| 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 | 41.5 | Very low | 67 | Low | 237 Ų | 237 | 93.9 Ų | 93.9 | 100% | 1.167 | 48% | 0.483 | S | S | * | . | 0 | 120.6 | 0 | -72.3 | 178.3 | -165.1 | 0 | 0 | 106.3 | Q3 | M1-Q3 PolarHBondContact O-N 2.99Š| |||
| 2 | S | 53 | Low | 67.2 | Low | 65 Ų | 65 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | trans | -61.7 | 132.8 | -178.4 | 146.3 | 0 | 0 | 0 | 0 | 109.3 | D4 Q7 | S2-D4 PolarHBondContact O-N 3.31Å; S2-D4 PolarHBondContact OG-N 3.41Å; S2-Q7 VanDerWaalsContact OG-CD 3.23Å; S2-Q7 PolarHBondContact OG-OE1 3.32Å | ||
| 3 | Q | 69 | Low | 67 | Low | 159 Ų | 159 | 103.1 Ų | 103.1 | 74% | 0.743 | 52% | 0.515 | S | S | * | . | trans | -83 | 3.2 | 179.7 | -68.9 | -175.3 | 3.8 | 0 | 0 | 112.4 | M1 P5 F23 | M1-Q3 PolarHBondContact O-N 2.99Å; Q3-P5 WeakPolarHBondContact O-CD 3.13Å; Q3-F23 VanDerWaalsContact C-CE2 3.49Å; Q3-F23 HydrophobicContact CB-CE2 3.75Å; Q3-F23 HydrophobicContact CB-CZ 3.75Å; Q3-F23 VanDerWaalsContact O-CE2 3.28Å; Q3-F23 WeakPolarHBondContact O-CE2 3.32Å | ||
| 4 | D | 73.3 | Confident | 67.1 | Low | 9 Ų | 9 | 105 Ų | 105 | 5% | 0.048 | 52% | 0.515 | C | S | . | . | trans | -79.5 | 108.5 | -179.5 | -179.2 | 5.4 | 0 | 0 | 0 | 110.6 | S2 F6 Q7 P19 S20 F23 | S2-D4 PolarHBondContact O-N 3.31Å; S2-D4 PolarHBondContact OG-N 3.41Å; D4-F6 PolarHBondContact O-N 3.03Å; D4-F6 VanDerWaalsContact O-N 3.08Å; D4-F6 PolarHBondContact OD1-N 3.44Å; D4-Q7 HydrophobicContact CB-CB 4.21Å; D4-Q7 WeakPolarHBondContact O-CB 3.44Å; D4-Q7 PolarHBondContact O-N 3.37Å; D4-Q7 VanDerWaalsContact O-N 3.14Å; D4-P19 WeakPolarHBondContact OD2-CA 3.33Å; D4-S20 PolarHBondContact OD1-OG 3.02Å; D4-S20 WeakPolarHBondContact OD2-CB 3.43Å; D4-S20 PolarHBondContact OD2-N 2.9Å; D4-S20 PolarHBondContact OD2-OG 3.21Å; D4-F23 HydrophobicContact CB-CB 4.1Å; D4-F23 HydrophobicContact CB-CD1 4.08Å; D4-F23 HydrophobicContact CB-CD2 4.07Å; D4-F23 HydrophobicContact CB-CG 3.81Å | ||
| 5 | P | 67.2 | Low | 66.8 | Low | 95 Ų | 95 | 105.1 Ų | 105.1 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.8 | -179.9 | 27.6 | -32.9 | 0 | 0 | 0 | 112.8 | Q3 | Q3-P5 WeakPolarHBondContact O-CD 3.13Š|
| 6 | F | 75.8 | Confident | 66.9 | Low | 81 Ų | 81 | 103.4 Ų | 103.4 | 36% | 0.355 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 13.5 | 179.4 | -55 | -75.6 | 0 | 0 | 0 | 113.1 | D4 E8 R9 E10 E22 | D4-F6 PolarHBondContact O-N 3.03Å; D4-F6 VanDerWaalsContact O-N 3.08Å; D4-F6 PolarHBondContact OD1-N 3.44Å; F6-E8 VanDerWaalsContact C-N 3.31Å; F6-E8 PolarHBondContact O-N 3.5Å; F6-R9 WeakPolarHBondContact O-CB 3.47Å; F6-R9 PolarHBondContact O-N 3.29Å; F6-E10 PolarHBondContact O-N 3.43Å; F6-E22 HydrophobicContact CD2-CB 3.74Å; F6-E22 HydrophobicContact CD2-CG 4.19Å; F6-E22 HydrophobicContact CE2-CB 3.57Å; F6-E22 HydrophobicContact CE2-CG 3.92Å; F6-E22 HydrophobicContact CZ-CG 4.46Å |
| 7 | Q | 71.8 | Confident | 67.2 | Low | 82 Ų | 82 | 99.2 Ų | 99.2 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | -177.5 | -167.7 | -178.2 | 13.4 | 0 | 0 | 112.9 | S2 D4 R9 E10 A11 | S2-Q7 VanDerWaalsContact OG-CD 3.23Å; S2-Q7 PolarHBondContact OG-OE1 3.32Å; D4-Q7 HydrophobicContact CB-CB 4.21Å; D4-Q7 WeakPolarHBondContact O-CB 3.44Å; D4-Q7 PolarHBondContact O-N 3.37Å; D4-Q7 VanDerWaalsContact O-N 3.14Å; Q7-R9 VanDerWaalsContact C-N 3.34Å; Q7-R9 PolarHBondContact O-N 3.42Å; Q7-E10 PolarHBondContact O-N 3Å; Q7-A11 WeakPolarHBondContact O-CB 3.44Å; Q7-A11 PolarHBondContact O-N 3.33Å |
| 8 | E | 67.7 | Low | 67.9 | Low | 168 Ų | 168 | 94.6 Ų | 94.6 | 79% | 0.785 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 177.1 | -70.4 | -178.1 | 170.1 | 0 | 0 | 111.4 | F6 E10 A11 E12 | F6-E8 VanDerWaalsContact C-N 3.31Å; F6-E8 PolarHBondContact O-N 3.5Å; E8-E10 VanDerWaalsContact C-N 3.27Å; E8-E10 PolarHBondContact O-N 2.99Å; E8-A11 PolarHBondContact O-N 2.68Å; E8-A11 VanDerWaalsContact O-N 3.16Å; E8-E12 PolarHBondContact O-N 3.27Å; E8-E12 VanDerWaalsContact O-N 3.13Å |
| 9 | R | 77.3 | Confident | 68.8 | Low | 74 Ų | 74 | 90.5 Ų | 90.5 | 28% | 0.279 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 176 | -170.6 | -170.1 | 74.8 | -174.4 | -3.2 | 112.4 | F6 Q7 E22 | F6-R9 WeakPolarHBondContact O-CB 3.47Å; F6-R9 PolarHBondContact O-N 3.29Å; Q7-R9 VanDerWaalsContact C-N 3.34Å; Q7-R9 PolarHBondContact O-N 3.42Å; R9-E22 IonicContact CZ-OE1 3.4Å; R9-E22 IonicContact CZ-OE2 3.74Å; R9-E22 IonicContact NH1-OE1 3.9Å; R9-E22 PolarHBondContact NH1-OE1 3.01Å; R9-E22 IonicContact NH1-OE2 2.86Å; R9-E22 VanDerWaalsContact NH2-CD 3.31Å; R9-E22 IonicContact NH2-OE1 3.67Å; R9-E22 PolarHBondContact NH2-OE1 2.9Å; R9-E22 IonicContact NH2-OE2 3.4Å; R9-E22 PolarHBondContact NH2-OE2 3.41Å |
| 10 | E | 70.2 | Confident | 69.6 | Low | 12 Ų | 12 | 86 Ų | 86 | 6% | 0.056 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -77.1 | -34.3 | 178.5 | -63.5 | -60.2 | 140.6 | 0 | 0 | 112 | F6 Q7 E8 E12 K13 Y14 P17 R58 | F6-E10 PolarHBondContact O-N 3.43Å; Q7-E10 PolarHBondContact O-N 3Å; E8-E10 VanDerWaalsContact C-N 3.27Å; E8-E10 PolarHBondContact O-N 2.99Å; E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 3.25Å; E10-K13 PolarHBondContact O-N 3.02Å; E10-Y14 PolarHBondContact O-N 3.2Å; E10-P17 HydrophobicContact CB-CB 4.21Å; E10-R58 IonicContact OE2-CZ 2.67Å; E10-R58 VanDerWaalsContact OE2-CZ 3.31Å; E10-R58 IonicContact OE2-NH1 2.7Å; E10-R58 PolarHBondContact OE2-NH1 2.75Å; E10-R58 IonicContact OE2-NH2 3.44Å; E10-R58 PolarHBondContact OE2-NH2 3.41Å |
| 11 | A | 70.1 | Confident | 70.6 | Confident | 51 Ų | 51 | 85.4 Ų | 85.4 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -29.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | Q7 E8 K13 P17 | Q7-A11 WeakPolarHBondContact O-CB 3.44Å; Q7-A11 PolarHBondContact O-N 3.33Å; E8-A11 PolarHBondContact O-N 2.68Å; E8-A11 VanDerWaalsContact O-N 3.16Å; A11-K13 VanDerWaalsContact C-N 3.25Å; A11-K13 PolarHBondContact O-N 2.97Å; A11-P17 HydrophobicContact CB-CB 4.24Å; A11-P17 HydrophobicContact CB-CG 4.06Å |
| 12 | E | 69.1 | Low | 72.8 | Confident | 169 Ų | 169 | 77.4 Ų | 77.4 | 79% | 0.79 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.9 | 172.9 | -72.5 | -178.7 | 169.4 | 0 | 0 | 113.1 | E8 E10 | E8-E12 PolarHBondContact O-N 3.27Å; E8-E12 VanDerWaalsContact O-N 3.13Å; E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 3.25Å |
| 13 | K | 65.1 | Low | 74.5 | Confident | 138 Ų | 138 | 75.3 Ų | 75.3 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -25.6 | -174.2 | -69.3 | -179.3 | -178.7 | 174.8 | 0 | 113.7 | E10 A11 | E10-K13 PolarHBondContact O-N 3.02Å; A11-K13 VanDerWaalsContact C-N 3.25Å; A11-K13 PolarHBondContact O-N 2.97Å |
| 14 | Y | 68 | Low | 75.4 | Confident | 130 Ų | 130 | 67.8 Ų | 67.8 | 51% | 0.51 | 35% | 0.345 | S | S | . | . | trans | -140.8 | 135.6 | -171.2 | -56 | -73 | 0 | 0 | 0 | 112 | E10 N16 | E10-Y14 PolarHBondContact O-N 3.2Å; Y14-N16 PolarHBondContact O-N 2.88Å | ||
| 15 | A | 63.1 | Low | 76.2 | Confident | 106 Ų | 106 | 69.3 Ų | 69.3 | 88% | 0.876 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -61.4 | -28.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 16 | N | 68.2 | Low | 77.1 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -123.6 | 86.3 | 174 | -90.1 | -30.1 | 0 | 0 | 0 | 108.8 | Y14 E50 Q51 | Y14-N16 PolarHBondContact O-N 2.88Å; N16-E50 PolarHBondContact ND2-OE2 3Å; N16-Q51 HydrophobicContact CB-CG 4.47Å |
| 17 | P | 71.5 | Confident | 77.7 | Confident | 32 Ų | 32 | 67 Ų | 67 | 21% | 0.208 | 34% | 0.335 | C | S | . | . | trans | -64.8 | 139.7 | -176.3 | 25.2 | -32.3 | 0 | 0 | 0 | 110.7 | E10 A11 | E10-P17 HydrophobicContact CB-CB 4.21Å; A11-P17 HydrophobicContact CB-CB 4.24Å; A11-P17 HydrophobicContact CB-CG 4.06Å | ||
| 18 | I | 81.1 | Confident | 78.5 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | trans | -113.7 | 157.4 | 171.6 | 47.4 | 149.4 | 0 | 0 | 0 | 108.7 | S20 Q51 G54 R58 | I18-S20 PolarHBondContact O-N 3.07Å; I18-Q51 HydrophobicContact CG2-CB 4.01Å; I18-Q51 HydrophobicContact CG2-CG 4.36Å; I18-Q51 WeakPolarHBondContact CG2-O 3.44Å; I18-G54 VanDerWaalsContact CD1-C 3.42Å; I18-G54 VanDerWaalsContact CD1-O 3.29Å; I18-G54 WeakPolarHBondContact CD1-O 3.36Å; I18-R58 HydrophobicContact CD1-CB 3.62Å; I18-R58 HydrophobicContact CD1-CG 4.3Å; I18-R58 VanDerWaalsContact CD1-NE 3.33Å; I18-R58 PolarHBondContact O-NH1 2.68Å | ||
| 19 | P | 83.3 | Confident | 79.4 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | trans | -58.8 | 136.6 | -175.5 | -19.9 | 28.5 | 0 | 0 | 0 | 112.8 | D4 F23 I24 L44 I46 R58 | D4-P19 WeakPolarHBondContact OD2-CA 3.33Å; P19-F23 HydrophobicContact CB-CD1 3.72Å; P19-F23 HydrophobicContact CB-CE1 4.46Å; P19-I24 HydrophobicContact CB-CG1 4.45Å; P19-I24 WeakPolarHBondContact O-CD1 3.31Å; P19-L44 HydrophobicContact CG-CB 4.03Å; P19-L44 HydrophobicContact CG-CD1 4.32Å; P19-I46 HydrophobicContact CG-CD1 4.01Å; P19-I46 HydrophobicContact CG-CG1 4.45Å; P19-R58 VanDerWaalsContact O-CD 3.22Å; P19-R58 WeakPolarHBondContact O-CD 3.35Å; P19-R58 PolarHBondContact O-NH1 3.34Å | ||
| 20 | S | 86.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -55 | 158.8 | -176.4 | 69 | 0 | 0 | 0 | 0 | 112.8 | D4 I18 E22 F23 I24 | D4-S20 PolarHBondContact OD1-OG 3.02Å; D4-S20 WeakPolarHBondContact OD2-CB 3.43Å; D4-S20 PolarHBondContact OD2-N 2.9Å; D4-S20 PolarHBondContact OD2-OG 3.21Å; I18-S20 PolarHBondContact O-N 3.07Å; S20-E22 WeakPolarHBondContact CB-OE2 3.37Å; S20-E22 PolarHBondContact O-N 3.42Å; S20-F23 PolarHBondContact O-N 3.22Å; S20-F23 VanDerWaalsContact OG-CB 3.3Å; S20-F23 WeakPolarHBondContact OG-CB 3.45Å; S20-F23 PolarHBondContact OG-N 2.87Å; S20-F23 VanDerWaalsContact OG-N 3.11Å; S20-I24 WeakPolarHBondContact O-CG1 3.27Å; S20-I24 PolarHBondContact O-N 2.98Å | ||
| 21 | R | 90 | Very high | 80.5 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | 177.9 | -69.3 | -178.5 | 170.7 | -149.9 | 4.3 | 110.3 | I24 L25 R58 M62 D65 | R21-I24 PolarHBondContact O-N 3.32Å; R21-L25 VanDerWaalsContact O-CG 3.28Å; R21-L25 WeakPolarHBondContact O-CG 3.41Å; R21-L25 PolarHBondContact O-N 3.25Å; R21-R58 HydrophobicContact CG-CG 4.29Å; R21-M62 HydrophobicContact CB-CE 4.15Å; R21-M62 HydrophobicContact CB-CG 4.43Å; R21-M62 HydrophobicContact CB-SD 4.18Å; R21-M62 HydrophobicContact CG-CG 3.89Å; R21-M62 HydrophobicContact CG-SD 4.01Å; R21-M62 WeakPolarHBondContact O-CE 3.33Å; R21-D65 IonicContact CZ-OD2 3.66Å; R21-D65 VanDerWaalsContact CZ-OD2 3.24Å; R21-D65 IonicContact NH1-OD2 3.8Å; R21-D65 PolarHBondContact NH1-OD2 2.89Å; R21-D65 IonicContact NH2-OD2 3.83Å; R21-D65 PolarHBondContact NH2-OD2 3.04Å |
| 22 | E | 87.6 | Confident | 80.9 | Confident | 69 Ų | 69 | 70.6 Ų | 70.6 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 179 | -61.3 | 87 | 158.6 | 0 | 0 | 110.7 | F6 R9 S20 L25 E26 | F6-E22 HydrophobicContact CD2-CB 3.74Å; F6-E22 HydrophobicContact CD2-CG 4.19Å; F6-E22 HydrophobicContact CE2-CB 3.57Å; F6-E22 HydrophobicContact CE2-CG 3.92Å; F6-E22 HydrophobicContact CZ-CG 4.46Å; R9-E22 IonicContact CZ-OE1 3.4Å; R9-E22 IonicContact CZ-OE2 3.74Å; R9-E22 IonicContact NH1-OE1 3.9Å; R9-E22 PolarHBondContact NH1-OE1 3.01Å; R9-E22 IonicContact NH1-OE2 2.86Å; R9-E22 VanDerWaalsContact NH2-CD 3.31Å; R9-E22 IonicContact NH2-OE1 3.67Å; R9-E22 PolarHBondContact NH2-OE1 2.9Å; R9-E22 IonicContact NH2-OE2 3.4Å; R9-E22 PolarHBondContact NH2-OE2 3.41Å; S20-E22 WeakPolarHBondContact CB-OE2 3.37Å; S20-E22 PolarHBondContact O-N 3.42Å; E22-L25 PolarHBondContact O-N 3.46Å; E22-E26 WeakPolarHBondContact O-CB 2.88Å; E22-E26 PolarHBondContact O-N 3.33Å |
| 23 | F | 87.4 | Confident | 81.7 | Confident | 22 Ų | 22 | 70 Ų | 70 | 10% | 0.096 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 177.9 | -171 | -109.2 | 0 | 0 | 0 | 112.4 | Q3 D4 P19 S20 L25 E26 H27 L44 | Q3-F23 VanDerWaalsContact C-CE2 3.49Å; Q3-F23 HydrophobicContact CB-CE2 3.75Å; Q3-F23 HydrophobicContact CB-CZ 3.75Å; Q3-F23 VanDerWaalsContact O-CE2 3.28Å; Q3-F23 WeakPolarHBondContact O-CE2 3.32Å; D4-F23 HydrophobicContact CB-CB 4.1Å; D4-F23 HydrophobicContact CB-CD1 4.08Å; D4-F23 HydrophobicContact CB-CD2 4.07Å; D4-F23 HydrophobicContact CB-CG 3.81Å; P19-F23 HydrophobicContact CB-CD1 3.72Å; P19-F23 HydrophobicContact CB-CE1 4.46Å; S20-F23 PolarHBondContact O-N 3.22Å; S20-F23 VanDerWaalsContact OG-CB 3.3Å; S20-F23 WeakPolarHBondContact OG-CB 3.45Å; S20-F23 PolarHBondContact OG-N 2.87Å; S20-F23 VanDerWaalsContact OG-N 3.11Å; F23-L25 VanDerWaalsContact C-N 3.33Å; F23-L25 PolarHBondContact O-N 2.97Å; F23-E26 PolarHBondContact O-N 2.76Å; F23-H27 VanDerWaalsContact O-CB 3.31Å; F23-H27 WeakPolarHBondContact O-CB 3.34Å; F23-H27 PolarHBondContact O-N 3.1Å; F23-L44 HydrophobicContact CD1-CD2 3.75Å; F23-L44 HydrophobicContact CE1-CD2 3.42Å; F23-L44 VanDerWaalsContact CE1-CD2 3.42Å; F23-L44 HydrophobicContact CZ-CD2 4.47Å |
| 24 | I | 89.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 175 | -66.3 | 168.2 | 0 | 0 | 0 | 111 | P19 S20 R21 L28 L44 L55 R58 L59 M62 L68 | P19-I24 HydrophobicContact CB-CG1 4.45Å; P19-I24 WeakPolarHBondContact O-CD1 3.31Å; S20-I24 WeakPolarHBondContact O-CG1 3.27Å; S20-I24 PolarHBondContact O-N 2.98Å; R21-I24 PolarHBondContact O-N 3.32Å; I24-L28 HydrophobicContact CG2-CD1 3.98Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 WeakPolarHBondContact O-CG 3.5Å; I24-L28 PolarHBondContact O-N 2.88Å; I24-L44 HydrophobicContact CG1-CD1 4.03Å; I24-L55 HydrophobicContact CD1-CD1 4.01Å; I24-R58 HydrophobicContact CD1-CG 3.89Å; I24-L59 HydrophobicContact CG2-CD2 3.9Å; I24-M62 HydrophobicContact CB-CE 3.99Å; I24-M62 HydrophobicContact CB-SD 4.23Å; I24-M62 HydrophobicContact CD1-SD 4.01Å; I24-M62 HydrophobicContact CG2-CE 3.82Å; I24-M62 HydrophobicContact CG2-SD 4.06Å; I24-L68 HydrophobicContact CG2-CD1 4.4Å |
| 25 | L | 88.7 | Confident | 83.7 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 177 | -72.9 | 171.5 | 0 | 0 | 0 | 111.5 | R21 E22 F23 H27 L28 T29 M62 Q67 L68 L78 | R21-L25 VanDerWaalsContact O-CG 3.28Å; R21-L25 WeakPolarHBondContact O-CG 3.41Å; R21-L25 PolarHBondContact O-N 3.25Å; E22-L25 PolarHBondContact O-N 3.46Å; F23-L25 VanDerWaalsContact C-N 3.33Å; F23-L25 PolarHBondContact O-N 2.97Å; L25-H27 VanDerWaalsContact C-N 3.32Å; L25-H27 PolarHBondContact O-N 3.14Å; L25-L28 PolarHBondContact O-N 2.89Å; L25-T29 WeakPolarHBondContact O-CB 3.47Å; L25-T29 PolarHBondContact O-N 2.77Å; L25-T29 PolarHBondContact O-OG1 3.02Å; L25-M62 HydrophobicContact CD1-CE 4.3Å; L25-M62 HydrophobicContact CD2-CE 3.84Å; L25-M62 HydrophobicContact CG-CE 3.62Å; L25-Q67 HydrophobicContact CD2-CB 4.23Å; L25-L68 HydrophobicContact CD2-CD2 3.96Å; L25-L78 HydrophobicContact CD2-CD2 3.47Å; L25-L78 VanDerWaalsContact CD2-CD2 3.47Å |
| 26 | E | 87.7 | Confident | 85 | Confident | 84 Ų | 84 | 56 Ų | 56 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 177.6 | -165.8 | -168.3 | 156.4 | 0 | 0 | 111.3 | E22 F23 T29 K30 | E22-E26 WeakPolarHBondContact O-CB 2.88Å; E22-E26 PolarHBondContact O-N 3.33Å; F23-E26 PolarHBondContact O-N 2.76Å; E26-T29 WeakPolarHBondContact O-CB 3.25Å; E26-T29 PolarHBondContact O-N 3.45Å; E26-T29 VanDerWaalsContact O-N 3.14Å; E26-K30 WeakPolarHBondContact O-CG 3.01Å; E26-K30 PolarHBondContact O-N 2.89Å; E26-K30 VanDerWaalsContact O-N 3.15Å; E26-K30 VanDerWaalsContact OE1-CE 3.29Å; E26-K30 WeakPolarHBondContact OE1-CE 3.44Å; E26-K30 IonicContact OE1-NZ 2.66Å; E26-K30 PolarHBondContact OE1-NZ 3.08Å |
| 27 | H | 88.3 | Confident | 86.1 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 178 | -166.6 | 76.8 | 0 | 0 | 0 | 112 | F23 L25 T29 K30 R31 E43 L44 | F23-H27 VanDerWaalsContact O-CB 3.31Å; F23-H27 WeakPolarHBondContact O-CB 3.34Å; F23-H27 PolarHBondContact O-N 3.1Å; L25-H27 VanDerWaalsContact C-N 3.32Å; L25-H27 PolarHBondContact O-N 3.14Å; H27-T29 PolarHBondContact O-N 2.68Å; H27-K30 PolarHBondContact O-N 3.29Å; H27-K30 VanDerWaalsContact O-N 3.1Å; H27-R31 PolarHBondContact O-N 3.36Å; H27-E43 IonicContact CD2-OE2 3.94Å; H27-E43 IonicContact CE1-OE2 2.88Å; H27-E43 WeakPolarHBondContact NE2-CB 3.4Å; H27-E43 IonicContact NE2-OE2 2.76Å; H27-E43 PolarHBondContact NE2-OE2 2.79Å; H27-L44 HydrophobicContact CB-CD2 4.33Å |
| 28 | L | 88.1 | Confident | 87 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -26.8 | 174.7 | -74.7 | 170 | 0 | 0 | 0 | 112.9 | I24 L25 K30 R31 A35 L40 L68 L78 R81 | I24-L28 HydrophobicContact CG2-CD1 3.98Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 WeakPolarHBondContact O-CG 3.5Å; I24-L28 PolarHBondContact O-N 2.88Å; L25-L28 PolarHBondContact O-N 2.89Å; L28-K30 VanDerWaalsContact C-N 3.26Å; L28-K30 PolarHBondContact O-N 2.94Å; L28-R31 PolarHBondContact O-N 2.75Å; L28-A35 HydrophobicContact CD2-CB 3.94Å; L28-L40 HydrophobicContact CD2-CD1 4.5Å; L28-L40 HydrophobicContact CD2-CD2 3.95Å; L28-L40 HydrophobicContact CG-CD2 4.26Å; L28-L68 HydrophobicContact CD1-CD1 4.16Å; L28-L68 HydrophobicContact CD1-CD2 3.32Å; L28-L68 HydrophobicContact CD1-CG 4.41Å; L28-L78 HydrophobicContact CB-CD1 4.37Å; L28-L78 HydrophobicContact CB-CD2 4.39Å; L28-L78 HydrophobicContact CB-CG 4.09Å; L28-R81 VanDerWaalsContact O-CZ 3.23Å; L28-R81 PolarHBondContact O-NH1 3.31Å; L28-R81 VanDerWaalsContact O-NH1 3.16Å; L28-R81 PolarHBondContact O-NH2 2.96Å |
| 29 | T | 85.8 | Confident | 87.5 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.3 | -23.9 | 174.6 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | L25 E26 H27 L78 R81 | L25-T29 WeakPolarHBondContact O-CB 3.47Å; L25-T29 PolarHBondContact O-N 2.77Å; L25-T29 PolarHBondContact O-OG1 3.02Å; E26-T29 WeakPolarHBondContact O-CB 3.25Å; E26-T29 PolarHBondContact O-N 3.45Å; E26-T29 VanDerWaalsContact O-N 3.14Å; H27-T29 PolarHBondContact O-N 2.68Å; T29-L78 VanDerWaalsContact OG1-CD1 3.3Å; T29-L78 WeakPolarHBondContact OG1-CD1 3.06Å; T29-R81 PolarHBondContact O-NH2 2.96Å |
| 30 | K | 86 | Confident | 87.8 | Confident | 137 Ų | 137 | 62 Ų | 62 | 60% | 0.596 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -88.3 | -20.9 | 177.1 | -68.5 | 172.8 | -174.1 | 166.2 | 0 | 114 | E26 H27 L28 | E26-K30 WeakPolarHBondContact O-CG 3.01Å; E26-K30 PolarHBondContact O-N 2.89Å; E26-K30 VanDerWaalsContact O-N 3.15Å; E26-K30 VanDerWaalsContact OE1-CE 3.29Å; E26-K30 WeakPolarHBondContact OE1-CE 3.44Å; E26-K30 IonicContact OE1-NZ 2.66Å; E26-K30 PolarHBondContact OE1-NZ 3.08Å; H27-K30 PolarHBondContact O-N 3.29Å; H27-K30 VanDerWaalsContact O-N 3.1Å; L28-K30 VanDerWaalsContact C-N 3.26Å; L28-K30 PolarHBondContact O-N 2.94Å |
| 31 | R | 85.5 | Confident | 88 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 22% | 0.219 | 30% | 0.295 | C | S | . | . | trans | -67.4 | 174.5 | 177 | -66.2 | -173.6 | 70.7 | 84.2 | -20.6 | 110.4 | H27 L28 K33 E39 E43 R81 | H27-R31 PolarHBondContact O-N 3.36Å; L28-R31 PolarHBondContact O-N 2.75Å; R31-K33 PolarHBondContact NE-O 2.78Å; R31-E39 IonicContact NH2-OE2 3.67Å; R31-E39 PolarHBondContact NH2-OE2 3.29Å; R31-E43 IonicContact CZ-OE1 3.09Å; R31-E43 VanDerWaalsContact CZ-OE1 3.25Å; R31-E43 IonicContact CZ-OE2 2.92Å; R31-E43 IonicContact NH1-OE1 3.75Å; R31-E43 PolarHBondContact NH1-OE1 3.29Å; R31-E43 IonicContact NH1-OE2 3.89Å; R31-E43 PolarHBondContact NH1-OE2 2.7Å; R31-E43 IonicContact NH2-OE1 2.78Å; R31-E43 PolarHBondContact NH2-OE1 2.71Å; R31-R81 PolarHBondContact O-NH1 3.09Å; R31-R81 PolarHBondContact O-NH2 3.15Å | ||
| 32 | E | 78.6 | Confident | 88 | Confident | 182 Ų | 182 | 63.9 Ų | 63.9 | 85% | 0.85 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -109.6 | -31.2 | 158.9 | -73 | -175.6 | 163.2 | 0 | 0 | 111.4 | ||
| 33 | K | 84.2 | Confident | 88.1 | Confident | 156 Ų | 156 | 63.4 Ų | 63.4 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -104.8 | 151.1 | -175.8 | -62.9 | 177.4 | -175.7 | 172.2 | 0 | 110.9 | R31 | R31-K33 PolarHBondContact NE-O 2.78Š|
| 34 | P | 85.6 | Confident | 88.2 | Confident | 54 Ų | 54 | 63 Ų | 63 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | trans | -51.1 | 148.4 | 167.6 | -24.9 | 34.4 | 0 | 0 | 0 | 111.4 | C75 Y76 A77 | P34-C75 HydrophobicContact CB-CB 3.52Å; P34-Y76 CarbonylContact C-O 3.58Å; P34-Y76 VanDerWaalsContact CA-O 3.29Å; P34-Y76 WeakPolarHBondContact CA-O 3.42Å; P34-A77 HydrophobicContact CB-CB 4.05Å; P34-A77 HydrophobicContact CG-CB 4.01Å | ||
| 35 | A | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L28 E39 L40 C75 Y76 | L28-A35 HydrophobicContact CD2-CB 3.94Å; A35-E39 VanDerWaalsContact CA-OE2 3.23Å; A35-E39 WeakPolarHBondContact CA-OE2 3.38Å; A35-E39 HydrophobicContact CB-CB 4.5Å; A35-L40 HydrophobicContact CB-CD1 4.25Å; A35-L40 HydrophobicContact CB-CD2 3.79Å; A35-L40 HydrophobicContact CB-CG 3.67Å; A35-C75 CarbonylContact O-C 3.56Å; A35-C75 VanDerWaalsContact O-CA 3.26Å; A35-C75 WeakPolarHBondContact O-CA 3.26Å; A35-Y76 PolarHBondContact N-O 3.05Å; A35-Y76 PolarHBondContact O-N 2.84Å |
| 36 | S | 92 | Very high | 87.9 | Confident | 28 Ų | 28 | 69 Ų | 69 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 162.8 | 168 | 77.4 | 0 | 0 | 0 | 0 | 110.8 | D38 E39 L40 | S36-D38 PolarHBondContact O-N 3.38Å; S36-D38 PolarHBondContact OG-N 3.07Å; S36-E39 PolarHBondContact N-OE2 3.29Å; S36-E39 PolarHBondContact O-N 2.99Å; S36-E39 VanDerWaalsContact OG-CG 3.31Å; S36-E39 WeakPolarHBondContact OG-CG 3.44Å; S36-E39 PolarHBondContact OG-N 3.45Å; S36-E39 VanDerWaalsContact OG-N 3.08Å; S36-L40 WeakPolarHBondContact O-CG 3.49Å; S36-L40 PolarHBondContact O-N 2.78Å |
| 37 | R | 91.5 | Very high | 87.5 | Confident | 90 Ų | 90 | 73.3 Ų | 73.3 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.7 | -39.9 | 173.8 | -177.7 | -170.3 | 64.1 | 172.9 | -3.9 | 111.2 | L40 A41 L55 L59 Y76 | R37-L40 PolarHBondContact O-N 3.3Å; R37-A41 WeakPolarHBondContact O-CB 3.33Å; R37-A41 PolarHBondContact O-N 3.41Å; R37-L55 HydrophobicContact CG-CD2 4.26Å; R37-L59 HydrophobicContact CG-CD1 4.14Å; R37-Y76 HydrophobicContact CB-CE2 4.29Å |
| 38 | D | 89.4 | Confident | 87.3 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74.1 | -35.4 | -175 | -55.2 | -19.8 | 0 | 0 | 0 | 110.5 | S36 A41 V42 | S36-D38 PolarHBondContact O-N 3.38Å; S36-D38 PolarHBondContact OG-N 3.07Å; D38-A41 PolarHBondContact O-N 2.94Å; D38-V42 WeakPolarHBondContact O-CG2 3.23Å; D38-V42 PolarHBondContact O-N 3.44Å |
| 39 | E | 90.7 | Very high | 87.2 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 38% | 0.383 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 168.3 | -73.8 | 172.4 | 170.8 | 0 | 0 | 111.5 | R31 A35 S36 A41 V42 E43 | R31-E39 IonicContact NH2-OE2 3.67Å; R31-E39 PolarHBondContact NH2-OE2 3.29Å; A35-E39 VanDerWaalsContact CA-OE2 3.23Å; A35-E39 WeakPolarHBondContact CA-OE2 3.38Å; A35-E39 HydrophobicContact CB-CB 4.5Å; S36-E39 PolarHBondContact N-OE2 3.29Å; S36-E39 PolarHBondContact O-N 2.99Å; S36-E39 VanDerWaalsContact OG-CG 3.31Å; S36-E39 WeakPolarHBondContact OG-CG 3.44Å; S36-E39 PolarHBondContact OG-N 3.45Å; S36-E39 VanDerWaalsContact OG-N 3.08Å; E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 2.86Å; E39-V42 PolarHBondContact O-N 3.04Å; E39-E43 WeakPolarHBondContact O-CB 3.13Å; E39-E43 WeakPolarHBondContact O-CG 3.37Å; E39-E43 PolarHBondContact O-N 3.22Å |
| 40 | L | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 175.9 | -72.4 | 173.6 | 0 | 0 | 0 | 112 | L28 A35 S36 R37 E43 L44 L55 L59 Y76 | L28-L40 HydrophobicContact CD2-CD1 4.5Å; L28-L40 HydrophobicContact CD2-CD2 3.95Å; L28-L40 HydrophobicContact CG-CD2 4.26Å; A35-L40 HydrophobicContact CB-CD1 4.25Å; A35-L40 HydrophobicContact CB-CD2 3.79Å; A35-L40 HydrophobicContact CB-CG 3.67Å; S36-L40 WeakPolarHBondContact O-CG 3.49Å; S36-L40 PolarHBondContact O-N 2.78Å; R37-L40 PolarHBondContact O-N 3.3Å; L40-E43 PolarHBondContact O-N 3.49Å; L40-L44 HydrophobicContact CB-CD1 4.31Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 WeakPolarHBondContact O-CD1 3.18Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 2.87Å; L40-L55 HydrophobicContact CB-CD2 4.49Å; L40-L59 HydrophobicContact CD1-CD1 4.03Å; L40-L59 HydrophobicContact CD1-CD2 3.99Å; L40-Y76 HydrophobicContact CD1-CD2 4.31Å |
| 41 | A | 90.6 | Very high | 87.2 | Confident | 5 Ų | 5 | 79.8 Ų | 79.8 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R37 D38 E39 H45 I46 L52 L55 | R37-A41 WeakPolarHBondContact O-CB 3.33Å; R37-A41 PolarHBondContact O-N 3.41Å; D38-A41 PolarHBondContact O-N 2.94Å; E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 2.86Å; A41-H45 PolarHBondContact O-N 3.24Å; A41-H45 VanDerWaalsContact O-N 3.14Å; A41-I46 HydrophobicContact CB-CB 4.28Å; A41-I46 PolarHBondContact O-N 3.29Å; A41-L52 HydrophobicContact CB-CD2 3.49Å; A41-L52 VanDerWaalsContact CB-CD2 3.49Å; A41-L55 HydrophobicContact CB-CD2 4Å |
| 42 | V | 89.9 | Confident | 87.3 | Confident | 110 Ų | 110 | 79.5 Ų | 79.5 | 67% | 0.667 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.7 | -47.1 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | D38 E39 L44 H45 | D38-V42 WeakPolarHBondContact O-CG2 3.23Å; D38-V42 PolarHBondContact O-N 3.44Å; E39-V42 PolarHBondContact O-N 3.04Å; V42-L44 VanDerWaalsContact C-N 3.31Å; V42-L44 PolarHBondContact O-N 2.93Å; V42-H45 PolarHBondContact O-N 3.28Å |
| 43 | E | 89.6 | Confident | 87.7 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 27% | 0.271 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.2 | -29.9 | -176.5 | -71 | 166.3 | -160.6 | 0 | 0 | 113.4 | H27 R31 E39 L40 H45 | H27-E43 IonicContact CD2-OE2 3.94Å; H27-E43 IonicContact CE1-OE2 2.88Å; H27-E43 WeakPolarHBondContact NE2-CB 3.4Å; H27-E43 IonicContact NE2-OE2 2.76Å; H27-E43 PolarHBondContact NE2-OE2 2.79Å; R31-E43 IonicContact CZ-OE1 3.09Å; R31-E43 VanDerWaalsContact CZ-OE1 3.25Å; R31-E43 IonicContact CZ-OE2 2.92Å; R31-E43 IonicContact NH1-OE1 3.75Å; R31-E43 PolarHBondContact NH1-OE1 3.29Å; R31-E43 IonicContact NH1-OE2 3.89Å; R31-E43 PolarHBondContact NH1-OE2 2.7Å; R31-E43 IonicContact NH2-OE1 2.78Å; R31-E43 PolarHBondContact NH2-OE1 2.71Å; E39-E43 WeakPolarHBondContact O-CB 3.13Å; E39-E43 WeakPolarHBondContact O-CG 3.37Å; E39-E43 PolarHBondContact O-N 3.22Å; L40-E43 PolarHBondContact O-N 3.49Å; E43-H45 VanDerWaalsContact C-N 3.33Å |
| 44 | L | 89.3 | Confident | 87.9 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 7.7 | 177 | -57.9 | 171.8 | 0 | 0 | 0 | 112.5 | P19 F23 I24 H27 L40 V42 I46 L55 | P19-L44 HydrophobicContact CG-CB 4.03Å; P19-L44 HydrophobicContact CG-CD1 4.32Å; F23-L44 HydrophobicContact CD1-CD2 3.75Å; F23-L44 HydrophobicContact CE1-CD2 3.42Å; F23-L44 VanDerWaalsContact CE1-CD2 3.42Å; F23-L44 HydrophobicContact CZ-CD2 4.47Å; I24-L44 HydrophobicContact CG1-CD1 4.03Å; H27-L44 HydrophobicContact CB-CD2 4.33Å; L40-L44 HydrophobicContact CB-CD1 4.31Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 WeakPolarHBondContact O-CD1 3.18Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 2.87Å; V42-L44 VanDerWaalsContact C-N 3.31Å; V42-L44 PolarHBondContact O-N 2.93Å; L44-I46 HydrophobicContact CB-CD1 3.94Å; L44-I46 HydrophobicContact CB-CG1 4.22Å; L44-I46 HydrophobicContact CD1-CD1 4.4Å; L44-I46 PolarHBondContact O-N 3.49Å; L44-L55 HydrophobicContact CD1-CD1 4.21Å |
| 45 | H | 86.4 | Confident | 88.2 | Confident | 155 Ų | 155 | 64.5 Ų | 64.5 | 72% | 0.718 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 46.7 | 179.4 | -57.4 | -66.9 | 0 | 0 | 0 | 114.1 | A41 V42 E43 | A41-H45 PolarHBondContact O-N 3.24Å; A41-H45 VanDerWaalsContact O-N 3.14Å; V42-H45 PolarHBondContact O-N 3.28Å; E43-H45 VanDerWaalsContact C-N 3.33Å |
| 46 | I | 85.7 | Confident | 88.3 | Confident | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.062 | 35% | 0.347 | C | S | . | . | trans | -100.7 | 110.2 | 178.4 | -65 | 167.8 | 0 | 0 | 0 | 109.1 | P19 A41 L44 Q51 L52 L55 | P19-I46 HydrophobicContact CG-CD1 4.01Å; P19-I46 HydrophobicContact CG-CG1 4.45Å; A41-I46 HydrophobicContact CB-CB 4.28Å; A41-I46 PolarHBondContact O-N 3.29Å; L44-I46 HydrophobicContact CB-CD1 3.94Å; L44-I46 HydrophobicContact CB-CG1 4.22Å; L44-I46 HydrophobicContact CD1-CD1 4.4Å; L44-I46 PolarHBondContact O-N 3.49Å; I46-Q51 HydrophobicContact CG2-CB 3.53Å; I46-L52 HydrophobicContact CG2-CD2 3.94Å; I46-L52 HydrophobicContact CG2-CG 4.05Å; I46-L55 HydrophobicContact CD1-CB 4.07Å; I46-L55 HydrophobicContact CD1-CD1 3.91Å; I46-L55 HydrophobicContact CD1-CD2 3.77Å; I46-L55 HydrophobicContact CD1-CG 4.11Å | ||
| 47 | E | 80.3 | Confident | 88.2 | Confident | 174 Ų | 174 | 76.8 Ų | 76.8 | 81% | 0.813 | 37% | 0.368 | S | S | * | . | trans | -116 | -18.1 | -171.7 | -63.4 | -178.2 | 174.8 | 0 | 0 | 114 | ||||
| 48 | G | 83.4 | Confident | 88.1 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -92.5 | 147 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E50 Q51 L52 | G48-E50 VanDerWaalsContact C-N 3.35Å; G48-E50 PolarHBondContact O-N 2.91Å; G48-Q51 PolarHBondContact O-N 2.9Å; G48-Q51 VanDerWaalsContact O-N 3.13Å; G48-L52 WeakPolarHBondContact O-CG 3.39Å; G48-L52 PolarHBondContact O-N 2.83Å |
| 49 | E | 86.1 | Confident | 88.3 | Confident | 176 Ų | 176 | 69.2 Ų | 69.2 | 82% | 0.822 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.3 | -42.6 | 178.3 | -74.6 | -167.6 | 159.4 | 0 | 0 | 113.2 | Q51 L52 E53 | E49-Q51 PolarHBondContact O-N 3Å; E49-L52 PolarHBondContact O-N 2.96Å; E49-E53 PolarHBondContact O-N 2.88Å |
| 50 | E | 85.1 | Confident | 88.2 | Confident | 139 Ų | 139 | 70.5 Ų | 70.5 | 65% | 0.65 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.6 | -39.4 | 176.6 | -74.6 | -165.3 | 166.6 | 0 | 0 | 112.4 | N16 G48 E53 G54 | N16-E50 PolarHBondContact ND2-OE2 3Å; G48-E50 VanDerWaalsContact C-N 3.35Å; G48-E50 PolarHBondContact O-N 2.91Å; E50-E53 PolarHBondContact O-N 2.87Å; E50-G54 PolarHBondContact O-N 2.98Å |
| 51 | Q | 86 | Confident | 88 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.5 | -36 | 177.4 | -65.7 | -178.5 | -41.1 | 0 | 0 | 111.4 | N16 I18 I46 G48 E49 G54 L55 | N16-Q51 HydrophobicContact CB-CG 4.47Å; I18-Q51 HydrophobicContact CG2-CB 4.01Å; I18-Q51 HydrophobicContact CG2-CG 4.36Å; I18-Q51 WeakPolarHBondContact CG2-O 3.44Å; I46-Q51 HydrophobicContact CG2-CB 3.53Å; G48-Q51 PolarHBondContact O-N 2.9Å; G48-Q51 VanDerWaalsContact O-N 3.13Å; E49-Q51 PolarHBondContact O-N 3Å; Q51-G54 PolarHBondContact O-N 3.44Å; Q51-L55 WeakPolarHBondContact O-CB 3.37Å; Q51-L55 PolarHBondContact O-N 3.49Å |
| 52 | L | 87.4 | Confident | 88 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 28% | 0.277 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 174 | -75.6 | 169.8 | 0 | 0 | 0 | 111.7 | A41 I46 G48 E49 L55 R56 | A41-L52 HydrophobicContact CB-CD2 3.49Å; A41-L52 VanDerWaalsContact CB-CD2 3.49Å; I46-L52 HydrophobicContact CG2-CD2 3.94Å; I46-L52 HydrophobicContact CG2-CG 4.05Å; G48-L52 WeakPolarHBondContact O-CG 3.39Å; G48-L52 PolarHBondContact O-N 2.83Å; E49-L52 PolarHBondContact O-N 2.96Å; L52-L55 PolarHBondContact O-N 3.16Å; L52-R56 WeakPolarHBondContact O-CB 3.2Å; L52-R56 PolarHBondContact O-N 3Å |
| 53 | E | 88.1 | Confident | 87.9 | Confident | 57 Ų | 57 | 67 Ų | 67 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 174.4 | -178.4 | 55.4 | -154.3 | 0 | 0 | 111.3 | E49 E50 R56 R57 | E49-E53 PolarHBondContact O-N 2.88Å; E50-E53 PolarHBondContact O-N 2.87Å; E53-R56 WeakPolarHBondContact O-CB 3.49Å; E53-R56 PolarHBondContact O-N 2.89Å; E53-R56 IonicContact OE1-NH1 3.51Å; E53-R56 VanDerWaalsContact OE2-CD 3.26Å; E53-R56 WeakPolarHBondContact OE2-CD 3.33Å; E53-R56 IonicContact OE2-CZ 3.95Å; E53-R56 IonicContact OE2-NH1 2.74Å; E53-R56 PolarHBondContact OE2-NH1 2.94Å; E53-R57 WeakPolarHBondContact O-CG 3.17Å; E53-R57 PolarHBondContact O-N 2.81Å; E53-R57 IonicContact OE1-CZ 3.2Å; E53-R57 IonicContact OE1-NE 2.73Å; E53-R57 PolarHBondContact OE1-NE 2.8Å; E53-R57 IonicContact OE1-NH2 3.76Å |
