CD1 3.84Å; T283-L287 HydrophobicContact CG2-CG 4.23Å; T283-L287 PolarHBondContact O-N 2.9Å; T283-L287 VanDerWaalsContact O-N 3.16Å; R284-L287 WeakPolarHBondContact O-CB 3.34Å; R284-L287 PolarHBondContact O-N 2.92Å; D285-L287 VanDerWaalsContact C-N 3.26Å; D285-L287 PolarHBondContact O-N 3.33Å; L287-I289 PolarHBondContact O-N 3.22Å; L287-Y290 HydrophobicContact CB-CD2 4.46Å; L287-Y290 HydrophobicContact CD2-CD2 4.42Å; L287-Y290 HydrophobicContact CD2-CE2 3.94Å; L287-Y290 WeakPolarHBondContact O-CB 3.46Å; L287-Y290 VanDerWaalsContact O-CD2 3.28Å; L287-Y290 WeakPolarHBondContact O-CD2 3.48Å; L287-Y290 PolarHBondContact O-N 3.07Å; L287-Y347 HydrophobicContact CD1-CD2 4.44Å; L287-M375 HydrophobicContact CD1-CE 4.29Å; L287-M375 HydrophobicContact CD1-SD 3.78Å; L287-V378 HydrophobicContact CB-CG1 3.92Å |
| 288 | L | 93.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 35 Ų | 35 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -72.2 | -15.9 | 177.8 | -62.4 | 177.4 | 0 | 0 | 0 | 113.3 | D285 N286 Y290 G291 V378 P542 L551 | D285-L288 WeakPolarHBondContact O-CB 3.49Å; D285-L288 WeakPolarHBondContact O-CG 3.4Å; D285-L288 PolarHBondContact O-N 3.42Å; D285-L288 VanDerWaalsContact O-N 3.16Å; N286-L288 PolarHBondContact O-N 3.16Å; L288-Y290 PolarHBondContact O-N 3.47Å; L288-Y290 VanDerWaalsContact O-N 3.11Å; L288-G291 PolarHBondContact O-N 3.15Å; L288-V378 HydrophobicContact CD2-CG1 4.5Å; L288-V378 HydrophobicContact CD2-CG2 4.26Å; L288-P542 HydrophobicContact CD1-CB 3.6Å; L288-P542 HydrophobicContact CD1-CG 3.49Å; L288-P542 VanDerWaalsContact CD1-CG 3.49Å; L288-L551 HydrophobicContact CD1-CD1 4.19Å; L288-L551 HydrophobicContact CD1-CD2 3.86Å; L288-L551 HydrophobicContact CD2-CD2 3.69Å; L288-L551 HydrophobicContact CG-CD2 4.45Å |
| 289 | I | 94.3 | Very high | 93 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.2 | -24.5 | 170 | -165.9 | 177 | 0 | 0 | 0 | 112.8 | Y248 E251 L252 I255 N286 L287 G291 E292 Y293 | Y248-I289 HydrophobicContact CD1-CD1 4.05Å; Y248-I289 HydrophobicContact CD1-CG1 4.03Å; Y248-I289 HydrophobicContact CE1-CG1 4.5Å; E251-I289 HydrophobicContact CB-CD1 3.92Å; E251-I289 HydrophobicContact CG-CD1 3.5Å; E251-I289 WeakPolarHBondContact OE1-CD1 3.45Å; E251-I289 VanDerWaalsContact OE2-CD1 3.25Å; E251-I289 WeakPolarHBondContact OE2-CD1 3.27Å; L252-I289 HydrophobicContact CD2-CG2 3.71Å; I255-I289 HydrophobicContact CD1-CD1 4.48Å; I255-I289 HydrophobicContact CD1-CG2 3.82Å; N286-I289 VanDerWaalsContact O-CG2 3.25Å; N286-I289 WeakPolarHBondContact O-CG2 3.19Å; L287-I289 PolarHBondContact O-N 3.22Å; I289-G291 PolarHBondContact O-N 3.28Å; I289-G291 VanDerWaalsContact O-N 3.16Å; I289-E292 PolarHBondContact O-N 3.49Å; I289-E292 VanDerWaalsContact O-N 3.07Å; I289-Y293 PolarHBondContact O-N 3.23Å |
| 290 | Y | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -26.4 | 175.9 | -83.9 | -88.1 | 0 | 0 | 0 | 112.6 | Y218 L252 H256 L287 L288 Y293 C294 P340 V344 I382 | Y218-Y290 WeakPolarHBondContact CE1-OH 3.49Å; Y218-Y290 PolarHBondContact OH-OH 3.37Å; L252-Y290 HydrophobicContact CD1-CE1 4.37Å; L252-Y290 HydrophobicContact CD2-CD1 4.42Å; L252-Y290 HydrophobicContact CD2-CD2 3.93Å; L252-Y290 HydrophobicContact CD2-CE1 4Å; L252-Y290 HydrophobicContact CD2-CE2 3.49Å; L252-Y290 VanDerWaalsContact CD2-CE2 3.49Å; L252-Y290 HydrophobicContact CD2-CG 4.4Å; H256-Y290 PolarHBondContact CD2-OH 3.42Å; H256-Y290 PolarHBondContact CE1-OH 2.85Å; H256-Y290 AromaticContact NE2-CE2 3.34Å; H256-Y290 VanDerWaalsContact NE2-CE2 3.34Å; H256-Y290 WeakPolarHBondContact NE2-CE2 3.5Å; H256-Y290 AromaticContact NE2-CZ 3.44Å; H256-Y290 PolarHBondContact NE2-OH 2.82Å; L287-Y290 HydrophobicContact CB-CD2 4.46Å; L287-Y290 HydrophobicContact CD2-CD2 4.42Å; L287-Y290 HydrophobicContact CD2-CE2 3.94Å; L287-Y290 WeakPolarHBondContact O-CB 3.46Å; L287-Y290 VanDerWaalsContact O-CD2 3.28Å; L287-Y290 WeakPolarHBondContact O-CD2 3.48Å; L287-Y290 PolarHBondContact O-N 3.07Å; L288-Y290 PolarHBondContact O-N 3.47Å; L288-Y290 VanDerWaalsContact O-N 3.11Å; Y290-Y293 HydrophobicContact CD1-CD1 4.35Å; Y290-Y293 PolarHBondContact O-N 2.96Å; Y290-C294 VanDerWaalsContact O-CB 3.29Å; Y290-C294 WeakPolarHBondContact O-CB 3.44Å; Y290-C294 PolarHBondContact O-N 3.31Å; Y290-C294 PolarHBondContact O-SG 2.97Å; Y290-P340 HydrophobicContact CE1-CB 3.71Å; Y290-P340 WeakPolarHBondContact CE1-O 3.36Å; Y290-V344 HydrophobicContact CD1-CB 3.79Å; Y290-V344 HydrophobicContact CD1-CG1 3.59Å; Y290-V344 HydrophobicContact CD1-CG2 4.31Å; Y290-V344 HydrophobicContact CD2-CB 4.07Å; Y290-V344 HydrophobicContact CD2-CG2 3.79Å; Y290-V344 HydrophobicContact CE1-CB 3.84Å; Y290-V344 HydrophobicContact CE1-CG1 4Å; Y290-V344 HydrophobicContact CE2-CB 4.1Å; Y290-V344 HydrophobicContact CE2-CG2 4.1Å; Y290-V344 HydrophobicContact CG-CB 3.89Å; Y290-V344 HydrophobicContact CG-CG1 3.9Å; Y290-V344 HydrophobicContact CG-CG2 3.88Å; Y290-I382 HydrophobicContact CG-CD1 4.34Å |
| 291 | G | 89.3 | Confident | 92.5 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | L288 I289 C294 G295 V385 | L288-G291 PolarHBondContact O-N 3.15Å; I289-G291 PolarHBondContact O-N 3.28Å; I289-G291 VanDerWaalsContact O-N 3.16Å; G291-C294 PolarHBondContact O-N 3.42Å; G291-G295 PolarHBondContact O-N 2.86Å; G291-G295 VanDerWaalsContact O-N 3.13Å; G291-V385 WeakPolarHBondContact O-CG1 3.4Å |
| 292 | E | 90.2 | Very high | 92.1 | Very high | 109 Ų | 109 | 36 Ų | 36 | 51% | 0.509 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 177.7 | -59.8 | 178.7 | 123.9 | 0 | 0 | 111.2 | Y248 I289 C294 G295 H296 | Y248-E292 HydrophobicContact CE1-CB 3.76Å; I289-E292 PolarHBondContact O-N 3.49Å; I289-E292 VanDerWaalsContact O-N 3.07Å; E292-C294 PolarHBondContact O-N 3.44Å; E292-G295 PolarHBondContact O-N 2.78Å; E292-H296 WeakPolarHBondContact O-CB 3.48Å; E292-H296 PolarHBondContact O-N 2.76Å |
| 293 | Y | 94.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 31 Ų | 31 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 175.4 | 177.8 | -108.4 | 0 | 0 | 0 | 112.6 | Y248 I249 L252 I289 Y290 G295 H296 L297 L337 P340 | Y248-Y293 AromaticContact CD2-CD2 3.93Å; Y248-Y293 HydrophobicContact CD2-CD2 3.93Å; Y248-Y293 HydrophobicContact CG-CD2 4.1Å; I249-Y293 HydrophobicContact CD1-CE2 3.87Å; L252-Y293 HydrophobicContact CD1-CD1 4.37Å; L252-Y293 HydrophobicContact CD1-CD2 4.16Å; L252-Y293 HydrophobicContact CD1-CE2 4.32Å; L252-Y293 HydrophobicContact CD1-CG 4.11Å; I289-Y293 PolarHBondContact O-N 3.23Å; Y290-Y293 HydrophobicContact CD1-CD1 4.35Å; Y290-Y293 PolarHBondContact O-N 2.96Å; Y293-G295 PolarHBondContact O-N 3Å; Y293-H296 CarbonylContact O-C 3.5Å; Y293-H296 PolarHBondContact O-N 3.48Å; Y293-L297 WeakPolarHBondContact O-CB 3.25Å; Y293-L297 PolarHBondContact O-N 3.24Å; Y293-L337 PolarHBondContact OH-O 2.66Å; Y293-P340 HydrophobicContact CD1-CB 4.2Å; Y293-P340 HydrophobicContact CE1-CB 3.53Å; Y293-P340 HydrophobicContact CE1-CG 4Å; Y293-P340 WeakPolarHBondContact OH-CG 3.45Å |
| 294 | C | 88.9 | Confident | 92 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -34.9 | 179.2 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | Y290 G291 E292 H296 I341 I382 | Y290-C294 VanDerWaalsContact O-CB 3.29Å; Y290-C294 WeakPolarHBondContact O-CB 3.44Å; Y290-C294 PolarHBondContact O-N 3.31Å; Y290-C294 PolarHBondContact O-SG 2.97Å; G291-C294 PolarHBondContact O-N 3.42Å; E292-C294 PolarHBondContact O-N 3.44Å; C294-H296 VanDerWaalsContact C-N 3.29Å; C294-I341 HydrophobicContact CB-CD1 4.25Å; C294-I341 WeakPolarHBondContact SG-CD1 3.48Å; C294-I341 VanDerWaalsContact SG-CG1 3.57Å; C294-I382 HydrophobicContact CB-CG2 4.35Å |
| 295 | G | 85.9 | Confident | 91.8 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.1 | -34.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G291 E292 Y293 | G291-G295 PolarHBondContact O-N 2.86Å; G291-G295 VanDerWaalsContact O-N 3.13Å; E292-G295 PolarHBondContact O-N 2.78Å; Y293-G295 PolarHBondContact O-N 3Å |
| 296 | H | 90.6 | Very high | 91.6 | Very high | 22 Ų | 22 | 35 Ų | 35 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -90.3 | -25.5 | -176 | -166.8 | 81.6 | 0 | 0 | 0 | 114.1 | E244 Y248 E292 Y293 C294 Q298 H299 A300 | E244-H296 PolarHBondContact O-NE2 3Å; E244-H296 IonicContact OE2-CE1 2.72Å; E244-H296 PolarHBondContact OE2-CE1 3.09Å; E244-H296 IonicContact OE2-NE2 3.88Å; Y248-H296 HydrophobicContact CD2-CB 4.09Å; Y248-H296 HydrophobicContact CE2-CB 3.49Å; Y248-H296 VanDerWaalsContact CE2-CB 3.49Å; Y248-H296 AromaticContact CE2-CG 3.62Å; E292-H296 WeakPolarHBondContact O-CB 3.48Å; E292-H296 PolarHBondContact O-N 2.76Å; Y293-H296 CarbonylContact O-C 3.5Å; Y293-H296 PolarHBondContact O-N 3.48Å; C294-H296 VanDerWaalsContact C-N 3.29Å; H296-Q298 VanDerWaalsContact C-N 3.29Å; H296-Q298 PolarHBondContact O-N 3.47Å; H296-H299 AromaticContact CE1-CD2 3.92Å; H296-H299 WeakPolarHBondContact O-CB 3.4Å; H296-H299 PolarHBondContact O-N 3.08Å; H296-A300 PolarHBondContact O-N 2.86Å; H296-A300 VanDerWaalsContact O-N 3.09Å |
| 297 | L | 90.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.4 | -45 | -172.3 | 174.2 | 58.9 | 0 | 0 | 0 | 112.8 | Y293 H299 A300 Q301 L337 I341 | Y293-L297 WeakPolarHBondContact O-CB 3.25Å; Y293-L297 PolarHBondContact O-N 3.24Å; L297-H299 VanDerWaalsContact C-N 3.32Å; L297-H299 PolarHBondContact O-N 3.36Å; L297-A300 PolarHBondContact O-N 3.07Å; L297-Q301 HydrophobicContact CD1-CG 3.92Å; L297-Q301 HydrophobicContact CG-CG 4.43Å; L297-Q301 WeakPolarHBondContact O-CG 3.15Å; L297-Q301 PolarHBondContact O-N 2.85Å; L297-L337 HydrophobicContact CD1-CB 3.7Å; L297-L337 WeakPolarHBondContact CD1-O 3.39Å; L297-I341 HydrophobicContact CD2-CG2 3.98Å |
| 298 | Q | 85.9 | Confident | 91.2 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.2 | -41.3 | -179.4 | -170.9 | 65.9 | 60.7 | 0 | 0 | 111.6 | H296 Q301 N302 | H296-Q298 VanDerWaalsContact C-N 3.29Å; H296-Q298 PolarHBondContact O-N 3.47Å; Q298-Q301 PolarHBondContact O-N 3.21Å; Q298-N302 PolarHBondContact NE2-OD1 2.65Å; Q298-N302 WeakPolarHBondContact O-CB 3.17Å; Q298-N302 PolarHBondContact O-N 3.45Å; Q298-N302 PolarHBondContact O-ND2 2.84Å; Q298-N302 PolarHBondContact O-OD1 3.03Å |
| 299 | H | 88.7 | Confident | 91 | Very high | 90 Ų | 90 | 39.9 Ų | 39.9 | 42% | 0.417 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 176.5 | 179.4 | 64.4 | 0 | 0 | 0 | 111.1 | E244 H296 L297 Q301 N302 L303 | E244-H299 IonicContact OE2-CD2 3.47Å; E244-H299 PolarHBondContact OE2-CD2 3.43Å; E244-H299 IonicContact OE2-NE2 2.72Å; E244-H299 PolarHBondContact OE2-NE2 3.24Å; E244-H299 VanDerWaalsContact OE2-NE2 3.17Å; H296-H299 AromaticContact CE1-CD2 3.92Å; H296-H299 WeakPolarHBondContact O-CB 3.4Å; H296-H299 PolarHBondContact O-N 3.08Å; L297-H299 VanDerWaalsContact C-N 3.32Å; L297-H299 PolarHBondContact O-N 3.36Å; H299-Q301 PolarHBondContact O-N 3.23Å; H299-N302 PolarHBondContact O-N 3.22Å; H299-L303 WeakPolarHBondContact O-CB 3.33Å; H299-L303 PolarHBondContact O-N 3.28Å |
| 300 | A | 94.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E244 H296 L297 L303 V304 L337 | E244-A300 WeakPolarHBondContact O-CB 3.49Å; H296-A300 PolarHBondContact O-N 2.86Å; H296-A300 VanDerWaalsContact O-N 3.09Å; L297-A300 PolarHBondContact O-N 3.07Å; A300-L303 PolarHBondContact O-N 3.25Å; A300-V304 WeakPolarHBondContact O-CG2 3.42Å; A300-V304 PolarHBondContact O-N 3.21Å; A300-V304 VanDerWaalsContact O-N 3.07Å; A300-L337 HydrophobicContact CB-CD1 4.43Å |
| 301 | Q | 91.5 | Very high | 90.8 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -45 | 177.8 | -72 | 178.1 | -49.9 | 0 | 0 | 111.8 | L297 Q298 H299 L303 V304 Y305 A334 T338 | L297-Q301 HydrophobicContact CD1-CG 3.92Å; L297-Q301 HydrophobicContact CG-CG 4.43Å; L297-Q301 WeakPolarHBondContact O-CG 3.15Å; L297-Q301 PolarHBondContact O-N 2.85Å; Q298-Q301 PolarHBondContact O-N 3.21Å; H299-Q301 PolarHBondContact O-N 3.23Å; Q301-L303 VanDerWaalsContact C-N 3.32Å; Q301-L303 PolarHBondContact O-N 3.18Å; Q301-V304 WeakPolarHBondContact O-CB 3.48Å; Q301-V304 PolarHBondContact O-N 3.23Å; Q301-V304 VanDerWaalsContact O-N 3.16Å; Q301-Y305 HydrophobicContact CB-CE2 4.21Å; Q301-Y305 WeakPolarHBondContact O-CD2 3.45Å; Q301-Y305 PolarHBondContact O-N 2.82Å; Q301-A334 HydrophobicContact CB-CB 4.36Å; Q301-A334 HydrophobicContact CG-CB 4.24Å; Q301-A334 PolarHBondContact NE2-O 2.87Å; Q301-T338 PolarHBondContact NE2-OG1 3.23Å |
| 302 | N | 87.3 | Confident | 91.1 | Very high | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 179 | -68.5 | -3.5 | 0 | 0 | 0 | 111.3 | D59 S62 Q298 H299 V304 Y305 E306 | D59-N302 PolarHBondContact OD2-ND2 3.44Å; D59-N302 PolarHBondContact OD2-OD1 3.48Å; S62-N302 VanDerWaalsContact CB-ND2 3.31Å; S62-N302 WeakPolarHBondContact CB-ND2 3.37Å; Q298-N302 PolarHBondContact NE2-OD1 2.65Å; Q298-N302 WeakPolarHBondContact O-CB 3.17Å; Q298-N302 PolarHBondContact O-N 3.45Å; Q298-N302 PolarHBondContact O-ND2 2.84Å; Q298-N302 PolarHBondContact O-OD1 3.03Å; H299-N302 PolarHBondContact O-N 3.22Å; N302-V304 VanDerWaalsContact C-N 3.32Å; N302-V304 PolarHBondContact O-N 3.23Å; N302-Y305 PolarHBondContact O-N 3.48Å; N302-E306 WeakPolarHBondContact O-CB 3.38Å; N302-E306 WeakPolarHBondContact O-CG 3.46Å; N302-E306 PolarHBondContact O-N 3.08Å |
| 303 | L | 93.7 | Very high | 91.3 | Very high | 24 Ų | 24 | 53 Ų | 53 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.5 | -177.9 | 56.4 | 0 | 0 | 0 | 111.9 | E241 E244 I245 H299 A300 Q301 E306 I307 | E241-L303 HydrophobicContact CG-CD1 4.48Å; E244-L303 HydrophobicContact CB-CD2 3.54Å; E244-L303 HydrophobicContact CG-CD2 4.45Å; I245-L303 HydrophobicContact CD1-CD2 4.44Å; I245-L303 HydrophobicContact CD1-CG 4.38Å; I245-L303 HydrophobicContact CG1-CD2 3.95Å; I245-L303 HydrophobicContact CG1-CG 4.19Å; H299-L303 WeakPolarHBondContact O-CB 3.33Å; H299-L303 PolarHBondContact O-N 3.28Å; A300-L303 PolarHBondContact O-N 3.25Å; Q301-L303 VanDerWaalsContact C-N 3.32Å; Q301-L303 PolarHBondContact O-N 3.18Å; L303-E306 PolarHBondContact O-N 3.1Å; L303-I307 HydrophobicContact CD1-CD1 3.98Å; L303-I307 HydrophobicContact CD1-CG1 4.2Å; L303-I307 HydrophobicContact CG-CD1 3.91Å; L303-I307 WeakPolarHBondContact O-CB 3.47Å; L303-I307 WeakPolarHBondContact O-CD1 3.45Å; L303-I307 WeakPolarHBondContact O-CG1 3.41Å; L303-I307 PolarHBondContact O-N 3.17Å |
| 304 | V | 94.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | I245 A300 Q301 N302 E306 I307 M308 L333 A334 | I245-V304 HydrophobicContact CD1-CG2 3.87Å; I245-V304 HydrophobicContact CG1-CG2 4Å; I245-V304 HydrophobicContact CG2-CG2 3.93Å; A300-V304 WeakPolarHBondContact O-CG2 3.42Å; A300-V304 PolarHBondContact O-N 3.21Å; A300-V304 VanDerWaalsContact O-N 3.07Å; Q301-V304 WeakPolarHBondContact O-CB 3.48Å; Q301-V304 PolarHBondContact O-N 3.23Å; Q301-V304 VanDerWaalsContact O-N 3.16Å; N302-V304 VanDerWaalsContact C-N 3.32Å; N302-V304 PolarHBondContact O-N 3.23Å; V304-E306 PolarHBondContact O-N 3.39Å; V304-I307 PolarHBondContact O-N 3.46Å; V304-M308 HydrophobicContact CG1-CG 4.42Å; V304-M308 HydrophobicContact CG1-SD 4.17Å; V304-M308 WeakPolarHBondContact O-CB 3.44Å; V304-M308 VanDerWaalsContact O-CG 3.31Å; V304-M308 WeakPolarHBondContact O-CG 3.4Å; V304-M308 PolarHBondContact O-N 3.46Å; V304-L333 HydrophobicContact CG1-CB 4.44Å; V304-L333 HydrophobicContact CG1-CD2 4.45Å; V304-L333 HydrophobicContact CG2-CD2 4.07Å; V304-L333 HydrophobicContact CG2-CG 4.37Å; V304-A334 HydrophobicContact CB-CB 4.42Å; V304-A334 HydrophobicContact CG1-CB 4.17Å |
| 305 | Y | 89.9 | Confident | 91.8 | Very high | 113 Ų | 113 | 57.4 Ų | 57.4 | 44% | 0.443 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 178.9 | -64.4 | -49.7 | 0 | 0 | 0 | 112.7 | Q301 N302 M308 R309 A334 | Q301-Y305 HydrophobicContact CB-CE2 4.21Å; Q301-Y305 WeakPolarHBondContact O-CD2 3.45Å; Q301-Y305 PolarHBondContact O-N 2.82Å; N302-Y305 PolarHBondContact O-N 3.48Å; Y305-M308 PolarHBondContact O-N 3.26Å; Y305-R309 WeakPolarHBondContact O-CB 3.43Å; Y305-R309 PolarHBondContact O-N 3.21Å; Y305-A334 HydrophobicContact CD1-CB 4.41Å; Y305-A334 HydrophobicContact CE1-CB 3.65Å; Y305-A334 HydrophobicContact CE2-CB 4.08Å; Y305-A334 VanDerWaalsContact CZ-CB 3.45Å; Y305-A334 WeakPolarHBondContact OH-CB 3.37Å |
| 306 | E | 89.4 | Confident | 92.3 | Very high | 93 Ų | 93 | 60.3 Ų | 60.3 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.3 | -75.1 | -167.5 | 159.8 | 0 | 0 | 112 | N302 L303 V304 R309 N310 | N302-E306 WeakPolarHBondContact O-CB 3.38Å; N302-E306 WeakPolarHBondContact O-CG 3.46Å; N302-E306 PolarHBondContact O-N 3.08Å; L303-E306 PolarHBondContact O-N 3.1Å; V304-E306 PolarHBondContact O-N 3.39Å; E306-R309 PolarHBondContact O-N 2.97Å; E306-N310 VanDerWaalsContact O-CB 3.24Å; E306-N310 WeakPolarHBondContact O-CB 3.25Å; E306-N310 PolarHBondContact O-N 2.74Å; E306-N310 PolarHBondContact O-ND2 3.3Å |
| 307 | I | 94.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 175.3 | -71.6 | 164.2 | 0 | 0 | 0 | 109.9 | L237 E241 I245 L303 V304 R309 N310 D311 K314 I318 | L237-I307 HydrophobicContact CD2-CD1 4.2Å; L237-I307 HydrophobicContact CD2-CG2 4.09Å; E241-I307 HydrophobicContact CB-CD1 4.26Å; E241-I307 HydrophobicContact CG-CD1 4.06Å; I245-I307 HydrophobicContact CD1-CD1 3.89Å; L303-I307 HydrophobicContact CD1-CD1 3.98Å; L303-I307 HydrophobicContact CD1-CG1 4.2Å; L303-I307 HydrophobicContact CG-CD1 3.91Å; L303-I307 WeakPolarHBondContact O-CB 3.47Å; L303-I307 WeakPolarHBondContact O-CD1 3.45Å; L303-I307 WeakPolarHBondContact O-CG1 3.41Å; L303-I307 PolarHBondContact O-N 3.17Å; V304-I307 PolarHBondContact O-N 3.46Å; I307-R309 VanDerWaalsContact C-N 3.29Å; I307-R309 PolarHBondContact O-N 3.29Å; I307-N310 PolarHBondContact O-N 2.8Å; I307-D311 PolarHBondContact O-N 3.3Å; I307-K314 HydrophobicContact CG2-CB 3.5Å; I307-K314 HydrophobicContact CG2-CD 3.81Å; I307-K314 HydrophobicContact CG2-CG 4.3Å; I307-I318 HydrophobicContact CG2-CD1 3.9Å |
| 308 | M | 91.5 | Very high | 92.9 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 20% | 0.202 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 178.5 | -72.6 | -170.7 | 75.5 | 0 | 0 | 111.2 | V304 Y305 R315 I318 E319 | V304-M308 HydrophobicContact CG1-CG 4.42Å; V304-M308 HydrophobicContact CG1-SD 4.17Å; V304-M308 WeakPolarHBondContact O-CB 3.44Å; V304-M308 VanDerWaalsContact O-CG 3.31Å; V304-M308 WeakPolarHBondContact O-CG 3.4Å; V304-M308 PolarHBondContact O-N 3.46Å; Y305-M308 PolarHBondContact O-N 3.26Å; M308-R315 HydrophobicContact CB-CG 4.28Å; M308-R315 HydrophobicContact CE-CG 4.04Å; M308-R315 HydrophobicContact CG-CG 4.33Å; M308-R315 PolarHBondContact O-NE 2.98Å; M308-R315 PolarHBondContact O-NH2 2.8Å; M308-I318 HydrophobicContact CG-CD1 4.33Å; M308-I318 HydrophobicContact SD-CG2 4.44Å; M308-E319 HydrophobicContact CE-CG 4.2Å |
| 309 | R | 88.2 | Confident | 93.3 | Very high | 162 Ų | 162 | 63.4 Ų | 63.4 | 61% | 0.611 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.5 | -46.1 | 178.4 | -173.6 | 175.4 | 66.8 | -163.3 | -5.7 | 112.6 | Y305 E306 I307 R315 | Y305-R309 WeakPolarHBondContact O-CB 3.43Å; Y305-R309 PolarHBondContact O-N 3.21Å; E306-R309 PolarHBondContact O-N 2.97Å; I307-R309 VanDerWaalsContact C-N 3.29Å; I307-R309 PolarHBondContact O-N 3.29Å; R309-R315 PolarHBondContact O-NH2 3.44Å |
| 310 | N | 92.5 | Very high | 93.6 | Very high | 111 Ų | 111 | 63 Ų | 63 | 59% | 0.594 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -94.9 | -22.8 | -163.7 | -60.5 | -23.3 | 0 | 0 | 0 | 114 | E306 I307 | E306-N310 VanDerWaalsContact O-CB 3.24Å; E306-N310 WeakPolarHBondContact O-CB 3.25Å; E306-N310 PolarHBondContact O-N 2.74Å; E306-N310 PolarHBondContact O-ND2 3.3Å; I307-N310 PolarHBondContact O-N 2.8Å |
| 311 | D | 94.7 | Very high | 93.6 | Very high | 53 Ų | 53 | 63 Ų | 63 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | trans | -128.7 | 110.3 | -174.4 | -169.7 | -40.9 | 0 | 0 | 0 | 111.6 | I307 E313 K314 R315 | I307-D311 PolarHBondContact O-N 3.3Å; D311-E313 PolarHBondContact OD1-N 3.27Å; D311-K314 HydrophobicContact CB-CB 4.01Å; D311-K314 HydrophobicContact CB-CD 3.91Å; D311-K314 HydrophobicContact CB-CG 4.12Å; D311-K314 VanDerWaalsContact CG-CG 3.46Å; D311-K314 PolarHBondContact OD1-N 3.47Å; D311-K314 VanDerWaalsContact OD2-CD 3.22Å; D311-K314 WeakPolarHBondContact OD2-CD 3.16Å; D311-K314 VanDerWaalsContact OD2-CE 3.28Å; D311-K314 WeakPolarHBondContact OD2-CE 3.23Å; D311-K314 WeakPolarHBondContact OD2-CG 3.35Å; D311-K314 IonicContact OD2-NZ 3.68Å; D311-R315 WeakPolarHBondContact O-CB 3.49Å; D311-R315 PolarHBondContact O-N 3.18Å | ||
| 312 | V | 94.7 | Very high | 93.7 | Very high | 82 Ų | 82 | 63.9 Ų | 63.9 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.2 | -36.5 | -176.6 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | N316 | V312-N316 WeakPolarHBondContact O-CB 3.32Å; V312-N316 PolarHBondContact O-N 3.43Å; V312-N316 PolarHBondContact O-ND2 2.53Å; V312-N316 PolarHBondContact O-OD1 3.14Å |
| 313 | E | 95.1 | Very high | 93.9 | Very high | 152 Ų | 152 | 66 Ų | 66 | 71% | 0.71 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70.4 | -47 | -178.6 | -176.4 | 175.8 | -177.3 | 0 | 0 | 110.6 | D311 R315 N316 K317 | D311-E313 PolarHBondContact OD1-N 3.27Å; E313-R315 VanDerWaalsContact C-N 3.35Å; E313-R315 PolarHBondContact O-N 3.13Å; E313-N316 PolarHBondContact O-N 3.27Å; E313-K317 PolarHBondContact O-N 3.45Å |
| 314 | K | 97.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 69.1 Ų | 69.1 | 16% | 0.161 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.4 | -66 | 178.5 | -178.7 | -177 | 0 | 111.4 | V236 L237 E241 I307 D311 K317 I318 | V236-K314 HydrophobicContact CG1-CG 4.25Å; L237-K314 HydrophobicContact CD2-CB 3.93Å; L237-K314 HydrophobicContact CD2-CD 3.55Å; L237-K314 HydrophobicContact CD2-CG 3.75Å; E241-K314 IonicContact OE1-NZ 3.11Å; E241-K314 PolarHBondContact OE1-NZ 3.48Å; E241-K314 IonicContact OE2-NZ 3.84Å; E241-K314 PolarHBondContact OE2-NZ 3.27Å; I307-K314 HydrophobicContact CG2-CB 3.5Å; I307-K314 HydrophobicContact CG2-CD 3.81Å; I307-K314 HydrophobicContact CG2-CG 4.3Å; D311-K314 HydrophobicContact CB-CB 4.01Å; D311-K314 HydrophobicContact CB-CD 3.91Å; D311-K314 HydrophobicContact CB-CG 4.12Å; D311-K314 VanDerWaalsContact CG-CG 3.46Å; D311-K314 PolarHBondContact OD1-N 3.47Å; D311-K314 VanDerWaalsContact OD2-CD 3.22Å; D311-K314 WeakPolarHBondContact OD2-CD 3.16Å; D311-K314 VanDerWaalsContact OD2-CE 3.28Å; D311-K314 WeakPolarHBondContact OD2-CE 3.23Å; D311-K314 WeakPolarHBondContact OD2-CG 3.35Å; D311-K314 IonicContact OD2-NZ 3.68Å; K314-K317 PolarHBondContact O-N 2.91Å; K314-I318 WeakPolarHBondContact O-CG1 3.43Å; K314-I318 PolarHBondContact O-N 3.13Å |
| 315 | R | 96.3 | Very high | 93.3 | Very high | 72 Ų | 72 | 69.3 Ų | 69.3 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.8 | -52.7 | 174.9 | -175.4 | -160.7 | -43.8 | 175 | 1.3 | 111.9 | M308 R309 D311 E313 K317 I318 E319 | M308-R315 HydrophobicContact CB-CG 4.28Å; M308-R315 HydrophobicContact CE-CG 4.04Å; M308-R315 HydrophobicContact CG-CG 4.33Å; M308-R315 PolarHBondContact O-NE 2.98Å; M308-R315 PolarHBondContact O-NH2 2.8Å; R309-R315 PolarHBondContact O-NH2 3.44Å; D311-R315 WeakPolarHBondContact O-CB 3.49Å; D311-R315 PolarHBondContact O-N 3.18Å; E313-R315 VanDerWaalsContact C-N 3.35Å; E313-R315 PolarHBondContact O-N 3.13Å; R315-K317 PolarHBondContact O-N 2.99Å; R315-I318 PolarHBondContact O-N 3.17Å; R315-E319 HydrophobicContact CG-CG 4.44Å; R315-E319 WeakPolarHBondContact CG-OE1 3.44Å; R315-E319 WeakPolarHBondContact O-CG 3.29Å; R315-E319 PolarHBondContact O-N 2.88Å |
| 316 | N | 96.6 | Very high | 92.4 | Very high | 90 Ų | 90 | 72.1 Ų | 72.1 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.8 | -36.5 | 179.8 | -70.6 | -18.9 | 0 | 0 | 0 | 111.2 | V312 E313 L320 | V312-N316 WeakPolarHBondContact O-CB 3.32Å; V312-N316 PolarHBondContact O-N 3.43Å; V312-N316 PolarHBondContact O-ND2 2.53Å; V312-N316 PolarHBondContact O-OD1 3.14Å; E313-N316 PolarHBondContact O-N 3.27Å; N316-L320 VanDerWaalsContact O-CB 3.29Å; N316-L320 WeakPolarHBondContact O-CB 3.1Å; N316-L320 PolarHBondContact O-N 3.2Å |
| 317 | K | 96.8 | Very high | 91.8 | Very high | 68 Ų | 68 | 73.8 Ų | 73.8 | 30% | 0.296 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.7 | -41.6 | 175.5 | -170.7 | 71.6 | 178.5 | -179.9 | 0 | 112.7 | P232 L233 V236 E313 K314 R315 L320 C321 | P232-K317 VanDerWaalsContact O-CE 3.28Å; P232-K317 WeakPolarHBondContact O-CE 3.41Å; L233-K317 HydrophobicContact CD2-CB 4.3Å; L233-K317 HydrophobicContact CD2-CG 3.74Å; V236-K317 HydrophobicContact CB-CG 4.26Å; V236-K317 HydrophobicContact CG1-CB 3.87Å; V236-K317 HydrophobicContact CG1-CG 3.96Å; V236-K317 HydrophobicContact CG2-CD 4.26Å; V236-K317 HydrophobicContact CG2-CG 3.97Å; E313-K317 PolarHBondContact O-N 3.45Å; K314-K317 PolarHBondContact O-N 2.91Å; R315-K317 PolarHBondContact O-N 2.99Å; K317-L320 HydrophobicContact CD-CD2 4.42Å; K317-L320 WeakPolarHBondContact O-CB 3.36Å; K317-L320 PolarHBondContact O-N 3.14Å; K317-C321 PolarHBondContact O-N 2.68Å; K317-C321 PolarHBondContact O-SG 3.33Å |
| 318 | I | 96.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 176.4 | -68.6 | 167.1 | 0 | 0 | 0 | 110.4 | L233 I307 M308 K314 R315 L320 C321 Q322 L333 | L233-I318 HydrophobicContact CD1-CG1 4.19Å; L233-I318 HydrophobicContact CD2-CG1 3.8Å; I307-I318 HydrophobicContact CG2-CD1 3.9Å; M308-I318 HydrophobicContact CG-CD1 4.33Å; M308-I318 HydrophobicContact SD-CG2 4.44Å; K314-I318 WeakPolarHBondContact O-CG1 3.43Å; K314-I318 PolarHBondContact O-N 3.13Å; R315-I318 PolarHBondContact O-N 3.17Å; I318-L320 VanDerWaalsContact C-N 3.31Å; I318-L320 PolarHBondContact O-N 3.39Å; I318-C321 WeakPolarHBondContact O-CB 3.49Å; I318-C321 PolarHBondContact O-N 2.93Å; I318-C321 VanDerWaalsContact O-N 3.1Å; I318-Q322 PolarHBondContact O-N 3.32Å; I318-L333 HydrophobicContact CG2-CB 4.35Å; I318-L333 HydrophobicContact CG2-CD2 4.39Å |
| 319 | E | 95.4 | Very high | 90.7 | Very high | 87 Ų | 87 | 75.7 Ų | 75.7 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 175.7 | -70.7 | 174.4 | -177.6 | 0 | 0 | 111.9 | M308 R315 Q322 S323 | M308-E319 HydrophobicContact CE-CG 4.2Å; R315-E319 HydrophobicContact CG-CG 4.44Å; R315-E319 WeakPolarHBondContact CG-OE1 3.44Å; R315-E319 WeakPolarHBondContact O-CG 3.29Å; R315-E319 PolarHBondContact O-N 2.88Å; E319-Q322 PolarHBondContact O-N 2.93Å; E319-S323 PolarHBondContact O-N 3.41Å; E319-S323 PolarHBondContact O-OG 2.85Å |
| 320 | L | 94.6 | Very high | 90.6 | Very high | 81 Ų | 81 | 76.4 Ų | 76.4 | 42% | 0.424 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 170.9 | -178.3 | 62.8 | 0 | 0 | 0 | 111.7 | N316 K317 I318 Q322 S323 N324 | N316-L320 VanDerWaalsContact O-CB 3.29Å; N316-L320 WeakPolarHBondContact O-CB 3.1Å; N316-L320 PolarHBondContact O-N 3.2Å; K317-L320 HydrophobicContact CD-CD2 4.42Å; K317-L320 WeakPolarHBondContact O-CB 3.36Å; K317-L320 PolarHBondContact O-N 3.14Å; I318-L320 VanDerWaalsContact C-N 3.31Å; I318-L320 PolarHBondContact O-N 3.39Å; L320-Q322 VanDerWaalsContact C-N 3.3Å; L320-Q322 PolarHBondContact O-N 3.41Å; L320-S323 WeakPolarHBondContact CA-OG 3.34Å; L320-S323 PolarHBondContact O-N 3.16Å; L320-S323 PolarHBondContact O-OG 3.43Å; L320-N324 WeakPolarHBondContact O-CB 3.32Å; L320-N324 VanDerWaalsContact O-CG 3.23Å; L320-N324 PolarHBondContact O-N 3.46Å; L320-N324 VanDerWaalsContact O-N 3.12Å; L320-N324 PolarHBondContact O-ND2 3.33Å |
| 321 | C | 95 | Very high | 90.5 | Very high | 4 Ų | 4 | 72.8 Ų | 72.8 | 3% | 0.027 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 174.2 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | K228 Y229 K317 I318 N324 S325 | K228-C321 VanDerWaalsContact O-CB 3.29Å; K228-C321 WeakPolarHBondContact O-CB 3.29Å; Y229-C321 HydrophobicContact CD1-CB 3.62Å; Y229-C321 HydrophobicContact CE1-CB 3.83Å; Y229-C321 HydrophobicContact CG-CB 4.25Å; K317-C321 PolarHBondContact O-N 2.68Å; K317-C321 PolarHBondContact O-SG 3.33Å; I318-C321 WeakPolarHBondContact O-CB 3.49Å; I318-C321 PolarHBondContact O-N 2.93Å; I318-C321 VanDerWaalsContact O-N 3.1Å; C321-N324 PolarHBondContact O-N 3Å; C321-S325 PolarHBondContact O-N 2.94Å |
| 322 | Q | 93.8 | Very high | 90.3 | Very high | 39 Ų | 39 | 71.4 Ų | 71.4 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.5 | -179.8 | 177.3 | -18.6 | 0 | 0 | 112.8 | Y229 I318 E319 L320 N324 S325 N329 F331 | Y229-Q322 HydrophobicContact CE1-CB 4.36Å; Y229-Q322 VanDerWaalsContact OH-CA 3.3Å; Y229-Q322 WeakPolarHBondContact OH-CA 3.41Å; I318-Q322 PolarHBondContact O-N 3.32Å; E319-Q322 PolarHBondContact O-N 2.93Å; L320-Q322 VanDerWaalsContact C-N 3.3Å; L320-Q322 PolarHBondContact O-N 3.41Å; Q322-N324 PolarHBondContact O-N 3.27Å; Q322-S325 PolarHBondContact O-N 3.1Å; Q322-S325 VanDerWaalsContact O-N 3.13Å; Q322-S325 PolarHBondContact O-OG 2.98Å; Q322-N329 WeakPolarHBondContact CG-O 3.38Å; Q322-N329 PolarHBondContact NE2-O 3.33Å; Q322-N329 VanDerWaalsContact O-CA 3.29Å; Q322-N329 WeakPolarHBondContact O-CA 3.28Å; Q322-N329 WeakPolarHBondContact O-CB 3.47Å; Q322-F331 PolarHBondContact NE2-O 2.86Å |
| 323 | S | 91.8 | Very high | 90.3 | Very high | 67 Ų | 67 | 67.6 Ų | 67.6 | 47% | 0.469 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -30.2 | 175.6 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | E319 L320 S325 | E319-S323 PolarHBondContact O-N 3.41Å; E319-S323 PolarHBondContact O-OG 2.85Å; L320-S323 WeakPolarHBondContact CA-OG 3.34Å; L320-S323 PolarHBondContact O-N 3.16Å; L320-S323 PolarHBondContact O-OG 3.43Å; S323-S325 VanDerWaalsContact C-N 3.31Å; S323-S325 PolarHBondContact O-N 2.84Å |
| 324 | N | 90.7 | Very high | 90.2 | Very high | 89 Ų | 89 | 60.3 Ų | 60.3 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.5 | 176.5 | -70.3 | -33.6 | 0 | 0 | 0 | 114.4 | L320 C321 Q322 E326 | L320-N324 WeakPolarHBondContact O-CB 3.32Å; L320-N324 VanDerWaalsContact O-CG 3.23Å; L320-N324 PolarHBondContact O-N 3.46Å; L320-N324 VanDerWaalsContact O-N 3.12Å; L320-N324 PolarHBondContact O-ND2 3.33Å; C321-N324 PolarHBondContact O-N 3Å; Q322-N324 PolarHBondContact O-N 3.27Å; N324-E326 PolarHBondContact O-N 3.26Å |
| 325 | S | 84.6 | Confident | 89.9 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 4% | 0.035 | 31% | 0.305 | C | S | . | . | trans | -91.1 | 69.7 | 175.3 | 63.9 | 0 | 0 | 0 | 0 | 110.3 | Y229 C321 Q322 S323 K327 Y328 N329 | Y229-S325 PolarHBondContact OH-OG 2.87Å; C321-S325 PolarHBondContact O-N 2.94Å; Q322-S325 PolarHBondContact O-N 3.1Å; Q322-S325 VanDerWaalsContact O-N 3.13Å; Q322-S325 PolarHBondContact O-OG 2.98Å; S323-S325 VanDerWaalsContact C-N 3.31Å; S323-S325 PolarHBondContact O-N 2.84Å; S325-K327 VanDerWaalsContact C-N 3.3Å; S325-K327 PolarHBondContact O-N 3.44Å; S325-Y328 CarbonylContact O-C 3.54Å; S325-Y328 PolarHBondContact O-N 3.17Å; S325-N329 WeakPolarHBondContact O-CB 3.25Å; S325-N329 PolarHBondContact O-N 3.3Å | ||
| 326 | E | 70.6 | Confident | 89.8 | Confident | 172 Ų | 172 | 59.1 Ų | 59.1 | 80% | 0.804 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.9 | -49.1 | -170.1 | -65.3 | 175 | -172.5 | 0 | 0 | 115.6 | N324 Y328 | N324-E326 PolarHBondContact O-N 3.26Å; E326-Y328 VanDerWaalsContact C-N 3.35Å; E326-Y328 PolarHBondContact O-N 3.16Å |
| 327 | K | 76.7 | Confident | 89.7 | Confident | 129 Ų | 129 | 54.9 Ų | 54.9 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -23.7 | -178.1 | -67.9 | -176.2 | 179.5 | -178.1 | 0 | 114.3 | S325 | S325-K327 VanDerWaalsContact C-N 3.3Å; S325-K327 PolarHBondContact O-N 3.44Å |
| 328 | Y | 81.6 | Confident | 89.5 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | 11.5 | -165.3 | -47.9 | -54.3 | 0 | 0 | 0 | 113.3 | V185 V221 M224 S325 E326 K330 F331 | V185-Y328 HydrophobicContact CB-CD1 4.35Å; V185-Y328 HydrophobicContact CB-CE1 4.27Å; V185-Y328 HydrophobicContact CG1-CD1 3.82Å; V185-Y328 HydrophobicContact CG1-CE1 3.6Å; V185-Y328 HydrophobicContact CG1-CG 4.49Å; V185-Y328 HydrophobicContact CG2-CD1 4.07Å; V185-Y328 HydrophobicContact CG2-CE1 4.47Å; V221-Y328 HydrophobicContact CG2-CE2 3.91Å; M224-Y328 HydrophobicContact CE-CD2 3.7Å; M224-Y328 HydrophobicContact CE-CE2 4.4Å; M224-Y328 HydrophobicContact CE-CG 4.46Å; M224-Y328 HydrophobicContact CG-CD2 4.31Å; S325-Y328 CarbonylContact O-C 3.54Å; S325-Y328 PolarHBondContact O-N 3.17Å; E326-Y328 VanDerWaalsContact C-N 3.35Å; E326-Y328 PolarHBondContact O-N 3.16Å; Y328-K330 PolarHBondContact O-N 3.34Å; Y328-F331 PolarHBondContact O-N 2.87Å |
| 329 | N | 82.3 | Confident | 89.3 | Confident | 69 Ų | 69 | 52.1 Ų | 52.1 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -15.3 | -177.2 | 65.2 | -6.8 | 0 | 0 | 0 | 114.5 | Q322 S325 F331 | Q322-N329 WeakPolarHBondContact CG-O 3.38Å; Q322-N329 PolarHBondContact NE2-O 3.33Å; Q322-N329 VanDerWaalsContact O-CA 3.29Å; Q322-N329 WeakPolarHBondContact O-CA 3.28Å; Q322-N329 WeakPolarHBondContact O-CB 3.47Å; S325-N329 WeakPolarHBondContact O-CB 3.25Å; S325-N329 PolarHBondContact O-N 3.3Å; N329-F331 VanDerWaalsContact C-N 3.27Å |
| 330 | K | 86 | Confident | 89.3 | Confident | 177 Ų | 177 | 48 Ų | 48 | 77% | 0.77 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -18.3 | 174 | -60.7 | -176.3 | -177.7 | 178.8 | 0 | 113.5 | Y328 | Y328-K330 PolarHBondContact O-N 3.34Š|
| 331 | F | 89.7 | Confident | 89.1 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -108.6 | 135.2 | -174.9 | -56.1 | -64.7 | 0 | 0 | 0 | 110.9 | L181 T184 V185 Q322 Y328 N329 E335 L336 | L181-F331 HydrophobicContact CD1-CB 4.2Å; L181-F331 HydrophobicContact CD1-CD1 3.19Å; L181-F331 HydrophobicContact CD1-CD2 3.9Å; L181-F331 HydrophobicContact CD1-CE1 3.32Å; L181-F331 HydrophobicContact CD1-CE2 4.02Å; L181-F331 HydrophobicContact CD1-CG 3.49Å; L181-F331 VanDerWaalsContact CD1-CG 3.49Å; L181-F331 HydrophobicContact CD1-CZ 3.74Å; T184-F331 HydrophobicContact CG2-CE2 4.09Å; T184-F331 HydrophobicContact CG2-CZ 3.77Å; V185-F331 HydrophobicContact CG2-CD2 3.66Å; V185-F331 HydrophobicContact CG2-CE2 3.4Å; V185-F331 HydrophobicContact CG2-CZ 4.14Å; Q322-F331 PolarHBondContact NE2-O 2.86Å; Y328-F331 PolarHBondContact O-N 2.87Å; N329-F331 VanDerWaalsContact C-N 3.27Å; F331-E335 WeakPolarHBondContact CA-OE2 3.41Å; F331-L336 HydrophobicContact CB-CD2 3.76Å; F331-L336 HydrophobicContact CB-CG 3.94Å; F331-L336 HydrophobicContact CD2-CD2 4.35Å; F331-L336 HydrophobicContact CG-CD2 4.39Å |
| 332 | A | 91.4 | Very high | 88.9 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 21% | 0.207 | 23% | 0.232 | C | C | . | . | trans | -70.4 | 156.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | A334 E335 L336 | A332-A334 VanDerWaalsContact C-N 3.28Å; A332-A334 PolarHBondContact O-N 3.1Å; A332-E335 HydrophobicContact CB-CG 4.2Å; A332-E335 PolarHBondContact N-OE2 3.33Å; A332-E335 WeakPolarHBondContact O-CB 3.36Å; A332-E335 PolarHBondContact O-N 3.45Å; A332-L336 WeakPolarHBondContact O-CG 3.31Å; A332-L336 PolarHBondContact O-N 3.15Å | ||
| 333 | L | 94.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.9 | -44.5 | 178.2 | 174.8 | 58.4 | 0 | 0 | 0 | 112 | L225 Y229 L233 I245 F246 V304 I318 E335 L336 L337 | L225-L333 HydrophobicContact CD2-CD1 3.93Å; Y229-L333 HydrophobicContact CD1-CB 4.18Å; Y229-L333 HydrophobicContact CD1-CD1 3.73Å; Y229-L333 HydrophobicContact CD1-CD2 3.97Å; Y229-L333 HydrophobicContact CD1-CG 4.17Å; Y229-L333 HydrophobicContact CD2-CD1 4.33Å; Y229-L333 HydrophobicContact CE1-CB 3.88Å; Y229-L333 HydrophobicContact CE1-CD1 4.06Å; Y229-L333 HydrophobicContact CE1-CD2 4.49Å; Y229-L333 HydrophobicContact CE1-CG 4.35Å; Y229-L333 HydrophobicContact CG-CD1 3.85Å; L233-L333 HydrophobicContact CD1-CD2 4.47Å; I245-L333 HydrophobicContact CG2-CD2 4.44Å; F246-L333 HydrophobicContact CE1-CD1 4.12Å; F246-L333 HydrophobicContact CZ-CD1 4.26Å; F246-L333 HydrophobicContact CZ-CD2 4Å; V304-L333 HydrophobicContact CG1-CB 4.44Å; V304-L333 HydrophobicContact CG1-CD2 4.45Å; V304-L333 HydrophobicContact CG2-CD2 4.07Å; V304-L333 HydrophobicContact CG2-CG 4.37Å; I318-L333 HydrophobicContact CG2-CB 4.35Å; I318-L333 HydrophobicContact CG2-CD2 4.39Å; L333-E335 VanDerWaalsContact C-N 3.28Å; L333-E335 PolarHBondContact O-N 3.22Å; L333-L336 PolarHBondContact O-N 2.86Å; L333-L337 HydrophobicContact CD1-CG 4.4Å; L333-L337 WeakPolarHBondContact O-CG 3.5Å; L333-L337 PolarHBondContact O-N 3.05Å; L333-L337 VanDerWaalsContact O-N 3.13Å |
| 334 | A | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -36.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q301 V304 Y305 A332 | Q301-A334 HydrophobicContact CB-CB 4.36Å; Q301-A334 HydrophobicContact CG-CB 4.24Å; Q301-A334 PolarHBondContact NE2-O 2.87Å; V304-A334 HydrophobicContact CB-CB 4.42Å; V304-A334 HydrophobicContact CG1-CB 4.17Å; Y305-A334 HydrophobicContact CD1-CB 4.41Å; Y305-A334 HydrophobicContact CE1-CB 3.65Å; Y305-A334 HydrophobicContact CE2-CB 4.08Å; Y305-A334 VanDerWaalsContact CZ-CB 3.45Å; Y305-A334 WeakPolarHBondContact OH-CB 3.37Å; A332-A334 VanDerWaalsContact C-N 3.28Å; A332-A334 PolarHBondContact O-N 3.1Å |
| 335 | E | 91.5 | Very high | 89.1 | Confident | 83 Ų | 83 | 41 Ų | 41 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68 | -46.5 | 176.3 | -62.4 | 175.4 | 146.7 | 0 | 0 | 110.8 | L181 F331 A332 L333 L337 T338 | L181-E335 HydrophobicContact CD2-CB 4.1Å; L181-E335 VanDerWaalsContact CD2-O 3.24Å; L181-E335 WeakPolarHBondContact CD2-O 3.13Å; F331-E335 WeakPolarHBondContact CA-OE2 3.41Å; A332-E335 HydrophobicContact CB-CG 4.2Å; A332-E335 PolarHBondContact N-OE2 3.33Å; A332-E335 WeakPolarHBondContact O-CB 3.36Å; A332-E335 PolarHBondContact O-N 3.45Å; L333-E335 VanDerWaalsContact C-N 3.28Å; L333-E335 PolarHBondContact O-N 3.22Å; E335-L337 PolarHBondContact O-N 3.37Å; E335-T338 VanDerWaalsContact O-CB 3.24Å; E335-T338 WeakPolarHBondContact O-CB 3.38Å; E335-T338 PolarHBondContact O-N 3.32Å; E335-T338 PolarHBondContact O-OG1 3.21Å |
| 336 | L | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -31.2 | 179.4 | -67 | 171.4 | 0 | 0 | 0 | 113 | M224 L225 Y229 F331 A332 L333 T338 I339 | M224-L336 HydrophobicContact CE-CD1 3.93Å; L225-L336 HydrophobicContact CD2-CB 4.02Å; L225-L336 HydrophobicContact CD2-CD1 4.48Å; Y229-L336 HydrophobicContact CE2-CD1 3.97Å; Y229-L336 WeakPolarHBondContact OH-CD1 3.45Å; F331-L336 HydrophobicContact CB-CD2 3.76Å; F331-L336 HydrophobicContact CB-CG 3.94Å; F331-L336 HydrophobicContact CD2-CD2 4.35Å; F331-L336 HydrophobicContact CG-CD2 4.39Å; A332-L336 WeakPolarHBondContact O-CG 3.31Å; A332-L336 PolarHBondContact O-N 3.15Å; L333-L336 PolarHBondContact O-N 2.86Å; L336-T338 PolarHBondContact O-N 3.24Å; L336-I339 HydrophobicContact CB-CD1 4.41Å; L336-I339 HydrophobicContact CD2-CD1 3.71Å; L336-I339 WeakPolarHBondContact O-CB 3.24Å; L336-I339 WeakPolarHBondContact O-CG1 3.49Å; L336-I339 PolarHBondContact O-N 2.93Å |
| 337 | L | 95.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -10 | 172.7 | -65.2 | 172.8 | 0 | 0 | 0 | 112.9 | L225 I245 I249 Y293 L297 A300 L333 E335 P340 | L225-L337 HydrophobicContact CD1-CD2 4.48Å; I245-L337 HydrophobicContact CG2-CD1 4.14Å; I249-L337 HydrophobicContact CD1-CD2 4Å; I249-L337 HydrophobicContact CG1-CD2 4.31Å; Y293-L337 PolarHBondContact OH-O 2.66Å; L297-L337 HydrophobicContact CD1-CB 3.7Å; L297-L337 WeakPolarHBondContact CD1-O 3.39Å; A300-L337 HydrophobicContact CB-CD1 4.43Å; L333-L337 HydrophobicContact CD1-CG 4.4Å; L333-L337 WeakPolarHBondContact O-CG 3.5Å; L333-L337 PolarHBondContact O-N 3.05Å; L333-L337 VanDerWaalsContact O-N 3.13Å; E335-L337 PolarHBondContact O-N 3.37Å; L337-P340 WeakPolarHBondContact O-CD 3.27Å |
| 338 | T | 91.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.067 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.7 | 174.3 | -50.2 | 0 | 0 | 0 | 0 | 112.4 | K178 Q301 E335 L336 I341 Q342 | K178-T338 HydrophobicContact CB-CG2 4.41Å; K178-T338 HydrophobicContact CD-CG2 4.03Å; K178-T338 HydrophobicContact CG-CG2 4.1Å; Q301-T338 PolarHBondContact NE2-OG1 3.23Å; E335-T338 VanDerWaalsContact O-CB 3.24Å; E335-T338 WeakPolarHBondContact O-CB 3.38Å; E335-T338 PolarHBondContact O-N 3.32Å; E335-T338 PolarHBondContact O-OG1 3.21Å; L336-T338 PolarHBondContact O-N 3.24Å; T338-I341 HydrophobicContact CG2-CG2 3.87Å; T338-I341 WeakPolarHBondContact O-CG2 3.33Å; T338-I341 PolarHBondContact O-N 2.98Å; T338-Q342 HydrophobicContact CG2-CG 4.45Å; T338-Q342 PolarHBondContact O-N 3.01Å |
| 339 | I | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | -174.5 | -63.8 | 167 | 0 | 0 | 0 | 113.1 | L181 Y182 V185 V186 Y218 V221 L336 I341 Q342 R343 | L181-I339 HydrophobicContact CD2-CG1 4.28Å; L181-I339 HydrophobicContact CG-CG1 4.36Å; Y182-I339 HydrophobicContact CD2-CG2 4.29Å; V185-I339 HydrophobicContact CB-CD1 3.98Å; V185-I339 HydrophobicContact CG1-CD1 3.52Å; V185-I339 HydrophobicContact CG2-CD1 4.11Å; V186-I339 HydrophobicContact CG2-CG2 3.67Å; Y218-I339 HydrophobicContact CD2-CG2 3.99Å; Y218-I339 HydrophobicContact CE2-CG2 4.02Å; V221-I339 HydrophobicContact CG1-CD1 3.9Å; V221-I339 HydrophobicContact CG1-CG2 4.4Å; L336-I339 HydrophobicContact CB-CD1 4.41Å; L336-I339 HydrophobicContact CD2-CD1 3.71Å; L336-I339 WeakPolarHBondContact O-CB 3.24Å; L336-I339 WeakPolarHBondContact O-CG1 3.49Å; L336-I339 PolarHBondContact O-N 2.93Å; I339-I341 PolarHBondContact O-N 3.28Å; I339-Q342 PolarHBondContact O-N 2.94Å; I339-R343 PolarHBondContact O-N 2.81Å |
| 340 | P | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | -179.6 | -29.2 | 39.4 | 0 | 0 | 0 | 114.1 | Y218 L222 L252 Y290 Y293 L337 Q342 R343 V344 | Y218-P340 HydrophobicContact CE2-CB 4.34Å; Y218-P340 HydrophobicContact CE2-CG 4.22Å; Y218-P340 VanDerWaalsContact OH-CA 3.23Å; Y218-P340 WeakPolarHBondContact OH-CA 3.26Å; Y218-P340 WeakPolarHBondContact OH-CB 3.47Å; L222-P340 HydrophobicContact CD2-CG 4.1Å; L252-P340 HydrophobicContact CD1-CB 4.07Å; L252-P340 HydrophobicContact CD1-CG 4.44Å; Y290-P340 HydrophobicContact CE1-CB 3.71Å; Y290-P340 WeakPolarHBondContact CE1-O 3.36Å; Y293-P340 HydrophobicContact CD1-CB 4.2Å; Y293-P340 HydrophobicContact CE1-CB 3.53Å; Y293-P340 HydrophobicContact CE1-CG 4Å; Y293-P340 WeakPolarHBondContact OH-CG 3.45Å; L337-P340 WeakPolarHBondContact O-CD 3.27Å; P340-Q342 PolarHBondContact O-N 2.9Å; P340-R343 PolarHBondContact O-N 3.31Å; P340-R343 VanDerWaalsContact O-N 3.13Å; P340-V344 PolarHBondContact O-N 2.91Å |
| 341 | I | 90.5 | Very high | 93.5 | Very high | 47 Ų | 47 | 21.6 Ų | 21.6 | 24% | 0.241 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.9 | -33.2 | 179 | -177.9 | 171.6 | 0 | 0 | 0 | 111.1 | C294 L297 T338 I339 V344 L345 | C294-I341 HydrophobicContact CB-CD1 4.25Å; C294-I341 WeakPolarHBondContact SG-CD1 3.48Å; C294-I341 VanDerWaalsContact SG-CG1 3.57Å; L297-I341 HydrophobicContact CD2-CG2 3.98Å; T338-I341 HydrophobicContact CG2-CG2 3.87Å; T338-I341 WeakPolarHBondContact O-CG2 3.33Å; T338-I341 PolarHBondContact O-N 2.98Å; I339-I341 PolarHBondContact O-N 3.28Å; I341-V344 WeakPolarHBondContact O-CG1 3.28Å; I341-L345 VanDerWaalsContact O-CG 3.32Å; I341-L345 WeakPolarHBondContact O-CG 3.34Å |
| 342 | Q | 90.8 | Very high | 93.9 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.9 | -41.1 | 175.9 | -60.2 | -175.7 | -88.6 | 0 | 0 | 111.8 | K178 E179 Y182 T338 I339 P340 V344 L345 K346 | K178-Q342 PolarHBondContact O-NE2 2.86Å; K178-Q342 PolarHBondContact O-OE1 2.77Å; E179-Q342 VanDerWaalsContact CA-NE2 3.3Å; Y182-Q342 VanDerWaalsContact CB-NE2 3.34Å; Y182-Q342 HydrophobicContact CD2-CB 3.64Å; Y182-Q342 HydrophobicContact CE2-CB 4.4Å; Y182-Q342 HydrophobicContact CG-CB 3.98Å; T338-Q342 HydrophobicContact CG2-CG 4.45Å; T338-Q342 PolarHBondContact O-N 3.01Å; I339-Q342 PolarHBondContact O-N 2.94Å; P340-Q342 PolarHBondContact O-N 2.9Å; Q342-V344 PolarHBondContact O-N 3.16Å; Q342-L345 PolarHBondContact O-N 3.5Å; Q342-K346 WeakPolarHBondContact O-CG 3.29Å; Q342-K346 PolarHBondContact O-N 3.15Å |
| 343 | R | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | -179 | 179.3 | 59.8 | 177.9 | 170 | -1.9 | 112.2 | Y182 I211 T214 E215 Y218 I339 P340 L345 K346 Y347 | Y182-R343 HydrophobicContact CE2-CB 3.93Å; Y182-R343 WeakPolarHBondContact OH-CD 3.34Å; Y182-R343 PolarHBondContact OH-NH1 3.21Å; I211-R343 PolarHBondContact O-NH2 2.93Å; T214-R343 VanDerWaalsContact CB-NH1 3.3Å; T214-R343 PolarHBondContact OG1-NH1 2.85Å; T214-R343 PolarHBondContact OG1-NH2 3.47Å; E215-R343 VanDerWaalsContact CA-NH2 3.26Å; E215-R343 VanDerWaalsContact N-NH2 3.11Å; E215-R343 IonicContact OE2-CZ 2.72Å; E215-R343 IonicContact OE2-NE 3.01Å; E215-R343 PolarHBondContact OE2-NE 3.11Å; E215-R343 VanDerWaalsContact OE2-NE 3.11Å; E215-R343 IonicContact OE2-NH2 2.79Å; E215-R343 PolarHBondContact OE2-NH2 3.49Å; Y218-R343 HydrophobicContact CD1-CB 4.33Å; Y218-R343 HydrophobicContact CD1-CG 3.59Å; Y218-R343 HydrophobicContact CD2-CB 3.96Å; Y218-R343 HydrophobicContact CD2-CG 4Å; Y218-R343 HydrophobicContact CE1-CB 4.15Å; Y218-R343 HydrophobicContact CE1-CG 3.72Å; Y218-R343 HydrophobicContact CE2-CB 3.84Å; Y218-R343 HydrophobicContact CE2-CG 4.19Å; Y218-R343 HydrophobicContact CG-CB 4.21Å; Y218-R343 HydrophobicContact CG-CG 3.71Å; I339-R343 PolarHBondContact O-N 2.81Å; P340-R343 PolarHBondContact O-N 3.31Å; P340-R343 VanDerWaalsContact O-N 3.13Å; R343-L345 PolarHBondContact O-N 3.41Å; R343-K346 WeakPolarHBondContact O-CB 3.35Å; R343-K346 PolarHBondContact O-N 2.69Å; R343-Y347 HydrophobicContact CG-CE2 4.17Å; R343-Y347 WeakPolarHBondContact CG-OH 3.11Å; R343-Y347 PolarHBondContact NE-OH 3Å; R343-Y347 VanDerWaalsContact NE-OH 3.16Å |
| 344 | V | 94.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.2 | -27.7 | -176.4 | 68.7 | 0 | 0 | 0 | 0 | 112.2 | Y290 P340 I341 Q342 K346 Y347 V378 I382 | Y290-V344 HydrophobicContact CD1-CB 3.79Å; Y290-V344 HydrophobicContact CD1-CG1 3.59Å; Y290-V344 HydrophobicContact CD1-CG2 4.31Å; Y290-V344 HydrophobicContact CD2-CB 4.07Å; Y290-V344 HydrophobicContact CD2-CG2 3.79Å; Y290-V344 HydrophobicContact CE1-CB 3.84Å; Y290-V344 HydrophobicContact CE1-CG1 4Å; Y290-V344 HydrophobicContact CE2-CB 4.1Å; Y290-V344 HydrophobicContact CE2-CG2 4.1Å; Y290-V344 HydrophobicContact CG-CB 3.89Å; Y290-V344 HydrophobicContact CG-CG1 3.9Å; Y290-V344 HydrophobicContact CG-CG2 3.88Å; P340-V344 PolarHBondContact O-N 2.91Å; I341-V344 WeakPolarHBondContact O-CG1 3.28Å; Q342-V344 PolarHBondContact O-N 3.16Å; V344-K346 VanDerWaalsContact C-N 3.34Å; V344-Y347 HydrophobicContact CG2-CD2 4.45Å; V344-V378 HydrophobicContact CG2-CG1 4.08Å; V344-I382 HydrophobicContact CB-CD1 4.26Å; V344-I382 HydrophobicContact CG1-CD1 3.75Å; V344-I382 HydrophobicContact CG2-CD1 3.49Å; V344-I382 VanDerWaalsContact CG2-CD1 3.49Å |
| 345 | L | 91.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 26.4 Ų | 26.4 | 36% | 0.356 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -79 | -10.9 | 175.3 | -60.8 | 176 | 0 | 0 | 0 | 113.7 | I341 Q342 R343 H348 A379 | I341-L345 VanDerWaalsContact O-CG 3.32Å; I341-L345 WeakPolarHBondContact O-CG 3.34Å; Q342-L345 PolarHBondContact O-N 3.5Å; R343-L345 PolarHBondContact O-N 3.41Å; L345-H348 PolarHBondContact O-CD2 3.3Å; L345-H348 VanDerWaalsContact O-CD2 3.31Å; L345-H348 PolarHBondContact O-NE2 3.46Å; L345-A379 HydrophobicContact CD2-CB 4Å |
| 346 | K | 92.9 | Very high | 94.6 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 14% | 0.135 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -84.6 | -24.8 | 176.6 | -58.5 | -50.7 | 172.5 | -175.8 | 0 | 114 | E179 Y182 Q342 R343 V344 H348 L349 L350 | E179-K346 WeakPolarHBondContact OE1-CE 3.46Å; E179-K346 IonicContact OE1-NZ 3.01Å; E179-K346 PolarHBondContact OE1-NZ 3.09Å; E179-K346 IonicContact OE2-NZ 2.8Å; E179-K346 PolarHBondContact OE2-NZ 3.32Å; Y182-K346 HydrophobicContact CD1-CG 4.46Å; Y182-K346 HydrophobicContact CE1-CD 4.24Å; Y182-K346 HydrophobicContact CE1-CG 3.67Å; Y182-K346 HydrophobicContact CE2-CG 4.43Å; Q342-K346 WeakPolarHBondContact O-CG 3.29Å; Q342-K346 PolarHBondContact O-N 3.15Å; R343-K346 WeakPolarHBondContact O-CB 3.35Å; R343-K346 PolarHBondContact O-N 2.69Å; V344-K346 VanDerWaalsContact C-N 3.34Å; K346-H348 PolarHBondContact O-N 3.29Å; K346-L349 HydrophobicContact CD-CD1 4.25Å; K346-L349 PolarHBondContact O-N 3.13Å; K346-L350 HydrophobicContact CB-CD1 4.25Å; K346-L350 WeakPolarHBondContact O-CG 3.24Å; K346-L350 PolarHBondContact O-N 3.27Å |
| 347 | Y | 96.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | -172.6 | -65.8 | -55.3 | 0 | 0 | 0 | 113.4 | E215 H256 F259 F280 L287 R343 V344 L349 L350 L351 | E215-Y347 PolarHBondContact OE1-OH 2.96Å; E215-Y347 WeakPolarHBondContact OE2-CE1 3.46Å; E215-Y347 PolarHBondContact OE2-OH 2.8Å; H256-Y347 AromaticContact CE1-CZ 3.89Å; H256-Y347 PolarHBondContact CE1-OH 3.47Å; H256-Y347 PolarHBondContact ND1-OH 2.78Å; F259-Y347 HydrophobicContact CE1-CD1 4.33Å; F259-Y347 AromaticContact CE1-CE1 3.62Å; F259-Y347 HydrophobicContact CE1-CE1 3.62Å; F259-Y347 AromaticContact CE1-CZ 3.92Å; F259-Y347 HydrophobicContact CZ-CE1 4.29Å; F280-Y347 AromaticContact CE1-CD1 3.85Å; F280-Y347 HydrophobicContact CE1-CD1 3.85Å; F280-Y347 HydrophobicContact CE1-CG 4.26Å; L287-Y347 HydrophobicContact CD1-CD2 4.44Å; R343-Y347 HydrophobicContact CG-CE2 4.17Å; R343-Y347 WeakPolarHBondContact CG-OH 3.11Å; R343-Y347 PolarHBondContact NE-OH 3Å; R343-Y347 VanDerWaalsContact NE-OH 3.16Å; V344-Y347 HydrophobicContact CG2-CD2 4.45Å; Y347-L349 VanDerWaalsContact C-N 3.35Å; Y347-L350 PolarHBondContact O-N 3.28Å; Y347-L351 WeakPolarHBondContact O-CB 3.24Å; Y347-L351 WeakPolarHBondContact O-CG 3.43Å; Y347-L351 PolarHBondContact O-N 3.29Å |
| 348 | H | 95.9 | Very high | 94.5 | Very high | 37 Ų | 37 | 32 Ų | 32 | 17% | 0.171 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -36 | 178.7 | 72.3 | 84.1 | 0 | 0 | 0 | 112.1 | L345 K346 L351 E352 H372 M375 R376 | L345-H348 PolarHBondContact O-CD2 3.3Å; L345-H348 VanDerWaalsContact O-CD2 3.31Å; L345-H348 PolarHBondContact O-NE2 3.46Å; K346-H348 PolarHBondContact O-N 3.29Å; H348-L351 PolarHBondContact O-N 3.12Å; H348-E352 WeakPolarHBondContact O-CB 3.47Å; H348-E352 PolarHBondContact O-N 3.01Å; H348-H372 PolarHBondContact O-CD2 3.08Å; H348-M375 HydrophobicContact CB-CB 4.02Å; H348-R376 HydrophobicContact CB-CB 4.47Å; H348-R376 HydrophobicContact CB-CG 3.66Å |
| 349 | L | 94.7 | Very high | 94.5 | Very high | 79 Ų | 79 | 34.6 Ų | 34.6 | 41% | 0.414 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.6 | -44.7 | 176.8 | -59.2 | 176.2 | 0 | 0 | 0 | 111.6 | K346 Y347 E352 H353 | K346-L349 HydrophobicContact CD-CD1 4.25Å; K346-L349 PolarHBondContact O-N 3.13Å; Y347-L349 VanDerWaalsContact C-N 3.35Å; L349-E352 PolarHBondContact O-N 3.35Å; L349-H353 PolarHBondContact O-N 2.83Å |
| 350 | L | 96.5 | Very high | 94.3 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 176.7 | -70 | 168.5 | 0 | 0 | 0 | 111.5 | E210 I211 K346 Y347 H353 L354 | E210-L350 HydrophobicContact CG-CD2 4.33Å; E210-L350 WeakPolarHBondContact OE1-CD2 3.48Å; I211-L350 HydrophobicContact CD1-CB 4.27Å; I211-L350 HydrophobicContact CG1-CB 3.9Å; I211-L350 HydrophobicContact CG1-CD1 4.09Å; I211-L350 HydrophobicContact CG1-CD2 4.44Å; I211-L350 HydrophobicContact CG1-CG 4.38Å; K346-L350 HydrophobicContact CB-CD1 4.25Å; K346-L350 WeakPolarHBondContact O-CG 3.24Å; K346-L350 PolarHBondContact O-N 3.27Å; Y347-L350 PolarHBondContact O-N 3.28Å; L350-H353 PolarHBondContact O-N 3.21Å; L350-L354 WeakPolarHBondContact O-CB 3.49Å; L350-L354 PolarHBondContact O-N 3.19Å |
| 351 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -35.3 | 175.7 | -75.6 | 175.9 | 0 | 0 | 0 | 112.9 | F280 Y347 H348 L354 C355 L368 A371 H372 M375 | F280-L351 HydrophobicContact CB-CD1 4.43Å; F280-L351 HydrophobicContact CD1-CD1 3.79Å; F280-L351 HydrophobicContact CD2-CD1 4.17Å; F280-L351 HydrophobicContact CD2-CD2 3.91Å; F280-L351 HydrophobicContact CD2-CG 4.47Å; F280-L351 HydrophobicContact CE1-CD1 3.96Å; F280-L351 HydrophobicContact CE1-CG 4.22Å; F280-L351 HydrophobicContact CE2-CD1 4.37Å; F280-L351 HydrophobicContact CE2-CD2 3.69Å; F280-L351 HydrophobicContact CE2-CG 4.25Å; F280-L351 HydrophobicContact CG-CD1 3.88Å; F280-L351 HydrophobicContact CG-CD2 4.47Å; F280-L351 HydrophobicContact CZ-CD1 4.26Å; F280-L351 HydrophobicContact CZ-CD2 4.02Å; F280-L351 HydrophobicContact CZ-CG 4.1Å; Y347-L351 WeakPolarHBondContact O-CB 3.24Å; Y347-L351 WeakPolarHBondContact O-CG 3.43Å; Y347-L351 PolarHBondContact O-N 3.29Å; H348-L351 PolarHBondContact O-N 3.12Å; L351-L354 HydrophobicContact CD2-CD2 4.44Å; L351-L354 PolarHBondContact O-N 3.19Å; L351-C355 VanDerWaalsContact O-CB 3.31Å; L351-C355 WeakPolarHBondContact O-CB 3.49Å; L351-C355 PolarHBondContact O-N 3.25Å; L351-C355 PolarHBondContact O-SG 2.81Å; L351-L368 HydrophobicContact CD2-CD2 4.34Å; L351-A371 HydrophobicContact CD1-CB 4.22Å; L351-H372 HydrophobicContact CB-CB 3.95Å; L351-M375 HydrophobicContact CD1-CB 4.08Å; L351-M375 HydrophobicContact CD1-CG 3.54Å |
| 352 | E | 97.6 | Very high | 94.3 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 173.6 | -167.1 | -172 | 160.1 | 0 | 0 | 110.6 | H348 L349 C355 K356 | H348-E352 WeakPolarHBondContact O-CB 3.47Å; H348-E352 PolarHBondContact O-N 3.01Å; L349-E352 PolarHBondContact O-N 3.35Å; E352-C355 WeakPolarHBondContact O-CB 3.5Å; E352-C355 PolarHBondContact O-N 3.25Å; E352-K356 WeakPolarHBondContact O-CG 3.45Å; E352-K356 PolarHBondContact O-N 3.39Å; E352-K356 VanDerWaalsContact OE1-CE 3.25Å; E352-K356 WeakPolarHBondContact OE1-CE 3.46Å; E352-K356 IonicContact OE1-NZ 3.94Å; E352-K356 PolarHBondContact OE1-NZ 2.91Å |
| 353 | H | 96 | Very high | 94.2 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 40% | 0.398 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.4 | -173.7 | -161.4 | 0 | 0 | 0 | 111.3 | L349 L350 C355 K356 L357 | L349-H353 PolarHBondContact O-N 2.83Å; L350-H353 PolarHBondContact O-N 3.21Å; H353-C355 VanDerWaalsContact C-N 3.3Å; H353-C355 PolarHBondContact O-N 3.03Å; H353-K356 WeakPolarHBondContact O-CB 3.26Å; H353-K356 PolarHBondContact O-N 3.33Å; H353-K356 VanDerWaalsContact O-N 3.11Å; H353-L357 WeakPolarHBondContact NE2-CD1 3.48Å; H353-L357 WeakPolarHBondContact O-CG 2.96Å; H353-L357 PolarHBondContact O-N 3.31Å |
| 354 | L | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 176.6 | -176.8 | 59 | 0 | 0 | 0 | 112.4 | R204 C207 I208 I211 L276 L350 L351 L357 T358 L368 | R204-L354 HydrophobicContact CG-CD1 3.75Å; C207-L354 HydrophobicContact CB-CD1 4.42Å; I208-L354 HydrophobicContact CD1-CD1 4.24Å; I208-L354 HydrophobicContact CG1-CD1 3.76Å; I208-L354 HydrophobicContact CG1-CD2 4.18Å; I211-L354 HydrophobicContact CD1-CD2 4.13Å; L276-L354 HydrophobicContact CD2-CD2 3.44Å; L276-L354 VanDerWaalsContact CD2-CD2 3.44Å; L350-L354 WeakPolarHBondContact O-CB 3.49Å; L350-L354 PolarHBondContact O-N 3.19Å; L351-L354 HydrophobicContact CD2-CD2 4.44Å; L351-L354 PolarHBondContact O-N 3.19Å; L354-L357 PolarHBondContact O-N 2.89Å; L354-T358 WeakPolarHBondContact O-CB 3.29Å; L354-T358 PolarHBondContact O-N 3.02Å; L354-T358 PolarHBondContact O-OG1 2.65Å; L354-L368 HydrophobicContact CD2-CD1 4.31Å; L354-L368 HydrophobicContact CD2-CD2 3.82Å; L354-L368 HydrophobicContact CG-CD1 4.23Å |
| 355 | C | 96.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 173.1 | -80.3 | 0 | 0 | 0 | 0 | 111.7 | L351 E352 H353 L357 T358 R365 | L351-C355 VanDerWaalsContact O-CB 3.31Å; L351-C355 WeakPolarHBondContact O-CB 3.49Å; L351-C355 PolarHBondContact O-N 3.25Å; L351-C355 PolarHBondContact O-SG 2.81Å; E352-C355 WeakPolarHBondContact O-CB 3.5Å; E352-C355 PolarHBondContact O-N 3.25Å; H353-C355 VanDerWaalsContact C-N 3.3Å; H353-C355 PolarHBondContact O-N 3.03Å; C355-L357 VanDerWaalsContact C-N 3.32Å; C355-L357 PolarHBondContact O-N 3.33Å; C355-T358 PolarHBondContact O-N 3.37Å; C355-R365 VanDerWaalsContact CB-NH1 3.34Å; C355-R365 PolarHBondContact O-NE 2.65Å; C355-R365 VanDerWaalsContact O-NE 3.17Å; C355-R365 PolarHBondContact O-NH2 3.34Å |
| 356 | K | 94.8 | Very high | 93.9 | Very high | 143 Ų | 143 | 57.4 Ų | 57.4 | 62% | 0.622 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.3 | -36 | 177.4 | -70.7 | 171.2 | -175.7 | 166.9 | 0 | 112.2 | E352 H353 T358 | E352-K356 WeakPolarHBondContact O-CG 3.45Å; E352-K356 PolarHBondContact O-N 3.39Å; E352-K356 VanDerWaalsContact OE1-CE 3.25Å; E352-K356 WeakPolarHBondContact OE1-CE 3.46Å; E352-K356 IonicContact OE1-NZ 3.94Å; E352-K356 PolarHBondContact OE1-NZ 2.91Å; H353-K356 WeakPolarHBondContact O-CB 3.26Å; H353-K356 PolarHBondContact O-N 3.33Å; H353-K356 VanDerWaalsContact O-N 3.11Å; K356-T358 VanDerWaalsContact C-N 3.34Å |
| 357 | L | 94.2 | Very high | 94 | Very high | 53 Ų | 53 | 58.1 Ų | 58.1 | 28% | 0.277 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -80.3 | -10.8 | 178.3 | -66.1 | 176.2 | 0 | 0 | 0 | 114.2 | A203 R204 C207 H353 L354 C355 | A203-L357 HydrophobicContact CB-CD1 4.31Å; A203-L357 HydrophobicContact CB-CD2 3.96Å; R204-L357 HydrophobicContact CB-CB 4.36Å; C207-L357 HydrophobicContact CB-CD1 3.8Å; H353-L357 WeakPolarHBondContact NE2-CD1 3.48Å; H353-L357 WeakPolarHBondContact O-CG 2.96Å; H353-L357 PolarHBondContact O-N 3.31Å; L354-L357 PolarHBondContact O-N 2.89Å; C355-L357 VanDerWaalsContact C-N 3.32Å; C355-L357 PolarHBondContact O-N 3.33Å |
| 358 | T | 92.8 | Very high | 94 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -95.4 | 122.6 | -178.7 | -61 | 0 | 0 | 0 | 0 | 109.8 | R204 L354 C355 K356 H362 R365 L368 | R204-T358 PolarHBondContact NE-OG1 2.93Å; L354-T358 WeakPolarHBondContact O-CB 3.29Å; L354-T358 PolarHBondContact O-N 3.02Å; L354-T358 PolarHBondContact O-OG1 2.65Å; C355-T358 PolarHBondContact O-N 3.37Å; K356-T358 VanDerWaalsContact C-N 3.34Å; T358-H362 HydrophobicContact CG2-CB 3.58Å; T358-R365 HydrophobicContact CG2-CB 4.12Å; T358-R365 VanDerWaalsContact O-CD 3.32Å; T358-R365 WeakPolarHBondContact O-CD 3.14Å; T358-R365 PolarHBondContact O-NE 2.97Å; T358-L368 HydrophobicContact CG2-CD1 4.21Å |
| 359 | P | 91.9 | Very high | 94.1 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | trans | -54.8 | 151.2 | 178.1 | -27 | 35.2 | 0 | 0 | 0 | 113.2 | D361 H362 | P359-D361 WeakPolarHBondContact CB-OD1 3.45Å; P359-D361 PolarHBondContact O-N 2.8Å; P359-H362 HydrophobicContact CB-CB 4.27Å; P359-H362 VanDerWaalsContact O-CB 3.25Å; P359-H362 WeakPolarHBondContact O-CB 3.46Å; P359-H362 PolarHBondContact O-N 3.38Å; P359-H362 VanDerWaalsContact O-N 3.14Å | ||
| 360 | A | 89.7 | Confident | 94.1 | Very high | 97 Ų | 97 | 59.1 Ų | 59.1 | 80% | 0.802 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 361 | D | 92.2 | Very high | 94.1 | Very high | 148 Ų | 148 | 58.3 Ų | 58.3 | 79% | 0.791 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -3.9 | 178.6 | 62.3 | -31.6 | 0 | 0 | 0 | 113.5 | P359 | P359-D361 WeakPolarHBondContact CB-OD1 3.45Å; P359-D361 PolarHBondContact O-N 2.8Å |
| 362 | H | 91.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 22% | 0.218 | 31% | 0.311 | C | S | . | . | trans | -69.4 | 134.3 | 178.6 | -169.2 | -69.8 | 0 | 0 | 0 | 110.7 | R204 T358 P359 D364 R365 | R204-H362 PolarHBondContact NH2-CE1 2.89Å; T358-H362 HydrophobicContact CG2-CB 3.58Å; P359-H362 HydrophobicContact CB-CB 4.27Å; P359-H362 VanDerWaalsContact O-CB 3.25Å; P359-H362 WeakPolarHBondContact O-CB 3.46Å; P359-H362 PolarHBondContact O-N 3.38Å; P359-H362 VanDerWaalsContact O-N 3.14Å; H362-D364 VanDerWaalsContact C-N 3.32Å; H362-D364 IonicContact CE1-OD2 2.68Å; H362-D364 PolarHBondContact CE1-OD2 3.23Å; H362-D364 VanDerWaalsContact CE1-OD2 3.23Å; H362-D364 WeakPolarHBondContact ND1-CB 3.36Å; H362-D364 PolarHBondContact ND1-N 3.42Å; H362-D364 IonicContact ND1-OD2 2.79Å; H362-D364 PolarHBondContact O-N 3.39Å; H362-R365 HydrophobicContact CB-CB 4.5Å; H362-R365 WeakPolarHBondContact O-CB 3.31Å; H362-R365 PolarHBondContact O-N 2.9Å | ||
| 363 | Y | 88.8 | Confident | 94 | Very high | 174 Ų | 174 | 60 Ų | 60 | 68% | 0.682 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -39.2 | -175.7 | 69.4 | -87.7 | 0 | 0 | 0 | 113.5 | R365 | Y363-R365 VanDerWaalsContact C-N 3.26Å; Y363-R365 PolarHBondContact O-N 2.94Å |
| 364 | D | 89.1 | Confident | 94 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.2 | 175.1 | -69.5 | -32.7 | 0 | 0 | 0 | 115 | R204 H362 S366 D367 L368 | R204-D364 IonicContact CZ-OD2 2.79Å; R204-D364 IonicContact NH2-OD2 2.88Å; R204-D364 PolarHBondContact NH2-OD2 3.03Å; H362-D364 VanDerWaalsContact C-N 3.32Å; H362-D364 IonicContact CE1-OD2 2.68Å; H362-D364 PolarHBondContact CE1-OD2 3.23Å; H362-D364 VanDerWaalsContact CE1-OD2 3.23Å; H362-D364 WeakPolarHBondContact ND1-CB 3.36Å; H362-D364 PolarHBondContact ND1-N 3.42Å; H362-D364 IonicContact ND1-OD2 2.79Å; H362-D364 PolarHBondContact O-N 3.39Å; D364-S366 PolarHBondContact O-N 3.47Å; D364-D367 PolarHBondContact O-N 3.32Å; D364-L368 HydrophobicContact CB-CD1 3.84Å; D364-L368 HydrophobicContact CB-CG 4.15Å; D364-L368 WeakPolarHBondContact O-CB 3.35Å; D364-L368 VanDerWaalsContact O-CG 3.28Å; D364-L368 WeakPolarHBondContact O-CG 3.47Å; D364-L368 PolarHBondContact O-N 2.98Å |
| 365 | R | 93.3 | Very high | 94 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | -165 | -176.7 | 66.3 | 171.7 | 99.1 | 0.3 | 112.8 | C355 T358 H362 Y363 I369 | C355-R365 VanDerWaalsContact CB-NH1 3.34Å; C355-R365 PolarHBondContact O-NE 2.65Å; C355-R365 VanDerWaalsContact O-NE 3.17Å; C355-R365 PolarHBondContact O-NH2 3.34Å; T358-R365 HydrophobicContact CG2-CB 4.12Å; T358-R365 VanDerWaalsContact O-CD 3.32Å; T358-R365 WeakPolarHBondContact O-CD 3.14Å; T358-R365 PolarHBondContact O-NE 2.97Å; H362-R365 HydrophobicContact CB-CB 4.5Å; H362-R365 WeakPolarHBondContact O-CB 3.31Å; H362-R365 PolarHBondContact O-N 2.9Å; Y363-R365 VanDerWaalsContact C-N 3.26Å; Y363-R365 PolarHBondContact O-N 2.94Å; R365-I369 VanDerWaalsContact NH1-CD1 3.34Å; R365-I369 WeakPolarHBondContact O-CD1 3.42Å; R365-I369 VanDerWaalsContact O-CG1 3.31Å; R365-I369 WeakPolarHBondContact O-CG1 3.31Å; R365-I369 PolarHBondContact O-N 3.16Å |
| 366 | S | 93.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | -179.9 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | D364 L368 I369 V370 | D364-S366 PolarHBondContact O-N 3.47Å; S366-L368 VanDerWaalsContact C-N 3.33Å; S366-L368 PolarHBondContact O-N 3.07Å; S366-I369 WeakPolarHBondContact O-CB 3.36Å; S366-I369 PolarHBondContact O-N 3.11Å; S366-V370 PolarHBondContact O-N 3Å |
| 367 | D | 94.7 | Very high | 93.8 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.6 | -32 | -174.3 | -62 | -13.8 | 0 | 0 | 0 | 111.1 | S277 D364 I369 V370 A371 | S277-D367 WeakPolarHBondContact CB-O 3.5Å; S277-D367 PolarHBondContact OG-O 3.18Å; D364-D367 PolarHBondContact O-N 3.32Å; D367-I369 VanDerWaalsContact C-N 3.31Å; D367-I369 PolarHBondContact O-N 3.16Å; D367-V370 PolarHBondContact O-N 3.4Å; D367-A371 PolarHBondContact O-N 2.89Å |
| 368 | L | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -35.3 | 172.9 | -75.8 | 172.2 | 0 | 0 | 0 | 112.2 | L276 S277 L351 L354 T358 D364 S366 V370 A371 H372 | L276-L368 HydrophobicContact CD2-CD2 4.39Å; S277-L368 WeakPolarHBondContact OG-CA 3.49Å; S277-L368 WeakPolarHBondContact OG-CD2 3.27Å; S277-L368 PolarHBondContact OG-N 3.4Å; S277-L368 VanDerWaalsContact OG-N 3.12Å; L351-L368 HydrophobicContact CD2-CD2 4.34Å; L354-L368 HydrophobicContact CD2-CD1 4.31Å; L354-L368 HydrophobicContact CD2-CD2 3.82Å; L354-L368 HydrophobicContact CG-CD1 4.23Å; T358-L368 HydrophobicContact CG2-CD1 4.21Å; D364-L368 HydrophobicContact CB-CD1 3.84Å; D364-L368 HydrophobicContact CB-CG 4.15Å; D364-L368 WeakPolarHBondContact O-CB 3.35Å; D364-L368 VanDerWaalsContact O-CG 3.28Å; D364-L368 WeakPolarHBondContact O-CG 3.47Å; D364-L368 PolarHBondContact O-N 2.98Å; S366-L368 VanDerWaalsContact C-N 3.33Å; S366-L368 PolarHBondContact O-N 3.07Å; L368-V370 VanDerWaalsContact C-N 3.34Å; L368-A371 PolarHBondContact O-N 2.89Å; L368-H372 VanDerWaalsContact O-CB 3.29Å; L368-H372 WeakPolarHBondContact O-CB 3.49Å; L368-H372 PolarHBondContact O-N 2.7Å |
| 369 | I | 96.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 33% | 0.328 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.4 | -66.5 | 163.6 | 0 | 0 | 0 | 110 | R365 S366 D367 H372 E373 | R365-I369 VanDerWaalsContact NH1-CD1 3.34Å; R365-I369 WeakPolarHBondContact O-CD1 3.42Å; R365-I369 VanDerWaalsContact O-CG1 3.31Å; R365-I369 WeakPolarHBondContact O-CG1 3.31Å; R365-I369 PolarHBondContact O-N 3.16Å; S366-I369 WeakPolarHBondContact O-CB 3.36Å; S366-I369 PolarHBondContact O-N 3.11Å; D367-I369 VanDerWaalsContact C-N 3.31Å; D367-I369 PolarHBondContact O-N 3.16Å; I369-H372 WeakPolarHBondContact O-CB 3.15Å; I369-H372 PolarHBondContact O-N 2.81Å; I369-E373 PolarHBondContact O-N 2.79Å |
| 370 | V | 95.4 | Very high | 93.7 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | L281 S366 D367 L368 H372 E373 A374 | L281-V370 HydrophobicContact CD1-CG1 4.35Å; L281-V370 HydrophobicContact CD2-CG1 4.16Å; S366-V370 PolarHBondContact O-N 3Å; D367-V370 PolarHBondContact O-N 3.4Å; L368-V370 VanDerWaalsContact C-N 3.34Å; V370-H372 PolarHBondContact O-N 3.39Å; V370-E373 PolarHBondContact O-N 3.49Å; V370-A374 WeakPolarHBondContact O-CB 3.23Å; V370-A374 PolarHBondContact O-N 2.98Å |
| 371 | A | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F280 L281 L351 D367 L368 A374 M375 | F280-A371 HydrophobicContact CB-CB 4.06Å; L281-A371 HydrophobicContact CG-CB 4.45Å; L351-A371 HydrophobicContact CD1-CB 4.22Å; D367-A371 PolarHBondContact O-N 2.89Å; L368-A371 PolarHBondContact O-N 2.89Å; A371-A374 WeakPolarHBondContact O-CB 3.25Å; A371-A374 PolarHBondContact O-N 2.84Å; A371-M375 PolarHBondContact O-N 3.17Å |
| 372 | H | 97.6 | Very high | 93.6 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.4 | 168.4 | -126.2 | 0 | 0 | 0 | 111.5 | H348 L351 L368 I369 V370 A374 M375 R376 | H348-H372 PolarHBondContact O-CD2 3.08Å; L351-H372 HydrophobicContact CB-CB 3.95Å; L368-H372 VanDerWaalsContact O-CB 3.29Å; L368-H372 WeakPolarHBondContact O-CB 3.49Å; L368-H372 PolarHBondContact O-N 2.7Å; I369-H372 WeakPolarHBondContact O-CB 3.15Å; I369-H372 PolarHBondContact O-N 2.81Å; V370-H372 PolarHBondContact O-N 3.39Å; H372-A374 VanDerWaalsContact C-N 3.32Å; H372-A374 PolarHBondContact O-N 3.23Å; H372-M375 PolarHBondContact O-N 3.45Å; H372-R376 VanDerWaalsContact NE2-CD 3.3Å; H372-R376 WeakPolarHBondContact NE2-CD 3.18Å; H372-R376 WeakPolarHBondContact O-CG 3.32Å; H372-R376 PolarHBondContact O-N 2.92Å |
| 373 | E | 95.3 | Very high | 93.3 | Very high | 83 Ų | 83 | 46.7 Ų | 46.7 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.3 | -75 | -172.4 | -154.2 | 0 | 0 | 112 | I369 V370 M375 R376 E377 K550 | I369-E373 PolarHBondContact O-N 2.79Å; V370-E373 PolarHBondContact O-N 3.49Å; E373-M375 PolarHBondContact O-N 3.48Å; E373-R376 WeakPolarHBondContact O-CB 3.16Å; E373-R376 PolarHBondContact O-N 3.36Å; E373-E377 WeakPolarHBondContact O-CG 3.23Å; E373-E377 PolarHBondContact O-N 3.3Å; E373-K550 IonicContact OE2-NZ 3.15Å; E373-K550 PolarHBondContact OE2-NZ 3.14Å; E373-K550 VanDerWaalsContact OE2-NZ 3.09Å |
| 374 | A | 95 | Very high | 93.4 | Very high | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L281 R284 V370 A371 H372 E377 V378 | L281-A374 HydrophobicContact CD2-CB 3.67Å; R284-A374 HydrophobicContact CG-CB 4.35Å; V370-A374 WeakPolarHBondContact O-CB 3.23Å; V370-A374 PolarHBondContact O-N 2.98Å; A371-A374 WeakPolarHBondContact O-CB 3.25Å; A371-A374 PolarHBondContact O-N 2.84Å; H372-A374 VanDerWaalsContact C-N 3.32Å; H372-A374 PolarHBondContact O-N 3.23Å; A374-E377 WeakPolarHBondContact O-CB 3.48Å; A374-E377 PolarHBondContact O-N 2.75Å; A374-V378 WeakPolarHBondContact O-CG2 3.28Å; A374-V378 PolarHBondContact O-N 3.43Å |
| 375 | M | 97.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71 | -30.5 | 177.1 | -67.5 | -57.7 | 100.2 | 0 | 0 | 112.7 | F280 R284 L287 H348 L351 A371 H372 E373 E377 V378 A379 | F280-M375 HydrophobicContact CB-CE 4.44Å; F280-M375 HydrophobicContact CB-CG 4.47Å; F280-M375 HydrophobicContact CD1-CG 3.7Å; F280-M375 HydrophobicContact CD1-SD 3.82Å; F280-M375 HydrophobicContact CE1-CG 4.37Å; F280-M375 HydrophobicContact CG-CG 4.43Å; F280-M375 WeakPolarHBondContact O-CE 3.17Å; R284-M375 HydrophobicContact CB-CE 3.78Å; R284-M375 HydrophobicContact CG-CE 3.89Å; L287-M375 HydrophobicContact CD1-CE 4.29Å; L287-M375 HydrophobicContact CD1-SD 3.78Å; H348-M375 HydrophobicContact CB-CB 4.02Å; L351-M375 HydrophobicContact CD1-CB 4.08Å; L351-M375 HydrophobicContact CD1-CG 3.54Å; A371-M375 PolarHBondContact O-N 3.17Å; H372-M375 PolarHBondContact O-N 3.45Å; E373-M375 PolarHBondContact O-N 3.48Å; M375-E377 VanDerWaalsContact C-N 3.34Å; M375-V378 HydrophobicContact CE-CG2 4.1Å; M375-V378 PolarHBondContact O-N 3.37Å; M375-A379 PolarHBondContact O-N 2.89Å |
| 376 | R | 94.6 | Very high | 93 | Very high | 130 Ų | 130 | 40.4 Ų | 40.4 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 169.1 | -73.3 | -175.9 | 64.4 | -174.3 | 5.2 | 111.5 | H348 H372 E373 V378 A379 L380 | H348-R376 HydrophobicContact CB-CB 4.47Å; H348-R376 HydrophobicContact CB-CG 3.66Å; H372-R376 VanDerWaalsContact NE2-CD 3.3Å; H372-R376 WeakPolarHBondContact NE2-CD 3.18Å; H372-R376 WeakPolarHBondContact O-CG 3.32Å; H372-R376 PolarHBondContact O-N 2.92Å; E373-R376 WeakPolarHBondContact O-CB 3.16Å; E373-R376 PolarHBondContact O-N 3.36Å; R376-V378 VanDerWaalsContact C-N 3.34Å; R376-A379 PolarHBondContact O-N 2.73Å; R376-L380 WeakPolarHBondContact O-CB 3.18Å; R376-L380 VanDerWaalsContact O-CG 3.27Å; R376-L380 WeakPolarHBondContact O-CG 3.41Å; R376-L380 PolarHBondContact O-N 3.2Å |
| 377 | E | 93.1 | Very high | 92.7 | Very high | 25 Ų | 25 | 42 Ų | 42 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.5 | -73.7 | 178.4 | -163.7 | 0 | 0 | 111.9 | E373 A374 M375 L380 S381 K550 L551 | E373-E377 WeakPolarHBondContact O-CG 3.23Å; E373-E377 PolarHBondContact O-N 3.3Å; A374-E377 WeakPolarHBondContact O-CB 3.48Å; A374-E377 PolarHBondContact O-N 2.75Å; M375-E377 VanDerWaalsContact C-N 3.34Å; E377-L380 PolarHBondContact O-N 2.86Å; E377-S381 VanDerWaalsContact O-CB 3.32Å; E377-S381 WeakPolarHBondContact O-CB 3.37Å; E377-S381 PolarHBondContact O-N 2.86Å; E377-K550 VanDerWaalsContact OE1-CD 3.25Å; E377-K550 WeakPolarHBondContact OE1-CD 3.4Å; E377-K550 WeakPolarHBondContact OE1-CG 3.41Å; E377-K550 IonicContact OE1-NZ 2.67Å; E377-K550 PolarHBondContact OE1-NZ 3.3Å; E377-L551 PolarHBondContact OE2-N 3.45Å |
| 378 | V | 94.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 173 | 171.6 | 0 | 0 | 0 | 0 | 111 | R284 L287 L288 V344 A374 M375 R376 L380 S381 I382 | R284-V378 HydrophobicContact CG-CG2 3.6Å; L287-V378 HydrophobicContact CB-CG1 3.92Å; L288-V378 HydrophobicContact CD2-CG1 4.5Å; L288-V378 HydrophobicContact CD2-CG2 4.26Å; V344-V378 HydrophobicContact CG2-CG1 4.08Å; A374-V378 WeakPolarHBondContact O-CG2 3.28Å; A374-V378 PolarHBondContact O-N 3.43Å; M375-V378 HydrophobicContact CE-CG2 4.1Å; M375-V378 PolarHBondContact O-N 3.37Å; R376-V378 VanDerWaalsContact C-N 3.34Å; V378-L380 VanDerWaalsContact C-N 3.35Å; V378-L380 PolarHBondContact O-N 3.39Å; V378-S381 WeakPolarHBondContact O-CB 3.35Å; V378-S381 PolarHBondContact O-N 3.43Å; V378-S381 VanDerWaalsContact O-N 3.16Å; V378-I382 HydrophobicContact CG1-CD1 3.84Å; V378-I382 WeakPolarHBondContact O-CG1 3.43Å; V378-I382 PolarHBondContact O-N 3.45Å |
| 379 | A | 91.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L345 M375 R376 I382 N383 | L345-A379 HydrophobicContact CD2-CB 4Å; M375-A379 PolarHBondContact O-N 2.89Å; R376-A379 PolarHBondContact O-N 2.73Å; A379-I382 PolarHBondContact O-N 3.47Å; A379-N383 PolarHBondContact O-N 3.49Å; A379-N383 VanDerWaalsContact O-N 3.14Å |
| 380 | L | 89.9 | Confident | 91.6 | Very high | 91 Ų | 91 | 41.2 Ų | 41.2 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 173.8 | -71.6 | 171 | 0 | 0 | 0 | 111.7 | R376 E377 V378 I382 N383 D384 | R376-L380 WeakPolarHBondContact O-CB 3.18Å; R376-L380 VanDerWaalsContact O-CG 3.27Å; R376-L380 WeakPolarHBondContact O-CG 3.41Å; R376-L380 PolarHBondContact O-N 3.2Å; E377-L380 PolarHBondContact O-N 2.86Å; V378-L380 VanDerWaalsContact C-N 3.35Å; V378-L380 PolarHBondContact O-N 3.39Å; L380-I382 VanDerWaalsContact C-N 3.32Å; L380-I382 PolarHBondContact O-N 3.3Å; L380-N383 WeakPolarHBondContact O-CB 3.36Å; L380-N383 PolarHBondContact O-N 3.48Å; L380-D384 PolarHBondContact O-N 2.93Å |
| 381 | S | 91.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 177.8 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | E377 V378 D384 V385 | E377-S381 VanDerWaalsContact O-CB 3.32Å; E377-S381 WeakPolarHBondContact O-CB 3.37Å; E377-S381 PolarHBondContact O-N 2.86Å; V378-S381 WeakPolarHBondContact O-CB 3.35Å; V378-S381 PolarHBondContact O-N 3.43Å; V378-S381 VanDerWaalsContact O-N 3.16Å; S381-D384 PolarHBondContact O-N 3.44Å; S381-V385 WeakPolarHBondContact O-CB 3.46Å; S381-V385 VanDerWaalsContact O-CG2 3.23Å; S381-V385 WeakPolarHBondContact O-CG2 3.3Å; S381-V385 PolarHBondContact O-N 3.3Å |
| 382 | I | 88.4 | Confident | 91 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 178.6 | -65.9 | 159.4 | 0 | 0 | 0 | 110.4 | Y290 C294 V344 V378 A379 L380 V385 K386 | Y290-I382 HydrophobicContact CG-CD1 4.34Å; C294-I382 HydrophobicContact CB-CG2 4.35Å; V344-I382 HydrophobicContact CB-CD1 4.26Å; V344-I382 HydrophobicContact CG1-CD1 3.75Å; V344-I382 HydrophobicContact CG2-CD1 3.49Å; V344-I382 VanDerWaalsContact CG2-CD1 3.49Å; V378-I382 HydrophobicContact CG1-CD1 3.84Å; V378-I382 WeakPolarHBondContact O-CG1 3.43Å; V378-I382 PolarHBondContact O-N 3.45Å; A379-I382 PolarHBondContact O-N 3.47Å; L380-I382 VanDerWaalsContact C-N 3.32Å; L380-I382 PolarHBondContact O-N 3.3Å; I382-V385 PolarHBondContact O-N 2.91Å; I382-K386 PolarHBondContact O-N 2.93Å |
| 383 | N | 86.6 | Confident | 90.6 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 45% | 0.449 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.3 | -172.6 | 34.7 | 0 | 0 | 0 | 112 | A379 L380 K386 R387 | A379-N383 PolarHBondContact O-N 3.49Å; A379-N383 VanDerWaalsContact O-N 3.14Å; L380-N383 WeakPolarHBondContact O-CB 3.36Å; L380-N383 PolarHBondContact O-N 3.48Å; N383-K386 PolarHBondContact O-N 3.35Å; N383-R387 PolarHBondContact ND2-NH2 3.1Å; N383-R387 WeakPolarHBondContact O-CB 3.35Å; N383-R387 PolarHBondContact O-N 3.1Å |
| 384 | D | 90.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 39 Ų | 39 | 17% | 0.171 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.1 | -70.3 | -22.9 | 0 | 0 | 0 | 111.4 | L380 S381 K386 R387 D388 T553 | L380-D384 PolarHBondContact O-N 2.93Å; S381-D384 PolarHBondContact O-N 3.44Å; D384-K386 PolarHBondContact O-N 3.45Å; D384-R387 PolarHBondContact O-N 3.17Å; D384-R387 IonicContact OD1-CZ 3.65Å; D384-R387 IonicContact OD1-NH1 3.68Å; D384-R387 PolarHBondContact OD1-NH1 2.93Å; D384-D388 WeakPolarHBondContact O-CB 3.46Å; D384-D388 PolarHBondContact O-N 2.79Å; D384-T553 VanDerWaalsContact OD2-CB 3.27Å; D384-T553 WeakPolarHBondContact OD2-CB 3.29Å; D384-T553 PolarHBondContact OD2-OG1 3.31Å |
| 385 | V | 88.5 | Confident | 90.3 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 11% | 0.109 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 174.4 | 166 | 0 | 0 | 0 | 0 | 111.3 | G291 S381 I382 D388 L389 M555 | G291-V385 WeakPolarHBondContact O-CG1 3.4Å; S381-V385 WeakPolarHBondContact O-CB 3.46Å; S381-V385 VanDerWaalsContact O-CG2 3.23Å; S381-V385 WeakPolarHBondContact O-CG2 3.3Å; S381-V385 PolarHBondContact O-N 3.3Å; I382-V385 PolarHBondContact O-N 2.91Å; V385-D388 PolarHBondContact O-N 3.35Å; V385-L389 HydrophobicContact CG1-CD1 4.4Å; V385-L389 WeakPolarHBondContact O-CG 3.48Å; V385-L389 PolarHBondContact O-N 3.45Å; V385-M555 HydrophobicContact CB-CG 4.15Å; V385-M555 HydrophobicContact CG1-CG 3.78Å; V385-M555 HydrophobicContact CG1-SD 3.83Å; V385-M555 HydrophobicContact CG2-CG 3.99Å |
| 386 | K | 85.2 | Confident | 90 | Very high | 69 Ų | 69 | 41 Ų | 41 | 30% | 0.3 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 177.6 | 178.6 | 54 | -177.6 | 152.3 | 0 | 111.7 | I382 N383 D384 D388 L389 D390 | I382-K386 PolarHBondContact O-N 2.93Å; N383-K386 PolarHBondContact O-N 3.35Å; D384-K386 PolarHBondContact O-N 3.45Å; K386-D388 VanDerWaalsContact C-N 3.3Å; K386-D388 PolarHBondContact O-N 3.05Å; K386-L389 PolarHBondContact O-N 3.38Å; K386-D390 WeakPolarHBondContact CE-OD2 3.38Å; K386-D390 IonicContact NZ-OD1 3.14Å; K386-D390 PolarHBondContact NZ-OD1 3.15Å; K386-D390 IonicContact NZ-OD2 2.8Å; K386-D390 PolarHBondContact NZ-OD2 3.01Å; K386-D390 PolarHBondContact O-N 3.34Å; K386-D390 VanDerWaalsContact O-N 3.17Å |
| 387 | R | 87.5 | Confident | 89.8 | Confident | 102 Ų | 102 | 35.8 Ų | 35.8 | 39% | 0.385 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.9 | -41.4 | 175.4 | -171.9 | -173.6 | -62.3 | 125.5 | 8 | 111.9 | M69 N383 D384 D390 T391 | M69-R387 HydrophobicContact CE-CG 4.38Å; M69-R387 HydrophobicContact SD-CG 4.04Å; N383-R387 PolarHBondContact ND2-NH2 3.1Å; N383-R387 WeakPolarHBondContact O-CB 3.35Å; N383-R387 PolarHBondContact O-N 3.1Å; D384-R387 PolarHBondContact O-N 3.17Å; D384-R387 IonicContact OD1-CZ 3.65Å; D384-R387 IonicContact OD1-NH1 3.68Å; D384-R387 PolarHBondContact OD1-NH1 2.93Å; R387-D390 PolarHBondContact O-N 3.5Å; R387-T391 WeakPolarHBondContact O-CB 3.42Å; R387-T391 PolarHBondContact O-N 3.01Å; R387-T391 PolarHBondContact O-OG1 3.08Å |
| 388 | D | 91.5 | Very high | 89.8 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.5 | -37.2 | 179.7 | -76.2 | -0.1 | 0 | 0 | 0 | 112 | D384 V385 K386 T391 I392 G554 M555 F556 | D384-D388 WeakPolarHBondContact O-CB 3.46Å; D384-D388 PolarHBondContact O-N 2.79Å; V385-D388 PolarHBondContact O-N 3.35Å; K386-D388 VanDerWaalsContact C-N 3.3Å; K386-D388 PolarHBondContact O-N 3.05Å; D388-T391 WeakPolarHBondContact O-CB 3.5Å; D388-T391 PolarHBondContact O-N 3.29Å; D388-I392 WeakPolarHBondContact O-CB 3.29Å; D388-I392 VanDerWaalsContact O-CG1 3.24Å; D388-I392 WeakPolarHBondContact O-CG1 3.46Å; D388-I392 PolarHBondContact O-N 3.44Å; D388-G554 WeakPolarHBondContact OD2-CA 3.41Å; D388-M555 HydrophobicContact CB-CB 3.91Å; D388-M555 HydrophobicContact CB-CG 4.11Å; D388-M555 PolarHBondContact OD2-N 3.35Å; D388-F556 HydrophobicContact CB-CD1 4.1Å; D388-F556 HydrophobicContact CB-CE1 4.06Å |
| 389 | L | 87.1 | Confident | 89.7 | Confident | 47 Ų | 47 | 37.2 Ų | 37.2 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 173.3 | -74.3 | 171.7 | 0 | 0 | 0 | 112.2 | V385 K386 T391 I392 S393 M555 | V385-L389 HydrophobicContact CG1-CD1 4.4Å; V385-L389 WeakPolarHBondContact O-CG 3.48Å; V385-L389 PolarHBondContact O-N 3.45Å; K386-L389 PolarHBondContact O-N 3.38Å; L389-T391 VanDerWaalsContact C-N 3.26Å; L389-T391 PolarHBondContact O-N 3.33Å; L389-I392 PolarHBondContact O-N 3.28Å; L389-S393 WeakPolarHBondContact O-CB 3.11Å; L389-S393 PolarHBondContact O-N 3.13Å; L389-M555 HydrophobicContact CD1-SD 4.16Å; L389-M555 HydrophobicContact CD2-CE 3.86Å; L389-M555 HydrophobicContact CD2-SD 3.29Å; L389-M555 WeakPolarHBondContact CD2-SD 3.24Å; L389-M555 HydrophobicContact CG-SD 3.36Å; L389-M555 WeakPolarHBondContact CG-SD 3.45Å |
| 390 | D | 86.2 | Confident | 89.7 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -34.8 | 178.6 | -63.9 | -18.5 | 0 | 0 | 0 | 110.9 | K386 R387 S394 | K386-D390 WeakPolarHBondContact CE-OD2 3.38Å; K386-D390 IonicContact NZ-OD1 3.14Å; K386-D390 PolarHBondContact NZ-OD1 3.15Å; K386-D390 IonicContact NZ-OD2 2.8Å; K386-D390 PolarHBondContact NZ-OD2 3.01Å; K386-D390 PolarHBondContact O-N 3.34Å; K386-D390 VanDerWaalsContact O-N 3.17Å; R387-D390 PolarHBondContact O-N 3.5Å; D390-S394 WeakPolarHBondContact O-CB 3.49Å; D390-S394 PolarHBondContact O-N 3.48Å; D390-S394 PolarHBondContact O-OG 3.03Å |
| 391 | T | 90.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 173.3 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | R387 D388 L389 S393 S394 I395 F556 | R387-T391 WeakPolarHBondContact O-CB 3.42Å; R387-T391 PolarHBondContact O-N 3.01Å; R387-T391 PolarHBondContact O-OG1 3.08Å; D388-T391 WeakPolarHBondContact O-CB 3.5Å; D388-T391 PolarHBondContact O-N 3.29Å; L389-T391 VanDerWaalsContact C-N 3.26Å; L389-T391 PolarHBondContact O-N 3.33Å; T391-S393 VanDerWaalsContact C-N 3.33Å; T391-S393 PolarHBondContact O-N 3.28Å; T391-S394 WeakPolarHBondContact O-CB 3.35Å; T391-S394 PolarHBondContact O-N 2.85Å; T391-I395 HydrophobicContact CG2-CD1 4.11Å; T391-I395 VanDerWaalsContact O-CG1 3.3Å; T391-I395 WeakPolarHBondContact O-CG1 3.45Å; T391-I395 PolarHBondContact O-N 2.97Å; T391-F556 HydrophobicContact CG2-CE1 4.49Å; T391-F556 HydrophobicContact CG2-CZ 4.14Å |
| 392 | I | 90.9 | Very high | 89.8 | Confident | 34 Ų | 34 | 36.6 Ų | 36.6 | 17% | 0.174 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 177.6 | -70 | 163.3 | 0 | 0 | 0 | 110.3 | D388 L389 S394 I395 D396 F556 | D388-I392 WeakPolarHBondContact O-CB 3.29Å; D388-I392 VanDerWaalsContact O-CG1 3.24Å; D388-I392 WeakPolarHBondContact O-CG1 3.46Å; D388-I392 PolarHBondContact O-N 3.44Å; L389-I392 PolarHBondContact O-N 3.28Å; I392-S394 VanDerWaalsContact C-N 3.31Å; I392-S394 PolarHBondContact O-N 3.05Å; I392-I395 PolarHBondContact O-N 3.42Å; I392-I395 VanDerWaalsContact O-N 3.12Å; I392-D396 PolarHBondContact O-N 3.2Å; I392-F556 HydrophobicContact CD1-CD1 3.75Å; I392-F556 HydrophobicContact CD1-CE1 4.06Å; I392-F556 HydrophobicContact CD1-CG 4.32Å; I392-F556 HydrophobicContact CG1-CD1 3.92Å; I392-F556 HydrophobicContact CG1-CE1 3.72Å; I392-F556 HydrophobicContact CG1-CG 4.49Å; I392-F556 HydrophobicContact CG1-CZ 4.14Å |
| 393 | S | 88.8 | Confident | 89.8 | Confident | 57 Ų | 57 | 39 Ų | 39 | 40% | 0.399 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.9 | -44.4 | 175.9 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | L389 T391 I395 D396 Q397 | L389-S393 WeakPolarHBondContact O-CB 3.11Å; L389-S393 PolarHBondContact O-N 3.13Å; T391-S393 VanDerWaalsContact C-N 3.33Å; T391-S393 PolarHBondContact O-N 3.28Å; S393-I395 VanDerWaalsContact C-N 3.33Å; S393-I395 PolarHBondContact O-N 2.83Å; S393-D396 PolarHBondContact O-N 3.48Å; S393-Q397 WeakPolarHBondContact O-CG 3.11Å; S393-Q397 PolarHBondContact O-N 3.17Å |
| 394 | S | 90.8 | Very high | 89.8 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 175.9 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | S67 D390 T391 I392 Q397 I398 | S67-S394 PolarHBondContact OG-OG 3.24Å; D390-S394 WeakPolarHBondContact O-CB 3.49Å; D390-S394 PolarHBondContact O-N 3.48Å; D390-S394 PolarHBondContact O-OG 3.03Å; T391-S394 WeakPolarHBondContact O-CB 3.35Å; T391-S394 PolarHBondContact O-N 2.85Å; I392-S394 VanDerWaalsContact C-N 3.31Å; I392-S394 PolarHBondContact O-N 3.05Å; S394-Q397 WeakPolarHBondContact O-CB 3.45Å; S394-Q397 PolarHBondContact O-N 3.35Å; S394-I398 WeakPolarHBondContact O-CG1 3.43Å; S394-I398 PolarHBondContact O-N 3.04Å |
| 395 | I | 92.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.3 | -38.5 | 175.1 | -64.2 | 171.6 | 0 | 0 | 0 | 111.3 | T391 I392 S393 Q397 I398 Q399 L413 F443 F556 | T391-I395 HydrophobicContact CG2-CD1 4.11Å; T391-I395 VanDerWaalsContact O-CG1 3.3Å; T391-I395 WeakPolarHBondContact O-CG1 3.45Å; T391-I395 PolarHBondContact O-N 2.97Å; I392-I395 PolarHBondContact O-N 3.42Å; I392-I395 VanDerWaalsContact O-N 3.12Å; S393-I395 VanDerWaalsContact C-N 3.33Å; S393-I395 PolarHBondContact O-N 2.83Å; I395-Q397 VanDerWaalsContact C-N 3.32Å; I395-Q397 PolarHBondContact O-N 3.3Å; I395-I398 WeakPolarHBondContact O-CB 3.15Å; I395-I398 PolarHBondContact O-N 2.9Å; I395-Q399 WeakPolarHBondContact O-CB 3.34Å; I395-Q399 PolarHBondContact O-N 3.28Å; I395-L413 HydrophobicContact CG2-CB 3.76Å; I395-L413 HydrophobicContact CG2-CD2 4.04Å; I395-L413 HydrophobicContact CG2-CG 3.74Å; I395-F443 HydrophobicContact CD1-CE1 4.17Å; I395-F443 HydrophobicContact CG1-CE1 4.02Å; I395-F443 HydrophobicContact CG2-CE1 3.99Å; I395-F443 HydrophobicContact CG2-CZ 4.44Å; I395-F556 HydrophobicContact CD1-CZ 4.39Å |
| 396 | D | 90.6 | Very high | 88.9 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.6 | -34.5 | 176.3 | -74.2 | -18.5 | 0 | 0 | 0 | 111.7 | I392 S393 Q399 S400 | I392-D396 PolarHBondContact O-N 3.2Å; S393-D396 PolarHBondContact O-N 3.48Å; D396-Q399 PolarHBondContact O-N 2.89Å; D396-S400 WeakPolarHBondContact O-CB 3.45Å; D396-S400 PolarHBondContact O-N 3.31Å; D396-S400 PolarHBondContact O-OG 2.96Å |
| 397 | Q | 90.9 | Very high | 88.4 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -46 | 170.5 | -69.3 | 178.4 | 29.3 | 0 | 0 | 111.4 | K64 F66 L76 S393 S394 I395 Q399 S400 S401 | K64-Q397 PolarHBondContact O-NE2 3.13Å; F66-Q397 PolarHBondContact O-NE2 3.24Å; L76-Q397 HydrophobicContact CD2-CB 4.22Å; S393-Q397 WeakPolarHBondContact O-CG 3.11Å; S393-Q397 PolarHBondContact O-N 3.17Å; S394-Q397 WeakPolarHBondContact O-CB 3.45Å; S394-Q397 PolarHBondContact O-N 3.35Å; I395-Q397 VanDerWaalsContact C-N 3.32Å; I395-Q397 PolarHBondContact O-N 3.3Å; Q397-Q399 PolarHBondContact O-N 3.46Å; Q397-S400 WeakPolarHBondContact O-CB 3.42Å; Q397-S400 PolarHBondContact O-N 3.38Å; Q397-S401 PolarHBondContact O-N 2.99Å; Q397-S401 VanDerWaalsContact O-N 3.15Å |
| 398 | I | 92 | Very high | 87.9 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58 | -50.3 | 174.2 | -69.5 | 164 | 0 | 0 | 0 | 110 | F75 L76 S394 I395 S400 S401 L402 L413 L419 F441 | F75-I398 HydrophobicContact CD1-CG1 3.69Å; F75-I398 HydrophobicContact CE1-CG1 3.97Å; L76-I398 HydrophobicContact CD1-CD1 4.3Å; L76-I398 HydrophobicContact CD2-CG1 4.32Å; L76-I398 HydrophobicContact CG-CG1 4.45Å; S394-I398 WeakPolarHBondContact O-CG1 3.43Å; S394-I398 PolarHBondContact O-N 3.04Å; I395-I398 WeakPolarHBondContact O-CB 3.15Å; I395-I398 PolarHBondContact O-N 2.9Å; I398-S400 PolarHBondContact O-N 3.41Å; I398-S401 WeakPolarHBondContact O-CA 3.34Å; I398-S401 WeakPolarHBondContact O-CB 3.44Å; I398-S401 PolarHBondContact O-N 2.7Å; I398-S401 PolarHBondContact O-OG 3Å; I398-L402 WeakPolarHBondContact O-CG 3.21Å; I398-L402 PolarHBondContact O-N 2.92Å; I398-L413 HydrophobicContact CB-CD2 4.48Å; I398-L413 HydrophobicContact CG2-CD2 3.91Å; I398-L419 HydrophobicContact CD1-CD2 3.67Å; I398-F441 HydrophobicContact CB-CE1 4.5Å; I398-F441 HydrophobicContact CD1-CD1 4.39Å; I398-F441 HydrophobicContact CD1-CE1 4.37Å; I398-F441 HydrophobicContact CG1-CE1 4.16Å; I398-F441 HydrophobicContact CG2-CD1 3.68Å; I398-F441 HydrophobicContact CG2-CE1 3.57Å; I398-F441 HydrophobicContact CG2-CG 4.24Å; I398-F441 HydrophobicContact CG2-CZ 4.02Å |
| 399 | Q | 92.8 | Very high | 87 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.1 | -39.6 | 178.9 | -174.4 | 178.3 | -50.3 | 0 | 0 | 111.7 | I395 D396 Q397 S401 L402 I405 L413 | I395-Q399 WeakPolarHBondContact O-CB 3.34Å; I395-Q399 PolarHBondContact O-N 3.28Å; D396-Q399 PolarHBondContact O-N 2.89Å; Q397-Q399 PolarHBondContact O-N 3.46Å; Q399-S401 PolarHBondContact O-N 3.49Å; Q399-L402 PolarHBondContact O-N 2.71Å; Q399-I405 HydrophobicContact CG-CD1 4.26Å; Q399-L413 HydrophobicContact CB-CB 4.1Å; Q399-L413 HydrophobicContact CB-CD2 4.05Å; Q399-L413 HydrophobicContact CG-CB 4.26Å |
| 400 | S | 90.9 | Very high | 86.3 | Confident | 84 Ų | 84 | 52.2 Ų | 52.2 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.6 | -24.7 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 113.3 | D396 Q397 I398 | D396-S400 WeakPolarHBondContact O-CB 3.45Å; D396-S400 PolarHBondContact O-N 3.31Å; D396-S400 PolarHBondContact O-OG 2.96Å; Q397-S400 WeakPolarHBondContact O-CB 3.42Å; Q397-S400 PolarHBondContact O-N 3.38Å; I398-S400 PolarHBondContact O-N 3.41Å |
| 401 | S | 91.3 | Very high | 86 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -81.6 | -13 | 176.1 | 82.3 | 0 | 0 | 0 | 0 | 114 | F75 Q397 I398 Q399 L403 S456 F457 | F75-S401 VanDerWaalsContact CZ-CB 3.44Å; Q397-S401 PolarHBondContact O-N 2.99Å; Q397-S401 VanDerWaalsContact O-N 3.15Å; I398-S401 WeakPolarHBondContact O-CA 3.34Å; I398-S401 WeakPolarHBondContact O-CB 3.44Å; I398-S401 PolarHBondContact O-N 2.7Å; I398-S401 PolarHBondContact O-OG 3Å; Q399-S401 PolarHBondContact O-N 3.49Å; S401-L403 PolarHBondContact O-N 2.94Å; S401-S456 WeakPolarHBondContact O-CB 3.41Å; S401-F457 PolarHBondContact O-N 3.45Å |
| 402 | L | 92.1 | Very high | 85.8 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 103.3 | -177.7 | -61.1 | -176.6 | 0 | 0 | 0 | 111 | I398 Q399 I405 L413 F441 I448 C450 F457 | I398-L402 WeakPolarHBondContact O-CG 3.21Å; I398-L402 PolarHBondContact O-N 2.92Å; Q399-L402 PolarHBondContact O-N 2.71Å; L402-I405 HydrophobicContact CB-CB 4.36Å; L402-I405 HydrophobicContact CB-CD1 4.11Å; L402-I405 HydrophobicContact CD1-CD1 3.82Å; L402-L413 HydrophobicContact CD1-CD2 4.27Å; L402-F441 HydrophobicContact CD2-CD2 4.25Å; L402-F441 HydrophobicContact CD2-CE2 3.8Å; L402-I448 HydrophobicContact CD1-CD1 4.23Å; L402-C450 VanDerWaalsContact CD2-SG 3.59Å; L402-F457 CarbonylContact C-O 3.51Å; L402-F457 WeakPolarHBondContact CA-O 3.41Å; L402-F457 HydrophobicContact CD2-CB 3.95Å; L402-F457 HydrophobicContact CD2-CD2 4.33Å |
| 403 | L | 89.9 | Confident | 85.8 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 144 | 174.5 | -53.6 | 176.6 | 0 | 0 | 0 | 110.9 | S401 I405 K453 F457 F459 | S401-L403 PolarHBondContact O-N 2.94Å; L403-I405 PolarHBondContact O-N 2.84Å; L403-K453 HydrophobicContact CD1-CD 3.98Å; L403-F457 PolarHBondContact N-O 2.9Å; L403-F459 WeakPolarHBondContact O-CB 3.41Å; L403-F459 PolarHBondContact O-N 3.47Å |
| 404 | E | 85.5 | Confident | 86 | Confident | 148 Ų | 148 | 52.7 Ų | 52.7 | 69% | 0.692 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 34.4 | 175.8 | -59.4 | 167.6 | -153.8 | 0 | 0 | 112.4 | M406 | E404-M406 PolarHBondContact O-N 3.38Š|
| 405 | I | 81.5 | Confident | 85.9 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | trans | -61 | 123.3 | -178.2 | -165.5 | 170.1 | 0 | 0 | 0 | 111 | Q399 L402 L403 L407 F459 | Q399-I405 HydrophobicContact CG-CD1 4.26Å; L402-I405 HydrophobicContact CB-CB 4.36Å; L402-I405 HydrophobicContact CB-CD1 4.11Å; L402-I405 HydrophobicContact CD1-CD1 3.82Å; L403-I405 PolarHBondContact O-N 2.84Å; I405-L407 HydrophobicContact CD1-CD1 3.48Å; I405-L407 VanDerWaalsContact CD1-CD1 3.48Å; I405-L407 HydrophobicContact CD1-CG 3.93Å; I405-L407 HydrophobicContact CG1-CB 4.29Å; I405-L407 HydrophobicContact CG1-CD1 3.97Å; I405-L407 HydrophobicContact CG1-CG 3.82Å; I405-F459 HydrophobicContact CG1-CD2 4.08Å; I405-F459 HydrophobicContact CG1-CE2 4.48Å | ||
| 406 | M | 78.4 | Confident | 85.9 | Confident | 154 Ų | 154 | 53.7 Ų | 53.7 | 76% | 0.759 | 29% | 0.285 | S | S | * | . | trans | -105.6 | 53.5 | 177.7 | -61 | -174.2 | 63.5 | 0 | 0 | 110.9 | E404 F459 | E404-M406 PolarHBondContact O-N 3.38Å; M406-F459 HydrophobicContact CB-CD1 4.15Å; M406-F459 HydrophobicContact CB-CE1 3.74Å; M406-F459 HydrophobicContact CB-CZ 4.43Å; M406-F459 HydrophobicContact CG-CD1 4.31Å; M406-F459 HydrophobicContact CG-CE1 4.3Å | ||
| 407 | L | 76 | Confident | 86 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -92 | 157.3 | 166.7 | -68 | 176.6 | 0 | 0 | 0 | 109.5 | I405 L413 Y416 I446 | I405-L407 HydrophobicContact CD1-CD1 3.48Å; I405-L407 VanDerWaalsContact CD1-CD1 3.48Å; I405-L407 HydrophobicContact CD1-CG 3.93Å; I405-L407 HydrophobicContact CG1-CB 4.29Å; I405-L407 HydrophobicContact CG1-CD1 3.97Å; I405-L407 HydrophobicContact CG1-CG 3.82Å; L407-L413 HydrophobicContact CD1-CD1 4.11Å; L407-Y416 HydrophobicContact CD1-CE2 4.02Å; L407-Y416 HydrophobicContact CD2-CE2 4.01Å; L407-I446 HydrophobicContact CD2-CD1 4.18Å |
| 408 | P | 76.8 | Confident | 86.2 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 34% | 0.338 | 28% | 0.279 | S | S | . | . | trans | -50.9 | 130.2 | 171.4 | -26.3 | 35.3 | 0 | 0 | 0 | 110.8 | D410 K411 Y416 | P408-D410 WeakPolarHBondContact CB-OD1 3.39Å; P408-D410 PolarHBondContact O-N 3.09Å; P408-D410 VanDerWaalsContact O-N 3.11Å; P408-K411 HydrophobicContact CB-CB 4.31Å; P408-K411 HydrophobicContact CB-CD 4.18Å; P408-K411 HydrophobicContact CB-CG 4.19Å; P408-K411 HydrophobicContact CG-CD 4.25Å; P408-K411 PolarHBondContact O-N 2.7Å; P408-Y416 WeakPolarHBondContact CD-OH 3.18Å | ||
| 409 | P | 71.4 | Confident | 86.3 | Confident | 140 Ų | 140 | 54 Ų | 54 | 91% | 0.909 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.1 | -169.5 | 26.2 | -35.1 | 0 | 0 | 0 | 113.7 | ||
| 410 | D | 72.8 | Confident | 86.4 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6 | 176.7 | 61.1 | -41.8 | 0 | 0 | 0 | 113.5 | P408 | P408-D410 WeakPolarHBondContact CB-OD1 3.39Å; P408-D410 PolarHBondContact O-N 3.09Å; P408-D410 VanDerWaalsContact O-N 3.11Å |
| 411 | K | 79.5 | Confident | 86.6 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | trans | -116.4 | 118.9 | -173.5 | -65.8 | -172.6 | -175.2 | 175.3 | 0 | 112.4 | P408 T642 | P408-K411 HydrophobicContact CB-CB 4.31Å; P408-K411 HydrophobicContact CB-CD 4.18Å; P408-K411 HydrophobicContact CB-CG 4.19Å; P408-K411 HydrophobicContact CG-CD 4.25Å; P408-K411 PolarHBondContact O-N 2.7Å; K411-T642 PolarHBondContact NZ-OG1 3.23Å | ||
| 412 | R | 87.2 | Confident | 86.8 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | trans | -71.6 | 153.9 | 165.9 | -63.4 | -169.2 | -179.2 | -175 | 2.8 | 111.1 | S414 S415 | R412-S414 PolarHBondContact O-N 2.56Å; R412-S415 WeakPolarHBondContact O-CB 3.43Å; R412-S415 PolarHBondContact O-N 2.9Å; R412-S415 PolarHBondContact O-OG 3.11Å | ||
| 413 | L | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -60.4 | -34.5 | 179.3 | -176.2 | 55.8 | 0 | 0 | 0 | 112 | I395 I398 Q399 L402 L407 S415 Y416 F443 I448 | I395-L413 HydrophobicContact CG2-CB 3.76Å; I395-L413 HydrophobicContact CG2-CD2 4.04Å; I395-L413 HydrophobicContact CG2-CG 3.74Å; I398-L413 HydrophobicContact CB-CD2 4.48Å; I398-L413 HydrophobicContact CG2-CD2 3.91Å; Q399-L413 HydrophobicContact CB-CB 4.1Å; Q399-L413 HydrophobicContact CB-CD2 4.05Å; Q399-L413 HydrophobicContact CG-CB 4.26Å; L402-L413 HydrophobicContact CD1-CD2 4.27Å; L407-L413 HydrophobicContact CD1-CD1 4.11Å; L413-S415 PolarHBondContact O-N 2.88Å; L413-S415 VanDerWaalsContact O-N 3.12Å; L413-Y416 HydrophobicContact CD1-CD2 4.25Å; L413-Y416 WeakPolarHBondContact O-CB 3.24Å; L413-Y416 WeakPolarHBondContact O-CD2 3.49Å; L413-Y416 PolarHBondContact O-N 2.89Å; L413-F443 HydrophobicContact CD1-CD2 4.2Å; L413-F443 HydrophobicContact CD1-CE1 4.4Å; L413-F443 HydrophobicContact CD1-CE2 3.77Å; L413-F443 HydrophobicContact CD1-CZ 3.9Å; L413-F443 HydrophobicContact CD2-CE1 4.28Å; L413-F443 HydrophobicContact CD2-CE2 3.94Å; L413-F443 HydrophobicContact CD2-CZ 3.49Å; L413-F443 VanDerWaalsContact CD2-CZ 3.49Å; L413-F443 HydrophobicContact CG-CE1 3.95Å; L413-F443 HydrophobicContact CG-CE2 3.98Å; L413-F443 HydrophobicContact CG-CZ 3.57Å; L413-I448 HydrophobicContact CD1-CD1 3.43Å; L413-I448 VanDerWaalsContact CD1-CD1 3.43Å |
| 414 | S | 91.1 | Very high | 87 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -59.8 | -20.9 | 174.3 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | R412 Y416 G417 | R412-S414 PolarHBondContact O-N 2.56Å; S414-Y416 PolarHBondContact O-N 3.38Å; S414-G417 PolarHBondContact O-N 2.79Å; S414-G417 VanDerWaalsContact O-N 3.13Å |
| 415 | S | 90.5 | Very high | 87.4 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -66.7 | -17.1 | 174.2 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | R412 L413 G417 F557 L639 | R412-S415 WeakPolarHBondContact O-CB 3.43Å; R412-S415 PolarHBondContact O-N 2.9Å; R412-S415 PolarHBondContact O-OG 3.11Å; L413-S415 PolarHBondContact O-N 2.88Å; L413-S415 VanDerWaalsContact O-N 3.12Å; S415-G417 VanDerWaalsContact C-N 3.31Å; S415-F557 WeakPolarHBondContact O-CE2 3.32Å; S415-F557 VanDerWaalsContact O-CZ 3.22Å; S415-F557 WeakPolarHBondContact O-CZ 3.19Å; S415-L639 VanDerWaalsContact CB-CD2 3.4Å |
| 416 | Y | 92.3 | Very high | 88 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -88.9 | 2.7 | 176.3 | -61.2 | -79.8 | 0 | 0 | 0 | 113.3 | L407 P408 L413 S414 K445 I446 | L407-Y416 HydrophobicContact CD1-CE2 4.02Å; L407-Y416 HydrophobicContact CD2-CE2 4.01Å; P408-Y416 WeakPolarHBondContact CD-OH 3.18Å; L413-Y416 HydrophobicContact CD1-CD2 4.25Å; L413-Y416 WeakPolarHBondContact O-CB 3.24Å; L413-Y416 WeakPolarHBondContact O-CD2 3.49Å; L413-Y416 PolarHBondContact O-N 2.89Å; S414-Y416 PolarHBondContact O-N 3.38Å; Y416-K445 HydrophobicContact CD1-CB 4.34Å; Y416-K445 VanDerWaalsContact O-CB 3.28Å; Y416-K445 WeakPolarHBondContact O-CB 3.27Å; Y416-K445 WeakPolarHBondContact O-CG 3.32Å; Y416-K445 PolarHBondContact O-N 2.93Å; Y416-I446 HydrophobicContact CD1-CB 3.98Å; Y416-I446 HydrophobicContact CD1-CD1 3.97Å; Y416-I446 HydrophobicContact CD1-CG2 4.06Å; Y416-I446 HydrophobicContact CD2-CG2 4.36Å; Y416-I446 HydrophobicContact CE1-CD1 3.89Å; Y416-I446 HydrophobicContact CG-CB 4.19Å; Y416-I446 HydrophobicContact CG-CD1 4.43Å; Y416-I446 HydrophobicContact CG-CG2 3.74Å |
| 417 | G | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | 102 | -162.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | S414 S415 F443 D444 | S414-G417 PolarHBondContact O-N 2.79Å; S414-G417 VanDerWaalsContact O-N 3.13Å; S415-G417 VanDerWaalsContact C-N 3.31Å; G417-F443 WeakPolarHBondContact O-CD1 3.4Å; G417-D444 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 418 | H | 93.4 | Very high | 89.4 | Confident | 48 Ų | 48 | 37.9 Ų | 37.9 | 22% | 0.222 | 20% | 0.197 | C | C | . | . | trans | -79.5 | 144.3 | -179.3 | -59.3 | 82.7 | 0 | 0 | 0 | 110.5 | H420 F443 D444 F556 | H418-H420 PolarHBondContact O-CD2 2.87Å; H418-H420 PolarHBondContact O-N 2.88Å; H418-F443 CarbonylContact O-C 3.51Å; H418-F443 WeakPolarHBondContact O-CA 3.16Å; H418-D444 IonicContact CG-OD2 2.74Å; H418-D444 PolarHBondContact N-OD2 2.88Å; H418-D444 IonicContact ND1-OD2 3.7Å; H418-D444 PolarHBondContact ND1-OD2 2.83Å; H418-D444 PolarHBondContact O-N 2.63Å; H418-F556 AromaticContact CD2-CZ 3.51Å; H418-F556 AromaticContact CE1-CZ 3.88Å; H418-F556 AromaticContact NE2-CE1 3.55Å; H418-F556 AromaticContact NE2-CE2 3.96Å; H418-F556 AromaticContact NE2-CZ 3.33Å; H418-F556 VanDerWaalsContact NE2-CZ 3.33Å; H418-F556 WeakPolarHBondContact NE2-CZ 3.44Å | ||
| 419 | L | 95.1 | Very high | 89.8 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 125.7 | 167.8 | -178.8 | 78 | 0 | 0 | 0 | 109.1 | I398 F441 F443 | I398-L419 HydrophobicContact CD1-CD2 3.67Å; L419-F441 HydrophobicContact CD1-CB 4.25Å; L419-F441 HydrophobicContact CD1-CD1 4.23Å; L419-F443 HydrophobicContact CB-CD1 4.13Å; L419-F443 HydrophobicContact CB-CE1 3.87Å; L419-F443 HydrophobicContact CB-CZ 4.38Å; L419-F443 HydrophobicContact CD1-CD1 4.47Å; L419-F443 HydrophobicContact CD1-CD2 4.32Å; L419-F443 HydrophobicContact CD1-CE1 4.1Å; L419-F443 HydrophobicContact CD1-CE2 3.93Å; L419-F443 HydrophobicContact CD1-CZ 3.79Å |
| 420 | H | 94.2 | Very high | 90.1 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -39.7 | 173.3 | -75.8 | -94.7 | 0 | 0 | 0 | 112.2 | H418 L442 D444 A514 A517 A518 | H418-H420 PolarHBondContact O-CD2 2.87Å; H418-H420 PolarHBondContact O-N 2.88Å; H420-L442 HydrophobicContact CB-CD2 4.14Å; H420-L442 HydrophobicContact CB-CG 4.28Å; H420-L442 PolarHBondContact N-O 2.9Å; H420-D444 IonicContact CD2-OD1 3.35Å; H420-D444 IonicContact CE1-OD1 2.79Å; H420-D444 IonicContact NE2-OD1 3.09Å; H420-D444 PolarHBondContact NE2-OD1 2.8Å; H420-A514 HydrophobicContact CB-CB 4.14Å; H420-A517 WeakPolarHBondContact ND1-CB 3.48Å; H420-A518 PolarHBondContact CE1-N 3.34Å; H420-A518 VanDerWaalsContact CE1-N 3.35Å; H420-A518 WeakPolarHBondContact NE2-CA 3.44Å |
| 421 | M | 94.7 | Very high | 90.4 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 15% | 0.153 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 148.1 | -175.6 | -166.1 | 170.7 | -174.4 | 0 | 0 | 111.2 | L442 L507 A510 W511 A514 | M421-L442 PolarHBondContact N-O 3.37Å; M421-L442 PolarHBondContact O-N 2.99Å; M421-L507 HydrophobicContact CE-CD1 3.68Å; M421-A510 HydrophobicContact CE-CB 3.86Å; M421-A510 HydrophobicContact SD-CB 4.29Å; M421-W511 HydrophobicContact CB-CE3 4.38Å; M421-W511 HydrophobicContact CB-CH2 4.29Å; M421-W511 HydrophobicContact CB-CZ3 4.05Å; M421-W511 HydrophobicContact CE-CD2 4.28Å; M421-W511 HydrophobicContact CE-CG 4.28Å; M421-W511 HydrophobicContact CG-CD2 4.38Å; M421-W511 HydrophobicContact CG-CE3 4.32Å; M421-W511 HydrophobicContact CG-CH2 4.1Å; M421-W511 HydrophobicContact CG-CZ2 4.18Å; M421-W511 HydrophobicContact CG-CZ3 4.18Å; M421-W511 HydrophobicContact SD-CB 4.45Å; M421-W511 HydrophobicContact SD-CD2 3.66Å; M421-W511 HydrophobicContact SD-CE3 3.95Å; M421-W511 HydrophobicContact SD-CG 3.9Å; M421-W511 HydrophobicContact SD-CZ2 4.37Å; M421-W511 HydrophobicContact SD-CZ3 4.4Å; M421-A514 HydrophobicContact CB-CB 3.82Å; M421-A514 HydrophobicContact SD-CB 4.07Å |
| 422 | D | 95.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 160.6 | 162.3 | 65.5 | -104.2 | 0 | 0 | 0 | 112.3 | S73 Q74 F75 Y439 L440 F441 | S73-D422 WeakPolarHBondContact CA-OD1 3.23Å; S73-D422 WeakPolarHBondContact CB-OD1 3.29Å; S73-D422 PolarHBondContact OG-OD1 3.18Å; Q74-D422 PolarHBondContact N-OD2 2.82Å; F75-D422 PolarHBondContact N-OD2 3.5Å; D422-Y439 HydrophobicContact CB-CE1 3.87Å; D422-Y439 PolarHBondContact OD2-OH 3.36Å; D422-L440 CarbonylContact C-O 3.59Å; D422-L440 WeakPolarHBondContact CA-O 3.43Å; D422-L440 WeakPolarHBondContact CB-O 3.21Å; D422-F441 HydrophobicContact CB-CB 4.47Å; D422-F441 HydrophobicContact CB-CD1 3.39Å; D422-F441 HydrophobicContact CB-CE1 3.76Å; D422-F441 HydrophobicContact CB-CG 4.05Å |
| 423 | G | 93.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.4 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L440 | G423-L440 PolarHBondContact N-O 3.21Å; G423-L440 VanDerWaalsContact N-O 3.08Å; G423-L440 PolarHBondContact O-N 3.04Å |
| 424 | E | 92.5 | Very high | 89.8 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 29% | 0.29 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131 | 179.6 | -176.5 | -176.7 | 88.7 | 0 | 0 | 112.3 | T437 R438 Y439 Y481 K503 | E424-T437 HydrophobicContact CG-CG2 3.58Å; E424-T437 WeakPolarHBondContact OE2-CG2 3.21Å; E424-R438 WeakPolarHBondContact CA-O 3.33Å; E424-Y439 HydrophobicContact CB-CD2 4.24Å; E424-Y481 PolarHBondContact OE1-OH 3.01Å; E424-K503 WeakPolarHBondContact OE1-CE 3.22Å; E424-K503 IonicContact OE1-NZ 2.53Å; E424-K503 PolarHBondContact OE1-NZ 3.32Å |
| 425 | V | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 168.8 | 172.4 | -55 | 0 | 0 | 0 | 0 | 111.1 | V427 T437 R438 L440 F500 F501 T502 W511 | V425-V427 HydrophobicContact CG2-CG2 3.86Å; V425-T437 WeakPolarHBondContact O-CA 3.38Å; V425-R438 PolarHBondContact N-O 3.06Å; V425-R438 PolarHBondContact O-N 3.19Å; V425-L440 HydrophobicContact CG1-CD1 4.15Å; V425-L440 HydrophobicContact CG2-CD1 3.58Å; V425-L440 HydrophobicContact CG2-CD2 4.23Å; V425-L440 HydrophobicContact CG2-CG 3.63Å; V425-F500 HydrophobicContact CG2-CD1 4.19Å; V425-F501 WeakPolarHBondContact CB-O 3.37Å; V425-T502 HydrophobicContact CG1-CG2 4.06Å; V425-W511 HydrophobicContact CG1-CZ2 4.35Å |