| 54 | G | 88.8 | Confident | 87.6 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.8 | -51.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I18 E50 Q51 R56 R57 R58 | I18-G54 VanDerWaalsContact CD1-C 3.42Å; I18-G54 VanDerWaalsContact CD1-O 3.29Å; I18-G54 WeakPolarHBondContact CD1-O 3.36Å; E50-G54 PolarHBondContact O-N 2.98Å; Q51-G54 PolarHBondContact O-N 3.44Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 2.84Å; G54-R57 PolarHBondContact O-N 3.41Å; G54-R57 VanDerWaalsContact O-N 3.15Å; G54-R58 PolarHBondContact O-N 2.77Å |
| 55 | L | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 178.9 | 179.7 | 67.6 | 0 | 0 | 0 | 110.5 | I24 R37 L40 A41 L44 I46 Q51 L52 R57 R58 L59 | I24-L55 HydrophobicContact CD1-CD1 4.01Å; R37-L55 HydrophobicContact CG-CD2 4.26Å; L40-L55 HydrophobicContact CB-CD2 4.49Å; A41-L55 HydrophobicContact CB-CD2 4Å; L44-L55 HydrophobicContact CD1-CD1 4.21Å; I46-L55 HydrophobicContact CD1-CB 4.07Å; I46-L55 HydrophobicContact CD1-CD1 3.91Å; I46-L55 HydrophobicContact CD1-CD2 3.77Å; I46-L55 HydrophobicContact CD1-CG 4.11Å; Q51-L55 WeakPolarHBondContact O-CB 3.37Å; Q51-L55 PolarHBondContact O-N 3.49Å; L52-L55 PolarHBondContact O-N 3.16Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 2.91Å; L55-R58 PolarHBondContact O-N 3.28Å; L55-L59 HydrophobicContact CD1-CD1 4.09Å; L55-L59 HydrophobicContact CD1-CG 4.06Å; L55-L59 HydrophobicContact CD2-CD1 4.3Å; L55-L59 HydrophobicContact CG-CD1 3.81Å; L55-L59 HydrophobicContact CG-CG 4.19Å; L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 VanDerWaalsContact O-CG 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.88Å |
| 56 | R | 91.2 | Very high | 86.8 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 44% | 0.438 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 175.5 | -178.8 | -164.9 | 172.4 | -170.1 | -0.8 | 111.2 | L52 E53 G54 R60 | L52-R56 WeakPolarHBondContact O-CB 3.2Å; L52-R56 PolarHBondContact O-N 3Å; E53-R56 WeakPolarHBondContact O-CB 3.49Å; E53-R56 PolarHBondContact O-N 2.89Å; E53-R56 IonicContact OE1-NH1 3.51Å; E53-R56 VanDerWaalsContact OE2-CD 3.26Å; E53-R56 WeakPolarHBondContact OE2-CD 3.33Å; E53-R56 IonicContact OE2-CZ 3.95Å; E53-R56 IonicContact OE2-NH1 2.74Å; E53-R56 PolarHBondContact OE2-NH1 2.94Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 2.84Å; R56-R60 WeakPolarHBondContact O-CB 3.45Å; R56-R60 WeakPolarHBondContact O-CG 3.41Å; R56-R60 PolarHBondContact O-N 2.66Å |
| 57 | R | 89.7 | Confident | 86.8 | Confident | 170 Ų | 170 | 68.2 Ų | 68.2 | 64% | 0.642 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64 | -42 | 178.3 | -70 | 173 | -173.1 | -175.6 | 1.4 | 111.8 | E53 G54 L55 R60 A61 | E53-R57 WeakPolarHBondContact O-CG 3.17Å; E53-R57 PolarHBondContact O-N 2.81Å; E53-R57 IonicContact OE1-CZ 3.2Å; E53-R57 IonicContact OE1-NE 2.73Å; E53-R57 PolarHBondContact OE1-NE 2.8Å; E53-R57 IonicContact OE1-NH2 3.76Å; G54-R57 PolarHBondContact O-N 3.41Å; G54-R57 VanDerWaalsContact O-N 3.15Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 2.91Å; R57-R60 PolarHBondContact O-N 3.2Å; R57-A61 WeakPolarHBondContact O-CB 3.43Å; R57-A61 PolarHBondContact O-N 3.11Å |
| 58 | R | 90.7 | Very high | 87.1 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -49 | 176.7 | -177.4 | 157.1 | -64.3 | 173.5 | 1.7 | 112.1 | E10 I18 P19 R21 I24 G54 L55 R60 A61 M62 | E10-R58 IonicContact OE2-CZ 2.67Å; E10-R58 VanDerWaalsContact OE2-CZ 3.31Å; E10-R58 IonicContact OE2-NH1 2.7Å; E10-R58 PolarHBondContact OE2-NH1 2.75Å; E10-R58 IonicContact OE2-NH2 3.44Å; E10-R58 PolarHBondContact OE2-NH2 3.41Å; I18-R58 HydrophobicContact CD1-CB 3.62Å; I18-R58 HydrophobicContact CD1-CG 4.3Å; I18-R58 VanDerWaalsContact CD1-NE 3.33Å; I18-R58 PolarHBondContact O-NH1 2.68Å; P19-R58 VanDerWaalsContact O-CD 3.22Å; P19-R58 WeakPolarHBondContact O-CD 3.35Å; P19-R58 PolarHBondContact O-NH1 3.34Å; R21-R58 HydrophobicContact CG-CG 4.29Å; I24-R58 HydrophobicContact CD1-CG 3.89Å; G54-R58 PolarHBondContact O-N 2.77Å; L55-R58 PolarHBondContact O-N 3.28Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.2Å; R58-A61 PolarHBondContact O-N 2.71Å; R58-A61 VanDerWaalsContact O-N 3.13Å; R58-M62 HydrophobicContact CG-CG 4.35Å; R58-M62 HydrophobicContact CG-SD 3.85Å; R58-M62 WeakPolarHBondContact O-CB 3.26Å; R58-M62 VanDerWaalsContact O-CG 3.26Å; R58-M62 WeakPolarHBondContact O-CG 3.35Å; R58-M62 PolarHBondContact O-N 3.13Å |
| 59 | L | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 176.8 | -68.7 | 174.4 | 0 | 0 | 0 | 111.6 | I24 R37 L40 L55 M62 E63 L68 Y76 | I24-L59 HydrophobicContact CG2-CD2 3.9Å; R37-L59 HydrophobicContact CG-CD1 4.14Å; L40-L59 HydrophobicContact CD1-CD1 4.03Å; L40-L59 HydrophobicContact CD1-CD2 3.99Å; L55-L59 HydrophobicContact CD1-CD1 4.09Å; L55-L59 HydrophobicContact CD1-CG 4.06Å; L55-L59 HydrophobicContact CD2-CD1 4.3Å; L55-L59 HydrophobicContact CG-CD1 3.81Å; L55-L59 HydrophobicContact CG-CG 4.19Å; L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 VanDerWaalsContact O-CG 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.88Å; L59-M62 PolarHBondContact O-N 3.43Å; L59-E63 VanDerWaalsContact O-CB 3.24Å; L59-E63 WeakPolarHBondContact O-CB 3.29Å; L59-E63 PolarHBondContact O-N 2.99Å; L59-L68 HydrophobicContact CD2-CD1 3.61Å; L59-Y76 HydrophobicContact CB-CD1 4.38Å; L59-Y76 HydrophobicContact CB-CE1 3.81Å; L59-Y76 HydrophobicContact CB-CE2 4.21Å; L59-Y76 HydrophobicContact CD1-CD2 3.98Å; L59-Y76 HydrophobicContact CD1-CE2 3.69Å; L59-Y76 HydrophobicContact CD2-CG 4.49Å; L59-Y76 HydrophobicContact CG-CE2 4.47Å |
| 60 | R | 89.3 | Confident | 87.2 | Confident | 109 Ų | 109 | 53.5 Ų | 53.5 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 174.1 | -72.4 | -69.2 | -177.9 | -171.1 | 4.7 | 112.9 | R56 R57 R58 E63 R64 | R56-R60 WeakPolarHBondContact O-CB 3.45Å; R56-R60 WeakPolarHBondContact O-CG 3.41Å; R56-R60 PolarHBondContact O-N 2.66Å; R57-R60 PolarHBondContact O-N 3.2Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.2Å; R60-E63 WeakPolarHBondContact CD-OE2 3.24Å; R60-E63 IonicContact CZ-OE2 3.79Å; R60-E63 IonicContact NE-OE2 3.67Å; R60-E63 IonicContact NH1-OE1 3.44Å; R60-E63 IonicContact NH1-OE2 3.29Å; R60-E63 PolarHBondContact NH1-OE2 3.24Å; R60-E63 PolarHBondContact O-N 2.88Å; R60-R64 WeakPolarHBondContact O-CB 3.33Å; R60-R64 PolarHBondContact O-N 3.29Å |
| 61 | A | 87.2 | Confident | 87.1 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.3 | -45.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R57 R58 E63 R64 D65 | R57-A61 WeakPolarHBondContact O-CB 3.43Å; R57-A61 PolarHBondContact O-N 3.11Å; R58-A61 PolarHBondContact O-N 2.71Å; R58-A61 VanDerWaalsContact O-N 3.13Å; A61-E63 VanDerWaalsContact C-N 3.31Å; A61-E63 PolarHBondContact O-N 3.05Å; A61-R64 WeakPolarHBondContact O-CB 3.27Å; A61-R64 PolarHBondContact O-N 3.35Å; A61-D65 WeakPolarHBondContact O-CB 3.42Å; A61-D65 PolarHBondContact O-N 3.5Å |
| 62 | M | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 175 | -67.3 | 172.1 | 76.1 | 0 | 0 | 112.1 | R21 I24 L25 R58 L59 D65 G66 Q67 L68 | R21-M62 HydrophobicContact CB-CE 4.15Å; R21-M62 HydrophobicContact CB-CG 4.43Å; R21-M62 HydrophobicContact CB-SD 4.18Å; R21-M62 HydrophobicContact CG-CG 3.89Å; R21-M62 HydrophobicContact CG-SD 4.01Å; R21-M62 WeakPolarHBondContact O-CE 3.33Å; I24-M62 HydrophobicContact CB-CE 3.99Å; I24-M62 HydrophobicContact CB-SD 4.23Å; I24-M62 HydrophobicContact CD1-SD 4.01Å; I24-M62 HydrophobicContact CG2-CE 3.82Å; I24-M62 HydrophobicContact CG2-SD 4.06Å; L25-M62 HydrophobicContact CD1-CE 4.3Å; L25-M62 HydrophobicContact CD2-CE 3.84Å; L25-M62 HydrophobicContact CG-CE 3.62Å; R58-M62 HydrophobicContact CG-CG 4.35Å; R58-M62 HydrophobicContact CG-SD 3.85Å; R58-M62 WeakPolarHBondContact O-CB 3.26Å; R58-M62 VanDerWaalsContact O-CG 3.26Å; R58-M62 WeakPolarHBondContact O-CG 3.35Å; R58-M62 PolarHBondContact O-N 3.13Å; L59-M62 PolarHBondContact O-N 3.43Å; M62-D65 PolarHBondContact O-N 2.94Å; M62-G66 PolarHBondContact O-N 3.2Å; M62-Q67 HydrophobicContact CB-CB 4.24Å; M62-Q67 WeakPolarHBondContact O-CB 3.3Å; M62-Q67 PolarHBondContact O-N 3.4Å; M62-L68 HydrophobicContact CB-CD1 3.78Å; M62-L68 HydrophobicContact CB-CG 3.96Å; M62-L68 HydrophobicContact CE-CD1 3.85Å; M62-L68 HydrophobicContact CE-CG 4.08Å; M62-L68 PolarHBondContact O-N 2.83Å; M62-L68 HydrophobicContact SD-CD1 4.04Å |
| 63 | E | 87.3 | Confident | 86.6 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 174.1 | -168.3 | -153.8 | 151 | 0 | 0 | 111.9 | L59 R60 A61 D65 G66 L68 F70 R143 | L59-E63 VanDerWaalsContact O-CB 3.24Å; L59-E63 WeakPolarHBondContact O-CB 3.29Å; L59-E63 PolarHBondContact O-N 2.99Å; R60-E63 WeakPolarHBondContact CD-OE2 3.24Å; R60-E63 IonicContact CZ-OE2 3.79Å; R60-E63 IonicContact NE-OE2 3.67Å; R60-E63 IonicContact NH1-OE1 3.44Å; R60-E63 IonicContact NH1-OE2 3.29Å; R60-E63 PolarHBondContact NH1-OE2 3.24Å; R60-E63 PolarHBondContact O-N 2.88Å; A61-E63 VanDerWaalsContact C-N 3.31Å; A61-E63 PolarHBondContact O-N 3.05Å; E63-D65 VanDerWaalsContact C-N 3.33Å; E63-G66 PolarHBondContact O-N 2.81Å; E63-L68 WeakPolarHBondContact CA-O 3.46Å; E63-F70 HydrophobicContact CG-CB 4.17Å; E63-R143 IonicContact OE1-CZ 3.45Å; E63-R143 IonicContact OE1-NH1 3.21Å; E63-R143 PolarHBondContact OE1-NH1 3.3Å; E63-R143 IonicContact OE1-NH2 2.79Å |
| 64 | R | 83.4 | Confident | 86.5 | Confident | 145 Ų | 145 | 68.8 Ų | 68.8 | 55% | 0.547 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 175.4 | -178.9 | -165.2 | 65.4 | -168.3 | -1.8 | 111.4 | R60 A61 G66 | R60-R64 WeakPolarHBondContact O-CB 3.33Å; R60-R64 PolarHBondContact O-N 3.29Å; A61-R64 WeakPolarHBondContact O-CB 3.27Å; A61-R64 PolarHBondContact O-N 3.35Å; R64-G66 PolarHBondContact O-N 3.44Å |
| 65 | D | 80.6 | Confident | 86.6 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.4 | -177.4 | -57.1 | -10 | 0 | 0 | 0 | 112.1 | R21 A61 M62 E63 Q67 | R21-D65 IonicContact CZ-OD2 3.66Å; R21-D65 VanDerWaalsContact CZ-OD2 3.24Å; R21-D65 IonicContact NH1-OD2 3.8Å; R21-D65 PolarHBondContact NH1-OD2 2.89Å; R21-D65 IonicContact NH2-OD2 3.83Å; R21-D65 PolarHBondContact NH2-OD2 3.04Å; A61-D65 WeakPolarHBondContact O-CB 3.42Å; A61-D65 PolarHBondContact O-N 3.5Å; M62-D65 PolarHBondContact O-N 2.94Å; E63-D65 VanDerWaalsContact C-N 3.33Å; D65-Q67 VanDerWaalsContact C-N 3.31Å; D65-Q67 HydrophobicContact CB-CG 4.35Å; D65-Q67 PolarHBondContact O-N 3.48Å |
| 66 | G | 79 | Confident | 86.5 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 9% | 0.093 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 7.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | M62 E63 R64 L68 P79 | M62-G66 PolarHBondContact O-N 3.2Å; E63-G66 PolarHBondContact O-N 2.81Å; R64-G66 PolarHBondContact O-N 3.44Å; G66-L68 VanDerWaalsContact C-N 3.33Å; G66-P79 VanDerWaalsContact O-CG 3.23Å; G66-P79 WeakPolarHBondContact O-CG 3.03Å |
| 67 | Q | 84.3 | Confident | 86.3 | Confident | 61 Ų | 61 | 63.9 Ų | 63.9 | 29% | 0.285 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -75.3 | -25.6 | 178.5 | -56.4 | -178.3 | -73.5 | 0 | 0 | 112 | L25 M62 D65 P79 | L25-Q67 HydrophobicContact CD2-CB 4.23Å; M62-Q67 HydrophobicContact CB-CB 4.24Å; M62-Q67 WeakPolarHBondContact O-CB 3.3Å; M62-Q67 PolarHBondContact O-N 3.4Å; D65-Q67 VanDerWaalsContact C-N 3.31Å; D65-Q67 HydrophobicContact CB-CG 4.35Å; D65-Q67 PolarHBondContact O-N 3.48Å; Q67-P79 VanDerWaalsContact O-CD 3.23Å; Q67-P79 WeakPolarHBondContact O-CD 3.31Å |
| 68 | L | 87.9 | Confident | 86 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | trans | -133.5 | 155.5 | 178.6 | -62.2 | 179.9 | 0 | 0 | 0 | 111.1 | I24 L25 L28 L59 M62 E63 G66 Y76 L78 | I24-L68 HydrophobicContact CG2-CD1 4.4Å; L25-L68 HydrophobicContact CD2-CD2 3.96Å; L28-L68 HydrophobicContact CD1-CD1 4.16Å; L28-L68 HydrophobicContact CD1-CD2 3.32Å; L28-L68 HydrophobicContact CD1-CG 4.41Å; L59-L68 HydrophobicContact CD2-CD1 3.61Å; M62-L68 HydrophobicContact CB-CD1 3.78Å; M62-L68 HydrophobicContact CB-CG 3.96Å; M62-L68 HydrophobicContact CE-CD1 3.85Å; M62-L68 HydrophobicContact CE-CG 4.08Å; M62-L68 PolarHBondContact O-N 2.83Å; M62-L68 HydrophobicContact SD-CD1 4.04Å; E63-L68 WeakPolarHBondContact CA-O 3.46Å; G66-L68 VanDerWaalsContact C-N 3.33Å; L68-Y76 HydrophobicContact CB-CD1 4.33Å; L68-Y76 HydrophobicContact CD1-CD1 4.21Å; L68-L78 HydrophobicContact CD2-CD2 4.08Å | ||
| 69 | V | 83.6 | Confident | 85.3 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.5 | 171.8 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | T71 Y76 A77 P79 L82 L84 L125 | V69-T71 PolarHBondContact O-N 3.3Å; V69-Y76 WeakPolarHBondContact O-CA 3.39Å; V69-A77 PolarHBondContact N-O 2.99Å; V69-A77 PolarHBondContact O-N 3.01Å; V69-P79 HydrophobicContact CG2-CB 4.25Å; V69-P79 HydrophobicContact CG2-CG 4.09Å; V69-L82 HydrophobicContact CB-CD1 3.83Å; V69-L82 HydrophobicContact CG1-CD1 3.8Å; V69-L82 HydrophobicContact CG2-CD1 4.23Å; V69-L84 HydrophobicContact CG2-CD1 3.76Å; V69-L125 HydrophobicContact CG2-CD2 3.71Å |
| 70 | F | 87.3 | Confident | 84.5 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 20% | 0.197 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 109.3 | 170.2 | -165.8 | -115.8 | 0 | 0 | 0 | 110.1 | E63 Q74 Y76 | E63-F70 HydrophobicContact CG-CB 4.17Å; F70-Q74 VanDerWaalsContact CE1-OE1 3.27Å; F70-Q74 HydrophobicContact CE2-CB 4.42Å; F70-Q74 WeakPolarHBondContact CE2-O 3.25Å; F70-Q74 HydrophobicContact CZ-CB 3.82Å; F70-Q74 HydrophobicContact CZ-CG 4.33Å; F70-Y76 HydrophobicContact CB-CD1 4.41Å; F70-Y76 HydrophobicContact CB-CE1 4.16Å; F70-Y76 AromaticContact CD2-CD1 3.86Å; F70-Y76 HydrophobicContact CD2-CD1 3.86Å; F70-Y76 AromaticContact CD2-CD2 3.94Å; F70-Y76 HydrophobicContact CD2-CD2 3.94Å; F70-Y76 AromaticContact CD2-CE1 3.54Å; F70-Y76 HydrophobicContact CD2-CE1 3.54Å; F70-Y76 AromaticContact CD2-CE2 3.61Å; F70-Y76 HydrophobicContact CD2-CE2 3.61Å; F70-Y76 HydrophobicContact CD2-CG 4.06Å; F70-Y76 AromaticContact CD2-CZ 3.4Å; F70-Y76 VanDerWaalsContact CD2-CZ 3.4Å; F70-Y76 HydrophobicContact CE2-CD2 4.1Å; F70-Y76 HydrophobicContact CE2-CE1 4.3Å; F70-Y76 AromaticContact CE2-CE2 3.57Å; F70-Y76 HydrophobicContact CE2-CE2 3.57Å; F70-Y76 AromaticContact CE2-CZ 3.69Å; F70-Y76 HydrophobicContact CG-CE1 4.21Å |
| 71 | T | 83.8 | Confident | 83.8 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 17% | 0.172 | 27% | 0.268 | C | S | . | . | trans | -77.3 | 162.5 | -175.7 | 67 | 0 | 0 | 0 | 0 | 111.8 | V69 R73 Q74 C75 A77 L82 | V69-T71 PolarHBondContact O-N 3.3Å; T71-R73 PolarHBondContact O-N 3.08Å; T71-Q74 PolarHBondContact O-N 3.47Å; T71-C75 WeakPolarHBondContact CB-O 3.09Å; T71-C75 WeakPolarHBondContact CG2-O 3.18Å; T71-C75 PolarHBondContact N-O 3.21Å; T71-C75 PolarHBondContact OG1-N 3.33Å; T71-C75 PolarHBondContact OG1-O 3.14Å; T71-A77 HydrophobicContact CG2-CB 4.4Å; T71-L82 HydrophobicContact CG2-CD1 4.21Å | ||
| 72 | R | 79.3 | Confident | 83.2 | Confident | 251 Ų | 251 | 62.3 Ų | 62.3 | 95% | 0.947 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.8 | 174.6 | -67.7 | -176.5 | 179.6 | 173.6 | -0.4 | 113.8 | Q74 | R72-Q74 PolarHBondContact O-N 3.17Š|
| 73 | R | 82.8 | Confident | 82.8 | Confident | 223 Ų | 223 | 68 Ų | 68 | 84% | 0.842 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 17.7 | 176.8 | -63.4 | -176 | -179.5 | 179.7 | 0.7 | 113.1 | T71 C75 | T71-R73 PolarHBondContact O-N 3.08Å; R73-C75 PolarHBondContact O-N 2.92Å; R73-C75 PolarHBondContact O-SG 3.2Å |
| 74 | Q | 86.3 | Confident | 82.7 | Confident | 125 Ų | 125 | 67.6 Ų | 67.6 | 58% | 0.584 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 58 | 31.1 | -178.4 | -55.2 | -71 | -51.6 | 0 | 0 | 113.6 | F70 T71 R72 | F70-Q74 VanDerWaalsContact CE1-OE1 3.27Å; F70-Q74 HydrophobicContact CE2-CB 4.42Å; F70-Q74 WeakPolarHBondContact CE2-O 3.25Å; F70-Q74 HydrophobicContact CZ-CB 3.82Å; F70-Q74 HydrophobicContact CZ-CG 4.33Å; T71-Q74 PolarHBondContact O-N 3.47Å; R72-Q74 PolarHBondContact O-N 3.17Å |
| 75 | C | 90.2 | Very high | 83 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 14% | 0.142 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.6 | -179.8 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | P34 A35 T71 R73 | P34-C75 HydrophobicContact CB-CB 3.52Å; A35-C75 CarbonylContact O-C 3.56Å; A35-C75 VanDerWaalsContact O-CA 3.26Å; A35-C75 WeakPolarHBondContact O-CA 3.26Å; T71-C75 WeakPolarHBondContact CB-O 3.09Å; T71-C75 WeakPolarHBondContact CG2-O 3.18Å; T71-C75 PolarHBondContact N-O 3.21Å; T71-C75 PolarHBondContact OG1-N 3.33Å; T71-C75 PolarHBondContact OG1-O 3.14Å; R73-C75 PolarHBondContact O-N 2.92Å; R73-C75 PolarHBondContact O-SG 3.2Å |
| 76 | Y | 89.3 | Confident | 83.4 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 138.4 | 172.8 | -65.2 | -86.8 | 0 | 0 | 0 | 110.8 | P34 A35 R37 L40 L59 L68 V69 F70 | P34-Y76 CarbonylContact C-O 3.58Å; P34-Y76 VanDerWaalsContact CA-O 3.29Å; P34-Y76 WeakPolarHBondContact CA-O 3.42Å; A35-Y76 PolarHBondContact N-O 3.05Å; A35-Y76 PolarHBondContact O-N 2.84Å; R37-Y76 HydrophobicContact CB-CE2 4.29Å; L40-Y76 HydrophobicContact CD1-CD2 4.31Å; L59-Y76 HydrophobicContact CB-CD1 4.38Å; L59-Y76 HydrophobicContact CB-CE1 3.81Å; L59-Y76 HydrophobicContact CB-CE2 4.21Å; L59-Y76 HydrophobicContact CD1-CD2 3.98Å; L59-Y76 HydrophobicContact CD1-CE2 3.69Å; L59-Y76 HydrophobicContact CD2-CG 4.49Å; L59-Y76 HydrophobicContact CG-CE2 4.47Å; L68-Y76 HydrophobicContact CB-CD1 4.33Å; L68-Y76 HydrophobicContact CD1-CD1 4.21Å; V69-Y76 WeakPolarHBondContact O-CA 3.39Å; F70-Y76 HydrophobicContact CB-CD1 4.41Å; F70-Y76 HydrophobicContact CB-CE1 4.16Å; F70-Y76 AromaticContact CD2-CD1 3.86Å; F70-Y76 HydrophobicContact CD2-CD1 3.86Å; F70-Y76 AromaticContact CD2-CD2 3.94Å; F70-Y76 HydrophobicContact CD2-CD2 3.94Å; F70-Y76 AromaticContact CD2-CE1 3.54Å; F70-Y76 HydrophobicContact CD2-CE1 3.54Å; F70-Y76 AromaticContact CD2-CE2 3.61Å; F70-Y76 HydrophobicContact CD2-CE2 3.61Å; F70-Y76 HydrophobicContact CD2-CG 4.06Å; F70-Y76 AromaticContact CD2-CZ 3.4Å; F70-Y76 VanDerWaalsContact CD2-CZ 3.4Å; F70-Y76 HydrophobicContact CE2-CD2 4.1Å; F70-Y76 HydrophobicContact CE2-CE1 4.3Å; F70-Y76 AromaticContact CE2-CE2 3.57Å; F70-Y76 HydrophobicContact CE2-CE2 3.57Å; F70-Y76 AromaticContact CE2-CZ 3.69Å; F70-Y76 HydrophobicContact CG-CE1 4.21Å |
| 77 | A | 86.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.033 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P34 V69 T71 L82 | P34-A77 HydrophobicContact CB-CB 4.05Å; P34-A77 HydrophobicContact CG-CB 4.01Å; V69-A77 PolarHBondContact N-O 2.99Å; V69-A77 PolarHBondContact O-N 3.01Å; T71-A77 HydrophobicContact CG2-CB 4.4Å; A77-L82 HydrophobicContact CB-CD1 4.11Å; A77-L82 HydrophobicContact CB-CG 4.33Å |
| 78 | L | 84 | Confident | 84.5 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | trans | -70.2 | 137 | 169.3 | -68 | 171.9 | 0 | 0 | 0 | 110.1 | L25 L28 T29 L68 E80 R81 | L25-L78 HydrophobicContact CD2-CD2 3.47Å; L25-L78 VanDerWaalsContact CD2-CD2 3.47Å; L28-L78 HydrophobicContact CB-CD1 4.37Å; L28-L78 HydrophobicContact CB-CD2 4.39Å; L28-L78 HydrophobicContact CB-CG 4.09Å; T29-L78 VanDerWaalsContact OG1-CD1 3.3Å; T29-L78 WeakPolarHBondContact OG1-CD1 3.06Å; L68-L78 HydrophobicContact CD2-CD2 4.08Å; L78-E80 PolarHBondContact O-N 3.35Å; L78-R81 HydrophobicContact CB-CG 4.25Å; L78-R81 PolarHBondContact O-N 2.72Å | ||
| 79 | P | 77.5 | Confident | 84.9 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -52.8 | -40.8 | 177.6 | -22.9 | 29.4 | 0 | 0 | 0 | 113.4 | G66 Q67 V69 R81 L82 D83 L84 L125 | G66-P79 VanDerWaalsContact O-CG 3.23Å; G66-P79 WeakPolarHBondContact O-CG 3.03Å; Q67-P79 VanDerWaalsContact O-CD 3.23Å; Q67-P79 WeakPolarHBondContact O-CD 3.31Å; V69-P79 HydrophobicContact CG2-CB 4.25Å; V69-P79 HydrophobicContact CG2-CG 4.09Å; P79-R81 PolarHBondContact O-N 3.16Å; P79-L82 CarbonylContact O-C 3.47Å; P79-L82 WeakPolarHBondContact O-CA 3.46Å; P79-L82 PolarHBondContact O-N 3.23Å; P79-D83 PolarHBondContact O-N 3.18Å; P79-L84 HydrophobicContact CB-CB 3.95Å; P79-L84 WeakPolarHBondContact O-CB 3.2Å; P79-L84 PolarHBondContact O-N 3.17Å; P79-L125 HydrophobicContact CB-CD1 3.99Å; P79-L125 HydrophobicContact CB-CD2 4.42Å; P79-L125 HydrophobicContact CG-CD1 4.49Å |
| 80 | E | 74.3 | Confident | 85.5 | Confident | 131 Ų | 131 | 63.9 Ų | 63.9 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -61.9 | -31.5 | -176.4 | -60.2 | 73.7 | -159.1 | 0 | 0 | 111.7 | L78 L82 D83 | L78-E80 PolarHBondContact O-N 3.35Å; E80-L82 VanDerWaalsContact C-N 3.25Å; E80-L82 PolarHBondContact O-N 3.47Å; E80-D83 PolarHBondContact O-N 3.13Å |
| 81 | R | 74.7 | Confident | 85.9 | Confident | 93 Ų | 93 | 62 Ų | 62 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -76.8 | -14.1 | 177.8 | -66.1 | -172.2 | 174.8 | -163.5 | -10.2 | 114.2 | L28 T29 R31 L78 P79 D83 | L28-R81 VanDerWaalsContact O-CZ 3.23Å; L28-R81 PolarHBondContact O-NH1 3.31Å; L28-R81 VanDerWaalsContact O-NH1 3.16Å; L28-R81 PolarHBondContact O-NH2 2.96Å; T29-R81 PolarHBondContact O-NH2 2.96Å; R31-R81 PolarHBondContact O-NH1 3.09Å; R31-R81 PolarHBondContact O-NH2 3.15Å; L78-R81 HydrophobicContact CB-CG 4.25Å; L78-R81 PolarHBondContact O-N 2.72Å; P79-R81 PolarHBondContact O-N 3.16Å; R81-D83 VanDerWaalsContact C-N 3.35Å |
| 82 | L | 74.4 | Confident | 86.5 | Confident | 54 Ų | 54 | 63 Ų | 63 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -102 | 14.9 | 173.5 | -61.3 | 177.3 | 0 | 0 | 0 | 110.8 | V69 T71 A77 P79 E80 L84 Q127 | V69-L82 HydrophobicContact CB-CD1 3.83Å; V69-L82 HydrophobicContact CG1-CD1 3.8Å; V69-L82 HydrophobicContact CG2-CD1 4.23Å; T71-L82 HydrophobicContact CG2-CD1 4.21Å; A77-L82 HydrophobicContact CB-CD1 4.11Å; A77-L82 HydrophobicContact CB-CG 4.33Å; P79-L82 CarbonylContact O-C 3.47Å; P79-L82 WeakPolarHBondContact O-CA 3.46Å; P79-L82 PolarHBondContact O-N 3.23Å; E80-L82 VanDerWaalsContact C-N 3.25Å; E80-L82 PolarHBondContact O-N 3.47Å; L82-L84 HydrophobicContact CB-CD1 3.99Å; L82-L84 HydrophobicContact CB-CG 3.84Å; L82-L84 HydrophobicContact CD1-CD1 4.38Å; L82-L84 PolarHBondContact O-N 3.49Å; L82-Q127 PolarHBondContact O-NE2 2.97Å; L82-Q127 VanDerWaalsContact O-NE2 3.08Å |
| 83 | D | 81.5 | Confident | 87.2 | Confident | 118 Ų | 118 | 59.3 Ų | 59.3 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 38.1 | -172.4 | -63.2 | -50.6 | 0 | 0 | 0 | 112.1 | P79 E80 R81 P128 | P79-D83 PolarHBondContact O-N 3.18Å; E80-D83 PolarHBondContact O-N 3.13Å; R81-D83 VanDerWaalsContact C-N 3.35Å; D83-P128 WeakPolarHBondContact O-CD 3.48Å |
| 84 | L | 86.2 | Confident | 87.7 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | trans | -98.1 | 143.7 | 178.8 | -55.8 | -179.9 | 0 | 0 | 0 | 111.2 | V69 P79 L82 L125 A126 Q127 V142 | V69-L84 HydrophobicContact CG2-CD1 3.76Å; P79-L84 HydrophobicContact CB-CB 3.95Å; P79-L84 WeakPolarHBondContact O-CB 3.2Å; P79-L84 PolarHBondContact O-N 3.17Å; L82-L84 HydrophobicContact CB-CD1 3.99Å; L82-L84 HydrophobicContact CB-CG 3.84Å; L82-L84 HydrophobicContact CD1-CD1 4.38Å; L82-L84 PolarHBondContact O-N 3.49Å; L84-L125 HydrophobicContact CB-CD1 3.92Å; L84-L125 HydrophobicContact CB-CD2 4.21Å; L84-L125 HydrophobicContact CB-CG 3.93Å; L84-L125 HydrophobicContact CD1-CD2 3.57Å; L84-L125 HydrophobicContact CD1-CG 4.07Å; L84-A126 CarbonylContact C-O 3.58Å; L84-A126 VanDerWaalsContact CA-O 3.28Å; L84-A126 WeakPolarHBondContact CA-O 3.47Å; L84-Q127 HydrophobicContact CD2-CB 3.5Å; L84-Q127 HydrophobicContact CD2-CG 3.89Å; L84-V142 HydrophobicContact CD1-CG1 4.48Å; L84-V142 HydrophobicContact CD2-CG2 3.67Å | ||
| 85 | V | 88.9 | Confident | 88 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.3 | 178.4 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | L99 V101 L108 A126 P128 | V85-L99 HydrophobicContact CG2-CD2 4.2Å; V85-V101 HydrophobicContact CB-CG1 4.12Å; V85-V101 HydrophobicContact CB-CG2 4.01Å; V85-V101 HydrophobicContact CG2-CG2 3.78Å; V85-L108 HydrophobicContact CG2-CD1 3.82Å; V85-A126 HydrophobicContact CG2-CB 4.47Å; V85-A126 WeakPolarHBondContact CG2-O 3.43Å; V85-A126 PolarHBondContact N-O 3.22Å; V85-A126 PolarHBondContact O-N 2.85Å; V85-P128 HydrophobicContact CG1-CG 4.05Å; V85-P128 HydrophobicContact CG2-CG 3.98Å |
| 86 | K | 90.3 | Very high | 88.3 | Confident | 108 Ų | 108 | 50.1 Ų | 50.1 | 47% | 0.47 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.8 | 171.3 | -178.5 | 176.1 | 177.2 | -176.3 | 0 | 109.2 | V101 V124 L125 L145 | K86-V101 WeakPolarHBondContact O-CG1 3.36Å; K86-V124 WeakPolarHBondContact CA-O 3.27Å; K86-L125 HydrophobicContact CB-CD1 4.42Å; K86-L145 HydrophobicContact CD-CD1 3.85Å; K86-L145 HydrophobicContact CG-CD1 3.79Å |
| 87 | G | 92.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 178.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L99 R100 Q123 V124 | G87-L99 VanDerWaalsContact C-CD1 3.43Å; G87-R100 CarbonylContact C-O 3.52Å; G87-R100 WeakPolarHBondContact CA-O 3.37Å; G87-Q123 WeakPolarHBondContact O-CA 3.39Å; G87-V124 PolarHBondContact N-O 3.39Å; G87-V124 PolarHBondContact O-N 2.89Å |
| 88 | T | 94.5 | Very high | 89 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 27% | 0.27 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.1 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | I90 R100 D122 | T88-I90 HydrophobicContact CG2-CD1 4.5Å; T88-R100 PolarHBondContact N-O 3.18Å; T88-R100 PolarHBondContact O-N 2.86Å; T88-D122 CarbonylContact C-O 3.48Å; T88-D122 WeakPolarHBondContact CA-O 3.37Å |
| 89 | V | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.1 | 178.1 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | F98 L99 L110 M115 C118 G121 D122 V124 | V89-F98 CarbonylContact C-O 3.59Å; V89-F98 WeakPolarHBondContact CA-O 3.24Å; V89-L99 HydrophobicContact CG2-CD1 4.46Å; V89-L110 HydrophobicContact CB-CD1 4.49Å; V89-L110 HydrophobicContact CG1-CD1 3.99Å; V89-L110 HydrophobicContact CG2-CD1 4.09Å; V89-M115 HydrophobicContact CG1-CE 3.81Å; V89-M115 HydrophobicContact CG1-SD 3.82Å; V89-C118 HydrophobicContact CG1-CB 4.18Å; V89-C118 HydrophobicContact CG2-CB 4.35Å; V89-G121 PolarHBondContact O-N 3.42Å; V89-D122 HydrophobicContact CB-CB 4.22Å; V89-D122 HydrophobicContact CG2-CB 4.02Å; V89-D122 PolarHBondContact N-O 2.99Å; V89-V124 HydrophobicContact CG2-CB 4.48Å; V89-V124 HydrophobicContact CG2-CG1 3.76Å; V89-V124 HydrophobicContact CG2-CG2 3.82Å |
| 90 | I | 95.2 | Very high | 90.2 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 101 | 172.1 | -51.8 | -59.7 | 0 | 0 | 0 | 108.1 | T88 G97 F98 R100 | T88-I90 HydrophobicContact CG2-CD1 4.5Å; I90-G97 CarbonylContact O-C 3.47Å; I90-G97 WeakPolarHBondContact O-CA 3.41Å; I90-F98 HydrophobicContact CB-CB 4.38Å; I90-F98 PolarHBondContact N-O 2.91Å; I90-F98 PolarHBondContact O-N 3.42Å; I90-R100 HydrophobicContact CG1-CB 4.35Å |
| 91 | G | 95.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 160.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H120 R171 | G91-H120 PolarHBondContact N-ND1 3.45Å; G91-H120 VanDerWaalsContact N-ND1 3.18Å; G91-R171 WeakPolarHBondContact O-CB 3.14Å; G91-R171 WeakPolarHBondContact O-CG 3.44Å |
| 92 | H | 96 | Very high | 90.8 | Very high | 50 Ų | 50 | 56 Ų | 56 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | trans | -131.2 | 147.1 | 174.3 | -169.8 | -91.1 | 0 | 0 | 0 | 110 | D94 G95 Y96 | H92-D94 IonicContact CE1-OD2 3.33Å; H92-D94 PolarHBondContact CE1-OD2 3.22Å; H92-D94 PolarHBondContact ND1-N 3.45Å; H92-D94 IonicContact ND1-OD2 2.79Å; H92-D94 PolarHBondContact ND1-OD2 3.37Å; H92-D94 PolarHBondContact O-N 3.43Å; H92-D94 VanDerWaalsContact O-N 3.11Å; H92-G95 PolarHBondContact O-N 2.86Å; H92-Y96 HydrophobicContact CB-CD2 3.94Å; H92-Y96 HydrophobicContact CB-CE1 4.39Å; H92-Y96 HydrophobicContact CB-CE2 3.77Å; H92-Y96 HydrophobicContact CB-CG 4.32Å; H92-Y96 VanDerWaalsContact CB-O 3.24Å; H92-Y96 WeakPolarHBondContact CB-O 3.39Å; H92-Y96 AromaticContact CD2-CZ 3.89Å; H92-Y96 AromaticContact CE1-CE1 3.94Å; H92-Y96 AromaticContact CE1-CZ 3.68Å; H92-Y96 PolarHBondContact CE1-OH 3.49Å; H92-Y96 AromaticContact CG-CE1 3.92Å; H92-Y96 AromaticContact CG-CE2 3.68Å; H92-Y96 AromaticContact CG-CZ 3.45Å; H92-Y96 VanDerWaalsContact CG-CZ 3.45Å; H92-Y96 PolarHBondContact N-O 2.84Å; H92-Y96 AromaticContact ND1-CE1 3.37Å; H92-Y96 WeakPolarHBondContact ND1-CE1 3.41Å; H92-Y96 AromaticContact ND1-CE2 3.99Å; H92-Y96 AromaticContact ND1-CZ 3.29Å; H92-Y96 VanDerWaalsContact ND1-CZ 3.29Å; H92-Y96 PolarHBondContact ND1-OH 2.69Å; H92-Y96 PolarHBondContact NE2-OH 2.8Å | ||
| 93 | R | 93.7 | Very high | 90.5 | Very high | 174 Ų | 174 | 57.8 Ų | 57.8 | 66% | 0.657 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.6 | -177.7 | 71.1 | -178.6 | 82.7 | -172.1 | 3.1 | 114.5 | G95 S170 | R93-G95 PolarHBondContact O-N 3.05Å; R93-S170 VanDerWaalsContact CA-O 3.28Å; R93-S170 WeakPolarHBondContact CA-O 3.38Å |
| 94 | D | 93.7 | Very high | 90.2 | Very high | 107 Ų | 107 | 58 Ų | 58 | 57% | 0.572 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 8.9 | 178.3 | -55.4 | -26.6 | 0 | 0 | 0 | 113.6 | H92 Y96 | H92-D94 IonicContact CE1-OD2 3.33Å; H92-D94 PolarHBondContact CE1-OD2 3.22Å; H92-D94 PolarHBondContact ND1-N 3.45Å; H92-D94 IonicContact ND1-OD2 2.79Å; H92-D94 PolarHBondContact ND1-OD2 3.37Å; H92-D94 PolarHBondContact O-N 3.43Å; H92-D94 VanDerWaalsContact O-N 3.11Å; D94-Y96 VanDerWaalsContact C-N 3.35Å; D94-Y96 HydrophobicContact CB-CD1 3.79Å; D94-Y96 HydrophobicContact CB-CE1 3.59Å; D94-Y96 PolarHBondContact O-N 3.44Å |
| 95 | G | 93.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 64 Ų | 64 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 83.3 | -3.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116 | H92 R93 S112 M115 | H92-G95 PolarHBondContact O-N 2.86Å; R93-G95 PolarHBondContact O-N 3.05Å; G95-S112 VanDerWaalsContact O-CA 3.24Å; G95-S112 WeakPolarHBondContact O-CA 3.36Å; G95-S112 WeakPolarHBondContact O-CB 3.32Å; G95-M115 VanDerWaalsContact O-CB 3.25Å; G95-M115 WeakPolarHBondContact O-CB 3.43Å |
| 96 | Y | 94.8 | Very high | 88.8 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | trans | -89.7 | 179 | 164.8 | 67 | -94.1 | 0 | 0 | 0 | 110.7 | H92 D94 F98 Y109 | H92-Y96 HydrophobicContact CB-CD2 3.94Å; H92-Y96 HydrophobicContact CB-CE1 4.39Å; H92-Y96 HydrophobicContact CB-CE2 3.77Å; H92-Y96 HydrophobicContact CB-CG 4.32Å; H92-Y96 VanDerWaalsContact CB-O 3.24Å; H92-Y96 WeakPolarHBondContact CB-O 3.39Å; H92-Y96 AromaticContact CD2-CZ 3.89Å; H92-Y96 AromaticContact CE1-CE1 3.94Å; H92-Y96 AromaticContact CE1-CZ 3.68Å; H92-Y96 PolarHBondContact CE1-OH 3.49Å; H92-Y96 AromaticContact CG-CE1 3.92Å; H92-Y96 AromaticContact CG-CE2 3.68Å; H92-Y96 AromaticContact CG-CZ 3.45Å; H92-Y96 VanDerWaalsContact CG-CZ 3.45Å; H92-Y96 PolarHBondContact N-O 2.84Å; H92-Y96 AromaticContact ND1-CE1 3.37Å; H92-Y96 WeakPolarHBondContact ND1-CE1 3.41Å; H92-Y96 AromaticContact ND1-CE2 3.99Å; H92-Y96 AromaticContact ND1-CZ 3.29Å; H92-Y96 VanDerWaalsContact ND1-CZ 3.29Å; H92-Y96 PolarHBondContact ND1-OH 2.69Å; H92-Y96 PolarHBondContact NE2-OH 2.8Å; D94-Y96 VanDerWaalsContact C-N 3.35Å; D94-Y96 HydrophobicContact CB-CD1 3.79Å; D94-Y96 HydrophobicContact CB-CE1 3.59Å; D94-Y96 PolarHBondContact O-N 3.44Å; Y96-F98 HydrophobicContact CD2-CE2 4.21Å; Y96-F98 HydrophobicContact CD2-CZ 4.3Å; Y96-F98 AromaticContact CE2-CE2 3.67Å; Y96-F98 HydrophobicContact CE2-CE2 3.67Å; Y96-F98 AromaticContact CE2-CZ 3.72Å; Y96-F98 HydrophobicContact CE2-CZ 3.72Å; Y96-Y109 WeakPolarHBondContact CB-OH 3.37Å; Y96-Y109 HydrophobicContact CD2-CD2 4.37Å; Y96-Y109 AromaticContact CD2-CE2 3.59Å; Y96-Y109 HydrophobicContact CD2-CE2 3.59Å; Y96-Y109 HydrophobicContact CE2-CE2 4.33Å; Y96-Y109 AromaticContact CG-CE2 3.91Å; Y96-Y109 HydrophobicContact CG-CE2 3.91Å | ||