| 426 | K | 93.7 | Very high | 89.8 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 27% | 0.274 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.1 | 164 | -76.1 | -174 | -177.8 | 175.4 | 0 | 110.5 | A435 K436 Y481 F500 F501 | K426-A435 HydrophobicContact CB-CB 4.07Å; K426-K436 CarbonylContact C-O 3.54Å; K426-K436 WeakPolarHBondContact CA-O 3.31Å; K426-Y481 HydrophobicContact CB-CD1 3.97Å; K426-Y481 HydrophobicContact CB-CE1 4.19Å; K426-Y481 HydrophobicContact CB-CG 4.38Å; K426-Y481 HydrophobicContact CD-CD1 4Å; K426-Y481 HydrophobicContact CD-CD2 3.62Å; K426-Y481 HydrophobicContact CD-CE1 4.35Å; K426-Y481 HydrophobicContact CD-CE2 4.01Å; K426-Y481 HydrophobicContact CD-CG 3.6Å; K426-Y481 VanDerWaalsContact CE-CE2 3.49Å; K426-Y481 HydrophobicContact CG-CD1 3.81Å; K426-Y481 HydrophobicContact CG-CD2 4.13Å; K426-Y481 HydrophobicContact CG-CE1 3.81Å; K426-Y481 HydrophobicContact CG-CE2 4.12Å; K426-Y481 HydrophobicContact CG-CG 3.96Å; K426-F500 CarbonylContact O-C 3.39Å; K426-F500 WeakPolarHBondContact O-CA 3.37Å; K426-F501 HydrophobicContact CB-CB 4.18Å; K426-F501 PolarHBondContact N-O 2.9Å; K426-F501 PolarHBondContact O-N 3.27Å |
| 427 | V | 93 | Very high | 89.8 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 128.7 | 179.6 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | V425 A435 K436 R438 L498 F500 | V425-V427 HydrophobicContact CG2-CG2 3.86Å; V427-A435 CarbonylContact O-C 3.28Å; V427-A435 VanDerWaalsContact O-CA 3.28Å; V427-A435 WeakPolarHBondContact O-CA 3.45Å; V427-K436 PolarHBondContact N-O 3.37Å; V427-K436 PolarHBondContact O-N 3.3Å; V427-R438 HydrophobicContact CB-CG 4.04Å; V427-R438 HydrophobicContact CG2-CB 3.7Å; V427-R438 HydrophobicContact CG2-CG 3.67Å; V427-L498 HydrophobicContact CG1-CB 4.44Å; V427-L498 HydrophobicContact CG1-CD1 4.36Å; V427-L498 HydrophobicContact CG1-CD2 4.12Å; V427-F500 HydrophobicContact CG1-CD1 4.41Å; V427-F500 HydrophobicContact CG1-CE1 4.19Å; V427-F500 HydrophobicContact CG2-CD1 3.77Å; V427-F500 HydrophobicContact CG2-CE1 3.92Å |
| 428 | L | 90.8 | Very high | 89.9 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.8 | 170.8 | -177.1 | 66.6 | 0 | 0 | 0 | 108.8 | E432 A435 L498 T499 F501 | L428-E432 WeakPolarHBondContact CD1-O 3.33Å; L428-A435 HydrophobicContact CB-CB 4.01Å; L428-A435 HydrophobicContact CD1-CB 4.34Å; L428-L498 WeakPolarHBondContact O-CA 3.48Å; L428-T499 PolarHBondContact N-O 2.97Å; L428-T499 PolarHBondContact O-N 2.82Å; L428-F501 HydrophobicContact CB-CD2 4.48Å; L428-F501 HydrophobicContact CB-CE2 3.76Å; L428-F501 HydrophobicContact CD2-CE2 4.15Å; L428-F501 HydrophobicContact CD2-CZ 4.45Å |
| 429 | S | 85.6 | Confident | 90.1 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 151.5 | 169.7 | 168.7 | 0 | 0 | 0 | 0 | 109.6 | S431 E432 | S429-S431 PolarHBondContact O-N 3.38Å; S429-S431 PolarHBondContact OG-N 3Å; S429-S431 PolarHBondContact OG-OG 3.1Å; S429-E432 PolarHBondContact O-N 2.85Å; S429-E432 VanDerWaalsContact O-O 3.06Å |
| 430 | E | 79 | Confident | 90.2 | Very high | 151 Ų | 151 | 55.3 Ų | 55.3 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -33.1 | 172 | -173.4 | 171.1 | -170.3 | 0 | 0 | 113.1 | E432 N497 | E430-E432 VanDerWaalsContact C-N 3.27Å; E430-E432 PolarHBondContact O-N 3.03Å; E430-N497 HydrophobicContact CB-CB 4.2Å; E430-N497 PolarHBondContact N-O 3.47Å; E430-N497 PolarHBondContact OE2-ND2 3.12Å |
| 431 | S | 78.7 | Confident | 90.3 | Very high | 105 Ų | 105 | 53.5 Ų | 53.5 | 73% | 0.734 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -11.3 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | S429 | S429-S431 PolarHBondContact O-N 3.38Å; S429-S431 PolarHBondContact OG-N 3Å; S429-S431 PolarHBondContact OG-OG 3.1Å |
| 432 | E | 81.5 | Confident | 90.4 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | trans | -115.4 | 129.3 | -173.1 | -62.8 | -168.8 | 161.1 | 0 | 0 | 112.1 | L428 S429 E430 K434 K436 | L428-E432 WeakPolarHBondContact CD1-O 3.33Å; S429-E432 PolarHBondContact O-N 2.85Å; S429-E432 VanDerWaalsContact O-O 3.06Å; E430-E432 VanDerWaalsContact C-N 3.27Å; E430-E432 PolarHBondContact O-N 3.03Å; E432-K434 VanDerWaalsContact C-N 3.28Å; E432-K434 PolarHBondContact O-N 2.81Å; E432-K436 VanDerWaalsContact CD-CE 3.46Å; E432-K436 WeakPolarHBondContact OE1-CE 3.49Å; E432-K436 IonicContact OE1-NZ 2.65Å; E432-K436 PolarHBondContact OE1-NZ 3.24Å; E432-K436 WeakPolarHBondContact OE2-CD 3.17Å; E432-K436 WeakPolarHBondContact OE2-CE 3.48Å; E432-K436 IonicContact OE2-NZ 3.42Å; E432-K436 PolarHBondContact OE2-NZ 3.34Å | ||
| 433 | N | 78.8 | Confident | 90.4 | Very high | 168 Ų | 168 | 51.9 Ų | 51.9 | 90% | 0.898 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -75.9 | -12.9 | 179.5 | -68.8 | -24.8 | 0 | 0 | 0 | 114.3 | ||
| 434 | K | 85.5 | Confident | 90.5 | Very high | 170 Ų | 170 | 51.7 Ų | 51.7 | 74% | 0.739 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -137.4 | 130.7 | -174.6 | -68.4 | -176.1 | -179.3 | 178 | 0 | 110.4 | E432 K436 | E432-K434 VanDerWaalsContact C-N 3.28Å; E432-K434 PolarHBondContact O-N 2.81Å; K434-K436 PolarHBondContact O-N 3.45Å |
| 435 | A | 88.8 | Confident | 90.5 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | trans | -65.5 | 130 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K426 V427 L428 F501 | K426-A435 HydrophobicContact CB-CB 4.07Å; V427-A435 CarbonylContact O-C 3.28Å; V427-A435 VanDerWaalsContact O-CA 3.28Å; V427-A435 WeakPolarHBondContact O-CA 3.45Å; L428-A435 HydrophobicContact CB-CB 4.01Å; L428-A435 HydrophobicContact CD1-CB 4.34Å; A435-F501 HydrophobicContact CB-CD2 4.35Å | ||
| 436 | K | 91.7 | Very high | 90.5 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 39% | 0.391 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141 | -177.9 | -60.5 | 178.4 | -176.2 | 168.2 | 0 | 110.3 | K426 V427 E432 K434 R438 | K426-K436 CarbonylContact C-O 3.54Å; K426-K436 WeakPolarHBondContact CA-O 3.31Å; V427-K436 PolarHBondContact N-O 3.37Å; V427-K436 PolarHBondContact O-N 3.3Å; E432-K436 VanDerWaalsContact CD-CE 3.46Å; E432-K436 WeakPolarHBondContact OE1-CE 3.49Å; E432-K436 IonicContact OE1-NZ 2.65Å; E432-K436 PolarHBondContact OE1-NZ 3.24Å; E432-K436 WeakPolarHBondContact OE2-CD 3.17Å; E432-K436 WeakPolarHBondContact OE2-CE 3.48Å; E432-K436 IonicContact OE2-NZ 3.42Å; E432-K436 PolarHBondContact OE2-NZ 3.34Å; K434-K436 PolarHBondContact O-N 3.45Å; K436-R438 VanDerWaalsContact CB-NH1 3.3Å; K436-R438 PolarHBondContact O-N 3.18Å |
| 437 | T | 92.4 | Very high | 90.6 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.4 | 173.7 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | E424 V425 | E424-T437 HydrophobicContact CG-CG2 3.58Å; E424-T437 WeakPolarHBondContact OE2-CG2 3.21Å; V425-T437 WeakPolarHBondContact O-CA 3.38Å |
| 438 | R | 95.4 | Very high | 90.7 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 161.3 | 177.9 | -66.6 | -66.9 | -178.3 | -88.2 | -2 | 109.4 | E424 V425 V427 K436 V449 C450 | E424-R438 WeakPolarHBondContact CA-O 3.33Å; V425-R438 PolarHBondContact N-O 3.06Å; V425-R438 PolarHBondContact O-N 3.19Å; V427-R438 HydrophobicContact CB-CG 4.04Å; V427-R438 HydrophobicContact CG2-CB 3.7Å; V427-R438 HydrophobicContact CG2-CG 3.67Å; K436-R438 VanDerWaalsContact CB-NH1 3.3Å; K436-R438 PolarHBondContact O-N 3.18Å; R438-V449 HydrophobicContact CB-CG1 3.98Å; R438-V449 HydrophobicContact CG-CG1 3.88Å; R438-C450 WeakPolarHBondContact CA-O 3.3Å; R438-C450 WeakPolarHBondContact CB-O 3.28Å; R438-C450 WeakPolarHBondContact CD-O 3.47Å |
| 439 | Y | 96.7 | Very high | 90.8 | Very high | 13 Ų | 13 | 45 Ų | 45 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.8 | 168.8 | -152.8 | -93.9 | 0 | 0 | 0 | 108.8 | Q74 F75 D422 E424 F441 C450 F457 | Q74-Y439 WeakPolarHBondContact CB-OH 3.37Å; F75-Y439 HydrophobicContact CB-CE1 4.33Å; F75-Y439 PolarHBondContact N-OH 2.87Å; D422-Y439 HydrophobicContact CB-CE1 3.87Å; D422-Y439 PolarHBondContact OD2-OH 3.36Å; E424-Y439 HydrophobicContact CB-CD2 4.24Å; Y439-F441 HydrophobicContact CD1-CD2 4.17Å; Y439-F441 HydrophobicContact CD1-CE1 4.4Å; Y439-F441 AromaticContact CD1-CE2 3.61Å; Y439-F441 HydrophobicContact CD1-CE2 3.61Å; Y439-F441 AromaticContact CD1-CZ 3.75Å; Y439-F441 HydrophobicContact CD1-CZ 3.75Å; Y439-F441 AromaticContact CE1-CE1 3.95Å; Y439-F441 HydrophobicContact CE1-CE1 3.95Å; Y439-F441 AromaticContact CE1-CE2 3.99Å; Y439-F441 HydrophobicContact CE1-CE2 3.99Å; Y439-F441 AromaticContact CE1-CZ 3.62Å; Y439-F441 HydrophobicContact CE1-CZ 3.62Å; Y439-C450 PolarHBondContact N-O 3.46Å; Y439-C450 PolarHBondContact O-N 3.38Å; Y439-F457 HydrophobicContact CD1-CD1 4.07Å; Y439-F457 AromaticContact CD1-CE1 3.53Å; Y439-F457 HydrophobicContact CD1-CE1 3.53Å; Y439-F457 AromaticContact CD1-CZ 3.8Å; Y439-F457 HydrophobicContact CD1-CZ 3.8Å; Y439-F457 AromaticContact CD2-CE1 3.65Å; Y439-F457 HydrophobicContact CD2-CE1 3.65Å; Y439-F457 HydrophobicContact CD2-CZ 4.29Å; Y439-F457 AromaticContact CE1-CE1 3.92Å; Y439-F457 HydrophobicContact CE1-CE1 3.92Å; Y439-F457 AromaticContact CE1-CZ 3.74Å; Y439-F457 HydrophobicContact CE1-CZ 3.74Å; Y439-F457 HydrophobicContact CE2-CE1 4.05Å; Y439-F457 HydrophobicContact CE2-CZ 4.26Å; Y439-F457 AromaticContact CG-CD1 3.87Å; Y439-F457 HydrophobicContact CG-CD1 3.87Å; Y439-F457 AromaticContact CG-CE1 3.34Å; Y439-F457 HydrophobicContact CG-CE1 3.34Å; Y439-F457 HydrophobicContact CG-CZ 4.04Å; Y439-F457 AromaticContact CZ-CZ 3.96Å |
| 440 | L | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.8 | -179.2 | -60.5 | -173 | 0 | 0 | 0 | 110.1 | D422 G423 V425 L447 I448 V449 F500 W511 | D422-L440 CarbonylContact C-O 3.59Å; D422-L440 WeakPolarHBondContact CA-O 3.43Å; D422-L440 WeakPolarHBondContact CB-O 3.21Å; G423-L440 PolarHBondContact N-O 3.21Å; G423-L440 VanDerWaalsContact N-O 3.08Å; G423-L440 PolarHBondContact O-N 3.04Å; V425-L440 HydrophobicContact CG1-CD1 4.15Å; V425-L440 HydrophobicContact CG2-CD1 3.58Å; V425-L440 HydrophobicContact CG2-CD2 4.23Å; V425-L440 HydrophobicContact CG2-CG 3.63Å; L440-L447 HydrophobicContact CB-CD1 4.2Å; L440-L447 HydrophobicContact CD1-CD1 4.32Å; L440-I448 CarbonylContact C-O 3.5Å; L440-I448 VanDerWaalsContact CA-O 3.32Å; L440-I448 WeakPolarHBondContact CA-O 3.28Å; L440-V449 HydrophobicContact CD2-CB 4.14Å; L440-V449 HydrophobicContact CD2-CG1 4Å; L440-V449 HydrophobicContact CD2-CG2 3.74Å; L440-F500 HydrophobicContact CD1-CD1 3.78Å; L440-F500 HydrophobicContact CD1-CE1 3.97Å; L440-F500 HydrophobicContact CD2-CE1 4.16Å; L440-W511 HydrophobicContact CB-CH2 3.47Å; L440-W511 VanDerWaalsContact CB-CH2 3.47Å; L440-W511 HydrophobicContact CB-CZ2 4.01Å; L440-W511 HydrophobicContact CB-CZ3 4.13Å; L440-W511 HydrophobicContact CD1-CH2 4.12Å; L440-W511 HydrophobicContact CD1-CZ2 4.32Å; L440-W511 HydrophobicContact CD1-CZ3 4.27Å; L440-W511 HydrophobicContact CG-CH2 4.38Å |
| 441 | F | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 118.3 | 162.4 | -63.3 | -90.6 | 0 | 0 | 0 | 108.7 | F75 I398 L402 L419 D422 Y439 F443 I448 F457 | F75-F441 HydrophobicContact CB-CE1 4.03Å; F75-F441 HydrophobicContact CB-CZ 4.28Å; F75-F441 HydrophobicContact CD1-CE1 4.47Å; F75-F441 HydrophobicContact CG-CE1 4.36Å; F75-F441 HydrophobicContact CG-CZ 4.39Å; I398-F441 HydrophobicContact CB-CE1 4.5Å; I398-F441 HydrophobicContact CD1-CD1 4.39Å; I398-F441 HydrophobicContact CD1-CE1 4.37Å; I398-F441 HydrophobicContact CG1-CE1 4.16Å; I398-F441 HydrophobicContact CG2-CD1 3.68Å; I398-F441 HydrophobicContact CG2-CE1 3.57Å; I398-F441 HydrophobicContact CG2-CG 4.24Å; I398-F441 HydrophobicContact CG2-CZ 4.02Å; L402-F441 HydrophobicContact CD2-CD2 4.25Å; L402-F441 HydrophobicContact CD2-CE2 3.8Å; L419-F441 HydrophobicContact CD1-CB 4.25Å; L419-F441 HydrophobicContact CD1-CD1 4.23Å; D422-F441 HydrophobicContact CB-CB 4.47Å; D422-F441 HydrophobicContact CB-CD1 3.39Å; D422-F441 HydrophobicContact CB-CE1 3.76Å; D422-F441 HydrophobicContact CB-CG 4.05Å; Y439-F441 HydrophobicContact CD1-CD2 4.17Å; Y439-F441 HydrophobicContact CD1-CE1 4.4Å; Y439-F441 AromaticContact CD1-CE2 3.61Å; Y439-F441 HydrophobicContact CD1-CE2 3.61Å; Y439-F441 AromaticContact CD1-CZ 3.75Å; Y439-F441 HydrophobicContact CD1-CZ 3.75Å; Y439-F441 AromaticContact CE1-CE1 3.95Å; Y439-F441 HydrophobicContact CE1-CE1 3.95Å; Y439-F441 AromaticContact CE1-CE2 3.99Å; Y439-F441 HydrophobicContact CE1-CE2 3.99Å; Y439-F441 AromaticContact CE1-CZ 3.62Å; Y439-F441 HydrophobicContact CE1-CZ 3.62Å; F441-F443 HydrophobicContact CB-CD2 4.38Å; F441-F443 HydrophobicContact CB-CE2 3.72Å; F441-I448 HydrophobicContact CB-CB 4.33Å; F441-I448 PolarHBondContact N-O 3.07Å; F441-I448 PolarHBondContact O-N 3.23Å; F441-F457 AromaticContact CE2-CD2 3.95Å; F441-F457 HydrophobicContact CE2-CD2 3.95Å; F441-F457 HydrophobicContact CE2-CE2 4.13Å; F441-F457 HydrophobicContact CE2-CG 4.23Å; F441-F457 AromaticContact CZ-CD2 3.87Å; F441-F457 HydrophobicContact CZ-CD2 3.87Å; F441-F457 AromaticContact CZ-CE2 3.63Å; F441-F457 HydrophobicContact CZ-CE2 3.63Å; F441-F457 HydrophobicContact CZ-CZ 4.12Å |
| 442 | L | 96.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 116.2 | 179.6 | 172.5 | 69.9 | 0 | 0 | 0 | 110.1 | H420 M421 L447 V465 W511 A514 V515 | H420-L442 HydrophobicContact CB-CD2 4.14Å; H420-L442 HydrophobicContact CB-CG 4.28Å; H420-L442 PolarHBondContact N-O 2.9Å; M421-L442 PolarHBondContact N-O 3.37Å; M421-L442 PolarHBondContact O-N 2.99Å; L442-L447 HydrophobicContact CB-CD1 3.97Å; L442-L447 HydrophobicContact CD1-CB 4.39Å; L442-L447 HydrophobicContact CD1-CD1 4.14Å; L442-V465 HydrophobicContact CD1-CG2 3.9Å; L442-W511 HydrophobicContact CB-CZ3 3.84Å; L442-W511 HydrophobicContact CD2-CE3 4.42Å; L442-W511 HydrophobicContact CD2-CZ3 4.33Å; L442-A514 HydrophobicContact CD2-CB 3.8Å; L442-V515 HydrophobicContact CD1-CG2 4.07Å; L442-V515 HydrophobicContact CD2-CB 4.31Å; L442-V515 HydrophobicContact CD2-CG2 3.39Å; L442-V515 HydrophobicContact CG-CG2 4.38Å |
| 443 | F | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 172.2 | 170.9 | -63.4 | -97.8 | 0 | 0 | 0 | 110.5 | I395 L413 G417 H418 L419 F441 K445 I446 I448 | I395-F443 HydrophobicContact CD1-CE1 4.17Å; I395-F443 HydrophobicContact CG1-CE1 4.02Å; I395-F443 HydrophobicContact CG2-CE1 3.99Å; I395-F443 HydrophobicContact CG2-CZ 4.44Å; L413-F443 HydrophobicContact CD1-CD2 4.2Å; L413-F443 HydrophobicContact CD1-CE1 4.4Å; L413-F443 HydrophobicContact CD1-CE2 3.77Å; L413-F443 HydrophobicContact CD1-CZ 3.9Å; L413-F443 HydrophobicContact CD2-CE1 4.28Å; L413-F443 HydrophobicContact CD2-CE2 3.94Å; L413-F443 HydrophobicContact CD2-CZ 3.49Å; L413-F443 VanDerWaalsContact CD2-CZ 3.49Å; L413-F443 HydrophobicContact CG-CE1 3.95Å; L413-F443 HydrophobicContact CG-CE2 3.98Å; L413-F443 HydrophobicContact CG-CZ 3.57Å; G417-F443 WeakPolarHBondContact O-CD1 3.4Å; H418-F443 CarbonylContact O-C 3.51Å; H418-F443 WeakPolarHBondContact O-CA 3.16Å; L419-F443 HydrophobicContact CB-CD1 4.13Å; L419-F443 HydrophobicContact CB-CE1 3.87Å; L419-F443 HydrophobicContact CB-CZ 4.38Å; L419-F443 HydrophobicContact CD1-CD1 4.47Å; L419-F443 HydrophobicContact CD1-CD2 4.32Å; L419-F443 HydrophobicContact CD1-CE1 4.1Å; L419-F443 HydrophobicContact CD1-CE2 3.93Å; L419-F443 HydrophobicContact CD1-CZ 3.79Å; F441-F443 HydrophobicContact CB-CD2 4.38Å; F441-F443 HydrophobicContact CB-CE2 3.72Å; F443-K445 VanDerWaalsContact C-N 3.29Å; F443-K445 PolarHBondContact O-N 2.68Å; F443-I446 HydrophobicContact CB-CG2 4.08Å; F443-I446 HydrophobicContact CD2-CG2 4.1Å; F443-I446 HydrophobicContact CG-CG2 4.39Å; F443-I446 PolarHBondContact N-O 3.02Å; F443-I448 HydrophobicContact CE2-CD1 4.33Å |
| 444 | D | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -50 | -48.1 | 176.6 | -72 | -57.2 | 0 | 0 | 0 | 112.8 | G417 H418 H420 N521 L522 M536 | G417-D444 WeakPolarHBondContact CA-OD2 3.48Å; H418-D444 IonicContact CG-OD2 2.74Å; H418-D444 PolarHBondContact N-OD2 2.88Å; H418-D444 IonicContact ND1-OD2 3.7Å; H418-D444 PolarHBondContact ND1-OD2 2.83Å; H418-D444 PolarHBondContact O-N 2.63Å; H420-D444 IonicContact CD2-OD1 3.35Å; H420-D444 IonicContact CE1-OD1 2.79Å; H420-D444 IonicContact NE2-OD1 3.09Å; H420-D444 PolarHBondContact NE2-OD1 2.8Å; D444-N521 VanDerWaalsContact OD1-CB 3.24Å; D444-N521 WeakPolarHBondContact OD1-CB 3.4Å; D444-N521 PolarHBondContact OD1-ND2 3.46Å; D444-L522 WeakPolarHBondContact O-CD1 3.41Å; D444-L522 WeakPolarHBondContact O-CG 3.22Å; D444-M536 HydrophobicContact CB-CE 3.78Å |
| 445 | K | 93.2 | Very high | 93.4 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -101.3 | -15.7 | -172.6 | -63.5 | 176.8 | -173.1 | 172.8 | 0 | 114.5 | Y416 F443 H464 V465 L522 M536 | Y416-K445 HydrophobicContact CD1-CB 4.34Å; Y416-K445 VanDerWaalsContact O-CB 3.28Å; Y416-K445 WeakPolarHBondContact O-CB 3.27Å; Y416-K445 WeakPolarHBondContact O-CG 3.32Å; Y416-K445 PolarHBondContact O-N 2.93Å; F443-K445 VanDerWaalsContact C-N 3.29Å; F443-K445 PolarHBondContact O-N 2.68Å; K445-H464 WeakPolarHBondContact O-CA 3.17Å; K445-V465 PolarHBondContact O-N 3.16Å; K445-L522 HydrophobicContact CB-CD2 4.49Å; K445-L522 HydrophobicContact CG-CD2 3.64Å; K445-M536 HydrophobicContact CG-CE 4.37Å |
| 446 | I | 93.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 141.7 | -168.6 | -151.7 | 168.8 | 0 | 0 | 0 | 112.4 | L407 Y416 F443 I448 A462 Y463 | L407-I446 HydrophobicContact CD2-CD1 4.18Å; Y416-I446 HydrophobicContact CD1-CB 3.98Å; Y416-I446 HydrophobicContact CD1-CD1 3.97Å; Y416-I446 HydrophobicContact CD1-CG2 4.06Å; Y416-I446 HydrophobicContact CD2-CG2 4.36Å; Y416-I446 HydrophobicContact CE1-CD1 3.89Å; Y416-I446 HydrophobicContact CG-CB 4.19Å; Y416-I446 HydrophobicContact CG-CD1 4.43Å; Y416-I446 HydrophobicContact CG-CG2 3.74Å; F443-I446 HydrophobicContact CB-CG2 4.08Å; F443-I446 HydrophobicContact CD2-CG2 4.1Å; F443-I446 HydrophobicContact CG-CG2 4.39Å; F443-I446 PolarHBondContact N-O 3.02Å; I446-I448 HydrophobicContact CG2-CD1 4.42Å; I446-I448 HydrophobicContact CG2-CG1 4.14Å; I446-A462 HydrophobicContact CD1-CB 3.57Å; I446-A462 HydrophobicContact CG1-CB 4.01Å; I446-Y463 CarbonylContact C-O 3.49Å; I446-Y463 WeakPolarHBondContact CA-O 3.44Å; I446-Y463 VanDerWaalsContact CG1-O 3.28Å; I446-Y463 WeakPolarHBondContact CG1-O 3.4Å |
| 447 | L | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.9 | 167.2 | 177.7 | 69.9 | 0 | 0 | 0 | 108.5 | L440 L442 A462 Y463 L487 I489 F500 | L440-L447 HydrophobicContact CB-CD1 4.2Å; L440-L447 HydrophobicContact CD1-CD1 4.32Å; L442-L447 HydrophobicContact CB-CD1 3.97Å; L442-L447 HydrophobicContact CD1-CB 4.39Å; L442-L447 HydrophobicContact CD1-CD1 4.14Å; L447-A462 CarbonylContact O-C 3.58Å; L447-A462 WeakPolarHBondContact O-CA 3.5Å; L447-Y463 PolarHBondContact N-O 2.92Å; L447-Y463 PolarHBondContact O-N 3.24Å; L447-L487 HydrophobicContact CD2-CD1 3.8Å; L447-I489 HydrophobicContact CB-CG2 4.37Å; L447-I489 HydrophobicContact CD2-CD1 4.03Å; L447-I489 HydrophobicContact CD2-CG2 4.1Å; L447-F500 HydrophobicContact CD2-CE1 4.35Å; L447-F500 HydrophobicContact CD2-CZ 3.93Å |
| 448 | I | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.4 | 175.9 | -59.8 | 178.5 | 0 | 0 | 0 | 109.1 | L402 L413 L440 F441 F443 I446 C450 F459 A462 | L402-I448 HydrophobicContact CD1-CD1 4.23Å; L413-I448 HydrophobicContact CD1-CD1 3.43Å; L413-I448 VanDerWaalsContact CD1-CD1 3.43Å; L440-I448 CarbonylContact C-O 3.5Å; L440-I448 VanDerWaalsContact CA-O 3.32Å; L440-I448 WeakPolarHBondContact CA-O 3.28Å; F441-I448 HydrophobicContact CB-CB 4.33Å; F441-I448 PolarHBondContact N-O 3.07Å; F441-I448 PolarHBondContact O-N 3.23Å; F443-I448 HydrophobicContact CE2-CD1 4.33Å; I446-I448 HydrophobicContact CG2-CD1 4.42Å; I446-I448 HydrophobicContact CG2-CG1 4.14Å; I448-C450 WeakPolarHBondContact CG2-SG 3.15Å; I448-F459 HydrophobicContact CG2-CD2 3.81Å; I448-F459 HydrophobicContact CG2-CE2 3.86Å; I448-A462 HydrophobicContact CG1-CB 4.26Å |
| 449 | V | 94.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.2 | 175.2 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | R438 L440 M460 F461 Y463 | R438-V449 HydrophobicContact CB-CG1 3.98Å; R438-V449 HydrophobicContact CG-CG1 3.88Å; L440-V449 HydrophobicContact CD2-CB 4.14Å; L440-V449 HydrophobicContact CD2-CG1 4Å; L440-V449 HydrophobicContact CD2-CG2 3.74Å; V449-M460 WeakPolarHBondContact O-CA 3.42Å; V449-M460 VanDerWaalsContact O-CB 3.27Å; V449-M460 WeakPolarHBondContact O-CB 3.35Å; V449-M460 PolarHBondContact O-N 3.4Å; V449-F461 HydrophobicContact CB-CB 4.48Å; V449-F461 PolarHBondContact N-O 2.73Å; V449-F461 PolarHBondContact O-N 3.4Å; V449-Y463 HydrophobicContact CG2-CD2 4.01Å; V449-Y463 HydrophobicContact CG2-CE2 3.76Å |
| 450 | C | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 164.6 | -178.6 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | L402 R438 Y439 I448 F457 T458 | L402-C450 VanDerWaalsContact CD2-SG 3.59Å; R438-C450 WeakPolarHBondContact CA-O 3.3Å; R438-C450 WeakPolarHBondContact CB-O 3.28Å; R438-C450 WeakPolarHBondContact CD-O 3.47Å; Y439-C450 PolarHBondContact N-O 3.46Å; Y439-C450 PolarHBondContact O-N 3.38Å; I448-C450 WeakPolarHBondContact CG2-SG 3.15Å; C450-F457 HydrophobicContact CB-CB 3.64Å; C450-F457 HydrophobicContact CB-CG 4.38Å; C450-T458 CarbonylContact C-O 3.51Å; C450-T458 VanDerWaalsContact CA-O 3.27Å; C450-T458 WeakPolarHBondContact CA-O 3.43Å; C450-T458 WeakPolarHBondContact CB-O 3.2Å |
| 451 | K | 94.4 | Very high | 93.1 | Very high | 116 Ų | 116 | 37 Ų | 37 | 50% | 0.504 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124 | 167.7 | -177.6 | -176.3 | 175.3 | -172.1 | 0 | 109.2 | F457 T458 M460 | K451-F457 CarbonylContact O-C 3.58Å; K451-F457 WeakPolarHBondContact O-CA 3.44Å; K451-T458 PolarHBondContact N-O 2.99Å; K451-T458 PolarHBondContact O-N 3.38Å; K451-M460 HydrophobicContact CB-CG 4.27Å; K451-M460 HydrophobicContact CB-SD 4.16Å |
| 452 | P | 91.2 | Very high | 92.8 | Very high | 53 Ų | 53 | 38.3 Ų | 38.3 | 34% | 0.344 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 137.5 | 176 | 26.9 | -33.7 | 0 | 0 | 0 | 111.2 | F457 | P452-F457 HydrophobicContact CB-CD1 4.17Å; P452-F457 HydrophobicContact CB-CE1 4.3Å |
| 453 | K | 90.4 | Very high | 92.6 | Very high | 128 Ų | 128 | 39.5 Ų | 39.5 | 56% | 0.557 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 88.4 | 178.5 | -174.7 | -175.1 | 178.2 | -175.7 | 0 | 109.3 | L403 D455 S456 | L403-K453 HydrophobicContact CD1-CD 3.98Å; K453-D455 PolarHBondContact O-N 3.01Å; K453-S456 CarbonylContact C-O 3.43Å; K453-S456 WeakPolarHBondContact CA-O 3.35Å; K453-S456 PolarHBondContact N-O 3.45Å; K453-S456 PolarHBondContact O-N 2.97Å; K453-S456 VanDerWaalsContact O-O 3.12Å |
| 454 | G | 87 | Confident | 92.5 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 80% | 0.804 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | -120 | -171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 455 | D | 84.6 | Confident | 92.3 | Very high | 88 Ų | 88 | 42.4 Ų | 42.4 | 47% | 0.471 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 0.4 | -177.4 | -72.7 | -5.5 | 0 | 0 | 0 | 113.9 | R82 K453 | R82-D455 IonicContact CZ-OD2 3.41Å; R82-D455 IonicContact NE-OD1 2.71Å; R82-D455 IonicContact NH1-OD1 2.79Å; R82-D455 IonicContact NH1-OD2 2.81Å; R82-D455 PolarHBondContact NH1-OD2 2.89Å; K453-D455 PolarHBondContact O-N 3.01Å |
| 456 | S | 91.6 | Very high | 92.2 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 171.9 | -179.8 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | S401 K453 | S401-S456 WeakPolarHBondContact O-CB 3.41Å; K453-S456 CarbonylContact C-O 3.43Å; K453-S456 WeakPolarHBondContact CA-O 3.35Å; K453-S456 PolarHBondContact N-O 3.45Å; K453-S456 PolarHBondContact O-N 2.97Å; K453-S456 VanDerWaalsContact O-O 3.12Å |
| 457 | F | 93.9 | Very high | 91.7 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132 | 179.2 | -51.3 | -88.9 | 0 | 0 | 0 | 110.9 | F75 S401 L402 L403 Y439 F441 C450 K451 P452 F459 | F75-F457 AromaticContact CD2-CE2 3.35Å; F75-F457 HydrophobicContact CD2-CE2 3.35Å; F75-F457 AromaticContact CD2-CZ 3.76Å; F75-F457 HydrophobicContact CD2-CZ 3.76Å; F75-F457 AromaticContact CE2-CE2 3.69Å; F75-F457 HydrophobicContact CE2-CE2 3.69Å; F75-F457 HydrophobicContact CE2-CZ 4.42Å; F75-F457 HydrophobicContact CG-CE2 4.03Å; F75-F457 HydrophobicContact CG-CZ 4.42Å; S401-F457 PolarHBondContact O-N 3.45Å; L402-F457 CarbonylContact C-O 3.51Å; L402-F457 WeakPolarHBondContact CA-O 3.41Å; L402-F457 HydrophobicContact CD2-CB 3.95Å; L402-F457 HydrophobicContact CD2-CD2 4.33Å; L403-F457 PolarHBondContact N-O 2.9Å; Y439-F457 HydrophobicContact CD1-CD1 4.07Å; Y439-F457 AromaticContact CD1-CE1 3.53Å; Y439-F457 HydrophobicContact CD1-CE1 3.53Å; Y439-F457 AromaticContact CD1-CZ 3.8Å; Y439-F457 HydrophobicContact CD1-CZ 3.8Å; Y439-F457 AromaticContact CD2-CE1 3.65Å; Y439-F457 HydrophobicContact CD2-CE1 3.65Å; Y439-F457 HydrophobicContact CD2-CZ 4.29Å; Y439-F457 AromaticContact CE1-CE1 3.92Å; Y439-F457 HydrophobicContact CE1-CE1 3.92Å; Y439-F457 AromaticContact CE1-CZ 3.74Å; Y439-F457 HydrophobicContact CE1-CZ 3.74Å; Y439-F457 HydrophobicContact CE2-CE1 4.05Å; Y439-F457 HydrophobicContact CE2-CZ 4.26Å; Y439-F457 AromaticContact CG-CD1 3.87Å; Y439-F457 HydrophobicContact CG-CD1 3.87Å; Y439-F457 AromaticContact CG-CE1 3.34Å; Y439-F457 HydrophobicContact CG-CE1 3.34Å; Y439-F457 HydrophobicContact CG-CZ 4.04Å; Y439-F457 AromaticContact CZ-CZ 3.96Å; F441-F457 AromaticContact CE2-CD2 3.95Å; F441-F457 HydrophobicContact CE2-CD2 3.95Å; F441-F457 HydrophobicContact CE2-CE2 4.13Å; F441-F457 HydrophobicContact CE2-CG 4.23Å; F441-F457 AromaticContact CZ-CD2 3.87Å; F441-F457 HydrophobicContact CZ-CD2 3.87Å; F441-F457 AromaticContact CZ-CE2 3.63Å; F441-F457 HydrophobicContact CZ-CE2 3.63Å; F441-F457 HydrophobicContact CZ-CZ 4.12Å; C450-F457 HydrophobicContact CB-CB 3.64Å; C450-F457 HydrophobicContact CB-CG 4.38Å; K451-F457 CarbonylContact O-C 3.58Å; K451-F457 WeakPolarHBondContact O-CA 3.44Å; P452-F457 HydrophobicContact CB-CD1 4.17Å; P452-F457 HydrophobicContact CB-CE1 4.3Å; F457-F459 PolarHBondContact O-N 3.29Å |
| 458 | T | 95.5 | Very high | 91.1 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.7 | 167.9 | -58.1 | 0 | 0 | 0 | 0 | 108.7 | C450 K451 | C450-T458 CarbonylContact C-O 3.51Å; C450-T458 VanDerWaalsContact CA-O 3.27Å; C450-T458 WeakPolarHBondContact CA-O 3.43Å; C450-T458 WeakPolarHBondContact CB-O 3.2Å; K451-T458 PolarHBondContact N-O 2.99Å; K451-T458 PolarHBondContact O-N 3.38Å |
| 459 | F | 93.6 | Very high | 90.4 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 138.6 | 173.2 | 178.2 | -88.4 | 0 | 0 | 0 | 110.5 | L403 I405 M406 I448 F457 A462 | L403-F459 WeakPolarHBondContact O-CB 3.41Å; L403-F459 PolarHBondContact O-N 3.47Å; I405-F459 HydrophobicContact CG1-CD2 4.08Å; I405-F459 HydrophobicContact CG1-CE2 4.48Å; M406-F459 HydrophobicContact CB-CD1 4.15Å; M406-F459 HydrophobicContact CB-CE1 3.74Å; M406-F459 HydrophobicContact CB-CZ 4.43Å; M406-F459 HydrophobicContact CG-CD1 4.31Å; M406-F459 HydrophobicContact CG-CE1 4.3Å; I448-F459 HydrophobicContact CG2-CD2 3.81Å; I448-F459 HydrophobicContact CG2-CE2 3.86Å; F457-F459 PolarHBondContact O-N 3.29Å; F459-A462 HydrophobicContact CE2-CB 3.93Å; F459-A462 HydrophobicContact CZ-CB 3.8Å |
| 460 | M | 90.8 | Very high | 89.7 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 30% | 0.3 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -58.8 | 177.1 | -58.8 | -82 | -58.3 | 0 | 0 | 110.8 | V449 K451 | V449-M460 WeakPolarHBondContact O-CA 3.42Å; V449-M460 VanDerWaalsContact O-CB 3.27Å; V449-M460 WeakPolarHBondContact O-CB 3.35Å; V449-M460 PolarHBondContact O-N 3.4Å; K451-M460 HydrophobicContact CB-CG 4.27Å; K451-M460 HydrophobicContact CB-SD 4.16Å |
| 461 | F | 90.2 | Very high | 89.1 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 48% | 0.482 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153 | -175.9 | -57.3 | -72.6 | 0 | 0 | 0 | 110.1 | V449 Y463 | V449-F461 HydrophobicContact CB-CB 4.48Å; V449-F461 PolarHBondContact N-O 2.73Å; V449-F461 PolarHBondContact O-N 3.4Å; F461-Y463 HydrophobicContact CB-CE1 4.45Å; F461-Y463 HydrophobicContact CB-CE2 3.75Å |
| 462 | A | 91.4 | Very high | 88.8 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 22% | 0.223 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I446 L447 I448 F459 | I446-A462 HydrophobicContact CD1-CB 3.57Å; I446-A462 HydrophobicContact CG1-CB 4.01Å; L447-A462 CarbonylContact O-C 3.58Å; L447-A462 WeakPolarHBondContact O-CA 3.5Å; I448-A462 HydrophobicContact CG1-CB 4.26Å; F459-A462 HydrophobicContact CE2-CB 3.93Å; F459-A462 HydrophobicContact CZ-CB 3.8Å |
| 463 | Y | 92.5 | Very high | 88.4 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 10% | 0.102 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.3 | -178.9 | -56.8 | -72.9 | 0 | 0 | 0 | 110.1 | I446 L447 V449 F461 I489 L490 P496 L498 | I446-Y463 CarbonylContact C-O 3.49Å; I446-Y463 WeakPolarHBondContact CA-O 3.44Å; I446-Y463 VanDerWaalsContact CG1-O 3.28Å; I446-Y463 WeakPolarHBondContact CG1-O 3.4Å; L447-Y463 PolarHBondContact N-O 2.92Å; L447-Y463 PolarHBondContact O-N 3.24Å; V449-Y463 HydrophobicContact CG2-CD2 4.01Å; V449-Y463 HydrophobicContact CG2-CE2 3.76Å; F461-Y463 HydrophobicContact CB-CE1 4.45Å; F461-Y463 HydrophobicContact CB-CE2 3.75Å; Y463-I489 HydrophobicContact CD2-CD1 3.91Å; Y463-I489 HydrophobicContact CG-CD1 4.02Å; Y463-L490 CarbonylContact C-O 3.21Å; Y463-L490 WeakPolarHBondContact CA-O 3.33Å; Y463-P496 HydrophobicContact CD1-CG 3.74Å; Y463-P496 HydrophobicContact CE1-CB 3.98Å; Y463-P496 HydrophobicContact CE1-CG 3.58Å; Y463-P496 HydrophobicContact CG-CG 4.38Å; Y463-L498 HydrophobicContact CD2-CD1 4.37Å; Y463-L498 HydrophobicContact CE2-CD1 3.58Å |
| 464 | H | 92 | Very high | 87.5 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 26% | 0.255 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 132.2 | 173.4 | -74.1 | -68.4 | 0 | 0 | 0 | 110.5 | K445 I489 L490 | K445-H464 WeakPolarHBondContact O-CA 3.17Å; H464-I489 CarbonylContact O-C 3.37Å; H464-I489 VanDerWaalsContact O-CA 3.27Å; H464-I489 WeakPolarHBondContact O-CA 3.47Å; H464-L490 PolarHBondContact N-O 3.44Å; H464-L490 PolarHBondContact O-N 3.02Å |
| 465 | V | 92.2 | Very high | 86.6 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 126.1 | 170.6 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | L442 K445 L519 L522 | L442-V465 HydrophobicContact CD1-CG2 3.9Å; K445-V465 PolarHBondContact O-N 3.16Å; V465-L519 HydrophobicContact CG1-CD2 3.66Å; V465-L519 HydrophobicContact CG1-CG 4.18Å; V465-L522 HydrophobicContact CB-CD1 4.13Å; V465-L522 HydrophobicContact CG1-CD1 4.01Å |
| 466 | V | 89.7 | Confident | 85.4 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | trans | -124.9 | 153.7 | -177.2 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | G468 P488 L490 L519 L650 | V466-G468 PolarHBondContact O-N 3.07Å; V466-P488 HydrophobicContact CG2-CB 4.46Å; V466-P488 WeakPolarHBondContact CG2-O 3.4Å; V466-P488 PolarHBondContact N-O 2.71Å; V466-P488 WeakPolarHBondContact O-CB 3.37Å; V466-L490 HydrophobicContact CG1-CB 3.79Å; V466-L490 HydrophobicContact CG1-CD2 4.33Å; V466-L490 HydrophobicContact CG2-CB 4.29Å; V466-L519 VanDerWaalsContact O-CD2 3.3Å; V466-L519 WeakPolarHBondContact O-CD2 3.49Å; V466-L650 HydrophobicContact CB-CD2 4.26Å; V466-L650 HydrophobicContact CG1-CD2 4.45Å | ||
| 467 | N | 83.8 | Confident | 83.7 | Confident | 105 Ų | 105 | 72.9 Ų | 72.9 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -67.6 | 117 | 175.1 | -170.9 | 24.4 | 0 | 0 | 0 | 110 | L650 | N467-L650 HydrophobicContact CB-CD2 4.37Š|
| 468 | G | 82.7 | Confident | 82 | Confident | 36 Ų | 36 | 78.2 Ų | 78.2 | 37% | 0.371 | 40% | 0.401 | S | S | . | . | trans | -172.4 | -178.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V466 | V466-G468 PolarHBondContact O-N 3.07Š| ||
| 469 | Q | 80 | Confident | 80.4 | Confident | 184 Ų | 184 | 87.4 Ų | 87.4 | 86% | 0.86 | 44% | 0.439 | S | S | * | . | trans | -86.1 | 147.9 | -178 | -66 | -172.2 | -5.2 | 0 | 0 | 112.5 | ||||
| 470 | F | 80.4 | Confident | 79.1 | Confident | 108 Ų | 108 | 88.6 Ų | 88.6 | 47% | 0.474 | 46% | 0.457 | S | S | . | . | trans | -103.6 | 145.3 | 168.6 | 48.5 | -96.3 | 0 | 0 | 0 | 109.9 | M512 M516 | F470-M512 HydrophobicContact CB-CE 4.1Å; F470-M512 HydrophobicContact CD2-CE 3.2Å; F470-M512 HydrophobicContact CE2-CE 3.8Å; F470-M512 HydrophobicContact CG-CE 3.82Å; F470-M516 HydrophobicContact CE1-CG 4.35Å; F470-M516 HydrophobicContact CE1-SD 4.05Å; F470-M516 HydrophobicContact CZ-SD 4.25Å | ||
| 471 | Q | 83.8 | Confident | 78.3 | Confident | 127 Ų | 127 | 86.8 Ų | 86.8 | 59% | 0.593 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.2 | 173.6 | -167.8 | 167.4 | 74 | 0 | 0 | 110.7 | F485 T486 | Q471-F485 CarbonylContact O-C 3.56Å; Q471-F485 WeakPolarHBondContact O-CA 3.36Å; Q471-T486 WeakPolarHBondContact CB-OG1 3.45Å; Q471-T486 PolarHBondContact N-OG1 3.43Å; Q471-T486 VanDerWaalsContact N-OG1 3.15Å; Q471-T486 PolarHBondContact O-N 3.33Å |
| 472 | R | 87.9 | Confident | 77.8 | Confident | 135 Ų | 135 | 82.8 Ų | 82.8 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 132.6 | 169.4 | -68 | -177.1 | 179.6 | -172.3 | 0.5 | 108.8 | M512 | R472-M512 HydrophobicContact CG-CE 3.89Å; R472-M512 HydrophobicContact CG-SD 3.72Å |
| 473 | V | 82 | Confident | 77.7 | Confident | 39 Ų | 39 | 85 Ų | 85 | 24% | 0.236 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.7 | 177.8 | -178 | 0 | 0 | 0 | 0 | 107.6 | G484 T486 T499 | V473-G484 PolarHBondContact N-O 3.43Å; V473-G484 CarbonylContact O-C 3.59Å; V473-G484 WeakPolarHBondContact O-CA 3.42Å; V473-G484 PolarHBondContact O-N 3.01Å; V473-T486 HydrophobicContact CG2-CG2 4.37Å; V473-T499 HydrophobicContact CB-CG2 4.16Å; V473-T499 HydrophobicContact CG1-CG2 4.33Å; V473-T499 HydrophobicContact CG2-CG2 4.14Å |
| 474 | T | 71.2 | Confident | 77.6 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 58% | 0.577 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.6 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 475 | L | 68.4 | Low | 77.7 | Confident | 51 Ų | 51 | 81.1 Ų | 81.1 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | trans | -93.7 | 118.1 | 174.2 | -75.4 | 174.2 | 0 | 0 | 0 | 109.8 | N477 K478 S482 F501 | L475-N477 PolarHBondContact O-N 3.47Å; L475-K478 HydrophobicContact CD1-CD 4.2Å; L475-S482 PolarHBondContact N-O 3.29Å; L475-F501 HydrophobicContact CD1-CD1 3.99Å; L475-F501 HydrophobicContact CD1-CE1 3.24Å; L475-F501 HydrophobicContact CD1-CE2 4.48Å; L475-F501 HydrophobicContact CD1-CZ 3.53Å; L475-F501 HydrophobicContact CG-CE1 3.7Å; L475-F501 HydrophobicContact CG-CZ 4.21Å | ||
| 476 | P | 59.4 | Low | 77.6 | Confident | 107 Ų | 107 | 82.4 Ų | 82.4 | 70% | 0.695 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 136.2 | 167.6 | 25.7 | -29.4 | 0 | 0 | 0 | 109 | ||
| 477 | N | 56.1 | Low | 77.7 | Confident | 167 Ų | 167 | 81.6 Ų | 81.6 | 89% | 0.893 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 32.8 | 165.3 | -62.9 | -2.2 | 0 | 0 | 0 | 120 | L475 | L475-N477 PolarHBondContact O-N 3.47Š|
| 478 | K | 58.4 | Low | 77.9 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | trans | -117.5 | 120.8 | 166.3 | -70.6 | -171.8 | -177.2 | 173.2 | 0 | 112.6 | L475 G480 | L475-K478 HydrophobicContact CD1-CD 4.2Å; K478-G480 PolarHBondContact O-N 3.41Å | ||
| 479 | K | 62.3 | Low | 78.3 | Confident | 215 Ų | 215 | 75.6 Ų | 75.6 | 94% | 0.935 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 124.8 | 172.2 | -74.1 | -172 | 175.6 | -174.7 | 0 | 110.5 | Y481 | K479-Y481 PolarHBondContact O-N 2.94Š|
| 480 | G | 65.3 | Low | 78.7 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 46% | 0.464 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -4.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | K478 K503 | K478-G480 PolarHBondContact O-N 3.41Å; G480-K503 WeakPolarHBondContact O-CA 3.15Å; G480-K503 WeakPolarHBondContact O-CG 3.47Å |
| 481 | Y | 75.3 | Confident | 78.9 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | trans | -155.7 | 52 | 180 | -83.5 | -84.2 | 0 | 0 | 0 | 111.6 | E424 K426 K479 F501 T502 K503 | E424-Y481 PolarHBondContact OE1-OH 3.01Å; K426-Y481 HydrophobicContact CB-CD1 3.97Å; K426-Y481 HydrophobicContact CB-CE1 4.19Å; K426-Y481 HydrophobicContact CB-CG 4.38Å; K426-Y481 HydrophobicContact CD-CD1 4Å; K426-Y481 HydrophobicContact CD-CD2 3.62Å; K426-Y481 HydrophobicContact CD-CE1 4.35Å; K426-Y481 HydrophobicContact CD-CE2 4.01Å; K426-Y481 HydrophobicContact CD-CG 3.6Å; K426-Y481 VanDerWaalsContact CE-CE2 3.49Å; K426-Y481 HydrophobicContact CG-CD1 3.81Å; K426-Y481 HydrophobicContact CG-CD2 4.13Å; K426-Y481 HydrophobicContact CG-CE1 3.81Å; K426-Y481 HydrophobicContact CG-CE2 4.12Å; K426-Y481 HydrophobicContact CG-CG 3.96Å; K479-Y481 PolarHBondContact O-N 2.94Å; Y481-F501 HydrophobicContact CD1-CB 4.2Å; Y481-F501 WeakPolarHBondContact CD1-O 3.49Å; Y481-F501 WeakPolarHBondContact CE1-O 3.44Å; Y481-T502 WeakPolarHBondContact CA-O 3.3Å; Y481-K503 HydrophobicContact CD1-CG 4.35Å; Y481-K503 HydrophobicContact CD2-CG 4.38Å; Y481-K503 HydrophobicContact CE1-CG 3.91Å; Y481-K503 HydrophobicContact CE2-CD 4.48Å; Y481-K503 HydrophobicContact CE2-CG 3.94Å; Y481-K503 VanDerWaalsContact CZ-CE 3.44Å; Y481-K503 WeakPolarHBondContact OH-CE 3.48Å | ||
| 482 | S | 79.6 | Confident | 78.5 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | trans | -89 | -15.7 | -175.3 | 45.1 | 0 | 0 | 0 | 0 | 114.2 | L475 G484 | L475-S482 PolarHBondContact N-O 3.29Å; S482-G484 PolarHBondContact O-N 3.2Å | ||
| 483 | Y | 89 | Confident | 77.5 | Confident | 73 Ų | 73 | 71 Ų | 71 | 29% | 0.286 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 93.2 | -172.3 | -54 | -79.7 | 0 | 0 | 0 | 110.8 | F501 T502 S504 E505 | Y483-F501 WeakPolarHBondContact O-CA 3.45Å; Y483-T502 PolarHBondContact O-N 3.5Å; Y483-T502 PolarHBondContact O-OG1 2.73Å; Y483-S504 VanDerWaalsContact CD2-CA 3.49Å; Y483-E505 HydrophobicContact CD1-CB 3.85Å; Y483-E505 HydrophobicContact CE1-CB 3.8Å; Y483-E505 HydrophobicContact CG-CB 4.41Å |
| 484 | G | 90.8 | Very high | 76.9 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 156.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V473 S482 F500 F501 R508 | V473-G484 PolarHBondContact N-O 3.43Å; V473-G484 CarbonylContact O-C 3.59Å; V473-G484 WeakPolarHBondContact O-CA 3.42Å; V473-G484 PolarHBondContact O-N 3.01Å; S482-G484 PolarHBondContact O-N 3.2Å; G484-F500 CarbonylContact C-O 3.43Å; G484-F500 WeakPolarHBondContact CA-O 3.29Å; G484-F501 VanDerWaalsContact CA-CD1 3.49Å; G484-R508 WeakPolarHBondContact O-CD 3.49Å |
| 485 | F | 92.7 | Very high | 77 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 157.2 | 172.1 | 61.5 | -78.8 | 0 | 0 | 0 | 111.8 | Q471 L487 F500 T502 R508 W511 | Q471-F485 CarbonylContact O-C 3.56Å; Q471-F485 WeakPolarHBondContact O-CA 3.36Å; F485-L487 HydrophobicContact CD2-CD2 3.62Å; F485-L487 HydrophobicContact CD2-CG 3.94Å; F485-L487 HydrophobicContact CE2-CD1 4Å; F485-L487 HydrophobicContact CE2-CD2 3.69Å; F485-L487 HydrophobicContact CE2-CG 3.82Å; F485-F500 HydrophobicContact CD1-CB 4.09Å; F485-F500 WeakPolarHBondContact CD1-O 3.26Å; F485-F500 HydrophobicContact CD2-CB 4.17Å; F485-F500 HydrophobicContact CD2-CD2 4.37Å; F485-F500 HydrophobicContact CE1-CB 3.66Å; F485-F500 HydrophobicContact CE2-CB 3.76Å; F485-F500 HydrophobicContact CE2-CD2 4.16Å; F485-F500 HydrophobicContact CE2-CG 4.15Å; F485-F500 HydrophobicContact CG-CB 4.34Å; F485-F500 HydrophobicContact CZ-CB 3.49Å; F485-F500 VanDerWaalsContact CZ-CB 3.49Å; F485-F500 HydrophobicContact CZ-CG 4.24Å; F485-F500 PolarHBondContact N-O 3.44Å; F485-F500 PolarHBondContact O-N 3.4Å; F485-T502 HydrophobicContact CE1-CG2 3.71Å; F485-T502 HydrophobicContact CZ-CG2 4.47Å; F485-R508 HydrophobicContact CB-CG 4.2Å; F485-R508 HydrophobicContact CD1-CB 4.39Å; F485-R508 HydrophobicContact CD1-CG 3.79Å; F485-R508 HydrophobicContact CG-CG 4.25Å; F485-W511 HydrophobicContact CE1-CB 4.25Å; F485-W511 HydrophobicContact CE1-CG 4.46Å; F485-W511 HydrophobicContact CE2-CB 3.91Å; F485-W511 HydrophobicContact CE2-CG 4.43Å; F485-W511 HydrophobicContact CZ-CB 3.58Å; F485-W511 HydrophobicContact CZ-CD2 4.41Å; F485-W511 AromaticContact CZ-CG 3.75Å; F485-W511 HydrophobicContact CZ-CG 3.75Å |
| 486 | T | 91.7 | Very high | 77.6 | Confident | 34 Ų | 34 | 73.5 Ų | 73.5 | 21% | 0.209 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 152.2 | 170.3 | 62.9 | 0 | 0 | 0 | 0 | 110.2 | Q471 V473 | Q471-T486 WeakPolarHBondContact CB-OG1 3.45Å; Q471-T486 PolarHBondContact N-OG1 3.43Å; Q471-T486 VanDerWaalsContact N-OG1 3.15Å; Q471-T486 PolarHBondContact O-N 3.33Å; V473-T486 HydrophobicContact CG2-CG2 4.37Å |
| 487 | L | 90.6 | Very high | 78.6 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | trans | -119.3 | 146.8 | -178.6 | -63.8 | -177.5 | 0 | 0 | 0 | 110.7 | L447 F485 I489 F500 V515 | L447-L487 HydrophobicContact CD2-CD1 3.8Å; F485-L487 HydrophobicContact CD2-CD2 3.62Å; F485-L487 HydrophobicContact CD2-CG 3.94Å; F485-L487 HydrophobicContact CE2-CD1 4Å; F485-L487 HydrophobicContact CE2-CD2 3.69Å; F485-L487 HydrophobicContact CE2-CG 3.82Å; L487-I489 VanDerWaalsContact C-N 3.34Å; L487-I489 HydrophobicContact CB-CG2 3.95Å; L487-I489 PolarHBondContact O-N 3.09Å; L487-F500 HydrophobicContact CB-CE2 4.06Å; L487-F500 HydrophobicContact CD1-CD2 4.13Å; L487-F500 HydrophobicContact CD1-CE2 3.9Å; L487-F500 HydrophobicContact CD1-CZ 4.36Å; L487-F500 HydrophobicContact CG-CD2 3.95Å; L487-F500 HydrophobicContact CG-CE2 3.87Å; L487-V515 HydrophobicContact CD1-CG2 4.04Å; L487-V515 HydrophobicContact CD2-CB 4.21Å; L487-V515 HydrophobicContact CD2-CG1 4.25Å; L487-V515 HydrophobicContact CD2-CG2 3.67Å; L487-V515 HydrophobicContact CG-CG2 4.44Å | ||
| 488 | P | 89.1 | Confident | 80.2 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 7% | 0.071 | 34% | 0.338 | C | S | . | . | trans | -79.4 | 85.4 | 175.1 | 34.4 | -34.6 | 0 | 0 | 0 | 109.5 | V466 V515 L519 | V466-P488 HydrophobicContact CG2-CB 4.46Å; V466-P488 WeakPolarHBondContact CG2-O 3.4Å; V466-P488 PolarHBondContact N-O 2.71Å; V466-P488 WeakPolarHBondContact O-CB 3.37Å; P488-V515 HydrophobicContact CG-CG1 4.39Å; P488-L519 HydrophobicContact CG-CD1 3.98Å | ||
| 489 | I | 90.9 | Very high | 81.8 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.4 | -176.1 | 59.3 | 176.7 | 0 | 0 | 0 | 110.8 | L447 Y463 H464 L487 S495 P496 L498 F500 | L447-I489 HydrophobicContact CB-CG2 4.37Å; L447-I489 HydrophobicContact CD2-CD1 4.03Å; L447-I489 HydrophobicContact CD2-CG2 4.1Å; Y463-I489 HydrophobicContact CD2-CD1 3.91Å; Y463-I489 HydrophobicContact CG-CD1 4.02Å; H464-I489 CarbonylContact O-C 3.37Å; H464-I489 VanDerWaalsContact O-CA 3.27Å; H464-I489 WeakPolarHBondContact O-CA 3.47Å; L487-I489 VanDerWaalsContact C-N 3.34Å; L487-I489 HydrophobicContact CB-CG2 3.95Å; L487-I489 PolarHBondContact O-N 3.09Å; I489-S495 PolarHBondContact O-OG 3.42Å; I489-P496 HydrophobicContact CD1-CG 4.03Å; I489-P496 HydrophobicContact CG1-CG 3.99Å; I489-P496 WeakPolarHBondContact O-CD 3.5Å; I489-L498 HydrophobicContact CD1-CD1 4.13Å; I489-F500 HydrophobicContact CD1-CE2 4.21Å; I489-F500 HydrophobicContact CD1-CZ 3.95Å |
| 490 | L | 89 | Confident | 83.3 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 29% | 0.288 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.1 | -179.8 | -175.2 | 63.9 | 0 | 0 | 0 | 110.2 | Y463 H464 V466 | Y463-L490 CarbonylContact C-O 3.21Å; Y463-L490 WeakPolarHBondContact CA-O 3.33Å; H464-L490 PolarHBondContact N-O 3.44Å; H464-L490 PolarHBondContact O-N 3.02Å; V466-L490 HydrophobicContact CG1-CB 3.79Å; V466-L490 HydrophobicContact CG1-CD2 4.33Å; V466-L490 HydrophobicContact CG2-CB 4.29Å |
| 491 | G | 84.4 | Confident | 84.7 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | trans | -92.4 | -175.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R493 D494 | G491-R493 VanDerWaalsContact C-N 3.26Å; G491-R493 PolarHBondContact O-N 3.31Å; G491-D494 PolarHBondContact N-O 3Å; G491-D494 VanDerWaalsContact N-O 3.16Å | ||
| 492 | D | 74.6 | Confident | 85.4 | Confident | 158 Ų | 158 | 48.2 Ų | 48.2 | 85% | 0.845 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -61.4 | -30.4 | -179.4 | -71.6 | -15.9 | 0 | 0 | 0 | 114.3 | ||
| 493 | R | 66 | Low | 85.7 | Confident | 231 Ų | 231 | 52 Ų | 52 | 87% | 0.872 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -109.3 | -43.1 | -173.2 | -61.7 | -170.2 | -178.1 | -151.2 | -0.1 | 113.2 | G491 | G491-R493 VanDerWaalsContact C-N 3.26Å; G491-R493 PolarHBondContact O-N 3.31Å |
| 494 | D | 70.6 | Confident | 85.6 | Confident | 130 Ų | 130 | 50.3 Ų | 50.3 | 70% | 0.695 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -157.3 | 167.8 | -175 | -72 | -58.2 | 0 | 0 | 0 | 111.7 | G491 P496 | G491-D494 PolarHBondContact N-O 3Å; G491-D494 VanDerWaalsContact N-O 3.16Å; D494-P496 WeakPolarHBondContact O-CD 3.24Å |
| 495 | S | 73.1 | Confident | 85.4 | Confident | 77 Ų | 77 | 54 Ų | 54 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | trans | -69.3 | 115.6 | 169.3 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | I489 | I489-S495 PolarHBondContact O-OG 3.42Š| ||
| 496 | P | 79.9 | Confident | 85.1 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | trans | -78.3 | 130.1 | -176.4 | 37.1 | -38.9 | 0 | 0 | 0 | 110 | Y463 I489 D494 L498 | Y463-P496 HydrophobicContact CD1-CG 3.74Å; Y463-P496 HydrophobicContact CE1-CB 3.98Å; Y463-P496 HydrophobicContact CE1-CG 3.58Å; Y463-P496 HydrophobicContact CG-CG 4.38Å; I489-P496 HydrophobicContact CD1-CG 4.03Å; I489-P496 HydrophobicContact CG1-CG 3.99Å; I489-P496 WeakPolarHBondContact O-CD 3.5Å; D494-P496 WeakPolarHBondContact O-CD 3.24Å; P496-L498 HydrophobicContact CB-CD1 4.27Å; P496-L498 HydrophobicContact CB-CG 3.94Å; P496-L498 HydrophobicContact CG-CD1 4.22Å; P496-L498 HydrophobicContact CG-CG 4.22Å; P496-L498 PolarHBondContact O-N 3.32Å | ||
| 497 | N | 81.6 | Confident | 84.9 | Confident | 104 Ų | 104 | 60.3 Ų | 60.3 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | trans | -75.9 | 77 | 172 | -75.6 | -19.7 | 0 | 0 | 0 | 110.1 | E430 | E430-N497 HydrophobicContact CB-CB 4.2Å; E430-N497 PolarHBondContact N-O 3.47Å; E430-N497 PolarHBondContact OE2-ND2 3.12Å | ||
| 498 | L | 90 | Very high | 85 | Confident | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.5 | 177.5 | -60.1 | -176.8 | 0 | 0 | 0 | 111.4 | V427 L428 Y463 I489 P496 F500 | V427-L498 HydrophobicContact CG1-CB 4.44Å; V427-L498 HydrophobicContact CG1-CD1 4.36Å; V427-L498 HydrophobicContact CG1-CD2 4.12Å; L428-L498 WeakPolarHBondContact O-CA 3.48Å; Y463-L498 HydrophobicContact CD2-CD1 4.37Å; Y463-L498 HydrophobicContact CE2-CD1 3.58Å; I489-L498 HydrophobicContact CD1-CD1 4.13Å; P496-L498 HydrophobicContact CB-CD1 4.27Å; P496-L498 HydrophobicContact CB-CG 3.94Å; P496-L498 HydrophobicContact CG-CD1 4.22Å; P496-L498 HydrophobicContact CG-CG 4.22Å; P496-L498 PolarHBondContact O-N 3.32Å; L498-F500 HydrophobicContact CB-CE2 3.94Å; L498-F500 HydrophobicContact CB-CZ 3.87Å; L498-F500 HydrophobicContact CD1-CZ 4.01Å |
| 499 | T | 91.5 | Very high | 85.1 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 18% | 0.184 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.5 | 167.4 | -50 | 0 | 0 | 0 | 0 | 109.7 | L428 V473 F501 | L428-T499 PolarHBondContact N-O 2.97Å; L428-T499 PolarHBondContact O-N 2.82Å; V473-T499 HydrophobicContact CB-CG2 4.16Å; V473-T499 HydrophobicContact CG1-CG2 4.33Å; V473-T499 HydrophobicContact CG2-CG2 4.14Å; T499-F501 HydrophobicContact CG2-CD2 4.4Å; T499-F501 HydrophobicContact CG2-CE1 4Å; T499-F501 HydrophobicContact CG2-CE2 3.63Å; T499-F501 HydrophobicContact CG2-CZ 3.39Å |
| 500 | F | 94.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.1 | 179.2 | -56.1 | -86.1 | 0 | 0 | 0 | 109.4 | V425 K426 V427 L440 L447 G484 F485 L487 I489 L498 | V425-F500 HydrophobicContact CG2-CD1 4.19Å; K426-F500 CarbonylContact O-C 3.39Å; K426-F500 WeakPolarHBondContact O-CA 3.37Å; V427-F500 HydrophobicContact CG1-CD1 4.41Å; V427-F500 HydrophobicContact CG1-CE1 4.19Å; V427-F500 HydrophobicContact CG2-CD1 3.77Å; V427-F500 HydrophobicContact CG2-CE1 3.92Å; L440-F500 HydrophobicContact CD1-CD1 3.78Å; L440-F500 HydrophobicContact CD1-CE1 3.97Å; L440-F500 HydrophobicContact CD2-CE1 4.16Å; L447-F500 HydrophobicContact CD2-CE1 4.35Å; L447-F500 HydrophobicContact CD2-CZ 3.93Å; G484-F500 CarbonylContact C-O 3.43Å; G484-F500 WeakPolarHBondContact CA-O 3.29Å; F485-F500 HydrophobicContact CD1-CB 4.09Å; F485-F500 WeakPolarHBondContact CD1-O 3.26Å; F485-F500 HydrophobicContact CD2-CB 4.17Å; F485-F500 HydrophobicContact CD2-CD2 4.37Å; F485-F500 HydrophobicContact CE1-CB 3.66Å; F485-F500 HydrophobicContact CE2-CB 3.76Å; F485-F500 HydrophobicContact CE2-CD2 4.16Å; F485-F500 HydrophobicContact CE2-CG 4.15Å; F485-F500 HydrophobicContact CG-CB 4.34Å; F485-F500 HydrophobicContact CZ-CB 3.49Å; F485-F500 VanDerWaalsContact CZ-CB 3.49Å; F485-F500 HydrophobicContact CZ-CG 4.24Å; F485-F500 PolarHBondContact N-O 3.44Å; F485-F500 PolarHBondContact O-N 3.4Å; L487-F500 HydrophobicContact CB-CE2 4.06Å; L487-F500 HydrophobicContact CD1-CD2 4.13Å; L487-F500 HydrophobicContact CD1-CE2 3.9Å; L487-F500 HydrophobicContact CD1-CZ 4.36Å; L487-F500 HydrophobicContact CG-CD2 3.95Å; L487-F500 HydrophobicContact CG-CE2 3.87Å; I489-F500 HydrophobicContact CD1-CE2 4.21Å; I489-F500 HydrophobicContact CD1-CZ 3.95Å; L498-F500 HydrophobicContact CB-CE2 3.94Å; L498-F500 HydrophobicContact CB-CZ 3.87Å; L498-F500 HydrophobicContact CD1-CZ 4.01Å |
| 501 | F | 93.4 | Very high | 85.3 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.9 | 179.2 | -61.1 | -86.4 | 0 | 0 | 0 | 110.5 | V425 K426 L428 A435 L475 Y481 Y483 G484 T499 | V425-F501 WeakPolarHBondContact CB-O 3.37Å; K426-F501 HydrophobicContact CB-CB 4.18Å; K426-F501 PolarHBondContact N-O 2.9Å; K426-F501 PolarHBondContact O-N 3.27Å; L428-F501 HydrophobicContact CB-CD2 4.48Å; L428-F501 HydrophobicContact CB-CE2 3.76Å; L428-F501 HydrophobicContact CD2-CE2 4.15Å; L428-F501 HydrophobicContact CD2-CZ 4.45Å; A435-F501 HydrophobicContact CB-CD2 4.35Å; L475-F501 HydrophobicContact CD1-CD1 3.99Å; L475-F501 HydrophobicContact CD1-CE1 3.24Å; L475-F501 HydrophobicContact CD1-CE2 4.48Å; L475-F501 HydrophobicContact CD1-CZ 3.53Å; L475-F501 HydrophobicContact CG-CE1 3.7Å; L475-F501 HydrophobicContact CG-CZ 4.21Å; Y481-F501 HydrophobicContact CD1-CB 4.2Å; Y481-F501 WeakPolarHBondContact CD1-O 3.49Å; Y481-F501 WeakPolarHBondContact CE1-O 3.44Å; Y483-F501 WeakPolarHBondContact O-CA 3.45Å; G484-F501 VanDerWaalsContact CA-CD1 3.49Å; T499-F501 HydrophobicContact CG2-CD2 4.4Å; T499-F501 HydrophobicContact CG2-CE1 4Å; T499-F501 HydrophobicContact CG2-CE2 3.63Å; T499-F501 HydrophobicContact CG2-CZ 3.39Å |
| 502 | T | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 162.4 | 179.2 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | V425 Y481 Y483 F485 S504 L507 R508 | V425-T502 HydrophobicContact CG1-CG2 4.06Å; Y481-T502 WeakPolarHBondContact CA-O 3.3Å; Y483-T502 PolarHBondContact O-N 3.5Å; Y483-T502 PolarHBondContact O-OG1 2.73Å; F485-T502 HydrophobicContact CE1-CG2 3.71Å; F485-T502 HydrophobicContact CZ-CG2 4.47Å; T502-S504 PolarHBondContact OG1-O 3.13Å; T502-L507 HydrophobicContact CG2-CB 4.32Å; T502-L507 HydrophobicContact CG2-CD2 3.96Å; T502-L507 HydrophobicContact CG2-CG 3.83Å; T502-R508 WeakPolarHBondContact OG1-CB 3.38Å; T502-R508 PolarHBondContact OG1-N 3.02Å |
| 503 | K | 86.2 | Confident | 86.4 | Confident | 104 Ų | 104 | 60.9 Ų | 60.9 | 45% | 0.452 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -72.6 | -29.2 | -177.2 | -62.2 | 177.8 | -174.5 | 162.3 | 0 | 113.1 | E424 G480 Y481 | E424-K503 WeakPolarHBondContact OE1-CE 3.22Å; E424-K503 IonicContact OE1-NZ 2.53Å; E424-K503 PolarHBondContact OE1-NZ 3.32Å; G480-K503 WeakPolarHBondContact O-CA 3.15Å; G480-K503 WeakPolarHBondContact O-CG 3.47Å; Y481-K503 HydrophobicContact CD1-CG 4.35Å; Y481-K503 HydrophobicContact CD2-CG 4.38Å; Y481-K503 HydrophobicContact CE1-CG 3.91Å; Y481-K503 HydrophobicContact CE2-CD 4.48Å; Y481-K503 HydrophobicContact CE2-CG 3.94Å; Y481-K503 VanDerWaalsContact CZ-CE 3.44Å; Y481-K503 WeakPolarHBondContact OH-CE 3.48Å |
| 504 | S | 85.6 | Confident | 87.8 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -138.6 | 162.3 | -175.8 | 89.7 | 0 | 0 | 0 | 0 | 111.9 | Y483 T502 E506 L507 R508 | Y483-S504 VanDerWaalsContact CD2-CA 3.49Å; T502-S504 PolarHBondContact OG1-O 3.13Å; S504-E506 VanDerWaalsContact C-N 3.31Å; S504-E506 WeakPolarHBondContact CB-OE2 3.37Å; S504-E506 PolarHBondContact OG-N 2.8Å; S504-E506 PolarHBondContact OG-OE2 2.9Å; S504-L507 PolarHBondContact OG-N 3.46Å; S504-R508 PolarHBondContact O-N 2.89Å |
| 505 | E | 86.3 | Confident | 88.9 | Confident | 77 Ų | 77 | 44.6 Ų | 44.6 | 36% | 0.36 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.6 | -33 | 177.9 | 173.2 | 154.3 | -145.3 | 0 | 0 | 112.1 | Y483 R508 T509 | Y483-E505 HydrophobicContact CD1-CB 3.85Å; Y483-E505 HydrophobicContact CE1-CB 3.8Å; Y483-E505 HydrophobicContact CG-CB 4.41Å; E505-R508 WeakPolarHBondContact O-CB 3.35Å; E505-R508 PolarHBondContact O-N 3.37Å; E505-R508 IonicContact OE1-NH2 3.69Å; E505-R508 PolarHBondContact OE1-NH2 3.28Å; E505-T509 WeakPolarHBondContact O-CB 3.32Å; E505-T509 PolarHBondContact O-N 2.98Å; E505-T509 PolarHBondContact O-OG1 2.92Å |
| 506 | E | 86 | Confident | 89.7 | Confident | 113 Ų | 113 | 45.1 Ų | 45.1 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 178 | -56.1 | 68.9 | -142.2 | 0 | 0 | 109.5 | S504 T509 A510 | S504-E506 VanDerWaalsContact C-N 3.31Å; S504-E506 WeakPolarHBondContact CB-OE2 3.37Å; S504-E506 PolarHBondContact OG-N 2.8Å; S504-E506 PolarHBondContact OG-OE2 2.9Å; E506-T509 CarbonylContact O-C 3.52Å; E506-T509 WeakPolarHBondContact O-CB 3.35Å; E506-T509 PolarHBondContact O-N 3.44Å; E506-T509 VanDerWaalsContact O-N 3.13Å; E506-A510 WeakPolarHBondContact O-CB 3.37Å; E506-A510 PolarHBondContact O-N 3.22Å |
| 507 | L | 88.8 | Confident | 90.4 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66 | -41.1 | 178.3 | -172 | 61.2 | 0 | 0 | 0 | 111.9 | M421 T502 S504 T509 A510 W511 | M421-L507 HydrophobicContact CE-CD1 3.68Å; T502-L507 HydrophobicContact CG2-CB 4.32Å; T502-L507 HydrophobicContact CG2-CD2 3.96Å; T502-L507 HydrophobicContact CG2-CG 3.83Å; S504-L507 PolarHBondContact OG-N 3.46Å; L507-T509 VanDerWaalsContact C-N 3.27Å; L507-T509 PolarHBondContact O-N 2.91Å; L507-A510 PolarHBondContact O-N 3.32Å; L507-W511 VanDerWaalsContact O-CD1 3.23Å; L507-W511 PolarHBondContact O-N 3.35Å |
| 508 | R | 91.7 | Very high | 91 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -46 | 170.4 | 175.5 | 176.6 | 66.4 | 179.8 | 0.1 | 110.9 | G484 F485 T502 S504 E505 W511 M512 | G484-R508 WeakPolarHBondContact O-CD 3.49Å; F485-R508 HydrophobicContact CB-CG 4.2Å; F485-R508 HydrophobicContact CD1-CB 4.39Å; F485-R508 HydrophobicContact CD1-CG 3.79Å; F485-R508 HydrophobicContact CG-CG 4.25Å; T502-R508 WeakPolarHBondContact OG1-CB 3.38Å; T502-R508 PolarHBondContact OG1-N 3.02Å; S504-R508 PolarHBondContact O-N 2.89Å; E505-R508 WeakPolarHBondContact O-CB 3.35Å; E505-R508 PolarHBondContact O-N 3.37Å; E505-R508 IonicContact OE1-NH2 3.69Å; E505-R508 PolarHBondContact OE1-NH2 3.28Å; R508-W511 PolarHBondContact O-N 2.99Å; R508-M512 HydrophobicContact CG-SD 4.19Å; R508-M512 VanDerWaalsContact O-CG 3.32Å; R508-M512 WeakPolarHBondContact O-CG 3.39Å; R508-M512 PolarHBondContact O-N 3.5Å |
| 509 | T | 90.7 | Very high | 91 | Very high | 57 Ų | 57 | 41 Ų | 41 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.5 | -39.6 | -178 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | E505 E506 L507 M512 K513 | E505-T509 WeakPolarHBondContact O-CB 3.32Å; E505-T509 PolarHBondContact O-N 2.98Å; E505-T509 PolarHBondContact O-OG1 2.92Å; E506-T509 CarbonylContact O-C 3.52Å; E506-T509 WeakPolarHBondContact O-CB 3.35Å; E506-T509 PolarHBondContact O-N 3.44Å; E506-T509 VanDerWaalsContact O-N 3.13Å; L507-T509 VanDerWaalsContact C-N 3.27Å; L507-T509 PolarHBondContact O-N 2.91Å; T509-M512 PolarHBondContact O-N 3.05Å; T509-K513 WeakPolarHBondContact O-CB 3.44Å; T509-K513 PolarHBondContact O-N 3.41Å |
| 510 | A | 91.2 | Very high | 91 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.9 | -48.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M421 E506 L507 M512 K513 A514 | M421-A510 HydrophobicContact CE-CB 3.86Å; M421-A510 HydrophobicContact SD-CB 4.29Å; E506-A510 WeakPolarHBondContact O-CB 3.37Å; E506-A510 PolarHBondContact O-N 3.22Å; L507-A510 PolarHBondContact O-N 3.32Å; A510-M512 PolarHBondContact O-N 3.26Å; A510-K513 PolarHBondContact O-N 2.74Å; A510-A514 WeakPolarHBondContact O-CB 3.39Å; A510-A514 PolarHBondContact O-N 3.24Å |
| 511 | W | 93 | Very high | 90.9 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 175.1 | -84.5 | 106.6 | 0 | 0 | 0 | 112.7 | M421 V425 L440 L442 F485 L507 R508 K513 A514 V515 | M421-W511 HydrophobicContact CB-CE3 4.38Å; M421-W511 HydrophobicContact CB-CH2 4.29Å; M421-W511 HydrophobicContact CB-CZ3 4.05Å; M421-W511 HydrophobicContact CE-CD2 4.28Å; M421-W511 HydrophobicContact CE-CG 4.28Å; M421-W511 HydrophobicContact CG-CD2 4.38Å; M421-W511 HydrophobicContact CG-CE3 4.32Å; M421-W511 HydrophobicContact CG-CH2 4.1Å; M421-W511 HydrophobicContact CG-CZ2 4.18Å; M421-W511 HydrophobicContact CG-CZ3 4.18Å; M421-W511 HydrophobicContact SD-CB 4.45Å; M421-W511 HydrophobicContact SD-CD2 3.66Å; M421-W511 HydrophobicContact SD-CE3 3.95Å; M421-W511 HydrophobicContact SD-CG 3.9Å; M421-W511 HydrophobicContact SD-CZ2 4.37Å; M421-W511 HydrophobicContact SD-CZ3 4.4Å; V425-W511 HydrophobicContact CG1-CZ2 4.35Å; L440-W511 HydrophobicContact CB-CH2 3.47Å; L440-W511 VanDerWaalsContact CB-CH2 3.47Å; L440-W511 HydrophobicContact CB-CZ2 4.01Å; L440-W511 HydrophobicContact CB-CZ3 4.13Å; L440-W511 HydrophobicContact CD1-CH2 4.12Å; L440-W511 HydrophobicContact CD1-CZ2 4.32Å; L440-W511 HydrophobicContact CD1-CZ3 4.27Å; L440-W511 HydrophobicContact CG-CH2 4.38Å; L442-W511 HydrophobicContact CB-CZ3 3.84Å; L442-W511 HydrophobicContact CD2-CE3 4.42Å; L442-W511 HydrophobicContact CD2-CZ3 4.33Å; F485-W511 HydrophobicContact CE1-CB 4.25Å; F485-W511 HydrophobicContact CE1-CG 4.46Å; F485-W511 HydrophobicContact CE2-CB 3.91Å; F485-W511 HydrophobicContact CE2-CG 4.43Å; F485-W511 HydrophobicContact CZ-CB 3.58Å; F485-W511 HydrophobicContact CZ-CD2 4.41Å; F485-W511 AromaticContact CZ-CG 3.75Å; F485-W511 HydrophobicContact CZ-CG 3.75Å; L507-W511 VanDerWaalsContact O-CD1 3.23Å; L507-W511 PolarHBondContact O-N 3.35Å; R508-W511 PolarHBondContact O-N 2.99Å; W511-K513 VanDerWaalsContact C-N 3.33Å; W511-K513 PolarHBondContact O-N 2.77Å; W511-A514 PolarHBondContact O-N 2.96Å; W511-V515 WeakPolarHBondContact O-CG2 3.34Å; W511-V515 PolarHBondContact O-N 3.49Å |
| 512 | M | 91.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 177.1 | -68.8 | -178.4 | 75.3 | 0 | 0 | 111.8 | F470 R472 R508 T509 A510 V515 M516 | F470-M512 HydrophobicContact CB-CE 4.1Å; F470-M512 HydrophobicContact CD2-CE 3.2Å; F470-M512 HydrophobicContact CE2-CE 3.8Å; F470-M512 HydrophobicContact CG-CE 3.82Å; R472-M512 HydrophobicContact CG-CE 3.89Å; R472-M512 HydrophobicContact CG-SD 3.72Å; R508-M512 HydrophobicContact CG-SD 4.19Å; R508-M512 VanDerWaalsContact O-CG 3.32Å; R508-M512 WeakPolarHBondContact O-CG 3.39Å; R508-M512 PolarHBondContact O-N 3.5Å; T509-M512 PolarHBondContact O-N 3.05Å; A510-M512 PolarHBondContact O-N 3.26Å; M512-V515 PolarHBondContact O-N 2.71Å; M512-M516 WeakPolarHBondContact O-CG 3.49Å; M512-M516 PolarHBondContact O-N 3.46Å |
| 513 | K | 92.6 | Very high | 90.6 | Very high | 152 Ų | 152 | 46 Ų | 46 | 66% | 0.661 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64 | -42.7 | 176.3 | -172.7 | -176.1 | 176.9 | -171 | 0 | 111.6 | T509 A510 W511 M516 A517 | T509-K513 WeakPolarHBondContact O-CB 3.44Å; T509-K513 PolarHBondContact O-N 3.41Å; A510-K513 PolarHBondContact O-N 2.74Å; W511-K513 VanDerWaalsContact C-N 3.33Å; W511-K513 PolarHBondContact O-N 2.77Å; K513-M516 PolarHBondContact O-N 3.33Å; K513-A517 PolarHBondContact O-N 3.43Å |
| 514 | A | 93.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H420 M421 L442 A510 W511 A517 A518 | H420-A514 HydrophobicContact CB-CB 4.14Å; M421-A514 HydrophobicContact CB-CB 3.82Å; M421-A514 HydrophobicContact SD-CB 4.07Å; L442-A514 HydrophobicContact CD2-CB 3.8Å; A510-A514 WeakPolarHBondContact O-CB 3.39Å; A510-A514 PolarHBondContact O-N 3.24Å; W511-A514 PolarHBondContact O-N 2.96Å; A514-A517 WeakPolarHBondContact O-CB 3.29Å; A514-A517 PolarHBondContact O-N 3.32Å; A514-A518 PolarHBondContact O-N 3.32Å |
| 515 | V | 93.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -38.7 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | L442 L487 P488 W511 M512 A517 A518 L519 | L442-V515 HydrophobicContact CD1-CG2 4.07Å; L442-V515 HydrophobicContact CD2-CB 4.31Å; L442-V515 HydrophobicContact CD2-CG2 3.39Å; L442-V515 HydrophobicContact CG-CG2 4.38Å; L487-V515 HydrophobicContact CD1-CG2 4.04Å; L487-V515 HydrophobicContact CD2-CB 4.21Å; L487-V515 HydrophobicContact CD2-CG1 4.25Å; L487-V515 HydrophobicContact CD2-CG2 3.67Å; L487-V515 HydrophobicContact CG-CG2 4.44Å; P488-V515 HydrophobicContact CG-CG1 4.39Å; W511-V515 WeakPolarHBondContact O-CG2 3.34Å; W511-V515 PolarHBondContact O-N 3.49Å; M512-V515 PolarHBondContact O-N 2.71Å; V515-A517 VanDerWaalsContact C-N 3.3Å; V515-A517 PolarHBondContact O-N 3.24Å; V515-A518 PolarHBondContact O-N 3.01Å; V515-L519 HydrophobicContact CG1-CD1 4.24Å; V515-L519 HydrophobicContact CG1-CG 4.44Å; V515-L519 WeakPolarHBondContact O-CG 3.33Å; V515-L519 PolarHBondContact O-N 2.82Å |
| 516 | M | 91.7 | Very high | 90.6 | Very high | 89 Ų | 89 | 39.7 Ų | 39.7 | 44% | 0.438 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.9 | -36.8 | 173.5 | -73.5 | -173.1 | -69.9 | 0 | 0 | 112.2 | F470 M512 K513 L519 S520 | F470-M516 HydrophobicContact CE1-CG 4.35Å; F470-M516 HydrophobicContact CE1-SD 4.05Å; F470-M516 HydrophobicContact CZ-SD 4.25Å; M512-M516 WeakPolarHBondContact O-CG 3.49Å; M512-M516 PolarHBondContact O-N 3.46Å; K513-M516 PolarHBondContact O-N 3.33Å; M516-L519 PolarHBondContact O-N 3.31Å; M516-S520 WeakPolarHBondContact O-CB 3.36Å; M516-S520 PolarHBondContact O-N 3.26Å |
| 517 | A | 93.1 | Very high | 90.6 | Very high | 40 Ų | 40 | 34.6 Ų | 34.6 | 33% | 0.331 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H420 K513 A514 V515 L519 S520 N521 | H420-A517 WeakPolarHBondContact ND1-CB 3.48Å; K513-A517 PolarHBondContact O-N 3.43Å; A514-A517 WeakPolarHBondContact O-CB 3.29Å; A514-A517 PolarHBondContact O-N 3.32Å; V515-A517 VanDerWaalsContact C-N 3.3Å; V515-A517 PolarHBondContact O-N 3.24Å; A517-L519 PolarHBondContact O-N 3.38Å; A517-S520 WeakPolarHBondContact O-CB 3.27Å; A517-S520 PolarHBondContact O-N 3.28Å; A517-N521 PolarHBondContact O-N 3.19Å |
| 518 | A | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | H420 A514 V515 S520 N521 L522 | H420-A518 PolarHBondContact CE1-N 3.34Å; H420-A518 VanDerWaalsContact CE1-N 3.35Å; H420-A518 WeakPolarHBondContact NE2-CA 3.44Å; A514-A518 PolarHBondContact O-N 3.32Å; V515-A518 PolarHBondContact O-N 3.01Å; A518-S520 VanDerWaalsContact C-N 3.34Å; A518-S520 PolarHBondContact O-N 2.9Å; A518-N521 WeakPolarHBondContact O-CB 3.33Å; A518-N521 PolarHBondContact O-N 3.06Å; A518-N521 VanDerWaalsContact O-N 3.09Å; A518-L522 PolarHBondContact O-N 3.3Å |
| 519 | L | 91.4 | Very high | 89.9 | Confident | 21 Ų | 21 | 39.7 Ų | 39.7 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 176.7 | -71.8 | 175.8 | 0 | 0 | 0 | 112.8 | V465 V466 P488 V515 M516 A517 N521 L522 C523 | V465-L519 HydrophobicContact CG1-CD2 3.66Å; V465-L519 HydrophobicContact CG1-CG 4.18Å; V466-L519 VanDerWaalsContact O-CD2 3.3Å; V466-L519 WeakPolarHBondContact O-CD2 3.49Å; P488-L519 HydrophobicContact CG-CD1 3.98Å; V515-L519 HydrophobicContact CG1-CD1 4.24Å; V515-L519 HydrophobicContact CG1-CG 4.44Å; V515-L519 WeakPolarHBondContact O-CG 3.33Å; V515-L519 PolarHBondContact O-N 2.82Å; M516-L519 PolarHBondContact O-N 3.31Å; A517-L519 PolarHBondContact O-N 3.38Å; L519-N521 PolarHBondContact O-N 3.2Å; L519-L522 HydrophobicContact CD2-CD1 4.33Å; L519-L522 PolarHBondContact O-N 3.16Å; L519-C523 PolarHBondContact O-N 2.72Å |
| 520 | S | 91.6 | Very high | 89.2 | Confident | 44 Ų | 44 | 42.9 Ų | 42.9 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.9 | -31.6 | 173.9 | 179.1 | 0 | 0 | 0 | 0 | 112 | M516 A517 A518 P524 K571 | M516-S520 WeakPolarHBondContact O-CB 3.36Å; M516-S520 PolarHBondContact O-N 3.26Å; A517-S520 WeakPolarHBondContact O-CB 3.27Å; A517-S520 PolarHBondContact O-N 3.28Å; A518-S520 VanDerWaalsContact C-N 3.34Å; A518-S520 PolarHBondContact O-N 2.9Å; S520-P524 VanDerWaalsContact O-CA 3.28Å; S520-P524 WeakPolarHBondContact O-CA 3.39Å; S520-P524 WeakPolarHBondContact O-CB 3.43Å; S520-K571 WeakPolarHBondContact O-CE 3.45Å; S520-K571 PolarHBondContact O-NZ 2.85Å; S520-K571 WeakPolarHBondContact OG-CE 3.32Å; S520-K571 PolarHBondContact OG-NZ 3.44Å |
| 521 | N | 92.5 | Very high | 88.7 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74 | -41.5 | 173.5 | -73.6 | -9.8 | 0 | 0 | 0 | 111.7 | D444 A517 A518 L519 M536 Y560 K571 | D444-N521 VanDerWaalsContact OD1-CB 3.24Å; D444-N521 WeakPolarHBondContact OD1-CB 3.4Å; D444-N521 PolarHBondContact OD1-ND2 3.46Å; A517-N521 PolarHBondContact O-N 3.19Å; A518-N521 WeakPolarHBondContact O-CB 3.33Å; A518-N521 PolarHBondContact O-N 3.06Å; A518-N521 VanDerWaalsContact O-N 3.09Å; L519-N521 PolarHBondContact O-N 3.2Å; N521-M536 HydrophobicContact CB-CE 4.35Å; N521-M536 HydrophobicContact CB-SD 3.74Å; N521-M536 VanDerWaalsContact O-CG 3.23Å; N521-M536 WeakPolarHBondContact O-CG 3.13Å; N521-Y560 WeakPolarHBondContact CA-OH 3.49Å; N521-Y560 WeakPolarHBondContact O-CE1 3.4Å; N521-Y560 PolarHBondContact O-OH 3.14Å; N521-K571 PolarHBondContact OD1-NZ 3.39Å |
| 522 | L | 90.8 | Very high | 88.4 | Confident | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.6 | -39.7 | 178.2 | -69.2 | 172 | 0 | 0 | 0 | 113.6 | D444 K445 V465 A518 L519 M536 | D444-L522 WeakPolarHBondContact O-CD1 3.41Å; D444-L522 WeakPolarHBondContact O-CG 3.22Å; K445-L522 HydrophobicContact CB-CD2 4.49Å; K445-L522 HydrophobicContact CG-CD2 3.64Å; V465-L522 HydrophobicContact CB-CD1 4.13Å; V465-L522 HydrophobicContact CG1-CD1 4.01Å; A518-L522 PolarHBondContact O-N 3.3Å; L519-L522 HydrophobicContact CD2-CD1 4.33Å; L519-L522 PolarHBondContact O-N 3.16Å; L522-M536 HydrophobicContact CD2-CE 3.38Å; L522-M536 HydrophobicContact CG-CE 4.06Å |
| 523 | C | 87.1 | Confident | 88.3 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 28% | 0.277 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -131.9 | 69.5 | -174.3 | -67.5 | 0 | 0 | 0 | 0 | 109.5 | L519 | L519-C523 PolarHBondContact O-N 2.72Š|
| 524 | P | 88.1 | Confident | 88.3 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | trans | -67.7 | 151.5 | -178.7 | 29.4 | -34 | 0 | 0 | 0 | 110.7 | S520 G526 A527 Y560 K571 L574 | S520-P524 VanDerWaalsContact O-CA 3.28Å; S520-P524 WeakPolarHBondContact O-CA 3.39Å; S520-P524 WeakPolarHBondContact O-CB 3.43Å; P524-G526 PolarHBondContact O-N 3.38Å; P524-A527 HydrophobicContact CG-CB 3.91Å; P524-A527 WeakPolarHBondContact O-CB 3.2Å; P524-A527 PolarHBondContact O-N 2.89Å; P524-A527 VanDerWaalsContact O-N 3.08Å; P524-Y560 HydrophobicContact CB-CE1 4.44Å; P524-Y560 HydrophobicContact CG-CD1 3.83Å; P524-Y560 HydrophobicContact CG-CE1 3.38Å; P524-Y560 HydrophobicContact CG-CE2 4.36Å; P524-Y560 HydrophobicContact CG-CG 4.48Å; P524-K571 HydrophobicContact CB-CG 3.88Å; P524-L574 HydrophobicContact CG-CD1 4.01Å | ||
| 525 | P | 85.3 | Confident | 88.2 | Confident | 73 Ų | 73 | 39.3 Ų | 39.3 | 47% | 0.474 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 136.3 | 174.7 | -24.9 | 34.2 | 0 | 0 | 0 | 111.3 | A527 L574 A575 | P525-A527 VanDerWaalsContact C-N 3.29Å; P525-A527 PolarHBondContact O-N 3.21Å; P525-L574 CarbonylContact O-C 3.59Å; P525-A575 HydrophobicContact CB-CB 4.06Å; P525-A575 WeakPolarHBondContact O-CA 3.43Å; P525-A575 PolarHBondContact O-N 3.38Å |
| 526 | G | 85.4 | Confident | 88.2 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -4.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P524 K528 D529 | P524-G526 PolarHBondContact O-N 3.38Å; G526-K528 VanDerWaalsContact C-N 3.25Å; G526-K528 PolarHBondContact O-N 3.12Å; G526-D529 PolarHBondContact O-N 3.44Å |
| 527 | A | 85.5 | Confident | 88.3 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 5% | 0.05 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P524 P525 F534 | P524-A527 HydrophobicContact CG-CB 3.91Å; P524-A527 WeakPolarHBondContact O-CB 3.2Å; P524-A527 PolarHBondContact O-N 2.89Å; P524-A527 VanDerWaalsContact O-N 3.08Å; P525-A527 VanDerWaalsContact C-N 3.29Å; P525-A527 PolarHBondContact O-N 3.21Å; A527-F534 HydrophobicContact CB-CB 4.16Å; A527-F534 PolarHBondContact O-N 3.37Å |
| 528 | K | 84.4 | Confident | 88.4 | Confident | 110 Ų | 110 | 37.3 Ų | 37.3 | 48% | 0.478 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 5.6 | -177.2 | -66.1 | -171.1 | -180 | -179.4 | 0 | 113.7 | G526 Y532 L650 | G526-K528 VanDerWaalsContact C-N 3.25Å; G526-K528 PolarHBondContact O-N 3.12Å; K528-Y532 CarbonylContact C-O 3.59Å; K528-Y532 WeakPolarHBondContact CA-O 3.39Å; K528-L650 PolarHBondContact NZ-O 3.15Å |
| 529 | D | 81.6 | Confident | 88.4 | Confident | 60 Ų | 60 | 38.6 Ų | 38.6 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -73.5 | 153.3 | -174 | -76.9 | 20.5 | 0 | 0 | 0 | 111.8 | G526 G531 Y532 H577 | G526-D529 PolarHBondContact O-N 3.44Å; D529-G531 PolarHBondContact O-N 3.42Å; D529-Y532 WeakPolarHBondContact O-CD2 3.48Å; D529-Y532 PolarHBondContact O-N 3.26Å; D529-H577 IonicContact OD2-CE1 3.34Å; D529-H577 PolarHBondContact OD2-CE1 3.2Å; D529-H577 IonicContact OD2-CG 3.39Å; D529-H577 IonicContact OD2-ND1 2.77Å; D529-H577 PolarHBondContact OD2-ND1 2.82Å |
| 530 | R | 74.8 | Confident | 88.2 | Confident | 124 Ų | 124 | 44.9 Ų | 44.9 | 47% | 0.468 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | 53.2 | 24.1 | 175.1 | -55.1 | 178.4 | -174.5 | -158.4 | -0.6 | 113.5 | Y532 H577 L579 L581 | R530-Y532 HydrophobicContact CB-CD2 4.13Å; R530-Y532 HydrophobicContact CB-CE2 4.29Å; R530-H577 PolarHBondContact NH2-O 3.37Å; R530-L579 WeakPolarHBondContact CD-O 3.28Å; R530-L579 PolarHBondContact NH1-O 3.39Å; R530-L581 HydrophobicContact CG-CD2 4.35Å |
| 531 | G | 81.4 | Confident | 88 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | 75.5 | 18.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D529 R582 | D529-G531 PolarHBondContact O-N 3.42Å; G531-R582 PolarHBondContact O-NH1 3.28Å |
| 532 | Y | 86.1 | Confident | 87.9 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | trans | -84.2 | 153.2 | 165.3 | -69.2 | -89.7 | 0 | 0 | 0 | 110 | K528 D529 R530 F534 C562 T565 R567 L579 P580 R582 | K528-Y532 CarbonylContact C-O 3.59Å; K528-Y532 WeakPolarHBondContact CA-O 3.39Å; D529-Y532 WeakPolarHBondContact O-CD2 3.48Å; D529-Y532 PolarHBondContact O-N 3.26Å; R530-Y532 HydrophobicContact CB-CD2 4.13Å; R530-Y532 HydrophobicContact CB-CE2 4.29Å; Y532-F534 AromaticContact CD1-CE2 3.77Å; Y532-F534 HydrophobicContact CD1-CE2 3.77Å; Y532-F534 HydrophobicContact CD1-CZ 4.2Å; Y532-F534 HydrophobicContact CG-CD2 4.43Å; Y532-F534 AromaticContact CG-CE2 3.77Å; Y532-F534 HydrophobicContact CG-CE2 3.77Å; Y532-C562 HydrophobicContact CD1-CB 4.16Å; Y532-T565 HydrophobicContact CD1-CG2 4.2Å; Y532-T565 HydrophobicContact CE1-CG2 3.81Å; Y532-R567 PolarHBondContact OH-NH1 2.98Å; Y532-L579 HydrophobicContact CD2-CB 4.41Å; Y532-L579 HydrophobicContact CD2-CD1 4.09Å; Y532-L579 HydrophobicContact CE2-CB 4.21Å; Y532-L579 HydrophobicContact CG-CD1 4.35Å; Y532-P580 WeakPolarHBondContact CE2-O 3.2Å; Y532-P580 PolarHBondContact OH-O 3.15Å; Y532-P580 VanDerWaalsContact OH-O 3.08Å; Y532-R582 HydrophobicContact CE2-CB 4.31Å | ||
| 533 | N | 88.8 | Confident | 88.1 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | trans | -128.4 | 86.8 | 168.2 | -67.6 | -68.6 | 0 | 0 | 0 | 110 | C562 R563 E564 | N533-C562 CarbonylContact O-C 3.57Å; N533-C562 VanDerWaalsContact O-CA 3.32Å; N533-C562 WeakPolarHBondContact O-CA 3.42Å; N533-R563 PolarHBondContact O-N 2.99Å; N533-E564 WeakPolarHBondContact CB-OE2 3.43Å; N533-E564 PolarHBondContact N-OE2 3.21Å; N533-E564 VanDerWaalsContact ND2-CD 3.33Å; N533-E564 PolarHBondContact ND2-OE1 3.37Å; N533-E564 PolarHBondContact ND2-OE2 2.9Å | ||
| 534 | F | 93.1 | Very high | 88.3 | Confident | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 139 | 179.1 | -78.8 | -85.6 | 0 | 0 | 0 | 112.7 | A527 Y532 C562 R567 A569 L574 L579 | A527-F534 HydrophobicContact CB-CB 4.16Å; A527-F534 PolarHBondContact O-N 3.37Å; Y532-F534 AromaticContact CD1-CE2 3.77Å; Y532-F534 HydrophobicContact CD1-CE2 3.77Å; Y532-F534 HydrophobicContact CD1-CZ 4.2Å; Y532-F534 HydrophobicContact CG-CD2 4.43Å; Y532-F534 AromaticContact CG-CE2 3.77Å; Y532-F534 HydrophobicContact CG-CE2 3.77Å; F534-C562 HydrophobicContact CD1-CB 3.87Å; F534-C562 VanDerWaalsContact CD1-N 3.32Å; F534-C562 HydrophobicContact CD2-CB 4.18Å; F534-C562 HydrophobicContact CE1-CB 3.7Å; F534-C562 HydrophobicContact CE2-CB 4.01Å; F534-C562 HydrophobicContact CG-CB 4.11Å; F534-C562 HydrophobicContact CZ-CB 3.77Å; F534-R567 HydrophobicContact CE1-CB 4.42Å; F534-R567 VanDerWaalsContact CE1-O 3.26Å; F534-R567 WeakPolarHBondContact CE1-O 3.47Å; F534-R567 HydrophobicContact CZ-CB 4.3Å; F534-A569 HydrophobicContact CD1-CB 4.34Å; F534-A569 HydrophobicContact CE1-CB 3.84Å; F534-A569 HydrophobicContact CZ-CB 4.32Å; F534-L574 HydrophobicContact CB-CD1 3.77Å; F534-L574 HydrophobicContact CB-CD2 4.35Å; F534-L574 HydrophobicContact CD1-CD1 4.31Å; F534-L574 HydrophobicContact CD1-CD2 4Å; F534-L574 HydrophobicContact CD2-CD1 4.49Å; F534-L574 HydrophobicContact CD2-CD2 3.52Å; F534-L574 HydrophobicContact CE1-CD2 4.11Å; F534-L574 HydrophobicContact CE2-CD2 3.66Å; F534-L574 HydrophobicContact CG-CD1 3.96Å; F534-L574 HydrophobicContact CG-CD2 3.7Å; F534-L574 HydrophobicContact CZ-CD2 3.96Å; F534-L579 HydrophobicContact CD2-CD1 4.33Å; F534-L579 HydrophobicContact CE2-CD1 3.66Å; F534-L579 HydrophobicContact CE2-CD2 3.82Å; F534-L579 HydrophobicContact CE2-CG 4.42Å; F534-L579 HydrophobicContact CZ-CD1 4.48Å; F534-L579 HydrophobicContact CZ-CD2 3.83Å |
| 535 | E | 91.7 | Very high | 88.6 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.8 | -178.3 | -41.6 | -160.8 | 105.9 | 0 | 0 | 111.5 | F537 Y560 R561 R563 N647 | E535-F537 PolarHBondContact O-N 2.93Å; E535-Y560 VanDerWaalsContact C-CD1 3.43Å; E535-Y560 CarbonylContact O-C 3.52Å; E535-Y560 WeakPolarHBondContact O-CA 3.5Å; E535-R561 PolarHBondContact N-O 2.96Å; E535-R561 PolarHBondContact O-N 3.25Å; E535-R563 HydrophobicContact CG-CG 3.89Å; E535-R563 IonicContact OE1-CZ 2.73Å; E535-R563 IonicContact OE1-NE 3.67Å; E535-R563 PolarHBondContact OE1-NE 2.88Å; E535-R563 IonicContact OE1-NH2 3.05Å; E535-R563 PolarHBondContact OE1-NH2 2.9Å; E535-R563 VanDerWaalsContact OE2-CG 3.29Å; E535-R563 WeakPolarHBondContact OE2-CG 3.37Å; E535-R563 IonicContact OE2-CZ 3.31Å; E535-R563 IonicContact OE2-NE 2.7Å; E535-R563 PolarHBondContact OE2-NE 2.83Å; E535-N647 PolarHBondContact OE1-ND2 3.48Å; E535-N647 PolarHBondContact OE1-OD1 2.6Å; E535-N647 PolarHBondContact OE2-ND2 3.27Å |
| 536 | M | 94.3 | Very high | 88.9 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 127.6 | 172.3 | -68 | -167.6 | -72.6 | 0 | 0 | 110.6 | D444 K445 N521 L522 F557 Y560 | D444-M536 HydrophobicContact CB-CE 3.78Å; K445-M536 HydrophobicContact CG-CE 4.37Å; N521-M536 HydrophobicContact CB-CE 4.35Å; N521-M536 HydrophobicContact CB-SD 3.74Å; N521-M536 VanDerWaalsContact O-CG 3.23Å; N521-M536 WeakPolarHBondContact O-CG 3.13Å; L522-M536 HydrophobicContact CD2-CE 3.38Å; L522-M536 HydrophobicContact CG-CE 4.06Å; M536-F557 HydrophobicContact CB-CB 4.43Å; M536-F557 HydrophobicContact CB-CD1 3.8Å; M536-F557 HydrophobicContact CB-CG 4.41Å; M536-Y560 HydrophobicContact CB-CE1 4.29Å; M536-Y560 HydrophobicContact CG-CD1 4.18Å; M536-Y560 HydrophobicContact CG-CE1 3.39Å |
| 537 | F | 94.3 | Very high | 89.1 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 146.5 | -173.5 | -168.3 | -99.9 | 0 | 0 | 0 | 111.7 | E535 F539 F557 G559 R561 | E535-F537 PolarHBondContact O-N 2.93Å; F537-F539 HydrophobicContact CB-CE2 4.34Å; F537-F539 HydrophobicContact CB-CZ 4.39Å; F537-F539 AromaticContact CD1-CD1 3.82Å; F537-F539 HydrophobicContact CD1-CD1 3.82Å; F537-F539 HydrophobicContact CD1-CD2 4.18Å; F537-F539 AromaticContact CD1-CE1 3.76Å; F537-F539 HydrophobicContact CD1-CE1 3.76Å; F537-F539 HydrophobicContact CD1-CE2 4.12Å; F537-F539 HydrophobicContact CD1-CG 4.03Å; F537-F539 AromaticContact CD1-CZ 3.92Å; F537-F539 HydrophobicContact CD1-CZ 3.92Å; F537-F539 HydrophobicContact CE1-CD1 4.12Å; F537-F539 HydrophobicContact CE1-CE1 4.36Å; F537-F539 HydrophobicContact CE1-CG 4.45Å; F537-F557 WeakPolarHBondContact O-CA 3.39Å; F537-G559 PolarHBondContact N-O 3.36Å; F537-R561 HydrophobicContact CB-CB 3.66Å; F537-R561 HydrophobicContact CD1-CB 4.12Å; F537-R561 VanDerWaalsContact CD2-CZ 3.43Å; F537-R561 HydrophobicContact CG-CB 3.83Å |
| 538 | T | 93.7 | Very high | 89.3 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 22% | 0.221 | 28% | 0.277 | C | S | . | . | trans | -99.7 | 109.2 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | M555 F556 F557 | T538-M555 WeakPolarHBondContact CG2-O 3.28Å; T538-F556 HydrophobicContact CG2-CB 4.19Å; T538-F556 WeakPolarHBondContact OG1-CA 3.22Å; T538-F557 PolarHBondContact OG1-N 3.38Å | ||
| 539 | F | 93.5 | Very high | 89.5 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 11% | 0.114 | 28% | 0.28 | C | S | . | . | trans | -85.1 | 129.6 | 175.6 | -58.5 | -87.3 | 0 | 0 | 0 | 110.5 | F537 T543 I552 Q558 R561 A568 | F537-F539 HydrophobicContact CB-CE2 4.34Å; F537-F539 HydrophobicContact CB-CZ 4.39Å; F537-F539 AromaticContact CD1-CD1 3.82Å; F537-F539 HydrophobicContact CD1-CD1 3.82Å; F537-F539 HydrophobicContact CD1-CD2 4.18Å; F537-F539 AromaticContact CD1-CE1 3.76Å; F537-F539 HydrophobicContact CD1-CE1 3.76Å; F537-F539 HydrophobicContact CD1-CE2 4.12Å; F537-F539 HydrophobicContact CD1-CG 4.03Å; F537-F539 AromaticContact CD1-CZ 3.92Å; F537-F539 HydrophobicContact CD1-CZ 3.92Å; F537-F539 HydrophobicContact CE1-CD1 4.12Å; F537-F539 HydrophobicContact CE1-CE1 4.36Å; F537-F539 HydrophobicContact CE1-CG 4.45Å; F539-T543 WeakPolarHBondContact CB-OG1 3.35Å; F539-T543 HydrophobicContact CD1-CG2 3.77Å; F539-T543 HydrophobicContact CE1-CG2 3.93Å; F539-T543 HydrophobicContact CG-CG2 4.16Å; F539-T543 HydrophobicContact CZ-CG2 4.45Å; F539-I552 HydrophobicContact CE2-CD1 4.28Å; F539-Q558 HydrophobicContact CD2-CG 4.19Å; F539-Q558 PolarHBondContact O-NE2 3.42Å; F539-R561 HydrophobicContact CE1-CB 4.19Å; F539-R561 HydrophobicContact CE1-CG 4.31Å; F539-R561 HydrophobicContact CZ-CB 3.82Å; F539-R561 HydrophobicContact CZ-CG 4.38Å; F539-A568 HydrophobicContact CE1-CB 3.7Å; F539-A568 HydrophobicContact CE2-CB 4.25Å; F539-A568 HydrophobicContact CZ-CB 3.45Å; F539-A568 VanDerWaalsContact CZ-CB 3.45Å | ||
| 540 | K | 87.1 | Confident | 90 | Very high | 154 Ų | 154 | 55.2 Ų | 55.2 | 67% | 0.67 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -86.1 | -16.6 | -179.3 | -63.3 | -172.7 | 175.2 | -172.5 | 0 | 113.8 | F636 | K540-F636 PolarHBondContact NZ-O 3.36Š|
| 541 | Q | 89.1 | Confident | 90.9 | Very high | 155 Ų | 155 | 49.7 Ų | 49.7 | 72% | 0.724 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -122.1 | 154 | -179.8 | -70.4 | -179.8 | -10.7 | 0 | 0 | 109.3 | T543 | Q541-T543 PolarHBondContact O-N 2.93Å; Q541-T543 PolarHBondContact O-OG1 2.89Å |
| 542 | P | 90.2 | Very high | 91.5 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | trans | -48.5 | 117.2 | 172.9 | -27.9 | 36.1 | 0 | 0 | 0 | 110.6 | L288 L551 | L288-P542 HydrophobicContact CD1-CB 3.6Å; L288-P542 HydrophobicContact CD1-CG 3.49Å; L288-P542 VanDerWaalsContact CD1-CG 3.49Å; P542-L551 HydrophobicContact CB-CD1 4.08Å | ||
| 543 | T | 93.5 | Very high | 91.7 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | trans | -127.1 | 136.3 | -173.4 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | F539 Q541 I552 A568 | F539-T543 WeakPolarHBondContact CB-OG1 3.35Å; F539-T543 HydrophobicContact CD1-CG2 3.77Å; F539-T543 HydrophobicContact CE1-CG2 3.93Å; F539-T543 HydrophobicContact CG-CG2 4.16Å; F539-T543 HydrophobicContact CZ-CG2 4.45Å; Q541-T543 PolarHBondContact O-N 2.93Å; Q541-T543 PolarHBondContact O-OG1 2.89Å; T543-I552 HydrophobicContact CG2-CD1 4.26Å; T543-I552 WeakPolarHBondContact O-CB 3.5Å; T543-I552 WeakPolarHBondContact O-CG1 3.41Å; T543-I552 PolarHBondContact O-N 3.19Å; T543-A568 HydrophobicContact CG2-CB 3.41Å; T543-A568 VanDerWaalsContact CG2-CB 3.41Å | ||
| 544 | Y | 93.3 | Very high | 91.8 | Very high | 61 Ų | 61 | 48.1 Ų | 48.1 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -104.6 | 142.3 | -177 | -62.7 | -88.1 | 0 | 0 | 0 | 110.9 | R284 D285 C546 N549 K550 L551 | R284-Y544 PolarHBondContact NE-OH 3.4Å; R284-Y544 PolarHBondContact NH2-OH 3.44Å; D285-Y544 PolarHBondContact OD1-OH 3.18Å; D285-Y544 PolarHBondContact OD2-OH 2.92Å; Y544-C546 PolarHBondContact O-N 3.33Å; Y544-N549 WeakPolarHBondContact CD1-O 3.31Å; Y544-K550 WeakPolarHBondContact CA-O 3.17Å; Y544-L551 HydrophobicContact CD1-CB 4.34Å; Y544-L551 HydrophobicContact CE1-CB 3.96Å; Y544-L551 HydrophobicContact CE1-CD1 3.96Å; Y544-L551 HydrophobicContact CE2-CD1 4.47Å |
| 545 | C | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -68.2 | 131.9 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | I547 N549 K550 I552 A568 H570 | C545-I547 PolarHBondContact O-N 3.28Å; C545-I547 VanDerWaalsContact O-N 3.07Å; C545-I547 PolarHBondContact SG-N 3.16Å; C545-I547 VanDerWaalsContact SG-N 3.36Å; C545-N549 WeakPolarHBondContact O-CA 3.4Å; C545-N549 PolarHBondContact O-N 2.95Å; C545-N549 PolarHBondContact O-OD1 3.2Å; C545-K550 PolarHBondContact N-O 3.26Å; C545-I552 HydrophobicContact CB-CD1 4.4Å; C545-I552 HydrophobicContact CB-CG1 4.23Å; C545-A568 WeakPolarHBondContact CA-O 3.31Å; C545-H570 WeakPolarHBondContact CB-CE1 3.49Å; C545-H570 WeakPolarHBondContact CB-ND1 3.46Å | ||
| 546 | C | 90.8 | Very high | 91.6 | Very high | 43 Ų | 43 | 50 Ų | 50 | 29% | 0.291 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -4.9 | -180 | 67.9 | 0 | 0 | 0 | 0 | 115.1 | Y544 R567 A568 | Y544-C546 PolarHBondContact O-N 3.33Å; C546-R567 HydrophobicContact CB-CB 4.43Å; C546-A568 PolarHBondContact N-O 2.87Å; C546-A568 PolarHBondContact SG-O 3.13Å |
| 547 | I | 89.7 | Confident | 91.6 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 16% | 0.159 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -53.6 | -177.4 | -60.8 | 169 | 0 | 0 | 0 | 110.3 | C545 A569 C573 N578 L579 | C545-I547 PolarHBondContact O-N 3.28Å; C545-I547 VanDerWaalsContact O-N 3.07Å; C545-I547 PolarHBondContact SG-N 3.16Å; C545-I547 VanDerWaalsContact SG-N 3.36Å; I547-A569 HydrophobicContact CD1-CB 4.41Å; I547-C573 HydrophobicContact CB-CB 4.02Å; I547-C573 HydrophobicContact CD1-CB 3.76Å; I547-C573 WeakPolarHBondContact CD1-O 3.46Å; I547-C573 HydrophobicContact CG1-CB 4.44Å; I547-C573 HydrophobicContact CG2-CB 4.24Å; I547-N578 HydrophobicContact CG2-CB 3.81Å; I547-L579 HydrophobicContact CD1-CD2 3.78Å; I547-L579 HydrophobicContact CD1-CG 4.03Å; I547-L579 HydrophobicContact CG1-CD2 4.1Å |
| 548 | C | 90.5 | Very high | 91.5 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -8.2 | -177.8 | 68.2 | 0 | 0 | 0 | 0 | 114 | K550 H570 C573 | C548-K550 HydrophobicContact CB-CG 4.42Å; C548-K550 PolarHBondContact O-N 3.2Å; C548-K550 VanDerWaalsContact O-N 3.08Å; C548-H570 PolarHBondContact SG-CE1 3.15Å; C548-H570 PolarHBondContact SG-ND1 3.26Å; C548-C573 VanDerWaalsContact SG-SG 3.68Å |
| 549 | N | 89.5 | Confident | 91.5 | Very high | 102 Ų | 102 | 48.5 Ų | 48.5 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | trans | 57 | 14.9 | -175.1 | -62.4 | -18 | 0 | 0 | 0 | 115.1 | Y544 C545 | Y544-N549 WeakPolarHBondContact CD1-O 3.31Å; C545-N549 WeakPolarHBondContact O-CA 3.4Å; C545-N549 PolarHBondContact O-N 2.95Å; C545-N549 PolarHBondContact O-OD1 3.2Å | ||
| 550 | K | 91.5 | Very high | 91.6 | Very high | 80 Ų | 80 | 47.7 Ų | 47.7 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | trans | -87.3 | 155.6 | 174.1 | -60.8 | -174.4 | 167.1 | -93.1 | 0 | 111 | E373 E377 Y544 C545 C548 H570 | E373-K550 IonicContact OE2-NZ 3.15Å; E373-K550 PolarHBondContact OE2-NZ 3.14Å; E373-K550 VanDerWaalsContact OE2-NZ 3.09Å; E377-K550 VanDerWaalsContact OE1-CD 3.25Å; E377-K550 WeakPolarHBondContact OE1-CD 3.4Å; E377-K550 WeakPolarHBondContact OE1-CG 3.41Å; E377-K550 IonicContact OE1-NZ 2.67Å; E377-K550 PolarHBondContact OE1-NZ 3.3Å; Y544-K550 WeakPolarHBondContact CA-O 3.17Å; C545-K550 PolarHBondContact N-O 3.26Å; C548-K550 HydrophobicContact CB-CG 4.42Å; C548-K550 PolarHBondContact O-N 3.2Å; C548-K550 VanDerWaalsContact O-N 3.08Å; K550-H570 PolarHBondContact O-CE1 3.2Å | ||
| 551 | L | 92.8 | Very high | 92 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -60.4 | 139.2 | 179.3 | -174.2 | 64 | 0 | 0 | 0 | 111.3 | L288 E377 P542 Y544 T553 H570 | L288-L551 HydrophobicContact CD1-CD1 4.19Å; L288-L551 HydrophobicContact CD1-CD2 3.86Å; L288-L551 HydrophobicContact CD2-CD2 3.69Å; L288-L551 HydrophobicContact CG-CD2 4.45Å; E377-L551 PolarHBondContact OE2-N 3.45Å; P542-L551 HydrophobicContact CB-CD1 4.08Å; Y544-L551 HydrophobicContact CD1-CB 4.34Å; Y544-L551 HydrophobicContact CE1-CB 3.96Å; Y544-L551 HydrophobicContact CE1-CD1 3.96Å; Y544-L551 HydrophobicContact CE2-CD1 4.47Å; L551-T553 HydrophobicContact CB-CG2 4.42Å; L551-T553 HydrophobicContact CD2-CG2 4.14Å; L551-T553 HydrophobicContact CG-CG2 4.14Å; L551-H570 PolarHBondContact O-NE2 3.48Å |
| 552 | I | 94.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | trans | -90.5 | 107.3 | 170.1 | -58.5 | 177 | 0 | 0 | 0 | 107.4 | F539 T543 C545 Q558 A568 | F539-I552 HydrophobicContact CE2-CD1 4.28Å; T543-I552 HydrophobicContact CG2-CD1 4.26Å; T543-I552 WeakPolarHBondContact O-CB 3.5Å; T543-I552 WeakPolarHBondContact O-CG1 3.41Å; T543-I552 PolarHBondContact O-N 3.19Å; C545-I552 HydrophobicContact CB-CD1 4.4Å; C545-I552 HydrophobicContact CB-CG1 4.23Å; I552-Q558 HydrophobicContact CG2-CB 4Å; I552-Q558 HydrophobicContact CG2-CG 3.62Å; I552-Q558 VanDerWaalsContact CG2-O 3.23Å; I552-Q558 WeakPolarHBondContact CG2-O 3.47Å; I552-A568 HydrophobicContact CD1-CB 3.63Å | ||
| 553 | T | 91.7 | Very high | 92.3 | Very high | 37 Ų | 37 | 38 Ų | 38 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | trans | -96.3 | 142.6 | -168.6 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | D384 L551 Q558 | D384-T553 VanDerWaalsContact OD2-CB 3.27Å; D384-T553 WeakPolarHBondContact OD2-CB 3.29Å; D384-T553 PolarHBondContact OD2-OG1 3.31Å; L551-T553 HydrophobicContact CB-CG2 4.42Å; L551-T553 HydrophobicContact CD2-CG2 4.14Å; L551-T553 HydrophobicContact CG-CG2 4.14Å; T553-Q558 WeakPolarHBondContact O-CB 3.21Å | ||
| 554 | G | 89.8 | Confident | 92.1 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 121.2 | 168.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D388 | D388-G554 WeakPolarHBondContact OD2-CA 3.41Š|
| 555 | M | 88.7 | Confident | 91.9 | Very high | 73 Ų | 73 | 39.5 Ų | 39.5 | 36% | 0.36 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -96.6 | -30.3 | -176.3 | -68.2 | -164.1 | 74.1 | 0 | 0 | 114.3 | V385 D388 L389 T538 | V385-M555 HydrophobicContact CB-CG 4.15Å; V385-M555 HydrophobicContact CG1-CG 3.78Å; V385-M555 HydrophobicContact CG1-SD 3.83Å; V385-M555 HydrophobicContact CG2-CG 3.99Å; D388-M555 HydrophobicContact CB-CB 3.91Å; D388-M555 HydrophobicContact CB-CG 4.11Å; D388-M555 PolarHBondContact OD2-N 3.35Å; L389-M555 HydrophobicContact CD1-SD 4.16Å; L389-M555 HydrophobicContact CD2-CE 3.86Å; L389-M555 HydrophobicContact CD2-SD 3.29Å; L389-M555 WeakPolarHBondContact CD2-SD 3.24Å; L389-M555 HydrophobicContact CG-SD 3.36Å; L389-M555 WeakPolarHBondContact CG-SD 3.45Å; T538-M555 WeakPolarHBondContact CG2-O 3.28Å |
| 556 | F | 92.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -148.5 | 139.4 | -177.3 | 77.7 | -63 | 0 | 0 | 0 | 112.3 | D388 T391 I392 I395 H418 T538 Q558 | D388-F556 HydrophobicContact CB-CD1 4.1Å; D388-F556 HydrophobicContact CB-CE1 4.06Å; T391-F556 HydrophobicContact CG2-CE1 4.49Å; T391-F556 HydrophobicContact CG2-CZ 4.14Å; I392-F556 HydrophobicContact CD1-CD1 3.75Å; I392-F556 HydrophobicContact CD1-CE1 4.06Å; I392-F556 HydrophobicContact CD1-CG 4.32Å; I392-F556 HydrophobicContact CG1-CD1 3.92Å; I392-F556 HydrophobicContact CG1-CE1 3.72Å; I392-F556 HydrophobicContact CG1-CG 4.49Å; I392-F556 HydrophobicContact CG1-CZ 4.14Å; I395-F556 HydrophobicContact CD1-CZ 4.39Å; H418-F556 AromaticContact CD2-CZ 3.51Å; H418-F556 AromaticContact CE1-CZ 3.88Å; H418-F556 AromaticContact NE2-CE1 3.55Å; H418-F556 AromaticContact NE2-CE2 3.96Å; H418-F556 AromaticContact NE2-CZ 3.33Å; H418-F556 VanDerWaalsContact NE2-CZ 3.33Å; H418-F556 WeakPolarHBondContact NE2-CZ 3.44Å; T538-F556 HydrophobicContact CG2-CB 4.19Å; T538-F556 WeakPolarHBondContact OG1-CA 3.22Å; F556-Q558 VanDerWaalsContact CA-OE1 3.24Å; F556-Q558 PolarHBondContact O-N 2.93Å |
| 557 | F | 93.1 | Very high | 91.8 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 13% | 0.127 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 47 | 29.8 | -173.1 | -58.4 | -59.8 | 0 | 0 | 0 | 114.6 | S415 M536 F537 T538 G559 | S415-F557 WeakPolarHBondContact O-CE2 3.32Å; S415-F557 VanDerWaalsContact O-CZ 3.22Å; S415-F557 WeakPolarHBondContact O-CZ 3.19Å; M536-F557 HydrophobicContact CB-CB 4.43Å; M536-F557 HydrophobicContact CB-CD1 3.8Å; M536-F557 HydrophobicContact CB-CG 4.41Å; F537-F557 WeakPolarHBondContact O-CA 3.39Å; T538-F557 PolarHBondContact OG1-N 3.38Å; F557-G559 PolarHBondContact O-N 3.38Å; F557-G559 VanDerWaalsContact O-N 3.16Å |
| 558 | Q | 92.9 | Very high | 92 | Very high | 32 Ų | 32 | 46 Ų | 46 | 15% | 0.15 | 23% | 0.225 | C | C | . | . | trans | -64.8 | -17.1 | -177.2 | 59.8 | -89.3 | 40.9 | 0 | 0 | 114.3 | F539 I552 T553 F556 | F539-Q558 HydrophobicContact CD2-CG 4.19Å; F539-Q558 PolarHBondContact O-NE2 3.42Å; I552-Q558 HydrophobicContact CG2-CB 4Å; I552-Q558 HydrophobicContact CG2-CG 3.62Å; I552-Q558 VanDerWaalsContact CG2-O 3.23Å; I552-Q558 WeakPolarHBondContact CG2-O 3.47Å; T553-Q558 WeakPolarHBondContact O-CB 3.21Å; F556-Q558 VanDerWaalsContact CA-OE1 3.24Å; F556-Q558 PolarHBondContact O-N 2.93Å | ||
| 559 | G | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | -164.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F537 F557 | F537-G559 PolarHBondContact N-O 3.36Å; F557-G559 PolarHBondContact O-N 3.38Å; F557-G559 VanDerWaalsContact O-N 3.16Å |
| 560 | Y | 95.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.6 | -172.8 | -65.8 | -97.4 | 0 | 0 | 0 | 111 | N521 P524 E535 M536 A568 A569 K571 L574 | N521-Y560 WeakPolarHBondContact CA-OH 3.49Å; N521-Y560 WeakPolarHBondContact O-CE1 3.4Å; N521-Y560 PolarHBondContact O-OH 3.14Å; P524-Y560 HydrophobicContact CB-CE1 4.44Å; P524-Y560 HydrophobicContact CG-CD1 3.83Å; P524-Y560 HydrophobicContact CG-CE1 3.38Å; P524-Y560 HydrophobicContact CG-CE2 4.36Å; P524-Y560 HydrophobicContact CG-CG 4.48Å; E535-Y560 VanDerWaalsContact C-CD1 3.43Å; E535-Y560 CarbonylContact O-C 3.52Å; E535-Y560 WeakPolarHBondContact O-CA 3.5Å; M536-Y560 HydrophobicContact CB-CE1 4.29Å; M536-Y560 HydrophobicContact CG-CD1 4.18Å; M536-Y560 HydrophobicContact CG-CE1 3.39Å; Y560-A568 CarbonylContact O-C 3.53Å; Y560-A568 VanDerWaalsContact O-CA 3.24Å; Y560-A568 WeakPolarHBondContact O-CA 3.17Å; Y560-A569 PolarHBondContact N-O 3.42Å; Y560-A569 PolarHBondContact O-N 2.83Å; Y560-K571 HydrophobicContact CD2-CB 4.33Å; Y560-K571 HydrophobicContact CE2-CB 3.6Å; Y560-K571 HydrophobicContact CE2-CD 4.5Å; Y560-K571 HydrophobicContact CE2-CG 3.86Å; Y560-L574 HydrophobicContact CD1-CD1 4.21Å; Y560-L574 HydrophobicContact CD2-CD1 4.11Å; Y560-L574 HydrophobicContact CG-CD1 3.73Å |
| 561 | R | 95.4 | Very high | 92.5 | Very high | 79 Ų | 79 | 39.7 Ų | 39.7 | 30% | 0.298 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.9 | 174.3 | -169.7 | 178.7 | 65.4 | -170.9 | 0.1 | 110.3 | E535 F537 F539 R563 R567 | E535-R561 PolarHBondContact N-O 2.96Å; E535-R561 PolarHBondContact O-N 3.25Å; F537-R561 HydrophobicContact CB-CB 3.66Å; F537-R561 HydrophobicContact CD1-CB 4.12Å; F537-R561 VanDerWaalsContact CD2-CZ 3.43Å; F537-R561 HydrophobicContact CG-CB 3.83Å; F539-R561 HydrophobicContact CE1-CB 4.19Å; F539-R561 HydrophobicContact CE1-CG 4.31Å; F539-R561 HydrophobicContact CZ-CB 3.82Å; F539-R561 HydrophobicContact CZ-CG 4.38Å; R561-R563 PolarHBondContact O-N 3.18Å; R561-R567 WeakPolarHBondContact CA-O 3.46Å |
| 562 | C | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 126.4 | 171.2 | 172 | 0 | 0 | 0 | 0 | 110.3 | Y532 N533 F534 E564 T565 N566 R567 | Y532-C562 HydrophobicContact CD1-CB 4.16Å; N533-C562 CarbonylContact O-C 3.57Å; N533-C562 VanDerWaalsContact O-CA 3.32Å; N533-C562 WeakPolarHBondContact O-CA 3.42Å; F534-C562 HydrophobicContact CD1-CB 3.87Å; F534-C562 VanDerWaalsContact CD1-N 3.32Å; F534-C562 HydrophobicContact CD2-CB 4.18Å; F534-C562 HydrophobicContact CE1-CB 3.7Å; F534-C562 HydrophobicContact CE2-CB 4.01Å; F534-C562 HydrophobicContact CG-CB 4.11Å; F534-C562 HydrophobicContact CZ-CB 3.77Å; C562-E564 VanDerWaalsContact C-N 3.32Å; C562-E564 PolarHBondContact O-N 2.98Å; C562-E564 PolarHBondContact SG-N 3.37Å; C562-E564 PolarHBondContact SG-OE2 3.34Å; C562-T565 VanDerWaalsContact CB-OG1 3.27Å; C562-T565 WeakPolarHBondContact CB-OG1 3.3Å; C562-T565 PolarHBondContact SG-N 3.05Å; C562-T565 PolarHBondContact SG-OG1 3.34Å; C562-N566 VanDerWaalsContact O-CA 3.28Å; C562-N566 WeakPolarHBondContact O-CA 3.44Å; C562-N566 PolarHBondContact O-N 3.24Å; C562-R567 PolarHBondContact N-O 3.36Å |
| 563 | R | 91 | Very high | 92.3 | Very high | 92 Ų | 92 | 45.5 Ų | 45.5 | 35% | 0.347 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -41.4 | 179 | -66.9 | -168 | -166.5 | 149.5 | 22.1 | 113 | N533 E535 R561 N647 | N533-R563 PolarHBondContact O-N 2.99Å; E535-R563 HydrophobicContact CG-CG 3.89Å; E535-R563 IonicContact OE1-CZ 2.73Å; E535-R563 IonicContact OE1-NE 3.67Å; E535-R563 PolarHBondContact OE1-NE 2.88Å; E535-R563 IonicContact OE1-NH2 3.05Å; E535-R563 PolarHBondContact OE1-NH2 2.9Å; E535-R563 VanDerWaalsContact OE2-CG 3.29Å; E535-R563 WeakPolarHBondContact OE2-CG 3.37Å; E535-R563 IonicContact OE2-CZ 3.31Å; E535-R563 IonicContact OE2-NE 2.7Å; E535-R563 PolarHBondContact OE2-NE 2.83Å; R561-R563 PolarHBondContact O-N 3.18Å; R563-N647 PolarHBondContact NH1-O 2.97Å; R563-N647 VanDerWaalsContact NH1-O 3.11Å; R563-N647 PolarHBondContact NH2-O 2.66Å; R563-N647 PolarHBondContact NH2-OD1 3.48Å |
| 564 | E | 88.5 | Confident | 92.2 | Very high | 78 Ų | 78 | 43.8 Ų | 43.8 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -28.4 | -172 | -60.8 | 74.4 | -162.6 | 0 | 0 | 113.4 | N533 C562 | N533-E564 WeakPolarHBondContact CB-OE2 3.43Å; N533-E564 PolarHBondContact N-OE2 3.21Å; N533-E564 VanDerWaalsContact ND2-CD 3.33Å; N533-E564 PolarHBondContact ND2-OE1 3.37Å; N533-E564 PolarHBondContact ND2-OE2 2.9Å; C562-E564 VanDerWaalsContact C-N 3.32Å; C562-E564 PolarHBondContact O-N 2.98Å; C562-E564 PolarHBondContact SG-N 3.37Å; C562-E564 PolarHBondContact SG-OE2 3.34Å |
| 565 | T | 89 | Confident | 92 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 29% | 0.288 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -8.2 | -171 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | Y532 C562 R567 | Y532-T565 HydrophobicContact CD1-CG2 4.2Å; Y532-T565 HydrophobicContact CE1-CG2 3.81Å; C562-T565 VanDerWaalsContact CB-OG1 3.27Å; C562-T565 WeakPolarHBondContact CB-OG1 3.3Å; C562-T565 PolarHBondContact SG-N 3.05Å; C562-T565 PolarHBondContact SG-OG1 3.34Å; T565-R567 PolarHBondContact O-N 3.23Å |
| 566 | N | 90.6 | Very high | 91.6 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 58% | 0.583 | 23% | 0.227 | S | C | * | . | trans | 55.5 | 11.1 | -173.1 | -68.9 | -44.1 | 0 | 0 | 0 | 115.3 | C562 | C562-N566 VanDerWaalsContact O-CA 3.28Å; C562-N566 WeakPolarHBondContact O-CA 3.44Å; C562-N566 PolarHBondContact O-N 3.24Å | ||
| 567 | R | 92.2 | Very high | 90.3 | Very high | 96 Ų | 96 | 49.8 Ų | 49.8 | 36% | 0.362 | 24% | 0.242 | S | C | . | . | trans | -64.6 | 142.1 | 174.5 | -70.6 | -174.9 | 177 | -172.1 | -3 | 110.4 | Y532 F534 C546 R561 C562 T565 | Y532-R567 PolarHBondContact OH-NH1 2.98Å; F534-R567 HydrophobicContact CE1-CB 4.42Å; F534-R567 VanDerWaalsContact CE1-O 3.26Å; F534-R567 WeakPolarHBondContact CE1-O 3.47Å; F534-R567 HydrophobicContact CZ-CB 4.3Å; C546-R567 HydrophobicContact CB-CB 4.43Å; R561-R567 WeakPolarHBondContact CA-O 3.46Å; C562-R567 PolarHBondContact N-O 3.36Å; T565-R567 PolarHBondContact O-N 3.23Å | ||
| 568 | A | 94.1 | Very high | 89 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | F539 T543 C545 C546 I552 Y560 | F539-A568 HydrophobicContact CE1-CB 3.7Å; F539-A568 HydrophobicContact CE2-CB 4.25Å; F539-A568 HydrophobicContact CZ-CB 3.45Å; F539-A568 VanDerWaalsContact CZ-CB 3.45Å; T543-A568 HydrophobicContact CG2-CB 3.41Å; T543-A568 VanDerWaalsContact CG2-CB 3.41Å; C545-A568 WeakPolarHBondContact CA-O 3.31Å; C546-A568 PolarHBondContact N-O 2.87Å; C546-A568 PolarHBondContact SG-O 3.13Å; I552-A568 HydrophobicContact CD1-CB 3.63Å; Y560-A568 CarbonylContact O-C 3.53Å; Y560-A568 VanDerWaalsContact O-CA 3.24Å; Y560-A568 WeakPolarHBondContact O-CA 3.17Å |
| 569 | A | 94 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 150.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F534 I547 Y560 L574 | F534-A569 HydrophobicContact CD1-CB 4.34Å; F534-A569 HydrophobicContact CE1-CB 3.84Å; F534-A569 HydrophobicContact CZ-CB 4.32Å; I547-A569 HydrophobicContact CD1-CB 4.41Å; Y560-A569 PolarHBondContact N-O 3.42Å; Y560-A569 PolarHBondContact O-N 2.83Å; A569-L574 HydrophobicContact CB-CD2 3.66Å; A569-L574 HydrophobicContact CB-CG 3.9Å |
| 570 | H | 94.1 | Very high | 86.4 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 19% | 0.185 | 28% | 0.278 | C | S | . | . | trans | -72.6 | 154.5 | 167.3 | -55.6 | 105.9 | 0 | 0 | 0 | 111 | C545 C548 K550 L551 N572 C573 L574 | C545-H570 WeakPolarHBondContact CB-CE1 3.49Å; C545-H570 WeakPolarHBondContact CB-ND1 3.46Å; C548-H570 PolarHBondContact SG-CE1 3.15Å; C548-H570 PolarHBondContact SG-ND1 3.26Å; K550-H570 PolarHBondContact O-CE1 3.2Å; L551-H570 PolarHBondContact O-NE2 3.48Å; H570-N572 VanDerWaalsContact C-N 3.33Å; H570-N572 PolarHBondContact O-N 3.18Å; H570-C573 HydrophobicContact CB-CB 4.14Å; H570-C573 PolarHBondContact O-N 3.27Å; H570-C573 VanDerWaalsContact O-N 3.17Å; H570-L574 PolarHBondContact O-N 3.35Å; H570-L574 VanDerWaalsContact O-N 3.15Å | ||
| 571 | K | 92.7 | Very high | 84.6 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -50.8 | -51 | 173.8 | -163.5 | 177.3 | 173.7 | -178.3 | 0 | 112.4 | S520 N521 P524 Y560 C573 L574 A575 | S520-K571 WeakPolarHBondContact O-CE 3.45Å; S520-K571 PolarHBondContact O-NZ 2.85Å; S520-K571 WeakPolarHBondContact OG-CE 3.32Å; S520-K571 PolarHBondContact OG-NZ 3.44Å; N521-K571 PolarHBondContact OD1-NZ 3.39Å; P524-K571 HydrophobicContact CB-CG 3.88Å; Y560-K571 HydrophobicContact CD2-CB 4.33Å; Y560-K571 HydrophobicContact CE2-CB 3.6Å; Y560-K571 HydrophobicContact CE2-CD 4.5Å; Y560-K571 HydrophobicContact CE2-CG 3.86Å; K571-C573 VanDerWaalsContact C-N 3.33Å; K571-C573 PolarHBondContact O-N 2.9Å; K571-L574 PolarHBondContact O-N 2.94Å; K571-A575 PolarHBondContact O-N 2.93Å |
| 572 | N | 91.2 | Very high | 82.7 | Confident | 122 Ų | 122 | 64 Ų | 64 | 65% | 0.652 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.9 | -32.2 | -176.8 | -66.2 | -13.5 | 0 | 0 | 0 | 112.3 | H570 A575 N576 | H570-N572 VanDerWaalsContact C-N 3.33Å; H570-N572 PolarHBondContact O-N 3.18Å; N572-A575 PolarHBondContact O-N 2.99Å; N572-N576 PolarHBondContact O-N 3.35Å; N572-N576 PolarHBondContact O-ND2 2.85Å |
| 573 | C | 91.7 | Very high | 80.4 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 12% | 0.122 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68 | -36.6 | 177.4 | -68 | 0 | 0 | 0 | 0 | 111.7 | I547 C548 H570 K571 A575 N576 | I547-C573 HydrophobicContact CB-CB 4.02Å; I547-C573 HydrophobicContact CD1-CB 3.76Å; I547-C573 WeakPolarHBondContact CD1-O 3.46Å; I547-C573 HydrophobicContact CG1-CB 4.44Å; I547-C573 HydrophobicContact CG2-CB 4.24Å; C548-C573 VanDerWaalsContact SG-SG 3.68Å; H570-C573 HydrophobicContact CB-CB 4.14Å; H570-C573 PolarHBondContact O-N 3.27Å; H570-C573 VanDerWaalsContact O-N 3.17Å; K571-C573 VanDerWaalsContact C-N 3.33Å; K571-C573 PolarHBondContact O-N 2.9Å; C573-A575 VanDerWaalsContact C-N 3.35Å; C573-N576 PolarHBondContact O-N 3.48Å |
| 574 | L | 90 | Very high | 77.8 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 173.1 | -66 | 176.8 | 0 | 0 | 0 | 111.6 | P524 P525 F534 Y560 A569 H570 K571 N576 H577 L579 | P524-L574 HydrophobicContact CG-CD1 4.01Å; P525-L574 CarbonylContact O-C 3.59Å; F534-L574 HydrophobicContact CB-CD1 3.77Å; F534-L574 HydrophobicContact CB-CD2 4.35Å; F534-L574 HydrophobicContact CD1-CD1 4.31Å; F534-L574 HydrophobicContact CD1-CD2 4Å; F534-L574 HydrophobicContact CD2-CD1 4.49Å; F534-L574 HydrophobicContact CD2-CD2 3.52Å; F534-L574 HydrophobicContact CE1-CD2 4.11Å; F534-L574 HydrophobicContact CE2-CD2 3.66Å; F534-L574 HydrophobicContact CG-CD1 3.96Å; F534-L574 HydrophobicContact CG-CD2 3.7Å; F534-L574 HydrophobicContact CZ-CD2 3.96Å; Y560-L574 HydrophobicContact CD1-CD1 4.21Å; Y560-L574 HydrophobicContact CD2-CD1 4.11Å; Y560-L574 HydrophobicContact CG-CD1 3.73Å; A569-L574 HydrophobicContact CB-CD2 3.66Å; A569-L574 HydrophobicContact CB-CG 3.9Å; H570-L574 PolarHBondContact O-N 3.35Å; H570-L574 VanDerWaalsContact O-N 3.15Å; K571-L574 PolarHBondContact O-N 2.94Å; L574-N576 PolarHBondContact O-N 2.97Å; L574-H577 PolarHBondContact O-N 3.42Å; L574-L579 HydrophobicContact CD2-CD1 4.1Å |
| 575 | A | 86.6 | Confident | 75 | Confident | 33 Ų | 33 | 71 Ų | 71 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.3 | -23.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P525 K571 N572 C573 H577 | P525-A575 HydrophobicContact CB-CB 4.06Å; P525-A575 WeakPolarHBondContact O-CA 3.43Å; P525-A575 PolarHBondContact O-N 3.38Å; K571-A575 PolarHBondContact O-N 2.93Å; N572-A575 PolarHBondContact O-N 2.99Å; C573-A575 VanDerWaalsContact C-N 3.35Å; A575-H577 PolarHBondContact O-CD2 2.71Å; A575-H577 PolarHBondContact O-NE2 3Å |
| 576 | N | 80 | Confident | 72.2 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9.5 | -179.5 | -68.9 | -20 | 0 | 0 | 0 | 113.9 | N572 C573 L574 N578 | N572-N576 PolarHBondContact O-N 3.35Å; N572-N576 PolarHBondContact O-ND2 2.85Å; C573-N576 PolarHBondContact O-N 3.48Å; L574-N576 PolarHBondContact O-N 2.97Å; N576-N578 VanDerWaalsContact C-N 3.32Å; N576-N578 PolarHBondContact O-N 2.99Å; N576-N578 VanDerWaalsContact O-N 3.09Å |