| 97 | G | 95.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | -170.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I90 L110 | I90-G97 CarbonylContact O-C 3.47Å; I90-G97 WeakPolarHBondContact O-CA 3.41Å; G97-L110 PolarHBondContact N-O 2.92Å; G97-L110 PolarHBondContact O-N 3.42Å |
| 98 | F | 95.3 | Very high | 88.7 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 155.6 | 177.8 | -58.4 | -83.5 | 0 | 0 | 0 | 110.4 | V89 I90 Y96 D107 L108 Y109 | V89-F98 CarbonylContact C-O 3.59Å; V89-F98 WeakPolarHBondContact CA-O 3.24Å; I90-F98 HydrophobicContact CB-CB 4.38Å; I90-F98 PolarHBondContact N-O 2.91Å; I90-F98 PolarHBondContact O-N 3.42Å; Y96-F98 HydrophobicContact CD2-CE2 4.21Å; Y96-F98 HydrophobicContact CD2-CZ 4.3Å; Y96-F98 AromaticContact CE2-CE2 3.67Å; Y96-F98 HydrophobicContact CE2-CE2 3.67Å; Y96-F98 AromaticContact CE2-CZ 3.72Å; Y96-F98 HydrophobicContact CE2-CZ 3.72Å; F98-D107 HydrophobicContact CB-CB 3.92Å; F98-D107 HydrophobicContact CD1-CB 4.36Å; F98-D107 HydrophobicContact CG-CB 4.45Å; F98-L108 CarbonylContact C-O 3.51Å; F98-L108 VanDerWaalsContact CA-O 3.22Å; F98-L108 WeakPolarHBondContact CA-O 3.44Å; F98-Y109 HydrophobicContact CD1-CD2 4.45Å; F98-Y109 HydrophobicContact CE1-CD2 4.08Å |
| 99 | L | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 110.8 | 171.7 | 179.3 | 68.7 | 0 | 0 | 0 | 108.5 | V85 G87 V89 V101 D107 L108 L110 V124 A126 A139 | V85-L99 HydrophobicContact CG2-CD2 4.2Å; G87-L99 VanDerWaalsContact C-CD1 3.43Å; V89-L99 HydrophobicContact CG2-CD1 4.46Å; L99-V101 HydrophobicContact CD2-CG2 4.2Å; L99-V101 HydrophobicContact CG-CG2 4.14Å; L99-V101 PolarHBondContact O-N 2.78Å; L99-D107 WeakPolarHBondContact O-CA 3.38Å; L99-L108 HydrophobicContact CB-CB 4.23Å; L99-L108 HydrophobicContact CD2-CD1 4.37Å; L99-L108 PolarHBondContact N-O 3.24Å; L99-L108 PolarHBondContact O-N 3.29Å; L99-L110 HydrophobicContact CB-CD1 4.23Å; L99-L110 HydrophobicContact CB-CD2 4.37Å; L99-L110 HydrophobicContact CB-CG 4.28Å; L99-V124 HydrophobicContact CD1-CG2 3.26Å; L99-V124 HydrophobicContact CD2-CG2 4.43Å; L99-V124 HydrophobicContact CG-CG2 4.48Å; L99-A126 HydrophobicContact CD2-CB 3.3Å; L99-A139 HydrophobicContact CD2-CB 4.34Å |
| 100 | R | 92.2 | Very high | 88.6 | Confident | 135 Ų | 135 | 65.6 Ų | 65.6 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 112.7 | 174.5 | -175.1 | 157 | -66.3 | 167.1 | 4.8 | 109.7 | G87 T88 I90 D107 | G87-R100 CarbonylContact C-O 3.52Å; G87-R100 WeakPolarHBondContact CA-O 3.37Å; T88-R100 PolarHBondContact N-O 3.18Å; T88-R100 PolarHBondContact O-N 2.86Å; I90-R100 HydrophobicContact CG1-CB 4.35Å; R100-D107 WeakPolarHBondContact CA-OD1 3.49Å; R100-D107 WeakPolarHBondContact CB-OD1 3.39Å; R100-D107 WeakPolarHBondContact CG-OD1 3.41Å; R100-D107 IonicContact CZ-OD1 2.78Å; R100-D107 IonicContact CZ-OD2 3.79Å; R100-D107 IonicContact NE-OD1 3.71Å; R100-D107 PolarHBondContact NE-OD1 3.3Å; R100-D107 IonicContact NE-OD2 3.99Å; R100-D107 PolarHBondContact NE-OD2 3.36Å; R100-D107 IonicContact NH2-OD1 3.39Å; R100-D107 IonicContact NH2-OD2 3.39Å; R100-D107 PolarHBondContact NH2-OD2 2.87Å |
| 101 | V | 88.9 | Confident | 88.6 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.9 | 179.6 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | V85 K86 L99 G103 R104 L108 | V85-V101 HydrophobicContact CB-CG1 4.12Å; V85-V101 HydrophobicContact CB-CG2 4.01Å; V85-V101 HydrophobicContact CG2-CG2 3.78Å; K86-V101 WeakPolarHBondContact O-CG1 3.36Å; L99-V101 HydrophobicContact CD2-CG2 4.2Å; L99-V101 HydrophobicContact CG-CG2 4.14Å; L99-V101 PolarHBondContact O-N 2.78Å; V101-G103 PolarHBondContact O-N 3.37Å; V101-R104 HydrophobicContact CB-CB 4.16Å; V101-R104 HydrophobicContact CB-CG 4.34Å; V101-R104 HydrophobicContact CG1-CB 4.36Å; V101-R104 HydrophobicContact CG1-CG 4.05Å; V101-R104 PolarHBondContact O-N 3.04Å; V101-L108 HydrophobicContact CG2-CD1 4.21Å |
| 102 | E | 72.3 | Confident | 88.4 | Confident | 167 Ų | 167 | 67.7 Ų | 67.7 | 78% | 0.78 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 135.4 | 177 | -72.3 | -176.6 | 168 | 0 | 0 | 110.9 | R104 | E102-R104 PolarHBondContact O-N 2.91Š|
| 103 | G | 69.6 | Low | 88.3 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 95% | 0.948 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | -6.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V101 | V101-G103 PolarHBondContact O-N 3.37Š|
| 104 | R | 73.9 | Confident | 88.3 | Confident | 121 Ų | 121 | 61.7 Ų | 61.7 | 46% | 0.457 | 32% | 0.321 | S | S | . | . | trans | -104.7 | 136.8 | 170.1 | -67.2 | -170.4 | 178.3 | -176.9 | 1.5 | 110.6 | V101 E102 | V101-R104 HydrophobicContact CB-CB 4.16Å; V101-R104 HydrophobicContact CB-CG 4.34Å; V101-R104 HydrophobicContact CG1-CB 4.36Å; V101-R104 HydrophobicContact CG1-CG 4.05Å; V101-R104 PolarHBondContact O-N 3.04Å; E102-R104 PolarHBondContact O-N 2.91Å | ||
| 105 | K | 68 | Low | 88.3 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -78.1 | -37.9 | 177.3 | -170.5 | -179.7 | 179.8 | -179 | 0 | 111.9 | E492 | K105-E492 IonicContact NZ-OE2 3.5Š|
| 106 | D | 77.4 | Confident | 88.3 | Confident | 129 Ų | 129 | 61 Ų | 61 | 69% | 0.69 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -88.7 | 118.8 | -178.2 | -58.1 | -33.5 | 0 | 0 | 0 | 110.2 | ||
| 107 | D | 89.2 | Confident | 88 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -69 | 143.1 | 171.5 | -62.3 | -30.5 | 0 | 0 | 0 | 109.9 | F98 L99 R100 | F98-D107 HydrophobicContact CB-CB 3.92Å; F98-D107 HydrophobicContact CD1-CB 4.36Å; F98-D107 HydrophobicContact CG-CB 4.45Å; L99-D107 WeakPolarHBondContact O-CA 3.38Å; R100-D107 WeakPolarHBondContact CA-OD1 3.49Å; R100-D107 WeakPolarHBondContact CB-OD1 3.39Å; R100-D107 WeakPolarHBondContact CG-OD1 3.41Å; R100-D107 IonicContact CZ-OD1 2.78Å; R100-D107 IonicContact CZ-OD2 3.79Å; R100-D107 IonicContact NE-OD1 3.71Å; R100-D107 PolarHBondContact NE-OD1 3.3Å; R100-D107 IonicContact NE-OD2 3.99Å; R100-D107 PolarHBondContact NE-OD2 3.36Å; R100-D107 IonicContact NH2-OD1 3.39Å; R100-D107 IonicContact NH2-OD2 3.39Å; R100-D107 PolarHBondContact NH2-OD2 2.87Å |
| 108 | L | 92.2 | Very high | 87.9 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 137.8 | 175.4 | -61.3 | 168.4 | 0 | 0 | 0 | 110.1 | V85 F98 L99 V101 P128 R137 A139 | V85-L108 HydrophobicContact CG2-CD1 3.82Å; F98-L108 CarbonylContact C-O 3.51Å; F98-L108 VanDerWaalsContact CA-O 3.22Å; F98-L108 WeakPolarHBondContact CA-O 3.44Å; L99-L108 HydrophobicContact CB-CB 4.23Å; L99-L108 HydrophobicContact CD2-CD1 4.37Å; L99-L108 PolarHBondContact N-O 3.24Å; L99-L108 PolarHBondContact O-N 3.29Å; V101-L108 HydrophobicContact CG2-CD1 4.21Å; L108-P128 HydrophobicContact CD1-CB 4.19Å; L108-P128 HydrophobicContact CD1-CG 3.94Å; L108-P128 HydrophobicContact CD2-CB 4.49Å; L108-R137 HydrophobicContact CD2-CB 3.72Å; L108-A139 HydrophobicContact CB-CB 3.76Å; L108-A139 HydrophobicContact CD1-CB 4Å; L108-A139 HydrophobicContact CG-CB 4.47Å |
| 109 | Y | 94.3 | Very high | 87.9 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 10% | 0.102 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 132.8 | -179.7 | -179.5 | -106.3 | 0 | 0 | 0 | 111.8 | Y96 F98 R137 E138 A139 | Y96-Y109 WeakPolarHBondContact CB-OH 3.37Å; Y96-Y109 HydrophobicContact CD2-CD2 4.37Å; Y96-Y109 AromaticContact CD2-CE2 3.59Å; Y96-Y109 HydrophobicContact CD2-CE2 3.59Å; Y96-Y109 HydrophobicContact CE2-CE2 4.33Å; Y96-Y109 AromaticContact CG-CE2 3.91Å; Y96-Y109 HydrophobicContact CG-CE2 3.91Å; F98-Y109 HydrophobicContact CD1-CD2 4.45Å; F98-Y109 HydrophobicContact CE1-CD2 4.08Å; Y109-R137 PolarHBondContact N-O 2.97Å; Y109-E138 HydrophobicContact CD1-CG 4.07Å; Y109-E138 CarbonylContact O-C 3.46Å; Y109-E138 VanDerWaalsContact O-CA 3.3Å; Y109-E138 WeakPolarHBondContact O-CA 3.4Å; Y109-A139 PolarHBondContact O-N 3.44Å |
| 110 | L | 94.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.1 | 171 | -61 | 175.8 | 0 | 0 | 0 | 108.8 | V89 G97 L99 Q114 M115 A139 I141 | V89-L110 HydrophobicContact CB-CD1 4.49Å; V89-L110 HydrophobicContact CG1-CD1 3.99Å; V89-L110 HydrophobicContact CG2-CD1 4.09Å; G97-L110 PolarHBondContact N-O 2.92Å; G97-L110 PolarHBondContact O-N 3.42Å; L99-L110 HydrophobicContact CB-CD1 4.23Å; L99-L110 HydrophobicContact CB-CD2 4.37Å; L99-L110 HydrophobicContact CB-CG 4.28Å; L110-Q114 HydrophobicContact CB-CB 4.4Å; L110-M115 HydrophobicContact CB-CG 4.24Å; L110-M115 HydrophobicContact CB-SD 4Å; L110-M115 HydrophobicContact CD1-SD 3.89Å; L110-A139 HydrophobicContact CD2-CB 3.97Å; L110-I141 HydrophobicContact CD1-CD1 4.31Å; L110-I141 HydrophobicContact CD2-CD1 3.84Å; L110-I141 HydrophobicContact CD2-CG1 4.17Å |
| 111 | S | 93.3 | Very high | 87.9 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | trans | -65.4 | 159.7 | 177.2 | 69.3 | 0 | 0 | 0 | 0 | 111.6 | E113 Q114 M115 | S111-E113 PolarHBondContact O-N 3.47Å; S111-E113 VanDerWaalsContact O-N 3.1Å; S111-Q114 WeakPolarHBondContact O-CB 3.44Å; S111-Q114 PolarHBondContact O-N 2.75Å; S111-M115 PolarHBondContact O-N 2.92Å; S111-M115 VanDerWaalsContact O-N 3.08Å | ||
| 112 | S | 93.5 | Very high | 88.1 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.1 | -28.3 | 178.5 | -46.9 | 0 | 0 | 0 | 0 | 113.1 | G95 M115 K116 | G95-S112 VanDerWaalsContact O-CA 3.24Å; G95-S112 WeakPolarHBondContact O-CA 3.36Å; G95-S112 WeakPolarHBondContact O-CB 3.32Å; S112-M115 PolarHBondContact O-N 3.47Å; S112-K116 PolarHBondContact O-N 2.87Å |
| 113 | E | 93 | Very high | 89.2 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71 | -33.4 | 175.1 | -173.5 | 62.9 | -163.6 | 0 | 0 | 112.8 | S111 K116 R202 | S111-E113 PolarHBondContact O-N 3.47Å; S111-E113 VanDerWaalsContact O-N 3.1Å; E113-K116 WeakPolarHBondContact OE2-CD 3.29Å; E113-K116 VanDerWaalsContact OE2-CE 3.32Å; E113-K116 WeakPolarHBondContact OE2-CE 3.43Å; E113-K116 IonicContact OE2-NZ 3.06Å; E113-K116 PolarHBondContact OE2-NZ 3Å; E113-R202 VanDerWaalsContact OE1-CD 3.27Å; E113-R202 WeakPolarHBondContact OE1-CD 3.41Å; E113-R202 IonicContact OE1-CZ 2.93Å; E113-R202 IonicContact OE1-NE 3.77Å; E113-R202 PolarHBondContact OE1-NE 3.22Å; E113-R202 VanDerWaalsContact OE1-NE 3.16Å; E113-R202 IonicContact OE1-NH1 2.64Å; E113-R202 PolarHBondContact OE1-NH1 2.99Å; E113-R202 IonicContact OE1-NH2 3.24Å |
| 114 | Q | 92.7 | Very high | 90.4 | Very high | 33 Ų | 33 | 45 Ų | 45 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.8 | -42.2 | 172 | -66.1 | -64.5 | -61.6 | 0 | 0 | 110.6 | L110 S111 K116 T117 C118 | L110-Q114 HydrophobicContact CB-CB 4.4Å; S111-Q114 WeakPolarHBondContact O-CB 3.44Å; S111-Q114 PolarHBondContact O-N 2.75Å; Q114-K116 VanDerWaalsContact C-N 3.25Å; Q114-K116 PolarHBondContact O-N 2.73Å; Q114-T117 PolarHBondContact O-N 2.8Å; Q114-T117 PolarHBondContact O-OG1 3.16Å; Q114-C118 PolarHBondContact O-SG 2.82Å; Q114-C118 VanDerWaalsContact O-SG 3.32Å |
| 115 | M | 94.7 | Very high | 91.2 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.069 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -21.7 | -179 | -69.6 | -56.4 | -60.8 | 0 | 0 | 114 | V89 G95 L110 S111 S112 T117 C118 | V89-M115 HydrophobicContact CG1-CE 3.81Å; V89-M115 HydrophobicContact CG1-SD 3.82Å; G95-M115 VanDerWaalsContact O-CB 3.25Å; G95-M115 WeakPolarHBondContact O-CB 3.43Å; L110-M115 HydrophobicContact CB-CG 4.24Å; L110-M115 HydrophobicContact CB-SD 4Å; L110-M115 HydrophobicContact CD1-SD 3.89Å; S111-M115 PolarHBondContact O-N 2.92Å; S111-M115 VanDerWaalsContact O-N 3.08Å; S112-M115 PolarHBondContact O-N 3.47Å; M115-T117 PolarHBondContact O-N 2.89Å; M115-C118 PolarHBondContact O-N 3.1Å; M115-C118 VanDerWaalsContact O-N 3.12Å; M115-C118 HydrophobicContact SD-CB 4.21Å |
| 116 | K | 92.8 | Very high | 92.4 | Very high | 98 Ų | 98 | 32.9 Ų | 32.9 | 43% | 0.426 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -17.1 | 172.6 | -76.4 | 178.2 | -175.5 | 171.8 | 0 | 115.2 | S112 E113 Q114 P200 T201 R202 | S112-K116 PolarHBondContact O-N 2.87Å; E113-K116 WeakPolarHBondContact OE2-CD 3.29Å; E113-K116 VanDerWaalsContact OE2-CE 3.32Å; E113-K116 WeakPolarHBondContact OE2-CE 3.43Å; E113-K116 IonicContact OE2-NZ 3.06Å; E113-K116 PolarHBondContact OE2-NZ 3Å; Q114-K116 VanDerWaalsContact C-N 3.25Å; Q114-K116 PolarHBondContact O-N 2.73Å; K116-P200 CarbonylContact O-C 3.45Å; K116-T201 CarbonylContact O-C 3.6Å; K116-R202 HydrophobicContact CB-CG 4.19Å; K116-R202 HydrophobicContact CD-CB 4.49Å; K116-R202 HydrophobicContact CD-CG 4.28Å |
| 117 | T | 89.9 | Confident | 93 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 36% | 0.356 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | -4.4 | 179.6 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | Q114 M115 R199 R202 | Q114-T117 PolarHBondContact O-N 2.8Å; Q114-T117 PolarHBondContact O-OG1 3.16Å; M115-T117 PolarHBondContact O-N 2.89Å; T117-R199 PolarHBondContact O-NH2 3.48Å; T117-R202 HydrophobicContact CG2-CG 4.22Å |
| 118 | C | 92.9 | Very high | 93 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | trans | -112.1 | 151.7 | -178.4 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | V89 Q114 M115 D122 | V89-C118 HydrophobicContact CG1-CB 4.18Å; V89-C118 HydrophobicContact CG2-CB 4.35Å; Q114-C118 PolarHBondContact O-SG 2.82Å; Q114-C118 VanDerWaalsContact O-SG 3.32Å; M115-C118 PolarHBondContact O-N 3.1Å; M115-C118 VanDerWaalsContact O-N 3.12Å; M115-C118 HydrophobicContact SD-CB 4.21Å; C118-D122 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 119 | I | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -122.7 | 144.9 | 178 | -59.4 | -179.8 | 0 | 0 | 0 | 107.1 | G121 D122 K148 L172 F174 L196 R199 P200 | I119-G121 PolarHBondContact O-N 3.28Å; I119-D122 PolarHBondContact N-OD2 3.11Å; I119-D122 WeakPolarHBondContact O-CB 3.49Å; I119-D122 VanDerWaalsContact O-CG 3.3Å; I119-D122 PolarHBondContact O-N 2.99Å; I119-D122 VanDerWaalsContact O-N 3.08Å; I119-K148 HydrophobicContact CG2-CB 4.42Å; I119-L172 HydrophobicContact CG2-CD2 3.28Å; I119-F174 HydrophobicContact CB-CE1 4.46Å; I119-F174 HydrophobicContact CB-CZ 4.49Å; I119-F174 HydrophobicContact CD1-CZ 3.96Å; I119-F174 HydrophobicContact CG1-CE1 3.99Å; I119-F174 HydrophobicContact CG1-CZ 3.91Å; I119-F174 HydrophobicContact CG2-CE1 4.08Å; I119-F174 HydrophobicContact CG2-CZ 3.88Å; I119-L196 HydrophobicContact CD1-CD1 3.6Å; I119-R199 HydrophobicContact CD1-CB 4.4Å; I119-R199 HydrophobicContact CD1-CG 4.1Å; I119-P200 HydrophobicContact CD1-CG 4.28Å; I119-P200 HydrophobicContact CG1-CG 4.15Å | ||
| 120 | H | 95.1 | Very high | 92 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 11% | 0.111 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 128.7 | 171.4 | 175.3 | 82.1 | 0 | 0 | 0 | 109.9 | G91 K148 D169 R171 L172 | G91-H120 PolarHBondContact N-ND1 3.45Å; G91-H120 VanDerWaalsContact N-ND1 3.18Å; H120-K148 WeakPolarHBondContact O-CG 3.42Å; H120-D169 IonicContact CD2-OD2 3.92Å; H120-R171 HydrophobicContact CB-CB 4.16Å; H120-L172 HydrophobicContact CB-CD2 3.92Å; H120-L172 HydrophobicContact CB-CG 4.47Å |
| 121 | G | 92.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | -5.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V89 I119 Q123 | V89-G121 PolarHBondContact O-N 3.42Å; I119-G121 PolarHBondContact O-N 3.28Å; G121-Q123 PolarHBondContact O-N 2.84Å |
| 122 | D | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -62.1 | 134.4 | 173.2 | -72.2 | -29.9 | 0 | 0 | 0 | 111.1 | T88 V89 C118 I119 V124 V144 P147 K148 R199 | T88-D122 CarbonylContact C-O 3.48Å; T88-D122 WeakPolarHBondContact CA-O 3.37Å; V89-D122 HydrophobicContact CB-CB 4.22Å; V89-D122 HydrophobicContact CG2-CB 4.02Å; V89-D122 PolarHBondContact N-O 2.99Å; C118-D122 WeakPolarHBondContact CA-OD2 3.5Å; I119-D122 PolarHBondContact N-OD2 3.11Å; I119-D122 WeakPolarHBondContact O-CB 3.49Å; I119-D122 VanDerWaalsContact O-CG 3.3Å; I119-D122 PolarHBondContact O-N 2.99Å; I119-D122 VanDerWaalsContact O-N 3.08Å; D122-V124 HydrophobicContact CB-CG1 3.82Å; D122-V144 HydrophobicContact CB-CG1 4.4Å; D122-P147 WeakPolarHBondContact OD1-CA 3.48Å; D122-K148 PolarHBondContact OD1-N 2.71Å; D122-R199 VanDerWaalsContact CG-NH2 3.35Å; D122-R199 IonicContact OD1-CZ 2.93Å; D122-R199 IonicContact OD1-NH1 3.53Å; D122-R199 PolarHBondContact OD1-NH1 2.96Å; D122-R199 IonicContact OD1-NH2 3.79Å; D122-R199 PolarHBondContact OD1-NH2 3.44Å; D122-R199 IonicContact OD2-CZ 3.21Å; D122-R199 IonicContact OD2-NH1 2.94Å; D122-R199 IonicContact OD2-NH2 3.69Å; D122-R199 PolarHBondContact OD2-NH2 2.88Å | ||
| 123 | Q | 94 | Very high | 89 | Confident | 73 Ų | 73 | 46.1 Ų | 46.1 | 34% | 0.341 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126.6 | 164 | -59.2 | -172.6 | -20.4 | 0 | 0 | 109.4 | G87 G121 L145 V146 | G87-Q123 WeakPolarHBondContact O-CA 3.39Å; G121-Q123 PolarHBondContact O-N 2.84Å; Q123-L145 WeakPolarHBondContact O-CA 3.27Å; Q123-L145 WeakPolarHBondContact O-CB 3.47Å; Q123-L145 PolarHBondContact O-N 2.81Å; Q123-V146 HydrophobicContact CB-CB 3.97Å; Q123-V146 HydrophobicContact CB-CG2 4.36Å; Q123-V146 HydrophobicContact CG-CB 4.27Å; Q123-V146 PolarHBondContact N-O 3.45Å; Q123-V146 PolarHBondContact O-N 3.37Å |
| 124 | V | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.2 | -168.2 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | K86 G87 V89 L99 D122 I141 R143 V144 | K86-V124 WeakPolarHBondContact CA-O 3.27Å; G87-V124 PolarHBondContact N-O 3.39Å; G87-V124 PolarHBondContact O-N 2.89Å; V89-V124 HydrophobicContact CG2-CB 4.48Å; V89-V124 HydrophobicContact CG2-CG1 3.76Å; V89-V124 HydrophobicContact CG2-CG2 3.82Å; L99-V124 HydrophobicContact CD1-CG2 3.26Å; L99-V124 HydrophobicContact CD2-CG2 4.43Å; L99-V124 HydrophobicContact CG-CG2 4.48Å; D122-V124 HydrophobicContact CB-CG1 3.82Å; V124-I141 HydrophobicContact CB-CD1 4.08Å; V124-I141 HydrophobicContact CB-CG2 4.28Å; V124-I141 HydrophobicContact CG1-CD1 4.39Å; V124-I141 HydrophobicContact CG1-CG2 4.33Å; V124-I141 HydrophobicContact CG2-CD1 3.59Å; V124-R143 CarbonylContact C-O 3.49Å; V124-R143 WeakPolarHBondContact CA-O 3.32Å; V124-V144 HydrophobicContact CG1-CB 4.49Å; V124-V144 HydrophobicContact CG1-CG1 4.47Å; V124-V144 HydrophobicContact CG1-CG2 4.17Å |
| 125 | L | 92.2 | Very high | 87.2 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.3 | 163 | -167.6 | 70.5 | 0 | 0 | 0 | 108.1 | V69 P79 L84 K86 V142 R143 L145 | V69-L125 HydrophobicContact CG2-CD2 3.71Å; P79-L125 HydrophobicContact CB-CD1 3.99Å; P79-L125 HydrophobicContact CB-CD2 4.42Å; P79-L125 HydrophobicContact CG-CD1 4.49Å; L84-L125 HydrophobicContact CB-CD1 3.92Å; L84-L125 HydrophobicContact CB-CD2 4.21Å; L84-L125 HydrophobicContact CB-CG 3.93Å; L84-L125 HydrophobicContact CD1-CD2 3.57Å; L84-L125 HydrophobicContact CD1-CG 4.07Å; K86-L125 HydrophobicContact CB-CD1 4.42Å; L125-V142 WeakPolarHBondContact O-CA 3.49Å; L125-V142 WeakPolarHBondContact O-CB 2.93Å; L125-V142 PolarHBondContact O-N 2.81Å; L125-R143 HydrophobicContact CB-CB 4.48Å; L125-R143 PolarHBondContact N-O 3.29Å; L125-R143 PolarHBondContact O-N 3.23Å; L125-R143 VanDerWaalsContact O-N 3.13Å; L125-L145 HydrophobicContact CB-CD1 4.35Å; L125-L145 HydrophobicContact CB-CD2 4.3Å; L125-L145 HydrophobicContact CB-CG 4.33Å |
| 126 | A | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 155.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L84 V85 L99 A139 R140 I141 | L84-A126 CarbonylContact C-O 3.58Å; L84-A126 VanDerWaalsContact CA-O 3.28Å; L84-A126 WeakPolarHBondContact CA-O 3.47Å; V85-A126 HydrophobicContact CG2-CB 4.47Å; V85-A126 WeakPolarHBondContact CG2-O 3.43Å; V85-A126 PolarHBondContact N-O 3.22Å; V85-A126 PolarHBondContact O-N 2.85Å; L99-A126 HydrophobicContact CD2-CB 3.3Å; A126-A139 HydrophobicContact CB-CB 4.23Å; A126-R140 CarbonylContact C-O 3.59Å; A126-R140 VanDerWaalsContact CA-O 3.25Å; A126-R140 WeakPolarHBondContact CA-O 3.31Å; A126-R140 WeakPolarHBondContact CB-O 2.92Å; A126-I141 HydrophobicContact CB-CD1 4.04Å |
| 127 | Q | 90.3 | Very high | 86.2 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 23% | 0.229 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.2 | 171.9 | -166 | 168.1 | 41.5 | 0 | 0 | 109 | L82 L84 A139 R140 V142 | L82-Q127 PolarHBondContact O-NE2 2.97Å; L82-Q127 VanDerWaalsContact O-NE2 3.08Å; L84-Q127 HydrophobicContact CD2-CB 3.5Å; L84-Q127 HydrophobicContact CD2-CG 3.89Å; Q127-A139 WeakPolarHBondContact O-CA 3.15Å; Q127-R140 PolarHBondContact N-O 2.95Å; Q127-R140 PolarHBondContact O-N 3.27Å; Q127-V142 HydrophobicContact CB-CG2 4.18Å |
| 128 | P | 89 | Confident | 86.3 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 24% | 0.24 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 138 | 169.3 | -18.9 | 33.3 | 0 | 0 | 0 | 109.9 | D83 V85 L108 | D83-P128 WeakPolarHBondContact O-CD 3.48Å; V85-P128 HydrophobicContact CG1-CG 4.05Å; V85-P128 HydrophobicContact CG2-CG 3.98Å; L108-P128 HydrophobicContact CD1-CB 4.19Å; L108-P128 HydrophobicContact CD1-CG 3.94Å; L108-P128 HydrophobicContact CD2-CB 4.49Å |
| 129 | L | 87.3 | Confident | 86.2 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -178.3 | 174 | -61 | 179.2 | 0 | 0 | 0 | 109.3 | E138 R140 | L129-E138 HydrophobicContact CB-CB 4.13Å; L129-E138 HydrophobicContact CD1-CB 4.39Å; L129-E138 PolarHBondContact N-O 3.11Å; L129-R140 HydrophobicContact CD1-CB 4.04Å; L129-R140 HydrophobicContact CD2-CB 4.46Å; L129-R140 HydrophobicContact CG-CB 4.3Å |
| 130 | G | 79.4 | Confident | 86.1 | Confident | 57 Ų | 57 | 64 Ų | 64 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E138 | G130-E138 PolarHBondContact O-N 3Å |
| 131 | A | 77.7 | Confident | 86 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 139.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R136 | A131-R136 CarbonylContact C-O 3.58Å; A131-R136 VanDerWaalsContact CA-O 3.31Å; A131-R136 WeakPolarHBondContact CA-O 3.27Å |
| 132 | D | 71.2 | Confident | 85.9 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 16% | 0.16 | 34% | 0.335 | C | S | . | . | trans | -67.6 | -179.5 | 169.3 | 78.7 | -9.4 | 0 | 0 | 0 | 111.2 | K134 G135 R136 E138 | D132-K134 PolarHBondContact O-N 3.32Å; D132-K134 VanDerWaalsContact OD1-C 3.26Å; D132-K134 VanDerWaalsContact OD1-CA 3.25Å; D132-K134 WeakPolarHBondContact OD1-CA 3.42Å; D132-K134 WeakPolarHBondContact OD1-CB 3.28Å; D132-K134 PolarHBondContact OD1-N 3.2Å; D132-G135 PolarHBondContact O-N 2.93Å; D132-G135 PolarHBondContact OD1-N 2.93Å; D132-R136 PolarHBondContact N-O 2.91Å; D132-R136 WeakPolarHBondContact OD1-CB 3.45Å; D132-R136 PolarHBondContact OD1-N 3.45Å; D132-R136 IonicContact OD1-NE 2.71Å; D132-R136 IonicContact OD2-CZ 2.69Å; D132-R136 IonicContact OD2-NE 3.38Å; D132-R136 PolarHBondContact OD2-NE 2.81Å; D132-R136 IonicContact OD2-NH2 3.04Å; D132-R136 PolarHBondContact OD2-NH2 2.92Å; D132-E138 HydrophobicContact CB-CG 3.84Å; D132-E138 WeakPolarHBondContact CB-OE1 2.95Å | ||
| 133 | R | 68.8 | Low | 85.6 | Confident | 261 Ų | 261 | 71 Ų | 71 | 99% | 0.985 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -16.8 | 176.7 | -69.3 | -178.2 | 175.9 | 172.6 | -1.6 | 114.1 | ||
| 134 | K | 73.8 | Confident | 85.5 | Confident | 163 Ų | 163 | 69.8 Ų | 69.8 | 71% | 0.709 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 6.4 | 178.4 | -60.7 | -170.4 | 179.8 | -175.6 | 0 | 112.6 | D132 R136 | D132-K134 PolarHBondContact O-N 3.32Å; D132-K134 VanDerWaalsContact OD1-C 3.26Å; D132-K134 VanDerWaalsContact OD1-CA 3.25Å; D132-K134 WeakPolarHBondContact OD1-CA 3.42Å; D132-K134 WeakPolarHBondContact OD1-CB 3.28Å; D132-K134 PolarHBondContact OD1-N 3.2Å; K134-R136 VanDerWaalsContact C-N 3.32Å; K134-R136 HydrophobicContact CB-CG 4.4Å |
| 135 | G | 74.6 | Confident | 85.3 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 82.3 | 3.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D132 | D132-G135 PolarHBondContact O-N 2.93Å; D132-G135 PolarHBondContact OD1-N 2.93Å |
| 136 | R | 79.1 | Confident | 85.3 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 127.7 | -178.4 | -58.9 | 175.3 | -65.1 | 175.5 | 7.2 | 109.7 | A131 D132 K134 E138 | A131-R136 CarbonylContact C-O 3.58Å; A131-R136 VanDerWaalsContact CA-O 3.31Å; A131-R136 WeakPolarHBondContact CA-O 3.27Å; D132-R136 PolarHBondContact N-O 2.91Å; D132-R136 WeakPolarHBondContact OD1-CB 3.45Å; D132-R136 PolarHBondContact OD1-N 3.45Å; D132-R136 IonicContact OD1-NE 2.71Å; D132-R136 IonicContact OD2-CZ 2.69Å; D132-R136 IonicContact OD2-NE 3.38Å; D132-R136 PolarHBondContact OD2-NE 2.81Å; D132-R136 IonicContact OD2-NH2 3.04Å; D132-R136 PolarHBondContact OD2-NH2 2.92Å; K134-R136 VanDerWaalsContact C-N 3.32Å; K134-R136 HydrophobicContact CB-CG 4.4Å; R136-E138 PolarHBondContact O-N 3.12Å |
| 137 | R | 86.2 | Confident | 85.3 | Confident | 169 Ų | 169 | 76.9 Ų | 76.9 | 64% | 0.638 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 116.5 | 176.2 | -77.7 | -178.6 | 154.6 | -173.5 | -6.4 | 110.3 | L108 Y109 | L108-R137 HydrophobicContact CD2-CB 3.72Å; Y109-R137 PolarHBondContact N-O 2.97Å |
| 138 | E | 91.7 | Very high | 85.3 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 163.8 | 177.2 | -55.8 | -160.9 | 144.5 | 0 | 0 | 111.7 | Y109 L129 G130 D132 R136 | Y109-E138 HydrophobicContact CD1-CG 4.07Å; Y109-E138 CarbonylContact O-C 3.46Å; Y109-E138 VanDerWaalsContact O-CA 3.3Å; Y109-E138 WeakPolarHBondContact O-CA 3.4Å; L129-E138 HydrophobicContact CB-CB 4.13Å; L129-E138 HydrophobicContact CD1-CB 4.39Å; L129-E138 PolarHBondContact N-O 3.11Å; G130-E138 PolarHBondContact O-N 3Å; D132-E138 HydrophobicContact CB-CG 3.84Å; D132-E138 WeakPolarHBondContact CB-OE1 2.95Å; R136-E138 PolarHBondContact O-N 3.12Å |
| 139 | A | 92.4 | Very high | 84.9 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 2% | 0.017 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 147.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L99 L108 Y109 L110 A126 Q127 | L99-A139 HydrophobicContact CD2-CB 4.34Å; L108-A139 HydrophobicContact CB-CB 3.76Å; L108-A139 HydrophobicContact CD1-CB 4Å; L108-A139 HydrophobicContact CG-CB 4.47Å; Y109-A139 PolarHBondContact O-N 3.44Å; L110-A139 HydrophobicContact CD2-CB 3.97Å; A126-A139 HydrophobicContact CB-CB 4.23Å; Q127-A139 WeakPolarHBondContact O-CA 3.15Å |
| 140 | R | 92.5 | Very high | 84.9 | Confident | 118 Ų | 118 | 77.2 Ų | 77.2 | 45% | 0.445 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.1 | 170 | 178 | 179.5 | 62.9 | 176.1 | -2.1 | 109.7 | A126 Q127 L129 V142 | A126-R140 CarbonylContact C-O 3.59Å; A126-R140 VanDerWaalsContact CA-O 3.25Å; A126-R140 WeakPolarHBondContact CA-O 3.31Å; A126-R140 WeakPolarHBondContact CB-O 2.92Å; Q127-R140 PolarHBondContact N-O 2.95Å; Q127-R140 PolarHBondContact O-N 3.27Å; L129-R140 HydrophobicContact CD1-CB 4.04Å; L129-R140 HydrophobicContact CD2-CB 4.46Å; L129-R140 HydrophobicContact CG-CB 4.3Å; R140-V142 PolarHBondContact O-N 2.83Å |
| 141 | I | 92.1 | Very high | 85.4 | Confident | 27 Ų | 27 | 78.7 Ų | 78.7 | 14% | 0.138 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 127.2 | 176.3 | -55 | -65.3 | 0 | 0 | 0 | 109.2 | L110 V124 A126 | L110-I141 HydrophobicContact CD1-CD1 4.31Å; L110-I141 HydrophobicContact CD2-CD1 3.84Å; L110-I141 HydrophobicContact CD2-CG1 4.17Å; V124-I141 HydrophobicContact CB-CD1 4.08Å; V124-I141 HydrophobicContact CB-CG2 4.28Å; V124-I141 HydrophobicContact CG1-CD1 4.39Å; V124-I141 HydrophobicContact CG1-CG2 4.33Å; V124-I141 HydrophobicContact CG2-CD1 3.59Å; A126-I141 HydrophobicContact CB-CD1 4.04Å |
| 142 | V | 90 | Very high | 86.3 | Confident | 71 Ų | 71 | 76 Ų | 76 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -43 | 177.5 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | L84 L125 Q127 R140 | L84-V142 HydrophobicContact CD1-CG1 4.48Å; L84-V142 HydrophobicContact CD2-CG2 3.67Å; L125-V142 WeakPolarHBondContact O-CA 3.49Å; L125-V142 WeakPolarHBondContact O-CB 2.93Å; L125-V142 PolarHBondContact O-N 2.81Å; Q127-V142 HydrophobicContact CB-CG2 4.18Å; R140-V142 PolarHBondContact O-N 2.83Å |
| 143 | R | 89.1 | Confident | 87.5 | Confident | 95 Ų | 95 | 74.7 Ų | 74.7 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 142.3 | -177.6 | -176.1 | 176.5 | -179.5 | 157.6 | 2.9 | 111.3 | E63 V124 L125 | E63-R143 IonicContact OE1-CZ 3.45Å; E63-R143 IonicContact OE1-NH1 3.21Å; E63-R143 PolarHBondContact OE1-NH1 3.3Å; E63-R143 IonicContact OE1-NH2 2.79Å; V124-R143 CarbonylContact C-O 3.49Å; V124-R143 WeakPolarHBondContact CA-O 3.32Å; L125-R143 HydrophobicContact CB-CB 4.48Å; L125-R143 PolarHBondContact N-O 3.29Å; L125-R143 PolarHBondContact O-N 3.23Å; L125-R143 VanDerWaalsContact O-N 3.13Å |
| 144 | V | 92 | Very high | 88.9 | Confident | 49 Ų | 49 | 62.2 Ų | 62.2 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 121.1 | 165.2 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | D122 V124 P147 | D122-V144 HydrophobicContact CB-CG1 4.4Å; V124-V144 HydrophobicContact CG1-CB 4.49Å; V124-V144 HydrophobicContact CG1-CG1 4.47Å; V124-V144 HydrophobicContact CG1-CG2 4.17Å; V144-P147 HydrophobicContact CG1-CB 3.98Å |
| 145 | L | 90.3 | Very high | 90 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -52.8 | 179.9 | -60.1 | 177.3 | 0 | 0 | 0 | 110.3 | K86 Q123 L125 | K86-L145 HydrophobicContact CD-CD1 3.85Å; K86-L145 HydrophobicContact CG-CD1 3.79Å; Q123-L145 WeakPolarHBondContact O-CA 3.27Å; Q123-L145 WeakPolarHBondContact O-CB 3.47Å; Q123-L145 PolarHBondContact O-N 2.81Å; L125-L145 HydrophobicContact CB-CD1 4.35Å; L125-L145 HydrophobicContact CB-CD2 4.3Å; L125-L145 HydrophobicContact CB-CG 4.33Å |
| 146 | V | 91.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 47% | 0.473 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 104.9 | 175.7 | -173.8 | 0 | 0 | 0 | 0 | 107.4 | Q123 | Q123-V146 HydrophobicContact CB-CB 3.97Å; Q123-V146 HydrophobicContact CB-CG2 4.36Å; Q123-V146 HydrophobicContact CG-CB 4.27Å; Q123-V146 PolarHBondContact N-O 3.45Å; Q123-V146 PolarHBondContact O-N 3.37Å |
| 147 | P | 93 | Very high | 92 | Very high | 54 Ų | 54 | 56 Ų | 56 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | trans | -67.8 | 142.7 | 175.7 | 27.5 | -31.8 | 0 | 0 | 0 | 110 | D122 V144 T149 | D122-P147 WeakPolarHBondContact OD1-CA 3.48Å; V144-P147 HydrophobicContact CG1-CB 3.98Å; P147-T149 HydrophobicContact CB-CG2 4.16Å; P147-T149 HydrophobicContact CG-CG2 3.95Å; P147-T149 PolarHBondContact O-N 3.06Å; P147-T149 VanDerWaalsContact O-N 3.07Å | ||
| 148 | K | 89 | Confident | 92.5 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | trans | -66.5 | 106.9 | 166 | -174.9 | 68.9 | 159.6 | 169.4 | 0 | 108.3 | I119 H120 D122 S150 E232 | I119-K148 HydrophobicContact CG2-CB 4.42Å; H120-K148 WeakPolarHBondContact O-CG 3.42Å; D122-K148 PolarHBondContact OD1-N 2.71Å; K148-S150 WeakPolarHBondContact CD-OG 3.25Å; K148-S150 WeakPolarHBondContact CE-OG 3.38Å; K148-S150 PolarHBondContact NZ-OG 3.05Å; K148-E232 IonicContact NZ-OE2 2.76Å; K148-E232 PolarHBondContact NZ-OE2 3.11Å | ||