| 577 | H | 64.8 | Low | 69.4 | Low | 84 Ų | 84 | 74.1 Ų | 74.1 | 39% | 0.389 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 27.9 | 166.8 | -59.5 | -77.2 | 0 | 0 | 0 | 118.1 | D529 R530 L574 A575 L579 | D529-H577 IonicContact OD2-CE1 3.34Å; D529-H577 PolarHBondContact OD2-CE1 3.2Å; D529-H577 IonicContact OD2-CG 3.39Å; D529-H577 IonicContact OD2-ND1 2.77Å; D529-H577 PolarHBondContact OD2-ND1 2.82Å; R530-H577 PolarHBondContact NH2-O 3.37Å; L574-H577 PolarHBondContact O-N 3.42Å; A575-H577 PolarHBondContact O-CD2 2.71Å; A575-H577 PolarHBondContact O-NE2 3Å; H577-L579 PolarHBondContact O-N 3.43Å |
| 578 | N | 65.5 | Low | 66.2 | Low | 113 Ų | 113 | 77.6 Ų | 77.6 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | trans | -93.3 | 21.7 | -178.5 | -70.2 | -34.4 | 0 | 0 | 0 | 114.7 | I547 N576 | I547-N578 HydrophobicContact CG2-CB 3.81Å; N576-N578 VanDerWaalsContact C-N 3.32Å; N576-N578 PolarHBondContact O-N 2.99Å; N576-N578 VanDerWaalsContact O-N 3.09Å | ||
| 579 | L | 68.8 | Low | 63.2 | Low | 3 Ų | 3 | 84.8 Ų | 84.8 | 2% | 0.016 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 130.8 | -179 | -74.3 | 165.4 | 0 | 0 | 0 | 111.5 | R530 Y532 F534 I547 L574 H577 | R530-L579 WeakPolarHBondContact CD-O 3.28Å; R530-L579 PolarHBondContact NH1-O 3.39Å; Y532-L579 HydrophobicContact CD2-CB 4.41Å; Y532-L579 HydrophobicContact CD2-CD1 4.09Å; Y532-L579 HydrophobicContact CE2-CB 4.21Å; Y532-L579 HydrophobicContact CG-CD1 4.35Å; F534-L579 HydrophobicContact CD2-CD1 4.33Å; F534-L579 HydrophobicContact CE2-CD1 3.66Å; F534-L579 HydrophobicContact CE2-CD2 3.82Å; F534-L579 HydrophobicContact CE2-CG 4.42Å; F534-L579 HydrophobicContact CZ-CD1 4.48Å; F534-L579 HydrophobicContact CZ-CD2 3.83Å; I547-L579 HydrophobicContact CD1-CD2 3.78Å; I547-L579 HydrophobicContact CD1-CG 4.03Å; I547-L579 HydrophobicContact CG1-CD2 4.1Å; L574-L579 HydrophobicContact CD2-CD1 4.1Å; H577-L579 PolarHBondContact O-N 3.43Å |
| 580 | P | 63.6 | Low | 60.2 | Low | 64 Ų | 64 | 90.8 Ų | 90.8 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 145.3 | 173 | -24.9 | 33.3 | 0 | 0 | 0 | 111.9 | Y532 R582 | Y532-P580 WeakPolarHBondContact CE2-O 3.2Å; Y532-P580 PolarHBondContact OH-O 3.15Å; Y532-P580 VanDerWaalsContact OH-O 3.08Å; P580-R582 PolarHBondContact O-N 3.42Å |
| 581 | L | 59 | Low | 57 | Low | 131 Ų | 131 | 92.4 Ų | 92.4 | 69% | 0.686 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 132.1 | 176.7 | -75.6 | 166.1 | 0 | 0 | 0 | 110.7 | R530 G583 | R530-L581 HydrophobicContact CG-CD2 4.35Å; L581-G583 PolarHBondContact O-N 2.94Å |
| 582 | R | 54.5 | Low | 53.7 | Low | 138 Ų | 138 | 96 Ų | 96 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | 100.1 | 172.9 | -172.2 | -179.3 | -177.8 | -172.8 | -1.4 | 108.8 | G531 Y532 P580 | G531-R582 PolarHBondContact O-NH1 3.28Å; Y532-R582 HydrophobicContact CE2-CB 4.31Å; P580-R582 PolarHBondContact O-N 3.42Å |
| 583 | G | 46 | Very low | 50.7 | Low | 76 Ų | 76 | 95.1 Ų | 95.1 | 78% | 0.784 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.9 | -5.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | L581 | L581-G583 PolarHBondContact O-N 2.94Š|
| 584 | I | 37.3 | Very low | 47.6 | Very low | 135 Ų | 135 | 100 Ų | 100 | 69% | 0.692 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -106.1 | 123.8 | 171.8 | -60.2 | 165 | 0 | 0 | 0 | 107.4 | S586 | I584-S586 VanDerWaalsContact C-N 3.3Å; I584-S586 PolarHBondContact O-N 2.74Å |
| 585 | A | 29.3 | Very low | 44.5 | Very low | 107 Ų | 107 | 105.2 Ų | 105.2 | 88% | 0.884 | 64% | 0.638 | S | S | * | * | trans | -62.5 | 88.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 586 | S | 30.4 | Very low | 41.7 | Very low | 99 Ų | 99 | 107.7 Ų | 107.7 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | trans | -94.6 | 140.6 | 169.1 | -65.1 | 0 | 0 | 0 | 0 | 110 | I584 H588 | I584-S586 VanDerWaalsContact C-N 3.3Å; I584-S586 PolarHBondContact O-N 2.74Å; S586-H588 PolarHBondContact O-N 3.49Å | ||
| 587 | P | 31.7 | Very low | 39.2 | Very low | 122 Ų | 122 | 107.8 Ų | 107.8 | 79% | 0.792 | 67% | 0.665 | S | S | * | * | trans | -72.5 | 129.4 | -172.7 | -4.8 | 21.9 | 0 | 0 | 0 | 110.8 | I589 | P587-I589 PolarHBondContact O-N 2.88Å; P587-I589 VanDerWaalsContact O-N 3.14Å | ||
| 588 | H | 25.6 | Very low | 37.6 | Very low | 169 Ų | 169 | 109.1 Ų | 109.1 | 78% | 0.782 | 68% | 0.681 | S | S | * | * | trans | -14.1 | 96.5 | 165.9 | -139.3 | -84.2 | 0 | 0 | 0 | 116.5 | S586 N590 | S586-H588 PolarHBondContact O-N 3.49Å; H588-N590 PolarHBondContact O-N 3.39Å | ||
| 589 | I | 30.8 | Very low | 35.9 | Very low | 158 Ų | 158 | 109.6 Ų | 109.6 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | trans | -81.4 | 98 | 159.7 | -87.7 | 166.3 | 0 | 0 | 0 | 107.4 | P587 | P587-I589 PolarHBondContact O-N 2.88Å; P587-I589 VanDerWaalsContact O-N 3.14Å | ||
| 590 | N | 30.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -176.8 | 122.1 | 139.1 | -93.1 | -8.8 | 0 | 0 | 0 | 106 | H588 | H588-N590 PolarHBondContact O-N 3.39Š|
| 591 | G | 26.7 | Very low | 32.4 | Very low | 73 Ų | 73 | 119.4 Ų | 119.4 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -53.2 | 147.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 592 | V | 24.5 | Very low | 31.1 | Very low | 133 Ų | 133 | 118.8 Ų | 118.8 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 81 | 90.1 | -173.1 | -161.8 | 0 | 0 | 0 | 0 | 113 | ||
| 593 | P | 27.5 | Very low | 29.8 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | trans | -55.1 | 143.4 | 162.9 | -13 | 25.6 | 0 | 0 | 0 | 108.8 | S595 | P593-S595 PolarHBondContact O-N 3.3Š| ||
| 594 | P | 26 | Very low | 29 | Very low | 121 Ų | 121 | 125 Ų | 125 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -57.3 | 110 | 166.7 | 25.1 | -30.1 | 0 | 0 | 0 | 106 | A596 | P594-A596 PolarHBondContact O-N 2.79Š| ||
| 595 | S | 25.5 | Very low | 28.5 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -50.6 | 109.5 | 175.9 | 47.8 | 0 | 0 | 0 | 0 | 107 | P593 | P593-S595 PolarHBondContact O-N 3.3Š| ||
| 596 | A | 27.6 | Very low | 28.5 | Very low | 84 Ų | 84 | 124.3 Ų | 124.3 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 133.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | P594 | P594-A596 PolarHBondContact O-N 2.79Š|
| 597 | P | 27.7 | Very low | 28.4 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 137 | -175.4 | 20.2 | -30.5 | 0 | 0 | 0 | 109.1 | ||
| 598 | P | 30.1 | Very low | 28 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 139.3 | -171.4 | 20.6 | -31.5 | 0 | 0 | 0 | 110.4 | L600 | P598-L600 PolarHBondContact O-N 3.05Š|
| 599 | P | 30 | Very low | 28.1 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 126.5 | 177.3 | 24.1 | -30.8 | 0 | 0 | 0 | 108.9 | ||
| 600 | L | 26.8 | Very low | 27.8 | Very low | 167 Ų | 167 | 132 Ų | 132 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 126.4 | 172.9 | -77 | 158 | 0 | 0 | 0 | 109.1 | P598 | P598-L600 PolarHBondContact O-N 3.05Š|
| 601 | P | 31.8 | Very low | 27.6 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63 | 154.8 | 176.8 | 23.3 | -30.7 | 0 | 0 | 0 | 111 | Q603 | P601-Q603 PolarHBondContact O-N 3.16Š|
| 602 | P | 31.5 | Very low | 27.7 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 134.7 | -171.1 | -8.5 | 22.1 | 0 | 0 | 0 | 110.9 | N604 | P602-N604 PolarHBondContact O-N 3.17Š|
| 603 | Q | 27.9 | Very low | 27.8 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -63.4 | 92.3 | 174.2 | -65.2 | -178.3 | -8.7 | 0 | 0 | 110.4 | P601 | P601-Q603 PolarHBondContact O-N 3.16Š| ||
| 604 | N | 30.1 | Very low | 27.8 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -93.7 | 102.9 | 159.2 | -88.8 | -8.5 | 0 | 0 | 0 | 109 | P602 | P602-N604 PolarHBondContact O-N 3.17Š| ||
| 605 | S | 27 | Very low | 27.9 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -42.9 | 154.2 | 163.9 | 45.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 606 | T | 27.6 | Very low | 28 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | 89.3 | 127.2 | 171.5 | 77.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 607 | V | 29.9 | Very low | 27.9 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | cis | -147.3 | 130.6 | 30.1 | 166.7 | 0 | 0 | 0 | 0 | 109.4 | S609 | V607-S609 PolarHBondContact O-N 3.1Š| ||
| 608 | R | 22.8 | Very low | 27.7 | Very low | 237 Ų | 237 | 145.3 Ų | 145.3 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -49.8 | 119.9 | 162 | -96.2 | 170.8 | 169.1 | 169.7 | -1.8 | 110.2 | ||||
| 609 | S | 27.6 | Very low | 27.6 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -123.8 | 112.3 | 156.1 | -165.9 | 0 | 0 | 0 | 0 | 109.8 | V607 | V607-S609 PolarHBondContact O-N 3.1Š| ||
| 610 | R | 23.8 | Very low | 27.3 | Very low | 227 Ų | 227 | 145.8 Ų | 145.8 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -67.8 | 124.1 | 174.4 | -73.1 | 173.1 | 178.3 | 172.6 | -1.4 | 108.9 | ||||
| 611 | R | 27.5 | Very low | 27.3 | Very low | 241 Ų | 241 | 143.5 Ų | 143.5 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -136.8 | 92.9 | 151.1 | -113.5 | -180 | -178.6 | -176.9 | 0.2 | 110.3 | ||||
| 612 | S | 28.7 | Very low | 27.1 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | 37.6 | 103.7 | 133.4 | -38.9 | 0 | 0 | 0 | 0 | 117.9 | V614 | S612-V614 PolarHBondContact O-N 2.77Š| ||
| 613 | H | 26 | Very low | 26.9 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -46.7 | 126.2 | 156.7 | -74.7 | -95.3 | 0 | 0 | 0 | 111.9 | ||||
| 614 | V | 28.5 | Very low | 26.9 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -117.3 | 101.3 | 154.2 | -172.5 | 0 | 0 | 0 | 0 | 106.5 | S612 M616 | S612-V614 PolarHBondContact O-N 2.77Å; V614-M616 HydrophobicContact CG1-CG 4.36Å; V614-M616 PolarHBondContact O-N 2.77Å | ||
| 615 | T | 26.8 | Very low | 26.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -79.8 | 104 | 177.6 | -37.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 616 | M | 27.6 | Very low | 26.7 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -101.1 | 117.9 | 170 | -76.4 | -68.6 | -89.7 | 0 | 0 | 109.6 | V614 | V614-M616 HydrophobicContact CG1-CG 4.36Å; V614-M616 PolarHBondContact O-N 2.77Å | ||
| 617 | G | 27.2 | Very low | 26.5 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | -27.9 | 126.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | V619 | G617-V619 PolarHBondContact O-N 3.26Š| ||
| 618 | S | 23.5 | Very low | 26.3 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -59.6 | 118.3 | 155.6 | -34.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 619 | V | 26.7 | Very low | 26.5 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | trans | -109.5 | 119.7 | 162.7 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | G617 C621 | G617-V619 PolarHBondContact O-N 3.26Å; V619-C621 PolarHBondContact O-N 3.47Å | ||
| 620 | P | 24.9 | Very low | 26.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -83.5 | 112.5 | 179.2 | 30.1 | -26.8 | 0 | 0 | 0 | 109.6 | ||||
| 621 | C | 25.7 | Very low | 26.6 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -103.5 | 120.4 | 169.2 | -68.5 | 0 | 0 | 0 | 0 | 109.6 | V619 | V619-C621 PolarHBondContact O-N 3.47Š| ||
| 622 | T | 27.5 | Very low | 26.7 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -63.5 | 158.5 | 178.7 | 26.9 | 0 | 0 | 0 | 0 | 113.3 | G624 | T622-G624 PolarHBondContact O-N 2.83Š| ||
| 623 | P | 27.4 | Very low | 26.5 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | trans | -80.2 | 116 | -167.6 | 31.2 | -31.4 | 0 | 0 | 0 | 111.6 | ||||
| 624 | G | 27.9 | Very low | 26.6 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -90.8 | 113.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T622 N626 | T622-G624 PolarHBondContact O-N 2.83Å; G624-N626 PolarHBondContact O-N 3Å; G624-N626 VanDerWaalsContact O-N 3.11Å | ||
| 625 | N | 24.6 | Very low | 26.7 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -54.6 | 106.5 | 163.9 | -93.6 | -16.4 | 0 | 0 | 0 | 109.9 | ||||
| 626 | N | 28 | Very low | 26.8 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | -127.9 | 99.5 | 157.9 | -93.2 | -16.1 | 0 | 0 | 0 | 108.6 | G624 L628 | G624-N626 PolarHBondContact O-N 3Å; G624-N626 VanDerWaalsContact O-N 3.11Å; N626-L628 PolarHBondContact O-N 3.4Å | ||
| 627 | S | 24.4 | Very low | 26.9 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -66.7 | 101.8 | 169.4 | 44.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 628 | L | 25.7 | Very low | 27 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -126.9 | 127 | 152.7 | -96.9 | 89.8 | 0 | 0 | 0 | 108.1 | N626 N630 | N626-L628 PolarHBondContact O-N 3.4Å; L628-N630 PolarHBondContact O-N 3.21Å; L628-N630 VanDerWaalsContact O-N 3.15Å | ||
| 629 | P | 27.2 | Very low | 27.3 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | -74.2 | 105.9 | 175.7 | 28.9 | -27.9 | 0 | 0 | 0 | 108.3 | ||||
| 630 | N | 25.9 | Very low | 27.6 | Very low | 142 Ų | 142 | 116.2 Ų | 116.2 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | -69.5 | 137.7 | 174.1 | -86.5 | -16.3 | 0 | 0 | 0 | 110.3 | L628 E632 | L628-N630 PolarHBondContact O-N 3.21Å; L628-N630 VanDerWaalsContact O-N 3.15Å; N630-E632 PolarHBondContact O-N 2.9Å | ||
| 631 | S | 27 | Very low | 27.9 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | trans | -43.4 | 113.3 | 166.4 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | S633 | S631-S633 PolarHBondContact O-N 3.46Š| ||
| 632 | E | 28.7 | Very low | 28.2 | Very low | 152 Ų | 152 | 115.7 Ų | 115.7 | 71% | 0.71 | 67% | 0.673 | S | S | * | * | trans | -83.9 | 86.6 | 179 | -78.1 | -159.9 | 168.6 | 0 | 0 | 110.5 | N630 F634 | N630-E632 PolarHBondContact O-N 2.9Å; E632-F634 VanDerWaalsContact C-N 3.31Å; E632-F634 HydrophobicContact CB-CD2 4.08Å; E632-F634 HydrophobicContact CG-CD2 4.25Å; E632-F634 PolarHBondContact O-N 3.46Å; E632-F634 VanDerWaalsContact O-N 3.08Å; E632-F634 VanDerWaalsContact OE2-CD2 3.3Å; E632-F634 WeakPolarHBondContact OE2-CD2 3.33Å; E632-F634 WeakPolarHBondContact OE2-CE2 3.4Å | ||
| 633 | S | 26 | Very low | 28.7 | Very low | 120 Ų | 120 | 112.4 Ų | 112.4 | 84% | 0.839 | 65% | 0.65 | S | S | * | * | trans | -72.2 | 89.2 | 158.2 | 64.6 | 0 | 0 | 0 | 0 | 107.9 | S631 | S631-S633 PolarHBondContact O-N 3.46Š| ||
| 634 | F | 27.8 | Very low | 29.3 | Very low | 101 Ų | 101 | 111 Ų | 111 | 44% | 0.443 | 64% | 0.643 | S | S | . | * | trans | -87.8 | 132.4 | -166.7 | -137.8 | -90.4 | 0 | 0 | 0 | 113.9 | E632 | E632-F634 VanDerWaalsContact C-N 3.31Å; E632-F634 HydrophobicContact CB-CD2 4.08Å; E632-F634 HydrophobicContact CG-CD2 4.25Å; E632-F634 PolarHBondContact O-N 3.46Å; E632-F634 VanDerWaalsContact O-N 3.08Å; E632-F634 VanDerWaalsContact OE2-CD2 3.3Å; E632-F634 WeakPolarHBondContact OE2-CD2 3.33Å; E632-F634 WeakPolarHBondContact OE2-CE2 3.4Å | ||
| 635 | D | 29.5 | Very low | 29.9 | Very low | 109 Ų | 109 | 111.1 Ų | 111.1 | 58% | 0.583 | 63% | 0.633 | S | S | * | * | trans | -79.2 | 124.8 | -180 | 173.9 | 21.7 | 0 | 0 | 0 | 111.8 | S637 | D635-S637 PolarHBondContact O-N 3.36Å; D635-S637 PolarHBondContact OD1-N 3.03Å; D635-S637 PolarHBondContact OD2-OG 3.19Å | ||
| 636 | F | 28.8 | Very low | 30.7 | Very low | 132 Ų | 132 | 106 Ų | 106 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -77.7 | 28.8 | -176 | -75.4 | -91.6 | 0 | 0 | 0 | 114 | K540 L639 | K540-F636 PolarHBondContact NZ-O 3.36Å; F636-L639 HydrophobicContact CD1-CD1 4.47Å |
| 637 | S | 29.9 | Very low | 31.2 | Very low | 57 Ų | 57 | 100 Ų | 100 | 40% | 0.399 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -80 | -11.5 | -175.6 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | D635 | D635-S637 PolarHBondContact O-N 3.36Å; D635-S637 PolarHBondContact OD1-N 3.03Å; D635-S637 PolarHBondContact OD2-OG 3.19Å |
| 638 | Q | 30.7 | Very low | 31.9 | Very low | 99 Ų | 99 | 100.5 Ų | 100.5 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -94.8 | 3.2 | -169.9 | -60.8 | -172.6 | 39.5 | 0 | 0 | 116.3 | T640 | Q638-T640 PolarHBondContact O-N 3.43Š|
| 639 | L | 28.1 | Very low | 32.6 | Very low | 65 Ų | 65 | 101.9 Ų | 101.9 | 34% | 0.34 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -81.1 | -9.3 | -173.6 | -74.5 | 173.1 | 0 | 0 | 0 | 115.8 | S415 F636 L643 | S415-L639 VanDerWaalsContact CB-CD2 3.4Å; F636-L639 HydrophobicContact CD1-CD1 4.47Å; L639-L643 WeakPolarHBondContact O-CD1 3.48Å |
| 640 | T | 34.6 | Very low | 32.9 | Very low | 72 Ų | 72 | 97.3 Ų | 97.3 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -100.8 | -30.1 | -164.3 | 43 | 0 | 0 | 0 | 0 | 116.9 | Q638 T642 | Q638-T640 PolarHBondContact O-N 3.43Å; T640-T642 PolarHBondContact O-N 3.33Å |
| 641 | D | 30.2 | Very low | 33.3 | Very low | 144 Ų | 144 | 93.2 Ų | 93.2 | 77% | 0.77 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -2.1 | -148.6 | -73.5 | 5.5 | 0 | 0 | 0 | 117.1 | ||
| 642 | T | 32.4 | Very low | 33.4 | Very low | 86 Ų | 86 | 91.4 Ų | 91.4 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 8.2 | 175.6 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | K411 T640 S644 | K411-T642 PolarHBondContact NZ-OG1 3.23Å; T640-T642 PolarHBondContact O-N 3.33Å; T642-S644 VanDerWaalsContact C-N 3.27Å; T642-S644 PolarHBondContact O-N 3.33Å |
| 643 | L | 38.4 | Very low | 33.4 | Very low | 62 Ų | 62 | 91.7 Ų | 91.7 | 33% | 0.325 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10.7 | -177.1 | -73.5 | 168.7 | 0 | 0 | 0 | 114.8 | L639 S645 N647 | L639-L643 WeakPolarHBondContact O-CD1 3.48Å; L643-S645 PolarHBondContact O-N 2.87Å; L643-N647 WeakPolarHBondContact O-CB 3.45Å; L643-N647 PolarHBondContact O-ND2 2.8Å |
| 644 | S | 39.5 | Very low | 33.6 | Very low | 100 Ų | 100 | 94.6 Ų | 94.6 | 70% | 0.699 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -24.1 | 176.3 | -65.1 | 0 | 0 | 0 | 0 | 113.7 | T642 H648 | T642-S644 VanDerWaalsContact C-N 3.27Å; T642-S644 PolarHBondContact O-N 3.33Å; S644-H648 PolarHBondContact O-N 3.49Å |
| 645 | S | 40.5 | Very low | 33.5 | Very low | 77 Ų | 77 | 96.9 Ų | 96.9 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75.8 | -50.2 | -176.4 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | L643 N647 H648 W649 | L643-S645 PolarHBondContact O-N 2.87Å; S645-N647 PolarHBondContact O-N 3.48Å; S645-H648 WeakPolarHBondContact O-CB 3.35Å; S645-H648 PolarHBondContact O-N 2.95Å; S645-W649 PolarHBondContact O-N 3.12Å; S645-W649 PolarHBondContact O-NE1 3.08Å |
| 646 | V | 40.8 | Very low | 33.4 | Very low | 54 Ų | 54 | 99.6 Ų | 99.6 | 33% | 0.327 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58 | -38.7 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | H648 W649 L650 | V646-H648 VanDerWaalsContact C-N 3.31Å; V646-H648 PolarHBondContact O-N 3.42Å; V646-W649 WeakPolarHBondContact O-CB 3.37Å; V646-W649 PolarHBondContact O-N 3.03Å; V646-W649 VanDerWaalsContact O-N 3.1Å; V646-L650 PolarHBondContact O-N 3.46Å |
| 647 | N | 40 | Very low | 33.2 | Very low | 29 Ų | 29 | 101.3 Ų | 101.3 | 16% | 0.155 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -70.2 | -22.8 | -179.9 | -90 | -4.1 | 0 | 0 | 0 | 114.6 | E535 R563 L643 S645 | E535-N647 PolarHBondContact OE1-ND2 3.48Å; E535-N647 PolarHBondContact OE1-OD1 2.6Å; E535-N647 PolarHBondContact OE2-ND2 3.27Å; R563-N647 PolarHBondContact NH1-O 2.97Å; R563-N647 VanDerWaalsContact NH1-O 3.11Å; R563-N647 PolarHBondContact NH2-O 2.66Å; R563-N647 PolarHBondContact NH2-OD1 3.48Å; L643-N647 WeakPolarHBondContact O-CB 3.45Å; L643-N647 PolarHBondContact O-ND2 2.8Å; S645-N647 PolarHBondContact O-N 3.48Å |
| 648 | H | 38 | Very low | 33.1 | Very low | 125 Ų | 125 | 103.8 Ų | 103.8 | 58% | 0.579 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.7 | -33.3 | 169 | -164.2 | -54.2 | 0 | 0 | 0 | 111.4 | S644 S645 V646 A651 | S644-H648 PolarHBondContact O-N 3.49Å; S645-H648 WeakPolarHBondContact O-CB 3.35Å; S645-H648 PolarHBondContact O-N 2.95Å; V646-H648 VanDerWaalsContact C-N 3.31Å; V646-H648 PolarHBondContact O-N 3.42Å; H648-A651 PolarHBondContact O-N 3.03Å |
| 649 | W | 39.6 | Very low | 32.9 | Very low | 172 Ų | 172 | 106.6 Ų | 106.6 | 65% | 0.652 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74.3 | -32.7 | -178.7 | -60.1 | 111.4 | 0 | 0 | 0 | 113.2 | S645 V646 A651 T652 | S645-W649 PolarHBondContact O-N 3.12Å; S645-W649 PolarHBondContact O-NE1 3.08Å; V646-W649 WeakPolarHBondContact O-CB 3.37Å; V646-W649 PolarHBondContact O-N 3.03Å; V646-W649 VanDerWaalsContact O-N 3.1Å; W649-A651 PolarHBondContact O-N 3.05Å; W649-T652 PolarHBondContact O-OG1 2.87Å; W649-T652 VanDerWaalsContact O-OG1 3.08Å |
| 650 | L | 33.9 | Very low | 32.7 | Very low | 37 Ų | 37 | 108.2 Ų | 108.2 | 19% | 0.194 | 61% | 0.609 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -74.3 | -5.8 | 171.7 | -67.9 | 172.8 | 0 | 0 | 0 | 113.7 | V466 N467 K528 V646 | V466-L650 HydrophobicContact CB-CD2 4.26Å; V466-L650 HydrophobicContact CG1-CD2 4.45Å; N467-L650 HydrophobicContact CB-CD2 4.37Å; K528-L650 PolarHBondContact NZ-O 3.15Å; V646-L650 PolarHBondContact O-N 3.46Å |
| 651 | A | 35.1 | Very low | 32.4 | Very low | 56 Ų | 56 | 111 Ų | 111 | 46% | 0.463 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.2 | -8.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H648 W649 D653 | H648-A651 PolarHBondContact O-N 3.03Å; W649-A651 PolarHBondContact O-N 3.05Å; A651-D653 PolarHBondContact O-N 3.26Å |
| 652 | T | 28.3 | Very low | 32.1 | Very low | 71 Ų | 71 | 112.5 Ų | 112.5 | 44% | 0.436 | 63% | 0.633 | S | S | . | * | trans | -87.3 | 108.7 | 178.9 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | W649 H654 | W649-T652 PolarHBondContact O-OG1 2.87Å; W649-T652 VanDerWaalsContact O-OG1 3.08Å; T652-H654 PolarHBondContact O-N 3.13Å | ||
| 653 | D | 30.1 | Very low | 31.9 | Very low | 158 Ų | 158 | 117.2 Ų | 117.2 | 85% | 0.845 | 65% | 0.649 | S | S | * | * | trans | -59.8 | 121 | 164.2 | -78.4 | -32.8 | 0 | 0 | 0 | 109.4 | A651 N655 | A651-D653 PolarHBondContact O-N 3.26Å; D653-N655 PolarHBondContact O-N 2.83Å | ||
| 654 | H | 29.2 | Very low | 31.2 | Very low | 181 Ų | 181 | 125.7 Ų | 125.7 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -66.7 | 92.6 | 176.7 | -75.3 | -74.3 | 0 | 0 | 0 | 110.9 | T652 | T652-H654 PolarHBondContact O-N 3.13Š|
| 655 | N | 27.2 | Very low | 30.4 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | trans | -141.3 | 68.4 | 161.5 | -106.5 | -11 | 0 | 0 | 0 | 108.9 | D653 | D653-N655 PolarHBondContact O-N 2.83Š| ||
| 656 | N | 25.5 | Very low | 29.7 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 88% | 0.882 | 70% | 0.699 | S | S | * | * | trans | -143.6 | 75.2 | 170.9 | -87.1 | -36.5 | 0 | 0 | 0 | 109.9 | ||||
| 657 | L | 25.4 | Very low | 28.7 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 89% | 0.885 | 73% | 0.728 | S | S | * | * | trans | -142 | 128.9 | 153.6 | -142.6 | 73.4 | 0 | 0 | 0 | 107.9 | ||||
| 658 | S | 28.2 | Very low | 28 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 94.9 | 112 | 172.4 | 78.8 | 0 | 0 | 0 | 0 | 119.1 | ||
| 659 | N | 26.8 | Very low | 27.3 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | 78.4 | 101.5 | 136.7 | -64.3 | -13.4 | 0 | 0 | 0 | 120.5 | T661 | N659-T661 PolarHBondContact O-N 3.23Š| ||
| 660 | A | 23 | Very low | 26.7 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -42.6 | 123 | 145 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 661 | T | 29.5 | Very low | 26.2 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | -168.1 | 120.9 | 132.7 | -60.2 | 0 | 0 | 0 | 0 | 108.2 | N659 Q663 | N659-T661 PolarHBondContact O-N 3.23Å; T661-Q663 PolarHBondContact O-N 3.02Å | ||
| 662 | L | 23.4 | Very low | 25.7 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -61.3 | 111.3 | 175 | -72.1 | 149.2 | 0 | 0 | 0 | 111.7 | ||||
| 663 | Q | 28.2 | Very low | 25.7 | Very low | 185 Ų | 185 | 155.7 Ų | 155.7 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -141.1 | 94.8 | 157.3 | -77.7 | -162.3 | -18.4 | 0 | 0 | 112.8 | T661 | T661-Q663 PolarHBondContact O-N 3.02Š| ||
| 664 | R | 23.8 | Very low | 25.5 | Very low | 239 Ų | 239 | 154.1 Ų | 154.1 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | 5 | 111.3 | 142.4 | -146.9 | 173.1 | -168.6 | 161.7 | 1.7 | 117.8 | ||||
| 665 | N | 22.1 | Very low | 25.3 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 13.7 | 106.3 | 144.9 | -65.9 | -18.8 | 0 | 0 | 0 | 118.4 | ||||
| 666 | R | 25.4 | Very low | 25.3 | Very low | 232 Ų | 232 | 148.6 Ų | 148.6 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | trans | -134.6 | 111.7 | 142.2 | -79.8 | -169.4 | -174.3 | 176 | 2.9 | 110.4 | I668 | R666-I668 PolarHBondContact O-N 3.12Š| ||
| 667 | R | 20 | Very low | 25.4 | Very low | 245 Ų | 245 | 148 Ų | 148 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -63.3 | 102.3 | 170.7 | -174.4 | -174.3 | -84 | 175.2 | -8.5 | 108.2 | ||||
| 668 | I | 25.9 | Very low | 25.6 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 70% | 0.703 | 81% | 0.809 | S | S | * | * | trans | -113.2 | 101.8 | 168.6 | -59.5 | 179.9 | 0 | 0 | 0 | 107.3 | R666 S670 | R666-I668 PolarHBondContact O-N 3.12Å; I668-S670 PolarHBondContact O-N 3Å; I668-S670 VanDerWaalsContact O-N 3.11Å | ||
| 669 | S | 22.5 | Very low | 25.9 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -59.8 | 105.7 | 165.1 | -55.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 670 | S | 27.4 | Very low | 26.5 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -126 | 113.2 | 166.4 | 46.1 | 0 | 0 | 0 | 0 | 107.4 | I668 L672 | I668-S670 PolarHBondContact O-N 3Å; I668-S670 VanDerWaalsContact O-N 3.11Å; S670-L672 PolarHBondContact O-N 3.29Å | ||
| 671 | G | 23.9 | Very low | 27.7 | Very low | 85 Ų | 85 | 143.2 Ų | 143.2 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | -67.2 | 123.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 672 | L | 24.8 | Very low | 29.3 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -112.3 | 129.8 | 160.4 | -165.2 | 69.7 | 0 | 0 | 0 | 107 | S670 T674 | S670-L672 PolarHBondContact O-N 3.29Å; L672-T674 PolarHBondContact O-N 3.02Å | ||
| 673 | P | 26.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -70.1 | 119.4 | -173.4 | 4.9 | 7.1 | 0 | 0 | 0 | 109.3 | S675 | P673-S675 PolarHBondContact O-N 2.9Š| ||
| 674 | T | 26.3 | Very low | 35 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 77% | 0.767 | 72% | 0.721 | S | S | * | * | trans | -63.9 | 119.7 | 168.4 | 48.7 | 0 | 0 | 0 | 0 | 108 | L672 S676 | L672-T674 PolarHBondContact O-N 3.02Å; T674-S676 PolarHBondContact O-N 2.98Å | ||
| 675 | S | 24.9 | Very low | 38.2 | Very low | 112 Ų | 112 | 117.2 Ų | 117.2 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | trans | -62.2 | 92.9 | 164 | 57.5 | 0 | 0 | 0 | 0 | 107.3 | P673 I677 | P673-S675 PolarHBondContact O-N 2.9Å; S675-I677 PolarHBondContact O-N 2.61Å | ||
| 676 | S | 27.4 | Very low | 41.5 | Very low | 102 Ų | 102 | 111.7 Ų | 111.7 | 71% | 0.713 | 65% | 0.648 | S | S | * | * | trans | -70.8 | 96 | 174.8 | 33.9 | 0 | 0 | 0 | 0 | 107.7 | T674 | T674-S676 PolarHBondContact O-N 2.98Š| ||
| 677 | I | 27.6 | Very low | 44.8 | Very low | 151 Ų | 151 | 100.7 Ų | 100.7 | 77% | 0.774 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123.3 | 155.4 | -61.8 | 173.8 | 0 | 0 | 0 | 104.9 | S675 P679 | S675-I677 PolarHBondContact O-N 2.61Å; I677-P679 WeakPolarHBondContact O-CD 3.47Å |
| 678 | P | 30.3 | Very low | 48.2 | Very low | 105 Ų | 105 | 95.8 Ų | 95.8 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.3 | -169.2 | 18.6 | -23.5 | 0 | 0 | 0 | 108.8 | V680 | P678-V680 PolarHBondContact O-N 3.19Š|
| 679 | P | 32.9 | Very low | 51.3 | Low | 106 Ų | 106 | 94.9 Ų | 94.9 | 69% | 0.688 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 129.7 | 171.7 | 23.5 | -30.5 | 0 | 0 | 0 | 107.6 | I677 S681 | I677-P679 WeakPolarHBondContact O-CD 3.47Å; P679-S681 PolarHBondContact O-N 3.29Å |
| 680 | V | 41.2 | Very low | 54.7 | Low | 143 Ų | 143 | 92.4 Ų | 92.4 | 87% | 0.867 | 57% | 0.565 | S | S | * | * | trans | -50.1 | 112.1 | 169.1 | 178.8 | 0 | 0 | 0 | 0 | 105.8 | P678 P682 | P678-V680 PolarHBondContact O-N 3.19Å; V680-P682 WeakPolarHBondContact O-CD 3.49Å | ||
| 681 | S | 48 | Very low | 57.9 | Low | 82 Ų | 82 | 87.7 Ų | 87.7 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 126.5 | -172.2 | -53.3 | 0 | 0 | 0 | 0 | 107.4 | P679 T683 | P679-S681 PolarHBondContact O-N 3.29Å; S681-T683 PolarHBondContact O-N 3.1Å |
| 682 | P | 63.2 | Low | 61.1 | Low | 60 Ų | 60 | 88.4 Ų | 88.4 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -53 | 138.7 | 176.6 | 0.9 | -4.4 | 0 | 0 | 0 | 109.5 | V680 F684 E713 | V680-P682 WeakPolarHBondContact O-CD 3.49Å; P682-F684 HydrophobicContact CB-CD2 4.39Å; P682-F684 HydrophobicContact CB-CE2 3.71Å; P682-F684 HydrophobicContact CB-CZ 3.79Å; P682-F684 HydrophobicContact CG-CE2 3.63Å; P682-F684 HydrophobicContact CG-CZ 3.69Å; P682-F684 WeakPolarHBondContact O-CD2 3.38Å; P682-F684 WeakPolarHBondContact O-CE2 3.23Å; P682-F684 PolarHBondContact O-N 3.08Å; P682-E713 HydrophobicContact CB-CG 3.95Å; P682-E713 WeakPolarHBondContact CB-OE1 3.21Å |
| 683 | T | 81.1 | Confident | 64 | Low | 59 Ų | 59 | 81.5 Ų | 81.5 | 36% | 0.362 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 118.2 | 177.5 | -49.2 | 0 | 0 | 0 | 0 | 107.2 | S681 L714 W717 M742 | S681-T683 PolarHBondContact O-N 3.1Å; T683-L714 HydrophobicContact CG2-CD1 4.11Å; T683-L714 WeakPolarHBondContact O-CB 3.35Å; T683-L714 PolarHBondContact O-N 3.43Å; T683-W717 HydrophobicContact CG2-CZ2 3.92Å; T683-M742 HydrophobicContact CG2-SD 3.97Å |
| 684 | F | 88.6 | Confident | 66.6 | Low | 64 Ų | 64 | 81.7 Ų | 81.7 | 28% | 0.281 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.8 | 179.7 | -66.5 | -81.1 | 0 | 0 | 0 | 111.1 | P682 Q711 V712 E713 V743 | P682-F684 HydrophobicContact CB-CD2 4.39Å; P682-F684 HydrophobicContact CB-CE2 3.71Å; P682-F684 HydrophobicContact CB-CZ 3.79Å; P682-F684 HydrophobicContact CG-CE2 3.63Å; P682-F684 HydrophobicContact CG-CZ 3.69Å; P682-F684 WeakPolarHBondContact O-CD2 3.38Å; P682-F684 WeakPolarHBondContact O-CE2 3.23Å; P682-F684 PolarHBondContact O-N 3.08Å; F684-Q711 HydrophobicContact CB-CG 4.23Å; F684-Q711 HydrophobicContact CD1-CG 3.74Å; F684-Q711 HydrophobicContact CE1-CG 4.45Å; F684-Q711 HydrophobicContact CG-CG 4.23Å; F684-Q711 VanDerWaalsContact CG-NE2 3.3Å; F684-V712 WeakPolarHBondContact CA-O 3.36Å; F684-E713 HydrophobicContact CD1-CB 4.1Å; F684-E713 HydrophobicContact CE1-CB 3.83Å; F684-E713 HydrophobicContact CE1-CG 4.11Å; F684-V743 PolarHBondContact O-N 3.24Å |
| 685 | A | 90.8 | Very high | 69.4 | Low | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 153.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V712 L714 V740 E741 | A685-V712 PolarHBondContact N-O 3.37Å; A685-V712 PolarHBondContact O-N 3.43Å; A685-L714 HydrophobicContact CB-CD1 4.22Å; A685-L714 HydrophobicContact CB-CD2 4.1Å; A685-L714 HydrophobicContact CB-CG 4.24Å; A685-V740 HydrophobicContact CB-CB 3.76Å; A685-V740 HydrophobicContact CB-CG2 3.73Å; A685-E741 CarbonylContact C-O 3Å; A685-E741 VanDerWaalsContact CA-O 3.29Å; A685-E741 WeakPolarHBondContact CA-O 3.42Å |
| 686 | I | 92.9 | Very high | 72.3 | Confident | 43 Ų | 43 | 79.8 Ų | 79.8 | 22% | 0.221 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.9 | 174.5 | -66.2 | 168.7 | 0 | 0 | 0 | 108.3 | R688 D710 V740 E741 V743 | I686-R688 PolarHBondContact O-N 3.38Å; I686-D710 CarbonylContact C-O 3.52Å; I686-D710 WeakPolarHBondContact CA-O 3.43Å; I686-V740 CarbonylContact O-C 3.57Å; I686-V740 VanDerWaalsContact O-CA 3.28Å; I686-V740 WeakPolarHBondContact O-CA 3.5Å; I686-E741 PolarHBondContact N-O 3.29Å; I686-E741 PolarHBondContact O-N 2.96Å; I686-V743 HydrophobicContact CB-CG2 4.43Å; I686-V743 HydrophobicContact CD1-CG2 3.46Å; I686-V743 VanDerWaalsContact CD1-CG2 3.46Å; I686-V743 HydrophobicContact CG1-CG2 3.51Å |
| 687 | A | 93.5 | Very high | 75 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 117 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L706 S707 G709 D710 V740 | A687-L706 HydrophobicContact CB-CB 4.04Å; A687-L706 HydrophobicContact CB-CD1 4.3Å; A687-S707 WeakPolarHBondContact CB-O 3.4Å; A687-G709 PolarHBondContact O-N 3.44Å; A687-D710 HydrophobicContact CB-CB 4.07Å; A687-D710 PolarHBondContact N-O 3.42Å; A687-V740 HydrophobicContact CB-CG1 4.42Å |
| 688 | R | 91.8 | Very high | 77.4 | Confident | 142 Ų | 142 | 70.8 Ų | 70.8 | 54% | 0.536 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -98 | -19.9 | 175 | -65.3 | -57.5 | -166.9 | -164.6 | -1.8 | 112.6 | I686 H739 E741 | I686-R688 PolarHBondContact O-N 3.38Å; R688-H739 PolarHBondContact N-O 3.1Å; R688-E741 HydrophobicContact CG-CB 3.79Å; R688-E741 IonicContact CZ-OE2 2.98Å; R688-E741 IonicContact NE-OE2 2.7Å; R688-E741 PolarHBondContact NE-OE2 3.33Å; R688-E741 IonicContact NH2-OE2 2.8Å; R688-E741 PolarHBondContact NH2-OE2 2.82Å |
| 689 | K | 91.5 | Very high | 79.2 | Confident | 119 Ų | 119 | 70.9 Ų | 70.9 | 52% | 0.517 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -125.9 | 141.8 | 173.2 | -65.6 | 179.3 | -179.6 | 175.2 | 0 | 108.8 | H739 | K689-H739 HydrophobicContact CB-CB 4.33Å; K689-H739 PolarHBondContact N-O 3.27Å; K689-H739 VanDerWaalsContact N-O 3.12Å |
| 690 | A | 93 | Very high | 80.8 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | trans | -68.6 | 143.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | L706 V708 H739 | A690-L706 CarbonylContact C-O 3.54Å; A690-L706 VanDerWaalsContact CA-O 3.25Å; A690-L706 WeakPolarHBondContact CA-O 3.18Å; A690-V708 HydrophobicContact CB-CG2 4.24Å; A690-H739 PolarHBondContact O-CD2 3.45Å | ||
| 691 | Y | 95.3 | Very high | 82.7 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -134.8 | 117.4 | 175.1 | 172.6 | -119.4 | 0 | 0 | 0 | 108 | P695 P703 L704 R705 L706 W723 W734 F735 P736 | Y691-P695 WeakPolarHBondContact CE2-O 3.32Å; Y691-P695 PolarHBondContact OH-O 3.31Å; Y691-P703 HydrophobicContact CE1-CB 4.1Å; Y691-L704 WeakPolarHBondContact CD1-O 3.34Å; Y691-L704 WeakPolarHBondContact CE1-O 3.28Å; Y691-R705 CarbonylContact O-C 3.54Å; Y691-R705 VanDerWaalsContact O-CA 3.26Å; Y691-R705 WeakPolarHBondContact O-CA 3.35Å; Y691-L706 PolarHBondContact N-O 3.44Å; Y691-L706 PolarHBondContact O-N 2.94Å; Y691-W723 HydrophobicContact CE2-CH2 4.42Å; Y691-W723 WeakPolarHBondContact OH-CH2 3.27Å; Y691-W723 WeakPolarHBondContact OH-CZ3 3.35Å; Y691-W734 WeakPolarHBondContact CE1-O 3.49Å; Y691-F735 HydrophobicContact CD1-CB 3.65Å; Y691-F735 HydrophobicContact CE1-CB 3.8Å; Y691-P736 HydrophobicContact CD2-CG 4.19Å; Y691-P736 HydrophobicContact CE2-CG 4.02Å |
| 692 | D | 90.6 | Very high | 84.5 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | trans | -101.9 | 6.3 | -174.9 | 63.2 | -6.8 | 0 | 0 | 0 | 113 | D694 R705 | D692-D694 PolarHBondContact OD1-N 3.22Å; D692-R705 PolarHBondContact O-NE 3.43Å; D692-R705 PolarHBondContact O-NH2 3.46Å | ||
| 693 | G | 86.9 | Confident | 85.9 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 13% | 0.134 | 38% | 0.381 | C | S | . | . | S | Bend | trans | 103.7 | 3.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P695 L696 | G693-P695 CarbonylContact C-O 3.54Å; G693-P695 CarbonylContact O-C 3.52Å; G693-L696 PolarHBondContact O-N 2.86Å |
| 694 | D | 81.8 | Confident | 86.5 | Confident | 123 Ų | 123 | 64 Ų | 64 | 66% | 0.658 | 37% | 0.365 | S | S | * | . | trans | -115.7 | 125.9 | 171.9 | -167.2 | 24.1 | 0 | 0 | 0 | 110.8 | D692 | D692-D694 PolarHBondContact OD1-N 3.22Š| ||
| 695 | P | 85.2 | Confident | 86.7 | Confident | 70 Ų | 70 | 69.4 Ų | 69.4 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | S | Bend | cis | -62.5 | 153.9 | -2.9 | 28.3 | -35.2 | 0 | 0 | 0 | 112.7 | Y691 G693 W723 | Y691-P695 WeakPolarHBondContact CE2-O 3.32Å; Y691-P695 PolarHBondContact OH-O 3.31Å; G693-P695 CarbonylContact C-O 3.54Å; G693-P695 CarbonylContact O-C 3.52Å; P695-W723 HydrophobicContact CB-CZ2 4.43Å; P695-W723 HydrophobicContact CG-CH2 4.19Å; P695-W723 HydrophobicContact CG-CZ2 3.93Å; P695-W723 VanDerWaalsContact O-CH2 3.32Å; P695-W723 WeakPolarHBondContact O-CH2 3.26Å |
| 696 | L | 85 | Confident | 86.9 | Confident | 126 Ų | 126 | 69.7 Ų | 69.7 | 66% | 0.66 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 144.4 | 169.2 | -83.6 | 136 | 0 | 0 | 0 | 110.4 | G693 | G693-L696 PolarHBondContact O-N 2.86Š|
| 697 | P | 84.9 | Confident | 86.9 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.039 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 157.9 | 178.7 | 31.4 | -37.6 | 0 | 0 | 0 | 111.8 | S701 P703 W723 W734 | P697-S701 VanDerWaalsContact CB-OG 3.31Å; P697-S701 WeakPolarHBondContact CB-OG 3.36Å; P697-S701 WeakPolarHBondContact CG-O 3.24Å; P697-S701 WeakPolarHBondContact CG-OG 3.33Å; P697-P703 HydrophobicContact CG-CB 4.32Å; P697-W723 VanDerWaalsContact CA-CH2 3.43Å; P697-W723 HydrophobicContact CB-CD2 4.35Å; P697-W723 HydrophobicContact CB-CE3 3.7Å; P697-W723 HydrophobicContact CB-CH2 3.88Å; P697-W723 HydrophobicContact CB-CZ2 4.5Å; P697-W723 HydrophobicContact CB-CZ3 3.45Å; P697-W723 VanDerWaalsContact CB-CZ3 3.45Å; P697-W723 HydrophobicContact CG-CZ3 4.46Å; P697-W734 HydrophobicContact CB-CB 3.57Å; P697-W734 HydrophobicContact CB-CG 4.38Å; P697-W734 HydrophobicContact CG-CB 4.11Å |
| 698 | P | 77 | Confident | 86.8 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -57 | 152.3 | -179.6 | -22.6 | 32.4 | 0 | 0 | 0 | 112.7 | G700 S701 W723 | P698-G700 PolarHBondContact O-N 3.28Å; P698-G700 VanDerWaalsContact O-N 3.15Å; P698-S701 PolarHBondContact O-N 3.21Å; P698-S701 PolarHBondContact O-OG 2.88Å; P698-W723 HydrophobicContact CG-CD2 4.31Å; P698-W723 HydrophobicContact CG-CG 3.96Å |
| 699 | S | 68.1 | Low | 86.7 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 75% | 0.748 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | 58.8 | 24.6 | 174.3 | -42.1 | 0 | 0 | 0 | 0 | 115 | S701 | S699-S701 PolarHBondContact O-N 3.11Š|
| 700 | G | 67.7 | Low | 86.8 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 71% | 0.711 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | 67.9 | 21.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P698 | P698-G700 PolarHBondContact O-N 3.28Å; P698-G700 VanDerWaalsContact O-N 3.15Å |
| 701 | S | 80.7 | Confident | 86.8 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 22% | 0.217 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 162.5 | 177.2 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | P697 P698 S699 P703 | P697-S701 VanDerWaalsContact CB-OG 3.31Å; P697-S701 WeakPolarHBondContact CB-OG 3.36Å; P697-S701 WeakPolarHBondContact CG-O 3.24Å; P697-S701 WeakPolarHBondContact CG-OG 3.33Å; P698-S701 PolarHBondContact O-N 3.21Å; P698-S701 PolarHBondContact O-OG 2.88Å; S699-S701 PolarHBondContact O-N 3.11Å; S701-P703 WeakPolarHBondContact O-CD 3.1Å |
| 702 | H | 85.7 | Confident | 86.7 | Confident | 155 Ų | 155 | 69.7 Ų | 69.7 | 72% | 0.718 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 124.7 | -177.8 | -69.2 | -57.3 | 0 | 0 | 0 | 111.2 | G733 W734 | H702-G733 CarbonylContact O-C 3.57Å; H702-G733 VanDerWaalsContact O-CA 3.25Å; H702-G733 WeakPolarHBondContact O-CA 3.35Å; H702-W734 PolarHBondContact O-N 3.47Å |
| 703 | P | 91.8 | Very high | 86.8 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 133.4 | 175.6 | 26.6 | -31.6 | 0 | 0 | 0 | 111.3 | Y691 P697 S701 W734 | Y691-P703 HydrophobicContact CE1-CB 4.1Å; P697-P703 HydrophobicContact CG-CB 4.32Å; S701-P703 WeakPolarHBondContact O-CD 3.1Å; P703-W734 WeakPolarHBondContact CA-O 3.49Å |
| 704 | L | 93.5 | Very high | 87 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | trans | -89.1 | 110.5 | 168.7 | -178.2 | 64.7 | 0 | 0 | 0 | 109.1 | Y691 L706 V712 G726 C728 S731 G733 W734 F735 | Y691-L704 WeakPolarHBondContact CD1-O 3.34Å; Y691-L704 WeakPolarHBondContact CE1-O 3.28Å; L704-L706 HydrophobicContact CD2-CD2 3.95Å; L704-L706 HydrophobicContact CG-CD2 3.98Å; L704-V712 HydrophobicContact CD2-CG1 4.06Å; L704-G726 WeakPolarHBondContact CD2-O 3.42Å; L704-C728 HydrophobicContact CD1-CB 4.36Å; L704-C728 HydrophobicContact CD2-CB 4.04Å; L704-C728 HydrophobicContact CG-CB 4.49Å; L704-S731 VanDerWaalsContact CD1-O 3.28Å; L704-S731 WeakPolarHBondContact CD1-O 3.33Å; L704-G733 VanDerWaalsContact CB-C 3.5Å; L704-W734 PolarHBondContact N-O 3.22Å; L704-F735 HydrophobicContact CB-CD1 4.16Å; L704-F735 HydrophobicContact CD2-CD1 3.84Å; L704-F735 HydrophobicContact CD2-CE1 4.02Å | ||
| 705 | R | 92.4 | Very high | 87.2 | Confident | 179 Ų | 179 | 66.9 Ų | 66.9 | 68% | 0.675 | 39% | 0.389 | S | S | * | . | trans | -71 | 133 | 176.5 | -68.7 | -177.7 | 149.5 | -152.6 | -12.6 | 110.6 | Y691 D692 | Y691-R705 CarbonylContact O-C 3.54Å; Y691-R705 VanDerWaalsContact O-CA 3.26Å; Y691-R705 WeakPolarHBondContact O-CA 3.35Å; D692-R705 PolarHBondContact O-NE 3.43Å; D692-R705 PolarHBondContact O-NH2 3.46Å | ||
| 706 | L | 95.3 | Very high | 87.1 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -126.6 | 136.5 | -178.1 | -60.6 | 176.7 | 0 | 0 | 0 | 110.6 | A687 A690 Y691 L704 D710 V712 C728 F735 V740 | A687-L706 HydrophobicContact CB-CB 4.04Å; A687-L706 HydrophobicContact CB-CD1 4.3Å; A690-L706 CarbonylContact C-O 3.54Å; A690-L706 VanDerWaalsContact CA-O 3.25Å; A690-L706 WeakPolarHBondContact CA-O 3.18Å; Y691-L706 PolarHBondContact N-O 3.44Å; Y691-L706 PolarHBondContact O-N 2.94Å; L704-L706 HydrophobicContact CD2-CD2 3.95Å; L704-L706 HydrophobicContact CG-CD2 3.98Å; L706-D710 HydrophobicContact CD2-CB 4.46Å; L706-V712 HydrophobicContact CD1-CG2 4.03Å; L706-V712 HydrophobicContact CD2-CG2 3.44Å; L706-V712 VanDerWaalsContact CD2-CG2 3.44Å; L706-V712 HydrophobicContact CG-CG2 4.39Å; L706-C728 HydrophobicContact CD2-CB 4.03Å; L706-F735 HydrophobicContact CD1-CB 3.86Å; L706-F735 HydrophobicContact CD1-CD1 4.07Å; L706-F735 HydrophobicContact CD1-CD2 3.83Å; L706-F735 HydrophobicContact CD1-CE2 4.44Å; L706-F735 HydrophobicContact CD1-CG 3.62Å; L706-V740 HydrophobicContact CD1-CG1 3.83Å |
| 707 | S | 93.2 | Very high | 87.2 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 51% | 0.51 | 37% | 0.373 | S | S | . | . | trans | -98.6 | 152.8 | 166 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | A687 G709 D710 | A687-S707 WeakPolarHBondContact CB-O 3.4Å; S707-G709 PolarHBondContact O-N 3.47Å; S707-D710 PolarHBondContact N-OD2 2.94Å; S707-D710 VanDerWaalsContact O-CB 3.31Å; S707-D710 WeakPolarHBondContact O-CB 3.36Å; S707-D710 VanDerWaalsContact O-CG 3.23Å; S707-D710 PolarHBondContact O-N 3.05Å; S707-D710 VanDerWaalsContact O-N 3.1Å | ||
| 708 | V | 92.6 | Very high | 86.9 | Confident | 98 Ų | 98 | 71 Ų | 71 | 59% | 0.594 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 123.8 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | A690 | A690-V708 HydrophobicContact CB-CG2 4.24Š|
| 709 | G | 89.1 | Confident | 86.8 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 52% | 0.515 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.7 | -12.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A687 S707 Q711 | A687-G709 PolarHBondContact O-N 3.44Å; S707-G709 PolarHBondContact O-N 3.47Å; G709-Q711 PolarHBondContact O-N 3.43Å |
| 710 | D | 94.2 | Very high | 87.1 | Confident | 35 Ų | 35 | 75 Ų | 75 | 19% | 0.187 | 42% | 0.424 | C | S | . | . | trans | -61.3 | 135.2 | 179.2 | -73 | 2.1 | 0 | 0 | 0 | 111.3 | I686 A687 L706 S707 | I686-D710 CarbonylContact C-O 3.52Å; I686-D710 WeakPolarHBondContact CA-O 3.43Å; A687-D710 HydrophobicContact CB-CB 4.07Å; A687-D710 PolarHBondContact N-O 3.42Å; L706-D710 HydrophobicContact CD2-CB 4.46Å; S707-D710 PolarHBondContact N-OD2 2.94Å; S707-D710 VanDerWaalsContact O-CB 3.31Å; S707-D710 WeakPolarHBondContact O-CB 3.36Å; S707-D710 VanDerWaalsContact O-CG 3.23Å; S707-D710 PolarHBondContact O-N 3.05Å; S707-D710 VanDerWaalsContact O-N 3.1Å | ||
| 711 | Q | 92.3 | Very high | 87.8 | Confident | 115 Ų | 115 | 74.1 Ų | 74.1 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114 | 175.9 | -176.1 | 176.2 | -20.9 | 0 | 0 | 109.2 | F684 G709 | F684-Q711 HydrophobicContact CB-CG 4.23Å; F684-Q711 HydrophobicContact CD1-CG 3.74Å; F684-Q711 HydrophobicContact CE1-CG 4.45Å; F684-Q711 HydrophobicContact CG-CG 4.23Å; F684-Q711 VanDerWaalsContact CG-NE2 3.3Å; G709-Q711 PolarHBondContact O-N 3.43Å |
| 712 | V | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.7 | -176.6 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | F684 A685 L704 L706 Y727 C728 F735 V740 | F684-V712 WeakPolarHBondContact CA-O 3.36Å; A685-V712 PolarHBondContact N-O 3.37Å; A685-V712 PolarHBondContact O-N 3.43Å; L704-V712 HydrophobicContact CD2-CG1 4.06Å; L706-V712 HydrophobicContact CD1-CG2 4.03Å; L706-V712 HydrophobicContact CD2-CG2 3.44Å; L706-V712 VanDerWaalsContact CD2-CG2 3.44Å; L706-V712 HydrophobicContact CG-CG2 4.39Å; V712-Y727 WeakPolarHBondContact CA-O 3.27Å; V712-C728 HydrophobicContact CG2-CB 4.29Å; V712-F735 HydrophobicContact CB-CZ 4.46Å; V712-F735 HydrophobicContact CG1-CE1 3.58Å; V712-F735 HydrophobicContact CG1-CZ 3.73Å; V712-V740 HydrophobicContact CG2-CG1 4.4Å |
| 713 | E | 92.6 | Very high | 88.4 | Confident | 81 Ų | 81 | 70.8 Ų | 70.8 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 117.5 | 168.9 | -174.1 | 174.7 | -178.2 | 0 | 0 | 108.9 | P682 F684 G726 Y727 | P682-E713 HydrophobicContact CB-CG 3.95Å; P682-E713 WeakPolarHBondContact CB-OE1 3.21Å; F684-E713 HydrophobicContact CD1-CB 4.1Å; F684-E713 HydrophobicContact CE1-CB 3.83Å; F684-E713 HydrophobicContact CE1-CG 4.11Å; E713-G726 CarbonylContact O-C 3.56Å; E713-G726 WeakPolarHBondContact O-CA 3.24Å; E713-Y727 PolarHBondContact N-O 3.37Å; E713-Y727 PolarHBondContact O-N 3.09Å |
| 714 | L | 91.3 | Very high | 88.5 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.7 | -177.2 | -59.7 | -179.8 | 0 | 0 | 0 | 110.8 | T683 A685 W717 W724 F735 M742 | T683-L714 HydrophobicContact CG2-CD1 4.11Å; T683-L714 WeakPolarHBondContact O-CB 3.35Å; T683-L714 PolarHBondContact O-N 3.43Å; A685-L714 HydrophobicContact CB-CD1 4.22Å; A685-L714 HydrophobicContact CB-CD2 4.1Å; A685-L714 HydrophobicContact CB-CG 4.24Å; L714-W717 VanDerWaalsContact CB-CD1 3.45Å; L714-W717 HydrophobicContact CB-CG 4.09Å; L714-W717 HydrophobicContact CD1-CB 4.34Å; L714-W717 HydrophobicContact CD1-CD2 4.06Å; L714-W717 HydrophobicContact CD1-CG 3.84Å; L714-W724 HydrophobicContact CD1-CE3 4.12Å; L714-W724 HydrophobicContact CD1-CZ3 4.15Å; L714-W724 HydrophobicContact CD2-CE3 3.89Å; L714-F735 HydrophobicContact CD2-CE2 4.49Å; L714-F735 HydrophobicContact CD2-CZ 3.72Å; L714-M742 HydrophobicContact CD1-CG 4.32Å; L714-M742 HydrophobicContact CD1-SD 3.89Å |
| 715 | I | 85.8 | Confident | 88.5 | Confident | 82 Ų | 82 | 70.7 Ų | 70.7 | 42% | 0.421 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -53.6 | 179.1 | -55.3 | 172.7 | 0 | 0 | 0 | 110.2 | Q725 E732 | I715-Q725 PolarHBondContact N-O 3.24Å; I715-E732 HydrophobicContact CD1-CG 3.77Å |
| 716 | K | 84 | Confident | 88.6 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 114.5 | 175.2 | -64.7 | -175 | -175.7 | 169.8 | 0 | 109.5 | Q725 | K716-Q725 HydrophobicContact CB-CB 3.94Å; K716-Q725 PolarHBondContact N-O 3.15Å; K716-Q725 VanDerWaalsContact N-O 3.15Å; K716-Q725 PolarHBondContact O-N 3.28Å |
| 717 | W | 86.8 | Confident | 88.4 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 34% | 0.337 | 37% | 0.373 | S | S | . | . | trans | -149 | 154.7 | 177.4 | 66.8 | -79.5 | 0 | 0 | 0 | 109.5 | T683 L714 W724 M742 | T683-W717 HydrophobicContact CG2-CZ2 3.92Å; L714-W717 VanDerWaalsContact CB-CD1 3.45Å; L714-W717 HydrophobicContact CB-CG 4.09Å; L714-W717 HydrophobicContact CD1-CB 4.34Å; L714-W717 HydrophobicContact CD1-CD2 4.06Å; L714-W717 HydrophobicContact CD1-CG 3.84Å; W717-W724 HydrophobicContact CB-CB 4.14Å; W717-W724 HydrophobicContact CB-CD2 3.85Å; W717-W724 HydrophobicContact CB-CE3 4.46Å; W717-W724 HydrophobicContact CB-CG 3.67Å; W717-W724 HydrophobicContact CE3-CZ2 4.5Å; W717-M742 HydrophobicContact CD2-SD 4.49Å; W717-M742 HydrophobicContact CE3-SD 4.11Å; W717-M742 HydrophobicContact CH2-CE 3.78Å; W717-M742 HydrophobicContact CH2-SD 3.87Å; W717-M742 HydrophobicContact CZ2-SD 4.25Å; W717-M742 HydrophobicContact CZ3-CE 3.72Å; W717-M742 HydrophobicContact CZ3-SD 3.79Å | ||
| 718 | T | 77.8 | Confident | 88.3 | Confident | 98 Ų | 98 | 63.1 Ų | 63.1 | 60% | 0.601 | 35% | 0.351 | S | S | * | . | trans | -148.7 | 138.3 | 174.8 | -51.5 | 0 | 0 | 0 | 0 | 107.6 | G720 S721 W724 | T718-G720 PolarHBondContact O-N 3.2Å; T718-S721 WeakPolarHBondContact O-CB 3.35Å; T718-S721 PolarHBondContact O-N 3.31Å; T718-W724 PolarHBondContact O-NE1 3.12Å | ||
| 719 | E | 74.9 | Confident | 87.9 | Confident | 168 Ų | 168 | 65.3 Ų | 65.3 | 79% | 0.785 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 125.7 | 177.3 | -137.4 | 165.5 | -157.2 | 0 | 0 | 109.4 | ||
| 720 | G | 74.9 | Confident | 87.5 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 86% | 0.856 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -13 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | T718 | T718-G720 PolarHBondContact O-N 3.2Š|
| 721 | S | 83.1 | Confident | 87.1 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | trans | -69.4 | 136.6 | 170.3 | -177 | 0 | 0 | 0 | 0 | 110.6 | T718 W723 W724 A737 | T718-S721 WeakPolarHBondContact O-CB 3.35Å; T718-S721 PolarHBondContact O-N 3.31Å; S721-W723 VanDerWaalsContact C-N 3.3Å; S721-W723 PolarHBondContact OG-N 2.89Å; S721-W723 PolarHBondContact OG-O 3.46Å; S721-W724 PolarHBondContact O-NE1 3.07Å; S721-A737 VanDerWaalsContact O-CB 3.25Å; S721-A737 WeakPolarHBondContact O-CB 3.06Å | ||
| 722 | S | 87.5 | Confident | 87 | Confident | 83 Ų | 83 | 66.8 Ų | 66.8 | 58% | 0.58 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -77.4 | -15.7 | 175.4 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | P736 A737 | S722-P736 CarbonylContact O-C 3.36Å; S722-P736 VanDerWaalsContact O-CA 3.31Å; S722-P736 WeakPolarHBondContact O-CA 3.45Å; S722-A737 PolarHBondContact O-N 2.92Å |
| 723 | W | 91.1 | Very high | 87 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 13% | 0.129 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.9 | -177.7 | -74.4 | 92.6 | 0 | 0 | 0 | 111.3 | Y691 P695 P697 P698 S721 W734 P736 | Y691-W723 HydrophobicContact CE2-CH2 4.42Å; Y691-W723 WeakPolarHBondContact OH-CH2 3.27Å; Y691-W723 WeakPolarHBondContact OH-CZ3 3.35Å; P695-W723 HydrophobicContact CB-CZ2 4.43Å; P695-W723 HydrophobicContact CG-CH2 4.19Å; P695-W723 HydrophobicContact CG-CZ2 3.93Å; P695-W723 VanDerWaalsContact O-CH2 3.32Å; P695-W723 WeakPolarHBondContact O-CH2 3.26Å; P697-W723 VanDerWaalsContact CA-CH2 3.43Å; P697-W723 HydrophobicContact CB-CD2 4.35Å; P697-W723 HydrophobicContact CB-CE3 3.7Å; P697-W723 HydrophobicContact CB-CH2 3.88Å; P697-W723 HydrophobicContact CB-CZ2 4.5Å; P697-W723 HydrophobicContact CB-CZ3 3.45Å; P697-W723 VanDerWaalsContact CB-CZ3 3.45Å; P697-W723 HydrophobicContact CG-CZ3 4.46Å; P698-W723 HydrophobicContact CG-CD2 4.31Å; P698-W723 HydrophobicContact CG-CG 3.96Å; S721-W723 VanDerWaalsContact C-N 3.3Å; S721-W723 PolarHBondContact OG-N 2.89Å; S721-W723 PolarHBondContact OG-O 3.46Å; W723-W734 HydrophobicContact CB-CE3 4Å; W723-W734 HydrophobicContact CB-CZ3 4.29Å; W723-W734 HydrophobicContact CE3-CB 4.22Å; W723-P736 HydrophobicContact CE3-CG 4.3Å; W723-P736 HydrophobicContact CH2-CG 3.65Å; W723-P736 HydrophobicContact CZ2-CG 4.06Å; W723-P736 HydrophobicContact CZ3-CG 3.78Å |
| 724 | W | 93.7 | Very high | 87.1 | Confident | 26 Ų | 26 | 66 Ų | 66 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 153.6 | 176.1 | -63 | -15.1 | 0 | 0 | 0 | 110.5 | L714 W717 T718 S721 W734 F735 A737 V740 M742 | L714-W724 HydrophobicContact CD1-CE3 4.12Å; L714-W724 HydrophobicContact CD1-CZ3 4.15Å; L714-W724 HydrophobicContact CD2-CE3 3.89Å; W717-W724 HydrophobicContact CB-CB 4.14Å; W717-W724 HydrophobicContact CB-CD2 3.85Å; W717-W724 HydrophobicContact CB-CE3 4.46Å; W717-W724 HydrophobicContact CB-CG 3.67Å; W717-W724 HydrophobicContact CE3-CZ2 4.5Å; T718-W724 PolarHBondContact O-NE1 3.12Å; S721-W724 PolarHBondContact O-NE1 3.07Å; W724-W734 VanDerWaalsContact C-CE3 3.45Å; W724-W734 WeakPolarHBondContact O-CA 3.47Å; W724-F735 HydrophobicContact CB-CE2 4.01Å; W724-F735 HydrophobicContact CB-CZ 4Å; W724-F735 HydrophobicContact CE3-CE2 4.3Å; W724-F735 PolarHBondContact N-O 3.25Å; W724-F735 PolarHBondContact O-N 3.21Å; W724-A737 HydrophobicContact CD2-CB 3.68Å; W724-A737 VanDerWaalsContact CE2-CB 3.45Å; W724-A737 HydrophobicContact CE3-CB 4.28Å; W724-A737 HydrophobicContact CG-CB 3.98Å; W724-A737 HydrophobicContact CH2-CB 4.44Å; W724-A737 HydrophobicContact CZ2-CB 3.87Å; W724-V740 HydrophobicContact CE3-CG2 3.59Å; W724-V740 HydrophobicContact CZ3-CG2 3.49Å; W724-V740 VanDerWaalsContact CZ3-CG2 3.49Å; W724-M742 HydrophobicContact CH2-CG 3.94Å; W724-M742 HydrophobicContact CH2-SD 4.42Å; W724-M742 HydrophobicContact CZ3-CG 3.95Å |
| 725 | Q | 93.2 | Very high | 87.3 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134 | 174 | -162.9 | -174.9 | 9.9 | 0 | 0 | 109.5 | I715 K716 E732 G733 W734 | I715-Q725 PolarHBondContact N-O 3.24Å; K716-Q725 HydrophobicContact CB-CB 3.94Å; K716-Q725 PolarHBondContact N-O 3.15Å; K716-Q725 VanDerWaalsContact N-O 3.15Å; K716-Q725 PolarHBondContact O-N 3.28Å; Q725-E732 PolarHBondContact NE2-OE1 2.84Å; Q725-G733 WeakPolarHBondContact CA-O 3.49Å; Q725-W734 HydrophobicContact CB-CD2 3.86Å; Q725-W734 HydrophobicContact CB-CE3 4.08Å; Q725-W734 HydrophobicContact CB-CG 4.42Å; Q725-W734 HydrophobicContact CB-CH2 4.18Å; Q725-W734 HydrophobicContact CB-CZ2 3.94Å; Q725-W734 HydrophobicContact CB-CZ3 4.24Å; Q725-W734 HydrophobicContact CG-CD2 4.19Å; Q725-W734 HydrophobicContact CG-CG 4.34Å; Q725-W734 HydrophobicContact CG-CZ2 4.35Å |
| 726 | G | 93.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -179.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L704 E713 E732 G733 | L704-G726 WeakPolarHBondContact CD2-O 3.42Å; E713-G726 CarbonylContact O-C 3.56Å; E713-G726 WeakPolarHBondContact O-CA 3.24Å; G726-E732 WeakPolarHBondContact O-CA 3.34Å; G726-G733 PolarHBondContact N-O 3.12Å; G726-G733 PolarHBondContact O-N 2.87Å; G726-G733 VanDerWaalsContact O-N 3.11Å |
| 727 | Y | 91.5 | Very high | 87.9 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 35% | 0.353 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.1 | 177.6 | -171.9 | -98.2 | 0 | 0 | 0 | 110.1 | V712 E713 G730 S731 E732 | V712-Y727 WeakPolarHBondContact CA-O 3.27Å; E713-Y727 PolarHBondContact N-O 3.37Å; E713-Y727 PolarHBondContact O-N 3.09Å; Y727-G730 VanDerWaalsContact OH-CA 3.22Å; Y727-G730 WeakPolarHBondContact OH-CA 3.01Å; Y727-S731 WeakPolarHBondContact CA-O 3.4Å; Y727-S731 WeakPolarHBondContact CD2-O 3.46Å; Y727-E732 HydrophobicContact CD2-CB 4.14Å |
| 728 | C | 91.7 | Very high | 88.1 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 133.8 | 176.2 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | L704 L706 V712 G730 S731 | L704-C728 HydrophobicContact CD1-CB 4.36Å; L704-C728 HydrophobicContact CD2-CB 4.04Å; L704-C728 HydrophobicContact CG-CB 4.49Å; L706-C728 HydrophobicContact CD2-CB 4.03Å; V712-C728 HydrophobicContact CG2-CB 4.29Å; C728-G730 VanDerWaalsContact C-N 3.33Å; C728-G730 PolarHBondContact O-N 3.17Å; C728-G730 VanDerWaalsContact O-N 3.14Å; C728-S731 PolarHBondContact N-O 3.09Å; C728-S731 PolarHBondContact O-N 3.45Å |
| 729 | D | 84.1 | Confident | 88.8 | Confident | 145 Ų | 145 | 55.4 Ų | 55.4 | 78% | 0.775 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 49.7 | 173.9 | -72.5 | -10.1 | 0 | 0 | 0 | 115.4 | S731 | D729-S731 VanDerWaalsContact C-N 3.29Å; D729-S731 PolarHBondContact O-N 2.84Å |
| 730 | G | 81.1 | Confident | 89.7 | Confident | 53 Ų | 53 | 48 Ų | 48 | 55% | 0.546 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y727 C728 | Y727-G730 VanDerWaalsContact OH-CA 3.22Å; Y727-G730 WeakPolarHBondContact OH-CA 3.01Å; C728-G730 VanDerWaalsContact C-N 3.33Å; C728-G730 PolarHBondContact O-N 3.17Å; C728-G730 VanDerWaalsContact O-N 3.14Å |
| 731 | S | 85.4 | Confident | 90.4 | Very high | 70 Ų | 70 | 49 Ų | 49 | 49% | 0.49 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140 | -173.1 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | L704 Y727 C728 D729 | L704-S731 VanDerWaalsContact CD1-O 3.28Å; L704-S731 WeakPolarHBondContact CD1-O 3.33Å; Y727-S731 WeakPolarHBondContact CA-O 3.4Å; Y727-S731 WeakPolarHBondContact CD2-O 3.46Å; C728-S731 PolarHBondContact N-O 3.09Å; C728-S731 PolarHBondContact O-N 3.45Å; D729-S731 VanDerWaalsContact C-N 3.29Å; D729-S731 PolarHBondContact O-N 2.84Å |
| 732 | E | 90.1 | Very high | 90.4 | Very high | 107 Ų | 107 | 49.3 Ų | 49.3 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.9 | 172.4 | -177.2 | -178.6 | 165.3 | 0 | 0 | 109.5 | I715 Q725 G726 Y727 | I715-E732 HydrophobicContact CD1-CG 3.77Å; Q725-E732 PolarHBondContact NE2-OE1 2.84Å; G726-E732 WeakPolarHBondContact O-CA 3.34Å; Y727-E732 HydrophobicContact CD2-CB 4.14Å |
| 733 | G | 92.2 | Very high | 90 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | -172.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | H702 L704 Q725 G726 | H702-G733 CarbonylContact O-C 3.57Å; H702-G733 VanDerWaalsContact O-CA 3.25Å; H702-G733 WeakPolarHBondContact O-CA 3.35Å; L704-G733 VanDerWaalsContact CB-C 3.5Å; Q725-G733 WeakPolarHBondContact CA-O 3.49Å; G726-G733 PolarHBondContact N-O 3.12Å; G726-G733 PolarHBondContact O-N 2.87Å; G726-G733 VanDerWaalsContact O-N 3.11Å |
| 734 | W | 95.6 | Very high | 88.5 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 24% | 0.242 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 142.7 | -177 | -69.7 | 82.4 | 0 | 0 | 0 | 112.1 | Y691 P697 H702 P703 L704 W723 W724 Q725 | Y691-W734 WeakPolarHBondContact CE1-O 3.49Å; P697-W734 HydrophobicContact CB-CB 3.57Å; P697-W734 HydrophobicContact CB-CG 4.38Å; P697-W734 HydrophobicContact CG-CB 4.11Å; H702-W734 PolarHBondContact O-N 3.47Å; P703-W734 WeakPolarHBondContact CA-O 3.49Å; L704-W734 PolarHBondContact N-O 3.22Å; W723-W734 HydrophobicContact CB-CE3 4Å; W723-W734 HydrophobicContact CB-CZ3 4.29Å; W723-W734 HydrophobicContact CE3-CB 4.22Å; W724-W734 VanDerWaalsContact C-CE3 3.45Å; W724-W734 WeakPolarHBondContact O-CA 3.47Å; Q725-W734 HydrophobicContact CB-CD2 3.86Å; Q725-W734 HydrophobicContact CB-CE3 4.08Å; Q725-W734 HydrophobicContact CB-CG 4.42Å; Q725-W734 HydrophobicContact CB-CH2 4.18Å; Q725-W734 HydrophobicContact CB-CZ2 3.94Å; Q725-W734 HydrophobicContact CB-CZ3 4.24Å; Q725-W734 HydrophobicContact CG-CD2 4.19Å; Q725-W734 HydrophobicContact CG-CG 4.34Å; Q725-W734 HydrophobicContact CG-CZ2 4.35Å |
| 735 | F | 94.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 155.8 | 175.7 | 56.6 | -88.2 | 0 | 0 | 0 | 110.2 | Y691 L704 L706 V712 L714 W724 A737 V740 | Y691-F735 HydrophobicContact CD1-CB 3.65Å; Y691-F735 HydrophobicContact CE1-CB 3.8Å; L704-F735 HydrophobicContact CB-CD1 4.16Å; L704-F735 HydrophobicContact CD2-CD1 3.84Å; L704-F735 HydrophobicContact CD2-CE1 4.02Å; L706-F735 HydrophobicContact CD1-CB 3.86Å; L706-F735 HydrophobicContact CD1-CD1 4.07Å; L706-F735 HydrophobicContact CD1-CD2 3.83Å; L706-F735 HydrophobicContact CD1-CE2 4.44Å; L706-F735 HydrophobicContact CD1-CG 3.62Å; V712-F735 HydrophobicContact CB-CZ 4.46Å; V712-F735 HydrophobicContact CG1-CE1 3.58Å; V712-F735 HydrophobicContact CG1-CZ 3.73Å; L714-F735 HydrophobicContact CD2-CE2 4.49Å; L714-F735 HydrophobicContact CD2-CZ 3.72Å; W724-F735 HydrophobicContact CB-CE2 4.01Å; W724-F735 HydrophobicContact CB-CZ 4Å; W724-F735 HydrophobicContact CE3-CE2 4.3Å; W724-F735 PolarHBondContact N-O 3.25Å; W724-F735 PolarHBondContact O-N 3.21Å; F735-A737 PolarHBondContact O-N 3.34Å; F735-V740 HydrophobicContact CD2-CG1 3.76Å; F735-V740 HydrophobicContact CD2-CG2 4.37Å; F735-V740 HydrophobicContact CE2-CB 4.17Å; F735-V740 HydrophobicContact CE2-CG1 3.44Å; F735-V740 VanDerWaalsContact CE2-CG1 3.44Å; F735-V740 HydrophobicContact CE2-CG2 3.59Å; F735-V740 HydrophobicContact CZ-CG1 4.23Å; F735-V740 HydrophobicContact CZ-CG2 4.47Å |
| 736 | P | 94.3 | Very high | 83.5 | Confident | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133.3 | 179.4 | -15 | 28.3 | 0 | 0 | 0 | 110.9 | Y691 S722 W723 N738 H739 | Y691-P736 HydrophobicContact CD2-CG 4.19Å; Y691-P736 HydrophobicContact CE2-CG 4.02Å; S722-P736 CarbonylContact O-C 3.36Å; S722-P736 VanDerWaalsContact O-CA 3.31Å; S722-P736 WeakPolarHBondContact O-CA 3.45Å; W723-P736 HydrophobicContact CE3-CG 4.3Å; W723-P736 HydrophobicContact CH2-CG 3.65Å; W723-P736 HydrophobicContact CZ2-CG 4.06Å; W723-P736 HydrophobicContact CZ3-CG 3.78Å; P736-N738 WeakPolarHBondContact CB-OD1 3.35Å; P736-N738 PolarHBondContact O-N 3.48Å; P736-N738 VanDerWaalsContact O-N 3.09Å; P736-H739 WeakPolarHBondContact CB-ND1 3.46Å; P736-H739 WeakPolarHBondContact O-CB 3.4Å; P736-H739 PolarHBondContact O-N 2.88Å |
| 737 | A | 89.5 | Confident | 80.5 | Confident | 13 Ų | 13 | 72 Ų | 72 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -56.4 | -31.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | S721 S722 W724 F735 H739 V740 | S721-A737 VanDerWaalsContact O-CB 3.25Å; S721-A737 WeakPolarHBondContact O-CB 3.06Å; S722-A737 PolarHBondContact O-N 2.92Å; W724-A737 HydrophobicContact CD2-CB 3.68Å; W724-A737 VanDerWaalsContact CE2-CB 3.45Å; W724-A737 HydrophobicContact CE3-CB 4.28Å; W724-A737 HydrophobicContact CG-CB 3.98Å; W724-A737 HydrophobicContact CH2-CB 4.44Å; W724-A737 HydrophobicContact CZ2-CB 3.87Å; F735-A737 PolarHBondContact O-N 3.34Å; A737-H739 PolarHBondContact O-N 2.78Å; A737-V740 WeakPolarHBondContact O-CG2 3.04Å; A737-V740 PolarHBondContact O-N 3.48Å |
| 738 | N | 91.5 | Very high | 77.6 | Confident | 110 Ų | 110 | 73.4 Ų | 73.4 | 59% | 0.588 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -73.8 | -2.6 | 179.1 | 69.6 | -10.6 | 0 | 0 | 0 | 114.9 | P736 | P736-N738 WeakPolarHBondContact CB-OD1 3.35Å; P736-N738 PolarHBondContact O-N 3.48Å; P736-N738 VanDerWaalsContact O-N 3.09Å |
| 739 | H | 91.5 | Very high | 74.5 | Confident | 29 Ų | 29 | 80.6 Ų | 80.6 | 13% | 0.134 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -88.7 | -17.9 | 174.7 | -74 | 61.4 | 0 | 0 | 0 | 112.8 | R688 K689 A690 P736 A737 | R688-H739 PolarHBondContact N-O 3.1Å; K689-H739 HydrophobicContact CB-CB 4.33Å; K689-H739 PolarHBondContact N-O 3.27Å; K689-H739 VanDerWaalsContact N-O 3.12Å; A690-H739 PolarHBondContact O-CD2 3.45Å; P736-H739 WeakPolarHBondContact CB-ND1 3.46Å; P736-H739 WeakPolarHBondContact O-CB 3.4Å; P736-H739 PolarHBondContact O-N 2.88Å; A737-H739 PolarHBondContact O-N 2.78Å |
| 740 | V | 93.4 | Very high | 71.6 | Confident | 13 Ų | 13 | 83.8 Ų | 83.8 | 8% | 0.079 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 158.2 | -179.6 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | A685 I686 A687 L706 V712 W724 F735 A737 | A685-V740 HydrophobicContact CB-CB 3.76Å; A685-V740 HydrophobicContact CB-CG2 3.73Å; I686-V740 CarbonylContact O-C 3.57Å; I686-V740 VanDerWaalsContact O-CA 3.28Å; I686-V740 WeakPolarHBondContact O-CA 3.5Å; A687-V740 HydrophobicContact CB-CG1 4.42Å; L706-V740 HydrophobicContact CD1-CG1 3.83Å; V712-V740 HydrophobicContact CG2-CG1 4.4Å; W724-V740 HydrophobicContact CE3-CG2 3.59Å; W724-V740 HydrophobicContact CZ3-CG2 3.49Å; W724-V740 VanDerWaalsContact CZ3-CG2 3.49Å; F735-V740 HydrophobicContact CD2-CG1 3.76Å; F735-V740 HydrophobicContact CD2-CG2 4.37Å; F735-V740 HydrophobicContact CE2-CB 4.17Å; F735-V740 HydrophobicContact CE2-CG1 3.44Å; F735-V740 VanDerWaalsContact CE2-CG1 3.44Å; F735-V740 HydrophobicContact CE2-CG2 3.59Å; F735-V740 HydrophobicContact CZ-CG1 4.23Å; F735-V740 HydrophobicContact CZ-CG2 4.47Å; A737-V740 WeakPolarHBondContact O-CG2 3.04Å; A737-V740 PolarHBondContact O-N 3.48Å |
| 741 | E | 89.7 | Confident | 69 | Low | 103 Ų | 103 | 88.8 Ų | 88.8 | 48% | 0.481 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.9 | 171.4 | -175.4 | -176.5 | -163.5 | 0 | 0 | 108.1 | A685 I686 R688 V743 | A685-E741 CarbonylContact C-O 3Å; A685-E741 VanDerWaalsContact CA-O 3.29Å; A685-E741 WeakPolarHBondContact CA-O 3.42Å; I686-E741 PolarHBondContact N-O 3.29Å; I686-E741 PolarHBondContact O-N 2.96Å; R688-E741 HydrophobicContact CG-CB 3.79Å; R688-E741 IonicContact CZ-OE2 2.98Å; R688-E741 IonicContact NE-OE2 2.7Å; R688-E741 PolarHBondContact NE-OE2 3.33Å; R688-E741 IonicContact NH2-OE2 2.8Å; R688-E741 PolarHBondContact NH2-OE2 2.82Å; E741-V743 PolarHBondContact O-N 3.43Å |
| 742 | M | 84.4 | Confident | 66.1 | Low | 57 Ų | 57 | 88.4 Ų | 88.4 | 28% | 0.281 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 134.4 | 178.3 | -69.8 | -143.7 | -62.4 | 0 | 0 | 110.8 | T683 L714 W717 W724 L744 | T683-M742 HydrophobicContact CG2-SD 3.97Å; L714-M742 HydrophobicContact CD1-CG 4.32Å; L714-M742 HydrophobicContact CD1-SD 3.89Å; W717-M742 HydrophobicContact CD2-SD 4.49Å; W717-M742 HydrophobicContact CE3-SD 4.11Å; W717-M742 HydrophobicContact CH2-CE 3.78Å; W717-M742 HydrophobicContact CH2-SD 3.87Å; W717-M742 HydrophobicContact CZ2-SD 4.25Å; W717-M742 HydrophobicContact CZ3-CE 3.72Å; W717-M742 HydrophobicContact CZ3-SD 3.79Å; W724-M742 HydrophobicContact CH2-CG 3.94Å; W724-M742 HydrophobicContact CH2-SD 4.42Å; W724-M742 HydrophobicContact CZ3-CG 3.95Å; M742-L744 PolarHBondContact O-N 2.87Å |
| 743 | V | 79 | Confident | 62.8 | Low | 71 Ų | 71 | 90.2 Ų | 90.2 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | trans | -80.8 | 92.8 | 175 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | F684 I686 E741 N745 | F684-V743 PolarHBondContact O-N 3.24Å; I686-V743 HydrophobicContact CB-CG2 4.43Å; I686-V743 HydrophobicContact CD1-CG2 3.46Å; I686-V743 VanDerWaalsContact CD1-CG2 3.46Å; I686-V743 HydrophobicContact CG1-CG2 3.51Å; E741-V743 PolarHBondContact O-N 3.43Å; V743-N745 PolarHBondContact O-N 3.43Å | ||
| 744 | L | 59.6 | Low | 59.5 | Low | 132 Ų | 132 | 95.4 Ų | 95.4 | 69% | 0.691 | 52% | 0.517 | S | S | * | . | trans | -67.4 | 117.2 | 173 | -145.6 | 79.7 | 0 | 0 | 0 | 108.7 | M742 N746 | M742-L744 PolarHBondContact O-N 2.87Å; L744-N746 PolarHBondContact O-N 2.93Å | ||
| 745 | N | 46.4 | Very low | 55.9 | Low | 121 Ų | 121 | 100.3 Ų | 100.3 | 65% | 0.647 | 55% | 0.548 | S | S | * | . | trans | -72.9 | 76.6 | -173.2 | -137.6 | 3.6 | 0 | 0 | 0 | 110.1 | V743 K747 | V743-N745 PolarHBondContact O-N 3.43Å; N745-K747 PolarHBondContact O-N 2.92Å | ||
| 746 | N | 35 | Very low | 52.6 | Low | 128 Ų | 128 | 105.1 Ų | 105.1 | 68% | 0.684 | 59% | 0.588 | S | S | * | * | trans | -75 | 66.3 | 178.2 | -75.7 | -8.4 | 0 | 0 | 0 | 110.9 | L744 T748 | L744-N746 PolarHBondContact O-N 2.93Å; N746-T748 PolarHBondContact O-N 3.05Å | ||
| 747 | K | 30.9 | Very low | 49 | Very low | 188 Ų | 188 | 110 Ų | 110 | 82% | 0.817 | 62% | 0.618 | S | S | * | * | trans | -87.3 | 66.1 | 159.7 | -76.8 | -174.9 | 178.3 | 176.2 | 0 | 109.2 | N745 | N745-K747 PolarHBondContact O-N 2.92Š| ||
| 748 | T | 28.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 74% | 0.742 | 65% | 0.652 | S | S | * | * | trans | -113.8 | 106.2 | 159.1 | 48.7 | 0 | 0 | 0 | 0 | 107.5 | N746 K750 | N746-T748 PolarHBondContact O-N 3.05Å; T748-K750 PolarHBondContact O-N 3.43Å; T748-K750 VanDerWaalsContact O-N 3.13Å | ||
| 749 | N | 27.8 | Very low | 42.5 | Very low | 158 Ų | 158 | 119.6 Ų | 119.6 | 85% | 0.845 | 66% | 0.664 | S | S | * | * | trans | -52.5 | 118.8 | 173.6 | -90.5 | -24 | 0 | 0 | 0 | 109.3 | I751 | N749-I751 PolarHBondContact O-N 3.4Š| ||
| 750 | K | 22.8 | Very low | 39.1 | Very low | 212 Ų | 212 | 125.6 Ų | 125.6 | 92% | 0.922 | 70% | 0.697 | S | S | * | * | trans | -53.4 | 107.6 | 164 | -70.8 | 174.6 | 174.7 | 176.6 | 0 | 108.7 | T748 | T748-K750 PolarHBondContact O-N 3.43Å; T748-K750 VanDerWaalsContact O-N 3.13Å | ||
| 751 | I | 27.3 | Very low | 35.8 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | trans | -121.1 | 131.8 | 158.9 | -64.5 | 179.6 | 0 | 0 | 0 | 106.9 | N749 | N749-I751 PolarHBondContact O-N 3.4Š| ||
| 752 | G | 24.3 | Very low | 32.7 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -53.8 | 141.9 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S754 | G752-S754 PolarHBondContact O-N 3.04Š| ||
| 753 | T | 19.7 | Very low | 29.8 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -37.8 | 120.7 | 150.2 | 47.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 754 | S | 23.9 | Very low | 27.3 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -149.2 | 122.4 | 147 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | G752 A756 | G752-S754 PolarHBondContact O-N 3.04Å; S754-A756 PolarHBondContact O-N 2.87Å | ||
| 755 | N | 19.6 | Very low | 25.6 | Very low | 167 Ų | 167 | 139 Ų | 139 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -67.4 | 118.7 | 176 | -69.1 | -31.2 | 0 | 0 | 0 | 109.2 | ||||
| 756 | A | 24.4 | Very low | 24.4 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -125.7 | 94.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | S754 | S754-A756 PolarHBondContact O-N 2.87Š| ||
| 757 | T | 20.3 | Very low | 23.7 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 68% | 0.681 | 81% | 0.807 | S | S | * | * | trans | -68.8 | 147.3 | 169.8 | 1.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 758 | F | 18.7 | Very low | 23.4 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | trans | 65.7 | 120.6 | 159.3 | -71.6 | -77.7 | 0 | 0 | 0 | 118.2 | ||||
| 759 | T | 25.1 | Very low | 23.2 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | -179.5 | 135.6 | 92.7 | 43.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 760 | N | 20 | Very low | 22.9 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -65.5 | 141.2 | 170.1 | -70.5 | -36.1 | 0 | 0 | 0 | 111.2 | ||||
| 761 | N | 25 | Very low | 23 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -140.2 | 111.6 | 157.3 | -122.8 | -2.8 | 0 | 0 | 0 | 109.5 | ||||
| 762 | P | 23.8 | Very low | 22.8 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -95.7 | 170.6 | 170.2 | 36.2 | -28.5 | 0 | 0 | 0 | 111.1 | ||||
| 763 | A | 23.2 | Very low | 22.9 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | trans | 98.9 | 97.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 764 | M | 26.1 | Very low | 23.1 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -147 | 94.7 | 136.6 | -95.9 | -72.2 | 119.6 | 0 | 0 | 107.2 | ||||
| 765 | S | 23.9 | Very low | 23 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -79.9 | 131.4 | 165.1 | -71.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 766 | L | 21.8 | Very low | 23.4 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -125 | 100.4 | 158 | -133.1 | 96.4 | 0 | 0 | 0 | 107.9 | ||||
| 767 | S | 20.2 | Very low | 23.5 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -96.4 | 150.1 | 166.1 | -52.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 768 | T | 24 | Very low | 23.6 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 138 | 115.3 | 146.5 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 769 | L | 24.5 | Very low | 24.3 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | 161 | 74.8 | 140.1 | -83.9 | 166.5 | 0 | 0 | 0 | 108.7 | ||||
| 770 | I | 23.3 | Very low | 24.4 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -127.4 | 107.4 | 164.4 | -62.5 | 178.8 | 0 | 0 | 0 | 106.5 | ||||
| 771 | G | 23 | Very low | 24.6 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -92.9 | 116.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 772 | H | 23.4 | Very low | 24.6 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -75.6 | 142.2 | 171.5 | -85.7 | -87.1 | 0 | 0 | 0 | 112.1 | ||||
| 773 | P | 26.8 | Very low | 24.6 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -114.2 | 119.9 | 146.2 | 21.7 | -4 | 0 | 0 | 0 | 111.3 | ||||
| 774 | S | 24.7 | Very low | 24.5 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | 8.5 | 114.5 | 146.4 | 48.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 775 | R | 22.1 | Very low | 24.5 | Very low | 242 Ų | 242 | 137.8 Ų | 137.8 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | 50.2 | 95.9 | 89.6 | -81.3 | -171.6 | 177.7 | -175.2 | -0.1 | 114.8 | |||||
| 776 | H | 28.2 | Very low | 24.4 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -125.2 | 107.7 | 151.2 | -91.2 | -72.6 | 0 | 0 | 0 | 110.4 | ||||
| 777 | S | 25 | Very low | 24.5 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 3.8 | 121 | 149.6 | 45.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 778 | L | 23.5 | Very low | 24.8 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -64 | 145.7 | 153.8 | -73.9 | 137.5 | 0 | 0 | 0 | 112.2 | ||||
| 779 | P | 31.8 | Very low | 24.7 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -91.3 | 152.9 | 150.6 | 20.3 | -4 | 0 | 0 | 0 | 111.5 | ||||
| 780 | P | 27.2 | Very low | 24.7 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -104.9 | 161.3 | -171.5 | 36.5 | -24.1 | 0 | 0 | 0 | 114.1 | ||||
| 781 | D | 25.8 | Very low | 24.6 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | 55.9 | 102.7 | 145.3 | -58.2 | -24.7 | 0 | 0 | 0 | 120.3 | ||||
| 782 | C | 24.5 | Very low | 24.7 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -111.8 | 101.8 | 145.5 | -79.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 783 | S | 24.3 | Very low | 24.6 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 130.4 | 176.3 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 784 | I | 21.3 | Very low | 24.4 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | 33.6 | 114.1 | 133.3 | -50 | 172.9 | 0 | 0 | 0 | 117.1 | ||||
| 785 | S | 24.9 | Very low | 24.2 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -143.1 | 96.4 | 142.8 | -85.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 786 | A | 22 | Very low | 24.4 | Very low | 87 Ų | 87 | 144.2 Ų | 144.2 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 121.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 787 | N | 24.6 | Very low | 24.2 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -151.9 | 138.3 | 164.7 | -107.1 | -16.9 | 0 | 0 | 0 | 110.9 | ||||
| 788 | N | 26.3 | Very low | 24.1 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 78.8 | 78.2 | 166.2 | -68.9 | -20.1 | 0 | 0 | 0 | 119 | ||||
| 789 | S | 21.2 | Very low | 24.1 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -47.8 | 125.4 | 135.2 | -31 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 790 | R | 25 | Very low | 23.6 | Very low | 236 Ų | 236 | 147.6 Ų | 147.6 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -138.6 | 96.3 | 152.7 | -88.3 | -170.9 | 175.3 | 165.3 | -1.3 | 108.6 | ||||
| 791 | E | 22 | Very low | 23.5 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -63.2 | 129.3 | 164.4 | -66.4 | 171.8 | 149.4 | 0 | 0 | 109.4 | ||||
| 792 | I | 23.7 | Very low | 23.5 | Very low | 152 Ų | 152 | 150.2 Ų | 150.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -126.9 | 92 | 158 | -63.1 | 176.6 | 0 | 0 | 0 | 105.3 | ||||
| 793 | C | 21.8 | Very low | 23.4 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -74.6 | 117.3 | 168.4 | -68.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 794 | L | 23.1 | Very low | 23.4 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -96 | 107 | 163.6 | -74 | 173.7 | 0 | 0 | 0 | 108.2 | ||||
| 795 | N | 20.5 | Very low | 23.5 | Very low | 134 Ų | 134 | 156.6 Ų | 156.6 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | -67.2 | 127.8 | 171.2 | -143.6 | 28.9 | 0 | 0 | 0 | 108.6 | ||||
| 796 | F | 24.9 | Very low | 23.6 | Very low | 208 Ų | 208 | 157.5 Ų | 157.5 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -132.9 | 116.3 | 159.7 | -132 | -91.5 | 0 | 0 | 0 | 108.2 | ||||
| 797 | D | 24.4 | Very low | 23.6 | Very low | 127 Ų | 127 | 162.5 Ų | 162.5 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | trans | -67.4 | 137 | -167.4 | -71.1 | -60.2 | 0 | 0 | 0 | 112.9 | ||||
| 798 | L | 23.2 | Very low | 23.8 | Very low | 162 Ų | 162 | 163 Ų | 163 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -94.4 | 95.6 | 175.5 | -170.1 | 72.1 | 0 | 0 | 0 | 108.2 | H800 | L798-H800 PolarHBondContact O-N 2.81Š| ||
| 799 | E | 24.3 | Very low | 23.7 | Very low | 182 Ų | 182 | 162.9 Ų | 162.9 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -73.7 | 125.6 | 177.2 | -71.9 | -154.6 | 150.9 | 0 | 0 | 112.1 | ||||
| 800 | H | 21.4 | Very low | 23.8 | Very low | 170 Ų | 170 | 164.3 Ų | 164.3 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | trans | -72 | 135.9 | 170.6 | -83.9 | 45.9 | 0 | 0 | 0 | 111.8 | L798 | L798-H800 PolarHBondContact O-N 2.81Š| ||
| 801 | F | 23.8 | Very low | 23.9 | Very low | 208 Ų | 208 | 160.4 Ų | 160.4 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | trans | -149 | 150.7 | 140 | -98.2 | -83.2 | 0 | 0 | 0 | 111.2 | ||||
| 802 | P | 25.9 | Very low | 23.9 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -108 | 163.4 | -143.1 | 40.1 | -35 | 0 | 0 | 0 | 116 | ||||
| 803 | H | 23.4 | Very low | 24.2 | Very low | 182 Ų | 182 | 155.4 Ų | 155.4 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -44.9 | 128.7 | 166.6 | -72.1 | -88.3 | 0 | 0 | 0 | 114.6 | ||||
| 804 | Q | 23 | Very low | 24.3 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -115.5 | 104.1 | 160.2 | -123.6 | 178.8 | 42.9 | 0 | 0 | 109.7 | ||||
| 805 | H | 24.8 | Very low | 24.6 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -70.8 | 120 | 165.9 | -92.1 | -81 | 0 | 0 | 0 | 109.4 | ||||
| 806 | N | 25.6 | Very low | 24.7 | Very low | 140 Ų | 140 | 153 Ų | 153 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -124.7 | 103.2 | 158.6 | -103.7 | -22.2 | 0 | 0 | 0 | 109.5 | ||||
| 807 | K | 22.4 | Very low | 24.8 | Very low | 193 Ų | 193 | 149 Ų | 149 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -75.5 | 114.1 | 165.1 | -77.3 | 176.1 | 173.7 | 176.1 | 0 | 107.5 | ||||
| 808 | L | 28.1 | Very low | 25 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -116.5 | 105.3 | 159.9 | -107.8 | 92.5 | 0 | 0 | 0 | 111 | ||||
| 809 | N | 25.2 | Very low | 25 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | 6.7 | 129.9 | 152.4 | -145.1 | 11.3 | 0 | 0 | 0 | 120.7 | ||||
| 810 | N | 24 | Very low | 25.3 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -58.9 | 139.9 | 160.6 | -67 | -35.4 | 0 | 0 | 0 | 111.1 | ||||
| 811 | N | 27 | Very low | 25.4 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -146.9 | 108.4 | 151.5 | -94.6 | -18.1 | 0 | 0 | 0 | 109.4 | ||||
| 812 | C | 21.1 | Very low | 25.7 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 72% | 0.716 | 78% | 0.78 | S | S | * | * | trans | -91.6 | 129.2 | 169.9 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 813 | P | 31.2 | Very low | 25.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -98.3 | 105.7 | 159.9 | 9.3 | 10.3 | 0 | 0 | 0 | 109 | ||||
| 814 | T | 24.1 | Very low | 25.9 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -70.5 | 123 | 167.1 | -35.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 815 | T | 28.3 | Very low | 26.2 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -125.9 | 106.4 | 165 | -38.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 816 | T | 22.7 | Very low | 26.4 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -80.3 | 127.4 | 171.7 | 37.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 817 | T | 27.8 | Very low | 26.6 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -163.5 | 121.4 | 149.7 | 5.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 818 | T | 27.1 | Very low | 26.8 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 62.6 | 99.6 | 140.5 | 40.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 819 | T | 23.7 | Very low | 26.7 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | 1.2 | 123.7 | 126 | 48.7 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 820 | N | 30.1 | Very low | 26.9 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | -154.7 | 131.6 | 134.1 | -130.5 | -4.2 | 0 | 0 | 0 | 112.5 | ||||
| 821 | N | 24.5 | Very low | 27 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -68.7 | 139.6 | 172.4 | -100.1 | -22.3 | 0 | 0 | 0 | 110.9 | ||||
| 822 | N | 30.1 | Very low | 26.9 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | 174.9 | 123.1 | 123 | -96.3 | -18.2 | 0 | 0 | 0 | 113.2 | |||||
| 823 | N | 27.3 | Very low | 27.2 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | 43.9 | 125.3 | 132.5 | -76.7 | -8.5 | 0 | 0 | 0 | 122.4 | ||||
| 824 | N | 26.4 | Very low | 26.9 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 59.6 | 106.5 | 132.8 | -73.9 | -2 | 0 | 0 | 0 | 118.8 | ||||
| 825 | N | 29.1 | Very low | 27 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | 165.8 | 137.1 | 99.3 | -88.8 | -25.4 | 0 | 0 | 0 | 111.7 | |||||
| 826 | N | 29.6 | Very low | 26.8 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | 64.9 | 84 | 151.7 | -57.3 | -11.6 | 0 | 0 | 0 | 118.6 | T828 | N826-T828 PolarHBondContact O-N 3.13Š| ||
| 827 | N | 28 | Very low | 27 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -80.5 | 88.8 | 160.1 | -77.6 | -12.8 | 0 | 0 | 0 | 110.1 | L829 | N827-L829 PolarHBondContact O-N 3.38Š| ||
| 828 | T | 28.3 | Very low | 26.8 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | -76.5 | 113.6 | 157.3 | 38 | 0 | 0 | 0 | 0 | 108.5 | N826 V830 | N826-T828 PolarHBondContact O-N 3.13Å; T828-V830 PolarHBondContact O-N 2.7Å | ||
| 829 | L | 26.2 | Very low | 26.8 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -60.2 | 94.4 | 170.5 | -82.6 | 155.3 | 0 | 0 | 0 | 109.2 | N827 | N827-L829 PolarHBondContact O-N 3.38Š| ||
| 830 | V | 27.8 | Very low | 26.9 | Very low | 112 Ų | 112 | 147 Ų | 147 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | -93.4 | 102.1 | 164.5 | -76.6 | 0 | 0 | 0 | 0 | 107.3 | T828 T832 | T828-V830 PolarHBondContact O-N 2.7Å; V830-T832 PolarHBondContact O-N 3.36Å; V830-T832 PolarHBondContact O-OG1 3.07Å; V830-T832 VanDerWaalsContact O-OG1 3.09Å | ||
| 831 | D | 26.6 | Very low | 26.7 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -54.2 | 101.6 | 168.4 | -83.6 | -37.7 | 0 | 0 | 0 | 108.4 | C833 | D831-C833 PolarHBondContact O-N 3.29Š| ||
| 832 | T | 25.3 | Very low | 26.8 | Very low | 126 Ų | 126 | 145 Ų | 145 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -78.2 | 97.7 | -175.7 | -46.6 | 0 | 0 | 0 | 0 | 107 | V830 L834 | V830-T832 PolarHBondContact O-N 3.36Å; V830-T832 PolarHBondContact O-OG1 3.07Å; V830-T832 VanDerWaalsContact O-OG1 3.09Å; T832-L834 PolarHBondContact O-N 3.12Å | ||
| 833 | C | 26.1 | Very low | 26.7 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 68% | 0.676 | 78% | 0.783 | S | S | * | * | trans | -51.4 | 126.1 | 171.9 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | D831 C835 | D831-C833 PolarHBondContact O-N 3.29Å; C833-C835 PolarHBondContact O-N 3.31Å | ||
| 834 | L | 26.8 | Very low | 26.9 | Very low | 174 Ų | 174 | 145 Ų | 145 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -75 | 64.8 | -172.1 | -146.5 | 90.4 | 0 | 0 | 0 | 110.9 | T832 | T832-L834 PolarHBondContact O-N 3.12Š|
| 835 | C | 25.2 | Very low | 27.4 | Very low | 99 Ų | 99 | 144 Ų | 144 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -141.6 | 40.1 | 175.5 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | C833 | C833-C835 PolarHBondContact O-N 3.31Š| ||
| 836 | Q | 24.3 | Very low | 28.1 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -138.9 | 73.4 | 165.9 | -68.2 | -171.6 | 10.3 | 0 | 0 | 110.8 | ||||
| 837 | T | 27.2 | Very low | 28.9 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | trans | -113.8 | 92.2 | 160.8 | -32 | 0 | 0 | 0 | 0 | 108.4 | K839 | T837-K839 VanDerWaalsContact C-N 3.27Å; T837-K839 HydrophobicContact CG2-CD 4.35Å; T837-K839 HydrophobicContact CG2-CG 4.15Å; T837-K839 PolarHBondContact O-N 3.15Å | ||
| 838 | R | 23.5 | Very low | 30.1 | Very low | 259 Ų | 259 | 133.5 Ų | 133.5 | 98% | 0.977 | 74% | 0.737 | S | S | * | * | trans | -59.5 | 92.3 | 160.5 | -86.8 | 177.2 | 168.6 | 172.1 | -3.2 | 107.6 | ||||
| 839 | K | 27.5 | Very low | 31.6 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | trans | -115.8 | 123.5 | 161.4 | -82 | -176.2 | -179.4 | 179.7 | 0 | 108.8 | T837 | T837-K839 VanDerWaalsContact C-N 3.27Å; T837-K839 HydrophobicContact CG2-CD 4.35Å; T837-K839 HydrophobicContact CG2-CG 4.15Å; T837-K839 PolarHBondContact O-N 3.15Å | ||
| 840 | T | 25.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 73% | 0.73 | S | S | * | * | trans | -35.4 | 135.1 | 175.5 | 38 | 0 | 0 | 0 | 0 | 114.4 | T842 | T840-T842 PolarHBondContact O-N 3.46Š| ||
| 841 | V | 25.3 | Very low | 36.5 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 92% | 0.915 | 70% | 0.702 | S | S | * | * | trans | -48.8 | 100.7 | 173.8 | 179.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 842 | T | 27.3 | Very low | 39.1 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | trans | -134.3 | 106.6 | 162.4 | 47.1 | 0 | 0 | 0 | 0 | 108.3 | T840 | T840-T842 PolarHBondContact O-N 3.46Š| ||
| 843 | S | 28.3 | Very low | 41.9 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | trans | 28.8 | 91.5 | 155.1 | -172.2 | 0 | 0 | 0 | 0 | 116 | V845 | S843-V845 VanDerWaalsContact C-N 3.32Å; S843-V845 PolarHBondContact O-N 2.88Å | ||
| 844 | L | 31.2 | Very low | 45 | Very low | 174 Ų | 174 | 122.5 Ų | 122.5 | 91% | 0.911 | 67% | 0.672 | S | S | * | * | trans | -71 | 85.7 | 169.1 | -67.8 | 165.6 | 0 | 0 | 0 | 109.3 | ||||
| 845 | V | 36.5 | Very low | 47.8 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 68% | 0.679 | 66% | 0.658 | S | S | * | * | trans | -77.7 | 112.9 | 155.9 | -177.4 | 0 | 0 | 0 | 0 | 105.4 | S843 S847 | S843-V845 VanDerWaalsContact C-N 3.32Å; S843-V845 PolarHBondContact O-N 2.88Å; V845-S847 PolarHBondContact O-N 3.33Å; V845-S847 PolarHBondContact O-OG 3.12Å; V845-S847 VanDerWaalsContact O-OG 3.09Å | ||
| 846 | D | 43.8 | Very low | 51.1 | Low | 76 Ų | 76 | 116 Ų | 116 | 41% | 0.406 | 63% | 0.63 | S | S | . | * | trans | -45 | 104.4 | 179.3 | -79.8 | -49 | 0 | 0 | 0 | 110.2 | H848 R908 | D846-H848 PolarHBondContact O-N 3.45Å; D846-R908 IonicContact OD1-NH2 3.84Å; D846-R908 PolarHBondContact OD1-NH2 3.29Å; D846-R908 IonicContact OD2-CZ 3.35Å; D846-R908 IonicContact OD2-NH1 2.77Å; D846-R908 PolarHBondContact OD2-NH1 3.22Å; D846-R908 IonicContact OD2-NH2 3.75Å; D846-R908 PolarHBondContact OD2-NH2 3.09Å | ||
| 847 | S | 46.2 | Very low | 54.5 | Low | 74 Ų | 74 | 108.4 Ų | 108.4 | 52% | 0.517 | 59% | 0.593 | S | S | . | * | trans | -79.7 | 89.8 | -173.5 | -54.9 | 0 | 0 | 0 | 0 | 108.3 | V845 D849 L850 | V845-S847 PolarHBondContact O-N 3.33Å; V845-S847 PolarHBondContact O-OG 3.12Å; V845-S847 VanDerWaalsContact O-OG 3.09Å; S847-D849 PolarHBondContact O-N 3.38Å; S847-L850 PolarHBondContact O-N 3.16Å | ||
| 848 | H | 54.3 | Low | 57.5 | Low | 73 Ų | 73 | 104.1 Ų | 104.1 | 34% | 0.338 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -46.3 | -27.4 | 169.6 | -89.2 | -74.8 | 0 | 0 | 0 | 112.8 | D846 L850 L851 L882 Y892 | D846-H848 PolarHBondContact O-N 3.45Å; H848-L850 PolarHBondContact O-N 3.27Å; H848-L850 VanDerWaalsContact O-N 3.15Å; H848-L851 PolarHBondContact O-N 3.21Å; H848-L882 WeakPolarHBondContact CE1-CD2 3.21Å; H848-Y892 AromaticContact CE1-CZ 3.68Å; H848-Y892 PolarHBondContact CE1-OH 2.93Å; H848-Y892 AromaticContact ND1-CZ 3.96Å; H848-Y892 PolarHBondContact ND1-OH 2.85Å |
| 849 | D | 58.1 | Low | 60.8 | Low | 135 Ų | 135 | 92.6 Ų | 92.6 | 72% | 0.722 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -57.4 | -21.3 | 174.7 | -108 | -13.3 | 0 | 0 | 0 | 114.7 | S847 T852 | S847-D849 PolarHBondContact O-N 3.38Å; D849-T852 PolarHBondContact O-OG1 3.13Å |
| 850 | L | 73.4 | Confident | 63.8 | Low | 136 Ų | 136 | 89.9 Ų | 89.9 | 71% | 0.712 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -77.7 | -22.2 | -177.9 | -69.8 | 168.3 | 0 | 0 | 0 | 113.8 | S847 H848 | S847-L850 PolarHBondContact O-N 3.16Å; H848-L850 PolarHBondContact O-N 3.27Å; H848-L850 VanDerWaalsContact O-N 3.15Å |
| 851 | L | 85.4 | Confident | 67 | Low | 17 Ų | 17 | 84.5 Ų | 84.5 | 9% | 0.089 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -19.7 | -176.6 | -78.6 | 129.8 | 0 | 0 | 0 | 113.7 | H848 G853 Y854 W856 Y857 Y892 I930 | H848-L851 PolarHBondContact O-N 3.21Å; L851-G853 PolarHBondContact O-N 2.83Å; L851-G853 VanDerWaalsContact O-N 3.07Å; L851-Y854 PolarHBondContact O-N 3Å; L851-Y854 VanDerWaalsContact O-N 3.1Å; L851-W856 HydrophobicContact CD2-CH2 3.58Å; L851-W856 HydrophobicContact CD2-CZ3 3.77Å; L851-Y857 HydrophobicContact CB-CD1 3.73Å; L851-Y857 HydrophobicContact CB-CD2 4.25Å; L851-Y857 HydrophobicContact CB-CE1 3.88Å; L851-Y857 HydrophobicContact CB-CE2 4.42Å; L851-Y857 HydrophobicContact CB-CG 3.91Å; L851-Y857 HydrophobicContact CD2-CD2 4.4Å; L851-Y857 WeakPolarHBondContact O-CB 3.32Å; L851-Y857 WeakPolarHBondContact O-CD1 3.09Å; L851-Y892 HydrophobicContact CD1-CE1 3.9Å; L851-Y892 VanDerWaalsContact CD1-OH 3.26Å; L851-Y892 WeakPolarHBondContact CD1-OH 3.22Å; L851-I930 HydrophobicContact CD2-CB 4.21Å; L851-I930 HydrophobicContact CD2-CD1 4.42Å; L851-I930 HydrophobicContact CD2-CG2 4.19Å |
| 852 | T | 81.2 | Confident | 70.2 | Confident | 94 Ų | 94 | 80.1 Ų | 80.1 | 58% | 0.577 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.2 | -176.1 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | D849 Y857 | D849-T852 PolarHBondContact O-OG1 3.13Å; T852-Y857 HydrophobicContact CG2-CE1 4.35Å |
| 853 | G | 83 | Confident | 73.2 | Confident | 70 Ų | 70 | 81.4 Ų | 81.4 | 72% | 0.722 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | L851 | L851-G853 PolarHBondContact O-N 2.83Å; L851-G853 VanDerWaalsContact O-N 3.07Å |
| 854 | Y | 91.2 | Very high | 76.2 | Confident | 100 Ų | 100 | 82 Ų | 82 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -100.6 | 128.8 | -178.3 | -69.3 | -88.3 | 0 | 0 | 0 | 112.2 | L851 W856 Y857 P931 | L851-Y854 PolarHBondContact O-N 3Å; L851-Y854 VanDerWaalsContact O-N 3.1Å; Y854-W856 AromaticContact CD1-CE2 3.79Å; Y854-W856 AromaticContact CD1-CZ2 3.66Å; Y854-W856 HydrophobicContact CD1-CZ2 3.66Å; Y854-W856 AromaticContact CD1-NE1 3.63Å; Y854-W856 HydrophobicContact CD2-CZ2 4.16Å; Y854-W856 HydrophobicContact CE1-CZ2 4.29Å; Y854-W856 AromaticContact CG-CE2 3.82Å; Y854-W856 HydrophobicContact CG-CH2 4.28Å; Y854-W856 AromaticContact CG-CZ2 3.58Å; Y854-W856 HydrophobicContact CG-CZ2 3.58Å; Y854-W856 PolarHBondContact O-N 2.85Å; Y854-W856 VanDerWaalsContact O-N 3.1Å; Y854-Y857 PolarHBondContact O-N 2.88Å; Y854-P931 HydrophobicContact CD2-CG 4.44Å; Y854-P931 HydrophobicContact CE1-CB 4.12Å; Y854-P931 HydrophobicContact CE1-CG 4.3Å; Y854-P931 HydrophobicContact CE2-CB 4.41Å; Y854-P931 HydrophobicContact CE2-CG 3.73Å |
| 855 | D | 86.6 | Confident | 79.1 | Confident | 115 Ų | 115 | 76.9 Ų | 76.9 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -30.8 | -177.7 | -67.7 | -20.4 | 0 | 0 | 0 | 114.1 | P956 | D855-P956 HydrophobicContact CB-CB 4.26Š|
| 856 | W | 93.3 | Very high | 81.8 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 8% | 0.076 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.4 | 180 | 46.5 | -102 | 0 | 0 | 0 | 113.7 | L851 Y854 F878 L879 V880 I930 P931 I934 P956 | L851-W856 HydrophobicContact CD2-CH2 3.58Å; L851-W856 HydrophobicContact CD2-CZ3 3.77Å; Y854-W856 AromaticContact CD1-CE2 3.79Å; Y854-W856 AromaticContact CD1-CZ2 3.66Å; Y854-W856 HydrophobicContact CD1-CZ2 3.66Å; Y854-W856 AromaticContact CD1-NE1 3.63Å; Y854-W856 HydrophobicContact CD2-CZ2 4.16Å; Y854-W856 HydrophobicContact CE1-CZ2 4.29Å; Y854-W856 AromaticContact CG-CE2 3.82Å; Y854-W856 HydrophobicContact CG-CH2 4.28Å; Y854-W856 AromaticContact CG-CZ2 3.58Å; Y854-W856 HydrophobicContact CG-CZ2 3.58Å; Y854-W856 PolarHBondContact O-N 2.85Å; Y854-W856 VanDerWaalsContact O-N 3.1Å; W856-F878 HydrophobicContact CB-CD2 4.26Å; W856-F878 HydrophobicContact CB-CE2 3.56Å; W856-F878 HydrophobicContact CB-CZ 4.02Å; W856-F878 AromaticContact CG-CE2 3.9Å; W856-F878 HydrophobicContact CG-CE2 3.9Å; W856-F878 HydrophobicContact CG-CZ 4.3Å; W856-L879 CarbonylContact O-C 3.57Å; W856-L879 WeakPolarHBondContact O-CA 3.4Å; W856-V880 HydrophobicContact CD2-CG2 4.38Å; W856-V880 HydrophobicContact CE3-CB 3.57Å; W856-V880 HydrophobicContact CE3-CG2 3.39Å; W856-V880 HydrophobicContact CZ3-CB 3.66Å; W856-V880 HydrophobicContact CZ3-CG1 4.17Å; W856-V880 HydrophobicContact CZ3-CG2 3.57Å; W856-V880 PolarHBondContact O-N 2.53Å; W856-I930 HydrophobicContact CH2-CG2 3.82Å; W856-I930 HydrophobicContact CZ3-CG2 4Å; W856-P931 HydrophobicContact CH2-CG 4.27Å; W856-P931 HydrophobicContact CZ2-CB 4.31Å; W856-P931 HydrophobicContact CZ2-CG 4.22Å; W856-I934 HydrophobicContact CD2-CG1 4.28Å; W856-I934 HydrophobicContact CD2-CG2 4.35Å; W856-I934 HydrophobicContact CE3-CG1 4.32Å; W856-I934 HydrophobicContact CG-CG2 4.39Å; W856-I934 HydrophobicContact CH2-CG1 4.01Å; W856-I934 HydrophobicContact CZ2-CB 4.28Å; W856-I934 HydrophobicContact CZ2-CG1 3.97Å; W856-I934 HydrophobicContact CZ3-CG1 4.19Å; W856-P956 HydrophobicContact CB-CB 3.95Å |
| 857 | Y | 95 | Very high | 84.2 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 12% | 0.122 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.8 | -179.7 | -178.6 | -114.2 | 0 | 0 | 0 | 110.7 | L851 T852 Y854 V880 Y892 | L851-Y857 HydrophobicContact CB-CD1 3.73Å; L851-Y857 HydrophobicContact CB-CD2 4.25Å; L851-Y857 HydrophobicContact CB-CE1 3.88Å; L851-Y857 HydrophobicContact CB-CE2 4.42Å; L851-Y857 HydrophobicContact CB-CG 3.91Å; L851-Y857 HydrophobicContact CD2-CD2 4.4Å; L851-Y857 WeakPolarHBondContact O-CB 3.32Å; L851-Y857 WeakPolarHBondContact O-CD1 3.09Å; T852-Y857 HydrophobicContact CG2-CE1 4.35Å; Y854-Y857 PolarHBondContact O-N 2.88Å; Y857-V880 HydrophobicContact CD2-CB 4.42Å; Y857-V880 HydrophobicContact CD2-CG1 4.33Å; Y857-V880 WeakPolarHBondContact CD2-O 3.09Å; Y857-Y892 HydrophobicContact CE2-CD1 4.11Å; Y857-Y892 AromaticContact CE2-CE1 3.72Å; Y857-Y892 HydrophobicContact CE2-CE1 3.72Å |
| 858 | V | 91.5 | Very high | 86.3 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -0.1 | -174.2 | -62.2 | 0 | 0 | 0 | 0 | 114.3 | M861 L879 V880 R881 Y957 | V858-M861 HydrophobicContact CB-CE 3.86Å; V858-M861 HydrophobicContact CG1-CE 4.5Å; V858-M861 HydrophobicContact CG2-CB 4.22Å; V858-M861 HydrophobicContact CG2-CE 3.6Å; V858-M861 HydrophobicContact CG2-SD 3.91Å; V858-L879 HydrophobicContact CG1-CB 3.95Å; V858-L879 HydrophobicContact CG1-CD2 4.29Å; V858-L879 HydrophobicContact CG2-CB 4.47Å; V858-L879 HydrophobicContact CG2-CD1 3.91Å; V858-V880 WeakPolarHBondContact CG2-O 3.48Å; V858-V880 PolarHBondContact N-O 3.03Å; V858-R881 HydrophobicContact CG2-CB 3.83Å; V858-Y957 HydrophobicContact CG1-CD1 4.39Å |
| 859 | G | 91.8 | Very high | 88 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 19% | 0.186 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.1 | -152.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | M861 R881 L882 | G859-M861 PolarHBondContact O-N 3.26Å; G859-R881 WeakPolarHBondContact O-CA 3.46Å; G859-L882 PolarHBondContact O-N 3.38Å |
| 860 | E | 91.7 | Very high | 89.7 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 121.4 | 176.3 | -71.6 | -178.2 | -175.2 | 0 | 0 | 111.6 | L882 K884 | E860-L882 WeakPolarHBondContact CA-O 3.42Å; E860-L882 HydrophobicContact CG-CB 4.23Å; E860-L882 HydrophobicContact CG-CD2 3.94Å; E860-L882 HydrophobicContact CG-CG 4.48Å; E860-K884 HydrophobicContact CB-CG 4.02Å; E860-K884 WeakPolarHBondContact O-CE 3.39Å |
| 861 | M | 92.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 6% | 0.064 | 33% | 0.332 | C | S | . | . | trans | -155 | 135 | 178.5 | -173.1 | -178.8 | -71.5 | 0 | 0 | 110.6 | V858 G859 E865 A866 L869 L879 R881 L882 | V858-M861 HydrophobicContact CB-CE 3.86Å; V858-M861 HydrophobicContact CG1-CE 4.5Å; V858-M861 HydrophobicContact CG2-CB 4.22Å; V858-M861 HydrophobicContact CG2-CE 3.6Å; V858-M861 HydrophobicContact CG2-SD 3.91Å; G859-M861 PolarHBondContact O-N 3.26Å; M861-E865 VanDerWaalsContact CA-OE2 3.32Å; M861-E865 WeakPolarHBondContact CA-OE2 3.38Å; M861-E865 HydrophobicContact CG-CB 3.48Å; M861-E865 VanDerWaalsContact CG-CB 3.48Å; M861-E865 HydrophobicContact CG-CG 4.46Å; M861-E865 WeakPolarHBondContact CG-OE2 3.28Å; M861-E865 HydrophobicContact SD-CB 4.23Å; M861-A866 HydrophobicContact SD-CB 4.01Å; M861-L869 HydrophobicContact CE-CD1 3.43Å; M861-L869 VanDerWaalsContact CE-CD1 3.43Å; M861-L869 HydrophobicContact SD-CD1 3.85Å; M861-L879 HydrophobicContact SD-CD1 4.41Å; M861-L879 HydrophobicContact SD-CD2 4.43Å; M861-R881 HydrophobicContact CB-CB 3.8Å; M861-R881 WeakPolarHBondContact O-CD 3.33Å; M861-R881 PolarHBondContact O-NH1 3.5Å; M861-L882 PolarHBondContact N-O 2.94Å | ||
| 862 | D | 92 | Very high | 90.3 | Very high | 58 Ų | 58 | 66 Ų | 66 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | trans | -80.6 | 174.3 | 174.1 | 71.9 | 57.8 | 0 | 0 | 0 | 112.1 | L864 E865 A866 K884 | D862-L864 WeakPolarHBondContact OD1-CA 3.3Å; D862-L864 WeakPolarHBondContact OD1-CB 3.44Å; D862-L864 PolarHBondContact OD1-N 3.4Å; D862-E865 PolarHBondContact N-OE2 2.83Å; D862-E865 PolarHBondContact OD1-N 2.85Å; D862-E865 WeakPolarHBondContact OD2-CG 3.22Å; D862-A866 PolarHBondContact O-N 3.18Å; D862-K884 HydrophobicContact CB-CB 4.36Å; D862-K884 HydrophobicContact CB-CD 4.36Å | ||
| 863 | R | 90.1 | Very high | 90.8 | Very high | 145 Ų | 145 | 62.1 Ų | 62.1 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | -177.1 | -175.2 | 178.5 | 176.1 | 129.7 | -3.6 | 111.8 | A866 V867 H903 | R863-A866 PolarHBondContact O-N 3.19Å; R863-V867 WeakPolarHBondContact O-CG2 3.27Å; R863-V867 PolarHBondContact O-N 2.82Å; R863-H903 PolarHBondContact NE-CD2 3.42Å; R863-H903 VanDerWaalsContact NE-CD2 3.28Å; R863-H903 PolarHBondContact NH2-CD2 2.8Å |
| 864 | L | 91.1 | Very high | 91.1 | Very high | 117 Ų | 117 | 62 Ų | 62 | 61% | 0.613 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.4 | -41.7 | -176.4 | -175.1 | 65.5 | 0 | 0 | 0 | 110.7 | D862 A866 V867 N868 | D862-L864 WeakPolarHBondContact OD1-CA 3.3Å; D862-L864 WeakPolarHBondContact OD1-CB 3.44Å; D862-L864 PolarHBondContact OD1-N 3.4Å; L864-A866 VanDerWaalsContact C-N 3.3Å; L864-A866 PolarHBondContact O-N 3.18Å; L864-V867 PolarHBondContact O-N 3.37Å; L864-N868 VanDerWaalsContact O-CG 3.26Å; L864-N868 PolarHBondContact O-N 3.01Å; L864-N868 PolarHBondContact O-ND2 2.78Å |
| 865 | E | 92.7 | Very high | 91.1 | Very high | 68 Ų | 68 | 60.7 Ų | 60.7 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.4 | -46.2 | 170.5 | -71.2 | 175.6 | 137.8 | 0 | 0 | 111 | M861 D862 N868 L869 K884 | M861-E865 VanDerWaalsContact CA-OE2 3.32Å; M861-E865 WeakPolarHBondContact CA-OE2 3.38Å; M861-E865 HydrophobicContact CG-CB 3.48Å; M861-E865 VanDerWaalsContact CG-CB 3.48Å; M861-E865 HydrophobicContact CG-CG 4.46Å; M861-E865 WeakPolarHBondContact CG-OE2 3.28Å; M861-E865 HydrophobicContact SD-CB 4.23Å; D862-E865 PolarHBondContact N-OE2 2.83Å; D862-E865 PolarHBondContact OD1-N 2.85Å; D862-E865 WeakPolarHBondContact OD2-CG 3.22Å; E865-N868 PolarHBondContact O-N 2.8Å; E865-L869 WeakPolarHBondContact O-CG 3.46Å; E865-L869 PolarHBondContact O-N 2.94Å; E865-L869 VanDerWaalsContact O-N 3.07Å; E865-K884 IonicContact OE1-NZ 2.83Å; E865-K884 PolarHBondContact OE1-NZ 3.46Å; E865-K884 IonicContact OE2-NZ 3.75Å; E865-K884 PolarHBondContact OE2-NZ 3.4Å |
| 866 | A | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | M861 D862 R863 L864 L869 L870 L879 | M861-A866 HydrophobicContact SD-CB 4.01Å; D862-A866 PolarHBondContact O-N 3.18Å; R863-A866 PolarHBondContact O-N 3.19Å; L864-A866 VanDerWaalsContact C-N 3.3Å; L864-A866 PolarHBondContact O-N 3.18Å; A866-L869 PolarHBondContact O-N 3.11Å; A866-L870 VanDerWaalsContact O-CB 3.31Å; A866-L870 WeakPolarHBondContact O-CB 3.33Å; A866-L870 VanDerWaalsContact O-CG 3.27Å; A866-L870 WeakPolarHBondContact O-CG 3.45Å; A866-L870 PolarHBondContact O-N 2.89Å; A866-L870 VanDerWaalsContact O-N 3.08Å; A866-L879 HydrophobicContact CB-CD1 4.4Å |
| 867 | V | 94.4 | Very high | 91.5 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 29% | 0.285 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 174.5 | 171 | 0 | 0 | 0 | 0 | 110.6 | R863 L864 L869 L870 S871 P901 H903 | R863-V867 WeakPolarHBondContact O-CG2 3.27Å; R863-V867 PolarHBondContact O-N 2.82Å; L864-V867 PolarHBondContact O-N 3.37Å; V867-L869 VanDerWaalsContact C-N 3.33Å; V867-L869 PolarHBondContact O-N 2.97Å; V867-L870 PolarHBondContact O-N 2.9Å; V867-S871 WeakPolarHBondContact O-CB 3.43Å; V867-S871 PolarHBondContact O-N 3.15Å; V867-P901 HydrophobicContact CG2-CB 4.47Å; V867-H903 WeakPolarHBondContact CG2-NE2 3.35Å |
| 868 | N | 90.4 | Very high | 91.6 | Very high | 107 Ų | 107 | 53 Ų | 53 | 57% | 0.572 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.4 | -35.6 | -178.5 | -69.3 | -18.8 | 0 | 0 | 0 | 112.7 | L864 E865 | L864-N868 VanDerWaalsContact O-CG 3.26Å; L864-N868 PolarHBondContact O-N 3.01Å; L864-N868 PolarHBondContact O-ND2 2.78Å; E865-N868 PolarHBondContact O-N 2.8Å |
| 869 | L | 89.4 | Confident | 91.9 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 31% | 0.314 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73 | -32.8 | 176.2 | -67.1 | -178.5 | 0 | 0 | 0 | 112.7 | M861 E865 A866 V867 C873 Y957 | M861-L869 HydrophobicContact CE-CD1 3.43Å; M861-L869 VanDerWaalsContact CE-CD1 3.43Å; M861-L869 HydrophobicContact SD-CD1 3.85Å; E865-L869 WeakPolarHBondContact O-CG 3.46Å; E865-L869 PolarHBondContact O-N 2.94Å; E865-L869 VanDerWaalsContact O-N 3.07Å; A866-L869 PolarHBondContact O-N 3.11Å; V867-L869 VanDerWaalsContact C-N 3.33Å; V867-L869 PolarHBondContact O-N 2.97Å; L869-C873 PolarHBondContact O-SG 2.85Å; L869-C873 VanDerWaalsContact O-SG 3.35Å; L869-Y957 HydrophobicContact CB-CE2 4.05Å; L869-Y957 HydrophobicContact CD1-CE1 4.09Å; L869-Y957 WeakPolarHBondContact CD2-OH 3.41Å |
| 870 | L | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -94.7 | -11.5 | -173.1 | -67.4 | 178.5 | 0 | 0 | 0 | 114.2 | A866 V867 N872 C873 T877 L879 V897 P901 Y957 | A866-L870 VanDerWaalsContact O-CB 3.31Å; A866-L870 WeakPolarHBondContact O-CB 3.33Å; A866-L870 VanDerWaalsContact O-CG 3.27Å; A866-L870 WeakPolarHBondContact O-CG 3.45Å; A866-L870 PolarHBondContact O-N 2.89Å; A866-L870 VanDerWaalsContact O-N 3.08Å; V867-L870 PolarHBondContact O-N 2.9Å; L870-N872 PolarHBondContact O-N 2.8Å; L870-N872 VanDerWaalsContact O-N 3.11Å; L870-C873 HydrophobicContact CD2-CB 4.46Å; L870-C873 WeakPolarHBondContact O-CB 3.19Å; L870-C873 PolarHBondContact O-N 3.5Å; L870-T877 HydrophobicContact CD2-CG2 4.07Å; L870-L879 HydrophobicContact CD1-CD2 4.3Å; L870-L879 HydrophobicContact CD1-CG 4.39Å; L870-L879 HydrophobicContact CD2-CD2 4.17Å; L870-L879 HydrophobicContact CG-CD2 4.21Å; L870-V897 HydrophobicContact CB-CG2 3.74Å; L870-V897 HydrophobicContact CD1-CG2 4.32Å; L870-V897 HydrophobicContact CD2-CG2 4.02Å; L870-V897 HydrophobicContact CG-CG2 4.24Å; L870-P901 HydrophobicContact CB-CB 4.07Å; L870-P901 HydrophobicContact CB-CG 3.73Å; L870-P901 HydrophobicContact CD1-CB 4.38Å; L870-Y957 HydrophobicContact CD2-CD2 4.01Å |