| 149 | T | 81.9 | Confident | 92.6 | Very high | 103 Ų | 103 | 54.9 Ų | 54.9 | 63% | 0.632 | 27% | 0.274 | S | S | * | . | trans | -118.9 | 6.9 | 177.7 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | P147 | P147-T149 HydrophobicContact CB-CG2 4.16Å; P147-T149 HydrophobicContact CG-CG2 3.95Å; P147-T149 PolarHBondContact O-N 3.06Å; P147-T149 VanDerWaalsContact O-N 3.07Å | ||
| 150 | S | 86 | Confident | 92.6 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -62.2 | 162.4 | 175 | 72 | 0 | 0 | 0 | 0 | 110.4 | K148 E232 | K148-S150 WeakPolarHBondContact CD-OG 3.25Å; K148-S150 WeakPolarHBondContact CE-OG 3.38Å; K148-S150 PolarHBondContact NZ-OG 3.05Å; S150-E232 WeakPolarHBondContact CB-OE1 3.34Å |
| 151 | Q | 91.8 | Very high | 92.4 | Very high | 87 Ų | 87 | 57.6 Ų | 57.6 | 41% | 0.407 | 33% | 0.329 | S | S | . | . | trans | -57.9 | 145.6 | 171.1 | -71.4 | 175.7 | -8.5 | 0 | 0 | 110.9 | V193 V194 V211 | Q151-V193 HydrophobicContact CB-CG1 3.53Å; Q151-V193 HydrophobicContact CG-CG1 3.83Å; Q151-V194 CarbonylContact C-O 3.47Å; Q151-V194 WeakPolarHBondContact CA-O 3.3Å; Q151-V211 HydrophobicContact CG-CG2 4.37Å | ||
| 152 | I | 95.9 | Very high | 92.6 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.8 | 176.7 | -63.4 | 174.8 | 0 | 0 | 0 | 107.8 | P167 L172 I176 V194 L196 | I152-P167 HydrophobicContact CG2-CB 3.94Å; I152-P167 HydrophobicContact CG2-CG 4.13Å; I152-L172 HydrophobicContact CB-CD1 4.5Å; I152-L172 HydrophobicContact CD1-CD1 4.2Å; I152-L172 HydrophobicContact CG1-CD1 4.11Å; I152-L172 HydrophobicContact CG2-CD1 3.7Å; I152-I176 HydrophobicContact CB-CD1 4.24Å; I152-I176 HydrophobicContact CD1-CD1 3.77Å; I152-I176 HydrophobicContact CG2-CD1 3.91Å; I152-V194 PolarHBondContact N-O 3.25Å; I152-V194 PolarHBondContact O-N 3.45Å; I152-L196 HydrophobicContact CD1-CD1 3.73Å; I152-L196 HydrophobicContact CD1-CD2 4.26Å; I152-L196 HydrophobicContact CD1-CG 3.79Å |
| 153 | V | 96.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 140.4 | 172.6 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | P167 D168 V191 V192 I226 R229 | V153-P167 WeakPolarHBondContact O-CA 3.37Å; V153-D168 PolarHBondContact O-N 2.72Å; V153-V191 HydrophobicContact CG1-CG1 3.74Å; V153-V192 WeakPolarHBondContact CA-O 3.36Å; V153-I226 HydrophobicContact CB-CG2 4.47Å; V153-I226 HydrophobicContact CG1-CB 4.31Å; V153-I226 HydrophobicContact CG1-CG1 3.9Å; V153-I226 HydrophobicContact CG1-CG2 4.04Å; V153-R229 HydrophobicContact CG2-CB 3.48Å; V153-R229 VanDerWaalsContact CG2-CB 3.48Å |
| 154 | G | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | -176.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V166 V191 V192 | G154-V166 CarbonylContact C-O 3.47Å; G154-V166 WeakPolarHBondContact CA-O 3Å; G154-V191 CarbonylContact O-C 3.56Å; G154-V191 WeakPolarHBondContact O-CA 3.09Å; G154-V192 PolarHBondContact N-O 3.42Å; G154-V192 PolarHBondContact O-N 3.09Å |
| 155 | R | 97.5 | Very high | 93.6 | Very high | 108 Ų | 108 | 51.2 Ų | 51.2 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.7 | 179.4 | -66.8 | 174.4 | 67.9 | -167.1 | 2.2 | 110.8 | F157 V165 V166 F190 V191 | R155-F157 HydrophobicContact CB-CD2 4.45Å; R155-F157 HydrophobicContact CB-CE2 3.56Å; R155-F157 HydrophobicContact CB-CZ 3.79Å; R155-F157 VanDerWaalsContact O-CD2 3.28Å; R155-F157 WeakPolarHBondContact O-CD2 3.48Å; R155-F157 WeakPolarHBondContact O-CE2 3.39Å; R155-V165 WeakPolarHBondContact O-CA 3.49Å; R155-V166 PolarHBondContact N-O 2.82Å; R155-V166 PolarHBondContact O-N 3.46Å; R155-F190 CarbonylContact C-O 3.4Å; R155-F190 WeakPolarHBondContact CA-O 3.42Å; R155-V191 HydrophobicContact CG-CG2 4.34Å |
| 156 | Y | 98.3 | Very high | 94 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.4 | -179.7 | 178.6 | -101.5 | 0 | 0 | 0 | 111.9 | T158 V165 I178 I183 A186 R187 G189 F190 I210 | Y156-T158 HydrophobicContact CE1-CG2 3.88Å; Y156-T158 WeakPolarHBondContact OH-CG2 3.41Å; Y156-V165 HydrophobicContact CD2-CG2 4.02Å; Y156-I178 HydrophobicContact CE2-CB 4.39Å; Y156-I183 HydrophobicContact CE2-CG2 4.13Å; Y156-A186 HydrophobicContact CD1-CB 3.89Å; Y156-A186 HydrophobicContact CD2-CB 4.44Å; Y156-A186 HydrophobicContact CE1-CB 4.37Å; Y156-A186 HydrophobicContact CG-CB 3.92Å; Y156-R187 WeakPolarHBondContact CD1-O 3.37Å; Y156-G189 PolarHBondContact O-N 3.01Å; Y156-F190 PolarHBondContact N-O 3.06Å; Y156-I210 HydrophobicContact CD2-CD1 3.88Å; Y156-I210 HydrophobicContact CE2-CD1 4.41Å; Y156-I210 HydrophobicContact CG-CD1 4.41Å |
| 157 | F | 97.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 168.1 | 175.9 | -58.1 | -78.1 | 0 | 0 | 0 | 110.9 | R155 G163 F164 V166 M188 | R155-F157 HydrophobicContact CB-CD2 4.45Å; R155-F157 HydrophobicContact CB-CE2 3.56Å; R155-F157 HydrophobicContact CB-CZ 3.79Å; R155-F157 VanDerWaalsContact O-CD2 3.28Å; R155-F157 WeakPolarHBondContact O-CD2 3.48Å; R155-F157 WeakPolarHBondContact O-CE2 3.39Å; F157-G163 WeakPolarHBondContact O-CA 3.46Å; F157-F164 HydrophobicContact CB-CD1 4.33Å; F157-F164 HydrophobicContact CB-CE1 3.74Å; F157-F164 HydrophobicContact CB-CE2 4.02Å; F157-F164 HydrophobicContact CB-CZ 3.58Å; F157-F164 HydrophobicContact CD2-CE2 4.29Å; F157-F164 HydrophobicContact CG-CZ 4.4Å; F157-F164 PolarHBondContact N-O 3.38Å; F157-F164 PolarHBondContact O-N 3.37Å; F157-F164 VanDerWaalsContact O-O 3.11Å; F157-V166 HydrophobicContact CD2-CB 4.44Å; F157-V166 HydrophobicContact CD2-CG2 3.87Å; F157-V166 HydrophobicContact CE2-CB 4.2Å; F157-V166 HydrophobicContact CE2-CG2 3.99Å; F157-M188 VanDerWaalsContact CA-SD 3.54Å; F157-M188 HydrophobicContact CB-CE 4.14Å; F157-M188 HydrophobicContact CB-SD 3.95Å; F157-M188 HydrophobicContact CD1-CE 3.67Å; F157-M188 HydrophobicContact CD1-SD 3.82Å; F157-M188 HydrophobicContact CG-CE 4.39Å; F157-M188 HydrophobicContact CG-SD 4.37Å |
| 158 | T | 96.7 | Very high | 94.3 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.1 | 172.5 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | Y156 V162 M188 | Y156-T158 HydrophobicContact CE1-CG2 3.88Å; Y156-T158 WeakPolarHBondContact OH-CG2 3.41Å; T158-V162 WeakPolarHBondContact CA-O 3.21Å; T158-M188 PolarHBondContact N-SD 3.01Å; T158-M188 VanDerWaalsContact N-SD 3.44Å |
| 159 | E | 93.5 | Very high | 94.5 | Very high | 131 Ų | 131 | 50.2 Ų | 50.2 | 61% | 0.612 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 126.5 | 173.1 | -177.8 | 174.8 | -161.9 | 0 | 0 | 108.5 | G161 V162 F164 | E159-G161 PolarHBondContact O-N 2.9Å; E159-V162 PolarHBondContact N-O 3.02Å; E159-V162 PolarHBondContact O-N 3.01Å; E159-F164 HydrophobicContact CB-CD1 4.33Å; E159-F164 HydrophobicContact CB-CE1 3.67Å |
| 160 | A | 91.6 | Very high | 95 | Very high | 107 Ų | 107 | 48 Ų | 48 | 88% | 0.884 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 33.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | V162 | A160-V162 VanDerWaalsContact C-N 3.28Å; A160-V162 PolarHBondContact O-N 3.07Å |
| 161 | G | 89.2 | Confident | 95.3 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 72% | 0.722 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -3.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E159 | E159-G161 PolarHBondContact O-N 2.9Š|
| 162 | V | 95 | Very high | 95.4 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.9 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | T158 E159 A160 L177 | T158-V162 WeakPolarHBondContact CA-O 3.21Å; E159-V162 PolarHBondContact N-O 3.02Å; E159-V162 PolarHBondContact O-N 3.01Å; A160-V162 VanDerWaalsContact C-N 3.28Å; A160-V162 PolarHBondContact O-N 3.07Å; V162-L177 HydrophobicContact CG1-CD2 4.13Å |
| 163 | G | 97.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 139.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F157 I178 | F157-G163 WeakPolarHBondContact O-CA 3.46Å; G163-I178 PolarHBondContact O-N 3.45Å |
| 164 | F | 98 | Very high | 95.1 | Very high | 28 Ų | 28 | 51.3 Ų | 51.3 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157.4 | 173.3 | 68.6 | -80.8 | 0 | 0 | 0 | 111 | F157 E159 V166 D175 I176 L177 | F157-F164 HydrophobicContact CB-CD1 4.33Å; F157-F164 HydrophobicContact CB-CE1 3.74Å; F157-F164 HydrophobicContact CB-CE2 4.02Å; F157-F164 HydrophobicContact CB-CZ 3.58Å; F157-F164 HydrophobicContact CD2-CE2 4.29Å; F157-F164 HydrophobicContact CG-CZ 4.4Å; F157-F164 PolarHBondContact N-O 3.38Å; F157-F164 PolarHBondContact O-N 3.37Å; F157-F164 VanDerWaalsContact O-O 3.11Å; E159-F164 HydrophobicContact CB-CD1 4.33Å; E159-F164 HydrophobicContact CB-CE1 3.67Å; F164-V166 HydrophobicContact CD2-CG2 4.05Å; F164-V166 HydrophobicContact CE2-CG2 3.7Å; F164-D175 HydrophobicContact CD2-CB 4.04Å; F164-I176 CarbonylContact C-O 3.38Å; F164-I176 WeakPolarHBondContact CA-O 3.39Å; F164-L177 HydrophobicContact CB-CD2 4.06Å |
| 165 | V | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.3 | 176 | 174 | 0 | 0 | 0 | 0 | 108.9 | R155 Y156 I176 I178 V192 V194 I210 | R155-V165 WeakPolarHBondContact O-CA 3.49Å; Y156-V165 HydrophobicContact CD2-CG2 4.02Å; V165-I176 PolarHBondContact N-O 3.49Å; V165-I176 PolarHBondContact O-N 3.23Å; V165-I178 HydrophobicContact CG2-CD1 4.09Å; V165-I178 HydrophobicContact CG2-CG1 3.74Å; V165-V192 HydrophobicContact CB-CG2 4.48Å; V165-V192 HydrophobicContact CG1-CG2 4.04Å; V165-V192 HydrophobicContact CG2-CG2 3.56Å; V165-V194 HydrophobicContact CB-CG2 3.97Å; V165-V194 HydrophobicContact CG1-CG2 3.84Å; V165-V194 HydrophobicContact CG2-CG2 3.75Å; V165-I210 HydrophobicContact CG2-CD1 4.42Å |
| 166 | V | 97.4 | Very high | 95 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 115.9 | 168.9 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | G154 R155 F157 F164 | G154-V166 CarbonylContact C-O 3.47Å; G154-V166 WeakPolarHBondContact CA-O 3Å; R155-V166 PolarHBondContact N-O 2.82Å; R155-V166 PolarHBondContact O-N 3.46Å; F157-V166 HydrophobicContact CD2-CB 4.44Å; F157-V166 HydrophobicContact CD2-CG2 3.87Å; F157-V166 HydrophobicContact CE2-CB 4.2Å; F157-V166 HydrophobicContact CE2-CG2 3.99Å; F164-V166 HydrophobicContact CD2-CG2 4.05Å; F164-V166 HydrophobicContact CE2-CG2 3.7Å |
| 167 | P | 96.6 | Very high | 95 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 7% | 0.071 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 142.3 | 177.1 | -26 | 35.8 | 0 | 0 | 0 | 112.2 | I152 V153 L172 F174 I176 | I152-P167 HydrophobicContact CG2-CB 3.94Å; I152-P167 HydrophobicContact CG2-CG 4.13Å; V153-P167 WeakPolarHBondContact O-CA 3.37Å; P167-L172 HydrophobicContact CB-CB 3.69Å; P167-L172 HydrophobicContact CB-CD1 3.95Å; P167-L172 HydrophobicContact CB-CG 4.47Å; P167-L172 HydrophobicContact CG-CB 3.86Å; P167-L172 HydrophobicContact CG-CD1 4.49Å; P167-F174 VanDerWaalsContact CD-O 3.22Å; P167-F174 WeakPolarHBondContact CD-O 3.47Å; P167-F174 WeakPolarHBondContact CG-O 3.47Å; P167-I176 HydrophobicContact CG-CD1 4.21Å; P167-I176 HydrophobicContact CG-CG1 4.48Å |
| 168 | D | 94.2 | Very high | 95 | Very high | 87 Ų | 87 | 48.3 Ų | 48.3 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -70.9 | -41.8 | 177.1 | -169 | 73.6 | 0 | 0 | 0 | 111.1 | V153 S170 I226 | V153-D168 PolarHBondContact O-N 2.72Å; D168-S170 PolarHBondContact O-N 2.95Å; D168-I226 HydrophobicContact CB-CG2 4.44Å; D168-I226 WeakPolarHBondContact OD2-CG2 3.5Å |
| 169 | D | 92.5 | Very high | 95 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -72.4 | 101.3 | 169.3 | -175.9 | -5.2 | 0 | 0 | 0 | 110.8 | H120 R171 L172 | H120-D169 IonicContact CD2-OD2 3.92Å; D169-R171 VanDerWaalsContact CG-NE 3.34Å; D169-R171 PolarHBondContact O-N 2.79Å; D169-R171 WeakPolarHBondContact OD1-CB 3.32Å; D169-R171 VanDerWaalsContact OD1-CG 3.26Å; D169-R171 WeakPolarHBondContact OD1-CG 3.28Å; D169-R171 IonicContact OD1-CZ 2.85Å; D169-R171 PolarHBondContact OD1-N 2.87Å; D169-R171 IonicContact OD1-NE 3.84Å; D169-R171 PolarHBondContact OD1-NE 3.13Å; D169-R171 IonicContact OD1-NH2 2.82Å; D169-R171 IonicContact OD2-CZ 3.9Å; D169-R171 IonicContact OD2-NE 2.72Å; D169-R171 PolarHBondContact OD2-NE 3.35Å; D169-R171 IonicContact OD2-NH2 2.82Å; D169-R171 PolarHBondContact OD2-NH2 3.28Å; D169-L172 HydrophobicContact CB-CD1 4.45Å; D169-L172 WeakPolarHBondContact O-CB 3.45Å; D169-L172 PolarHBondContact O-N 2.74Å |
| 170 | S | 92.9 | Very high | 95.1 | Very high | 55 Ų | 55 | 45.9 Ų | 45.9 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -14.1 | 178.3 | 66.1 | 0 | 0 | 0 | 0 | 115.3 | R93 D168 L172 | R93-S170 VanDerWaalsContact CA-O 3.28Å; R93-S170 WeakPolarHBondContact CA-O 3.38Å; D168-S170 PolarHBondContact O-N 2.95Å; S170-L172 PolarHBondContact O-N 2.76Å |
| 171 | R | 92.7 | Very high | 95.3 | Very high | 81 Ų | 81 | 46.5 Ų | 46.5 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.8 | 171.6 | -60.5 | 174.8 | -67 | -173 | 2 | 112.1 | G91 H120 D169 S173 | G91-R171 WeakPolarHBondContact O-CB 3.14Å; G91-R171 WeakPolarHBondContact O-CG 3.44Å; H120-R171 HydrophobicContact CB-CB 4.16Å; D169-R171 VanDerWaalsContact CG-NE 3.34Å; D169-R171 PolarHBondContact O-N 2.79Å; D169-R171 WeakPolarHBondContact OD1-CB 3.32Å; D169-R171 VanDerWaalsContact OD1-CG 3.26Å; D169-R171 WeakPolarHBondContact OD1-CG 3.28Å; D169-R171 IonicContact OD1-CZ 2.85Å; D169-R171 PolarHBondContact OD1-N 2.87Å; D169-R171 IonicContact OD1-NE 3.84Å; D169-R171 PolarHBondContact OD1-NE 3.13Å; D169-R171 IonicContact OD1-NH2 2.82Å; D169-R171 IonicContact OD2-CZ 3.9Å; D169-R171 IonicContact OD2-NE 2.72Å; D169-R171 PolarHBondContact OD2-NE 3.35Å; D169-R171 IonicContact OD2-NH2 2.82Å; D169-R171 PolarHBondContact OD2-NH2 3.28Å; R171-S173 VanDerWaalsContact C-N 3.28Å; R171-S173 PolarHBondContact O-N 3.46Å |
| 172 | L | 93.4 | Very high | 95.7 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -83.1 | 72.5 | 166.1 | -61.9 | 169.5 | 0 | 0 | 0 | 109 | I119 H120 I152 P167 D169 S170 F174 | I119-L172 HydrophobicContact CG2-CD2 3.28Å; H120-L172 HydrophobicContact CB-CD2 3.92Å; H120-L172 HydrophobicContact CB-CG 4.47Å; I152-L172 HydrophobicContact CB-CD1 4.5Å; I152-L172 HydrophobicContact CD1-CD1 4.2Å; I152-L172 HydrophobicContact CG1-CD1 4.11Å; I152-L172 HydrophobicContact CG2-CD1 3.7Å; P167-L172 HydrophobicContact CB-CB 3.69Å; P167-L172 HydrophobicContact CB-CD1 3.95Å; P167-L172 HydrophobicContact CB-CG 4.47Å; P167-L172 HydrophobicContact CG-CB 3.86Å; P167-L172 HydrophobicContact CG-CD1 4.49Å; D169-L172 HydrophobicContact CB-CD1 4.45Å; D169-L172 WeakPolarHBondContact O-CB 3.45Å; D169-L172 PolarHBondContact O-N 2.74Å; S170-L172 PolarHBondContact O-N 2.76Å; L172-F174 HydrophobicContact CB-CE1 4.4Å; L172-F174 HydrophobicContact CB-CZ 4.45Å; L172-F174 HydrophobicContact CD2-CE1 4.29Å; L172-F174 HydrophobicContact CD2-CZ 4.15Å; L172-F174 PolarHBondContact O-N 2.59Å |
| 173 | S | 93.1 | Very high | 95.8 | Very high | 48 Ų | 48 | 45 Ų | 45 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | trans | -76.3 | 49.7 | -169.3 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | R171 | R171-S173 VanDerWaalsContact C-N 3.28Å; R171-S173 PolarHBondContact O-N 3.46Å | ||
| 174 | F | 93.7 | Very high | 95.8 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -155.3 | 148.5 | 178.8 | 54.6 | -95 | 0 | 0 | 0 | 111.7 | I119 P167 L172 I176 P200 A206 | I119-F174 HydrophobicContact CB-CE1 4.46Å; I119-F174 HydrophobicContact CB-CZ 4.49Å; I119-F174 HydrophobicContact CD1-CZ 3.96Å; I119-F174 HydrophobicContact CG1-CE1 3.99Å; I119-F174 HydrophobicContact CG1-CZ 3.91Å; I119-F174 HydrophobicContact CG2-CE1 4.08Å; I119-F174 HydrophobicContact CG2-CZ 3.88Å; P167-F174 VanDerWaalsContact CD-O 3.22Å; P167-F174 WeakPolarHBondContact CD-O 3.47Å; P167-F174 WeakPolarHBondContact CG-O 3.47Å; L172-F174 HydrophobicContact CB-CE1 4.4Å; L172-F174 HydrophobicContact CB-CZ 4.45Å; L172-F174 HydrophobicContact CD2-CE1 4.29Å; L172-F174 HydrophobicContact CD2-CZ 4.15Å; L172-F174 PolarHBondContact O-N 2.59Å; F174-I176 HydrophobicContact CD2-CG1 4.16Å; F174-I176 HydrophobicContact CE2-CD1 4.44Å; F174-I176 HydrophobicContact CE2-CG1 3.97Å; F174-P200 HydrophobicContact CD1-CG 4.23Å; F174-P200 HydrophobicContact CD2-CG 4.41Å; F174-P200 HydrophobicContact CE1-CG 4.19Å; F174-P200 HydrophobicContact CE2-CG 4.37Å; F174-P200 HydrophobicContact CG-CG 4.35Å; F174-P200 HydrophobicContact CZ-CG 4.26Å; F174-A206 HydrophobicContact CD2-CB 3.73Å; F174-A206 HydrophobicContact CE2-CB 3.76Å |
| 175 | D | 96.3 | Very high | 95.6 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | trans | -77 | 149.5 | 170 | -44.2 | -39.9 | 0 | 0 | 0 | 111 | F164 K205 | F164-D175 HydrophobicContact CD2-CB 4.04Å; D175-K205 IonicContact OD2-NZ 2.85Å; D175-K205 PolarHBondContact OD2-NZ 3.5Å | ||
| 176 | I | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.9 | 174 | -51.3 | 169.8 | 0 | 0 | 0 | 108.7 | I152 F164 V165 P167 F174 I178 V194 L196 A206 | I152-I176 HydrophobicContact CB-CD1 4.24Å; I152-I176 HydrophobicContact CD1-CD1 3.77Å; I152-I176 HydrophobicContact CG2-CD1 3.91Å; F164-I176 CarbonylContact C-O 3.38Å; F164-I176 WeakPolarHBondContact CA-O 3.39Å; V165-I176 PolarHBondContact N-O 3.49Å; V165-I176 PolarHBondContact O-N 3.23Å; P167-I176 HydrophobicContact CG-CD1 4.21Å; P167-I176 HydrophobicContact CG-CG1 4.48Å; F174-I176 HydrophobicContact CD2-CG1 4.16Å; F174-I176 HydrophobicContact CE2-CD1 4.44Å; F174-I176 HydrophobicContact CE2-CG1 3.97Å; I176-I178 HydrophobicContact CG2-CD1 4.09Å; I176-V194 HydrophobicContact CD1-CG1 4.2Å; I176-V194 HydrophobicContact CG2-CG1 3.98Å; I176-L196 HydrophobicContact CD1-CD2 3.91Å; I176-L196 HydrophobicContact CG1-CD2 4.08Å; I176-L196 HydrophobicContact CG2-CD2 3.73Å; I176-A206 HydrophobicContact CB-CB 4.48Å; I176-A206 HydrophobicContact CG1-CB 4.18Å; I176-A206 HydrophobicContact CG2-CB 4.31Å |
| 177 | L | 97.9 | Very high | 95.4 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 135.5 | 175.5 | -59.2 | -177.3 | 0 | 0 | 0 | 110.1 | V162 F164 K205 A206 V207 G208 | V162-L177 HydrophobicContact CG1-CD2 4.13Å; F164-L177 HydrophobicContact CB-CD2 4.06Å; L177-K205 HydrophobicContact CD1-CB 4.03Å; L177-K205 HydrophobicContact CD1-CD 4.41Å; L177-K205 HydrophobicContact CD2-CD 4.06Å; L177-K205 HydrophobicContact CG-CB 4.03Å; L177-K205 HydrophobicContact CG-CD 4.21Å; L177-A206 PolarHBondContact N-O 3.15Å; L177-V207 WeakPolarHBondContact O-CA 3.39Å; L177-G208 PolarHBondContact O-N 3.44Å |
| 178 | I | 98.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.1 | 178.8 | -51.8 | -59 | 0 | 0 | 0 | 108.7 | Y156 G163 V165 I176 Q182 I183 V194 I210 | Y156-I178 HydrophobicContact CE2-CB 4.39Å; G163-I178 PolarHBondContact O-N 3.45Å; V165-I178 HydrophobicContact CG2-CD1 4.09Å; V165-I178 HydrophobicContact CG2-CG1 3.74Å; I176-I178 HydrophobicContact CG2-CD1 4.09Å; I178-Q182 HydrophobicContact CG2-CB 4.21Å; I178-Q182 WeakPolarHBondContact CG2-O 3.31Å; I178-I183 HydrophobicContact CG2-CG2 3.83Å; I178-V194 HydrophobicContact CD1-CG1 3.92Å; I178-V194 HydrophobicContact CD1-CG2 4.28Å; I178-I210 HydrophobicContact CD1-CG1 4.37Å; I178-I210 HydrophobicContact CG1-CG1 4.4Å; I178-I210 HydrophobicContact CG2-CD1 4.3Å; I178-I210 HydrophobicContact CG2-CG1 4.21Å |
| 179 | P | 96.7 | Very high | 95.5 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 28% | 0.279 | 32% | 0.322 | S | S | . | . | trans | -57.2 | 145.8 | 172.6 | -25.4 | 35.8 | 0 | 0 | 0 | 111.8 | D181 Q182 V207 G208 | P179-D181 VanDerWaalsContact CB-OD1 3.28Å; P179-D181 WeakPolarHBondContact CB-OD1 3.5Å; P179-D181 PolarHBondContact O-N 2.84Å; P179-D181 VanDerWaalsContact O-N 3.11Å; P179-Q182 HydrophobicContact CB-CB 4.4Å; P179-Q182 HydrophobicContact CB-CG 4.11Å; P179-Q182 HydrophobicContact CG-CG 4.34Å; P179-Q182 PolarHBondContact O-N 2.64Å; P179-V207 HydrophobicContact CG-CG1 4Å; P179-G208 VanDerWaalsContact CD-O 3.25Å; P179-G208 WeakPolarHBondContact CD-O 3.43Å | ||
| 180 | P | 95.2 | Very high | 95.7 | Very high | 105 Ų | 105 | 59.3 Ų | 59.3 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -57.7 | -28.7 | -175 | -26.3 | 34.6 | 0 | 0 | 0 | 115.1 | Q182 I183 | P180-Q182 VanDerWaalsContact C-N 3.28Å; P180-I183 WeakPolarHBondContact O-CG1 3.49Å |
| 181 | D | 96.2 | Very high | 95.9 | Very high | 121 Ų | 121 | 56.8 Ų | 56.8 | 65% | 0.647 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -79.8 | -7.5 | 177.2 | 62.1 | -58.1 | 0 | 0 | 0 | 113.6 | P179 | P179-D181 VanDerWaalsContact CB-OD1 3.28Å; P179-D181 WeakPolarHBondContact CB-OD1 3.5Å; P179-D181 PolarHBondContact O-N 2.84Å; P179-D181 VanDerWaalsContact O-N 3.11Å |
| 182 | Q | 97.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 53 Ų | 53 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -115.3 | 18.3 | -174.7 | -58.1 | -61.7 | -42.5 | 0 | 0 | 112.9 | I178 P179 P180 K209 I210 | I178-Q182 HydrophobicContact CG2-CB 4.21Å; I178-Q182 WeakPolarHBondContact CG2-O 3.31Å; P179-Q182 HydrophobicContact CB-CB 4.4Å; P179-Q182 HydrophobicContact CB-CG 4.11Å; P179-Q182 HydrophobicContact CG-CG 4.34Å; P179-Q182 PolarHBondContact O-N 2.64Å; P180-Q182 VanDerWaalsContact C-N 3.28Å; Q182-K209 HydrophobicContact CB-CB 3.76Å; Q182-K209 HydrophobicContact CG-CB 4.09Å; Q182-I210 PolarHBondContact O-N 3.16Å |
| 183 | I | 96.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 52 Ų | 52 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -85.9 | -12.3 | -175.8 | 66.9 | 169.8 | 0 | 0 | 0 | 114.5 | Y156 I178 P180 G185 A186 | Y156-I183 HydrophobicContact CE2-CG2 4.13Å; I178-I183 HydrophobicContact CG2-CG2 3.83Å; P180-I183 WeakPolarHBondContact O-CG1 3.49Å; I183-G185 PolarHBondContact O-N 3.25Å; I183-A186 VanDerWaalsContact O-CB 3.22Å; I183-A186 WeakPolarHBondContact O-CB 3.45Å; I183-A186 PolarHBondContact O-N 3.38Å |
| 184 | M | 96.6 | Very high | 96.6 | Very high | 114 Ų | 114 | 49.8 Ų | 49.8 | 56% | 0.562 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 30.5 | -175.4 | -74.4 | -168.9 | 63.2 | 0 | 0 | 115.4 | A186 I210 V211 V213 | M184-A186 VanDerWaalsContact C-N 3.32Å; M184-A186 PolarHBondContact O-N 3.33Å; M184-I210 HydrophobicContact CB-CB 4.33Å; M184-I210 HydrophobicContact CB-CG2 3.94Å; M184-I210 HydrophobicContact CG-CG2 4.39Å; M184-I210 WeakPolarHBondContact CG-O 3.31Å; M184-I210 VanDerWaalsContact SD-C 3.58Å; M184-I210 HydrophobicContact SD-CG2 4.38Å; M184-V211 WeakPolarHBondContact SD-CA 3.5Å; M184-V211 VanDerWaalsContact SD-O 3.41Å; M184-V213 HydrophobicContact CB-CG2 4.06Å |
| 185 | G | 94.7 | Very high | 96.7 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 57% | 0.567 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 15.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I183 | I183-G185 PolarHBondContact O-N 3.25Š|
| 186 | A | 96.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | trans | -57.4 | 142.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y156 I183 M184 V192 I210 V213 | Y156-A186 HydrophobicContact CD1-CB 3.89Å; Y156-A186 HydrophobicContact CD2-CB 4.44Å; Y156-A186 HydrophobicContact CE1-CB 4.37Å; Y156-A186 HydrophobicContact CG-CB 3.92Å; I183-A186 VanDerWaalsContact O-CB 3.22Å; I183-A186 WeakPolarHBondContact O-CB 3.45Å; I183-A186 PolarHBondContact O-N 3.38Å; M184-A186 VanDerWaalsContact C-N 3.32Å; M184-A186 PolarHBondContact O-N 3.33Å; A186-V192 HydrophobicContact CB-CG1 3.82Å; A186-I210 HydrophobicContact CB-CD1 3.71Å; A186-V213 HydrophobicContact CB-CG2 4.28Å | ||
| 187 | R | 95.4 | Very high | 96.6 | Very high | 174 Ų | 174 | 54 Ų | 54 | 66% | 0.657 | 29% | 0.292 | S | S | * | . | trans | -111.3 | 160.9 | 177.4 | -57.7 | -177.2 | -175.1 | 169.8 | 0.3 | 110.6 | Y156 G189 F190 | Y156-R187 WeakPolarHBondContact CD1-O 3.37Å; R187-G189 PolarHBondContact O-N 2.95Å; R187-F190 HydrophobicContact CB-CD1 3.86Å; R187-F190 HydrophobicContact CB-CD2 4.01Å; R187-F190 HydrophobicContact CB-CE1 3.8Å; R187-F190 HydrophobicContact CB-CE2 3.94Å; R187-F190 HydrophobicContact CB-CG 4.01Å; R187-F190 HydrophobicContact CB-CZ 3.86Å; R187-F190 HydrophobicContact CG-CD2 4.33Å; R187-F190 HydrophobicContact CG-CE1 4.39Å; R187-F190 HydrophobicContact CG-CE2 3.89Å; R187-F190 HydrophobicContact CG-CZ 3.96Å; R187-F190 VanDerWaalsContact O-CB 3.29Å; R187-F190 WeakPolarHBondContact O-CB 3.44Å; R187-F190 PolarHBondContact O-N 3.07Å | ||
| 188 | M | 96.1 | Very high | 96.5 | Very high | 119 Ų | 119 | 56.9 Ų | 56.9 | 59% | 0.586 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 123 | 178.4 | -170.7 | 70.9 | 169.1 | 0 | 0 | 110.9 | F157 T158 | F157-M188 VanDerWaalsContact CA-SD 3.54Å; F157-M188 HydrophobicContact CB-CE 4.14Å; F157-M188 HydrophobicContact CB-SD 3.95Å; F157-M188 HydrophobicContact CD1-CE 3.67Å; F157-M188 HydrophobicContact CD1-SD 3.82Å; F157-M188 HydrophobicContact CG-CE 4.39Å; F157-M188 HydrophobicContact CG-SD 4.37Å; T158-M188 PolarHBondContact N-SD 3.01Å; T158-M188 VanDerWaalsContact N-SD 3.44Å |
| 189 | G | 95.4 | Very high | 96.3 | Very high | 13 Ų | 13 | 59.8 Ų | 59.8 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -8.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | Y156 R187 | Y156-G189 PolarHBondContact O-N 3.01Å; R187-G189 PolarHBondContact O-N 2.95Å |
| 190 | F | 97.6 | Very high | 96.1 | Very high | 28 Ų | 28 | 58.4 Ų | 58.4 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | trans | -65 | 141 | -179.3 | -80.2 | 17.7 | 0 | 0 | 0 | 111.6 | R155 Y156 R187 V192 V213 D216 | R155-F190 CarbonylContact C-O 3.4Å; R155-F190 WeakPolarHBondContact CA-O 3.42Å; Y156-F190 PolarHBondContact N-O 3.06Å; R187-F190 HydrophobicContact CB-CD1 3.86Å; R187-F190 HydrophobicContact CB-CD2 4.01Å; R187-F190 HydrophobicContact CB-CE1 3.8Å; R187-F190 HydrophobicContact CB-CE2 3.94Å; R187-F190 HydrophobicContact CB-CG 4.01Å; R187-F190 HydrophobicContact CB-CZ 3.86Å; R187-F190 HydrophobicContact CG-CD2 4.33Å; R187-F190 HydrophobicContact CG-CE1 4.39Å; R187-F190 HydrophobicContact CG-CE2 3.89Å; R187-F190 HydrophobicContact CG-CZ 3.96Å; R187-F190 VanDerWaalsContact O-CB 3.29Å; R187-F190 WeakPolarHBondContact O-CB 3.44Å; R187-F190 PolarHBondContact O-N 3.07Å; F190-V192 HydrophobicContact CB-CG1 4.32Å; F190-V213 HydrophobicContact CD2-CG1 3.67Å; F190-V213 HydrophobicContact CE2-CG1 4.34Å; F190-D216 HydrophobicContact CD1-CB 3.71Å; F190-D216 HydrophobicContact CE1-CB 3.71Å | ||
| 191 | V | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 129.9 | 166.3 | -172 | 0 | 0 | 0 | 0 | 108.7 | V153 G154 R155 L214 G215 M218 M222 I226 | V153-V191 HydrophobicContact CG1-CG1 3.74Å; G154-V191 CarbonylContact O-C 3.56Å; G154-V191 WeakPolarHBondContact O-CA 3.09Å; R155-V191 HydrophobicContact CG-CG2 4.34Å; V191-L214 HydrophobicContact CB-CB 4.2Å; V191-L214 HydrophobicContact CG1-CB 4.32Å; V191-L214 HydrophobicContact CG1-CD1 3.89Å; V191-L214 HydrophobicContact CG1-CG 4.48Å; V191-L214 PolarHBondContact O-N 3.18Å; V191-G215 PolarHBondContact N-O 3.37Å; V191-G215 PolarHBondContact O-N 3.21Å; V191-M218 HydrophobicContact CG2-CE 3.33Å; V191-M218 HydrophobicContact CG2-SD 3.86Å; V191-M222 HydrophobicContact CB-CE 4.42Å; V191-M222 HydrophobicContact CB-SD 3.88Å; V191-M222 HydrophobicContact CG1-SD 4Å; V191-M222 HydrophobicContact CG2-CE 4.48Å; V191-M222 HydrophobicContact CG2-CG 4.38Å; V191-M222 HydrophobicContact CG2-SD 3.96Å; V191-I226 HydrophobicContact CG1-CD1 4.14Å; V191-I226 HydrophobicContact CG1-CG1 4.01Å |
| 192 | V | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.5 | -174.5 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | V153 G154 V165 A186 F190 V194 I210 E212 V213 | V153-V192 WeakPolarHBondContact CA-O 3.36Å; G154-V192 PolarHBondContact N-O 3.42Å; G154-V192 PolarHBondContact O-N 3.09Å; V165-V192 HydrophobicContact CB-CG2 4.48Å; V165-V192 HydrophobicContact CG1-CG2 4.04Å; V165-V192 HydrophobicContact CG2-CG2 3.56Å; A186-V192 HydrophobicContact CB-CG1 3.82Å; F190-V192 HydrophobicContact CB-CG1 4.32Å; V192-V194 HydrophobicContact CG2-CG2 4.19Å; V192-I210 HydrophobicContact CB-CD1 4.08Å; V192-I210 HydrophobicContact CB-CG1 4.25Å; V192-I210 HydrophobicContact CB-CG2 4.03Å; V192-I210 HydrophobicContact CG1-CD1 4.02Å; V192-I210 HydrophobicContact CG1-CG2 4.33Å; V192-I210 HydrophobicContact CG2-CD1 3.97Å; V192-I210 HydrophobicContact CG2-CG1 4.18Å; V192-E212 WeakPolarHBondContact CA-O 3.37Å; V192-V213 HydrophobicContact CG1-CG1 4.4Å; V192-V213 HydrophobicContact CG1-CG2 4.27Å |
| 193 | V | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.8 | 176.5 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | Q151 I210 V211 E212 L214 | Q151-V193 HydrophobicContact CB-CG1 3.53Å; Q151-V193 HydrophobicContact CG-CG1 3.83Å; V193-I210 CarbonylContact O-C 3.41Å; V193-I210 WeakPolarHBondContact O-CA 3.43Å; V193-V211 HydrophobicContact CB-CG2 4.22Å; V193-V211 HydrophobicContact CG1-CG2 4Å; V193-V211 WeakPolarHBondContact O-CG2 3.34Å; V193-V211 PolarHBondContact O-N 2.83Å; V193-E212 HydrophobicContact CB-CB 3.85Å; V193-E212 HydrophobicContact CG2-CB 3.84Å; V193-E212 HydrophobicContact CG2-CG 4.43Å; V193-E212 PolarHBondContact N-O 3.17Å; V193-L214 HydrophobicContact CG2-CD1 4.2Å; V193-L214 HydrophobicContact CG2-CD2 4.34Å; V193-L214 HydrophobicContact CG2-CG 4.18Å |
| 194 | V | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133 | -171.7 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | Q151 I152 V165 I176 I178 V192 K209 I210 | Q151-V194 CarbonylContact C-O 3.47Å; Q151-V194 WeakPolarHBondContact CA-O 3.3Å; I152-V194 PolarHBondContact N-O 3.25Å; I152-V194 PolarHBondContact O-N 3.45Å; V165-V194 HydrophobicContact CB-CG2 3.97Å; V165-V194 HydrophobicContact CG1-CG2 3.84Å; V165-V194 HydrophobicContact CG2-CG2 3.75Å; I176-V194 HydrophobicContact CD1-CG1 4.2Å; I176-V194 HydrophobicContact CG2-CG1 3.98Å; I178-V194 HydrophobicContact CD1-CG1 3.92Å; I178-V194 HydrophobicContact CD1-CG2 4.28Å; V192-V194 HydrophobicContact CG2-CG2 4.19Å; V194-K209 WeakPolarHBondContact CA-O 3.47Å; V194-I210 HydrophobicContact CG2-CG1 4.26Å |
| 195 | E | 96.7 | Very high | 95.1 | Very high | 76 Ų | 76 | 66.9 Ų | 66.9 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.9 | 164.3 | -174 | -169.8 | 133.7 | 0 | 0 | 108.6 | T197 G208 K209 V211 | E195-T197 PolarHBondContact O-N 3.46Å; E195-G208 CarbonylContact O-C 3.57Å; E195-G208 WeakPolarHBondContact O-CA 3.39Å; E195-K209 HydrophobicContact CB-CG 4.15Å; E195-K209 PolarHBondContact N-O 3.3Å; E195-K209 PolarHBondContact O-N 3.41Å; E195-K209 WeakPolarHBondContact OE1-CE 3.36Å; E195-K209 IonicContact OE1-NZ 3.27Å; E195-K209 PolarHBondContact OE1-NZ 3.38Å; E195-K209 WeakPolarHBondContact OE2-CE 3.4Å; E195-K209 IonicContact OE2-NZ 2.6Å; E195-K209 PolarHBondContact OE2-NZ 3.42Å; E195-V211 HydrophobicContact CB-CG1 3.79Å |
| 196 | L | 96 | Very high | 95.2 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126.7 | 177.2 | -74.6 | -179.9 | 0 | 0 | 0 | 111 | I119 I152 I176 A206 | I119-L196 HydrophobicContact CD1-CD1 3.6Å; I152-L196 HydrophobicContact CD1-CD1 3.73Å; I152-L196 HydrophobicContact CD1-CD2 4.26Å; I152-L196 HydrophobicContact CD1-CG 3.79Å; I176-L196 HydrophobicContact CD1-CD2 3.91Å; I176-L196 HydrophobicContact CG1-CD2 4.08Å; I176-L196 HydrophobicContact CG2-CD2 3.73Å; L196-A206 HydrophobicContact CD2-CB 4.01Å |
| 197 | T | 95.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 65 Ų | 65 | 47% | 0.466 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -28.1 | 172.2 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | E195 V207 K209 | E195-T197 PolarHBondContact O-N 3.46Å; T197-V207 PolarHBondContact N-O 3.27Å; T197-V207 PolarHBondContact OG1-O 3.16Å; T197-V207 VanDerWaalsContact OG1-O 3.13Å; T197-K209 HydrophobicContact CG2-CB 4.36Å; T197-K209 HydrophobicContact CG2-CD 4.15Å; T197-K209 HydrophobicContact CG2-CG 3.98Å |