| 871 | S | 86.8 | Confident | 92.3 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 47% | 0.469 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.8 | -171 | 69.4 | 0 | 0 | 0 | 0 | 115 | V867 | V867-S871 WeakPolarHBondContact O-CB 3.43Å; V867-S871 PolarHBondContact O-N 3.15Å |
| 872 | N | 84.6 | Confident | 92.3 | Very high | 113 Ų | 113 | 45.4 Ų | 45.4 | 60% | 0.604 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 6.7 | -178.9 | -60.9 | -21.1 | 0 | 0 | 0 | 112.8 | L870 N1009 | L870-N872 PolarHBondContact O-N 2.8Å; L870-N872 VanDerWaalsContact O-N 3.11Å; N872-N1009 WeakPolarHBondContact O-CB 3.33Å; N872-N1009 PolarHBondContact O-ND2 3.17Å; N872-N1009 VanDerWaalsContact O-ND2 3.15Å |
| 873 | C | 90.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 9% | 0.088 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -79.1 | 155.9 | 178.5 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | L869 L870 T877 V897 N1009 | L869-C873 PolarHBondContact O-SG 2.85Å; L869-C873 VanDerWaalsContact O-SG 3.35Å; L870-C873 HydrophobicContact CD2-CB 4.46Å; L870-C873 WeakPolarHBondContact O-CB 3.19Å; L870-C873 PolarHBondContact O-N 3.5Å; C873-T877 HydrophobicContact CB-CG2 3.88Å; C873-V897 HydrophobicContact CB-CG2 4.01Å; C873-N1009 PolarHBondContact SG-O 3.43Å |
| 874 | I | 89.2 | Confident | 92 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 35% | 0.349 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -79.5 | 159.7 | 175.2 | 62.3 | 167.3 | 0 | 0 | 0 | 111.5 | T877 Y955 | I874-T877 VanDerWaalsContact O-CB 3.27Å; I874-T877 WeakPolarHBondContact O-CB 3.41Å; I874-T877 PolarHBondContact O-N 2.78Å; I874-T877 VanDerWaalsContact O-N 3.14Å; I874-T877 PolarHBondContact O-OG1 2.66Å; I874-Y955 HydrophobicContact CD1-CD2 3.84Å; I874-Y955 HydrophobicContact CD1-CE2 3.4Å; I874-Y955 VanDerWaalsContact CD1-CE2 3.4Å; I874-Y955 HydrophobicContact CG1-CD2 4.01Å; I874-Y955 HydrophobicContact CG1-CE2 3.98Å |
| 875 | D | 92.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 37.1 Ų | 37.1 | 38% | 0.38 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 141.4 | 175.5 | -68.9 | -18.1 | 0 | 0 | 0 | 112.4 | T877 V897 Y898 G899 I951 Y955 | D875-T877 VanDerWaalsContact C-N 3.29Å; D875-V897 WeakPolarHBondContact CA-O 3.5Å; D875-Y898 WeakPolarHBondContact OD1-CA 3.42Å; D875-G899 PolarHBondContact OD1-N 2.85Å; D875-I951 HydrophobicContact CB-CD1 4.11Å; D875-Y955 WeakPolarHBondContact O-CE2 3.49Å |
| 876 | G | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -2.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V897 L954 Y955 | G876-V897 PolarHBondContact N-O 3.03Å; G876-L954 PolarHBondContact O-N 3.48Å; G876-Y955 PolarHBondContact O-N 3.33Å |
| 877 | T | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.4 | 170.2 | -52 | 0 | 0 | 0 | 0 | 110.1 | L870 C873 I874 D875 V896 V897 Y955 Y957 | L870-T877 HydrophobicContact CD2-CG2 4.07Å; C873-T877 HydrophobicContact CB-CG2 3.88Å; I874-T877 VanDerWaalsContact O-CB 3.27Å; I874-T877 WeakPolarHBondContact O-CB 3.41Å; I874-T877 PolarHBondContact O-N 2.78Å; I874-T877 VanDerWaalsContact O-N 3.14Å; I874-T877 PolarHBondContact O-OG1 2.66Å; D875-T877 VanDerWaalsContact C-N 3.29Å; T877-V896 CarbonylContact O-C 3.53Å; T877-V896 WeakPolarHBondContact O-CA 3.39Å; T877-V897 PolarHBondContact O-N 3.23Å; T877-Y955 CarbonylContact C-O 3.59Å; T877-Y955 VanDerWaalsContact CA-O 3.27Å; T877-Y955 WeakPolarHBondContact CA-O 3.31Å; T877-Y957 HydrophobicContact CG2-CD2 4.46Å |
| 878 | F | 97.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 160 | -173.6 | 77 | -81.2 | 0 | 0 | 0 | 114.4 | W856 L894 S895 V896 I934 L953 Y955 P956 Y957 | W856-F878 HydrophobicContact CB-CD2 4.26Å; W856-F878 HydrophobicContact CB-CE2 3.56Å; W856-F878 HydrophobicContact CB-CZ 4.02Å; W856-F878 AromaticContact CG-CE2 3.9Å; W856-F878 HydrophobicContact CG-CE2 3.9Å; W856-F878 HydrophobicContact CG-CZ 4.3Å; F878-L894 HydrophobicContact CB-CD1 4.3Å; F878-L894 HydrophobicContact CD2-CD1 3.83Å; F878-L894 HydrophobicContact CG-CD1 4.48Å; F878-S895 CarbonylContact C-O 3.6Å; F878-S895 WeakPolarHBondContact CA-O 3.16Å; F878-S895 WeakPolarHBondContact CB-O 3.48Å; F878-V896 HydrophobicContact CB-CB 4Å; F878-V896 HydrophobicContact CB-CG2 4.04Å; F878-I934 HydrophobicContact CE2-CD1 4.43Å; F878-I934 HydrophobicContact CE2-CG2 3.6Å; F878-I934 HydrophobicContact CZ-CG2 3.78Å; F878-L953 HydrophobicContact CB-CD2 3.89Å; F878-L953 HydrophobicContact CD1-CB 3.7Å; F878-L953 HydrophobicContact CD1-CD2 4.22Å; F878-L953 HydrophobicContact CD1-CG 4.48Å; F878-L953 HydrophobicContact CD2-CB 4.34Å; F878-L953 HydrophobicContact CD2-CD1 4.19Å; F878-L953 HydrophobicContact CD2-CD2 4.16Å; F878-L953 HydrophobicContact CD2-CG 4.47Å; F878-L953 HydrophobicContact CE1-CB 3.62Å; F878-L953 HydrophobicContact CE2-CB 4.27Å; F878-L953 HydrophobicContact CE2-CD1 4.17Å; F878-L953 HydrophobicContact CG-CB 4.07Å; F878-L953 HydrophobicContact CG-CD2 3.83Å; F878-L953 HydrophobicContact CG-CG 4.38Å; F878-L953 HydrophobicContact CZ-CB 3.92Å; F878-Y955 WeakPolarHBondContact CD1-O 3.46Å; F878-Y955 PolarHBondContact N-O 3.17Å; F878-P956 HydrophobicContact CE1-CG 4.05Å; F878-P956 HydrophobicContact CZ-CB 4.49Å; F878-P956 HydrophobicContact CZ-CG 4.05Å; F878-Y957 WeakPolarHBondContact O-CB 3.48Å; F878-Y957 PolarHBondContact O-N 2.8Å |
| 879 | L | 97.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155.3 | 171.4 | 57.2 | 84.8 | 0 | 0 | 0 | 111.3 | W856 V858 M861 A866 L870 R881 S895 Y957 | W856-L879 CarbonylContact O-C 3.57Å; W856-L879 WeakPolarHBondContact O-CA 3.4Å; V858-L879 HydrophobicContact CG1-CB 3.95Å; V858-L879 HydrophobicContact CG1-CD2 4.29Å; V858-L879 HydrophobicContact CG2-CB 4.47Å; V858-L879 HydrophobicContact CG2-CD1 3.91Å; M861-L879 HydrophobicContact SD-CD1 4.41Å; M861-L879 HydrophobicContact SD-CD2 4.43Å; A866-L879 HydrophobicContact CB-CD1 4.4Å; L870-L879 HydrophobicContact CD1-CD2 4.3Å; L870-L879 HydrophobicContact CD1-CG 4.39Å; L870-L879 HydrophobicContact CD2-CD2 4.17Å; L870-L879 HydrophobicContact CG-CD2 4.21Å; L879-R881 HydrophobicContact CD1-CB 4.1Å; L879-R881 HydrophobicContact CD1-CG 4.22Å; L879-S895 PolarHBondContact N-O 3.32Å; L879-S895 PolarHBondContact O-N 2.74Å; L879-Y957 HydrophobicContact CD2-CD1 4.25Å; L879-Y957 HydrophobicContact CD2-CG 4.11Å |
| 880 | V | 97.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.7 | 168.1 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | W856 Y857 V858 Y892 S893 L894 I906 I930 I934 | W856-V880 HydrophobicContact CD2-CG2 4.38Å; W856-V880 HydrophobicContact CE3-CB 3.57Å; W856-V880 HydrophobicContact CE3-CG2 3.39Å; W856-V880 HydrophobicContact CZ3-CB 3.66Å; W856-V880 HydrophobicContact CZ3-CG1 4.17Å; W856-V880 HydrophobicContact CZ3-CG2 3.57Å; W856-V880 PolarHBondContact O-N 2.53Å; Y857-V880 HydrophobicContact CD2-CB 4.42Å; Y857-V880 HydrophobicContact CD2-CG1 4.33Å; Y857-V880 WeakPolarHBondContact CD2-O 3.09Å; V858-V880 WeakPolarHBondContact CG2-O 3.48Å; V858-V880 PolarHBondContact N-O 3.03Å; V880-Y892 HydrophobicContact CG1-CD1 4.06Å; V880-S893 WeakPolarHBondContact CA-O 3.48Å; V880-L894 HydrophobicContact CG2-CD1 4.15Å; V880-I906 HydrophobicContact CG1-CD1 3.86Å; V880-I906 HydrophobicContact CG2-CD1 4.29Å; V880-I930 HydrophobicContact CG1-CG2 4.41Å; V880-I934 HydrophobicContact CG2-CD1 3.6Å; V880-I934 HydrophobicContact CG2-CG1 4.13Å |
| 881 | R | 94.6 | Very high | 87.3 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.5 | -179.7 | 59.8 | -174.4 | -173.6 | 74.4 | 9.1 | 111.8 | V858 G859 M861 L879 Y892 S893 S895 | V858-R881 HydrophobicContact CG2-CB 3.83Å; G859-R881 WeakPolarHBondContact O-CA 3.46Å; M861-R881 HydrophobicContact CB-CB 3.8Å; M861-R881 WeakPolarHBondContact O-CD 3.33Å; M861-R881 PolarHBondContact O-NH1 3.5Å; L879-R881 HydrophobicContact CD1-CB 4.1Å; L879-R881 HydrophobicContact CD1-CG 4.22Å; R881-Y892 CarbonylContact O-C 3.49Å; R881-Y892 WeakPolarHBondContact O-CA 3.38Å; R881-S893 WeakPolarHBondContact CG-O 3.31Å; R881-S893 PolarHBondContact N-O 3.24Å; R881-S893 PolarHBondContact O-N 3.39Å; R881-S895 PolarHBondContact NE-OG 3.34Å |
| 882 | L | 93.2 | Very high | 87.7 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 132.6 | 166.8 | -164.4 | 67.9 | 0 | 0 | 0 | 109.3 | H848 G859 E860 M861 K884 G890 Y892 | H848-L882 WeakPolarHBondContact CE1-CD2 3.21Å; G859-L882 PolarHBondContact O-N 3.38Å; E860-L882 WeakPolarHBondContact CA-O 3.42Å; E860-L882 HydrophobicContact CG-CB 4.23Å; E860-L882 HydrophobicContact CG-CD2 3.94Å; E860-L882 HydrophobicContact CG-CG 4.48Å; M861-L882 PolarHBondContact N-O 2.94Å; L882-K884 PolarHBondContact O-N 2.65Å; L882-G890 WeakPolarHBondContact CD1-O 3.37Å; L882-Y892 HydrophobicContact CD1-CD1 3.93Å; L882-Y892 HydrophobicContact CD1-CD2 4.28Å; L882-Y892 HydrophobicContact CD1-CE1 3.79Å; L882-Y892 HydrophobicContact CD1-CE2 4.14Å; L882-Y892 HydrophobicContact CD1-CG 4.19Å |
| 883 | S | 87.8 | Confident | 88.2 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | trans | -67.6 | 127.3 | -178.1 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | S885 R888 E891 | S883-S885 VanDerWaalsContact C-N 3.32Å; S883-S885 PolarHBondContact OG-N 3.2Å; S883-R888 VanDerWaalsContact CB-O 3.31Å; S883-R888 WeakPolarHBondContact CB-O 3.31Å; S883-R888 PolarHBondContact OG-O 3.31Å; S883-E891 WeakPolarHBondContact CB-O 3.12Å; S883-E891 PolarHBondContact N-O 2.96Å | ||
| 884 | K | 86.3 | Confident | 88.6 | Confident | 96 Ų | 96 | 44.8 Ų | 44.8 | 42% | 0.417 | 24% | 0.24 | S | C | . | . | trans | -79.7 | -7.1 | 169 | -71.9 | -178.8 | 175.3 | 168.7 | 0 | 114.1 | E860 D862 E865 L882 A886 | E860-K884 HydrophobicContact CB-CG 4.02Å; E860-K884 WeakPolarHBondContact O-CE 3.39Å; D862-K884 HydrophobicContact CB-CB 4.36Å; D862-K884 HydrophobicContact CB-CD 4.36Å; E865-K884 IonicContact OE1-NZ 2.83Å; E865-K884 PolarHBondContact OE1-NZ 3.46Å; E865-K884 IonicContact OE2-NZ 3.75Å; E865-K884 PolarHBondContact OE2-NZ 3.4Å; L882-K884 PolarHBondContact O-N 2.65Å; K884-A886 PolarHBondContact O-N 2.68Å | ||
| 885 | S | 79 | Confident | 89 | Confident | 45 Ų | 45 | 41.5 Ų | 41.5 | 32% | 0.315 | 22% | 0.223 | S | C | . | . | trans | -69.7 | 131.1 | 179.6 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | S883 E887 R888 M889 | S883-S885 VanDerWaalsContact C-N 3.32Å; S883-S885 PolarHBondContact OG-N 3.2Å; S885-E887 PolarHBondContact O-N 3.42Å; S885-E887 PolarHBondContact OG-N 3.19Å; S885-R888 CarbonylContact O-C 3.48Å; S885-R888 VanDerWaalsContact O-C 3.28Å; S885-R888 PolarHBondContact O-N 3.4Å; S885-M889 WeakPolarHBondContact O-CA 3.33Å; S885-M889 PolarHBondContact O-N 3.24Å | ||
| 886 | A | 76.2 | Confident | 89.2 | Confident | 92 Ų | 92 | 38.1 Ų | 38.1 | 76% | 0.76 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -57 | -36.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K884 R888 | K884-A886 PolarHBondContact O-N 2.68Å; A886-R888 VanDerWaalsContact C-N 3.28Å; A886-R888 PolarHBondContact O-N 3.28Å |
| 887 | E | 75.2 | Confident | 89.4 | Confident | 181 Ų | 181 | 38.4 Ų | 38.4 | 85% | 0.846 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -71.5 | -22.4 | 179.1 | -63.7 | 175 | 178.9 | 0 | 0 | 113.3 | S885 | S885-E887 PolarHBondContact O-N 3.42Å; S885-E887 PolarHBondContact OG-N 3.19Å |
| 888 | R | 76.7 | Confident | 89.3 | Confident | 86 Ų | 86 | 41.8 Ų | 41.8 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -126.4 | 29 | -175.6 | -62 | -166.7 | -65 | 152.9 | -6.5 | 111.7 | S883 S885 A886 G890 E891 | S883-R888 VanDerWaalsContact CB-O 3.31Å; S883-R888 WeakPolarHBondContact CB-O 3.31Å; S883-R888 PolarHBondContact OG-O 3.31Å; S885-R888 CarbonylContact O-C 3.48Å; S885-R888 VanDerWaalsContact O-C 3.28Å; S885-R888 PolarHBondContact O-N 3.4Å; A886-R888 VanDerWaalsContact C-N 3.28Å; A886-R888 PolarHBondContact O-N 3.28Å; R888-G890 PolarHBondContact O-N 3.28Å; R888-E891 HydrophobicContact CB-CB 4.35Å; R888-E891 HydrophobicContact CB-CG 4.26Å; R888-E891 WeakPolarHBondContact CD-OE2 3.48Å; R888-E891 WeakPolarHBondContact O-CB 3.45Å; R888-E891 PolarHBondContact O-N 3.15Å; R888-E891 VanDerWaalsContact O-N 3.1Å |
| 889 | M | 74.4 | Confident | 89 | Confident | 154 Ų | 154 | 44.8 Ų | 44.8 | 76% | 0.759 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 128.2 | -176.9 | -171.3 | 177.6 | -180 | 0 | 0 | 109.1 | S885 | S885-M889 WeakPolarHBondContact O-CA 3.33Å; S885-M889 PolarHBondContact O-N 3.24Å |
| 890 | G | 75.9 | Confident | 88.6 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -6.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L882 R888 | L882-G890 WeakPolarHBondContact CD1-O 3.37Å; R888-G890 PolarHBondContact O-N 3.28Å |
| 891 | E | 90.1 | Very high | 88.4 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | trans | -82.8 | 142.3 | 175.2 | -67 | -172.4 | -170.9 | 0 | 0 | 112.6 | S883 R888 R905 | S883-E891 WeakPolarHBondContact CB-O 3.12Å; S883-E891 PolarHBondContact N-O 2.96Å; R888-E891 HydrophobicContact CB-CB 4.35Å; R888-E891 HydrophobicContact CB-CG 4.26Å; R888-E891 WeakPolarHBondContact CD-OE2 3.48Å; R888-E891 WeakPolarHBondContact O-CB 3.45Å; R888-E891 PolarHBondContact O-N 3.15Å; R888-E891 VanDerWaalsContact O-N 3.1Å; E891-R905 WeakPolarHBondContact OE2-CD 3.48Å | ||
| 892 | Y | 95.3 | Very high | 88.4 | Confident | 21 Ų | 21 | 53 Ų | 53 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 145.6 | 176.3 | -63.8 | -90.3 | 0 | 0 | 0 | 111.9 | H848 L851 Y857 V880 R881 L882 I906 I930 | H848-Y892 AromaticContact CE1-CZ 3.68Å; H848-Y892 PolarHBondContact CE1-OH 2.93Å; H848-Y892 AromaticContact ND1-CZ 3.96Å; H848-Y892 PolarHBondContact ND1-OH 2.85Å; L851-Y892 HydrophobicContact CD1-CE1 3.9Å; L851-Y892 VanDerWaalsContact CD1-OH 3.26Å; L851-Y892 WeakPolarHBondContact CD1-OH 3.22Å; Y857-Y892 HydrophobicContact CE2-CD1 4.11Å; Y857-Y892 AromaticContact CE2-CE1 3.72Å; Y857-Y892 HydrophobicContact CE2-CE1 3.72Å; V880-Y892 HydrophobicContact CG1-CD1 4.06Å; R881-Y892 CarbonylContact O-C 3.49Å; R881-Y892 WeakPolarHBondContact O-CA 3.38Å; L882-Y892 HydrophobicContact CD1-CD1 3.93Å; L882-Y892 HydrophobicContact CD1-CD2 4.28Å; L882-Y892 HydrophobicContact CD1-CE1 3.79Å; L882-Y892 HydrophobicContact CD1-CE2 4.14Å; L882-Y892 HydrophobicContact CD1-CG 4.19Å; Y892-I906 PolarHBondContact O-N 2.88Å; Y892-I930 HydrophobicContact CD1-CD1 3.72Å; Y892-I930 HydrophobicContact CD2-CD1 3.35Å; Y892-I930 HydrophobicContact CE1-CD1 3.96Å; Y892-I930 HydrophobicContact CE2-CD1 3.63Å; Y892-I930 HydrophobicContact CG-CD1 3.4Å |
| 893 | S | 96.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.4 | 173.3 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | V880 R881 I904 | V880-S893 WeakPolarHBondContact CA-O 3.48Å; R881-S893 WeakPolarHBondContact CG-O 3.31Å; R881-S893 PolarHBondContact N-O 3.24Å; R881-S893 PolarHBondContact O-N 3.39Å; S893-I904 CarbonylContact C-O 3.39Å; S893-I904 WeakPolarHBondContact CA-O 3.44Å |
| 894 | L | 97.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.6 | 168.4 | 174.4 | 64.3 | 0 | 0 | 0 | 108.4 | F878 V880 H903 I904 I906 L921 I934 L942 L953 | F878-L894 HydrophobicContact CB-CD1 4.3Å; F878-L894 HydrophobicContact CD2-CD1 3.83Å; F878-L894 HydrophobicContact CG-CD1 4.48Å; V880-L894 HydrophobicContact CG2-CD1 4.15Å; L894-H903 CarbonylContact O-C 3.49Å; L894-H903 WeakPolarHBondContact O-CA 3.46Å; L894-I904 HydrophobicContact CB-CB 4.39Å; L894-I904 HydrophobicContact CD2-CD1 4.45Å; L894-I904 PolarHBondContact N-O 3.07Å; L894-I904 PolarHBondContact O-N 2.93Å; L894-I906 HydrophobicContact CB-CD1 4.29Å; L894-I906 HydrophobicContact CB-CG1 4.18Å; L894-L921 HydrophobicContact CB-CD2 4.49Å; L894-L921 HydrophobicContact CD2-CD1 3.83Å; L894-L921 HydrophobicContact CD2-CD2 4.02Å; L894-I934 HydrophobicContact CD1-CD1 4.06Å; L894-L942 HydrophobicContact CD2-CD2 4.33Å; L894-L953 HydrophobicContact CD1-CD1 4.17Å; L894-L953 HydrophobicContact CD1-CD2 4.09Å; L894-L953 HydrophobicContact CD2-CD1 4.21Å; L894-L953 HydrophobicContact CD2-CD2 4.13Å |
| 895 | S | 97.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126 | 172.2 | -51.9 | 0 | 0 | 0 | 0 | 108.6 | F878 L879 R881 R902 H903 | F878-S895 CarbonylContact C-O 3.6Å; F878-S895 WeakPolarHBondContact CA-O 3.16Å; F878-S895 WeakPolarHBondContact CB-O 3.48Å; L879-S895 PolarHBondContact N-O 3.32Å; L879-S895 PolarHBondContact O-N 2.74Å; R881-S895 PolarHBondContact NE-OG 3.34Å; S895-R902 CarbonylContact C-O 3.57Å; S895-R902 VanDerWaalsContact CA-O 3.25Å; S895-R902 WeakPolarHBondContact CA-O 3.38Å; S895-H903 WeakPolarHBondContact CB-ND1 3.49Å; S895-H903 PolarHBondContact OG-ND1 3.43Å |
| 896 | V | 97.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.1 | -173.7 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | T877 F878 R902 I904 L942 I951 L953 | T877-V896 CarbonylContact O-C 3.53Å; T877-V896 WeakPolarHBondContact O-CA 3.39Å; F878-V896 HydrophobicContact CB-CB 4Å; F878-V896 HydrophobicContact CB-CG2 4.04Å; V896-R902 HydrophobicContact CG1-CB 4.38Å; V896-R902 PolarHBondContact N-O 3.47Å; V896-R902 PolarHBondContact O-N 3.49Å; V896-I904 HydrophobicContact CG1-CD1 4.42Å; V896-L942 HydrophobicContact CB-CD1 4.47Å; V896-L942 HydrophobicContact CG1-CD1 3.77Å; V896-L942 HydrophobicContact CG2-CD1 4.36Å; V896-I951 HydrophobicContact CG2-CG2 4.13Å; V896-L953 HydrophobicContact CB-CD2 4.31Å; V896-L953 HydrophobicContact CG2-CD2 4.03Å |
| 897 | V | 96 | Very high | 90.7 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | L870 C873 D875 G876 T877 | L870-V897 HydrophobicContact CB-CG2 3.74Å; L870-V897 HydrophobicContact CD1-CG2 4.32Å; L870-V897 HydrophobicContact CD2-CG2 4.02Å; L870-V897 HydrophobicContact CG-CG2 4.24Å; C873-V897 HydrophobicContact CB-CG2 4.01Å; D875-V897 WeakPolarHBondContact CA-O 3.5Å; G876-V897 PolarHBondContact N-O 3.03Å; T877-V897 PolarHBondContact O-N 3.23Å |
| 898 | Y | 93.8 | Very high | 91.4 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -151.2 | 93.2 | 168.9 | -177 | -120.6 | 0 | 0 | 0 | 109.3 | D875 H900 R902 E948 V949 I951 | D875-Y898 WeakPolarHBondContact OD1-CA 3.42Å; Y898-H900 PolarHBondContact N-O 3.26Å; Y898-H900 VanDerWaalsContact N-O 3.13Å; Y898-H900 PolarHBondContact O-N 2.84Å; Y898-R902 PolarHBondContact O-NH2 2.87Å; Y898-E948 WeakPolarHBondContact CE1-O 3.49Å; Y898-V949 HydrophobicContact CD1-CG1 4.34Å; Y898-I951 HydrophobicContact CD2-CB 3.83Å; Y898-I951 HydrophobicContact CD2-CD1 4.29Å; Y898-I951 HydrophobicContact CD2-CG1 4.26Å; Y898-I951 HydrophobicContact CD2-CG2 4.34Å; Y898-I951 HydrophobicContact CE2-CB 4.38Å; Y898-I951 HydrophobicContact CG-CB 4.29Å; Y898-I951 HydrophobicContact CG-CG2 4.31Å |
| 899 | G | 90.7 | Very high | 92 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 71% | 0.711 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 71.8 | -48.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D875 | D875-G899 PolarHBondContact OD1-N 2.85Š|
| 900 | H | 89.4 | Confident | 92.4 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -140.5 | 163.9 | 169.3 | 61.9 | 78.5 | 0 | 0 | 0 | 110.1 | Y898 R902 | Y898-H900 PolarHBondContact N-O 3.26Å; Y898-H900 VanDerWaalsContact N-O 3.13Å; Y898-H900 PolarHBondContact O-N 2.84Å; H900-R902 VanDerWaalsContact CE1-CZ 3.49Å; H900-R902 PolarHBondContact CE1-NH1 3.3Å; H900-R902 PolarHBondContact NE2-NH1 2.92Å; H900-R902 PolarHBondContact NE2-NH2 2.91Å; H900-R902 PolarHBondContact O-N 2.72Å |
| 901 | P | 93.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 14% | 0.143 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 125.7 | 174.5 | -25.6 | 35.5 | 0 | 0 | 0 | 111.8 | V867 L870 | V867-P901 HydrophobicContact CG2-CB 4.47Å; L870-P901 HydrophobicContact CB-CB 4.07Å; L870-P901 HydrophobicContact CB-CG 3.73Å; L870-P901 HydrophobicContact CD1-CB 4.38Å |
| 902 | R | 94.4 | Very high | 91.6 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.2 | 172.8 | -58.6 | -162.9 | -169.6 | -88.5 | -9.1 | 109.5 | S895 V896 Y898 H900 | S895-R902 CarbonylContact C-O 3.57Å; S895-R902 VanDerWaalsContact CA-O 3.25Å; S895-R902 WeakPolarHBondContact CA-O 3.38Å; V896-R902 HydrophobicContact CG1-CB 4.38Å; V896-R902 PolarHBondContact N-O 3.47Å; V896-R902 PolarHBondContact O-N 3.49Å; Y898-R902 PolarHBondContact O-NH2 2.87Å; H900-R902 VanDerWaalsContact CE1-CZ 3.49Å; H900-R902 PolarHBondContact CE1-NH1 3.3Å; H900-R902 PolarHBondContact NE2-NH1 2.92Å; H900-R902 PolarHBondContact NE2-NH2 2.91Å; H900-R902 PolarHBondContact O-N 2.72Å |
| 903 | H | 94.8 | Very high | 90.6 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 118.4 | -175.7 | -51 | -87.2 | 0 | 0 | 0 | 110.3 | R863 V867 L894 S895 | R863-H903 PolarHBondContact NE-CD2 3.42Å; R863-H903 VanDerWaalsContact NE-CD2 3.28Å; R863-H903 PolarHBondContact NH2-CD2 2.8Å; V867-H903 WeakPolarHBondContact CG2-NE2 3.35Å; L894-H903 CarbonylContact O-C 3.49Å; L894-H903 WeakPolarHBondContact O-CA 3.46Å; S895-H903 WeakPolarHBondContact CB-ND1 3.49Å; S895-H903 PolarHBondContact OG-ND1 3.43Å |
| 904 | I | 94.7 | Very high | 89.1 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.077 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.1 | -174.7 | -60.5 | 163.9 | 0 | 0 | 0 | 108.2 | S893 L894 V896 L921 L942 F946 | S893-I904 CarbonylContact C-O 3.39Å; S893-I904 WeakPolarHBondContact CA-O 3.44Å; L894-I904 HydrophobicContact CB-CB 4.39Å; L894-I904 HydrophobicContact CD2-CD1 4.45Å; L894-I904 PolarHBondContact N-O 3.07Å; L894-I904 PolarHBondContact O-N 2.93Å; V896-I904 HydrophobicContact CG1-CD1 4.42Å; I904-L921 HydrophobicContact CG2-CB 4.14Å; I904-L921 HydrophobicContact CG2-CD1 4.47Å; I904-L921 HydrophobicContact CG2-CD2 3.98Å; I904-L921 HydrophobicContact CG2-CG 4.42Å; I904-L942 HydrophobicContact CD1-CD1 4.15Å; I904-L942 HydrophobicContact CD1-CD2 4.41Å; I904-F946 HydrophobicContact CB-CZ 4.45Å; I904-F946 HydrophobicContact CD1-CD2 3.85Å; I904-F946 HydrophobicContact CD1-CE2 3.75Å; I904-F946 HydrophobicContact CD1-CZ 4.41Å; I904-F946 HydrophobicContact CG1-CD2 4.46Å; I904-F946 HydrophobicContact CG1-CE2 4.14Å; I904-F946 HydrophobicContact CG1-CZ 4.31Å; I904-F946 HydrophobicContact CG2-CE1 4.23Å; I904-F946 HydrophobicContact CG2-CE2 3.59Å; I904-F946 HydrophobicContact CG2-CZ 3.34Å |
| 905 | R | 93.5 | Very high | 88.1 | Confident | 125 Ų | 125 | 61.7 Ų | 61.7 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 131.1 | 175 | -177.4 | 173.2 | 62.3 | 176 | 0.6 | 109.5 | E891 Q907 | E891-R905 WeakPolarHBondContact OE2-CD 3.48Å; R905-Q907 PolarHBondContact O-N 3.2Å |
| 906 | I | 95.4 | Very high | 87.2 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | trans | -84.9 | 109 | 168.9 | -53.6 | -177.6 | 0 | 0 | 0 | 106.6 | V880 Y892 L894 Y919 L921 I930 | V880-I906 HydrophobicContact CG1-CD1 3.86Å; V880-I906 HydrophobicContact CG2-CD1 4.29Å; Y892-I906 PolarHBondContact O-N 2.88Å; L894-I906 HydrophobicContact CB-CD1 4.29Å; L894-I906 HydrophobicContact CB-CG1 4.18Å; I906-Y919 HydrophobicContact CG2-CD1 4.38Å; I906-L921 HydrophobicContact CG1-CD2 3.95Å; I906-I930 HydrophobicContact CD1-CG2 4.03Å; I906-I930 HydrophobicContact CG2-CG1 4.38Å | ||
| 907 | Q | 92.7 | Very high | 86.7 | Confident | 52 Ų | 52 | 68 Ų | 68 | 24% | 0.243 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 144.3 | -177.2 | -54.8 | -172.9 | 29.3 | 0 | 0 | 110 | R905 F909 Y919 G920 L921 | R905-Q907 PolarHBondContact O-N 3.2Å; Q907-F909 HydrophobicContact CB-CE1 4.13Å; Q907-F909 HydrophobicContact CB-CE2 3.77Å; Q907-F909 HydrophobicContact CB-CZ 3.51Å; Q907-F909 HydrophobicContact CG-CZ 4.32Å; Q907-Y919 CarbonylContact O-C 3.43Å; Q907-Y919 VanDerWaalsContact O-CA 3.26Å; Q907-Y919 WeakPolarHBondContact O-CA 3.44Å; Q907-G920 PolarHBondContact N-O 3.39Å; Q907-G920 PolarHBondContact O-N 3.39Å; Q907-L921 PolarHBondContact NE2-O 3.14Å |
| 908 | R | 90 | Very high | 86.5 | Confident | 123 Ų | 123 | 69.2 Ų | 69.2 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.6 | 174.3 | -176.1 | -175.2 | -171.6 | 138.1 | 9.5 | 107.8 | D846 I917 T918 Y919 | D846-R908 IonicContact OD1-NH2 3.84Å; D846-R908 PolarHBondContact OD1-NH2 3.29Å; D846-R908 IonicContact OD2-CZ 3.35Å; D846-R908 IonicContact OD2-NH1 2.77Å; D846-R908 PolarHBondContact OD2-NH1 3.22Å; D846-R908 IonicContact OD2-NH2 3.75Å; D846-R908 PolarHBondContact OD2-NH2 3.09Å; R908-I917 HydrophobicContact CG-CG2 3.51Å; R908-T918 WeakPolarHBondContact CA-O 3.45Å; R908-Y919 HydrophobicContact CB-CD1 4.43Å; R908-Y919 HydrophobicContact CB-CE1 4.28Å; R908-Y919 HydrophobicContact CG-CE1 4.11Å |
| 909 | F | 88.9 | Confident | 86.5 | Confident | 27 Ų | 27 | 67 Ų | 67 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.7 | 178.2 | -54.1 | -78.6 | 0 | 0 | 0 | 109 | Q907 I917 T918 C922 E923 Q926 | Q907-F909 HydrophobicContact CB-CE1 4.13Å; Q907-F909 HydrophobicContact CB-CE2 3.77Å; Q907-F909 HydrophobicContact CB-CZ 3.51Å; Q907-F909 HydrophobicContact CG-CZ 4.32Å; F909-I917 WeakPolarHBondContact O-CA 2.81Å; F909-T918 WeakPolarHBondContact CB-OG1 3.34Å; F909-T918 PolarHBondContact N-O 3.37Å; F909-T918 PolarHBondContact O-N 2.89Å; F909-T918 PolarHBondContact O-OG1 3.07Å; F909-C922 WeakPolarHBondContact CZ-O 3.37Å; F909-E923 HydrophobicContact CD1-CG 4.41Å; F909-E923 HydrophobicContact CE1-CB 4.36Å; F909-E923 HydrophobicContact CE1-CG 3.49Å; F909-E923 VanDerWaalsContact CE1-CG 3.49Å; F909-E923 HydrophobicContact CZ-CB 4.48Å; F909-E923 HydrophobicContact CZ-CG 3.97Å; F909-Q926 HydrophobicContact CD2-CB 4.43Å; F909-Q926 HydrophobicContact CD2-CG 3.65Å; F909-Q926 HydrophobicContact CE2-CG 3.96Å; F909-Q926 HydrophobicContact CG-CG 4.22Å |
| 910 | S | 82.9 | Confident | 86.6 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 53% | 0.531 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.9 | 172 | 52.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 911 | S | 75.2 | Confident | 86.8 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | trans | -60.1 | 155.1 | 169.5 | -167.9 | 0 | 0 | 0 | 0 | 110.7 | D913 N914 C916 | S911-D913 PolarHBondContact O-N 2.97Å; S911-N914 WeakPolarHBondContact O-CA 3.49Å; S911-N914 PolarHBondContact O-N 3.28Å; S911-C916 PolarHBondContact N-O 3.4Å | ||
| 912 | S | 74.3 | Confident | 86.5 | Confident | 111 Ų | 111 | 59 Ų | 59 | 78% | 0.776 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -32.4 | -178.1 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | N914 | S912-N914 VanDerWaalsContact C-N 3.32Š|
| 913 | D | 74.2 | Confident | 85.7 | Confident | 133 Ų | 133 | 63.3 Ų | 63.3 | 71% | 0.711 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 5.7 | -178 | -61.3 | -1.8 | 0 | 0 | 0 | 112.5 | S911 S915 | S911-D913 PolarHBondContact O-N 2.97Å; D913-S915 PolarHBondContact O-N 3.24Å |
| 914 | N | 65.2 | Low | 84.8 | Confident | 126 Ų | 126 | 67.3 Ų | 67.3 | 67% | 0.674 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 51.7 | 21.7 | -171.3 | -74.8 | -32 | 0 | 0 | 0 | 114.2 | S911 S912 | S911-N914 WeakPolarHBondContact O-CA 3.49Å; S911-N914 PolarHBondContact O-N 3.28Å; S912-N914 VanDerWaalsContact C-N 3.32Å |
| 915 | S | 76 | Confident | 84.1 | Confident | 97 Ų | 97 | 68.1 Ų | 68.1 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -81 | -24.8 | -175.9 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | D913 | D913-S915 PolarHBondContact O-N 3.24Š|
| 916 | C | 79.3 | Confident | 83.9 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 47% | 0.473 | 37% | 0.367 | S | S | . | . | trans | -145.3 | 147.1 | -176.4 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | S911 | S911-C916 PolarHBondContact N-O 3.4Š| ||
| 917 | I | 86.2 | Confident | 83.9 | Confident | 63 Ų | 63 | 68 Ų | 68 | 32% | 0.323 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.4 | -179.8 | -62 | 179.2 | 0 | 0 | 0 | 107.9 | R908 F909 Y919 | R908-I917 HydrophobicContact CG-CG2 3.51Å; F909-I917 WeakPolarHBondContact O-CA 2.81Å; I917-Y919 HydrophobicContact CG2-CE2 4.18Å |
| 918 | T | 92.2 | Very high | 83.8 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 166.1 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | R908 F909 Q926 F927 | R908-T918 WeakPolarHBondContact CA-O 3.45Å; F909-T918 WeakPolarHBondContact CB-OG1 3.34Å; F909-T918 PolarHBondContact N-O 3.37Å; F909-T918 PolarHBondContact O-N 2.89Å; F909-T918 PolarHBondContact O-OG1 3.07Å; T918-Q926 PolarHBondContact OG1-OE1 3.4Å; T918-F927 CarbonylContact C-O 3.31Å; T918-F927 VanDerWaalsContact CA-O 3.27Å; T918-F927 WeakPolarHBondContact CA-O 3.06Å; T918-F927 WeakPolarHBondContact CB-O 3.44Å |
| 919 | Y | 94.2 | Very high | 83.9 | Confident | 26 Ų | 26 | 67 Ų | 67 | 10% | 0.102 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144 | -176.1 | -63.9 | -91 | 0 | 0 | 0 | 110.5 | I906 Q907 R908 I917 Q926 F927 I930 | I906-Y919 HydrophobicContact CG2-CD1 4.38Å; Q907-Y919 CarbonylContact O-C 3.43Å; Q907-Y919 VanDerWaalsContact O-CA 3.26Å; Q907-Y919 WeakPolarHBondContact O-CA 3.44Å; R908-Y919 HydrophobicContact CB-CD1 4.43Å; R908-Y919 HydrophobicContact CB-CE1 4.28Å; R908-Y919 HydrophobicContact CG-CE1 4.11Å; I917-Y919 HydrophobicContact CG2-CE2 4.18Å; Y919-Q926 CarbonylContact O-C 3.58Å; Y919-F927 PolarHBondContact N-O 3.2Å; Y919-F927 WeakPolarHBondContact O-CD2 3.36Å; Y919-F927 PolarHBondContact O-N 2.82Å; Y919-I930 HydrophobicContact CD1-CD1 4.42Å; Y919-I930 HydrophobicContact CD1-CG1 3.96Å; Y919-I930 HydrophobicContact CE1-CD1 4.47Å; Y919-I930 HydrophobicContact CE1-CG1 4.36Å; Y919-I930 HydrophobicContact CG-CG1 4.11Å |
| 920 | G | 92.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 167.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q907 E925 | Q907-G920 PolarHBondContact N-O 3.39Å; Q907-G920 PolarHBondContact O-N 3.39Å; G920-E925 WeakPolarHBondContact CA-O 3.48Å |
| 921 | L | 93 | Very high | 84.8 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -85.1 | -25.6 | 173.8 | -56.5 | -174.7 | 0 | 0 | 0 | 111.7 | L894 I904 I906 Q907 V933 Y937 L942 F946 | L894-L921 HydrophobicContact CB-CD2 4.49Å; L894-L921 HydrophobicContact CD2-CD1 3.83Å; L894-L921 HydrophobicContact CD2-CD2 4.02Å; I904-L921 HydrophobicContact CG2-CB 4.14Å; I904-L921 HydrophobicContact CG2-CD1 4.47Å; I904-L921 HydrophobicContact CG2-CD2 3.98Å; I904-L921 HydrophobicContact CG2-CG 4.42Å; I906-L921 HydrophobicContact CG1-CD2 3.95Å; Q907-L921 PolarHBondContact NE2-O 3.14Å; L921-V933 HydrophobicContact CD2-CG1 4.02Å; L921-V933 HydrophobicContact CG-CG1 4.05Å; L921-Y937 HydrophobicContact CB-CE2 4.36Å; L921-Y937 HydrophobicContact CD1-CD1 4.47Å; L921-Y937 HydrophobicContact CD1-CD2 3.54Å; L921-Y937 HydrophobicContact CD1-CE1 4.41Å; L921-Y937 HydrophobicContact CD1-CE2 3.45Å; L921-Y937 VanDerWaalsContact CD1-CE2 3.45Å; L921-Y937 HydrophobicContact CD1-CG 4.08Å; L921-Y937 HydrophobicContact CG-CD2 4.08Å; L921-Y937 HydrophobicContact CG-CE2 3.63Å; L921-L942 HydrophobicContact CD1-CD2 3.37Å; L921-F946 HydrophobicContact CB-CE2 3.82Å; L921-F946 HydrophobicContact CB-CZ 4.01Å; L921-F946 HydrophobicContact CD1-CE2 4.21Å |
| 922 | C | 85.6 | Confident | 85.7 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 12% | 0.122 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -145.7 | 175.5 | 171.7 | 71.4 | 0 | 0 | 0 | 0 | 109.7 | F909 L924 C945 | F909-C922 WeakPolarHBondContact CZ-O 3.37Å; C922-L924 PolarHBondContact O-N 3.39Å; C922-L924 VanDerWaalsContact SG-CB 3.53Å; C922-L924 PolarHBondContact SG-N 3.32Å; C922-C945 HydrophobicContact CB-CB 4.38Å; C922-C945 PolarHBondContact SG-SG 2.75Å |
| 923 | E | 79.6 | Confident | 86.8 | Confident | 147 Ų | 147 | 58 Ų | 58 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.1 | 179.4 | -74.8 | 176.4 | -171.9 | 0 | 0 | 113.8 | F909 E925 | F909-E923 HydrophobicContact CD1-CG 4.41Å; F909-E923 HydrophobicContact CE1-CB 4.36Å; F909-E923 HydrophobicContact CE1-CG 3.49Å; F909-E923 VanDerWaalsContact CE1-CG 3.49Å; F909-E923 HydrophobicContact CZ-CB 4.48Å; F909-E923 HydrophobicContact CZ-CG 3.97Å; E923-E925 VanDerWaalsContact C-N 3.35Å; E923-E925 PolarHBondContact O-N 3.25Å |
| 924 | L | 74.1 | Confident | 87.8 | Confident | 113 Ų | 113 | 52 Ų | 52 | 59% | 0.592 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -31.1 | -174.5 | -57.9 | 173.5 | 0 | 0 | 0 | 113.2 | C922 | C922-L924 PolarHBondContact O-N 3.39Å; C922-L924 VanDerWaalsContact SG-CB 3.53Å; C922-L924 PolarHBondContact SG-N 3.32Å |
| 925 | E | 81.3 | Confident | 89.2 | Confident | 32 Ų | 32 | 50 Ų | 50 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | trans | -136.5 | 114.3 | -175.8 | -67 | -171.5 | 149.5 | 0 | 0 | 110.5 | G920 E923 F927 Y937 R944 | G920-E925 WeakPolarHBondContact CA-O 3.48Å; E923-E925 VanDerWaalsContact C-N 3.35Å; E923-E925 PolarHBondContact O-N 3.25Å; E925-F927 HydrophobicContact CB-CE2 3.76Å; E925-F927 HydrophobicContact CB-CZ 3.97Å; E925-Y937 PolarHBondContact OE2-OH 2.98Å; E925-R944 IonicContact OE1-CZ 2.68Å; E925-R944 IonicContact OE1-NE 3.67Å; E925-R944 PolarHBondContact OE1-NE 3.48Å; E925-R944 IonicContact OE1-NH1 3.17Å; E925-R944 IonicContact OE1-NH2 2.88Å; E925-R944 PolarHBondContact OE1-NH2 3.17Å; E925-R944 VanDerWaalsContact OE1-NH2 3.08Å | ||
| 926 | Q | 89.6 | Confident | 90 | Very high | 100 Ų | 100 | 47.1 Ų | 47.1 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | trans | -118.6 | 135.7 | -178.4 | -55.7 | -178 | 21.1 | 0 | 0 | 110 | F909 T918 Y919 | F909-Q926 HydrophobicContact CD2-CB 4.43Å; F909-Q926 HydrophobicContact CD2-CG 3.65Å; F909-Q926 HydrophobicContact CE2-CG 3.96Å; F909-Q926 HydrophobicContact CG-CG 4.22Å; T918-Q926 PolarHBondContact OG1-OE1 3.4Å; Y919-Q926 CarbonylContact O-C 3.58Å | ||
| 927 | F | 93.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -123.5 | 152.3 | -173.5 | -58.1 | -88.3 | 0 | 0 | 0 | 109.7 | T918 Y919 E925 N929 C932 V933 N936 Y937 | T918-F927 CarbonylContact C-O 3.31Å; T918-F927 VanDerWaalsContact CA-O 3.27Å; T918-F927 WeakPolarHBondContact CA-O 3.06Å; T918-F927 WeakPolarHBondContact CB-O 3.44Å; Y919-F927 PolarHBondContact N-O 3.2Å; Y919-F927 WeakPolarHBondContact O-CD2 3.36Å; Y919-F927 PolarHBondContact O-N 2.82Å; E925-F927 HydrophobicContact CB-CE2 3.76Å; E925-F927 HydrophobicContact CB-CZ 3.97Å; F927-N929 VanDerWaalsContact C-N 3.26Å; F927-N929 PolarHBondContact O-N 3.24Å; F927-C932 HydrophobicContact CB-CB 3.96Å; F927-C932 HydrophobicContact CD1-CB 4.31Å; F927-V933 HydrophobicContact CB-CG2 3.78Å; F927-V933 HydrophobicContact CD2-CB 4.22Å; F927-V933 HydrophobicContact CD2-CG1 4.46Å; F927-V933 HydrophobicContact CD2-CG2 3.68Å; F927-V933 HydrophobicContact CG-CG2 3.96Å; F927-N936 HydrophobicContact CD1-CB 4.41Å; F927-N936 HydrophobicContact CE1-CB 3.53Å; F927-N936 HydrophobicContact CZ-CB 3.69Å; F927-N936 VanDerWaalsContact CZ-ND2 3.33Å; F927-N936 WeakPolarHBondContact CZ-ND2 3.32Å; F927-Y937 HydrophobicContact CE2-CE2 4.08Å; F927-Y937 HydrophobicContact CZ-CE2 4.49Å |
| 928 | P | 91.6 | Very high | 91.1 | Very high | 87 Ų | 87 | 42.9 Ų | 42.9 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -67.2 | -24.5 | -176.8 | 25.7 | -34.7 | 0 | 0 | 0 | 113.7 | C932 | P928-C932 HydrophobicContact CG-CB 4.31Š|
| 929 | N | 92.1 | Very high | 90.9 | Very high | 66 Ų | 66 | 48.1 Ų | 48.1 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -158.2 | 165.4 | 178.9 | 56.9 | 57.8 | 0 | 0 | 0 | 111.2 | F927 P931 C932 V933 | F927-N929 VanDerWaalsContact C-N 3.26Å; F927-N929 PolarHBondContact O-N 3.24Å; N929-P931 VanDerWaalsContact OD1-CD 3.31Å; N929-P931 WeakPolarHBondContact OD1-CD 3.48Å; N929-C932 WeakPolarHBondContact O-CB 3.25Å; N929-C932 PolarHBondContact O-N 3.12Å; N929-C932 PolarHBondContact OD1-N 3.41Å; N929-C932 PolarHBondContact OD1-SG 2.9Å; N929-V933 PolarHBondContact O-N 3.44Å |
| 930 | I | 94.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -43.5 | -178.4 | -60.8 | 173.8 | 0 | 0 | 0 | 112.7 | L851 W856 V880 Y892 I906 Y919 C932 V933 I934 | L851-I930 HydrophobicContact CD2-CB 4.21Å; L851-I930 HydrophobicContact CD2-CD1 4.42Å; L851-I930 HydrophobicContact CD2-CG2 4.19Å; W856-I930 HydrophobicContact CH2-CG2 3.82Å; W856-I930 HydrophobicContact CZ3-CG2 4Å; V880-I930 HydrophobicContact CG1-CG2 4.41Å; Y892-I930 HydrophobicContact CD1-CD1 3.72Å; Y892-I930 HydrophobicContact CD2-CD1 3.35Å; Y892-I930 HydrophobicContact CE1-CD1 3.96Å; Y892-I930 HydrophobicContact CE2-CD1 3.63Å; Y892-I930 HydrophobicContact CG-CD1 3.4Å; I906-I930 HydrophobicContact CD1-CG2 4.03Å; I906-I930 HydrophobicContact CG2-CG1 4.38Å; Y919-I930 HydrophobicContact CD1-CD1 4.42Å; Y919-I930 HydrophobicContact CD1-CG1 3.96Å; Y919-I930 HydrophobicContact CE1-CD1 4.47Å; Y919-I930 HydrophobicContact CE1-CG1 4.36Å; Y919-I930 HydrophobicContact CG-CG1 4.11Å; I930-C932 PolarHBondContact O-N 3.33Å; I930-V933 WeakPolarHBondContact O-CA 3.47Å; I930-V933 VanDerWaalsContact O-CB 3.26Å; I930-V933 WeakPolarHBondContact O-CB 3.45Å; I930-V933 PolarHBondContact O-N 3.37Å; I930-I934 HydrophobicContact CG2-CG1 4.28Å; I930-I934 WeakPolarHBondContact O-CG1 3.5Å; I930-I934 PolarHBondContact O-N 3.19Å |
| 931 | P | 95.8 | Very high | 90.4 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53.2 | -38.8 | 174.3 | -29.8 | 36 | 0 | 0 | 0 | 114.2 | Y854 W856 N929 I934 D935 | Y854-P931 HydrophobicContact CD2-CG 4.44Å; Y854-P931 HydrophobicContact CE1-CB 4.12Å; Y854-P931 HydrophobicContact CE1-CG 4.3Å; Y854-P931 HydrophobicContact CE2-CB 4.41Å; Y854-P931 HydrophobicContact CE2-CG 3.73Å; W856-P931 HydrophobicContact CH2-CG 4.27Å; W856-P931 HydrophobicContact CZ2-CB 4.31Å; W856-P931 HydrophobicContact CZ2-CG 4.22Å; N929-P931 VanDerWaalsContact OD1-CD 3.31Å; N929-P931 WeakPolarHBondContact OD1-CD 3.48Å; P931-I934 PolarHBondContact O-N 3.38Å; P931-D935 WeakPolarHBondContact O-CB 3.46Å; P931-D935 PolarHBondContact O-N 3.17Å |
| 932 | C | 95.2 | Very high | 90.3 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 173.9 | -69.4 | 0 | 0 | 0 | 0 | 113.1 | F927 P928 N929 I930 I934 N936 | F927-C932 HydrophobicContact CB-CB 3.96Å; F927-C932 HydrophobicContact CD1-CB 4.31Å; P928-C932 HydrophobicContact CG-CB 4.31Å; N929-C932 WeakPolarHBondContact O-CB 3.25Å; N929-C932 PolarHBondContact O-N 3.12Å; N929-C932 PolarHBondContact OD1-N 3.41Å; N929-C932 PolarHBondContact OD1-SG 2.9Å; I930-C932 PolarHBondContact O-N 3.33Å; C932-I934 VanDerWaalsContact C-N 3.34Å; C932-N936 WeakPolarHBondContact O-CB 3.38Å; C932-N936 PolarHBondContact O-N 3.36Å; C932-N936 VanDerWaalsContact O-N 3.08Å |
| 933 | V | 95.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 172.1 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | L921 F927 N929 I930 N936 Y937 | L921-V933 HydrophobicContact CD2-CG1 4.02Å; L921-V933 HydrophobicContact CG-CG1 4.05Å; F927-V933 HydrophobicContact CB-CG2 3.78Å; F927-V933 HydrophobicContact CD2-CB 4.22Å; F927-V933 HydrophobicContact CD2-CG1 4.46Å; F927-V933 HydrophobicContact CD2-CG2 3.68Å; F927-V933 HydrophobicContact CG-CG2 3.96Å; N929-V933 PolarHBondContact O-N 3.44Å; I930-V933 WeakPolarHBondContact O-CA 3.47Å; I930-V933 VanDerWaalsContact O-CB 3.26Å; I930-V933 WeakPolarHBondContact O-CB 3.45Å; I930-V933 PolarHBondContact O-N 3.37Å; V933-N936 PolarHBondContact O-N 3.3Å; V933-Y937 HydrophobicContact CG1-CD2 3.84Å; V933-Y937 HydrophobicContact CG1-CE2 3.9Å; V933-Y937 VanDerWaalsContact O-CD2 3.22Å; V933-Y937 WeakPolarHBondContact O-CD2 3.48Å; V933-Y937 PolarHBondContact O-N 3.44Å; V933-Y937 VanDerWaalsContact O-N 3.14Å |
| 934 | I | 96.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -43.3 | -177.8 | -57.8 | -54.4 | 0 | 0 | 0 | 111.6 | W856 F878 V880 L894 I930 P931 C932 N936 Y937 S938 L953 | W856-I934 HydrophobicContact CD2-CG1 4.28Å; W856-I934 HydrophobicContact CD2-CG2 4.35Å; W856-I934 HydrophobicContact CE3-CG1 4.32Å; W856-I934 HydrophobicContact CG-CG2 4.39Å; W856-I934 HydrophobicContact CH2-CG1 4.01Å; W856-I934 HydrophobicContact CZ2-CB 4.28Å; W856-I934 HydrophobicContact CZ2-CG1 3.97Å; W856-I934 HydrophobicContact CZ3-CG1 4.19Å; F878-I934 HydrophobicContact CE2-CD1 4.43Å; F878-I934 HydrophobicContact CE2-CG2 3.6Å; F878-I934 HydrophobicContact CZ-CG2 3.78Å; V880-I934 HydrophobicContact CG2-CD1 3.6Å; V880-I934 HydrophobicContact CG2-CG1 4.13Å; L894-I934 HydrophobicContact CD1-CD1 4.06Å; I930-I934 HydrophobicContact CG2-CG1 4.28Å; I930-I934 WeakPolarHBondContact O-CG1 3.5Å; I930-I934 PolarHBondContact O-N 3.19Å; P931-I934 PolarHBondContact O-N 3.38Å; C932-I934 VanDerWaalsContact C-N 3.34Å; I934-N936 VanDerWaalsContact C-N 3.3Å; I934-N936 PolarHBondContact O-N 2.92Å; I934-Y937 PolarHBondContact O-N 3.43Å; I934-S938 WeakPolarHBondContact O-CB 3.32Å; I934-S938 PolarHBondContact O-N 2.93Å; I934-L953 HydrophobicContact CD1-CD1 3.8Å; I934-L953 HydrophobicContact CG2-CD1 4.14Å |
| 935 | D | 93.9 | Very high | 91 | Very high | 86 Ų | 86 | 46.8 Ų | 46.8 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.2 | -39.2 | 176.9 | -179.3 | 69.6 | 0 | 0 | 0 | 111.9 | P931 S938 K939 | P931-D935 WeakPolarHBondContact O-CB 3.46Å; P931-D935 PolarHBondContact O-N 3.17Å; D935-S938 PolarHBondContact O-OG 3.43Å; D935-K939 WeakPolarHBondContact OD1-CE 3.41Å; D935-K939 IonicContact OD1-NZ 2.56Å; D935-K939 PolarHBondContact OD1-NZ 3.27Å; D935-K939 IonicContact OD2-NZ 3.1Å; D935-K939 PolarHBondContact OD2-NZ 3.45Å |
| 936 | N | 93.6 | Very high | 91.3 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -54.5 | 176.4 | -176.2 | 67.1 | 0 | 0 | 0 | 112.1 | F927 C932 V933 I934 S938 K939 V940 | F927-N936 HydrophobicContact CD1-CB 4.41Å; F927-N936 HydrophobicContact CE1-CB 3.53Å; F927-N936 HydrophobicContact CZ-CB 3.69Å; F927-N936 VanDerWaalsContact CZ-ND2 3.33Å; F927-N936 WeakPolarHBondContact CZ-ND2 3.32Å; C932-N936 WeakPolarHBondContact O-CB 3.38Å; C932-N936 PolarHBondContact O-N 3.36Å; C932-N936 VanDerWaalsContact O-N 3.08Å; V933-N936 PolarHBondContact O-N 3.3Å; I934-N936 VanDerWaalsContact C-N 3.3Å; I934-N936 PolarHBondContact O-N 2.92Å; N936-S938 PolarHBondContact O-N 2.87Å; N936-K939 PolarHBondContact O-N 3.23Å; N936-V940 PolarHBondContact O-N 2.95Å |
| 937 | Y | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -75 | -5.1 | -177.6 | -65.9 | -69 | 0 | 0 | 0 | 113.8 | L921 E925 F927 V933 I934 V940 L942 C945 L953 | L921-Y937 HydrophobicContact CB-CE2 4.36Å; L921-Y937 HydrophobicContact CD1-CD1 4.47Å; L921-Y937 HydrophobicContact CD1-CD2 3.54Å; L921-Y937 HydrophobicContact CD1-CE1 4.41Å; L921-Y937 HydrophobicContact CD1-CE2 3.45Å; L921-Y937 VanDerWaalsContact CD1-CE2 3.45Å; L921-Y937 HydrophobicContact CD1-CG 4.08Å; L921-Y937 HydrophobicContact CG-CD2 4.08Å; L921-Y937 HydrophobicContact CG-CE2 3.63Å; E925-Y937 PolarHBondContact OE2-OH 2.98Å; F927-Y937 HydrophobicContact CE2-CE2 4.08Å; F927-Y937 HydrophobicContact CZ-CE2 4.49Å; V933-Y937 HydrophobicContact CG1-CD2 3.84Å; V933-Y937 HydrophobicContact CG1-CE2 3.9Å; V933-Y937 VanDerWaalsContact O-CD2 3.22Å; V933-Y937 WeakPolarHBondContact O-CD2 3.48Å; V933-Y937 PolarHBondContact O-N 3.44Å; V933-Y937 VanDerWaalsContact O-N 3.14Å; I934-Y937 PolarHBondContact O-N 3.43Å; Y937-V940 CarbonylContact C-O 3.42Å; Y937-V940 WeakPolarHBondContact CA-O 3.46Å; Y937-V940 VanDerWaalsContact O-O 3.1Å; Y937-L942 HydrophobicContact CD1-CD2 3.76Å; Y937-L942 HydrophobicContact CD2-CD2 4.46Å; Y937-L942 HydrophobicContact CE1-CD2 4.38Å; Y937-L942 HydrophobicContact CG-CD2 3.83Å; Y937-C945 PolarHBondContact OH-SG 3.24Å; Y937-L953 PolarHBondContact O-N 2.95Å |
| 938 | S | 92.4 | Very high | 90.2 | Very high | 43 Ų | 43 | 56 Ų | 56 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.2 | 164.3 | 78 | 0 | 0 | 0 | 0 | 113 | I934 D935 N936 | I934-S938 WeakPolarHBondContact O-CB 3.32Å; I934-S938 PolarHBondContact O-N 2.93Å; D935-S938 PolarHBondContact O-OG 3.43Å; N936-S938 PolarHBondContact O-N 2.87Å |
| 939 | K | 88.1 | Confident | 90 | Very high | 139 Ų | 139 | 52.2 Ų | 52.2 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -27.4 | -177.2 | -61.8 | 159.4 | -164.3 | 163 | 0 | 112.5 | D935 N936 | D935-K939 WeakPolarHBondContact OD1-CE 3.41Å; D935-K939 IonicContact OD1-NZ 2.56Å; D935-K939 PolarHBondContact OD1-NZ 3.27Å; D935-K939 IonicContact OD2-NZ 3.1Å; D935-K939 PolarHBondContact OD2-NZ 3.45Å; N936-K939 PolarHBondContact O-N 3.23Å |
| 940 | V | 85.7 | Confident | 89.9 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 22% | 0.218 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -116.1 | 132.8 | -175.7 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | N936 Y937 R944 | N936-V940 PolarHBondContact O-N 2.95Å; Y937-V940 CarbonylContact C-O 3.42Å; Y937-V940 WeakPolarHBondContact CA-O 3.46Å; Y937-V940 VanDerWaalsContact O-O 3.1Å; V940-R944 HydrophobicContact CG1-CB 4.49Å |
| 941 | S | 90 | Very high | 89.8 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | trans | -62.8 | 145.1 | -178.7 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | N943 R944 D950 I951 | S941-N943 VanDerWaalsContact CB-OD1 3.25Å; S941-N943 WeakPolarHBondContact CB-OD1 3.21Å; S941-N943 PolarHBondContact O-N 3.05Å; S941-N943 PolarHBondContact OG-N 3.15Å; S941-N943 PolarHBondContact OG-OD1 3.21Å; S941-R944 WeakPolarHBondContact O-CB 3.43Å; S941-R944 PolarHBondContact O-N 2.94Å; S941-D950 WeakPolarHBondContact CB-OD1 3.48Å; S941-D950 WeakPolarHBondContact OG-CA 3.36Å; S941-D950 PolarHBondContact OG-OD1 3.08Å; S941-I951 PolarHBondContact OG-N 2.82Å | ||
| 942 | L | 91.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -66.3 | -16.2 | 175.5 | -72.7 | 171.9 | 0 | 0 | 0 | 112.7 | L894 V896 I904 L921 Y937 R944 C945 F946 V949 I951 L953 | L894-L942 HydrophobicContact CD2-CD2 4.33Å; V896-L942 HydrophobicContact CB-CD1 4.47Å; V896-L942 HydrophobicContact CG1-CD1 3.77Å; V896-L942 HydrophobicContact CG2-CD1 4.36Å; I904-L942 HydrophobicContact CD1-CD1 4.15Å; I904-L942 HydrophobicContact CD1-CD2 4.41Å; L921-L942 HydrophobicContact CD1-CD2 3.37Å; Y937-L942 HydrophobicContact CD1-CD2 3.76Å; Y937-L942 HydrophobicContact CD2-CD2 4.46Å; Y937-L942 HydrophobicContact CE1-CD2 4.38Å; Y937-L942 HydrophobicContact CG-CD2 3.83Å; L942-R944 PolarHBondContact O-N 3.23Å; L942-C945 PolarHBondContact O-N 3.03Å; L942-F946 PolarHBondContact O-N 2.88Å; L942-V949 CarbonylContact C-O 3.44Å; L942-V949 VanDerWaalsContact C-O 3.31Å; L942-V949 HydrophobicContact CB-CB 4.25Å; L942-V949 HydrophobicContact CB-CG1 3.93Å; L942-V949 WeakPolarHBondContact CB-O 3.32Å; L942-V949 HydrophobicContact CD1-CG1 4Å; L942-I951 HydrophobicContact CD1-CG2 4.1Å; L942-I951 PolarHBondContact N-O 3.41Å; L942-L953 HydrophobicContact CD1-CD2 4.05Å |
| 943 | N | 86.5 | Confident | 89.8 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -57.2 | -24.8 | 176.4 | 69 | -4.7 | 0 | 0 | 0 | 112.7 | S941 C945 F946 V949 D950 | S941-N943 VanDerWaalsContact CB-OD1 3.25Å; S941-N943 WeakPolarHBondContact CB-OD1 3.21Å; S941-N943 PolarHBondContact O-N 3.05Å; S941-N943 PolarHBondContact OG-N 3.15Å; S941-N943 PolarHBondContact OG-OD1 3.21Å; N943-C945 PolarHBondContact O-N 3.45Å; N943-C945 VanDerWaalsContact O-N 3.15Å; N943-F946 VanDerWaalsContact CA-O 3.29Å; N943-F946 WeakPolarHBondContact CA-O 3.41Å; N943-F946 CarbonylContact O-C 3.49Å; N943-F946 PolarHBondContact O-N 3.03Å; N943-V949 WeakPolarHBondContact CA-O 3.48Å; N943-V949 PolarHBondContact N-O 2.93Å; N943-D950 HydrophobicContact CB-CB 4.14Å; N943-D950 PolarHBondContact ND2-OD1 2.96Å |
| 944 | R | 81.8 | Confident | 89.6 | Confident | 138 Ų | 138 | 55.7 Ų | 55.7 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -60.2 | -23.2 | 175 | -166.3 | 168.1 | -178.5 | 167.1 | -8.7 | 113.8 | E925 V940 S941 L942 | E925-R944 IonicContact OE1-CZ 2.68Å; E925-R944 IonicContact OE1-NE 3.67Å; E925-R944 PolarHBondContact OE1-NE 3.48Å; E925-R944 IonicContact OE1-NH1 3.17Å; E925-R944 IonicContact OE1-NH2 2.88Å; E925-R944 PolarHBondContact OE1-NH2 3.17Å; E925-R944 VanDerWaalsContact OE1-NH2 3.08Å; V940-R944 HydrophobicContact CG1-CB 4.49Å; S941-R944 WeakPolarHBondContact O-CB 3.43Å; S941-R944 PolarHBondContact O-N 2.94Å; L942-R944 PolarHBondContact O-N 3.23Å |
| 945 | C | 86.2 | Confident | 89.3 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -22.4 | 175.7 | -63 | 0 | 0 | 0 | 0 | 113 | C922 Y937 L942 N943 | C922-C945 HydrophobicContact CB-CB 4.38Å; C922-C945 PolarHBondContact SG-SG 2.75Å; Y937-C945 PolarHBondContact OH-SG 3.24Å; L942-C945 PolarHBondContact O-N 3.03Å; N943-C945 PolarHBondContact O-N 3.45Å; N943-C945 VanDerWaalsContact O-N 3.15Å |
| 946 | F | 87.5 | Confident | 89.3 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | trans | -143.7 | 92.4 | -173.4 | -49.6 | -77.9 | 0 | 0 | 0 | 109.7 | I904 L921 L942 N943 E948 V949 | I904-F946 HydrophobicContact CB-CZ 4.45Å; I904-F946 HydrophobicContact CD1-CD2 3.85Å; I904-F946 HydrophobicContact CD1-CE2 3.75Å; I904-F946 HydrophobicContact CD1-CZ 4.41Å; I904-F946 HydrophobicContact CG1-CD2 4.46Å; I904-F946 HydrophobicContact CG1-CE2 4.14Å; I904-F946 HydrophobicContact CG1-CZ 4.31Å; I904-F946 HydrophobicContact CG2-CE1 4.23Å; I904-F946 HydrophobicContact CG2-CE2 3.59Å; I904-F946 HydrophobicContact CG2-CZ 3.34Å; L921-F946 HydrophobicContact CB-CE2 3.82Å; L921-F946 HydrophobicContact CB-CZ 4.01Å; L921-F946 HydrophobicContact CD1-CE2 4.21Å; L942-F946 PolarHBondContact O-N 2.88Å; N943-F946 VanDerWaalsContact CA-O 3.29Å; N943-F946 WeakPolarHBondContact CA-O 3.41Å; N943-F946 CarbonylContact O-C 3.49Å; N943-F946 PolarHBondContact O-N 3.03Å; F946-E948 PolarHBondContact O-N 2.9Å; F946-V949 HydrophobicContact CB-CB 4.15Å; F946-V949 HydrophobicContact CB-CG2 3.87Å; F946-V949 PolarHBondContact O-N 3.18Å | ||
| 947 | D | 78.4 | Confident | 89.4 | Confident | 141 Ų | 141 | 53.6 Ų | 53.6 | 75% | 0.754 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -35.7 | -168.8 | -55.8 | -33.6 | 0 | 0 | 0 | 114.6 | V949 | D947-V949 PolarHBondContact O-N 2.94Š|
| 948 | E | 81.6 | Confident | 89.1 | Confident | 151 Ų | 151 | 56 Ų | 56 | 71% | 0.706 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 1.2 | 179 | -61.7 | 176.5 | -165.8 | 0 | 0 | 115 | Y898 F946 | Y898-E948 WeakPolarHBondContact CE1-O 3.49Å; F946-E948 PolarHBondContact O-N 2.9Å |
| 949 | V | 86.1 | Confident | 88.8 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | trans | -124.7 | 68.9 | -170.1 | -166.5 | 0 | 0 | 0 | 0 | 110.9 | Y898 L942 N943 F946 D947 I951 | Y898-V949 HydrophobicContact CD1-CG1 4.34Å; L942-V949 CarbonylContact C-O 3.44Å; L942-V949 VanDerWaalsContact C-O 3.31Å; L942-V949 HydrophobicContact CB-CB 4.25Å; L942-V949 HydrophobicContact CB-CG1 3.93Å; L942-V949 WeakPolarHBondContact CB-O 3.32Å; L942-V949 HydrophobicContact CD1-CG1 4Å; N943-V949 WeakPolarHBondContact CA-O 3.48Å; N943-V949 PolarHBondContact N-O 2.93Å; F946-V949 HydrophobicContact CB-CB 4.15Å; F946-V949 HydrophobicContact CB-CG2 3.87Å; F946-V949 PolarHBondContact O-N 3.18Å; D947-V949 PolarHBondContact O-N 2.94Å; V949-I951 VanDerWaalsContact C-N 3.3Å; V949-I951 HydrophobicContact CG1-CG2 3.93Å; V949-I951 PolarHBondContact O-N 2.66Å | ||
| 950 | D | 90.6 | Very high | 88.6 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | trans | -83.2 | 70.5 | 178.5 | -166 | 19.5 | 0 | 0 | 0 | 113.1 | S941 N943 | S941-D950 WeakPolarHBondContact CB-OD1 3.48Å; S941-D950 WeakPolarHBondContact OG-CA 3.36Å; S941-D950 PolarHBondContact OG-OD1 3.08Å; N943-D950 HydrophobicContact CB-CB 4.14Å; N943-D950 PolarHBondContact ND2-OD1 2.96Å | ||