| 198 | Q | 94.8 | Very high | 95.3 | Very high | 114 Ų | 114 | 56.8 Ų | 56.8 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.6 | 172.5 | -54.4 | -177.4 | 8 | 0 | 0 | 110.6 | A206 V207 | Q198-A206 WeakPolarHBondContact O-CA 3.28Å; Q198-V207 HydrophobicContact CB-CB 3.92Å; Q198-V207 HydrophobicContact CB-CG2 4.17Å; Q198-V207 HydrophobicContact CG-CB 4.18Å; Q198-V207 HydrophobicContact CG-CG2 4.47Å; Q198-V207 PolarHBondContact N-O 2.98Å; Q198-V207 PolarHBondContact O-N 2.68Å |
| 199 | R | 94.2 | Very high | 95.3 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | trans | -75.6 | 152.7 | 176.5 | -68.1 | 178.8 | 55.7 | 100.1 | -0.9 | 111 | T117 I119 D122 | T117-R199 PolarHBondContact O-NH2 3.48Å; I119-R199 HydrophobicContact CD1-CB 4.4Å; I119-R199 HydrophobicContact CD1-CG 4.1Å; D122-R199 VanDerWaalsContact CG-NH2 3.35Å; D122-R199 IonicContact OD1-CZ 2.93Å; D122-R199 IonicContact OD1-NH1 3.53Å; D122-R199 PolarHBondContact OD1-NH1 2.96Å; D122-R199 IonicContact OD1-NH2 3.79Å; D122-R199 PolarHBondContact OD1-NH2 3.44Å; D122-R199 IonicContact OD2-CZ 3.21Å; D122-R199 IonicContact OD2-NH1 2.94Å; D122-R199 IonicContact OD2-NH2 3.69Å; D122-R199 PolarHBondContact OD2-NH2 2.88Å | ||
| 200 | P | 93.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | trans | -62.7 | 144.8 | 173.8 | 28.5 | -32.2 | 0 | 0 | 0 | 110.1 | K116 I119 F174 A206 | K116-P200 CarbonylContact O-C 3.45Å; I119-P200 HydrophobicContact CD1-CG 4.28Å; I119-P200 HydrophobicContact CG1-CG 4.15Å; F174-P200 HydrophobicContact CD1-CG 4.23Å; F174-P200 HydrophobicContact CD2-CG 4.41Å; F174-P200 HydrophobicContact CE1-CG 4.19Å; F174-P200 HydrophobicContact CE2-CG 4.37Å; F174-P200 HydrophobicContact CG-CG 4.35Å; F174-P200 HydrophobicContact CZ-CG 4.26Å; P200-A206 HydrophobicContact CB-CB 4.24Å; P200-A206 HydrophobicContact CG-CB 4.4Å | ||
| 201 | T | 92.4 | Very high | 95.5 | Very high | 67 Ų | 67 | 54 Ų | 54 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | trans | -124.9 | 177.6 | 171.7 | 78.9 | 0 | 0 | 0 | 0 | 109.5 | K116 R203 T204 | K116-T201 CarbonylContact O-C 3.6Å; T201-R203 PolarHBondContact O-N 3.01Å; T201-R203 PolarHBondContact OG1-N 3.42Å; T201-T204 WeakPolarHBondContact CG2-OG1 3.19Å; T201-T204 PolarHBondContact N-O 3.35Å; T201-T204 VanDerWaalsContact O-O 3.13Å; T201-T204 PolarHBondContact OG1-N 2.89Å; T201-T204 VanDerWaalsContact OG1-N 3.09Å; T201-T204 PolarHBondContact OG1-OG1 2.94Å | ||
| 202 | R | 90.5 | Very high | 95.4 | Very high | 147 Ų | 147 | 57 Ų | 57 | 56% | 0.555 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -58.3 | -23.1 | 174.7 | -63 | -175.6 | -178.3 | -161.9 | 4.5 | 114.3 | E113 K116 T117 | E113-R202 VanDerWaalsContact OE1-CD 3.27Å; E113-R202 WeakPolarHBondContact OE1-CD 3.41Å; E113-R202 IonicContact OE1-CZ 2.93Å; E113-R202 IonicContact OE1-NE 3.77Å; E113-R202 PolarHBondContact OE1-NE 3.22Å; E113-R202 VanDerWaalsContact OE1-NE 3.16Å; E113-R202 IonicContact OE1-NH1 2.64Å; E113-R202 PolarHBondContact OE1-NH1 2.99Å; E113-R202 IonicContact OE1-NH2 3.24Å; K116-R202 HydrophobicContact CB-CG 4.19Å; K116-R202 HydrophobicContact CD-CB 4.49Å; K116-R202 HydrophobicContact CD-CG 4.28Å; T117-R202 HydrophobicContact CG2-CG 4.22Å |
| 203 | R | 92.1 | Very high | 95.4 | Very high | 244 Ų | 244 | 59.4 Ų | 59.4 | 92% | 0.921 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -120 | -13 | -174.3 | -63 | -170.7 | -179.6 | -170 | 0.4 | 113.9 | T201 | T201-R203 PolarHBondContact O-N 3.01Å; T201-R203 PolarHBondContact OG1-N 3.42Å |
| 204 | T | 92.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 44% | 0.436 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -130.3 | 136.9 | -174.9 | 59.9 | 0 | 0 | 0 | 0 | 110.3 | T201 | T201-T204 WeakPolarHBondContact CG2-OG1 3.19Å; T201-T204 PolarHBondContact N-O 3.35Å; T201-T204 VanDerWaalsContact O-O 3.13Å; T201-T204 PolarHBondContact OG1-N 2.89Å; T201-T204 VanDerWaalsContact OG1-N 3.09Å; T201-T204 PolarHBondContact OG1-OG1 2.94Å |
| 205 | K | 93.3 | Very high | 95.1 | Very high | 103 Ų | 103 | 61.8 Ų | 61.8 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | trans | -64.9 | 164.2 | 169.2 | -69.6 | -167.6 | 175.3 | -166.3 | 0 | 110.2 | D175 L177 | D175-K205 IonicContact OD2-NZ 2.85Å; D175-K205 PolarHBondContact OD2-NZ 3.5Å; L177-K205 HydrophobicContact CD1-CB 4.03Å; L177-K205 HydrophobicContact CD1-CD 4.41Å; L177-K205 HydrophobicContact CD2-CD 4.06Å; L177-K205 HydrophobicContact CG-CB 4.03Å; L177-K205 HydrophobicContact CG-CD 4.21Å | ||
| 206 | A | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 149.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F174 I176 L177 L196 Q198 P200 | F174-A206 HydrophobicContact CD2-CB 3.73Å; F174-A206 HydrophobicContact CE2-CB 3.76Å; I176-A206 HydrophobicContact CB-CB 4.48Å; I176-A206 HydrophobicContact CG1-CB 4.18Å; I176-A206 HydrophobicContact CG2-CB 4.31Å; L177-A206 PolarHBondContact N-O 3.15Å; L196-A206 HydrophobicContact CD2-CB 4.01Å; Q198-A206 WeakPolarHBondContact O-CA 3.28Å; P200-A206 HydrophobicContact CB-CB 4.24Å; P200-A206 HydrophobicContact CG-CB 4.4Å |
| 207 | V | 97.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 68 Ų | 68 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.7 | 172.8 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | L177 P179 T197 Q198 | L177-V207 WeakPolarHBondContact O-CA 3.39Å; P179-V207 HydrophobicContact CG-CG1 4Å; T197-V207 PolarHBondContact N-O 3.27Å; T197-V207 PolarHBondContact OG1-O 3.16Å; T197-V207 VanDerWaalsContact OG1-O 3.13Å; Q198-V207 HydrophobicContact CB-CB 3.92Å; Q198-V207 HydrophobicContact CB-CG2 4.17Å; Q198-V207 HydrophobicContact CG-CB 4.18Å; Q198-V207 HydrophobicContact CG-CG2 4.47Å; Q198-V207 PolarHBondContact N-O 2.98Å; Q198-V207 PolarHBondContact O-N 2.68Å |
| 208 | G | 97.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 176.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L177 P179 E195 | L177-G208 PolarHBondContact O-N 3.44Å; P179-G208 VanDerWaalsContact CD-O 3.25Å; P179-G208 WeakPolarHBondContact CD-O 3.43Å; E195-G208 CarbonylContact O-C 3.57Å; E195-G208 WeakPolarHBondContact O-CA 3.39Å |
| 209 | K | 97.5 | Very high | 94 | Very high | 57 Ų | 57 | 63 Ų | 63 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139.8 | 168.3 | 59.2 | -179 | 178.4 | 178.2 | 0 | 108.4 | Q182 V194 E195 T197 V211 | Q182-K209 HydrophobicContact CB-CB 3.76Å; Q182-K209 HydrophobicContact CG-CB 4.09Å; V194-K209 WeakPolarHBondContact CA-O 3.47Å; E195-K209 HydrophobicContact CB-CG 4.15Å; E195-K209 PolarHBondContact N-O 3.3Å; E195-K209 PolarHBondContact O-N 3.41Å; E195-K209 WeakPolarHBondContact OE1-CE 3.36Å; E195-K209 IonicContact OE1-NZ 3.27Å; E195-K209 PolarHBondContact OE1-NZ 3.38Å; E195-K209 WeakPolarHBondContact OE2-CE 3.4Å; E195-K209 IonicContact OE2-NZ 2.6Å; E195-K209 PolarHBondContact OE2-NZ 3.42Å; T197-K209 HydrophobicContact CG2-CB 4.36Å; T197-K209 HydrophobicContact CG2-CD 4.15Å; T197-K209 HydrophobicContact CG2-CG 3.98Å; K209-V211 HydrophobicContact CD-CG1 4.47Å; K209-V211 HydrophobicContact CG-CG1 4.18Å |
| 210 | I | 98.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 132.4 | 171 | -65.8 | 173.6 | 0 | 0 | 0 | 107 | Y156 V165 I178 Q182 M184 A186 V192 V193 V194 E212 V213 | Y156-I210 HydrophobicContact CD2-CD1 3.88Å; Y156-I210 HydrophobicContact CE2-CD1 4.41Å; Y156-I210 HydrophobicContact CG-CD1 4.41Å; V165-I210 HydrophobicContact CG2-CD1 4.42Å; I178-I210 HydrophobicContact CD1-CG1 4.37Å; I178-I210 HydrophobicContact CG1-CG1 4.4Å; I178-I210 HydrophobicContact CG2-CD1 4.3Å; I178-I210 HydrophobicContact CG2-CG1 4.21Å; Q182-I210 PolarHBondContact O-N 3.16Å; M184-I210 HydrophobicContact CB-CB 4.33Å; M184-I210 HydrophobicContact CB-CG2 3.94Å; M184-I210 HydrophobicContact CG-CG2 4.39Å; M184-I210 WeakPolarHBondContact CG-O 3.31Å; M184-I210 VanDerWaalsContact SD-C 3.58Å; M184-I210 HydrophobicContact SD-CG2 4.38Å; A186-I210 HydrophobicContact CB-CD1 3.71Å; V192-I210 HydrophobicContact CB-CD1 4.08Å; V192-I210 HydrophobicContact CB-CG1 4.25Å; V192-I210 HydrophobicContact CB-CG2 4.03Å; V192-I210 HydrophobicContact CG1-CD1 4.02Å; V192-I210 HydrophobicContact CG1-CG2 4.33Å; V192-I210 HydrophobicContact CG2-CD1 3.97Å; V192-I210 HydrophobicContact CG2-CG1 4.18Å; V193-I210 CarbonylContact O-C 3.41Å; V193-I210 WeakPolarHBondContact O-CA 3.43Å; V194-I210 HydrophobicContact CG2-CG1 4.26Å; I210-E212 WeakPolarHBondContact CG2-O 3.41Å; I210-V213 HydrophobicContact CG2-CG2 3.9Å |
| 211 | V | 96.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | -15.6 | 178.6 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | Q151 M184 V193 E195 K209 | Q151-V211 HydrophobicContact CG-CG2 4.37Å; M184-V211 WeakPolarHBondContact SD-CA 3.5Å; M184-V211 VanDerWaalsContact SD-O 3.41Å; V193-V211 HydrophobicContact CB-CG2 4.22Å; V193-V211 HydrophobicContact CG1-CG2 4Å; V193-V211 WeakPolarHBondContact O-CG2 3.34Å; V193-V211 PolarHBondContact O-N 2.83Å; E195-V211 HydrophobicContact CB-CG1 3.79Å; K209-V211 HydrophobicContact CD-CG1 4.47Å; K209-V211 HydrophobicContact CG-CG1 4.18Å |
| 212 | E | 96.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 143.3 | 176.1 | -167.5 | 179.8 | -165.7 | 0 | 0 | 110 | V192 V193 I210 L214 R229 | V192-E212 WeakPolarHBondContact CA-O 3.37Å; V193-E212 HydrophobicContact CB-CB 3.85Å; V193-E212 HydrophobicContact CG2-CB 3.84Å; V193-E212 HydrophobicContact CG2-CG 4.43Å; V193-E212 PolarHBondContact N-O 3.17Å; I210-E212 WeakPolarHBondContact CG2-O 3.41Å; E212-L214 HydrophobicContact CG-CD2 4Å; E212-R229 VanDerWaalsContact CD-NH2 3.27Å; E212-R229 IonicContact OE1-CZ 2.73Å; E212-R229 IonicContact OE1-NE 3.13Å; E212-R229 IonicContact OE1-NH2 3.54Å; E212-R229 PolarHBondContact OE1-NH2 2.99Å; E212-R229 IonicContact OE2-CZ 3.87Å; E212-R229 IonicContact OE2-NE 3.8Å; E212-R229 PolarHBondContact OE2-NE 3.46Å; E212-R229 IonicContact OE2-NH2 2.69Å; E212-R229 PolarHBondContact OE2-NH2 2.88Å; E212-R229 VanDerWaalsContact OE2-NH2 3.09Å |
| 213 | V | 97.2 | Very high | 94 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.8 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | M184 A186 F190 V192 I210 | M184-V213 HydrophobicContact CB-CG2 4.06Å; A186-V213 HydrophobicContact CB-CG2 4.28Å; F190-V213 HydrophobicContact CD2-CG1 3.67Å; F190-V213 HydrophobicContact CE2-CG1 4.34Å; V192-V213 HydrophobicContact CG1-CG1 4.4Å; V192-V213 HydrophobicContact CG1-CG2 4.27Å; I210-V213 HydrophobicContact CG2-CG2 3.9Å |
| 214 | L | 95.3 | Very high | 94.1 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -28.3 | -178.7 | -54.7 | -177.7 | 0 | 0 | 0 | 111.8 | V191 V193 E212 M222 D225 | V191-L214 HydrophobicContact CB-CB 4.2Å; V191-L214 HydrophobicContact CG1-CB 4.32Å; V191-L214 HydrophobicContact CG1-CD1 3.89Å; V191-L214 HydrophobicContact CG1-CG 4.48Å; V191-L214 PolarHBondContact O-N 3.18Å; V193-L214 HydrophobicContact CG2-CD1 4.2Å; V193-L214 HydrophobicContact CG2-CD2 4.34Å; V193-L214 HydrophobicContact CG2-CG 4.18Å; E212-L214 HydrophobicContact CG-CD2 4Å; L214-M222 HydrophobicContact CB-CE 3.78Å; L214-M222 HydrophobicContact CB-SD 3.73Å; L214-M222 HydrophobicContact CD1-SD 4.07Å; L214-M222 WeakPolarHBondContact O-CE 3.13Å; L214-D225 HydrophobicContact CD1-CB 4.27Å |
| 215 | G | 94.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 40 Ų | 40 | 12% | 0.124 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 104.8 | -159.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V191 | V191-G215 PolarHBondContact N-O 3.37Å; V191-G215 PolarHBondContact O-N 3.21Å |
| 216 | D | 92.2 | Very high | 94.3 | Very high | 106 Ų | 106 | 36.1 Ų | 36.1 | 57% | 0.567 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -119.7 | 1.6 | -174.2 | 60.2 | -13 | 0 | 0 | 0 | 114.4 | F190 M218 | F190-D216 HydrophobicContact CD1-CB 3.71Å; F190-D216 HydrophobicContact CE1-CB 3.71Å; D216-M218 VanDerWaalsContact C-N 3.33Å; D216-M218 PolarHBondContact O-N 3.1Å |
| 217 | N | 89.6 | Confident | 94.2 | Very high | 129 Ų | 129 | 36.2 Ų | 36.2 | 69% | 0.69 | 21% | 0.207 | S | C | * | . | trans | -75.5 | 84.9 | 177.8 | -171.7 | 9.1 | 0 | 0 | 0 | 110.8 | G219 M222 | N217-G219 PolarHBondContact O-N 3.34Å; N217-G219 VanDerWaalsContact O-N 3.1Å; N217-M222 WeakPolarHBondContact O-CB 3.27Å | ||
| 218 | M | 88.7 | Confident | 94.2 | Very high | 70 Ų | 70 | 35.2 Ų | 35.2 | 35% | 0.345 | 20% | 0.201 | S | C | . | . | trans | -72.4 | 99.3 | 178.5 | -60.1 | -62.3 | -172.9 | 0 | 0 | 110.5 | V191 D216 M222 R443 | V191-M218 HydrophobicContact CG2-CE 3.33Å; V191-M218 HydrophobicContact CG2-SD 3.86Å; D216-M218 VanDerWaalsContact C-N 3.33Å; D216-M218 PolarHBondContact O-N 3.1Å; M218-M222 HydrophobicContact SD-CG 4.08Å; M218-R443 PolarHBondContact O-NH2 3.29Å | ||
| 219 | G | 89.2 | Confident | 94 | Very high | 14 Ų | 14 | 36 Ų | 36 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -146.4 | -176.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N217 G221 M222 A223 | N217-G219 PolarHBondContact O-N 3.34Å; N217-G219 VanDerWaalsContact O-N 3.1Å; G219-G221 VanDerWaalsContact C-N 3.27Å; G219-G221 PolarHBondContact O-N 3.25Å; G219-M222 WeakPolarHBondContact O-CB 3.41Å; G219-M222 PolarHBondContact O-N 3.07Å; G219-A223 PolarHBondContact O-N 2.88Å |
| 220 | T | 90.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.9 | -41 | -179.2 | -47.7 | 0 | 0 | 0 | 0 | 112.3 | M222 A223 V224 R442 L634 | T220-M222 PolarHBondContact O-N 3.46Å; T220-A223 WeakPolarHBondContact O-CB 3.32Å; T220-A223 PolarHBondContact O-N 3.38Å; T220-V224 WeakPolarHBondContact O-CG2 3.07Å; T220-V224 PolarHBondContact O-N 3.33Å; T220-R442 WeakPolarHBondContact CB-O 3.43Å; T220-R442 HydrophobicContact CG2-CB 4.45Å; T220-R442 PolarHBondContact OG1-O 2.89Å; T220-L634 HydrophobicContact CG2-CD1 4.24Å; T220-L634 HydrophobicContact CG2-CD2 3.97Å; T220-L634 HydrophobicContact CG2-CG 4.37Å; T220-L634 WeakPolarHBondContact OG1-CD2 3.37Å |
| 221 | G | 91.7 | Very high | 93.5 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 35% | 0.351 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | G219 V224 D225 | G219-G221 VanDerWaalsContact C-N 3.27Å; G219-G221 PolarHBondContact O-N 3.25Å; G221-V224 PolarHBondContact O-N 3.19Å; G221-D225 PolarHBondContact O-N 3.16Å |
| 222 | M | 93 | Very high | 93.4 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 174.8 | -178.4 | 64.5 | 68.3 | 0 | 0 | 111.3 | V191 L214 N217 M218 G219 T220 V224 D225 I226 | V191-M222 HydrophobicContact CB-CE 4.42Å; V191-M222 HydrophobicContact CB-SD 3.88Å; V191-M222 HydrophobicContact CG1-SD 4Å; V191-M222 HydrophobicContact CG2-CE 4.48Å; V191-M222 HydrophobicContact CG2-CG 4.38Å; V191-M222 HydrophobicContact CG2-SD 3.96Å; L214-M222 HydrophobicContact CB-CE 3.78Å; L214-M222 HydrophobicContact CB-SD 3.73Å; L214-M222 HydrophobicContact CD1-SD 4.07Å; L214-M222 WeakPolarHBondContact O-CE 3.13Å; N217-M222 WeakPolarHBondContact O-CB 3.27Å; M218-M222 HydrophobicContact SD-CG 4.08Å; G219-M222 WeakPolarHBondContact O-CB 3.41Å; G219-M222 PolarHBondContact O-N 3.07Å; T220-M222 PolarHBondContact O-N 3.46Å; M222-V224 VanDerWaalsContact C-N 3.34Å; M222-V224 PolarHBondContact O-N 3.45Å; M222-D225 PolarHBondContact O-N 2.75Å; M222-I226 HydrophobicContact CG-CD1 3.91Å; M222-I226 HydrophobicContact CG-CG1 4.36Å; M222-I226 WeakPolarHBondContact O-CB 3.5Å; M222-I226 WeakPolarHBondContact O-CG1 3.23Å; M222-I226 PolarHBondContact O-N 3.12Å; M222-I226 HydrophobicContact SD-CD1 4.34Å; M222-I226 HydrophobicContact SD-CG1 4.31Å |
| 223 | A | 94 | Very high | 93.4 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G219 T220 A227 V630 W633 | G219-A223 PolarHBondContact O-N 2.88Å; T220-A223 WeakPolarHBondContact O-CB 3.32Å; T220-A223 PolarHBondContact O-N 3.38Å; A223-A227 WeakPolarHBondContact O-CB 3.33Å; A223-A227 PolarHBondContact O-N 3.4Å; A223-V630 HydrophobicContact CB-CG1 4.43Å; A223-V630 HydrophobicContact CB-CG2 4.5Å; A223-W633 HydrophobicContact CB-CB 4.29Å; A223-W633 HydrophobicContact CB-CD2 3.77Å; A223-W633 HydrophobicContact CB-CE3 3.88Å; A223-W633 HydrophobicContact CB-CG 3.92Å |
| 224 | V | 94.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 172.7 | 178.2 | 0 | 0 | 0 | 0 | 111 | T220 G221 M222 I226 A227 L228 F325 V630 | T220-V224 WeakPolarHBondContact O-CG2 3.07Å; T220-V224 PolarHBondContact O-N 3.33Å; G221-V224 PolarHBondContact O-N 3.19Å; M222-V224 VanDerWaalsContact C-N 3.34Å; M222-V224 PolarHBondContact O-N 3.45Å; V224-I226 VanDerWaalsContact C-N 3.32Å; V224-I226 PolarHBondContact O-N 2.94Å; V224-A227 PolarHBondContact O-N 3.36Å; V224-L228 HydrophobicContact CG1-CD1 3.86Å; V224-L228 HydrophobicContact CG1-CG 4.11Å; V224-L228 WeakPolarHBondContact O-CB 3.42Å; V224-L228 VanDerWaalsContact O-CG 3.28Å; V224-L228 WeakPolarHBondContact O-CG 3.32Å; V224-L228 PolarHBondContact O-N 3.07Å; V224-F325 HydrophobicContact CG1-CD1 4.4Å; V224-F325 HydrophobicContact CG1-CD2 3.99Å; V224-F325 HydrophobicContact CG1-CE2 4.17Å; V224-F325 HydrophobicContact CG1-CG 4.11Å; V224-F325 HydrophobicContact CG1-CZ 4.43Å; V224-F325 HydrophobicContact CG2-CB 4.13Å; V224-F325 HydrophobicContact CG2-CD1 4.22Å; V224-F325 HydrophobicContact CG2-CG 4.15Å; V224-V630 HydrophobicContact CG2-CG1 4.08Å; V224-V630 HydrophobicContact CG2-CG2 4.25Å |
| 225 | D | 94.3 | Very high | 93.4 | Very high | 57 Ų | 57 | 35.8 Ų | 35.8 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 179.9 | -88.3 | -42 | 0 | 0 | 0 | 113.3 | L214 G221 M222 R229 | L214-D225 HydrophobicContact CD1-CB 4.27Å; G221-D225 PolarHBondContact O-N 3.16Å; M222-D225 PolarHBondContact O-N 2.75Å; D225-R229 PolarHBondContact O-N 3.25Å; D225-R229 PolarHBondContact O-NH1 2.64Å; D225-R229 IonicContact OD1-CZ 2.74Å; D225-R229 IonicContact OD1-NH1 2.62Å; D225-R229 PolarHBondContact OD1-NH1 3.32Å; D225-R229 IonicContact OD1-NH2 3.53Å |
| 226 | I | 94.6 | Very high | 93.5 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -52.1 | 173.3 | -67.2 | 168.8 | 0 | 0 | 0 | 109.5 | V153 D168 V191 M222 V224 L228 R229 T230 | V153-I226 HydrophobicContact CB-CG2 4.47Å; V153-I226 HydrophobicContact CG1-CB 4.31Å; V153-I226 HydrophobicContact CG1-CG1 3.9Å; V153-I226 HydrophobicContact CG1-CG2 4.04Å; D168-I226 HydrophobicContact CB-CG2 4.44Å; D168-I226 WeakPolarHBondContact OD2-CG2 3.5Å; V191-I226 HydrophobicContact CG1-CD1 4.14Å; V191-I226 HydrophobicContact CG1-CG1 4.01Å; M222-I226 HydrophobicContact CG-CD1 3.91Å; M222-I226 HydrophobicContact CG-CG1 4.36Å; M222-I226 WeakPolarHBondContact O-CB 3.5Å; M222-I226 WeakPolarHBondContact O-CG1 3.23Å; M222-I226 PolarHBondContact O-N 3.12Å; M222-I226 HydrophobicContact SD-CD1 4.34Å; M222-I226 HydrophobicContact SD-CG1 4.31Å; V224-I226 VanDerWaalsContact C-N 3.32Å; V224-I226 PolarHBondContact O-N 2.94Å; I226-L228 PolarHBondContact O-N 3.14Å; I226-R229 PolarHBondContact O-N 2.91Å; I226-T230 WeakPolarHBondContact O-CB 3.48Å; I226-T230 PolarHBondContact O-N 3.34Å; I226-T230 PolarHBondContact O-OG1 2.97Å; I226-T230 VanDerWaalsContact O-OG1 3.04Å |
| 227 | A | 95 | Very high | 93.8 | Very high | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A223 V224 R229 T230 H231 F325 A626 V630 | A223-A227 WeakPolarHBondContact O-CB 3.33Å; A223-A227 PolarHBondContact O-N 3.4Å; V224-A227 PolarHBondContact O-N 3.36Å; A227-R229 VanDerWaalsContact C-N 3.31Å; A227-R229 PolarHBondContact O-N 3.45Å; A227-T230 PolarHBondContact O-N 2.83Å; A227-H231 WeakPolarHBondContact O-CB 3.24Å; A227-H231 PolarHBondContact O-CD2 3.32Å; A227-H231 VanDerWaalsContact O-CD2 3.29Å; A227-H231 PolarHBondContact O-N 3.19Å; A227-F325 HydrophobicContact CB-CE1 4.05Å; A227-F325 HydrophobicContact CB-CZ 4.48Å; A227-A626 HydrophobicContact CB-CB 4.39Å; A227-V630 HydrophobicContact CB-CG2 3.72Å |
| 228 | L | 95.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.6 | -44.1 | 178.2 | -74.4 | 175.1 | 0 | 0 | 0 | 112.7 | V224 I226 E232 I233 Y235 F325 I330 | V224-L228 HydrophobicContact CG1-CD1 3.86Å; V224-L228 HydrophobicContact CG1-CG 4.11Å; V224-L228 WeakPolarHBondContact O-CB 3.42Å; V224-L228 VanDerWaalsContact O-CG 3.28Å; V224-L228 WeakPolarHBondContact O-CG 3.32Å; V224-L228 PolarHBondContact O-N 3.07Å; I226-L228 PolarHBondContact O-N 3.14Å; L228-E232 PolarHBondContact O-N 3.46Å; L228-E232 VanDerWaalsContact O-N 3.14Å; L228-I233 HydrophobicContact CD2-CB 3.77Å; L228-I233 HydrophobicContact CD2-CD1 4.42Å; L228-I233 HydrophobicContact CD2-CG2 3.62Å; L228-I233 PolarHBondContact O-N 3.42Å; L228-Y235 HydrophobicContact CB-CD1 4.08Å; L228-Y235 HydrophobicContact CB-CE1 4.33Å; L228-Y235 HydrophobicContact CD1-CD1 4.07Å; L228-Y235 HydrophobicContact CD1-CD2 4.45Å; L228-Y235 HydrophobicContact CD1-CG 3.98Å; L228-Y235 HydrophobicContact CG-CD1 4.47Å; L228-F325 HydrophobicContact CD2-CE2 3.63Å; L228-F325 HydrophobicContact CD2-CZ 3.83Å; L228-F325 HydrophobicContact CG-CE2 4.24Å; L228-F325 HydrophobicContact CG-CZ 4.23Å; L228-I330 HydrophobicContact CD1-CD1 4.37Å; L228-I330 HydrophobicContact CD2-CG1 4.05Å |
| 229 | R | 94.1 | Very high | 94.6 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -79.1 | -41.5 | -177.6 | -70 | 169.4 | 179.8 | 75.6 | -4.3 | 111.9 | V153 E212 D225 I226 A227 H231 E232 Y235 | V153-R229 HydrophobicContact CG2-CB 3.48Å; V153-R229 VanDerWaalsContact CG2-CB 3.48Å; E212-R229 VanDerWaalsContact CD-NH2 3.27Å; E212-R229 IonicContact OE1-CZ 2.73Å; E212-R229 IonicContact OE1-NE 3.13Å; E212-R229 IonicContact OE1-NH2 3.54Å; E212-R229 PolarHBondContact OE1-NH2 2.99Å; E212-R229 IonicContact OE2-CZ 3.87Å; E212-R229 IonicContact OE2-NE 3.8Å; E212-R229 PolarHBondContact OE2-NE 3.46Å; E212-R229 IonicContact OE2-NH2 2.69Å; E212-R229 PolarHBondContact OE2-NH2 2.88Å; E212-R229 VanDerWaalsContact OE2-NH2 3.09Å; D225-R229 PolarHBondContact O-N 3.25Å; D225-R229 PolarHBondContact O-NH1 2.64Å; D225-R229 IonicContact OD1-CZ 2.74Å; D225-R229 IonicContact OD1-NH1 2.62Å; D225-R229 PolarHBondContact OD1-NH1 3.32Å; D225-R229 IonicContact OD1-NH2 3.53Å; I226-R229 PolarHBondContact O-N 2.91Å; A227-R229 VanDerWaalsContact C-N 3.31Å; A227-R229 PolarHBondContact O-N 3.45Å; R229-H231 VanDerWaalsContact C-N 3.32Å; R229-H231 PolarHBondContact O-N 3.47Å; R229-E232 PolarHBondContact O-N 3.45Å; R229-Y235 PolarHBondContact NH2-OH 3.3Å; R229-Y235 VanDerWaalsContact NH2-OH 3.08Å |
| 230 | T | 92.9 | Very high | 95 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 177 | -67 | 0 | 0 | 0 | 0 | 111.7 | I226 A227 | I226-T230 WeakPolarHBondContact O-CB 3.48Å; I226-T230 PolarHBondContact O-N 3.34Å; I226-T230 PolarHBondContact O-OG1 2.97Å; I226-T230 VanDerWaalsContact O-OG1 3.04Å; A227-T230 PolarHBondContact O-N 2.83Å |
| 231 | H | 92.5 | Very high | 95.4 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 11% | 0.106 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -1.4 | -179.1 | -69.5 | -76.2 | 0 | 0 | 0 | 113.9 | A227 R229 I233 R622 A626 D629 | A227-H231 WeakPolarHBondContact O-CB 3.24Å; A227-H231 PolarHBondContact O-CD2 3.32Å; A227-H231 VanDerWaalsContact O-CD2 3.29Å; A227-H231 PolarHBondContact O-N 3.19Å; R229-H231 VanDerWaalsContact C-N 3.32Å; R229-H231 PolarHBondContact O-N 3.47Å; H231-I233 VanDerWaalsContact C-N 3.31Å; H231-I233 HydrophobicContact CB-CD1 4.19Å; H231-I233 HydrophobicContact CB-CG1 4.14Å; H231-I233 PolarHBondContact O-N 3.06Å; H231-R622 HydrophobicContact CB-CG 4.08Å; H231-R622 WeakPolarHBondContact O-CD 3.35Å; H231-R622 WeakPolarHBondContact O-CG 3.19Å; H231-A626 HydrophobicContact CB-CB 4.12Å; H231-D629 IonicContact CD2-OD2 3.25Å; H231-D629 IonicContact CE1-OD2 2.96Å; H231-D629 IonicContact NE2-OD2 3.63Å; H231-D629 PolarHBondContact NE2-OD2 3.06Å |
| 232 | E | 93.8 | Very high | 95.7 | Very high | 98 Ų | 98 | 42.4 Ų | 42.4 | 46% | 0.458 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 44.4 | -177.9 | -54.6 | 179.9 | 85.3 | 0 | 0 | 112.5 | K148 S150 L228 R229 P234 R622 | K148-E232 IonicContact NZ-OE2 2.76Å; K148-E232 PolarHBondContact NZ-OE2 3.11Å; S150-E232 WeakPolarHBondContact CB-OE1 3.34Å; L228-E232 PolarHBondContact O-N 3.46Å; L228-E232 VanDerWaalsContact O-N 3.14Å; R229-E232 PolarHBondContact O-N 3.45Å; E232-P234 WeakPolarHBondContact O-CD 3.49Å; E232-R622 PolarHBondContact O-NH1 2.7Å |
| 233 | I | 96.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | trans | -80.2 | 122.3 | 174.9 | -69.2 | 171.5 | 0 | 0 | 0 | 108.5 | L228 H231 Y235 V323 F325 R622 A626 | L228-I233 HydrophobicContact CD2-CB 3.77Å; L228-I233 HydrophobicContact CD2-CD1 4.42Å; L228-I233 HydrophobicContact CD2-CG2 3.62Å; L228-I233 PolarHBondContact O-N 3.42Å; H231-I233 VanDerWaalsContact C-N 3.31Å; H231-I233 HydrophobicContact CB-CD1 4.19Å; H231-I233 HydrophobicContact CB-CG1 4.14Å; H231-I233 PolarHBondContact O-N 3.06Å; I233-Y235 WeakPolarHBondContact O-CD1 3.41Å; I233-Y235 PolarHBondContact O-N 3.07Å; I233-V323 HydrophobicContact CD1-CG1 4.22Å; I233-V323 HydrophobicContact CD1-CG2 4.29Å; I233-V323 HydrophobicContact CG2-CG2 3.96Å; I233-F325 HydrophobicContact CD1-CZ 4.24Å; I233-R622 HydrophobicContact CD1-CG 4.39Å; I233-R622 HydrophobicContact CG1-CG 3.84Å; I233-A626 HydrophobicContact CD1-CB 3.32Å | ||
| 234 | P | 96.9 | Very high | 96.1 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 16% | 0.156 | 25% | 0.249 | C | C | . | . | trans | -67.9 | 120.7 | 176.3 | -14.1 | 27.7 | 0 | 0 | 0 | 110.6 | E232 N318 R319 | E232-P234 WeakPolarHBondContact O-CD 3.49Å; P234-N318 WeakPolarHBondContact CG-ND2 3.49Å; P234-R319 HydrophobicContact CB-CG 3.92Å; P234-R319 HydrophobicContact CG-CG 4.19Å; P234-R319 PolarHBondContact O-NE 3.06Å | ||
| 235 | Y | 96.5 | Very high | 96.2 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 26% | 0.263 | 25% | 0.254 | S | S | . | . | trans | -123.6 | -26.6 | 178.2 | 64.5 | -84.7 | 0 | 0 | 0 | 112.9 | L228 R229 I233 R319 | L228-Y235 HydrophobicContact CB-CD1 4.08Å; L228-Y235 HydrophobicContact CB-CE1 4.33Å; L228-Y235 HydrophobicContact CD1-CD1 4.07Å; L228-Y235 HydrophobicContact CD1-CD2 4.45Å; L228-Y235 HydrophobicContact CD1-CG 3.98Å; L228-Y235 HydrophobicContact CG-CD1 4.47Å; R229-Y235 PolarHBondContact NH2-OH 3.3Å; R229-Y235 VanDerWaalsContact NH2-OH 3.08Å; I233-Y235 WeakPolarHBondContact O-CD1 3.41Å; I233-Y235 PolarHBondContact O-N 3.07Å; Y235-R319 PolarHBondContact O-NH2 3.39Å | ||
| 236 | I | 96.7 | Very high | 96.2 | Very high | 116 Ų | 116 | 51.9 Ų | 51.9 | 60% | 0.595 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -76.1 | 129.6 | 176.9 | -58.2 | 176.7 | 0 | 0 | 0 | 109.6 | P238 R319 | I236-P238 WeakPolarHBondContact O-CD 3.4Å; I236-R319 PolarHBondContact O-NH2 2.87Å |
| 237 | W | 98.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -75 | 126.6 | 172.6 | -66.7 | 121.5 | 0 | 0 | 0 | 110.9 | V241 E242 E315 R319 P331 P334 | W237-V241 HydrophobicContact CE3-CG1 4.05Å; W237-E242 HydrophobicContact CB-CG 4.23Å; W237-E315 HydrophobicContact CE3-CG 3.96Å; W237-E315 HydrophobicContact CZ3-CG 3.77Å; W237-R319 VanDerWaalsContact CH2-NH1 3.3Å; W237-P331 WeakPolarHBondContact CH2-O 3.48Å; W237-P331 HydrophobicContact CZ2-CG 4.09Å; W237-P334 HydrophobicContact CD2-CG 4.21Å; W237-P334 HydrophobicContact CE3-CG 4.03Å; W237-P334 HydrophobicContact CH2-CG 3.95Å; W237-P334 HydrophobicContact CZ2-CB 4.29Å; W237-P334 HydrophobicContact CZ2-CG 4.09Å; W237-P334 HydrophobicContact CZ3-CG 3.91Å |
| 238 | P | 98 | Very high | 96 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 34% | 0.338 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 142.2 | 171.3 | -21.8 | 32.7 | 0 | 0 | 0 | 111.1 | I236 A240 V241 E242 E315 | I236-P238 WeakPolarHBondContact O-CD 3.4Å; P238-A240 PolarHBondContact O-N 3.18Å; P238-V241 HydrophobicContact CB-CG2 4.2Å; P238-V241 HydrophobicContact CG-CG2 4.11Å; P238-V241 WeakPolarHBondContact O-CA 3.34Å; P238-V241 VanDerWaalsContact O-CB 3.31Å; P238-V241 WeakPolarHBondContact O-CB 3.47Å; P238-V241 PolarHBondContact O-N 2.81Å; P238-E242 PolarHBondContact O-N 3.4Å; P238-E315 HydrophobicContact CG-CG 4.31Å |
| 239 | Q | 98 | Very high | 95.9 | Very high | 138 Ų | 138 | 63.4 Ų | 63.4 | 65% | 0.645 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -53.4 | -34.9 | 177.6 | -170.6 | -176.2 | 17.1 | 0 | 0 | 112.9 | V241 E242 Q243 | Q239-V241 VanDerWaalsContact C-N 3.28Å; Q239-V241 PolarHBondContact O-N 2.81Å; Q239-E242 PolarHBondContact O-N 3.47Å; Q239-Q243 VanDerWaalsContact O-CG 3.31Å; Q239-Q243 WeakPolarHBondContact O-CG 3.46Å; Q239-Q243 PolarHBondContact O-N 3Å |
| 240 | A | 98.2 | Very high | 95.8 | Very high | 40 Ų | 40 | 71 Ų | 71 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.4 | -27.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P238 Q244 P311 | P238-A240 PolarHBondContact O-N 3.18Å; A240-Q244 WeakPolarHBondContact O-CB 3.33Å; A240-Q244 PolarHBondContact O-N 2.8Å; A240-P311 HydrophobicContact CB-CB 3.97Å; A240-P311 HydrophobicContact CB-CG 4Å; A240-P311 WeakPolarHBondContact O-CB 3.39Å |
| 241 | V | 98.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 76.8 Ų | 76.8 | 1% | 0.012 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.8 | -47.4 | 172.3 | 171.9 | 0 | 0 | 0 | 0 | 109.8 | W237 P238 Q239 Q243 Q244 V245 P311 L312 E315 P334 | W237-V241 HydrophobicContact CE3-CG1 4.05Å; P238-V241 HydrophobicContact CB-CG2 4.2Å; P238-V241 HydrophobicContact CG-CG2 4.11Å; P238-V241 WeakPolarHBondContact O-CA 3.34Å; P238-V241 VanDerWaalsContact O-CB 3.31Å; P238-V241 WeakPolarHBondContact O-CB 3.47Å; P238-V241 PolarHBondContact O-N 2.81Å; Q239-V241 VanDerWaalsContact C-N 3.28Å; Q239-V241 PolarHBondContact O-N 2.81Å; V241-Q243 VanDerWaalsContact C-N 3.3Å; V241-Q243 PolarHBondContact O-N 3.22Å; V241-Q244 PolarHBondContact O-N 3Å; V241-V245 WeakPolarHBondContact O-CG2 3.43Å; V241-V245 PolarHBondContact O-N 3.29Å; V241-P311 HydrophobicContact CG2-CB 4.05Å; V241-L312 HydrophobicContact CG1-CD2 3.75Å; V241-L312 HydrophobicContact CG1-CG 4.43Å; V241-E315 HydrophobicContact CG2-CB 3.87Å; V241-E315 HydrophobicContact CG2-CG 4.37Å; V241-P334 HydrophobicContact CG1-CG 3.59Å |
| 242 | E | 97.5 | Very high | 96.1 | Very high | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 177 | -62 | -179.7 | 144.6 | 0 | 0 | 111.5 | W237 P238 Q239 Q244 V245 A246 | W237-E242 HydrophobicContact CB-CG 4.23Å; P238-E242 PolarHBondContact O-N 3.4Å; Q239-E242 PolarHBondContact O-N 3.47Å; E242-Q244 VanDerWaalsContact C-N 3.34Å; E242-Q244 PolarHBondContact O-N 3.44Å; E242-V245 WeakPolarHBondContact O-CG2 3.38Å; E242-V245 PolarHBondContact O-N 3.36Å; E242-A246 WeakPolarHBondContact O-CB 3.5Å; E242-A246 PolarHBondContact O-N 3.39Å |
| 243 | Q | 97.7 | Very high | 96.1 | Very high | 125 Ų | 125 | 73.6 Ų | 73.6 | 58% | 0.584 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | 175 | -72.6 | 172.1 | -4.1 | 0 | 0 | 112.7 | Q239 V241 | Q239-Q243 VanDerWaalsContact O-CG 3.31Å; Q239-Q243 WeakPolarHBondContact O-CG 3.46Å; Q239-Q243 PolarHBondContact O-N 3Å; V241-Q243 VanDerWaalsContact C-N 3.3Å; V241-Q243 PolarHBondContact O-N 3.22Å |
| 244 | Q | 97.4 | Very high | 96.2 | Very high | 57 Ų | 57 | 78.9 Ų | 78.9 | 27% | 0.266 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 179.8 | -174.9 | 177 | 1 | 0 | 0 | 111.7 | A240 V241 E242 T310 L312 | A240-Q244 WeakPolarHBondContact O-CB 3.33Å; A240-Q244 PolarHBondContact O-N 2.8Å; V241-Q244 PolarHBondContact O-N 3Å; E242-Q244 VanDerWaalsContact C-N 3.34Å; E242-Q244 PolarHBondContact O-N 3.44Å; Q244-T310 VanDerWaalsContact NE2-CB 3.29Å; Q244-T310 PolarHBondContact NE2-OG1 3.05Å; Q244-T310 VanDerWaalsContact NE2-OG1 3.11Å; Q244-T310 PolarHBondContact OE1-OG1 2.84Å; Q244-L312 HydrophobicContact CG-CD1 4.03Å; Q244-L312 HydrophobicContact CG-CG 4.34Å |
| 245 | V | 96.7 | Very high | 96.1 | Very high | 21 Ų | 21 | 85 Ų | 85 | 13% | 0.127 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -78.9 | -22.3 | -178.5 | -61.4 | 0 | 0 | 0 | 0 | 113.5 | V241 E242 G247 L248 L312 P334 V336 L337 | V241-V245 WeakPolarHBondContact O-CG2 3.43Å; V241-V245 PolarHBondContact O-N 3.29Å; E242-V245 WeakPolarHBondContact O-CG2 3.38Å; E242-V245 PolarHBondContact O-N 3.36Å; V245-G247 PolarHBondContact O-N 2.97Å; V245-G247 VanDerWaalsContact O-N 3.11Å; V245-L248 HydrophobicContact CB-CD1 3.98Å; V245-L248 HydrophobicContact CG1-CD1 4.1Å; V245-L248 WeakPolarHBondContact O-CB 3.37Å; V245-L248 WeakPolarHBondContact O-CG 3.3Å; V245-L248 PolarHBondContact O-N 3.21Å; V245-L312 HydrophobicContact CG1-CD1 4.02Å; V245-L312 HydrophobicContact CG1-CD2 3.85Å; V245-L312 HydrophobicContact CG1-CG 4.26Å; V245-P334 HydrophobicContact CG1-CB 4.32Å; V245-P334 HydrophobicContact CG1-CG 4.09Å; V245-V336 HydrophobicContact CB-CG1 3.84Å; V245-V336 HydrophobicContact CG1-CG1 4.23Å; V245-V336 HydrophobicContact CG2-CG1 4.16Å; V245-L337 HydrophobicContact CG1-CD1 4.14Å |
| 246 | A | 96 | Very high | 96.2 | Very high | 84 Ų | 84 | 82.3 Ų | 82.3 | 69% | 0.694 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E242 | E242-A246 WeakPolarHBondContact O-CB 3.5Å; E242-A246 PolarHBondContact O-N 3.39Å |
| 247 | G | 91.3 | Very high | 96.2 | Very high | 68 Ų | 68 | 78.1 Ų | 78.1 | 70% | 0.701 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V245 | V245-G247 PolarHBondContact O-N 2.97Å; V245-G247 VanDerWaalsContact O-N 3.11Å |
| 248 | L | 93.8 | Very high | 96.2 | Very high | 58 Ų | 58 | 79.4 Ų | 79.4 | 30% | 0.304 | 43% | 0.434 | S | S | . | . | trans | -74 | 135.2 | -179.3 | -65.4 | 172.5 | 0 | 0 | 0 | 110.8 | V245 L337 L341 | V245-L248 HydrophobicContact CB-CD1 3.98Å; V245-L248 HydrophobicContact CG1-CD1 4.1Å; V245-L248 WeakPolarHBondContact O-CB 3.37Å; V245-L248 WeakPolarHBondContact O-CG 3.3Å; V245-L248 PolarHBondContact O-N 3.21Å; L248-L337 HydrophobicContact CD1-CD1 4.13Å; L248-L337 HydrophobicContact CD1-CD2 3.41Å; L248-L337 VanDerWaalsContact CD1-CD2 3.41Å; L248-L337 HydrophobicContact CD1-CG 3.63Å; L248-L341 HydrophobicContact CB-CD1 4.06Å; L248-L341 HydrophobicContact CD1-CD1 4.39Å; L248-L341 HydrophobicContact CD2-CD1 4.13Å; L248-L341 HydrophobicContact CG-CD1 4.43Å | ||
| 249 | K | 92.8 | Very high | 96 | Very high | 143 Ų | 143 | 81.2 Ų | 81.2 | 62% | 0.622 | 46% | 0.463 | S | S | * | . | trans | -81.1 | 157.3 | 171.9 | -60.8 | 179.2 | -177.2 | 177.7 | 0 | 109.8 | E251 L341 | K249-E251 VanDerWaalsContact C-N 3.34Å; K249-L341 WeakPolarHBondContact O-CD1 3.47Å | ||
| 250 | E | 91.6 | Very high | 96.1 | Very high | 178 Ų | 178 | 75.9 Ų | 75.9 | 83% | 0.832 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -69.9 | -33.7 | 176.1 | -173.4 | 173.6 | 176.7 | 0 | 0 | 112.4 | L341 | E250-L341 WeakPolarHBondContact O-CD2 3.48Š|
| 251 | E | 94.9 | Very high | 96.1 | Very high | 151 Ų | 151 | 77.1 Ų | 77.1 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -108.3 | 151.2 | -177.7 | -62.3 | -173.2 | 134.5 | 0 | 0 | 112.4 | K249 P253 | K249-E251 VanDerWaalsContact C-N 3.34Å; E251-P253 WeakPolarHBondContact O-CD 3.22Å |
| 252 | V | 96.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 81 Ų | 81 | 4% | 0.042 | 46% | 0.461 | C | S | . | . | trans | -69.8 | 117.8 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 109 | A256 K257 L341 D349 L351 | V252-A256 HydrophobicContact CG1-CB 4.11Å; V252-K257 HydrophobicContact CG1-CG 3.94Å; V252-K257 WeakPolarHBondContact O-CE 3.45Å; V252-L341 HydrophobicContact CG2-CD2 4.29Å; V252-D349 WeakPolarHBondContact CG2-O 3.5Å; V252-L351 HydrophobicContact CG1-CD1 4.1Å; V252-L351 HydrophobicContact CG1-CD2 3.57Å; V252-L351 HydrophobicContact CG1-CG 3.7Å; V252-L351 HydrophobicContact CG2-CG 4.31Å | ||
| 253 | P | 95.5 | Very high | 96.2 | Very high | 46 Ų | 46 | 76.6 Ų | 76.6 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | trans | -69.4 | 149.2 | -179.7 | 30.8 | -35.7 | 0 | 0 | 0 | 111.3 | E251 E255 A256 | E251-P253 WeakPolarHBondContact O-CD 3.22Å; P253-E255 WeakPolarHBondContact CB-OE2 2.97Å; P253-E255 PolarHBondContact O-N 2.86Å; P253-A256 HydrophobicContact CG-CB 3.96Å; P253-A256 WeakPolarHBondContact O-CB 3.06Å; P253-A256 PolarHBondContact O-N 3.01Å | ||
| 254 | E | 97.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 74.4 Ų | 74.4 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57.6 | -34.1 | -177.1 | -69.6 | -57.5 | 126.6 | 0 | 0 | 112.9 | A256 K257 A258 | E254-A256 PolarHBondContact O-N 3.07Å; E254-K257 WeakPolarHBondContact O-CB 3.19Å; E254-K257 PolarHBondContact O-N 2.97Å; E254-K257 WeakPolarHBondContact OE1-CE 3.23Å; E254-K257 IonicContact OE1-NZ 3.83Å; E254-K257 PolarHBondContact OE1-NZ 2.98Å; E254-A258 PolarHBondContact O-N 3.31Å |
| 255 | E | 96.5 | Very high | 96.3 | Very high | 153 Ų | 153 | 78.8 Ų | 78.8 | 72% | 0.715 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.9 | -29.7 | 178.2 | -56.9 | 78.6 | -164.7 | 0 | 0 | 112.1 | P253 K257 | P253-E255 WeakPolarHBondContact CB-OE2 2.97Å; P253-E255 PolarHBondContact O-N 2.86Å; E255-K257 VanDerWaalsContact C-N 3.32Å |
| 256 | A | 97.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 79.1 Ų | 79.1 | 7% | 0.074 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -78.1 | -17.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V252 P253 E254 R260 Y304 L351 | V252-A256 HydrophobicContact CG1-CB 4.11Å; P253-A256 HydrophobicContact CG-CB 3.96Å; P253-A256 WeakPolarHBondContact O-CB 3.06Å; P253-A256 PolarHBondContact O-N 3.01Å; E254-A256 PolarHBondContact O-N 3.07Å; A256-R260 WeakPolarHBondContact O-CD 3.49Å; A256-R260 PolarHBondContact O-NE 3.16Å; A256-R260 VanDerWaalsContact O-NE 3.07Å; A256-Y304 HydrophobicContact CB-CE1 4.3Å; A256-Y304 VanDerWaalsContact CB-OH 3.23Å; A256-Y304 WeakPolarHBondContact CB-OH 3.49Å; A256-L351 HydrophobicContact CB-CD1 4.09Å |
| 257 | K | 98 | Very high | 96.5 | Very high | 28 Ų | 28 | 76.3 Ų | 76.3 | 12% | 0.122 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -86.1 | -25.2 | 177.8 | -54 | 179.1 | -170.2 | 177.8 | 0 | 111.8 | V252 E254 E255 G259 R260 D349 V374 | V252-K257 HydrophobicContact CG1-CG 3.94Å; V252-K257 WeakPolarHBondContact O-CE 3.45Å; E254-K257 WeakPolarHBondContact O-CB 3.19Å; E254-K257 PolarHBondContact O-N 2.97Å; E254-K257 WeakPolarHBondContact OE1-CE 3.23Å; E254-K257 IonicContact OE1-NZ 3.83Å; E254-K257 PolarHBondContact OE1-NZ 2.98Å; E255-K257 VanDerWaalsContact C-N 3.32Å; K257-G259 PolarHBondContact O-N 3.37Å; K257-R260 WeakPolarHBondContact O-CB 3.44Å; K257-R260 PolarHBondContact O-N 3.24Å; K257-D349 WeakPolarHBondContact CE-OD2 3.48Å; K257-D349 IonicContact NZ-OD2 2.71Å; K257-D349 PolarHBondContact NZ-OD2 3.41Å; K257-V374 HydrophobicContact CD-CG2 4.35Å; K257-V374 HydrophobicContact CG-CG2 4.25Å |
| 258 | A | 96.8 | Very high | 96.8 | Very high | 77 Ų | 77 | 73 Ų | 73 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 135.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E254 R260 | E254-A258 PolarHBondContact O-N 3.31Å; A258-R260 VanDerWaalsContact C-N 3.25Å; A258-R260 PolarHBondContact O-N 2.9Å |
| 259 | G | 95.5 | Very high | 97 | Very high | 91 Ų | 91 | 70.5 Ų | 70.5 | 94% | 0.938 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -7.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K257 | K257-G259 PolarHBondContact O-N 3.37Š|
| 260 | R | 98.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 63.7 Ų | 63.7 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -84.2 | 154.7 | 176.1 | -66.1 | 178.3 | 174.2 | -98.6 | -2.6 | 111.6 | A256 K257 A258 D262 D301 E372 A373 | A256-R260 WeakPolarHBondContact O-CD 3.49Å; A256-R260 PolarHBondContact O-NE 3.16Å; A256-R260 VanDerWaalsContact O-NE 3.07Å; K257-R260 WeakPolarHBondContact O-CB 3.44Å; K257-R260 PolarHBondContact O-N 3.24Å; A258-R260 VanDerWaalsContact C-N 3.25Å; A258-R260 PolarHBondContact O-N 2.9Å; R260-D262 PolarHBondContact O-N 3.27Å; R260-D301 IonicContact CZ-OD2 2.68Å; R260-D301 VanDerWaalsContact CZ-OD2 3.28Å; R260-D301 IonicContact NH1-OD2 3.1Å; R260-D301 PolarHBondContact NH1-OD2 2.89Å; R260-D301 IonicContact NH2-OD2 2.76Å; R260-D301 PolarHBondContact NH2-OD2 3.38Å; R260-E372 HydrophobicContact CG-CB 4.26Å; R260-E372 IonicContact NH2-OE1 3.51Å; R260-A373 PolarHBondContact NH1-O 2.91Å |
| 261 | V | 98.6 | Very high | 97.7 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127.4 | 170.5 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | L263 Y371 E372 A373 V374 | V261-L263 HydrophobicContact CG1-CD2 3.77Å; V261-L263 HydrophobicContact CG1-CG 4.12Å; V261-L263 PolarHBondContact O-N 2.88Å; V261-Y371 HydrophobicContact CB-CD2 3.73Å; V261-Y371 HydrophobicContact CB-CE2 3.82Å; V261-Y371 HydrophobicContact CG1-CD2 4.26Å; V261-Y371 HydrophobicContact CG1-CE2 3.87Å; V261-Y371 HydrophobicContact CG2-CD2 3.5Å; V261-Y371 HydrophobicContact CG2-CE2 3.97Å; V261-Y371 HydrophobicContact CG2-CG 4.19Å; V261-E372 PolarHBondContact N-O 2.94Å; V261-A373 HydrophobicContact CB-CB 4.18Å; V261-A373 CarbonylContact O-C 3.54Å; V261-A373 WeakPolarHBondContact O-CA 3.45Å; V261-A373 VanDerWaalsContact O-CB 3.26Å; V261-A373 WeakPolarHBondContact O-CB 3.45Å; V261-V374 PolarHBondContact O-N 3.2Å |
| 262 | D | 98.7 | Very high | 97.7 | Very high | 83 Ų | 83 | 48.9 Ų | 48.9 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 112 | 177.6 | -164.5 | -11.8 | 0 | 0 | 0 | 110.7 | R260 R264 V374 | R260-D262 PolarHBondContact O-N 3.27Å; D262-R264 WeakPolarHBondContact OD1-CB 3.45Å; D262-R264 WeakPolarHBondContact OD1-CG 3.31Å; D262-R264 IonicContact OD1-CZ 3.78Å; D262-R264 PolarHBondContact OD1-N 3.47Å; D262-R264 IonicContact OD1-NE 3.71Å; D262-R264 PolarHBondContact OD1-NE 3.23Å; D262-R264 IonicContact OD1-NH2 3.82Å; D262-R264 IonicContact OD2-CZ 3.39Å; D262-R264 IonicContact OD2-NE 3.81Å; D262-R264 PolarHBondContact OD2-NE 3.08Å; D262-R264 IonicContact OD2-NH2 2.68Å; D262-R264 PolarHBondContact OD2-NH2 2.89Å; D262-V374 HydrophobicContact CB-CG1 4.45Å |
| 263 | L | 98.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 17.5 | 177.2 | -58.4 | -176.5 | 0 | 0 | 0 | 111.9 | V261 D265 L266 L268 V354 Y371 A373 V374 M375 | V261-L263 HydrophobicContact CG1-CD2 3.77Å; V261-L263 HydrophobicContact CG1-CG 4.12Å; V261-L263 PolarHBondContact O-N 2.88Å; L263-D265 PolarHBondContact O-N 3.45Å; L263-L266 HydrophobicContact CB-CB 4.26Å; L263-L266 HydrophobicContact CD2-CD2 4.35Å; L263-L266 WeakPolarHBondContact O-CB 3.34Å; L263-L266 PolarHBondContact O-N 2.9Å; L263-L268 HydrophobicContact CB-CD1 4.31Å; L263-L268 HydrophobicContact CD1-CD1 4.48Å; L263-V354 HydrophobicContact CD1-CG1 4.28Å; L263-V354 HydrophobicContact CD1-CG2 3.81Å; L263-Y371 HydrophobicContact CD1-CE2 4.07Å; L263-A373 HydrophobicContact CD1-CB 3.85Å; L263-A373 HydrophobicContact CG-CB 4.09Å; L263-V374 WeakPolarHBondContact CA-O 3.3Å; L263-V374 PolarHBondContact N-O 2.93Å; L263-M375 HydrophobicContact CB-CB 4.48Å |
| 264 | R | 98.6 | Very high | 97.3 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.4 | -176.1 | -69.3 | 175.6 | -68.7 | -179.7 | 2.5 | 113.7 | D262 D349 V374 H378 | D262-R264 WeakPolarHBondContact OD1-CB 3.45Å; D262-R264 WeakPolarHBondContact OD1-CG 3.31Å; D262-R264 IonicContact OD1-CZ 3.78Å; D262-R264 PolarHBondContact OD1-N 3.47Å; D262-R264 IonicContact OD1-NE 3.71Å; D262-R264 PolarHBondContact OD1-NE 3.23Å; D262-R264 IonicContact OD1-NH2 3.82Å; D262-R264 IonicContact OD2-CZ 3.39Å; D262-R264 IonicContact OD2-NE 3.81Å; D262-R264 PolarHBondContact OD2-NE 3.08Å; D262-R264 IonicContact OD2-NH2 2.68Å; D262-R264 PolarHBondContact OD2-NH2 2.89Å; R264-D349 VanDerWaalsContact CD-CG 3.45Å; R264-D349 WeakPolarHBondContact CD-OD1 3.43Å; R264-D349 WeakPolarHBondContact CD-OD2 3.45Å; R264-D349 IonicContact CZ-OD2 3.92Å; R264-D349 IonicContact NH1-OD2 2.97Å; R264-D349 PolarHBondContact NH1-OD2 3.43Å; R264-V374 HydrophobicContact CG-CG1 4.48Å; R264-V374 HydrophobicContact CG-CG2 4.31Å; R264-H378 PolarHBondContact O-CE1 2.85Å; R264-H378 VanDerWaalsContact O-CE1 3.29Å |
| 265 | D | 98.4 | Very high | 96.9 | Very high | 149 Ų | 149 | 52.5 Ų | 52.5 | 80% | 0.797 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7 | 174.5 | -65.7 | -36.4 | 0 | 0 | 0 | 113.4 | L263 | L263-D265 PolarHBondContact O-N 3.45Š|
| 266 | L | 98.4 | Very high | 96.6 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -77.9 | 130.5 | 177.9 | -161.8 | 69 | 0 | 0 | 0 | 108.8 | L263 L268 Y284 W296 H378 | L263-L266 HydrophobicContact CB-CB 4.26Å; L263-L266 HydrophobicContact CD2-CD2 4.35Å; L263-L266 WeakPolarHBondContact O-CB 3.34Å; L263-L266 PolarHBondContact O-N 2.9Å; L266-L268 HydrophobicContact CB-CD1 4.47Å; L266-L268 HydrophobicContact CB-CG 4.47Å; L266-L268 HydrophobicContact CD2-CD1 4.3Å; L266-L268 HydrophobicContact CD2-CG 4.2Å; L266-L268 HydrophobicContact CG-CG 4.45Å; L266-L268 PolarHBondContact O-N 2.69Å; L266-Y284 HydrophobicContact CD1-CD1 3.69Å; L266-Y284 HydrophobicContact CD1-CE1 3.48Å; L266-Y284 VanDerWaalsContact CD1-CE1 3.48Å; L266-Y284 HydrophobicContact CD2-CD1 3.86Å; L266-Y284 HydrophobicContact CD2-CE1 4.49Å; L266-Y284 HydrophobicContact CD2-CG 4.49Å; L266-Y284 HydrophobicContact CG-CD1 3.63Å; L266-Y284 HydrophobicContact CG-CE1 3.94Å; L266-Y284 HydrophobicContact CG-CG 4.18Å; L266-W296 HydrophobicContact CD2-CB 4.31Å; L266-W296 HydrophobicContact CD2-CD2 3.98Å; L266-W296 HydrophobicContact CD2-CG 3.88Å; L266-H378 PolarHBondContact O-CE1 3.19Å; L266-H378 PolarHBondContact O-ND1 3.46Å |
| 267 | P | 98.5 | Very high | 96.2 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | trans | -71 | 48.6 | -176.5 | -19.9 | 32.8 | 0 | 0 | 0 | 115.7 | Y284 L403 | P267-Y284 HydrophobicContact CB-CD2 3.94Å; P267-Y284 HydrophobicContact CB-CE2 3.74Å; P267-Y284 HydrophobicContact CG-CD2 4.42Å; P267-Y284 HydrophobicContact CG-CE2 3.81Å; P267-Y284 WeakPolarHBondContact O-CD2 3.08Å; P267-L403 HydrophobicContact CB-CD2 4.08Å | ||
| 268 | L | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -63.6 | 136.7 | 173.6 | -71.7 | 161.4 | 0 | 0 | 0 | 110.2 | L263 L266 A282 W296 A298 M375 H378 | L263-L268 HydrophobicContact CB-CD1 4.31Å; L263-L268 HydrophobicContact CD1-CD1 4.48Å; L266-L268 HydrophobicContact CB-CD1 4.47Å; L266-L268 HydrophobicContact CB-CG 4.47Å; L266-L268 HydrophobicContact CD2-CD1 4.3Å; L266-L268 HydrophobicContact CD2-CG 4.2Å; L266-L268 HydrophobicContact CG-CG 4.45Å; L266-L268 PolarHBondContact O-N 2.69Å; L268-A282 HydrophobicContact CB-CB 4.25Å; L268-A282 HydrophobicContact CD2-CB 4.49Å; L268-W296 HydrophobicContact CD2-CB 4.25Å; L268-A298 HydrophobicContact CD1-CB 4.19Å; L268-A298 HydrophobicContact CD2-CB 4.27Å; L268-M375 HydrophobicContact CB-CE 3.76Å; L268-M375 HydrophobicContact CD1-CB 3.88Å; L268-M375 HydrophobicContact CD1-CE 4.02Å; L268-M375 HydrophobicContact CD1-SD 4.04Å; L268-M375 HydrophobicContact CG-CE 4.49Å; L268-H378 PolarHBondContact O-N 2.6Å | ||
| 269 | V | 98.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.7 | 177.7 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | I271 A282 V283 A379 L381 L403 L407 | V269-I271 HydrophobicContact CG2-CD1 4.25Å; V269-I271 HydrophobicContact CG2-CG1 4.24Å; V269-A282 CarbonylContact O-C 3.59Å; V269-A282 WeakPolarHBondContact O-CA 3.27Å; V269-A282 WeakPolarHBondContact O-CB 3.33Å; V269-V283 HydrophobicContact CG2-CG2 4.4Å; V269-V283 PolarHBondContact N-O 2.88Å; V269-V283 PolarHBondContact O-N 3.11Å; V269-A379 HydrophobicContact CG1-CB 4.19Å; V269-L381 HydrophobicContact CB-CD1 4.16Å; V269-L381 HydrophobicContact CG1-CD1 4.33Å; V269-L381 HydrophobicContact CG2-CD1 4.25Å; V269-L403 HydrophobicContact CG1-CD1 3.89Å; V269-L403 HydrophobicContact CG1-CD2 3.98Å; V269-L403 HydrophobicContact CG1-CG 4.49Å; V269-L407 HydrophobicContact CG2-CD2 4.24Å |
| 270 | T | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 141.1 | 169.4 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | F279 D281 A282 L344 A379 R380 L381 | T270-F279 HydrophobicContact CG2-CB 3.95Å; T270-D281 WeakPolarHBondContact CG2-O 3.44Å; T270-A282 HydrophobicContact CG2-CB 4Å; T270-L344 HydrophobicContact CG2-CB 3.86Å; T270-L344 WeakPolarHBondContact CG2-O 3.29Å; T270-A379 PolarHBondContact N-O 2.73Å; T270-A379 VanDerWaalsContact N-O 3.11Å; T270-R380 WeakPolarHBondContact OG1-CA 3.2Å; T270-L381 WeakPolarHBondContact O-CB 3.35Å; T270-L381 PolarHBondContact O-N 3.15Å |
| 271 | I | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 103.6 | -177.2 | -53.7 | 171.9 | 0 | 0 | 0 | 108.5 | V269 V283 L381 Y383 V386 L407 L458 I459 | V269-I271 HydrophobicContact CG2-CD1 4.25Å; V269-I271 HydrophobicContact CG2-CG1 4.24Å; I271-V283 HydrophobicContact CD1-CG2 4.27Å; I271-L381 HydrophobicContact CG1-CB 4.22Å; I271-L381 HydrophobicContact CG1-CD1 4.45Å; I271-Y383 HydrophobicContact CG2-CD1 3.65Å; I271-Y383 HydrophobicContact CG2-CE1 3.94Å; I271-Y383 HydrophobicContact CG2-CG 4.32Å; I271-Y383 WeakPolarHBondContact O-CE1 3.48Å; I271-Y383 VanDerWaalsContact O-CZ 3.32Å; I271-Y383 PolarHBondContact O-OH 3.36Å; I271-V386 HydrophobicContact CD1-CG1 4.43Å; I271-V386 HydrophobicContact CD1-CG2 3.92Å; I271-V386 HydrophobicContact CG1-CG2 4.01Å; I271-V386 HydrophobicContact CG2-CB 4.39Å; I271-V386 HydrophobicContact CG2-CG2 3.8Å; I271-L407 HydrophobicContact CD1-CD2 4.21Å; I271-L458 HydrophobicContact CD1-CD1 4.23Å; I271-I459 HydrophobicContact CB-CD1 4.02Å; I271-I459 HydrophobicContact CB-CG1 4Å; I271-I459 HydrophobicContact CD1-CD1 4.05Å; I271-I459 HydrophobicContact CD1-CG1 4.41Å; I271-I459 HydrophobicContact CG1-CD1 4.36Å; I271-I459 HydrophobicContact CG2-CG1 4.35Å |
| 272 | D | 96 | Very high | 95.7 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 169.1 | -170.9 | -61.6 | -91.5 | 0 | 0 | 0 | 112.3 | A276 F279 R380 L381 T382 Y383 | D272-A276 HydrophobicContact CB-CB 3.77Å; D272-F279 HydrophobicContact CB-CD1 4.01Å; D272-F279 HydrophobicContact CB-CE1 4.09Å; D272-F279 WeakPolarHBondContact OD2-CD1 3.19Å; D272-R380 PolarHBondContact O-NH1 3.14Å; D272-R380 VanDerWaalsContact O-NH1 3.16Å; D272-L381 PolarHBondContact N-O 3.47Å; D272-T382 WeakPolarHBondContact O-CA 3.42Å; D272-Y383 VanDerWaalsContact C-CE2 3.49Å; D272-Y383 PolarHBondContact O-N 2.86Å |
| 273 | G | 92.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 27% | 0.268 | 19% | 0.192 | S | C | . | . | trans | -58.4 | 155.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | D275 A276 R380 | G273-D275 PolarHBondContact O-N 3.01Å; G273-A276 WeakPolarHBondContact O-CB 3.47Å; G273-A276 PolarHBondContact O-N 3.4Å; G273-A276 VanDerWaalsContact O-N 3.16Å; G273-R380 PolarHBondContact O-NH1 3.06Å; G273-R380 PolarHBondContact O-NH2 2.91Å | ||
| 274 | E | 91.6 | Very high | 95.7 | Very high | 85 Ų | 85 | 37.1 Ų | 37.1 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -35.2 | -178.5 | -73.4 | 69.9 | -160.7 | 0 | 0 | 112.8 | R277 R380 T382 T384 | E274-R277 PolarHBondContact O-NH1 3.46Å; E274-R380 PolarHBondContact O-NH2 2.74Å; E274-T382 HydrophobicContact CG-CG2 3.88Å; E274-T382 VanDerWaalsContact OE1-CB 3.24Å; E274-T382 WeakPolarHBondContact OE1-CB 3.24Å; E274-T382 PolarHBondContact OE1-OG1 3.14Å; E274-T384 VanDerWaalsContact OE1-CB 3.25Å; E274-T384 WeakPolarHBondContact OE1-CB 3.49Å; E274-T384 PolarHBondContact OE1-OG1 3.34Å |
| 275 | D | 88.5 | Confident | 95.7 | Very high | 137 Ų | 137 | 33.4 Ų | 33.4 | 73% | 0.733 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -10.2 | -177 | -59.8 | -43.5 | 0 | 0 | 0 | 114 | G273 R277 | G273-D275 PolarHBondContact O-N 3.01Å; D275-R277 VanDerWaalsContact C-NH1 3.32Å; D275-R277 PolarHBondContact O-NH1 3.38Å |
| 276 | A | 90.2 | Very high | 95.7 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 19% | 0.19 | 15% | 0.153 | C | C | . | . | trans | -66.6 | 144.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D272 G273 F279 R380 | D272-A276 HydrophobicContact CB-CB 3.77Å; G273-A276 WeakPolarHBondContact O-CB 3.47Å; G273-A276 PolarHBondContact O-N 3.4Å; G273-A276 VanDerWaalsContact O-N 3.16Å; A276-F279 HydrophobicContact CB-CE1 4.15Å; A276-R380 PolarHBondContact O-NH2 3.1Å | ||
| 277 | R | 88.6 | Confident | 95.7 | Very high | 136 Ų | 136 | 35.2 Ų | 35.2 | 51% | 0.513 | 18% | 0.176 | S | C | . | . | trans | -132.3 | -16.4 | 178.7 | -61.2 | -64.2 | 179.7 | -88.6 | -1.7 | 113.1 | E274 D275 N339 S343 | E274-R277 PolarHBondContact O-NH1 3.46Å; D275-R277 VanDerWaalsContact C-NH1 3.32Å; D275-R277 PolarHBondContact O-NH1 3.38Å; R277-N339 HydrophobicContact CB-CB 4.44Å; R277-S343 PolarHBondContact O-OG 3.3Å | ||
| 278 | D | 89.1 | Confident | 95.6 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | trans | -104.2 | 80.9 | -178.9 | 50.3 | -30.9 | 0 | 0 | 0 | 110.3 | D280 Y324 I570 | D278-D280 PolarHBondContact O-N 3.29Å; D278-Y324 PolarHBondContact OD2-OH 3Å; D278-I570 HydrophobicContact CB-CG2 4.21Å | ||
| 279 | F | 95 | Very high | 95.2 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.044 | 23% | 0.23 | C | C | . | . | trans | -82.1 | 96.2 | -177.8 | -46.4 | -55.8 | 0 | 0 | 0 | 110 | T270 D272 A276 S343 L344 R380 | T270-F279 HydrophobicContact CG2-CB 3.95Å; D272-F279 HydrophobicContact CB-CD1 4.01Å; D272-F279 HydrophobicContact CB-CE1 4.09Å; D272-F279 WeakPolarHBondContact OD2-CD1 3.19Å; A276-F279 HydrophobicContact CB-CE1 4.15Å; F279-S343 WeakPolarHBondContact CD2-OG 3.29Å; F279-S343 PolarHBondContact N-OG 2.89Å; F279-L344 HydrophobicContact CB-CB 4.39Å; F279-L344 WeakPolarHBondContact O-CG 3.49Å; F279-L344 PolarHBondContact O-N 3.41Å; F279-R380 HydrophobicContact CD2-CG 4.46Å; F279-R380 HydrophobicContact CE1-CG 3.99Å; F279-R380 HydrophobicContact CE2-CG 3.79Å; F279-R380 HydrophobicContact CZ-CG 3.52Å | ||
| 280 | D | 95.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | trans | -72.8 | -35.4 | -179 | -93.9 | -51.1 | 0 | 0 | 0 | 112.9 | D278 I299 A300 S568 P569 I570 R571 | D278-D280 PolarHBondContact O-N 3.29Å; D280-I299 CarbonylContact O-C 3.44Å; D280-I299 VanDerWaalsContact O-CA 3.27Å; D280-I299 WeakPolarHBondContact O-CA 3.45Å; D280-A300 PolarHBondContact O-N 2.98Å; D280-S568 WeakPolarHBondContact OD2-CA 3.42Å; D280-S568 WeakPolarHBondContact OD2-CB 3.35Å; D280-P569 WeakPolarHBondContact OD1-CD 3.48Å; D280-I570 WeakPolarHBondContact OD1-CB 3.22Å; D280-I570 WeakPolarHBondContact OD1-CD1 3.48Å; D280-I570 WeakPolarHBondContact OD1-CG1 3.4Å; D280-I570 PolarHBondContact OD1-N 2.89Å; D280-R571 IonicContact OD2-NE 2.75Å | ||
| 281 | D | 98.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145 | -167.9 | 63.5 | -92.9 | 0 | 0 | 0 | 113.4 | T270 A298 I299 M463 | T270-D281 WeakPolarHBondContact CG2-O 3.44Å; D281-A298 CarbonylContact C-O 3.49Å; D281-A298 WeakPolarHBondContact CA-O 3.29Å; D281-I299 HydrophobicContact CB-CD1 3.45Å; D281-I299 VanDerWaalsContact CB-CD1 3.45Å; D281-M463 HydrophobicContact CB-CE 3.96Å; D281-M463 HydrophobicContact CB-SD 3.71Å; D281-M463 WeakPolarHBondContact OD2-CE 3.17Å |
| 282 | A | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L268 V269 T270 A298 L344 M375 | L268-A282 HydrophobicContact CB-CB 4.25Å; L268-A282 HydrophobicContact CD2-CB 4.49Å; V269-A282 CarbonylContact O-C 3.59Å; V269-A282 WeakPolarHBondContact O-CA 3.27Å; V269-A282 WeakPolarHBondContact O-CB 3.33Å; T270-A282 HydrophobicContact CG2-CB 4Å; A282-A298 HydrophobicContact CB-CB 4.44Å; A282-A298 PolarHBondContact N-O 2.97Å; A282-A298 PolarHBondContact O-N 3.2Å; A282-L344 HydrophobicContact CB-CD1 3.79Å; A282-M375 HydrophobicContact CB-CE 3.64Å; A282-M375 HydrophobicContact CB-SD 4.08Å |
| 283 | V | 98.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.2 | -172.5 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | V269 I271 W296 V297 L410 I459 C462 M463 | V269-V283 HydrophobicContact CG2-CG2 4.4Å; V269-V283 PolarHBondContact N-O 2.88Å; V269-V283 PolarHBondContact O-N 3.11Å; I271-V283 HydrophobicContact CD1-CG2 4.27Å; V283-W296 WeakPolarHBondContact CA-O 3.36Å; V283-V297 HydrophobicContact CG1-CG2 4.44Å; V283-L410 HydrophobicContact CB-CD1 4.46Å; V283-L410 HydrophobicContact CB-CD2 4.31Å; V283-L410 HydrophobicContact CG2-CD1 3.74Å; V283-L410 HydrophobicContact CG2-CD2 4.35Å; V283-I459 HydrophobicContact CB-CD1 4.47Å; V283-I459 HydrophobicContact CG1-CD1 3.95Å; V283-I459 HydrophobicContact CG2-CD1 3.66Å; V283-C462 HydrophobicContact CG1-CB 4.17Å; V283-M463 HydrophobicContact CG1-CE 3.38Å |
| 284 | Y | 98.9 | Very high | 95 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 144.2 | 170.7 | 177 | -107.6 | 0 | 0 | 0 | 110 | L266 P267 E286 L295 W296 H406 | L266-Y284 HydrophobicContact CD1-CD1 3.69Å; L266-Y284 HydrophobicContact CD1-CE1 3.48Å; L266-Y284 VanDerWaalsContact CD1-CE1 3.48Å; L266-Y284 HydrophobicContact CD2-CD1 3.86Å; L266-Y284 HydrophobicContact CD2-CE1 4.49Å; L266-Y284 HydrophobicContact CD2-CG 4.49Å; L266-Y284 HydrophobicContact CG-CD1 3.63Å; L266-Y284 HydrophobicContact CG-CE1 3.94Å; L266-Y284 HydrophobicContact CG-CG 4.18Å; P267-Y284 HydrophobicContact CB-CD2 3.94Å; P267-Y284 HydrophobicContact CB-CE2 3.74Å; P267-Y284 HydrophobicContact CG-CD2 4.42Å; P267-Y284 HydrophobicContact CG-CE2 3.81Å; P267-Y284 WeakPolarHBondContact O-CD2 3.08Å; Y284-E286 HydrophobicContact CD1-CG 4.47Å; Y284-E286 HydrophobicContact CE1-CG 3.42Å; Y284-E286 VanDerWaalsContact CE1-CG 3.42Å; Y284-E286 WeakPolarHBondContact CE1-OE1 3.48Å; Y284-E286 VanDerWaalsContact OH-CG 3.27Å; Y284-E286 WeakPolarHBondContact OH-CG 3.5Å; Y284-E286 PolarHBondContact OH-OE1 3.32Å; Y284-L295 WeakPolarHBondContact O-CD1 3.38Å; Y284-W296 HydrophobicContact CD1-CD2 4.33Å; Y284-W296 AromaticContact CD1-CE3 3.59Å; Y284-W296 HydrophobicContact CD1-CE3 3.59Å; Y284-W296 AromaticContact CD1-CZ3 3.79Å; Y284-W296 HydrophobicContact CD1-CZ3 3.79Å; Y284-W296 HydrophobicContact CE1-CE3 4.17Å; Y284-W296 HydrophobicContact CE1-CH2 4.5Å; Y284-W296 AromaticContact CE1-CZ3 3.87Å; Y284-W296 HydrophobicContact CE1-CZ3 3.87Å; Y284-W296 PolarHBondContact N-O 2.96Å; Y284-W296 VanDerWaalsContact N-O 3.1Å; Y284-W296 PolarHBondContact O-N 3.07Å; Y284-H406 HydrophobicContact CD2-CB 4.36Å; Y284-H406 HydrophobicContact CE2-CB 4.09Å; Y284-H406 AromaticContact CE2-CE1 3.78Å; Y284-H406 AromaticContact CE2-CG 3.6Å; Y284-H406 AromaticContact CE2-ND1 3.44Å; Y284-H406 WeakPolarHBondContact CE2-ND1 3.41Å; Y284-H406 PolarHBondContact OH-CE1 3.27Å |
| 285 | C | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 158 | 172 | 82.1 | 0 | 0 | 0 | 0 | 113.4 | R294 L295 L410 L413 | C285-R294 CarbonylContact C-O 3.51Å; C285-R294 WeakPolarHBondContact CA-O 3.41Å; C285-R294 VanDerWaalsContact CB-O 3.31Å; C285-R294 WeakPolarHBondContact CB-O 3.25Å; C285-L295 HydrophobicContact CB-CB 4.42Å; C285-L295 HydrophobicContact CB-CD1 4.03Å; C285-L410 HydrophobicContact CB-CD2 3.95Å; C285-L410 PolarHBondContact SG-N 3.35Å; C285-L410 VanDerWaalsContact SG-N 3.45Å; C285-L413 HydrophobicContact CB-CD2 4.14Å |
| 286 | E | 98.2 | Very high | 95.9 | Very high | 72 Ų | 72 | 49.7 Ų | 49.7 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 151.8 | 175.9 | -65 | 175.3 | 173 | 0 | 0 | 110.4 | Y284 K288 W293 R294 W296 | Y284-E286 HydrophobicContact CD1-CG 4.47Å; Y284-E286 HydrophobicContact CE1-CG 3.42Å; Y284-E286 VanDerWaalsContact CE1-CG 3.42Å; Y284-E286 WeakPolarHBondContact CE1-OE1 3.48Å; Y284-E286 VanDerWaalsContact OH-CG 3.27Å; Y284-E286 WeakPolarHBondContact OH-CG 3.5Å; Y284-E286 PolarHBondContact OH-OE1 3.32Å; E286-K288 PolarHBondContact O-N 2.79Å; E286-W293 CarbonylContact O-C 3.57Å; E286-W293 VanDerWaalsContact O-CA 3.25Å; E286-W293 WeakPolarHBondContact O-CA 3.35Å; E286-R294 PolarHBondContact N-O 3.04Å; E286-R294 PolarHBondContact O-N 2.77Å; E286-W296 HydrophobicContact CB-CZ3 4.4Å; E286-W296 HydrophobicContact CG-CZ3 4.14Å |
| 287 | K | 98 | Very high | 96.3 | Very high | 143 Ų | 143 | 48.6 Ų | 48.6 | 62% | 0.622 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 131.8 | 167.7 | -65 | -173.5 | -170.5 | 179.5 | 0 | 110.2 | E409 | K287-E409 WeakPolarHBondContact CE-OE1 3.4Å; K287-E409 WeakPolarHBondContact CE-OE2 3.32Å; K287-E409 HydrophobicContact CG-CG 4.35Å; K287-E409 WeakPolarHBondContact CG-OE1 3.34Å; K287-E409 IonicContact NZ-OE2 2.78Å |
| 288 | K | 96.1 | Very high | 96.8 | Very high | 88 Ų | 88 | 42.1 Ų | 42.1 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -85.6 | 139.3 | 175.2 | -171.4 | 173.4 | 175.8 | -69.7 | 0 | 110.5 | E286 G290 G291 G292 T358 | E286-K288 PolarHBondContact O-N 2.79Å; K288-G290 PolarHBondContact O-N 2.7Å; K288-G291 PolarHBondContact O-N 3.34Å; K288-G292 PolarHBondContact N-O 2.87Å; K288-T358 HydrophobicContact CD-CG2 4.08Å |
| 289 | R | 91.7 | Very high | 97.2 | Very high | 243 Ų | 243 | 40.7 Ų | 40.7 | 92% | 0.917 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 125.3 | 171.7 | -170 | 177 | 72.8 | -176.3 | 2.1 | 110 | ||
| 290 | G | 91.1 | Very high | 97.4 | Very high | 89 Ų | 89 | 40.2 Ų | 40.2 | 92% | 0.918 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | 2.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K288 | K288-G290 PolarHBondContact O-N 2.7Š|
| 291 | G | 94.1 | Very high | 97.5 | Very high | 41 Ų | 41 | 40 Ų | 40 | 42% | 0.423 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 102.7 | 157.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K288 | K288-G291 PolarHBondContact O-N 3.34Š|
| 292 | G | 97.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 6% | 0.062 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 83.3 | -163.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | K288 V359 | K288-G292 PolarHBondContact N-O 2.87Å; G292-V359 CarbonylContact C-O 3.55Å; G292-V359 WeakPolarHBondContact CA-O 3.33Å |
| 293 | W | 98.7 | Very high | 97.6 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 11% | 0.106 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 156.9 | -172.7 | -66.2 | -95.7 | 0 | 0 | 0 | 112.3 | E286 T358 V359 E409 N412 L413 V416 | E286-W293 CarbonylContact O-C 3.57Å; E286-W293 VanDerWaalsContact O-CA 3.25Å; E286-W293 WeakPolarHBondContact O-CA 3.35Å; W293-T358 WeakPolarHBondContact O-CA 3.36Å; W293-V359 HydrophobicContact CB-CB 4.45Å; W293-V359 PolarHBondContact N-O 2.76Å; W293-V359 PolarHBondContact O-N 3.01Å; W293-E409 PolarHBondContact NE1-OE1 3.01Å; W293-N412 HydrophobicContact CZ2-CB 4.26Å; W293-L413 HydrophobicContact CB-CD1 4.02Å; W293-L413 HydrophobicContact CB-CD2 4.37Å; W293-L413 HydrophobicContact CD2-CB 4.18Å; W293-L413 HydrophobicContact CD2-CD1 3.85Å; W293-L413 HydrophobicContact CE3-CD1 3.8Å; W293-L413 HydrophobicContact CG-CB 4.13Å; W293-L413 HydrophobicContact CG-CD1 3.93Å; W293-L413 HydrophobicContact CG-CG 4.42Å; W293-V416 HydrophobicContact CH2-CB 4.36Å; W293-V416 HydrophobicContact CH2-CG2 3.71Å; W293-V416 HydrophobicContact CZ3-CB 4.23Å; W293-V416 HydrophobicContact CZ3-CG1 4.3Å; W293-V416 HydrophobicContact CZ3-CG2 4.05Å |