| 951 | I | 93.6 | Very high | 88.6 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | trans | -145.8 | 149.1 | 177.7 | -159.9 | 69.4 | 0 | 0 | 0 | 110.1 | D875 V896 Y898 S941 L942 V949 L954 | D875-I951 HydrophobicContact CB-CD1 4.11Å; V896-I951 HydrophobicContact CG2-CG2 4.13Å; Y898-I951 HydrophobicContact CD2-CB 3.83Å; Y898-I951 HydrophobicContact CD2-CD1 4.29Å; Y898-I951 HydrophobicContact CD2-CG1 4.26Å; Y898-I951 HydrophobicContact CD2-CG2 4.34Å; Y898-I951 HydrophobicContact CE2-CB 4.38Å; Y898-I951 HydrophobicContact CG-CB 4.29Å; Y898-I951 HydrophobicContact CG-CG2 4.31Å; S941-I951 PolarHBondContact OG-N 2.82Å; L942-I951 HydrophobicContact CD1-CG2 4.1Å; L942-I951 PolarHBondContact N-O 3.41Å; V949-I951 VanDerWaalsContact C-N 3.3Å; V949-I951 HydrophobicContact CG1-CG2 3.93Å; V949-I951 PolarHBondContact O-N 2.66Å; I951-L954 HydrophobicContact CD1-CD1 4.46Å | ||
| 952 | T | 94.2 | Very high | 88.3 | Confident | 33 Ų | 33 | 61 Ų | 61 | 20% | 0.202 | 32% | 0.317 | C | S | . | . | trans | -96.5 | 163 | 168.4 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | L954 | T952-L954 VanDerWaalsContact C-N 3.34Å; T952-L954 PolarHBondContact O-N 3.27Å; T952-L954 WeakPolarHBondContact OG1-CD2 3.11Å; T952-L954 WeakPolarHBondContact OG1-CG 2.98Å | ||
| 953 | L | 95.5 | Very high | 88.1 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | trans | -75.4 | 85 | 173.7 | -57.6 | -174.8 | 0 | 0 | 0 | 110.2 | F878 L894 V896 I934 Y937 L942 | F878-L953 HydrophobicContact CB-CD2 3.89Å; F878-L953 HydrophobicContact CD1-CB 3.7Å; F878-L953 HydrophobicContact CD1-CD2 4.22Å; F878-L953 HydrophobicContact CD1-CG 4.48Å; F878-L953 HydrophobicContact CD2-CB 4.34Å; F878-L953 HydrophobicContact CD2-CD1 4.19Å; F878-L953 HydrophobicContact CD2-CD2 4.16Å; F878-L953 HydrophobicContact CD2-CG 4.47Å; F878-L953 HydrophobicContact CE1-CB 3.62Å; F878-L953 HydrophobicContact CE2-CB 4.27Å; F878-L953 HydrophobicContact CE2-CD1 4.17Å; F878-L953 HydrophobicContact CG-CB 4.07Å; F878-L953 HydrophobicContact CG-CD2 3.83Å; F878-L953 HydrophobicContact CG-CG 4.38Å; F878-L953 HydrophobicContact CZ-CB 3.92Å; L894-L953 HydrophobicContact CD1-CD1 4.17Å; L894-L953 HydrophobicContact CD1-CD2 4.09Å; L894-L953 HydrophobicContact CD2-CD1 4.21Å; L894-L953 HydrophobicContact CD2-CD2 4.13Å; V896-L953 HydrophobicContact CB-CD2 4.31Å; V896-L953 HydrophobicContact CG2-CD2 4.03Å; I934-L953 HydrophobicContact CD1-CD1 3.8Å; I934-L953 HydrophobicContact CG2-CD1 4.14Å; Y937-L953 PolarHBondContact O-N 2.95Å; L942-L953 HydrophobicContact CD1-CD2 4.05Å | ||
| 954 | L | 91.7 | Very high | 88.3 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | trans | -84.5 | -48 | -171.9 | -66.9 | 174.5 | 0 | 0 | 0 | 113.2 | G876 I951 T952 | G876-L954 PolarHBondContact O-N 3.48Å; I951-L954 HydrophobicContact CD1-CD1 4.46Å; T952-L954 VanDerWaalsContact C-N 3.34Å; T952-L954 PolarHBondContact O-N 3.27Å; T952-L954 WeakPolarHBondContact OG1-CD2 3.11Å; T952-L954 WeakPolarHBondContact OG1-CG 2.98Å | ||
| 955 | Y | 91.6 | Very high | 88.7 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 11% | 0.106 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 106.7 | -167.3 | -43.4 | -66.4 | 0 | 0 | 0 | 111.6 | I874 D875 G876 T877 F878 Y957 T980 R1011 | I874-Y955 HydrophobicContact CD1-CD2 3.84Å; I874-Y955 HydrophobicContact CD1-CE2 3.4Å; I874-Y955 VanDerWaalsContact CD1-CE2 3.4Å; I874-Y955 HydrophobicContact CG1-CD2 4.01Å; I874-Y955 HydrophobicContact CG1-CE2 3.98Å; D875-Y955 WeakPolarHBondContact O-CE2 3.49Å; G876-Y955 PolarHBondContact O-N 3.33Å; T877-Y955 CarbonylContact C-O 3.59Å; T877-Y955 VanDerWaalsContact CA-O 3.27Å; T877-Y955 WeakPolarHBondContact CA-O 3.31Å; F878-Y955 WeakPolarHBondContact CD1-O 3.46Å; F878-Y955 PolarHBondContact N-O 3.17Å; Y955-Y957 PolarHBondContact O-N 2.85Å; Y955-T980 HydrophobicContact CE1-CG2 4.19Å; Y955-R1011 VanDerWaalsContact CD1-NE 3.29Å; Y955-R1011 VanDerWaalsContact CE1-CZ 3.46Å; Y955-R1011 VanDerWaalsContact CE1-NH2 3.33Å |
| 956 | P | 94.2 | Very high | 89 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 126.8 | 167.9 | -24.3 | 34.6 | 0 | 0 | 0 | 110.1 | D855 W856 F878 Q958 | D855-P956 HydrophobicContact CB-CB 4.26Å; W856-P956 HydrophobicContact CB-CB 3.95Å; F878-P956 HydrophobicContact CE1-CG 4.05Å; F878-P956 HydrophobicContact CZ-CB 4.49Å; F878-P956 HydrophobicContact CZ-CG 4.05Å; P956-Q958 PolarHBondContact O-N 2.76Å |
| 957 | Y | 94 | Very high | 89.4 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | trans | -62.9 | 131.6 | 174.9 | 176.3 | -90.1 | 0 | 0 | 0 | 110.3 | V858 L869 L870 T877 F878 L879 Y955 K959 | V858-Y957 HydrophobicContact CG1-CD1 4.39Å; L869-Y957 HydrophobicContact CB-CE2 4.05Å; L869-Y957 HydrophobicContact CD1-CE1 4.09Å; L869-Y957 WeakPolarHBondContact CD2-OH 3.41Å; L870-Y957 HydrophobicContact CD2-CD2 4.01Å; T877-Y957 HydrophobicContact CG2-CD2 4.46Å; F878-Y957 WeakPolarHBondContact O-CB 3.48Å; F878-Y957 PolarHBondContact O-N 2.8Å; L879-Y957 HydrophobicContact CD2-CD1 4.25Å; L879-Y957 HydrophobicContact CD2-CG 4.11Å; Y955-Y957 PolarHBondContact O-N 2.85Å; Y957-K959 HydrophobicContact CE1-CG 3.9Å | ||
| 958 | Q | 90.2 | Very high | 90.3 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | trans | -120.1 | 128.5 | 178.9 | -70.4 | 171.6 | -16.1 | 0 | 0 | 109.9 | P956 W1007 G1010 I1012 | P956-Q958 PolarHBondContact O-N 2.76Å; Q958-W1007 PolarHBondContact O-NE1 2.99Å; Q958-G1010 PolarHBondContact N-O 3.26Å; Q958-G1010 CarbonylContact O-C 3.6Å; Q958-G1010 WeakPolarHBondContact O-CA 3.49Å; Q958-I1012 HydrophobicContact CB-CD1 4.33Å; Q958-I1012 HydrophobicContact CB-CG1 4.19Å | ||
| 959 | K | 85.7 | Confident | 91 | Very high | 132 Ų | 132 | 55.2 Ų | 55.2 | 57% | 0.574 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 146.4 | 174.6 | -71.2 | 179.5 | -179.5 | 174.6 | 0 | 110.5 | Y957 P961 | Y957-K959 HydrophobicContact CE1-CG 3.9Å; K959-P961 WeakPolarHBondContact O-CD 3.39Å |
| 960 | C | 85 | Confident | 91.5 | Very high | 46 Ų | 46 | 54.9 Ų | 54.9 | 31% | 0.311 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 127.8 | 173.5 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | S962 W1007 | C960-S962 PolarHBondContact O-N 2.8Å; C960-W1007 HydrophobicContact CB-CD2 3.71Å; C960-W1007 HydrophobicContact CB-CE3 3.88Å; C960-W1007 HydrophobicContact CB-CG 4.36Å; C960-W1007 HydrophobicContact CB-CH2 3.9Å; C960-W1007 HydrophobicContact CB-CZ2 3.72Å; C960-W1007 HydrophobicContact CB-CZ3 3.97Å; C960-W1007 VanDerWaalsContact SG-CE3 3.56Å |
| 961 | P | 85.7 | Confident | 91.7 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 22% | 0.221 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 137.6 | 177.2 | -27.6 | 37.8 | 0 | 0 | 0 | 111.7 | K959 S963 P964 V994 I1012 | K959-P961 WeakPolarHBondContact O-CD 3.39Å; P961-S963 PolarHBondContact O-N 3.15Å; P961-P964 WeakPolarHBondContact O-CD 3.26Å; P961-V994 HydrophobicContact CG-CG1 4.24Å; P961-V994 HydrophobicContact CG-CG2 3.75Å; P961-I1012 HydrophobicContact CG-CD1 4.23Å |
| 962 | S | 83.6 | Confident | 91.8 | Very high | 131 Ų | 131 | 58.7 Ų | 58.7 | 92% | 0.916 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -66.3 | -22.1 | -177.1 | -46.9 | 0 | 0 | 0 | 0 | 113.8 | C960 | C960-S962 PolarHBondContact O-N 2.8Š|
| 963 | S | 87.1 | Confident | 91.9 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 73% | 0.734 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -131.2 | 73.3 | -179 | 47.1 | 0 | 0 | 0 | 0 | 111.1 | P961 | P961-S963 PolarHBondContact O-N 3.15Š|
| 964 | P | 89.7 | Confident | 91.7 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 21% | 0.208 | 33% | 0.334 | C | S | . | . | trans | -67.2 | 148.1 | 171.6 | 30.7 | -32.5 | 0 | 0 | 0 | 110 | P961 F966 Y967 A992 | P961-P964 WeakPolarHBondContact O-CD 3.26Å; P964-F966 VanDerWaalsContact C-N 3.33Å; P964-F966 PolarHBondContact O-N 2.93Å; P964-Y967 HydrophobicContact CG-CE2 3.95Å; P964-A992 HydrophobicContact CB-CB 3.83Å; P964-A992 HydrophobicContact CG-CB 4.42Å | ||
| 965 | L | 90.6 | Very high | 91.6 | Very high | 99 Ų | 99 | 67.1 Ų | 67.1 | 52% | 0.518 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -61.8 | -43.3 | 178.7 | -65.1 | 174.9 | 0 | 0 | 0 | 111.3 | V993 R996 | L965-V993 WeakPolarHBondContact CB-O 3.36Å; L965-V993 HydrophobicContact CD1-CG1 4.4Å; L965-V993 PolarHBondContact N-O 2.85Å; L965-R996 HydrophobicContact CD1-CG 4.14Å |
| 966 | F | 93.5 | Very high | 91.2 | Very high | 23 Ų | 23 | 68 Ų | 68 | 10% | 0.101 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | 173.4 | 174.2 | 48.8 | -91.3 | 0 | 0 | 0 | 109.5 | P964 V968 V993 W1004 R1022 | P964-F966 VanDerWaalsContact C-N 3.33Å; P964-F966 PolarHBondContact O-N 2.93Å; F966-V968 HydrophobicContact CD2-CG1 3.8Å; F966-V968 HydrophobicContact CE2-CG1 3.59Å; F966-V993 HydrophobicContact CD2-CB 4.24Å; F966-V993 HydrophobicContact CD2-CG2 3.91Å; F966-V993 HydrophobicContact CE2-CB 4.04Å; F966-V993 HydrophobicContact CE2-CG1 4.35Å; F966-V993 HydrophobicContact CE2-CG2 3.61Å; F966-V993 HydrophobicContact CZ-CB 4.25Å; F966-V993 HydrophobicContact CZ-CG1 4.12Å; F966-V993 HydrophobicContact CZ-CG2 4.23Å; F966-V993 PolarHBondContact O-N 2.88Å; F966-W1004 HydrophobicContact CE2-CE3 4.35Å; F966-W1004 AromaticContact CE2-CH2 3.99Å; F966-W1004 HydrophobicContact CE2-CH2 3.99Å; F966-W1004 AromaticContact CE2-CZ3 3.78Å; F966-W1004 HydrophobicContact CE2-CZ3 3.78Å; F966-W1004 HydrophobicContact CZ-CE3 4.49Å; F966-W1004 AromaticContact CZ-CH2 3.93Å; F966-W1004 HydrophobicContact CZ-CH2 3.93Å; F966-W1004 HydrophobicContact CZ-CZ2 4.26Å; F966-W1004 HydrophobicContact CZ-CZ3 4.06Å; F966-R1022 HydrophobicContact CD2-CG 3.83Å; F966-R1022 HydrophobicContact CE2-CG 4.21Å; F966-R1022 HydrophobicContact CG-CG 4.49Å |
| 967 | Y | 95.4 | Very high | 90.4 | Very high | 75 Ų | 75 | 70.6 Ų | 70.6 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 147.7 | 174 | -68.8 | -88.7 | 0 | 0 | 0 | 111.8 | P964 R990 I991 A992 E1023 | P964-Y967 HydrophobicContact CG-CE2 3.95Å; Y967-R990 HydrophobicContact CD1-CG 4.26Å; Y967-R990 VanDerWaalsContact CD1-CZ 3.45Å; Y967-R990 VanDerWaalsContact CD2-NH2 3.29Å; Y967-R990 VanDerWaalsContact CE1-NH1 3.34Å; Y967-I991 WeakPolarHBondContact CA-O 3.48Å; Y967-A992 HydrophobicContact CD1-CB 3.95Å; Y967-A992 HydrophobicContact CE1-CB 3.55Å; Y967-E1023 PolarHBondContact O-N 3.16Å |
| 968 | V | 96.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 156.8 | 174 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | F966 R990 I991 V993 W1004 F1015 V1020 T1021 R1022 | F966-V968 HydrophobicContact CD2-CG1 3.8Å; F966-V968 HydrophobicContact CE2-CG1 3.59Å; V968-R990 WeakPolarHBondContact O-CA 3.42Å; V968-I991 HydrophobicContact CG2-CB 3.73Å; V968-I991 HydrophobicContact CG2-CD1 4.11Å; V968-I991 HydrophobicContact CG2-CG2 4.46Å; V968-I991 PolarHBondContact N-O 2.81Å; V968-I991 PolarHBondContact O-N 3.47Å; V968-V993 HydrophobicContact CB-CG2 4.38Å; V968-V993 HydrophobicContact CG1-CG2 3.65Å; V968-V993 HydrophobicContact CG2-CG2 3.85Å; V968-W1004 HydrophobicContact CG1-CE3 4.29Å; V968-W1004 HydrophobicContact CG1-CZ3 3.76Å; V968-F1015 HydrophobicContact CG2-CE2 4.2Å; V968-F1015 HydrophobicContact CG2-CZ 4.11Å; V968-V1020 HydrophobicContact CB-CB 3.91Å; V968-V1020 HydrophobicContact CB-CG2 3.86Å; V968-V1020 HydrophobicContact CG1-CG2 4.1Å; V968-V1020 HydrophobicContact CG2-CB 3.92Å; V968-V1020 HydrophobicContact CG2-CG1 4.09Å; V968-V1020 HydrophobicContact CG2-CG2 3.88Å; V968-T1021 CarbonylContact C-O 3.58Å; V968-T1021 VanDerWaalsContact CA-O 3.27Å; V968-T1021 WeakPolarHBondContact CA-O 3.36Å; V968-R1022 HydrophobicContact CG1-CB 4.46Å |
| 969 | R | 97.2 | Very high | 89.2 | Confident | 120 Ų | 120 | 75 Ų | 75 | 45% | 0.453 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.4 | 175.5 | -167.8 | 164 | -66.2 | -145 | -1.9 | 110.4 | N971 D989 V1020 T1021 E1023 | R969-N971 PolarHBondContact O-N 3.26Å; R969-D989 CarbonylContact C-O 3.59Å; R969-D989 VanDerWaalsContact CA-O 3.28Å; R969-D989 WeakPolarHBondContact CA-O 3.46Å; R969-V1020 CarbonylContact O-C 3.21Å; R969-V1020 WeakPolarHBondContact O-CA 3.22Å; R969-V1020 WeakPolarHBondContact O-CB 3.2Å; R969-T1021 PolarHBondContact N-O 2.71Å; R969-T1021 PolarHBondContact O-N 2.79Å; R969-E1023 HydrophobicContact CB-CG 4.43Å; R969-E1023 IonicContact CZ-OE1 3.87Å; R969-E1023 VanDerWaalsContact CZ-OE1 3.31Å; R969-E1023 IonicContact NE-OE1 2.71Å; R969-E1023 PolarHBondContact NE-OE1 2.99Å; R969-E1023 IonicContact NH2-OE1 3.13Å; R969-E1023 PolarHBondContact NH2-OE1 3.26Å |
| 970 | A | 96.8 | Very high | 89 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 3% | 0.025 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L985 K986 G988 D989 I991 V1020 | A970-L985 HydrophobicContact CB-CB 4.18Å; A970-L985 HydrophobicContact CB-CD1 4.28Å; A970-K986 WeakPolarHBondContact CB-O 3.49Å; A970-G988 PolarHBondContact O-N 3.01Å; A970-D989 HydrophobicContact CB-CB 4.11Å; A970-D989 PolarHBondContact N-O 2.94Å; A970-I991 HydrophobicContact CB-CD1 4.08Å; A970-V1020 HydrophobicContact CB-CG1 4.46Å |
| 971 | N | 94.9 | Very high | 89.1 | Confident | 74 Ų | 74 | 78.9 Ų | 78.9 | 40% | 0.396 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -91.6 | -24.2 | 173.9 | -52.3 | -44.6 | 0 | 0 | 0 | 111.6 | R969 F1019 T1021 | R969-N971 PolarHBondContact O-N 3.26Å; N971-F1019 PolarHBondContact N-O 2.81Å; N971-T1021 PolarHBondContact ND2-N 3.22Å; N971-T1021 PolarHBondContact ND2-OG1 3.23Å; N971-T1021 PolarHBondContact OD1-OG1 3.44Å |
| 972 | F | 94 | Very high | 89.4 | Confident | 120 Ų | 120 | 79 Ų | 79 | 53% | 0.526 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -135.9 | 153.2 | -174.5 | -54.2 | -74.2 | 0 | 0 | 0 | 110.4 | F1019 | F972-F1019 HydrophobicContact CB-CD1 3.67Å; F972-F1019 HydrophobicContact CB-CE1 4.09Å; F972-F1019 HydrophobicContact CB-CG 4.36Å |
| 973 | D | 95.9 | Very high | 89.8 | Confident | 111 Ų | 111 | 72.9 Ų | 72.9 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | trans | -70.1 | 137.7 | 170.5 | -63.4 | -6.5 | 0 | 0 | 0 | 109.8 | L985 K986 G987 F1019 | D973-L985 CarbonylContact C-O 3.48Å; D973-L985 VanDerWaalsContact CA-O 3.27Å; D973-L985 WeakPolarHBondContact CA-O 3.38Å; D973-K986 WeakPolarHBondContact OD1-CA 3.42Å; D973-G987 PolarHBondContact OD1-N 3.25Å; D973-F1019 VanDerWaalsContact O-CE1 3.28Å; D973-F1019 WeakPolarHBondContact O-CE1 3.34Å | ||
| 974 | F | 92.6 | Very high | 90.1 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -131.5 | 124.5 | 170.5 | 171.9 | -105.2 | 0 | 0 | 0 | 108.5 | D976 F982 L983 N984 L985 W1003 P1016 F1019 | F974-D976 HydrophobicContact CE1-CB 4.3Å; F974-D976 HydrophobicContact CE2-CB 4.32Å; F974-D976 HydrophobicContact CZ-CB 3.76Å; F974-F982 HydrophobicContact CE1-CB 4.2Å; F974-L983 WeakPolarHBondContact CD1-O 3.03Å; F974-N984 CarbonylContact O-C 3.49Å; F974-N984 WeakPolarHBondContact O-CA 3.49Å; F974-L985 HydrophobicContact CB-CB 4.13Å; F974-L985 HydrophobicContact CB-CD1 4.41Å; F974-L985 HydrophobicContact CB-CG 4.27Å; F974-L985 PolarHBondContact N-O 3.07Å; F974-L985 PolarHBondContact O-N 3.12Å; F974-W1003 HydrophobicContact CE1-CH2 4.45Å; F974-W1003 HydrophobicContact CE1-CZ3 4.15Å; F974-W1003 HydrophobicContact CE2-CH2 4.08Å; F974-W1003 HydrophobicContact CE2-CZ3 4.49Å; F974-W1003 AromaticContact CZ-CH2 3.66Å; F974-W1003 HydrophobicContact CZ-CH2 3.66Å; F974-W1003 AromaticContact CZ-CZ3 3.8Å; F974-W1003 HydrophobicContact CZ-CZ3 3.8Å; F974-P1016 HydrophobicContact CB-CG 4.4Å; F974-P1016 HydrophobicContact CD1-CG 4.32Å; F974-P1016 HydrophobicContact CD2-CG 3.79Å; F974-P1016 HydrophobicContact CE2-CG 4.15Å; F974-P1016 HydrophobicContact CG-CG 3.9Å; F974-F1019 HydrophobicContact CB-CD1 3.74Å; F974-F1019 HydrophobicContact CB-CE1 3.96Å; F974-F1019 HydrophobicContact CD2-CE1 4.32Å |
| 975 | H | 89.7 | Confident | 90.3 | Very high | 140 Ų | 140 | 68.1 Ų | 68.1 | 65% | 0.648 | 34% | 0.338 | S | S | * | . | trans | -136 | 114.4 | -178.3 | -167.7 | 80.4 | 0 | 0 | 0 | 110.5 | N984 | H975-N984 WeakPolarHBondContact CA-OD1 3.47Å; H975-N984 PolarHBondContact ND1-ND2 3.35Å | ||
| 976 | D | 83.9 | Confident | 90.4 | Very high | 46 Ų | 46 | 70.6 Ų | 70.6 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | trans | -143.9 | 107.4 | 174.6 | -172.2 | -11.6 | 0 | 0 | 0 | 110 | F974 S978 F982 N984 | F974-D976 HydrophobicContact CE1-CB 4.3Å; F974-D976 HydrophobicContact CE2-CB 4.32Å; F974-D976 HydrophobicContact CZ-CB 3.76Å; D976-S978 WeakPolarHBondContact OD1-CB 3.47Å; D976-S978 PolarHBondContact OD1-N 3.25Å; D976-S978 PolarHBondContact OD1-OG 3.4Å; D976-S978 PolarHBondContact OD2-OG 3.22Å; D976-F982 HydrophobicContact CB-CD2 3.97Å; D976-F982 WeakPolarHBondContact OD2-CD2 3.3Å; D976-F982 WeakPolarHBondContact OD2-CE2 3.33Å; D976-N984 PolarHBondContact N-OD1 3.03Å; D976-N984 PolarHBondContact O-OD1 3.03Å | ||
| 977 | T | 76.5 | Confident | 90.3 | Very high | 95 Ų | 95 | 71.6 Ų | 71.6 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | trans | -95.5 | -1.2 | 177.7 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | N979 | T977-N979 PolarHBondContact O-N 2.94Š| ||
| 978 | S | 79.3 | Confident | 90.2 | Very high | 102 Ų | 102 | 70 Ų | 70 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -69 | -23.1 | 179.8 | 72.6 | 0 | 0 | 0 | 0 | 112.7 | D976 | D976-S978 WeakPolarHBondContact OD1-CB 3.47Å; D976-S978 PolarHBondContact OD1-N 3.25Å; D976-S978 PolarHBondContact OD1-OG 3.4Å; D976-S978 PolarHBondContact OD2-OG 3.22Å |
| 979 | N | 80.5 | Confident | 90.1 | Very high | 59 Ų | 59 | 71.8 Ų | 71.8 | 32% | 0.316 | 38% | 0.377 | S | S | . | . | trans | -138.9 | 115.4 | -178.7 | -174.1 | -18 | 0 | 0 | 0 | 110.8 | T977 R981 F982 | T977-N979 PolarHBondContact O-N 2.94Å; N979-R981 PolarHBondContact O-N 3.21Å; N979-R981 WeakPolarHBondContact OD1-CB 3.46Å; N979-R981 WeakPolarHBondContact OD1-CG 3.2Å; N979-R981 PolarHBondContact OD1-N 3.05Å; N979-R981 VanDerWaalsContact OD1-N 3.11Å; N979-F982 HydrophobicContact CB-CD2 3.65Å; N979-F982 HydrophobicContact CB-CE2 3.63Å; N979-F982 HydrophobicContact CB-CG 4.45Å; N979-F982 HydrophobicContact CB-CZ 4.41Å; N979-F982 PolarHBondContact O-N 3.49Å | ||
| 980 | T | 79.8 | Confident | 90 | Very high | 87 Ų | 87 | 71.5 Ų | 71.5 | 53% | 0.534 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.5 | -176.9 | 58 | 0 | 0 | 0 | 0 | 114.3 | Y955 F982 R1011 | Y955-T980 HydrophobicContact CE1-CG2 4.19Å; T980-F982 VanDerWaalsContact C-N 3.3Å; T980-R1011 PolarHBondContact O-NH2 3.25Å |
| 981 | R | 87.8 | Confident | 90 | Very high | 171 Ų | 171 | 71.3 Ų | 71.3 | 65% | 0.645 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -12 | 174 | -56.6 | -173.5 | -144.6 | -125 | 5.1 | 113.3 | N979 G1013 F1014 | N979-R981 PolarHBondContact O-N 3.21Å; N979-R981 WeakPolarHBondContact OD1-CB 3.46Å; N979-R981 WeakPolarHBondContact OD1-CG 3.2Å; N979-R981 PolarHBondContact OD1-N 3.05Å; N979-R981 VanDerWaalsContact OD1-N 3.11Å; R981-G1013 CarbonylContact O-C 3.53Å; R981-G1013 WeakPolarHBondContact O-CA 3.1Å; R981-F1014 HydrophobicContact CB-CD2 4.28Å; R981-F1014 PolarHBondContact O-N 2.82Å |
| 982 | F | 92.7 | Very high | 90 | Very high | 36 Ų | 36 | 67.9 Ų | 67.9 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -85.3 | 143.4 | 177.8 | -62.8 | -39.8 | 0 | 0 | 0 | 112.1 | F974 D976 N979 T980 W1003 R1011 F1014 | F974-F982 HydrophobicContact CE1-CB 4.2Å; D976-F982 HydrophobicContact CB-CD2 3.97Å; D976-F982 WeakPolarHBondContact OD2-CD2 3.3Å; D976-F982 WeakPolarHBondContact OD2-CE2 3.33Å; N979-F982 HydrophobicContact CB-CD2 3.65Å; N979-F982 HydrophobicContact CB-CE2 3.63Å; N979-F982 HydrophobicContact CB-CG 4.45Å; N979-F982 HydrophobicContact CB-CZ 4.41Å; N979-F982 PolarHBondContact O-N 3.49Å; T980-F982 VanDerWaalsContact C-N 3.3Å; F982-W1003 HydrophobicContact CD1-CE3 4.34Å; F982-W1003 HydrophobicContact CD1-CH2 4.31Å; F982-W1003 AromaticContact CD1-CZ3 3.84Å; F982-W1003 HydrophobicContact CD1-CZ3 3.84Å; F982-W1003 HydrophobicContact CE1-CE3 4.19Å; F982-W1003 HydrophobicContact CE1-CH2 4.01Å; F982-W1003 HydrophobicContact CE1-CZ2 4.46Å; F982-W1003 AromaticContact CE1-CZ3 3.85Å; F982-W1003 HydrophobicContact CE1-CZ3 3.85Å; F982-W1003 HydrophobicContact CZ-CH2 4.29Å; F982-R1011 PolarHBondContact O-NH2 3.39Å; F982-R1011 VanDerWaalsContact O-NH2 3.1Å; F982-F1014 CarbonylContact C-O 3.52Å; F982-F1014 WeakPolarHBondContact CA-O 3.16Å; F982-F1014 HydrophobicContact CD1-CB 3.96Å; F982-F1014 HydrophobicContact CE1-CB 4.29Å |
| 983 | L | 91.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 120.8 | 169.9 | -85.6 | 176.1 | 0 | 0 | 0 | 108.9 | F974 L985 G1006 L1008 R1011 F1014 F1015 | F974-L983 WeakPolarHBondContact CD1-O 3.03Å; L983-L985 HydrophobicContact CB-CD2 4.44Å; L983-G1006 WeakPolarHBondContact CD1-O 3.38Å; L983-L1008 HydrophobicContact CD1-CB 4.22Å; L983-L1008 HydrophobicContact CD2-CB 4.33Å; L983-R1011 HydrophobicContact CD2-CB 3.67Å; L983-F1014 PolarHBondContact N-O 2.79Å; L983-F1015 HydrophobicContact CB-CB 4.35Å; L983-F1015 HydrophobicContact CD1-CD1 4.28Å |
| 984 | N | 92 | Very high | 90 | Very high | 32 Ų | 32 | 59.1 Ų | 59.1 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -74 | 133.2 | 169.1 | -64.6 | -31.4 | 0 | 0 | 0 | 109 | F974 H975 D976 | F974-N984 CarbonylContact O-C 3.49Å; F974-N984 WeakPolarHBondContact O-CA 3.49Å; H975-N984 WeakPolarHBondContact CA-OD1 3.47Å; H975-N984 PolarHBondContact ND1-ND2 3.35Å; D976-N984 PolarHBondContact N-OD1 3.03Å; D976-N984 PolarHBondContact O-OD1 3.03Å |
| 985 | L | 93.8 | Very high | 90 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -114.9 | 143 | 179.9 | -53.3 | -178.2 | 0 | 0 | 0 | 109.6 | A970 D973 F974 L983 I991 L1008 F1015 F1019 V1020 | A970-L985 HydrophobicContact CB-CB 4.18Å; A970-L985 HydrophobicContact CB-CD1 4.28Å; D973-L985 CarbonylContact C-O 3.48Å; D973-L985 VanDerWaalsContact CA-O 3.27Å; D973-L985 WeakPolarHBondContact CA-O 3.38Å; F974-L985 HydrophobicContact CB-CB 4.13Å; F974-L985 HydrophobicContact CB-CD1 4.41Å; F974-L985 HydrophobicContact CB-CG 4.27Å; F974-L985 PolarHBondContact N-O 3.07Å; F974-L985 PolarHBondContact O-N 3.12Å; L983-L985 HydrophobicContact CB-CD2 4.44Å; L985-I991 HydrophobicContact CD2-CD1 3.98Å; L985-I991 HydrophobicContact CD2-CG1 3.89Å; L985-L1008 HydrophobicContact CD2-CD2 3.77Å; L985-F1015 HydrophobicContact CD1-CB 3.89Å; L985-F1015 HydrophobicContact CD1-CD2 4.02Å; L985-F1015 HydrophobicContact CD1-CG 4.2Å; L985-F1015 HydrophobicContact CD2-CB 4.31Å; L985-F1015 HydrophobicContact CG-CB 4.23Å; L985-F1019 HydrophobicContact CD1-CB 4.47Å; L985-V1020 HydrophobicContact CD1-CG1 4.04Å |
| 986 | K | 92.7 | Very high | 90.2 | Very high | 150 Ų | 150 | 58.2 Ų | 58.2 | 65% | 0.652 | 31% | 0.313 | S | S | * | . | trans | -109.6 | 147.7 | 159.5 | -72.9 | -171.9 | 175.8 | -177.7 | 0 | 109.9 | A970 D973 G988 D989 | A970-K986 WeakPolarHBondContact CB-O 3.49Å; D973-K986 WeakPolarHBondContact OD1-CA 3.42Å; K986-G988 PolarHBondContact O-N 2.71Å; K986-D989 PolarHBondContact N-OD2 3.37Å; K986-D989 VanDerWaalsContact O-CB 3.27Å; K986-D989 WeakPolarHBondContact O-CB 3.47Å; K986-D989 VanDerWaalsContact O-CG 3.24Å; K986-D989 PolarHBondContact O-N 3.37Å | ||
| 987 | G | 92.9 | Very high | 90.6 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 45% | 0.454 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 124.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D973 | D973-G987 PolarHBondContact OD1-N 3.25Š|
| 988 | G | 93.5 | Very high | 91.2 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -13.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A970 K986 R990 | A970-G988 PolarHBondContact O-N 3.01Å; K986-G988 PolarHBondContact O-N 2.71Å; G988-R990 PolarHBondContact O-N 3.08Å |
| 989 | D | 94.5 | Very high | 91.7 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | trans | -58.5 | 138.3 | 179.2 | -78.6 | -17.8 | 0 | 0 | 0 | 111.8 | R969 A970 K986 I991 L1008 | R969-D989 CarbonylContact C-O 3.59Å; R969-D989 VanDerWaalsContact CA-O 3.28Å; R969-D989 WeakPolarHBondContact CA-O 3.46Å; A970-D989 HydrophobicContact CB-CB 4.11Å; A970-D989 PolarHBondContact N-O 2.94Å; K986-D989 PolarHBondContact N-OD2 3.37Å; K986-D989 VanDerWaalsContact O-CB 3.27Å; K986-D989 WeakPolarHBondContact O-CB 3.47Å; K986-D989 VanDerWaalsContact O-CG 3.24Å; K986-D989 PolarHBondContact O-N 3.37Å; D989-I991 HydrophobicContact CB-CD1 4.2Å; D989-I991 VanDerWaalsContact O-CD1 3.3Å; D989-I991 WeakPolarHBondContact O-CD1 3.39Å; D989-L1008 HydrophobicContact CB-CD1 4.12Å; D989-L1008 HydrophobicContact CB-CD2 4.08Å | ||
| 990 | R | 94.7 | Very high | 92 | Very high | 113 Ų | 113 | 57.7 Ų | 57.7 | 43% | 0.426 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.7 | 179.6 | -171.5 | 176.1 | -175.1 | -99.9 | -4.9 | 110.1 | Y967 V968 G988 E1023 | Y967-R990 HydrophobicContact CD1-CG 4.26Å; Y967-R990 VanDerWaalsContact CD1-CZ 3.45Å; Y967-R990 VanDerWaalsContact CD2-NH2 3.29Å; Y967-R990 VanDerWaalsContact CE1-NH1 3.34Å; V968-R990 WeakPolarHBondContact O-CA 3.42Å; G988-R990 PolarHBondContact O-N 3.08Å; R990-E1023 IonicContact CZ-OE2 3.5Å; R990-E1023 IonicContact NE-OE1 3.76Å; R990-E1023 PolarHBondContact NE-OE1 3.42Å; R990-E1023 IonicContact NE-OE2 2.73Å; R990-E1023 PolarHBondContact NE-OE2 2.65Å; R990-E1023 IonicContact NH2-OE2 2.81Å; R990-E1023 PolarHBondContact NH2-OE2 2.78Å |
| 991 | I | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.6 | -173 | -50.5 | 96.7 | 0 | 0 | 0 | 110 | Y967 V968 A970 L985 D989 W1007 L1008 F1015 V1020 | Y967-I991 WeakPolarHBondContact CA-O 3.48Å; V968-I991 HydrophobicContact CG2-CB 3.73Å; V968-I991 HydrophobicContact CG2-CD1 4.11Å; V968-I991 HydrophobicContact CG2-CG2 4.46Å; V968-I991 PolarHBondContact N-O 2.81Å; V968-I991 PolarHBondContact O-N 3.47Å; A970-I991 HydrophobicContact CB-CD1 4.08Å; L985-I991 HydrophobicContact CD2-CD1 3.98Å; L985-I991 HydrophobicContact CD2-CG1 3.89Å; D989-I991 HydrophobicContact CB-CD1 4.2Å; D989-I991 VanDerWaalsContact O-CD1 3.3Å; D989-I991 WeakPolarHBondContact O-CD1 3.39Å; I991-W1007 WeakPolarHBondContact CG2-O 3.5Å; I991-L1008 HydrophobicContact CG1-CB 4.32Å; I991-L1008 HydrophobicContact CG1-CD1 4.41Å; I991-L1008 HydrophobicContact CG1-CD2 4.24Å; I991-F1015 HydrophobicContact CG2-CD1 4.25Å; I991-F1015 HydrophobicContact CG2-CE1 3.68Å; I991-F1015 HydrophobicContact CG2-CZ 3.97Å; I991-V1020 HydrophobicContact CD1-CG1 4.13Å |
| 992 | A | 96.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 113.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P964 Y967 V994 G1006 W1007 | P964-A992 HydrophobicContact CB-CB 3.83Å; P964-A992 HydrophobicContact CG-CB 4.42Å; Y967-A992 HydrophobicContact CD1-CB 3.95Å; Y967-A992 HydrophobicContact CE1-CB 3.55Å; A992-V994 PolarHBondContact O-N 2.78Å; A992-G1006 CarbonylContact O-C 3.51Å; A992-G1006 WeakPolarHBondContact O-CA 3.4Å; A992-W1007 HydrophobicContact CB-CB 4.34Å; A992-W1007 PolarHBondContact N-O 3.3Å; A992-W1007 PolarHBondContact O-N 3Å |
| 993 | V | 96 | Very high | 93 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.8 | -177.2 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | L965 F966 V968 R996 W1004 F1015 | L965-V993 WeakPolarHBondContact CB-O 3.36Å; L965-V993 HydrophobicContact CD1-CG1 4.4Å; L965-V993 PolarHBondContact N-O 2.85Å; F966-V993 HydrophobicContact CD2-CB 4.24Å; F966-V993 HydrophobicContact CD2-CG2 3.91Å; F966-V993 HydrophobicContact CE2-CB 4.04Å; F966-V993 HydrophobicContact CE2-CG1 4.35Å; F966-V993 HydrophobicContact CE2-CG2 3.61Å; F966-V993 HydrophobicContact CZ-CB 4.25Å; F966-V993 HydrophobicContact CZ-CG1 4.12Å; F966-V993 HydrophobicContact CZ-CG2 4.23Å; F966-V993 PolarHBondContact O-N 2.88Å; V968-V993 HydrophobicContact CB-CG2 4.38Å; V968-V993 HydrophobicContact CG1-CG2 3.65Å; V968-V993 HydrophobicContact CG2-CG2 3.85Å; V993-R996 HydrophobicContact CG1-CG 4.31Å; V993-W1004 HydrophobicContact CG1-CB 4.41Å; V993-W1004 HydrophobicContact CG1-CD2 4.47Å; V993-W1004 HydrophobicContact CG1-CE3 4.48Å; V993-W1004 HydrophobicContact CG1-CG 4.48Å; V993-W1004 HydrophobicContact CG2-CE3 4.12Å; V993-F1015 HydrophobicContact CG2-CZ 4.26Å |
| 994 | V | 93.2 | Very high | 93.3 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 29% | 0.291 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -36.3 | -175.2 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | P961 A992 K1005 W1007 | P961-V994 HydrophobicContact CG-CG1 4.24Å; P961-V994 HydrophobicContact CG-CG2 3.75Å; A992-V994 PolarHBondContact O-N 2.78Å; V994-K1005 PolarHBondContact N-O 2.9Å; V994-W1007 HydrophobicContact CG2-CB 4.24Å |
| 995 | S | 92.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 60.5 Ų | 60.5 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 142.4 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | A997 K1005 | S995-A997 WeakPolarHBondContact OG-CB 3.39Å; S995-A997 PolarHBondContact OG-N 2.88Å; S995-K1005 PolarHBondContact N-O 2.73Å; S995-K1005 PolarHBondContact O-N 2.88Å |
| 996 | R | 93.6 | Very high | 93.6 | Very high | 107 Ų | 107 | 60.2 Ų | 60.2 | 40% | 0.404 | 32% | 0.318 | S | S | . | . | trans | -106.8 | 12.1 | 175.5 | -65.8 | 175.2 | 63 | -175 | 4.4 | 112.7 | L965 V993 A998 E999 W1004 | L965-R996 HydrophobicContact CD1-CG 4.14Å; V993-R996 HydrophobicContact CG1-CG 4.31Å; R996-A998 PolarHBondContact O-N 3.33Å; R996-E999 IonicContact CZ-OE1 3.35Å; R996-E999 IonicContact CZ-OE2 3.41Å; R996-E999 IonicContact NE-OE1 2.78Å; R996-E999 IonicContact NE-OE2 3.97Å; R996-E999 PolarHBondContact NE-OE2 2.92Å; R996-E999 IonicContact NH2-OE1 3Å; R996-E999 PolarHBondContact NH2-OE1 2.9Å; R996-E999 IonicContact NH2-OE2 3.02Å; R996-E999 PolarHBondContact NH2-OE2 2.82Å; R996-E999 VanDerWaalsContact O-CB 3.22Å; R996-E999 WeakPolarHBondContact O-CB 3.44Å; R996-E999 PolarHBondContact O-N 3.43Å; R996-W1004 HydrophobicContact CG-CG 4.45Å | ||
| 997 | A | 91.2 | Very high | 93.7 | Very high | 87 Ų | 87 | 55.3 Ų | 55.3 | 72% | 0.719 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S995 | S995-A997 WeakPolarHBondContact OG-CB 3.39Å; S995-A997 PolarHBondContact OG-N 2.88Å |
| 998 | A | 89.3 | Confident | 93.7 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 17.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R996 D1000 R1001 G1002 W1003 F1014 | R996-A998 PolarHBondContact O-N 3.33Å; A998-D1000 VanDerWaalsContact C-OD1 3.25Å; A998-D1000 WeakPolarHBondContact CA-OD1 3.47Å; A998-D1000 PolarHBondContact O-N 3.47Å; A998-R1001 PolarHBondContact O-N 2.8Å; A998-G1002 PolarHBondContact O-N 3.21Å; A998-W1003 CarbonylContact C-O 3.53Å; A998-W1003 HydrophobicContact CB-CB 4.14Å; A998-W1003 PolarHBondContact O-N 3.5Å; A998-W1003 VanDerWaalsContact O-N 3.1Å; A998-F1014 HydrophobicContact CB-CE1 4.18Å |
| 999 | E | 90.7 | Very high | 93.6 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 27% | 0.271 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -63 | -32 | -177.9 | -178.5 | 169 | -170.2 | 0 | 0 | 112.7 | R996 R1001 G1002 W1003 W1004 M1017 | R996-E999 IonicContact CZ-OE1 3.35Å; R996-E999 IonicContact CZ-OE2 3.41Å; R996-E999 IonicContact NE-OE1 2.78Å; R996-E999 IonicContact NE-OE2 3.97Å; R996-E999 PolarHBondContact NE-OE2 2.92Å; R996-E999 IonicContact NH2-OE1 3Å; R996-E999 PolarHBondContact NH2-OE1 2.9Å; R996-E999 IonicContact NH2-OE2 3.02Å; R996-E999 PolarHBondContact NH2-OE2 2.82Å; R996-E999 VanDerWaalsContact O-CB 3.22Å; R996-E999 WeakPolarHBondContact O-CB 3.44Å; R996-E999 PolarHBondContact O-N 3.43Å; E999-R1001 PolarHBondContact O-N 3.43Å; E999-G1002 PolarHBondContact O-N 2.91Å; E999-W1003 PolarHBondContact N-O 2.82Å; E999-W1004 PolarHBondContact OE2-NE1 2.76Å; E999-M1017 HydrophobicContact CG-CE 4.32Å; E999-M1017 HydrophobicContact CG-SD 3.74Å |
| 1000 | D | 86.2 | Confident | 93.3 | Very high | 129 Ų | 129 | 52.9 Ų | 52.9 | 69% | 0.69 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -57.6 | -25.4 | 171.7 | 63.9 | -44.6 | 0 | 0 | 0 | 112.9 | A998 | A998-D1000 VanDerWaalsContact C-OD1 3.25Å; A998-D1000 WeakPolarHBondContact CA-OD1 3.47Å; A998-D1000 PolarHBondContact O-N 3.47Å |
| 1001 | R | 92.2 | Very high | 93.1 | Very high | 192 Ų | 192 | 48.4 Ų | 48.4 | 73% | 0.725 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -98.6 | 3.7 | 176.4 | -52.8 | -178.1 | -158.4 | -166.3 | 3.6 | 112.9 | A998 E999 W1003 | A998-R1001 PolarHBondContact O-N 2.8Å; E999-R1001 PolarHBondContact O-N 3.43Å; R1001-W1003 PolarHBondContact O-NE1 2.88Å |
| 1002 | G | 93.8 | Very high | 92.9 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 17.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A998 E999 P1016 M1017 | A998-G1002 PolarHBondContact O-N 3.21Å; E999-G1002 PolarHBondContact O-N 2.91Å; G1002-P1016 WeakPolarHBondContact O-CA 3.44Å; G1002-M1017 WeakPolarHBondContact O-CG 3.3Å; G1002-M1017 PolarHBondContact O-N 2.91Å |
| 1003 | W | 96.3 | Very high | 92.8 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 26% | 0.258 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.4 | -177.2 | -62.9 | 88.3 | 0 | 0 | 0 | 112.3 | F974 F982 A998 E999 R1001 F1014 P1016 | F974-W1003 HydrophobicContact CE1-CH2 4.45Å; F974-W1003 HydrophobicContact CE1-CZ3 4.15Å; F974-W1003 HydrophobicContact CE2-CH2 4.08Å; F974-W1003 HydrophobicContact CE2-CZ3 4.49Å; F974-W1003 AromaticContact CZ-CH2 3.66Å; F974-W1003 HydrophobicContact CZ-CH2 3.66Å; F974-W1003 AromaticContact CZ-CZ3 3.8Å; F974-W1003 HydrophobicContact CZ-CZ3 3.8Å; F982-W1003 HydrophobicContact CD1-CE3 4.34Å; F982-W1003 HydrophobicContact CD1-CH2 4.31Å; F982-W1003 AromaticContact CD1-CZ3 3.84Å; F982-W1003 HydrophobicContact CD1-CZ3 3.84Å; F982-W1003 HydrophobicContact CE1-CE3 4.19Å; F982-W1003 HydrophobicContact CE1-CH2 4.01Å; F982-W1003 HydrophobicContact CE1-CZ2 4.46Å; F982-W1003 AromaticContact CE1-CZ3 3.85Å; F982-W1003 HydrophobicContact CE1-CZ3 3.85Å; F982-W1003 HydrophobicContact CZ-CH2 4.29Å; A998-W1003 CarbonylContact C-O 3.53Å; A998-W1003 HydrophobicContact CB-CB 4.14Å; A998-W1003 PolarHBondContact O-N 3.5Å; A998-W1003 VanDerWaalsContact O-N 3.1Å; E999-W1003 PolarHBondContact N-O 2.82Å; R1001-W1003 PolarHBondContact O-NE1 2.88Å; W1003-F1014 HydrophobicContact CB-CD1 4.39Å; W1003-F1014 HydrophobicContact CE3-CB 4.08Å; W1003-P1016 HydrophobicContact CE3-CB 4.46Å; W1003-P1016 HydrophobicContact CH2-CB 4.46Å; W1003-P1016 HydrophobicContact CZ3-CB 4.29Å; W1003-P1016 HydrophobicContact CZ3-CG 4.34Å |
| 1004 | W | 97 | Very high | 92.8 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 153.6 | 165.3 | -73.9 | -14.3 | 0 | 0 | 0 | 110.4 | F966 V968 V993 R996 E999 F1014 F1015 M1017 V1020 | F966-W1004 HydrophobicContact CE2-CE3 4.35Å; F966-W1004 AromaticContact CE2-CH2 3.99Å; F966-W1004 HydrophobicContact CE2-CH2 3.99Å; F966-W1004 AromaticContact CE2-CZ3 3.78Å; F966-W1004 HydrophobicContact CE2-CZ3 3.78Å; F966-W1004 HydrophobicContact CZ-CE3 4.49Å; F966-W1004 AromaticContact CZ-CH2 3.93Å; F966-W1004 HydrophobicContact CZ-CH2 3.93Å; F966-W1004 HydrophobicContact CZ-CZ2 4.26Å; F966-W1004 HydrophobicContact CZ-CZ3 4.06Å; V968-W1004 HydrophobicContact CG1-CE3 4.29Å; V968-W1004 HydrophobicContact CG1-CZ3 3.76Å; V993-W1004 HydrophobicContact CG1-CB 4.41Å; V993-W1004 HydrophobicContact CG1-CD2 4.47Å; V993-W1004 HydrophobicContact CG1-CE3 4.48Å; V993-W1004 HydrophobicContact CG1-CG 4.48Å; V993-W1004 HydrophobicContact CG2-CE3 4.12Å; R996-W1004 HydrophobicContact CG-CG 4.45Å; E999-W1004 PolarHBondContact OE2-NE1 2.76Å; W1004-F1014 CarbonylContact O-C 3.53Å; W1004-F1014 VanDerWaalsContact O-CA 3.27Å; W1004-F1014 WeakPolarHBondContact O-CA 3.28Å; W1004-F1015 HydrophobicContact CB-CE1 4.06Å; W1004-F1015 HydrophobicContact CB-CE2 4.14Å; W1004-F1015 HydrophobicContact CB-CZ 3.71Å; W1004-F1015 HydrophobicContact CE3-CE2 4.32Å; W1004-F1015 HydrophobicContact CE3-CZ 4.3Å; W1004-F1015 PolarHBondContact N-O 3.46Å; W1004-F1015 WeakPolarHBondContact O-CD1 3.2Å; W1004-F1015 PolarHBondContact O-N 2.86Å; W1004-M1017 HydrophobicContact CD2-CB 3.83Å; W1004-M1017 HydrophobicContact CE3-CB 4.13Å; W1004-M1017 HydrophobicContact CG-CB 4.09Å; W1004-M1017 HydrophobicContact CZ2-CB 4.41Å; W1004-M1017 HydrophobicContact CZ2-CE 3.96Å; W1004-V1020 HydrophobicContact CE3-CG2 4.22Å; W1004-V1020 HydrophobicContact CZ3-CG2 4.05Å |
| 1005 | K | 96.1 | Very high | 92.9 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.8 | 170.7 | -170.9 | 177.4 | -178.4 | -177.9 | 0 | 108.4 | V994 S995 I1012 G1013 F1014 | V994-K1005 PolarHBondContact N-O 2.9Å; S995-K1005 PolarHBondContact N-O 2.73Å; S995-K1005 PolarHBondContact O-N 2.88Å; K1005-I1012 HydrophobicContact CD-CG2 4.1Å; K1005-I1012 HydrophobicContact CG-CG2 3.75Å; K1005-G1013 WeakPolarHBondContact CA-O 3.49Å; K1005-F1014 HydrophobicContact CB-CD1 4.03Å; K1005-F1014 HydrophobicContact CB-CE1 3.93Å; K1005-F1014 HydrophobicContact CD-CE1 4.44Å; K1005-F1014 HydrophobicContact CD-CZ 4.21Å; K1005-F1014 HydrophobicContact CG-CE1 4.42Å |
| 1006 | G | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 173 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L983 A992 I1012 G1013 | L983-G1006 WeakPolarHBondContact CD1-O 3.38Å; A992-G1006 CarbonylContact O-C 3.51Å; A992-G1006 WeakPolarHBondContact O-CA 3.4Å; G1006-I1012 VanDerWaalsContact O-CA 3.24Å; G1006-I1012 WeakPolarHBondContact O-CA 3.27Å; G1006-I1012 WeakPolarHBondContact O-CG2 3.37Å; G1006-G1013 PolarHBondContact N-O 3.48Å; G1006-G1013 PolarHBondContact O-N 2.85Å |
| 1007 | W | 95.4 | Very high | 93.1 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.6 | 175.3 | 179.9 | 93.4 | 0 | 0 | 0 | 110.2 | Q958 C960 I991 A992 V994 G1010 R1011 I1012 | Q958-W1007 PolarHBondContact O-NE1 2.99Å; C960-W1007 HydrophobicContact CB-CD2 3.71Å; C960-W1007 HydrophobicContact CB-CE3 3.88Å; C960-W1007 HydrophobicContact CB-CG 4.36Å; C960-W1007 HydrophobicContact CB-CH2 3.9Å; C960-W1007 HydrophobicContact CB-CZ2 3.72Å; C960-W1007 HydrophobicContact CB-CZ3 3.97Å; C960-W1007 VanDerWaalsContact SG-CE3 3.56Å; I991-W1007 WeakPolarHBondContact CG2-O 3.5Å; A992-W1007 HydrophobicContact CB-CB 4.34Å; A992-W1007 PolarHBondContact N-O 3.3Å; A992-W1007 PolarHBondContact O-N 3Å; V994-W1007 HydrophobicContact CG2-CB 4.24Å; W1007-G1010 VanDerWaalsContact CZ2-N 3.31Å; W1007-R1011 VanDerWaalsContact CA-O 3.3Å; W1007-R1011 WeakPolarHBondContact CA-O 3.27Å; W1007-I1012 HydrophobicContact CB-CG1 4.15Å; W1007-I1012 HydrophobicContact CG-CG1 4.34Å |
| 1008 | L | 94.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 130 | 174.3 | 176.4 | 64.3 | 0 | 0 | 0 | 108.9 | L983 L985 D989 I991 G1010 R1011 | L983-L1008 HydrophobicContact CD1-CB 4.22Å; L983-L1008 HydrophobicContact CD2-CB 4.33Å; L985-L1008 HydrophobicContact CD2-CD2 3.77Å; D989-L1008 HydrophobicContact CB-CD1 4.12Å; D989-L1008 HydrophobicContact CB-CD2 4.08Å; I991-L1008 HydrophobicContact CG1-CB 4.32Å; I991-L1008 HydrophobicContact CG1-CD1 4.41Å; I991-L1008 HydrophobicContact CG1-CD2 4.24Å; L1008-G1010 VanDerWaalsContact C-N 3.32Å; L1008-G1010 PolarHBondContact O-N 2.93Å; L1008-G1010 VanDerWaalsContact O-N 3.16Å; L1008-R1011 PolarHBondContact N-O 2.83Å; L1008-R1011 PolarHBondContact O-N 3.3Å |
| 1009 | N | 89.7 | Confident | 93.7 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.6 | 54.2 | 174 | -61.9 | -15.4 | 0 | 0 | 0 | 113.9 | N872 C873 R1011 | N872-N1009 WeakPolarHBondContact O-CB 3.33Å; N872-N1009 PolarHBondContact O-ND2 3.17Å; N872-N1009 VanDerWaalsContact O-ND2 3.15Å; C873-N1009 PolarHBondContact SG-O 3.43Å; N1009-R1011 VanDerWaalsContact C-N 3.33Å; N1009-R1011 PolarHBondContact O-N 3.11Å |
| 1010 | G | 88.2 | Confident | 94 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 5.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q958 W1007 L1008 | Q958-G1010 PolarHBondContact N-O 3.26Å; Q958-G1010 CarbonylContact O-C 3.6Å; Q958-G1010 WeakPolarHBondContact O-CA 3.49Å; W1007-G1010 VanDerWaalsContact CZ2-N 3.31Å; L1008-G1010 VanDerWaalsContact C-N 3.32Å; L1008-G1010 PolarHBondContact O-N 2.93Å; L1008-G1010 VanDerWaalsContact O-N 3.16Å |
| 1011 | R | 91.4 | Very high | 94.4 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.8 | 177.3 | -71.9 | -176.6 | 66.6 | -146.2 | -3.6 | 111.7 | Y955 T980 F982 L983 W1007 L1008 N1009 | Y955-R1011 VanDerWaalsContact CD1-NE 3.29Å; Y955-R1011 VanDerWaalsContact CE1-CZ 3.46Å; Y955-R1011 VanDerWaalsContact CE1-NH2 3.33Å; T980-R1011 PolarHBondContact O-NH2 3.25Å; F982-R1011 PolarHBondContact O-NH2 3.39Å; F982-R1011 VanDerWaalsContact O-NH2 3.1Å; L983-R1011 HydrophobicContact CD2-CB 3.67Å; W1007-R1011 VanDerWaalsContact CA-O 3.3Å; W1007-R1011 WeakPolarHBondContact CA-O 3.27Å; L1008-R1011 PolarHBondContact N-O 2.83Å; L1008-R1011 PolarHBondContact O-N 3.3Å; N1009-R1011 VanDerWaalsContact C-N 3.33Å; N1009-R1011 PolarHBondContact O-N 3.11Å |
| 1012 | I | 92.2 | Very high | 94.4 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 23% | 0.226 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.9 | 166 | -52.7 | 173.4 | 0 | 0 | 0 | 109.2 | Q958 P961 K1005 G1006 W1007 | Q958-I1012 HydrophobicContact CB-CD1 4.33Å; Q958-I1012 HydrophobicContact CB-CG1 4.19Å; P961-I1012 HydrophobicContact CG-CD1 4.23Å; K1005-I1012 HydrophobicContact CD-CG2 4.1Å; K1005-I1012 HydrophobicContact CG-CG2 3.75Å; G1006-I1012 VanDerWaalsContact O-CA 3.24Å; G1006-I1012 WeakPolarHBondContact O-CA 3.27Å; G1006-I1012 WeakPolarHBondContact O-CG2 3.37Å; W1007-I1012 HydrophobicContact CB-CG1 4.15Å; W1007-I1012 HydrophobicContact CG-CG1 4.34Å |
| 1013 | G | 93.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | -178.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R981 K1005 G1006 | R981-G1013 CarbonylContact O-C 3.53Å; R981-G1013 WeakPolarHBondContact O-CA 3.1Å; K1005-G1013 WeakPolarHBondContact CA-O 3.49Å; G1006-G1013 PolarHBondContact N-O 3.48Å; G1006-G1013 PolarHBondContact O-N 2.85Å |
| 1014 | F | 95.6 | Very high | 93.4 | Very high | 65 Ų | 65 | 48 Ų | 48 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 140.9 | -180 | -64.7 | -86.1 | 0 | 0 | 0 | 111 | R981 F982 L983 A998 W1003 W1004 K1005 | R981-F1014 HydrophobicContact CB-CD2 4.28Å; R981-F1014 PolarHBondContact O-N 2.82Å; F982-F1014 CarbonylContact C-O 3.52Å; F982-F1014 WeakPolarHBondContact CA-O 3.16Å; F982-F1014 HydrophobicContact CD1-CB 3.96Å; F982-F1014 HydrophobicContact CE1-CB 4.29Å; L983-F1014 PolarHBondContact N-O 2.79Å; A998-F1014 HydrophobicContact CB-CE1 4.18Å; W1003-F1014 HydrophobicContact CB-CD1 4.39Å; W1003-F1014 HydrophobicContact CE3-CB 4.08Å; W1004-F1014 CarbonylContact O-C 3.53Å; W1004-F1014 VanDerWaalsContact O-CA 3.27Å; W1004-F1014 WeakPolarHBondContact O-CA 3.28Å; K1005-F1014 HydrophobicContact CB-CD1 4.03Å; K1005-F1014 HydrophobicContact CB-CE1 3.93Å; K1005-F1014 HydrophobicContact CD-CE1 4.44Å; K1005-F1014 HydrophobicContact CD-CZ 4.21Å; K1005-F1014 HydrophobicContact CG-CE1 4.42Å |
| 1015 | F | 96.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 152.7 | 173.6 | 63.8 | -85.3 | 0 | 0 | 0 | 109.6 | V968 L983 L985 I991 V993 W1004 M1017 V1020 | V968-F1015 HydrophobicContact CG2-CE2 4.2Å; V968-F1015 HydrophobicContact CG2-CZ 4.11Å; L983-F1015 HydrophobicContact CB-CB 4.35Å; L983-F1015 HydrophobicContact CD1-CD1 4.28Å; L985-F1015 HydrophobicContact CD1-CB 3.89Å; L985-F1015 HydrophobicContact CD1-CD2 4.02Å; L985-F1015 HydrophobicContact CD1-CG 4.2Å; L985-F1015 HydrophobicContact CD2-CB 4.31Å; L985-F1015 HydrophobicContact CG-CB 4.23Å; I991-F1015 HydrophobicContact CG2-CD1 4.25Å; I991-F1015 HydrophobicContact CG2-CE1 3.68Å; I991-F1015 HydrophobicContact CG2-CZ 3.97Å; V993-F1015 HydrophobicContact CG2-CZ 4.26Å; W1004-F1015 HydrophobicContact CB-CE1 4.06Å; W1004-F1015 HydrophobicContact CB-CE2 4.14Å; W1004-F1015 HydrophobicContact CB-CZ 3.71Å; W1004-F1015 HydrophobicContact CE3-CE2 4.32Å; W1004-F1015 HydrophobicContact CE3-CZ 4.3Å; W1004-F1015 PolarHBondContact N-O 3.46Å; W1004-F1015 WeakPolarHBondContact O-CD1 3.2Å; W1004-F1015 PolarHBondContact O-N 2.86Å; F1015-M1017 PolarHBondContact O-N 3.06Å; F1015-V1020 HydrophobicContact CD2-CG1 3.85Å; F1015-V1020 HydrophobicContact CE2-CB 4.41Å; F1015-V1020 HydrophobicContact CE2-CG1 3.69Å; F1015-V1020 HydrophobicContact CE2-CG2 3.83Å |
| 1016 | P | 96.5 | Very high | 89 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126.1 | -176.8 | 25.9 | -31.2 | 0 | 0 | 0 | 110.3 | F974 G1002 W1003 S1018 F1019 | F974-P1016 HydrophobicContact CB-CG 4.4Å; F974-P1016 HydrophobicContact CD1-CG 4.32Å; F974-P1016 HydrophobicContact CD2-CG 3.79Å; F974-P1016 HydrophobicContact CE2-CG 4.15Å; F974-P1016 HydrophobicContact CG-CG 3.9Å; G1002-P1016 WeakPolarHBondContact O-CA 3.44Å; W1003-P1016 HydrophobicContact CE3-CB 4.46Å; W1003-P1016 HydrophobicContact CH2-CB 4.46Å; W1003-P1016 HydrophobicContact CZ3-CB 4.29Å; W1003-P1016 HydrophobicContact CZ3-CG 4.34Å; P1016-S1018 PolarHBondContact O-N 3.21Å; P1016-F1019 HydrophobicContact CB-CD2 3.74Å; P1016-F1019 HydrophobicContact CB-CE2 4.22Å; P1016-F1019 HydrophobicContact CB-CG 4.33Å; P1016-F1019 HydrophobicContact CG-CB 3.99Å; P1016-F1019 HydrophobicContact CG-CD1 4.2Å; P1016-F1019 HydrophobicContact CG-CD2 3.45Å; P1016-F1019 VanDerWaalsContact CG-CD2 3.45Å; P1016-F1019 HydrophobicContact CG-CE2 3.95Å; P1016-F1019 HydrophobicContact CG-CG 3.61Å; P1016-F1019 PolarHBondContact O-N 3.29Å; P1016-F1019 VanDerWaalsContact O-N 3.12Å |
| 1017 | M | 93.8 | Very high | 88.6 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 29% | 0.286 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -64.7 | -25.1 | -177 | 71.3 | 174.2 | -78 | 0 | 0 | 112.6 | E999 G1002 W1004 F1015 F1019 V1020 | E999-M1017 HydrophobicContact CG-CE 4.32Å; E999-M1017 HydrophobicContact CG-SD 3.74Å; G1002-M1017 WeakPolarHBondContact O-CG 3.3Å; G1002-M1017 PolarHBondContact O-N 2.91Å; W1004-M1017 HydrophobicContact CD2-CB 3.83Å; W1004-M1017 HydrophobicContact CE3-CB 4.13Å; W1004-M1017 HydrophobicContact CG-CB 4.09Å; W1004-M1017 HydrophobicContact CZ2-CB 4.41Å; W1004-M1017 HydrophobicContact CZ2-CE 3.96Å; F1015-M1017 PolarHBondContact O-N 3.06Å; M1017-F1019 PolarHBondContact O-N 3.47Å; M1017-V1020 WeakPolarHBondContact O-CG2 3.14Å; M1017-V1020 PolarHBondContact O-N 3.41Å |
| 1018 | S | 95.4 | Very high | 88.3 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -70.6 | -13.9 | 178.5 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | P1016 | P1016-S1018 PolarHBondContact O-N 3.21Š|
| 1019 | F | 97.4 | Very high | 87.9 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 27% | 0.272 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -89.7 | -6.1 | -177.4 | -79.9 | -127.4 | 0 | 0 | 0 | 112.8 | N971 F972 D973 F974 L985 P1016 M1017 | N971-F1019 PolarHBondContact N-O 2.81Å; F972-F1019 HydrophobicContact CB-CD1 3.67Å; F972-F1019 HydrophobicContact CB-CE1 4.09Å; F972-F1019 HydrophobicContact CB-CG 4.36Å; D973-F1019 VanDerWaalsContact O-CE1 3.28Å; D973-F1019 WeakPolarHBondContact O-CE1 3.34Å; F974-F1019 HydrophobicContact CB-CD1 3.74Å; F974-F1019 HydrophobicContact CB-CE1 3.96Å; F974-F1019 HydrophobicContact CD2-CE1 4.32Å; L985-F1019 HydrophobicContact CD1-CB 4.47Å; P1016-F1019 HydrophobicContact CB-CD2 3.74Å; P1016-F1019 HydrophobicContact CB-CE2 4.22Å; P1016-F1019 HydrophobicContact CB-CG 4.33Å; P1016-F1019 HydrophobicContact CG-CB 3.99Å; P1016-F1019 HydrophobicContact CG-CD1 4.2Å; P1016-F1019 HydrophobicContact CG-CD2 3.45Å; P1016-F1019 VanDerWaalsContact CG-CD2 3.45Å; P1016-F1019 HydrophobicContact CG-CE2 3.95Å; P1016-F1019 HydrophobicContact CG-CG 3.61Å; P1016-F1019 PolarHBondContact O-N 3.29Å; P1016-F1019 VanDerWaalsContact O-N 3.12Å; M1017-F1019 PolarHBondContact O-N 3.47Å |
| 1020 | V | 96.5 | Very high | 87.8 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 9% | 0.085 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152.7 | -172.3 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | V968 R969 A970 L985 I991 W1004 F1015 M1017 | V968-V1020 HydrophobicContact CB-CB 3.91Å; V968-V1020 HydrophobicContact CB-CG2 3.86Å; V968-V1020 HydrophobicContact CG1-CG2 4.1Å; V968-V1020 HydrophobicContact CG2-CB 3.92Å; V968-V1020 HydrophobicContact CG2-CG1 4.09Å; V968-V1020 HydrophobicContact CG2-CG2 3.88Å; R969-V1020 CarbonylContact O-C 3.21Å; R969-V1020 WeakPolarHBondContact O-CA 3.22Å; R969-V1020 WeakPolarHBondContact O-CB 3.2Å; A970-V1020 HydrophobicContact CB-CG1 4.46Å; L985-V1020 HydrophobicContact CD1-CG1 4.04Å; I991-V1020 HydrophobicContact CD1-CG1 4.13Å; W1004-V1020 HydrophobicContact CE3-CG2 4.22Å; W1004-V1020 HydrophobicContact CZ3-CG2 4.05Å; F1015-V1020 HydrophobicContact CD2-CG1 3.85Å; F1015-V1020 HydrophobicContact CE2-CB 4.41Å; F1015-V1020 HydrophobicContact CE2-CG1 3.69Å; F1015-V1020 HydrophobicContact CE2-CG2 3.83Å; M1017-V1020 WeakPolarHBondContact O-CG2 3.14Å; M1017-V1020 PolarHBondContact O-N 3.41Å |
| 1021 | T | 95.3 | Very high | 87.8 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.4 | 167.4 | -51.9 | 0 | 0 | 0 | 0 | 109.1 | V968 R969 N971 E1023 | V968-T1021 CarbonylContact C-O 3.58Å; V968-T1021 VanDerWaalsContact CA-O 3.27Å; V968-T1021 WeakPolarHBondContact CA-O 3.36Å; R969-T1021 PolarHBondContact N-O 2.71Å; R969-T1021 PolarHBondContact O-N 2.79Å; N971-T1021 PolarHBondContact ND2-N 3.22Å; N971-T1021 PolarHBondContact ND2-OG1 3.23Å; N971-T1021 PolarHBondContact OD1-OG1 3.44Å; T1021-E1023 PolarHBondContact O-N 3.33Å |
| 1022 | R | 92.2 | Very high | 87.6 | Confident | 135 Ų | 135 | 68.8 Ų | 68.8 | 51% | 0.509 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 130.7 | 174.3 | -171.9 | 172 | -174.6 | 169.5 | -0.1 | 110.4 | F966 V968 L1024 | F966-R1022 HydrophobicContact CD2-CG 3.83Å; F966-R1022 HydrophobicContact CE2-CG 4.21Å; F966-R1022 HydrophobicContact CG-CG 4.49Å; V968-R1022 HydrophobicContact CG1-CB 4.46Å; R1022-L1024 PolarHBondContact O-N 3.41Å |
| 1023 | E | 89.4 | Confident | 87.2 | Confident | 50 Ų | 50 | 70.6 Ų | 70.6 | 23% | 0.234 | 43% | 0.431 | C | S | . | . | trans | -71.4 | 119.2 | 168.2 | -72 | -172 | 164.3 | 0 | 0 | 108 | Y967 R969 R990 T1021 S1025 | Y967-E1023 PolarHBondContact O-N 3.16Å; R969-E1023 HydrophobicContact CB-CG 4.43Å; R969-E1023 IonicContact CZ-OE1 3.87Å; R969-E1023 VanDerWaalsContact CZ-OE1 3.31Å; R969-E1023 IonicContact NE-OE1 2.71Å; R969-E1023 PolarHBondContact NE-OE1 2.99Å; R969-E1023 IonicContact NH2-OE1 3.13Å; R969-E1023 PolarHBondContact NH2-OE1 3.26Å; R990-E1023 IonicContact CZ-OE2 3.5Å; R990-E1023 IonicContact NE-OE1 3.76Å; R990-E1023 PolarHBondContact NE-OE1 3.42Å; R990-E1023 IonicContact NE-OE2 2.73Å; R990-E1023 PolarHBondContact NE-OE2 2.65Å; R990-E1023 IonicContact NH2-OE2 2.81Å; R990-E1023 PolarHBondContact NH2-OE2 2.78Å; T1021-E1023 PolarHBondContact O-N 3.33Å; E1023-S1025 PolarHBondContact O-N 3.26Å | ||
| 1024 | L | 79.8 | Confident | 86.8 | Confident | 166 Ų | 166 | 75.8 Ų | 75.8 | 87% | 0.869 | 46% | 0.463 | S | S | * | . | trans | -71 | 113.2 | 168.5 | -66.5 | 166.5 | 0 | 0 | 0 | 106.6 | R1022 G1026 | R1022-L1024 PolarHBondContact O-N 3.41Å; L1024-G1026 PolarHBondContact O-N 2.84Å; L1024-G1026 VanDerWaalsContact O-N 3.12Å | ||
| 1025 | S | 60.2 | Low | 86 | Confident | 116 Ų | 116 | 76.8 Ų | 76.8 | 81% | 0.811 | 48% | 0.477 | S | S | * | . | trans | -60.2 | 113.2 | 167.5 | 47.5 | 0 | 0 | 0 | 0 | 108 | E1023 | E1023-S1025 PolarHBondContact O-N 3.26Š| ||
| 1026 | G | 40 | Very low | 85.1 | Confident | 149 Ų | 149 | 83.7 Ų | 83.7 | 100% | 1.536 | 52% | 0.521 | S | S | * | . | trans | -69.5 | 0 | 167 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1024 | L1024-G1026 PolarHBondContact O-N 2.84Å; L1024-G1026 VanDerWaalsContact O-N 3.12Å |
Retrieved 1,026 of 1,026 residues in 222.7 ms
(Link to these results)