| 294 | R | 98.7 | Very high | 97.5 | Very high | 88 Ų | 88 | 42 Ų | 42 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128 | 156.3 | -175 | -178.8 | -77.5 | 139.5 | -6.4 | 107.6 | C285 E286 W296 E356 M357 | C285-R294 CarbonylContact C-O 3.51Å; C285-R294 WeakPolarHBondContact CA-O 3.41Å; C285-R294 VanDerWaalsContact CB-O 3.31Å; C285-R294 WeakPolarHBondContact CB-O 3.25Å; E286-R294 PolarHBondContact N-O 3.04Å; E286-R294 PolarHBondContact O-N 2.77Å; R294-W296 HydrophobicContact CB-CH2 4.16Å; R294-W296 HydrophobicContact CB-CZ3 3.93Å; R294-W296 HydrophobicContact CG-CD2 4.37Å; R294-W296 HydrophobicContact CG-CE3 4.02Å; R294-W296 HydrophobicContact CG-CH2 3.64Å; R294-W296 HydrophobicContact CG-CZ2 3.91Å; R294-W296 HydrophobicContact CG-CZ3 3.63Å; R294-E356 WeakPolarHBondContact CD-OE1 3.42Å; R294-E356 HydrophobicContact CG-CG 3.98Å; R294-E356 IonicContact NE-OE1 3.87Å; R294-E356 PolarHBondContact NE-OE1 3.41Å; R294-M357 CarbonylContact C-O 3.49Å; R294-M357 VanDerWaalsContact CA-O 3.29Å; R294-M357 WeakPolarHBondContact CA-O 3.41Å |
| 295 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.2 | -177.9 | 170.6 | 66.1 | 0 | 0 | 0 | 108.5 | Y284 C285 V297 E356 M357 L410 L413 C462 L465 | Y284-L295 WeakPolarHBondContact O-CD1 3.38Å; C285-L295 HydrophobicContact CB-CB 4.42Å; C285-L295 HydrophobicContact CB-CD1 4.03Å; L295-V297 HydrophobicContact CD1-CG2 4.29Å; L295-V297 HydrophobicContact CD2-CG2 4.07Å; L295-V297 HydrophobicContact CG-CG2 4.03Å; L295-E356 WeakPolarHBondContact O-CA 3.41Å; L295-M357 HydrophobicContact CD2-CE 3.6Å; L295-M357 HydrophobicContact CG-CE 3.94Å; L295-M357 PolarHBondContact N-O 3.21Å; L295-M357 PolarHBondContact O-N 2.96Å; L295-L410 HydrophobicContact CD1-CD2 4.12Å; L295-L413 HydrophobicContact CB-CD2 4.11Å; L295-L413 HydrophobicContact CD1-CD2 4.11Å; L295-L413 HydrophobicContact CD2-CD2 4.14Å; L295-L413 HydrophobicContact CG-CD2 4.34Å; L295-C462 HydrophobicContact CD2-CB 4.16Å; L295-L465 HydrophobicContact CD2-CD1 3.96Å |
| 296 | W | 98.9 | Very high | 97.5 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 6% | 0.064 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126 | 168.5 | -69.6 | -98.8 | 0 | 0 | 0 | 108.8 | L266 L268 V283 Y284 E286 R294 E356 Y371 | L266-W296 HydrophobicContact CD2-CB 4.31Å; L266-W296 HydrophobicContact CD2-CD2 3.98Å; L266-W296 HydrophobicContact CD2-CG 3.88Å; L268-W296 HydrophobicContact CD2-CB 4.25Å; V283-W296 WeakPolarHBondContact CA-O 3.36Å; Y284-W296 HydrophobicContact CD1-CD2 4.33Å; Y284-W296 AromaticContact CD1-CE3 3.59Å; Y284-W296 HydrophobicContact CD1-CE3 3.59Å; Y284-W296 AromaticContact CD1-CZ3 3.79Å; Y284-W296 HydrophobicContact CD1-CZ3 3.79Å; Y284-W296 HydrophobicContact CE1-CE3 4.17Å; Y284-W296 HydrophobicContact CE1-CH2 4.5Å; Y284-W296 AromaticContact CE1-CZ3 3.87Å; Y284-W296 HydrophobicContact CE1-CZ3 3.87Å; Y284-W296 PolarHBondContact N-O 2.96Å; Y284-W296 VanDerWaalsContact N-O 3.1Å; Y284-W296 PolarHBondContact O-N 3.07Å; E286-W296 HydrophobicContact CB-CZ3 4.4Å; E286-W296 HydrophobicContact CG-CZ3 4.14Å; R294-W296 HydrophobicContact CB-CH2 4.16Å; R294-W296 HydrophobicContact CB-CZ3 3.93Å; R294-W296 HydrophobicContact CG-CD2 4.37Å; R294-W296 HydrophobicContact CG-CE3 4.02Å; R294-W296 HydrophobicContact CG-CH2 3.64Å; R294-W296 HydrophobicContact CG-CZ2 3.91Å; R294-W296 HydrophobicContact CG-CZ3 3.63Å; W296-E356 HydrophobicContact CD2-CG 4.25Å; W296-E356 HydrophobicContact CG-CG 4.33Å; W296-E356 HydrophobicContact CZ2-CG 4.4Å; W296-E356 VanDerWaalsContact NE1-CD 3.34Å; W296-E356 PolarHBondContact NE1-OE2 3.5Å; W296-Y371 VanDerWaalsContact CD1-OH 3.24Å; W296-Y371 PolarHBondContact NE1-OH 3.12Å |
| 297 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 106.1 | 168.9 | 175.4 | 0 | 0 | 0 | 0 | 106.9 | V283 L295 I299 V354 C355 M357 C462 M463 A466 T567 | V283-V297 HydrophobicContact CG1-CG2 4.44Å; L295-V297 HydrophobicContact CD1-CG2 4.29Å; L295-V297 HydrophobicContact CD2-CG2 4.07Å; L295-V297 HydrophobicContact CG-CG2 4.03Å; V297-I299 HydrophobicContact CG1-CD1 3.54Å; V297-I299 HydrophobicContact CG1-CG1 4.09Å; V297-V354 WeakPolarHBondContact O-CA 3.08Å; V297-C355 PolarHBondContact N-O 2.98Å; V297-C355 PolarHBondContact O-N 3.19Å; V297-M357 HydrophobicContact CB-CE 4.14Å; V297-M357 HydrophobicContact CG2-CE 3.57Å; V297-C462 HydrophobicContact CG2-CB 4.39Å; V297-M463 HydrophobicContact CG1-CE 3.67Å; V297-M463 HydrophobicContact CG1-SD 3.79Å; V297-M463 HydrophobicContact CG2-CE 4.16Å; V297-A466 HydrophobicContact CB-CB 4.04Å; V297-A466 HydrophobicContact CG1-CB 3.88Å; V297-A466 HydrophobicContact CG2-CB 4.21Å; V297-T567 HydrophobicContact CG1-CG2 4.46Å |
| 298 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L268 D281 A282 L344 C352 V354 M375 | L268-A298 HydrophobicContact CD1-CB 4.19Å; L268-A298 HydrophobicContact CD2-CB 4.27Å; D281-A298 CarbonylContact C-O 3.49Å; D281-A298 WeakPolarHBondContact CA-O 3.29Å; A282-A298 HydrophobicContact CB-CB 4.44Å; A282-A298 PolarHBondContact N-O 2.97Å; A282-A298 PolarHBondContact O-N 3.2Å; A298-L344 WeakPolarHBondContact O-CD1 3.49Å; A298-C352 HydrophobicContact CB-CB 4.18Å; A298-V354 HydrophobicContact CB-CG2 3.93Å; A298-M375 HydrophobicContact CB-SD 3.64Å |
| 299 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.8 | -178.2 | -53.9 | -57.2 | 0 | 0 | 0 | 109.8 | D280 D281 V297 D301 C352 M353 M463 F566 T567 P569 | D280-I299 CarbonylContact O-C 3.44Å; D280-I299 VanDerWaalsContact O-CA 3.27Å; D280-I299 WeakPolarHBondContact O-CA 3.45Å; D281-I299 HydrophobicContact CB-CD1 3.45Å; D281-I299 VanDerWaalsContact CB-CD1 3.45Å; V297-I299 HydrophobicContact CG1-CD1 3.54Å; V297-I299 HydrophobicContact CG1-CG1 4.09Å; I299-D301 PolarHBondContact O-N 3.43Å; I299-C352 CarbonylContact O-C 3.57Å; I299-C352 WeakPolarHBondContact O-CA 3.33Å; I299-C352 VanDerWaalsContact O-CB 3.24Å; I299-C352 WeakPolarHBondContact O-CB 3.31Å; I299-M353 PolarHBondContact N-O 3.34Å; I299-M353 PolarHBondContact O-N 2.89Å; I299-M463 HydrophobicContact CD1-SD 4.25Å; I299-F566 HydrophobicContact CB-CE1 4.32Å; I299-F566 HydrophobicContact CB-CZ 4.41Å; I299-F566 HydrophobicContact CG1-CD1 4.05Å; I299-F566 HydrophobicContact CG1-CE1 3.48Å; I299-F566 VanDerWaalsContact CG1-CE1 3.48Å; I299-F566 HydrophobicContact CG1-CZ 4.04Å; I299-T567 HydrophobicContact CD1-CG2 3.93Å; I299-T567 HydrophobicContact CG1-CG2 4.43Å; I299-P569 HydrophobicContact CG2-CG 3.66Å |
| 300 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -42.2 | 124.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D280 V302 C342 P569 I570 H579 | D280-A300 PolarHBondContact O-N 2.98Å; A300-V302 HydrophobicContact CB-CG2 4.05Å; A300-V302 PolarHBondContact O-N 3.15Å; A300-C342 HydrophobicContact CB-CB 4.49Å; A300-C342 WeakPolarHBondContact CB-O 3.44Å; A300-P569 WeakPolarHBondContact O-CG 3.39Å; A300-I570 HydrophobicContact CB-CD1 3.84Å; A300-I570 HydrophobicContact CB-CG1 4.1Å; A300-H579 PolarHBondContact O-CE1 3.43Å |
| 301 | D | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -81.2 | 63.7 | -179.5 | -167.5 | -3 | 0 | 0 | 0 | 112.3 | R260 I299 S303 Y304 Y305 L351 K583 | R260-D301 IonicContact CZ-OD2 2.68Å; R260-D301 VanDerWaalsContact CZ-OD2 3.28Å; R260-D301 IonicContact NH1-OD2 3.1Å; R260-D301 PolarHBondContact NH1-OD2 2.89Å; R260-D301 IonicContact NH2-OD2 2.76Å; R260-D301 PolarHBondContact NH2-OD2 3.38Å; I299-D301 PolarHBondContact O-N 3.43Å; D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 3.42Å; D301-S303 PolarHBondContact OD1-OG 2.88Å; D301-Y304 WeakPolarHBondContact O-CB 3.3Å; D301-Y304 PolarHBondContact O-N 2.97Å; D301-Y304 PolarHBondContact OD1-N 3.35Å; D301-Y305 WeakPolarHBondContact O-CD2 3.14Å; D301-L351 HydrophobicContact CB-CB 3.93Å; D301-L351 WeakPolarHBondContact CB-O 3.08Å; D301-L351 PolarHBondContact N-O 2.98Å; D301-L351 VanDerWaalsContact N-O 3.11Å; D301-K583 WeakPolarHBondContact OD1-CE 3.49Å; D301-K583 IonicContact OD1-NZ 2.84Å; D301-K583 PolarHBondContact OD1-NZ 2.99Å; D301-K583 IonicContact OD2-NZ 2.78Å; D301-K583 PolarHBondContact OD2-NZ 3.4Å | ||
| 302 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64 | -35.9 | -176.4 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | A300 Y304 Y305 V306 L333 C342 P569 I570 L576 | A300-V302 HydrophobicContact CB-CG2 4.05Å; A300-V302 PolarHBondContact O-N 3.15Å; V302-Y304 PolarHBondContact O-N 2.86Å; V302-Y305 PolarHBondContact O-N 3.41Å; V302-V306 HydrophobicContact CG1-CB 4.33Å; V302-V306 HydrophobicContact CG1-CG2 3.85Å; V302-V306 PolarHBondContact O-N 2.86Å; V302-L333 HydrophobicContact CG1-CD1 3.48Å; V302-L333 VanDerWaalsContact CG1-CD1 3.48Å; V302-C342 HydrophobicContact CG2-CB 4.07Å; V302-P569 HydrophobicContact CB-CB 3.97Å; V302-P569 HydrophobicContact CB-CG 4.17Å; V302-P569 HydrophobicContact CG2-CB 3.9Å; V302-P569 HydrophobicContact CG2-CG 3.68Å; V302-I570 HydrophobicContact CG2-CB 4.44Å; V302-I570 HydrophobicContact CG2-CG1 3.53Å; V302-L576 HydrophobicContact CB-CD1 3.91Å; V302-L576 HydrophobicContact CG1-CD1 3.65Å; V302-L576 HydrophobicContact CG1-CD2 4.35Å |
| 303 | S | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -24.6 | 178.8 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | D301 R307 K583 | D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 3.42Å; D301-S303 PolarHBondContact OD1-OG 2.88Å; S303-R307 WeakPolarHBondContact O-CD 3.47Å; S303-R307 PolarHBondContact O-NE 2.84Å; S303-K583 WeakPolarHBondContact OG-CD 3.43Å; S303-K583 WeakPolarHBondContact OG-CE 3.22Å; S303-K583 PolarHBondContact OG-NZ 2.74Å |
| 304 | Y | 98.5 | Very high | 98.4 | Very high | 57 Ų | 57 | 29.4 Ų | 29.4 | 22% | 0.224 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 172.1 | 178.4 | -92.9 | 0 | 0 | 0 | 112.4 | A256 D301 V302 R307 L351 T599 | A256-Y304 HydrophobicContact CB-CE1 4.3Å; A256-Y304 VanDerWaalsContact CB-OH 3.23Å; A256-Y304 WeakPolarHBondContact CB-OH 3.49Å; D301-Y304 WeakPolarHBondContact O-CB 3.3Å; D301-Y304 PolarHBondContact O-N 2.97Å; D301-Y304 PolarHBondContact OD1-N 3.35Å; V302-Y304 PolarHBondContact O-N 2.86Å; Y304-R307 PolarHBondContact O-NE 3.22Å; Y304-R307 PolarHBondContact O-NH2 3.31Å; Y304-R307 VanDerWaalsContact O-NH2 3.13Å; Y304-L351 HydrophobicContact CD1-CD1 3.51Å; Y304-L351 HydrophobicContact CD2-CD1 4.45Å; Y304-L351 HydrophobicContact CE1-CD1 3.57Å; Y304-L351 HydrophobicContact CE2-CD1 4.49Å; Y304-L351 HydrophobicContact CG-CD1 3.98Å; Y304-T599 WeakPolarHBondContact CA-O 3.47Å |
| 305 | Y | 98.1 | Very high | 98.4 | Very high | 29 Ų | 29 | 25.9 Ų | 25.9 | 11% | 0.114 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -89.5 | -32.1 | -179.5 | -60.4 | -77.1 | 0 | 0 | 0 | 113.1 | D301 V302 L337 L341 C342 L351 | D301-Y305 WeakPolarHBondContact O-CD2 3.14Å; V302-Y305 PolarHBondContact O-N 3.41Å; Y305-L337 HydrophobicContact CD1-CD2 4.32Å; Y305-L337 HydrophobicContact CG-CD2 4.15Å; Y305-L341 HydrophobicContact CD1-CD1 4.21Å; Y305-L341 HydrophobicContact CE1-CB 4.06Å; Y305-L341 HydrophobicContact CE1-CD1 3.8Å; Y305-L341 HydrophobicContact CE1-CG 4.39Å; Y305-L341 HydrophobicContact CE2-CB 4.31Å; Y305-C342 VanDerWaalsContact CD2-SG 3.54Å; Y305-L351 HydrophobicContact CE2-CD1 4.48Å |
| 306 | V | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -109.6 | 90.6 | -175.6 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | V302 L312 D313 L333 L576 R580 | V302-V306 HydrophobicContact CG1-CB 4.33Å; V302-V306 HydrophobicContact CG1-CG2 3.85Å; V302-V306 PolarHBondContact O-N 2.86Å; V306-L312 HydrophobicContact CG1-CB 4.03Å; V306-L312 HydrophobicContact CG2-CB 4.48Å; V306-D313 HydrophobicContact CG1-CB 4.01Å; V306-L333 HydrophobicContact CG1-CD2 4.47Å; V306-L333 HydrophobicContact CG2-CD1 4.15Å; V306-L333 HydrophobicContact CG2-CD2 3.83Å; V306-L576 HydrophobicContact CB-CD2 4.15Å; V306-L576 HydrophobicContact CG1-CD2 3.87Å; V306-R580 PolarHBondContact O-NH2 3.43Å |
| 307 | R | 98.2 | Very high | 98.3 | Very high | 69 Ų | 69 | 28.9 Ų | 28.9 | 26% | 0.26 | 14% | 0.137 | S | C | . | . | trans | -92.6 | 141.6 | -174.8 | -56.8 | -65.4 | 179.9 | 93.8 | 1.9 | 112.5 | S303 Y304 T310 D313 E598 G600 | S303-R307 WeakPolarHBondContact O-CD 3.47Å; S303-R307 PolarHBondContact O-NE 2.84Å; Y304-R307 PolarHBondContact O-NE 3.22Å; Y304-R307 PolarHBondContact O-NH2 3.31Å; Y304-R307 VanDerWaalsContact O-NH2 3.13Å; R307-T310 HydrophobicContact CB-CG2 3.92Å; R307-T310 WeakPolarHBondContact O-CB 3.38Å; R307-T310 VanDerWaalsContact O-CG2 3.25Å; R307-T310 WeakPolarHBondContact O-CG2 3.22Å; R307-T310 PolarHBondContact O-N 3.31Å; R307-T310 PolarHBondContact O-OG1 3.27Å; R307-D313 VanDerWaalsContact O-CB 3.3Å; R307-D313 WeakPolarHBondContact O-CB 3.43Å; R307-E598 VanDerWaalsContact CZ-O 3.29Å; R307-E598 PolarHBondContact NH1-O 2.95Å; R307-E598 PolarHBondContact NH2-O 2.91Å; R307-E598 VanDerWaalsContact NH2-O 3.08Å; R307-G600 VanDerWaalsContact CD-CA 3.44Å | ||
| 308 | P | 97.4 | Very high | 98.3 | Very high | 30 Ų | 30 | 32.2 Ų | 32.2 | 20% | 0.195 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 142.1 | 163.6 | -19.4 | 33.1 | 0 | 0 | 0 | 111.1 | Y602 | P308-Y602 HydrophobicContact CB-CD2 3.95Å; P308-Y602 HydrophobicContact CB-CE2 4.07Å; P308-Y602 HydrophobicContact CB-CG 4.36Å; P308-Y602 HydrophobicContact CG-CD1 4.47Å; P308-Y602 HydrophobicContact CG-CD2 3.88Å; P308-Y602 HydrophobicContact CG-CE2 4.48Å; P308-Y602 HydrophobicContact CG-CG 3.9Å |
| 309 | P | 95.8 | Very high | 98.3 | Very high | 102 Ų | 102 | 32.6 Ų | 32.6 | 66% | 0.662 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -102.2 | 55.8 | -14.4 | 38.7 | -31.9 | 0 | 0 | 0 | 111.5 | R314 | P309-R314 PolarHBondContact O-NH1 3.34Š|
| 310 | T | 98.3 | Very high | 98.2 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 21% | 0.209 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -71.3 | 164.2 | -174.5 | 70.9 | 0 | 0 | 0 | 0 | 112.9 | Q244 R307 L312 D313 R314 | Q244-T310 VanDerWaalsContact NE2-CB 3.29Å; Q244-T310 PolarHBondContact NE2-OG1 3.05Å; Q244-T310 VanDerWaalsContact NE2-OG1 3.11Å; Q244-T310 PolarHBondContact OE1-OG1 2.84Å; R307-T310 HydrophobicContact CB-CG2 3.92Å; R307-T310 WeakPolarHBondContact O-CB 3.38Å; R307-T310 VanDerWaalsContact O-CG2 3.25Å; R307-T310 WeakPolarHBondContact O-CG2 3.22Å; R307-T310 PolarHBondContact O-N 3.31Å; R307-T310 PolarHBondContact O-OG1 3.27Å; T310-L312 VanDerWaalsContact C-N 3.3Å; T310-L312 PolarHBondContact O-N 3.48Å; T310-D313 WeakPolarHBondContact O-CB 3.28Å; T310-D313 PolarHBondContact O-N 2.98Å; T310-R314 PolarHBondContact O-N 3.39Å |
| 311 | P | 98.3 | Very high | 98.2 | Very high | 33 Ų | 33 | 34.1 Ų | 34.1 | 21% | 0.214 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -48.6 | -46.3 | 172.3 | -28.5 | 32.8 | 0 | 0 | 0 | 114.5 | A240 V241 D313 R314 E315 | A240-P311 HydrophobicContact CB-CB 3.97Å; A240-P311 HydrophobicContact CB-CG 4Å; A240-P311 WeakPolarHBondContact O-CB 3.39Å; V241-P311 HydrophobicContact CG2-CB 4.05Å; P311-D313 VanDerWaalsContact C-N 3.34Å; P311-D313 PolarHBondContact O-N 3.39Å; P311-R314 PolarHBondContact O-N 3.33Å; P311-E315 PolarHBondContact O-N 3.32Å |
| 312 | L | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.6 | -43.8 | 175 | -81.1 | 169.1 | 0 | 0 | 0 | 112.9 | V241 Q244 V245 V306 T310 E315 A316 P334 L337 | V241-L312 HydrophobicContact CG1-CD2 3.75Å; V241-L312 HydrophobicContact CG1-CG 4.43Å; Q244-L312 HydrophobicContact CG-CD1 4.03Å; Q244-L312 HydrophobicContact CG-CG 4.34Å; V245-L312 HydrophobicContact CG1-CD1 4.02Å; V245-L312 HydrophobicContact CG1-CD2 3.85Å; V245-L312 HydrophobicContact CG1-CG 4.26Å; V306-L312 HydrophobicContact CG1-CB 4.03Å; V306-L312 HydrophobicContact CG2-CB 4.48Å; T310-L312 VanDerWaalsContact C-N 3.3Å; T310-L312 PolarHBondContact O-N 3.48Å; L312-E315 PolarHBondContact O-N 3.08Å; L312-A316 VanDerWaalsContact O-CB 3.22Å; L312-A316 WeakPolarHBondContact O-CB 3.47Å; L312-A316 PolarHBondContact O-N 3.01Å; L312-P334 HydrophobicContact CD2-CG 3.8Å; L312-L337 HydrophobicContact CD1-CD1 3.54Å; L312-L337 HydrophobicContact CD2-CD1 3.88Å; L312-L337 HydrophobicContact CG-CD1 4.39Å |
| 313 | D | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.9 | -43.1 | 179.8 | 173 | 57.5 | 0 | 0 | 0 | 111.9 | V306 R307 T310 P311 E315 A316 R317 Y573 R580 | V306-D313 HydrophobicContact CG1-CB 4.01Å; R307-D313 VanDerWaalsContact O-CB 3.3Å; R307-D313 WeakPolarHBondContact O-CB 3.43Å; T310-D313 WeakPolarHBondContact O-CB 3.28Å; T310-D313 PolarHBondContact O-N 2.98Å; P311-D313 VanDerWaalsContact C-N 3.34Å; P311-D313 PolarHBondContact O-N 3.39Å; D313-E315 VanDerWaalsContact C-N 3.34Å; D313-E315 PolarHBondContact O-N 3.07Å; D313-A316 PolarHBondContact O-N 2.85Å; D313-R317 WeakPolarHBondContact O-CB 3.41Å; D313-R317 PolarHBondContact O-N 3.28Å; D313-Y573 WeakPolarHBondContact OD1-CE2 3.5Å; D313-Y573 PolarHBondContact OD1-OH 3.02Å; D313-R580 IonicContact OD1-CZ 3.6Å; D313-R580 IonicContact OD1-NH1 3.72Å; D313-R580 PolarHBondContact OD1-NH1 3.34Å; D313-R580 IonicContact OD1-NH2 3.84Å; D313-R580 PolarHBondContact OD1-NH2 3.44Å |
| 314 | R | 98.4 | Very high | 97.9 | Very high | 140 Ų | 140 | 39.3 Ų | 39.3 | 53% | 0.528 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.9 | -67.6 | -169.2 | -61.6 | -96.2 | 6.2 | 111.9 | P309 T310 P311 N318 | P309-R314 PolarHBondContact O-NH1 3.34Å; T310-R314 PolarHBondContact O-N 3.39Å; P311-R314 PolarHBondContact O-N 3.33Å; R314-N318 WeakPolarHBondContact O-CB 3.35Å; R314-N318 PolarHBondContact O-N 2.84Å |
| 315 | E | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.6 | -38.7 | 179.3 | -176.9 | 58.9 | -171.4 | 0 | 0 | 112.3 | W237 P238 V241 P311 L312 D313 R317 N318 R319 | W237-E315 HydrophobicContact CE3-CG 3.96Å; W237-E315 HydrophobicContact CZ3-CG 3.77Å; P238-E315 HydrophobicContact CG-CG 4.31Å; V241-E315 HydrophobicContact CG2-CB 3.87Å; V241-E315 HydrophobicContact CG2-CG 4.37Å; P311-E315 PolarHBondContact O-N 3.32Å; L312-E315 PolarHBondContact O-N 3.08Å; D313-E315 VanDerWaalsContact C-N 3.34Å; D313-E315 PolarHBondContact O-N 3.07Å; E315-R317 VanDerWaalsContact C-N 3.29Å; E315-R317 PolarHBondContact O-N 3.06Å; E315-N318 WeakPolarHBondContact O-CB 3.48Å; E315-N318 PolarHBondContact O-N 2.96Å; E315-N318 VanDerWaalsContact O-N 3.15Å; E315-N318 PolarHBondContact OE2-ND2 2.85Å; E315-R319 WeakPolarHBondContact O-CG 3.41Å; E315-R319 PolarHBondContact O-N 3.21Å; E315-R319 IonicContact OE1-CZ 2.89Å; E315-R319 IonicContact OE1-NE 3.36Å; E315-R319 PolarHBondContact OE1-NE 3.37Å; E315-R319 IonicContact OE1-NH2 2.97Å; E315-R319 PolarHBondContact OE1-NH2 3.49Å |
| 316 | A | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L312 D313 G320 M332 L333 Y573 | L312-A316 VanDerWaalsContact O-CB 3.22Å; L312-A316 WeakPolarHBondContact O-CB 3.47Å; L312-A316 PolarHBondContact O-N 3.01Å; D313-A316 PolarHBondContact O-N 2.85Å; A316-G320 PolarHBondContact O-N 2.82Å; A316-M332 HydrophobicContact CB-CG 4.05Å; A316-L333 HydrophobicContact CB-CD2 3.73Å; A316-Y573 VanDerWaalsContact C-CD2 3.48Å; A316-Y573 HydrophobicContact CB-CD2 3.83Å; A316-Y573 HydrophobicContact CB-CE2 3.98Å |
| 317 | R | 98.5 | Very high | 96 | Very high | 81 Ų | 81 | 39.4 Ų | 39.4 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.2 | -48 | 172.4 | -171.5 | 176.4 | 175.3 | 173.7 | 2.3 | 110.9 | D313 E315 R319 G320 Y573 L612 H615 | D313-R317 WeakPolarHBondContact O-CB 3.41Å; D313-R317 PolarHBondContact O-N 3.28Å; E315-R317 VanDerWaalsContact C-N 3.29Å; E315-R317 PolarHBondContact O-N 3.06Å; R317-R319 VanDerWaalsContact C-N 3.35Å; R317-R319 PolarHBondContact O-N 2.84Å; R317-G320 PolarHBondContact O-N 3.35Å; R317-Y573 HydrophobicContact CB-CD1 4.45Å; R317-Y573 HydrophobicContact CB-CD2 4.29Å; R317-Y573 HydrophobicContact CB-CE1 3.92Å; R317-Y573 HydrophobicContact CB-CE2 3.73Å; R317-Y573 HydrophobicContact CG-CD1 4.36Å; R317-Y573 HydrophobicContact CG-CE1 3.82Å; R317-L612 HydrophobicContact CG-CD2 4.08Å; R317-L612 VanDerWaalsContact NE-CD2 3.34Å; R317-H615 PolarHBondContact O-CD2 3.47Å; R317-H615 PolarHBondContact O-NE2 3.3Å |
| 318 | N | 98.1 | Very high | 95.5 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.1 | -46.4 | -179.6 | -176.9 | 28.6 | 0 | 0 | 0 | 112.4 | P234 R314 E315 R622 | P234-N318 WeakPolarHBondContact CG-ND2 3.49Å; R314-N318 WeakPolarHBondContact O-CB 3.35Å; R314-N318 PolarHBondContact O-N 2.84Å; E315-N318 WeakPolarHBondContact O-CB 3.48Å; E315-N318 PolarHBondContact O-N 2.96Å; E315-N318 VanDerWaalsContact O-N 3.15Å; E315-N318 PolarHBondContact OE2-ND2 2.85Å; N318-R622 PolarHBondContact O-NH2 3.02Å |
| 319 | R | 98.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 41 Ų | 41 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.5 | -45.1 | 175.2 | -68 | -179.8 | -175 | -133.7 | -5.9 | 111.9 | P234 Y235 I236 W237 E315 R317 T321 P331 M332 R622 | P234-R319 HydrophobicContact CB-CG 3.92Å; P234-R319 HydrophobicContact CG-CG 4.19Å; P234-R319 PolarHBondContact O-NE 3.06Å; Y235-R319 PolarHBondContact O-NH2 3.39Å; I236-R319 PolarHBondContact O-NH2 2.87Å; W237-R319 VanDerWaalsContact CH2-NH1 3.3Å; E315-R319 WeakPolarHBondContact O-CG 3.41Å; E315-R319 PolarHBondContact O-N 3.21Å; E315-R319 IonicContact OE1-CZ 2.89Å; E315-R319 IonicContact OE1-NE 3.36Å; E315-R319 PolarHBondContact OE1-NE 3.37Å; E315-R319 IonicContact OE1-NH2 2.97Å; E315-R319 PolarHBondContact OE1-NH2 3.49Å; R317-R319 VanDerWaalsContact C-N 3.35Å; R317-R319 PolarHBondContact O-N 2.84Å; R319-T321 PolarHBondContact O-N 3.13Å; R319-P331 WeakPolarHBondContact CD-O 3.45Å; R319-P331 PolarHBondContact NH1-O 2.92Å; R319-M332 HydrophobicContact CB-CG 4.33Å; R319-R622 PolarHBondContact O-NH2 3.09Å |
| 320 | G | 98.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | 77.3 | -36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A316 R317 Y573 | A316-G320 PolarHBondContact O-N 2.82Å; R317-G320 PolarHBondContact O-N 3.35Å; G320-Y573 VanDerWaalsContact O-CB 3.31Å; G320-Y573 WeakPolarHBondContact O-CB 3.41Å; G320-Y573 PolarHBondContact O-N 3Å | ||
| 321 | T | 98.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 18% | 0.178 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -152.7 | 157.5 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | R319 R571 A623 | R319-T321 PolarHBondContact O-N 3.13Å; T321-R571 CarbonylContact C-O 3.57Å; T321-R571 VanDerWaalsContact CA-O 3.23Å; T321-R571 WeakPolarHBondContact CA-O 3.29Å; T321-R571 PolarHBondContact OG1-O 3.3Å; T321-R571 VanDerWaalsContact OG1-O 3.1Å; T321-A623 HydrophobicContact CG2-CB 3.94Å |
| 322 | S | 97.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | trans | -67.6 | 147.2 | 162.6 | -62.8 | 0 | 0 | 0 | 0 | 109.7 | I330 M332 R571 | S322-I330 CarbonylContact C-O 3.45Å; S322-I330 WeakPolarHBondContact CA-O 3.48Å; S322-M332 PolarHBondContact OG-N 2.89Å; S322-R571 PolarHBondContact N-O 3.45Å; S322-R571 WeakPolarHBondContact OG-CA 3.34Å; S322-R571 WeakPolarHBondContact OG-CB 3.46Å | ||
| 323 | V | 97.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.5 | 178.1 | -172 | 0 | 0 | 0 | 0 | 109.4 | I233 F325 V329 I330 A623 T627 | I233-V323 HydrophobicContact CD1-CG1 4.22Å; I233-V323 HydrophobicContact CD1-CG2 4.29Å; I233-V323 HydrophobicContact CG2-CG2 3.96Å; V323-F325 HydrophobicContact CB-CE2 4.17Å; V323-F325 HydrophobicContact CG1-CD2 4Å; V323-F325 HydrophobicContact CG1-CE2 3.5Å; V323-F325 VanDerWaalsContact CG1-CE2 3.5Å; V323-F325 HydrophobicContact CG1-CZ 3.82Å; V323-V329 WeakPolarHBondContact O-CA 3.35Å; V323-I330 HydrophobicContact CB-CB 4.28Å; V323-I330 PolarHBondContact N-O 3.29Å; V323-I330 PolarHBondContact O-N 3.09Å; V323-A623 HydrophobicContact CB-CB 4.44Å; V323-A623 HydrophobicContact CG1-CB 4.13Å; V323-A623 HydrophobicContact CG2-CB 3.81Å; V323-T627 HydrophobicContact CG1-CG2 3.66Å |
| 324 | Y | 93.3 | Very high | 95.2 | Very high | 97 Ų | 97 | 33.8 Ų | 33.8 | 38% | 0.38 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 87.9 | -175.7 | -64.6 | -94.8 | 0 | 0 | 0 | 109.9 | D278 V329 R571 T627 | D278-Y324 PolarHBondContact OD2-OH 3Å; Y324-V329 HydrophobicContact CD1-CB 4.39Å; Y324-V329 HydrophobicContact CD1-CG1 3.93Å; Y324-V329 HydrophobicContact CD1-CG2 3.58Å; Y324-V329 HydrophobicContact CE1-CG1 3.84Å; Y324-V329 HydrophobicContact CE1-CG2 3.93Å; Y324-V329 HydrophobicContact CG-CG1 4.47Å; Y324-V329 HydrophobicContact CG-CG2 4.49Å; Y324-R571 WeakPolarHBondContact OH-CD 3.44Å; Y324-T627 VanDerWaalsContact O-CG2 3.23Å; Y324-T627 WeakPolarHBondContact O-CG2 3.25Å |
| 325 | F | 92.6 | Very high | 95 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 156.7 | 169.2 | -66.7 | -81.9 | 0 | 0 | 0 | 110.2 | V224 A227 L228 I233 V323 S327 Q328 I330 A626 T627 V630 | V224-F325 HydrophobicContact CG1-CD1 4.4Å; V224-F325 HydrophobicContact CG1-CD2 3.99Å; V224-F325 HydrophobicContact CG1-CE2 4.17Å; V224-F325 HydrophobicContact CG1-CG 4.11Å; V224-F325 HydrophobicContact CG1-CZ 4.43Å; V224-F325 HydrophobicContact CG2-CB 4.13Å; V224-F325 HydrophobicContact CG2-CD1 4.22Å; V224-F325 HydrophobicContact CG2-CG 4.15Å; A227-F325 HydrophobicContact CB-CE1 4.05Å; A227-F325 HydrophobicContact CB-CZ 4.48Å; L228-F325 HydrophobicContact CD2-CE2 3.63Å; L228-F325 HydrophobicContact CD2-CZ 3.83Å; L228-F325 HydrophobicContact CG-CE2 4.24Å; L228-F325 HydrophobicContact CG-CZ 4.23Å; I233-F325 HydrophobicContact CD1-CZ 4.24Å; V323-F325 HydrophobicContact CB-CE2 4.17Å; V323-F325 HydrophobicContact CG1-CD2 4Å; V323-F325 HydrophobicContact CG1-CE2 3.5Å; V323-F325 VanDerWaalsContact CG1-CE2 3.5Å; V323-F325 HydrophobicContact CG1-CZ 3.82Å; F325-S327 PolarHBondContact O-N 2.84Å; F325-S327 VanDerWaalsContact O-N 3.1Å; F325-Q328 CarbonylContact C-O 3.52Å; F325-Q328 WeakPolarHBondContact CA-O 3.07Å; F325-Q328 VanDerWaalsContact CB-O 3.31Å; F325-Q328 WeakPolarHBondContact CB-O 3.29Å; F325-Q328 PolarHBondContact N-O 2.98Å; F325-Q328 PolarHBondContact O-N 2.78Å; F325-Q328 VanDerWaalsContact O-N 3.12Å; F325-I330 HydrophobicContact CD2-CG1 4.01Å; F325-I330 HydrophobicContact CE2-CG1 3.88Å; F325-A626 HydrophobicContact CE1-CB 4.04Å; F325-A626 HydrophobicContact CZ-CB 4.02Å; F325-T627 HydrophobicContact CD1-CG2 4.15Å; F325-T627 HydrophobicContact CE1-CG2 4.34Å; F325-T627 HydrophobicContact CG-CG2 4.47Å; F325-V630 HydrophobicContact CD1-CB 4.02Å; F325-V630 HydrophobicContact CD1-CG1 4.46Å; F325-V630 HydrophobicContact CD1-CG2 3.56Å; F325-V630 HydrophobicContact CE1-CG2 3.68Å |
| 326 | P | 84.2 | Confident | 94.8 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 120.7 | 173.3 | -16.8 | 29.8 | 0 | 0 | 0 | 110.1 | Q328 F436 F438 V630 L634 | P326-Q328 VanDerWaalsContact C-N 3.33Å; P326-Q328 PolarHBondContact O-N 3.36Å; P326-F436 HydrophobicContact CB-CD2 4.31Å; P326-F436 HydrophobicContact CG-CD2 4.44Å; P326-F438 HydrophobicContact CB-CE1 4.19Å; P326-F438 HydrophobicContact CB-CE2 3.97Å; P326-F438 HydrophobicContact CB-CZ 3.33Å; P326-V630 HydrophobicContact CG-CG1 4.28Å; P326-L634 HydrophobicContact CB-CD1 3.66Å; P326-L634 HydrophobicContact CG-CD1 3.73Å |
| 327 | S | 78.5 | Confident | 94.6 | Very high | 59 Ų | 59 | 34.5 Ų | 34.5 | 41% | 0.413 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 0.9 | -174.1 | 79 | 0 | 0 | 0 | 0 | 118.3 | F325 | F325-S327 PolarHBondContact O-N 2.84Å; F325-S327 VanDerWaalsContact O-N 3.1Å |
| 328 | Q | 88.1 | Confident | 94.4 | Very high | 67 Ų | 67 | 30.7 Ų | 30.7 | 31% | 0.313 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 134.1 | -179 | -178.2 | 172.9 | -13.1 | 0 | 0 | 112.1 | F325 P326 I330 | F325-Q328 CarbonylContact C-O 3.52Å; F325-Q328 WeakPolarHBondContact CA-O 3.07Å; F325-Q328 VanDerWaalsContact CB-O 3.31Å; F325-Q328 WeakPolarHBondContact CB-O 3.29Å; F325-Q328 PolarHBondContact N-O 2.98Å; F325-Q328 PolarHBondContact O-N 2.78Å; F325-Q328 VanDerWaalsContact O-N 3.12Å; P326-Q328 VanDerWaalsContact C-N 3.33Å; P326-Q328 PolarHBondContact O-N 3.36Å; Q328-I330 HydrophobicContact CG-CD1 4.45Å |
| 329 | V | 92.7 | Very high | 94.1 | Very high | 66 Ų | 66 | 30.3 Ų | 30.3 | 40% | 0.4 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.8 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | V323 Y324 P331 | V323-V329 WeakPolarHBondContact O-CA 3.35Å; Y324-V329 HydrophobicContact CD1-CB 4.39Å; Y324-V329 HydrophobicContact CD1-CG1 3.93Å; Y324-V329 HydrophobicContact CD1-CG2 3.58Å; Y324-V329 HydrophobicContact CE1-CG1 3.84Å; Y324-V329 HydrophobicContact CE1-CG2 3.93Å; Y324-V329 HydrophobicContact CG-CG1 4.47Å; Y324-V329 HydrophobicContact CG-CG2 4.49Å; V329-P331 WeakPolarHBondContact O-CD 3.48Å |
| 330 | I | 96.7 | Very high | 94 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 98.6 | 165.2 | -53.4 | -58.7 | 0 | 0 | 0 | 106.5 | L228 S322 V323 F325 Q328 | L228-I330 HydrophobicContact CD1-CD1 4.37Å; L228-I330 HydrophobicContact CD2-CG1 4.05Å; S322-I330 CarbonylContact C-O 3.45Å; S322-I330 WeakPolarHBondContact CA-O 3.48Å; V323-I330 HydrophobicContact CB-CB 4.28Å; V323-I330 PolarHBondContact N-O 3.29Å; V323-I330 PolarHBondContact O-N 3.09Å; F325-I330 HydrophobicContact CD2-CG1 4.01Å; F325-I330 HydrophobicContact CE2-CG1 3.88Å; Q328-I330 HydrophobicContact CG-CD1 4.45Å |
| 331 | P | 97.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | trans | -77.6 | 151.2 | -170 | 32 | -35.3 | 0 | 0 | 0 | 111.2 | W237 R319 V329 L333 E335 | W237-P331 WeakPolarHBondContact CH2-O 3.48Å; W237-P331 HydrophobicContact CZ2-CG 4.09Å; R319-P331 WeakPolarHBondContact CD-O 3.45Å; R319-P331 PolarHBondContact NH1-O 2.92Å; V329-P331 WeakPolarHBondContact O-CD 3.48Å; P331-L333 VanDerWaalsContact C-N 3.27Å; P331-L333 VanDerWaalsContact CB-O 3.3Å; P331-L333 WeakPolarHBondContact CB-O 3.48Å; P331-L333 WeakPolarHBondContact CG-O 3.43Å; P331-E335 HydrophobicContact CG-CG 4.37Å; P331-E335 WeakPolarHBondContact CG-OE1 3.36Å | ||
| 332 | M | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -66.3 | -32.2 | 173.8 | -174.5 | 179.3 | 78 | 0 | 0 | 112 | A316 R319 S322 P569 I570 Y573 | A316-M332 HydrophobicContact CB-CG 4.05Å; R319-M332 HydrophobicContact CB-CG 4.33Å; S322-M332 PolarHBondContact OG-N 2.89Å; M332-P569 VanDerWaalsContact CE-O 3.23Å; M332-P569 WeakPolarHBondContact CE-O 3.33Å; M332-I570 WeakPolarHBondContact CE-O 3.48Å; M332-Y573 PolarHBondContact SD-N 3.45Å |
| 333 | L | 98.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -121 | 151.2 | 179.7 | -62.7 | 174.8 | 0 | 0 | 0 | 110.5 | V302 V306 A316 P331 | V302-L333 HydrophobicContact CG1-CD1 3.48Å; V302-L333 VanDerWaalsContact CG1-CD1 3.48Å; V306-L333 HydrophobicContact CG1-CD2 4.47Å; V306-L333 HydrophobicContact CG2-CD1 4.15Å; V306-L333 HydrophobicContact CG2-CD2 3.83Å; A316-L333 HydrophobicContact CB-CD2 3.73Å; P331-L333 VanDerWaalsContact C-N 3.27Å; P331-L333 VanDerWaalsContact CB-O 3.3Å; P331-L333 WeakPolarHBondContact CB-O 3.48Å; P331-L333 WeakPolarHBondContact CG-O 3.43Å |
| 334 | P | 97.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | trans | -57.3 | 146.5 | 175.9 | -27.1 | 36.7 | 0 | 0 | 0 | 112.9 | W237 V241 V245 L312 V336 L337 S338 | W237-P334 HydrophobicContact CD2-CG 4.21Å; W237-P334 HydrophobicContact CE3-CG 4.03Å; W237-P334 HydrophobicContact CH2-CG 3.95Å; W237-P334 HydrophobicContact CZ2-CB 4.29Å; W237-P334 HydrophobicContact CZ2-CG 4.09Å; W237-P334 HydrophobicContact CZ3-CG 3.91Å; V241-P334 HydrophobicContact CG1-CG 3.59Å; V245-P334 HydrophobicContact CG1-CB 4.32Å; V245-P334 HydrophobicContact CG1-CG 4.09Å; L312-P334 HydrophobicContact CD2-CG 3.8Å; P334-V336 HydrophobicContact CB-CG1 4.24Å; P334-V336 PolarHBondContact O-N 3.15Å; P334-V336 VanDerWaalsContact O-N 3.16Å; P334-L337 WeakPolarHBondContact O-CA 3.26Å; P334-L337 WeakPolarHBondContact O-CB 3.34Å; P334-L337 PolarHBondContact O-N 2.69Å; P334-S338 PolarHBondContact O-N 2.88Å | ||
| 335 | E | 93.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 26.5 Ų | 26.5 | 42% | 0.421 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.1 | -32 | -171.8 | -67.9 | 81.5 | 174.8 | 0 | 0 | 113.2 | P331 L337 S338 N339 | P331-E335 HydrophobicContact CG-CG 4.37Å; P331-E335 WeakPolarHBondContact CG-OE1 3.36Å; E335-L337 PolarHBondContact O-N 3.33Å; E335-S338 WeakPolarHBondContact CA-OG 3.46Å; E335-S338 PolarHBondContact O-N 2.97Å; E335-N339 WeakPolarHBondContact O-CB 3.37Å; E335-N339 PolarHBondContact O-N 3.25Å |
| 336 | V | 93.8 | Very high | 94.1 | Very high | 77 Ų | 77 | 28.3 Ų | 28.3 | 47% | 0.467 | 17% | 0.166 | S | C | . | . | I | π-helix | trans | -60.4 | -29.7 | 175 | 65.7 | 0 | 0 | 0 | 0 | 112.6 | V245 P334 G340 | V245-V336 HydrophobicContact CB-CG1 3.84Å; V245-V336 HydrophobicContact CG1-CG1 4.23Å; V245-V336 HydrophobicContact CG2-CG1 4.16Å; P334-V336 HydrophobicContact CB-CG1 4.24Å; P334-V336 PolarHBondContact O-N 3.15Å; P334-V336 VanDerWaalsContact O-N 3.16Å; V336-G340 WeakPolarHBondContact O-CA 3.47Å |
| 337 | L | 95 | Very high | 94.7 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -87.5 | -55.8 | 171.9 | -77.5 | 171.7 | 0 | 0 | 0 | 110.7 | V245 L248 Y305 L312 P334 E335 N339 G340 L341 C342 | V245-L337 HydrophobicContact CG1-CD1 4.14Å; L248-L337 HydrophobicContact CD1-CD1 4.13Å; L248-L337 HydrophobicContact CD1-CD2 3.41Å; L248-L337 VanDerWaalsContact CD1-CD2 3.41Å; L248-L337 HydrophobicContact CD1-CG 3.63Å; Y305-L337 HydrophobicContact CD1-CD2 4.32Å; Y305-L337 HydrophobicContact CG-CD2 4.15Å; L312-L337 HydrophobicContact CD1-CD1 3.54Å; L312-L337 HydrophobicContact CD2-CD1 3.88Å; L312-L337 HydrophobicContact CG-CD1 4.39Å; P334-L337 WeakPolarHBondContact O-CA 3.26Å; P334-L337 WeakPolarHBondContact O-CB 3.34Å; P334-L337 PolarHBondContact O-N 2.69Å; E335-L337 PolarHBondContact O-N 3.33Å; L337-N339 PolarHBondContact O-N 3.23Å; L337-G340 PolarHBondContact O-N 3.42Å; L337-L341 HydrophobicContact CD2-CB 4.3Å; L337-L341 HydrophobicContact CD2-CD1 4.33Å; L337-L341 PolarHBondContact O-N 3.4Å; L337-C342 VanDerWaalsContact O-CB 3.28Å; L337-C342 WeakPolarHBondContact O-CB 3.3Å; L337-C342 PolarHBondContact O-N 2.71Å |
| 338 | S | 93.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -62.3 | -39 | -170.7 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | P334 E335 S343 I570 | P334-S338 PolarHBondContact O-N 2.88Å; E335-S338 WeakPolarHBondContact CA-OG 3.46Å; E335-S338 PolarHBondContact O-N 2.97Å; S338-S343 WeakPolarHBondContact O-CB 3.28Å; S338-I570 VanDerWaalsContact CB-CG2 3.42Å |
| 339 | N | 93 | Very high | 96.2 | Very high | 62 Ų | 62 | 33.2 Ų | 33.2 | 33% | 0.332 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -99.1 | -10.2 | -178.5 | -55.5 | -7.7 | 0 | 0 | 0 | 112.1 | R277 E335 L337 S343 N345 | R277-N339 HydrophobicContact CB-CB 4.44Å; E335-N339 WeakPolarHBondContact O-CB 3.37Å; E335-N339 PolarHBondContact O-N 3.25Å; L337-N339 PolarHBondContact O-N 3.23Å; N339-S343 WeakPolarHBondContact O-CB 3.5Å; N339-N345 PolarHBondContact O-ND2 3.32Å; N339-N345 VanDerWaalsContact O-ND2 3.07Å |
| 340 | G | 94.7 | Very high | 96.4 | Very high | 20 Ų | 20 | 31 Ų | 31 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -109.2 | -97.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V336 L337 R350 | V336-G340 WeakPolarHBondContact O-CA 3.47Å; L337-G340 PolarHBondContact O-N 3.42Å; G340-R350 PolarHBondContact O-NE 2.8Å; G340-R350 PolarHBondContact O-NH2 3.38Å |
| 341 | L | 94.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -70.9 | -28 | -172.2 | -74.8 | 174.8 | 0 | 0 | 0 | 114.5 | L248 K249 E250 V252 Y305 L337 R350 | L248-L341 HydrophobicContact CB-CD1 4.06Å; L248-L341 HydrophobicContact CD1-CD1 4.39Å; L248-L341 HydrophobicContact CD2-CD1 4.13Å; L248-L341 HydrophobicContact CG-CD1 4.43Å; K249-L341 WeakPolarHBondContact O-CD1 3.47Å; E250-L341 WeakPolarHBondContact O-CD2 3.48Å; V252-L341 HydrophobicContact CG2-CD2 4.29Å; Y305-L341 HydrophobicContact CD1-CD1 4.21Å; Y305-L341 HydrophobicContact CE1-CB 4.06Å; Y305-L341 HydrophobicContact CE1-CD1 3.8Å; Y305-L341 HydrophobicContact CE1-CG 4.39Å; Y305-L341 HydrophobicContact CE2-CB 4.31Å; L337-L341 HydrophobicContact CD2-CB 4.3Å; L337-L341 HydrophobicContact CD2-CD1 4.33Å; L337-L341 PolarHBondContact O-N 3.4Å; L341-R350 WeakPolarHBondContact O-CD 3.38Å |
| 342 | C | 96.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -90.8 | -26.7 | 176.1 | -63.1 | 0 | 0 | 0 | 0 | 112 | A300 V302 Y305 L337 L344 I570 | A300-C342 HydrophobicContact CB-CB 4.49Å; A300-C342 WeakPolarHBondContact CB-O 3.44Å; V302-C342 HydrophobicContact CG2-CB 4.07Å; Y305-C342 VanDerWaalsContact CD2-SG 3.54Å; L337-C342 VanDerWaalsContact O-CB 3.28Å; L337-C342 WeakPolarHBondContact O-CB 3.3Å; L337-C342 PolarHBondContact O-N 2.71Å; C342-L344 PolarHBondContact O-N 2.97Å; C342-I570 HydrophobicContact CB-CD1 3.8Å; C342-I570 HydrophobicContact CB-CG1 3.81Å |
| 343 | S | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -68.4 | 129.6 | 175.7 | -165.1 | 0 | 0 | 0 | 0 | 110.9 | R277 F279 S338 N339 N345 R350 | R277-S343 PolarHBondContact O-OG 3.3Å; F279-S343 WeakPolarHBondContact CD2-OG 3.29Å; F279-S343 PolarHBondContact N-OG 2.89Å; S338-S343 WeakPolarHBondContact O-CB 3.28Å; N339-S343 WeakPolarHBondContact O-CB 3.5Å; S343-N345 PolarHBondContact O-N 3.06Å; S343-N345 PolarHBondContact OG-OD1 3.41Å; S343-R350 VanDerWaalsContact O-CD 3.32Å; S343-R350 WeakPolarHBondContact O-CD 3.35Å; S343-R350 PolarHBondContact O-NE 3.24Å |
| 344 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -74.7 | 56.1 | 176.5 | -59.6 | -178.4 | 0 | 0 | 0 | 111.8 | T270 F279 A282 A298 C342 R350 C352 M375 S377 | T270-L344 HydrophobicContact CG2-CB 3.86Å; T270-L344 WeakPolarHBondContact CG2-O 3.29Å; F279-L344 HydrophobicContact CB-CB 4.39Å; F279-L344 WeakPolarHBondContact O-CG 3.49Å; F279-L344 PolarHBondContact O-N 3.41Å; A282-L344 HydrophobicContact CB-CD1 3.79Å; A298-L344 WeakPolarHBondContact O-CD1 3.49Å; C342-L344 PolarHBondContact O-N 2.97Å; L344-R350 HydrophobicContact CD2-CB 3.81Å; L344-R350 HydrophobicContact CD2-CG 4.46Å; L344-C352 HydrophobicContact CD2-CB 4.41Å; L344-M375 HydrophobicContact CD1-SD 3.92Å; L344-M375 HydrophobicContact CD2-CG 4.41Å; L344-M375 HydrophobicContact CD2-SD 3.9Å; L344-M375 HydrophobicContact CG-SD 4.39Å; L344-S377 WeakPolarHBondContact O-CB 3.39Å | ||
| 345 | N | 97.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 20% | 0.198 | 16% | 0.159 | C | C | . | . | trans | -57.1 | 147.3 | -176.6 | -75.8 | -30.9 | 0 | 0 | 0 | 112.1 | N339 S343 V348 | N339-N345 PolarHBondContact O-ND2 3.32Å; N339-N345 VanDerWaalsContact O-ND2 3.07Å; S343-N345 PolarHBondContact O-N 3.06Å; S343-N345 PolarHBondContact OG-OD1 3.41Å; N345-V348 HydrophobicContact CB-CG2 3.58Å; N345-V348 WeakPolarHBondContact O-CG2 3.46Å | ||
| 346 | P | 97.4 | Very high | 97 | Very high | 47 Ų | 47 | 26.1 Ų | 26.1 | 31% | 0.305 | 14% | 0.144 | S | C | . | . | B | Isolated β-bridge | trans | -66.5 | 141.3 | -177.3 | 28.4 | -34.7 | 0 | 0 | 0 | 111.4 | V348 S377 R380 | P346-V348 PolarHBondContact O-N 3.47Å; P346-S377 CarbonylContact C-O 3.59Å; P346-S377 WeakPolarHBondContact CA-O 3.42Å; P346-R380 HydrophobicContact CB-CB 4.13Å; P346-R380 HydrophobicContact CG-CB 3.85Å |
| 347 | Q | 97.6 | Very high | 97.2 | Very high | 157 Ų | 157 | 22.5 Ų | 22.5 | 73% | 0.734 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 24.8 | 169.5 | -57.7 | 169.2 | -13.6 | 0 | 0 | 114.9 | S377 | Q347-S377 PolarHBondContact N-O 2.85Š|
| 348 | V | 98 | Very high | 97.4 | Very high | 54 Ų | 54 | 23.9 Ų | 23.9 | 33% | 0.327 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -132.7 | 143.5 | 174.2 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | N345 P346 R350 | N345-V348 HydrophobicContact CB-CG2 3.58Å; N345-V348 WeakPolarHBondContact O-CG2 3.46Å; P346-V348 PolarHBondContact O-N 3.47Å; V348-R350 HydrophobicContact CG2-CG 4.42Å; V348-R350 PolarHBondContact O-N 2.78Å |
| 349 | D | 98.5 | Very high | 97.6 | Very high | 38 Ų | 38 | 23.9 Ų | 23.9 | 20% | 0.203 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 130.2 | 178.6 | -76.5 | 5.8 | 0 | 0 | 0 | 110.5 | V252 K257 R264 V374 M375 | V252-D349 WeakPolarHBondContact CG2-O 3.5Å; K257-D349 WeakPolarHBondContact CE-OD2 3.48Å; K257-D349 IonicContact NZ-OD2 2.71Å; K257-D349 PolarHBondContact NZ-OD2 3.41Å; R264-D349 VanDerWaalsContact CD-CG 3.45Å; R264-D349 WeakPolarHBondContact CD-OD1 3.43Å; R264-D349 WeakPolarHBondContact CD-OD2 3.45Å; R264-D349 IonicContact CZ-OD2 3.92Å; R264-D349 IonicContact NH1-OD2 2.97Å; R264-D349 PolarHBondContact NH1-OD2 3.43Å; D349-V374 HydrophobicContact CB-CG2 4.24Å; D349-M375 WeakPolarHBondContact CA-O 3.43Å |
| 350 | R | 98.5 | Very high | 97.9 | Very high | 19 Ų | 19 | 22.4 Ų | 22.4 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 143.9 | 178.1 | -71.2 | -67.6 | -177.8 | -90.2 | 9.1 | 111.6 | G340 L341 S343 L344 V348 V374 M375 | G340-R350 PolarHBondContact O-NE 2.8Å; G340-R350 PolarHBondContact O-NH2 3.38Å; L341-R350 WeakPolarHBondContact O-CD 3.38Å; S343-R350 VanDerWaalsContact O-CD 3.32Å; S343-R350 WeakPolarHBondContact O-CD 3.35Å; S343-R350 PolarHBondContact O-NE 3.24Å; L344-R350 HydrophobicContact CD2-CB 3.81Å; L344-R350 HydrophobicContact CD2-CG 4.46Å; V348-R350 HydrophobicContact CG2-CG 4.42Å; V348-R350 PolarHBondContact O-N 2.78Å; R350-V374 WeakPolarHBondContact O-CA 3.4Å; R350-M375 PolarHBondContact N-O 2.97Å; R350-M375 PolarHBondContact O-N 2.92Å |
| 351 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 131.4 | 173.8 | -55.6 | -176.1 | 0 | 0 | 0 | 108.9 | V252 A256 D301 Y304 Y305 | V252-L351 HydrophobicContact CG1-CD1 4.1Å; V252-L351 HydrophobicContact CG1-CD2 3.57Å; V252-L351 HydrophobicContact CG1-CG 3.7Å; V252-L351 HydrophobicContact CG2-CG 4.31Å; A256-L351 HydrophobicContact CB-CD1 4.09Å; D301-L351 HydrophobicContact CB-CB 3.93Å; D301-L351 WeakPolarHBondContact CB-O 3.08Å; D301-L351 PolarHBondContact N-O 2.98Å; D301-L351 VanDerWaalsContact N-O 3.11Å; Y304-L351 HydrophobicContact CD1-CD1 3.51Å; Y304-L351 HydrophobicContact CD2-CD1 4.45Å; Y304-L351 HydrophobicContact CE1-CD1 3.57Å; Y304-L351 HydrophobicContact CE2-CD1 4.49Å; Y304-L351 HydrophobicContact CG-CD1 3.98Å; Y305-L351 HydrophobicContact CE2-CD1 4.48Å |
| 352 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.1 | 179 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | A298 I299 L344 V354 A373 M375 | A298-C352 HydrophobicContact CB-CB 4.18Å; I299-C352 CarbonylContact O-C 3.57Å; I299-C352 WeakPolarHBondContact O-CA 3.33Å; I299-C352 VanDerWaalsContact O-CB 3.24Å; I299-C352 WeakPolarHBondContact O-CB 3.31Å; L344-C352 HydrophobicContact CD2-CB 4.41Å; C352-V354 HydrophobicContact CB-CG2 4.49Å; C352-A373 PolarHBondContact N-O 2.98Å; C352-A373 PolarHBondContact O-N 3.24Å; C352-M375 HydrophobicContact CB-CG 4.27Å; C352-M375 HydrophobicContact CB-SD 4.25Å |
| 353 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.1 | 164 | 179.1 | 58.7 | 62.8 | 0 | 0 | 107.8 | I299 E372 F566 I582 K583 | I299-M353 PolarHBondContact N-O 3.34Å; I299-M353 PolarHBondContact O-N 2.89Å; M353-E372 HydrophobicContact CE-CG 3.66Å; M353-F566 HydrophobicContact CB-CZ 4.43Å; M353-F566 HydrophobicContact CG-CE2 3.91Å; M353-F566 HydrophobicContact CG-CZ 3.76Å; M353-I582 HydrophobicContact SD-CG2 4.28Å; M353-K583 HydrophobicContact CE-CD 3.92Å; M353-K583 HydrophobicContact CE-CG 3.29Å |
| 354 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.9 | -171.2 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | L263 V297 A298 C352 F370 Y371 A373 | L263-V354 HydrophobicContact CD1-CG1 4.28Å; L263-V354 HydrophobicContact CD1-CG2 3.81Å; V297-V354 WeakPolarHBondContact O-CA 3.08Å; A298-V354 HydrophobicContact CB-CG2 3.93Å; C352-V354 HydrophobicContact CB-CG2 4.49Å; V354-F370 VanDerWaalsContact O-CA 3.3Å; V354-F370 WeakPolarHBondContact O-CA 3.46Å; V354-Y371 HydrophobicContact CB-CD2 4.15Å; V354-Y371 HydrophobicContact CB-CE1 4.32Å; V354-Y371 HydrophobicContact CB-CE2 3.74Å; V354-Y371 HydrophobicContact CG1-CE1 4.11Å; V354-Y371 HydrophobicContact CG1-CE2 3.96Å; V354-Y371 WeakPolarHBondContact CG1-OH 3.28Å; V354-Y371 HydrophobicContact CG2-CE2 4.15Å; V354-Y371 PolarHBondContact N-O 3.23Å; V354-Y371 PolarHBondContact O-N 3.18Å; V354-Y371 VanDerWaalsContact O-N 3.16Å; V354-A373 HydrophobicContact CG2-CB 3.59Å |
| 355 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 106.4 | 163.4 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | V297 M357 F370 A466 F566 | V297-C355 PolarHBondContact N-O 2.98Å; V297-C355 PolarHBondContact O-N 3.19Å; C355-M357 HydrophobicContact CB-CE 4.42Å; C355-M357 VanDerWaalsContact SG-CG 3.54Å; C355-F370 HydrophobicContact CB-CD1 4.04Å; C355-F370 HydrophobicContact CB-CE1 3.59Å; C355-F370 HydrophobicContact CB-CZ 4.17Å; C355-F370 VanDerWaalsContact SG-CZ 3.57Å; C355-A466 HydrophobicContact CB-CB 4.23Å; C355-F566 HydrophobicContact CB-CE1 4.22Å |
| 356 | E | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.5 | 171.2 | -178.4 | -172.9 | 131.9 | 0 | 0 | 109 | R294 L295 W296 Y368 K369 Y371 | R294-E356 WeakPolarHBondContact CD-OE1 3.42Å; R294-E356 HydrophobicContact CG-CG 3.98Å; R294-E356 IonicContact NE-OE1 3.87Å; R294-E356 PolarHBondContact NE-OE1 3.41Å; L295-E356 WeakPolarHBondContact O-CA 3.41Å; W296-E356 HydrophobicContact CD2-CG 4.25Å; W296-E356 HydrophobicContact CG-CG 4.33Å; W296-E356 HydrophobicContact CZ2-CG 4.4Å; W296-E356 VanDerWaalsContact NE1-CD 3.34Å; W296-E356 PolarHBondContact NE1-OE2 3.5Å; E356-Y368 CarbonylContact O-C 3.52Å; E356-Y368 VanDerWaalsContact O-CA 3.26Å; E356-Y368 WeakPolarHBondContact O-CA 3.44Å; E356-K369 HydrophobicContact CB-CG 4.02Å; E356-K369 PolarHBondContact N-O 3.46Å; E356-K369 PolarHBondContact O-N 2.92Å; E356-K369 VanDerWaalsContact OE1-CE 3.25Å; E356-K369 WeakPolarHBondContact OE1-CE 3.2Å; E356-K369 IonicContact OE1-NZ 2.88Å; E356-K369 PolarHBondContact OE1-NZ 3.35Å; E356-K369 VanDerWaalsContact OE1-NZ 3.1Å; E356-K369 WeakPolarHBondContact OE2-CE 3.41Å; E356-K369 IonicContact OE2-NZ 3.27Å; E356-K369 PolarHBondContact OE2-NZ 2.97Å; E356-Y371 HydrophobicContact CB-CE1 3.77Å; E356-Y371 PolarHBondContact OE2-OH 3.14Å |
| 357 | M | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 149.7 | -172.2 | -65.8 | 171.5 | -80.9 | 0 | 0 | 111.7 | R294 L295 V297 C355 L365 G367 L465 A466 S469 | R294-M357 CarbonylContact C-O 3.49Å; R294-M357 VanDerWaalsContact CA-O 3.29Å; R294-M357 WeakPolarHBondContact CA-O 3.41Å; L295-M357 HydrophobicContact CD2-CE 3.6Å; L295-M357 HydrophobicContact CG-CE 3.94Å; L295-M357 PolarHBondContact N-O 3.21Å; L295-M357 PolarHBondContact O-N 2.96Å; V297-M357 HydrophobicContact CB-CE 4.14Å; V297-M357 HydrophobicContact CG2-CE 3.57Å; C355-M357 HydrophobicContact CB-CE 4.42Å; C355-M357 VanDerWaalsContact SG-CG 3.54Å; M357-L365 HydrophobicContact CB-CD1 3.79Å; M357-L365 HydrophobicContact CG-CD1 3.91Å; M357-L365 HydrophobicContact SD-CD1 4.08Å; M357-G367 WeakPolarHBondContact CA-O 3.37Å; M357-L465 HydrophobicContact CE-CB 4.17Å; M357-L465 HydrophobicContact SD-CB 3.64Å; M357-A466 HydrophobicContact CE-CB 3.98Å; M357-S469 PolarHBondContact SD-OG 3.42Å; M357-S469 VanDerWaalsContact SD-OG 3.36Å |
| 358 | T | 98.6 | Very high | 98.2 | Very high | 30 Ų | 30 | 38 Ų | 38 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.6 | 167.7 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | K288 W293 T366 G367 | K288-T358 HydrophobicContact CD-CG2 4.08Å; W293-T358 WeakPolarHBondContact O-CA 3.36Å; T358-T366 VanDerWaalsContact C-OG1 3.24Å; T358-T366 WeakPolarHBondContact CB-OG1 3.49Å; T358-T366 PolarHBondContact O-N 2.98Å; T358-T366 PolarHBondContact O-OG1 3.12Å; T358-T366 PolarHBondContact OG1-OG1 3.12Å; T358-G367 PolarHBondContact N-O 3.25Å; T358-G367 PolarHBondContact O-N 3.26Å; T358-G367 PolarHBondContact OG1-N 3.45Å |
| 359 | V | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.4 | -177.5 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | G292 W293 L413 L417 L465 | G292-V359 CarbonylContact C-O 3.55Å; G292-V359 WeakPolarHBondContact CA-O 3.33Å; W293-V359 HydrophobicContact CB-CB 4.45Å; W293-V359 PolarHBondContact N-O 2.76Å; W293-V359 PolarHBondContact O-N 3.01Å; V359-L413 HydrophobicContact CB-CD1 4.13Å; V359-L413 HydrophobicContact CG1-CD1 3.93Å; V359-L413 HydrophobicContact CG2-CD1 4.25Å; V359-L417 HydrophobicContact CG1-CD2 3.92Å; V359-L465 HydrophobicContact CG2-CD1 3.78Å |
| 360 | S | 98.1 | Very high | 98.2 | Very high | 31 Ų | 31 | 39 Ų | 39 | 22% | 0.217 | 20% | 0.198 | C | C | . | . | trans | -69.8 | 167.1 | 175.7 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | K362 G363 R364 | S360-K362 PolarHBondContact O-N 3.26Å; S360-K362 PolarHBondContact OG-N 2.83Å; S360-G363 PolarHBondContact O-N 3.16Å; S360-R364 PolarHBondContact N-O 2.97Å; S360-R364 WeakPolarHBondContact OG-CB 3.39Å; S360-R364 PolarHBondContact OG-N 3.43Å; S360-R364 PolarHBondContact OG-O 3.49Å | ||
| 361 | S | 97.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 57% | 0.566 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -10.9 | 172.8 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | V416 | S361-V416 VanDerWaalsContact O-CG1 3.32Å; S361-V416 WeakPolarHBondContact O-CG1 3.37Å |
| 362 | K | 96.9 | Very high | 98.2 | Very high | 136 Ų | 136 | 41.6 Ų | 41.6 | 59% | 0.591 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 21.6 | 174 | -60.7 | -163.4 | 176 | -164.3 | 0 | 112.8 | S360 R364 V416 | S360-K362 PolarHBondContact O-N 3.26Å; S360-K362 PolarHBondContact OG-N 2.83Å; K362-R364 PolarHBondContact O-N 3.36Å; K362-R364 VanDerWaalsContact O-N 3.07Å; K362-V416 VanDerWaalsContact C-CG1 3.47Å |
| 363 | G | 96.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 75.3 | 3.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S360 L417 | S360-G363 PolarHBondContact O-N 3.16Å; G363-L417 WeakPolarHBondContact O-CD2 3.46Å |
| 364 | R | 96.6 | Very high | 98.2 | Very high | 166 Ų | 166 | 41.7 Ų | 41.7 | 63% | 0.626 | 21% | 0.211 | S | C | * | . | trans | -78.3 | 131 | 175.2 | -58 | -171.4 | -176.2 | 174.6 | 0.8 | 111.2 | S360 K362 T366 | S360-R364 PolarHBondContact N-O 2.97Å; S360-R364 WeakPolarHBondContact OG-CB 3.39Å; S360-R364 PolarHBondContact OG-N 3.43Å; S360-R364 PolarHBondContact OG-O 3.49Å; K362-R364 PolarHBondContact O-N 3.36Å; K362-R364 VanDerWaalsContact O-N 3.07Å; R364-T366 PolarHBondContact O-N 3.49Å | ||
| 365 | L | 97.9 | Very high | 98.2 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 120.8 | 167.8 | -178.2 | 66.6 | 0 | 0 | 0 | 110.3 | M357 G367 Y368 L465 I468 S469 | M357-L365 HydrophobicContact CB-CD1 3.79Å; M357-L365 HydrophobicContact CG-CD1 3.91Å; M357-L365 HydrophobicContact SD-CD1 4.08Å; L365-G367 WeakPolarHBondContact CD1-O 3.4Å; L365-Y368 HydrophobicContact CD2-CD1 4.24Å; L365-L465 HydrophobicContact CB-CD2 4.25Å; L365-I468 HydrophobicContact CD2-CG2 3.96Å; L365-S469 VanDerWaalsContact CD2-OG 3.31Å; L365-S469 WeakPolarHBondContact CD2-OG 3.4Å |
| 366 | T | 97.6 | Very high | 98.2 | Very high | 91 Ų | 91 | 42.8 Ų | 42.8 | 56% | 0.558 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -20.2 | -176 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | T358 R364 | T358-T366 VanDerWaalsContact C-OG1 3.24Å; T358-T366 WeakPolarHBondContact CB-OG1 3.49Å; T358-T366 PolarHBondContact O-N 2.98Å; T358-T366 PolarHBondContact O-OG1 3.12Å; T358-T366 PolarHBondContact OG1-OG1 3.12Å; R364-T366 PolarHBondContact O-N 3.49Å |
| 367 | G | 97.9 | Very high | 98.2 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 27% | 0.268 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 158.4 | -180 | 0 | 0 | 0 | 0 | 0 | 110.8 | M357 T358 L365 | M357-G367 WeakPolarHBondContact CA-O 3.37Å; T358-G367 PolarHBondContact N-O 3.25Å; T358-G367 PolarHBondContact O-N 3.26Å; T358-G367 PolarHBondContact OG1-N 3.45Å; L365-G367 WeakPolarHBondContact CD1-O 3.4Å |
| 368 | Y | 98.7 | Very high | 98.2 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 156.2 | 177.4 | 57.6 | -98.4 | 0 | 0 | 0 | 109.9 | E356 L365 F370 R472 F473 | E356-Y368 CarbonylContact O-C 3.52Å; E356-Y368 VanDerWaalsContact O-CA 3.26Å; E356-Y368 WeakPolarHBondContact O-CA 3.44Å; L365-Y368 HydrophobicContact CD2-CD1 4.24Å; Y368-F370 HydrophobicContact CD2-CD2 4.22Å; Y368-F370 AromaticContact CD2-CE2 3.79Å; Y368-F370 HydrophobicContact CD2-CE2 3.79Å; Y368-F370 HydrophobicContact CE2-CE2 4.23Å; Y368-R472 HydrophobicContact CE1-CB 4Å; Y368-R472 WeakPolarHBondContact OH-CB 3.47Å; Y368-F473 HydrophobicContact CE2-CB 3.91Å; Y368-F473 HydrophobicContact CE2-CD2 4.03Å; Y368-F473 HydrophobicContact CE2-CG 4.42Å; Y368-F473 PolarHBondContact OH-N 3.43Å |
| 369 | K | 98.6 | Very high | 98.2 | Very high | 102 Ų | 102 | 44.1 Ų | 44.1 | 44% | 0.443 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.3 | 166.4 | 62.1 | 179.3 | -177.1 | -176.8 | 0 | 109.4 | E356 Y371 | E356-K369 HydrophobicContact CB-CG 4.02Å; E356-K369 PolarHBondContact N-O 3.46Å; E356-K369 PolarHBondContact O-N 2.92Å; E356-K369 VanDerWaalsContact OE1-CE 3.25Å; E356-K369 WeakPolarHBondContact OE1-CE 3.2Å; E356-K369 IonicContact OE1-NZ 2.88Å; E356-K369 PolarHBondContact OE1-NZ 3.35Å; E356-K369 VanDerWaalsContact OE1-NZ 3.1Å; E356-K369 WeakPolarHBondContact OE2-CE 3.41Å; E356-K369 IonicContact OE2-NZ 3.27Å; E356-K369 PolarHBondContact OE2-NZ 2.97Å; K369-Y371 HydrophobicContact CD-CD1 4.34Å; K369-Y371 HydrophobicContact CD-CE1 4.26Å; K369-Y371 HydrophobicContact CG-CD1 4.15Å; K369-Y371 HydrophobicContact CG-CE1 4.11Å |
| 370 | F | 98.9 | Very high | 98.1 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 142.8 | 175.6 | -69.1 | -86.9 | 0 | 0 | 0 | 110.2 | V354 C355 Y368 A470 F473 F566 I582 L586 | V354-F370 VanDerWaalsContact O-CA 3.3Å; V354-F370 WeakPolarHBondContact O-CA 3.46Å; C355-F370 HydrophobicContact CB-CD1 4.04Å; C355-F370 HydrophobicContact CB-CE1 3.59Å; C355-F370 HydrophobicContact CB-CZ 4.17Å; C355-F370 VanDerWaalsContact SG-CZ 3.57Å; Y368-F370 HydrophobicContact CD2-CD2 4.22Å; Y368-F370 AromaticContact CD2-CE2 3.79Å; Y368-F370 HydrophobicContact CD2-CE2 3.79Å; Y368-F370 HydrophobicContact CE2-CE2 4.23Å; F370-A470 HydrophobicContact CE1-CB 4.28Å; F370-A470 VanDerWaalsContact CZ-CA 3.49Å; F370-A470 HydrophobicContact CZ-CB 3.82Å; F370-F473 HydrophobicContact CD2-CB 4.27Å; F370-F473 HydrophobicContact CD2-CD1 4.25Å; F370-F473 HydrophobicContact CD2-CD2 4.31Å; F370-F473 HydrophobicContact CD2-CG 4.03Å; F370-F473 HydrophobicContact CE2-CB 3.9Å; F370-F473 HydrophobicContact CE2-CG 4.18Å; F370-F566 HydrophobicContact CD1-CE2 4.42Å; F370-F566 HydrophobicContact CD1-CZ 4.12Å; F370-F566 HydrophobicContact CE1-CE1 4.02Å; F370-F566 HydrophobicContact CE1-CE2 4.13Å; F370-F566 AromaticContact CE1-CZ 3.83Å; F370-F566 HydrophobicContact CE1-CZ 3.83Å; F370-I582 HydrophobicContact CB-CG2 3.68Å; F370-I582 HydrophobicContact CD1-CD1 4.15Å; F370-I582 HydrophobicContact CD1-CG2 4.08Å; F370-I582 HydrophobicContact CE1-CD1 4.02Å; F370-I582 HydrophobicContact CG-CG2 3.85Å; F370-I582 HydrophobicContact CZ-CD1 4.41Å; F370-L586 HydrophobicContact CB-CD1 4.02Å; F370-L586 HydrophobicContact CB-CD2 4.33Å; F370-L586 WeakPolarHBondContact O-CD2 3.43Å |
| 371 | Y | 98.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 11% | 0.114 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 156.5 | 174.7 | 53.6 | -87.9 | 0 | 0 | 0 | 111.8 | V261 L263 W296 V354 E356 K369 A373 | V261-Y371 HydrophobicContact CB-CD2 3.73Å; V261-Y371 HydrophobicContact CB-CE2 3.82Å; V261-Y371 HydrophobicContact CG1-CD2 4.26Å; V261-Y371 HydrophobicContact CG1-CE2 3.87Å; V261-Y371 HydrophobicContact CG2-CD2 3.5Å; V261-Y371 HydrophobicContact CG2-CE2 3.97Å; V261-Y371 HydrophobicContact CG2-CG 4.19Å; L263-Y371 HydrophobicContact CD1-CE2 4.07Å; W296-Y371 VanDerWaalsContact CD1-OH 3.24Å; W296-Y371 PolarHBondContact NE1-OH 3.12Å; V354-Y371 HydrophobicContact CB-CD2 4.15Å; V354-Y371 HydrophobicContact CB-CE1 4.32Å; V354-Y371 HydrophobicContact CB-CE2 3.74Å; V354-Y371 HydrophobicContact CG1-CE1 4.11Å; V354-Y371 HydrophobicContact CG1-CE2 3.96Å; V354-Y371 WeakPolarHBondContact CG1-OH 3.28Å; V354-Y371 HydrophobicContact CG2-CE2 4.15Å; V354-Y371 PolarHBondContact N-O 3.23Å; V354-Y371 PolarHBondContact O-N 3.18Å; V354-Y371 VanDerWaalsContact O-N 3.16Å; E356-Y371 HydrophobicContact CB-CE1 3.77Å; E356-Y371 PolarHBondContact OE2-OH 3.14Å; K369-Y371 HydrophobicContact CD-CD1 4.34Å; K369-Y371 HydrophobicContact CD-CE1 4.26Å; K369-Y371 HydrophobicContact CG-CD1 4.15Å; K369-Y371 HydrophobicContact CG-CE1 4.11Å; Y371-A373 HydrophobicContact CD2-CB 4.17Å; Y371-A373 HydrophobicContact CE2-CB 4.09Å |
| 372 | E | 98.8 | Very high | 98.1 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 21% | 0.21 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 131.9 | 173.7 | -60.2 | -170.2 | 107.9 | 0 | 0 | 110.2 | R260 V261 M353 K583 T599 | R260-E372 HydrophobicContact CG-CB 4.26Å; R260-E372 IonicContact NH2-OE1 3.51Å; V261-E372 PolarHBondContact N-O 2.94Å; M353-E372 HydrophobicContact CE-CG 3.66Å; E372-K583 WeakPolarHBondContact OE1-CD 3.32Å; E372-K583 WeakPolarHBondContact OE1-CE 3.28Å; E372-K583 IonicContact OE1-NZ 3.43Å; E372-K583 PolarHBondContact OE1-NZ 3.26Å; E372-T599 VanDerWaalsContact CD-OG1 3.25Å; E372-T599 WeakPolarHBondContact OE1-CB 3.25Å; E372-T599 PolarHBondContact OE1-OG1 3.21Å; E372-T599 WeakPolarHBondContact OE2-CB 3.33Å; E372-T599 WeakPolarHBondContact OE2-CG2 3.09Å; E372-T599 PolarHBondContact OE2-OG1 2.96Å |
| 373 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 167.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R260 V261 L263 C352 V354 Y371 | R260-A373 PolarHBondContact NH1-O 2.91Å; V261-A373 HydrophobicContact CB-CB 4.18Å; V261-A373 CarbonylContact O-C 3.54Å; V261-A373 WeakPolarHBondContact O-CA 3.45Å; V261-A373 VanDerWaalsContact O-CB 3.26Å; V261-A373 WeakPolarHBondContact O-CB 3.45Å; L263-A373 HydrophobicContact CD1-CB 3.85Å; L263-A373 HydrophobicContact CG-CB 4.09Å; C352-A373 PolarHBondContact N-O 2.98Å; C352-A373 PolarHBondContact O-N 3.24Å; V354-A373 HydrophobicContact CG2-CB 3.59Å; Y371-A373 HydrophobicContact CD2-CB 4.17Å; Y371-A373 HydrophobicContact CE2-CB 4.09Å |
| 374 | V | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135 | 163 | 60 | 0 | 0 | 0 | 0 | 108.2 | K257 V261 D262 L263 R264 D349 R350 | K257-V374 HydrophobicContact CD-CG2 4.35Å; K257-V374 HydrophobicContact CG-CG2 4.25Å; V261-V374 PolarHBondContact O-N 3.2Å; D262-V374 HydrophobicContact CB-CG1 4.45Å; L263-V374 WeakPolarHBondContact CA-O 3.3Å; L263-V374 PolarHBondContact N-O 2.93Å; R264-V374 HydrophobicContact CG-CG1 4.48Å; R264-V374 HydrophobicContact CG-CG2 4.31Å; D349-V374 HydrophobicContact CB-CG2 4.24Å; R350-V374 WeakPolarHBondContact O-CA 3.4Å |
| 375 | M | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 165 | -179.5 | 66.8 | 166.6 | -77.3 | 0 | 0 | 111.6 | L263 L268 A282 A298 L344 D349 R350 C352 | L263-M375 HydrophobicContact CB-CB 4.48Å; L268-M375 HydrophobicContact CB-CE 3.76Å; L268-M375 HydrophobicContact CD1-CB 3.88Å; L268-M375 HydrophobicContact CD1-CE 4.02Å; L268-M375 HydrophobicContact CD1-SD 4.04Å; L268-M375 HydrophobicContact CG-CE 4.49Å; A282-M375 HydrophobicContact CB-CE 3.64Å; A282-M375 HydrophobicContact CB-SD 4.08Å; A298-M375 HydrophobicContact CB-SD 3.64Å; L344-M375 HydrophobicContact CD1-SD 3.92Å; L344-M375 HydrophobicContact CD2-CG 4.41Å; L344-M375 HydrophobicContact CD2-SD 3.9Å; L344-M375 HydrophobicContact CG-SD 4.39Å; D349-M375 WeakPolarHBondContact CA-O 3.43Å; R350-M375 PolarHBondContact N-O 2.97Å; R350-M375 PolarHBondContact O-N 2.92Å; C352-M375 HydrophobicContact CB-CG 4.27Å; C352-M375 HydrophobicContact CB-SD 4.25Å |
| 376 | S | 98.7 | Very high | 98.3 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 110.8 | 168 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | H378 | S376-H378 PolarHBondContact O-N 2.87Å; S376-H378 PolarHBondContact O-ND1 3.44Å |
| 377 | S | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -63.9 | 122.4 | -178.1 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | L344 P346 Q347 A379 | L344-S377 WeakPolarHBondContact O-CB 3.39Å; P346-S377 CarbonylContact C-O 3.59Å; P346-S377 WeakPolarHBondContact CA-O 3.42Å; Q347-S377 PolarHBondContact N-O 2.85Å; S377-A379 VanDerWaalsContact C-N 3.28Å; S377-A379 PolarHBondContact O-N 3.33Å; S377-A379 PolarHBondContact OG-O 3.27Å; S377-A379 VanDerWaalsContact OG-O 3.12Å |
| 378 | H | 98.5 | Very high | 98.3 | Very high | 75 Ų | 75 | 34.7 Ų | 34.7 | 35% | 0.347 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -74.3 | -21.6 | -176.1 | -79.6 | 47.2 | 0 | 0 | 0 | 112.8 | R264 L266 L268 S376 L403 | R264-H378 PolarHBondContact O-CE1 2.85Å; R264-H378 VanDerWaalsContact O-CE1 3.29Å; L266-H378 PolarHBondContact O-CE1 3.19Å; L266-H378 PolarHBondContact O-ND1 3.46Å; L268-H378 PolarHBondContact O-N 2.6Å; S376-H378 PolarHBondContact O-N 2.87Å; S376-H378 PolarHBondContact O-ND1 3.44Å; H378-L403 HydrophobicContact CB-CD2 4.1Å |
| 379 | A | 98 | Very high | 98.3 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 7% | 0.066 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 144 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V269 T270 S377 L381 Y400 L403 | V269-A379 HydrophobicContact CG1-CB 4.19Å; T270-A379 PolarHBondContact N-O 2.73Å; T270-A379 VanDerWaalsContact N-O 3.11Å; S377-A379 VanDerWaalsContact C-N 3.28Å; S377-A379 PolarHBondContact O-N 3.33Å; S377-A379 PolarHBondContact OG-O 3.27Å; S377-A379 VanDerWaalsContact OG-O 3.12Å; A379-L381 HydrophobicContact CB-CD1 4.45Å; A379-L381 HydrophobicContact CB-CD2 4Å; A379-L381 HydrophobicContact CB-CG 3.92Å; A379-Y400 HydrophobicContact CB-CD1 4.38Å; A379-Y400 HydrophobicContact CB-CE1 4.25Å; A379-L403 HydrophobicContact CB-CD1 3.54Å |
| 380 | R | 97.2 | Very high | 98.3 | Very high | 47 Ų | 47 | 28.2 Ų | 28.2 | 18% | 0.177 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 108.5 | 159.1 | -176.1 | -72.7 | -164.3 | -125.4 | 1.3 | 107.9 | T270 D272 G273 E274 A276 F279 P346 | T270-R380 WeakPolarHBondContact OG1-CA 3.2Å; D272-R380 PolarHBondContact O-NH1 3.14Å; D272-R380 VanDerWaalsContact O-NH1 3.16Å; G273-R380 PolarHBondContact O-NH1 3.06Å; G273-R380 PolarHBondContact O-NH2 2.91Å; E274-R380 PolarHBondContact O-NH2 2.74Å; A276-R380 PolarHBondContact O-NH2 3.1Å; F279-R380 HydrophobicContact CD2-CG 4.46Å; F279-R380 HydrophobicContact CE1-CG 3.99Å; F279-R380 HydrophobicContact CE2-CG 3.79Å; F279-R380 HydrophobicContact CZ-CG 3.52Å; P346-R380 HydrophobicContact CB-CB 4.13Å; P346-R380 HydrophobicContact CG-CB 3.85Å |
| 381 | L | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 163.5 | 179.7 | -60.6 | 171.9 | 0 | 0 | 0 | 110.5 | V269 T270 I271 D272 A379 V386 Y400 L407 | V269-L381 HydrophobicContact CB-CD1 4.16Å; V269-L381 HydrophobicContact CG1-CD1 4.33Å; V269-L381 HydrophobicContact CG2-CD1 4.25Å; T270-L381 WeakPolarHBondContact O-CB 3.35Å; T270-L381 PolarHBondContact O-N 3.15Å; I271-L381 HydrophobicContact CG1-CB 4.22Å; I271-L381 HydrophobicContact CG1-CD1 4.45Å; D272-L381 PolarHBondContact N-O 3.47Å; A379-L381 HydrophobicContact CB-CD1 4.45Å; A379-L381 HydrophobicContact CB-CD2 4Å; A379-L381 HydrophobicContact CB-CG 3.92Å; L381-V386 HydrophobicContact CB-CG2 3.81Å; L381-V386 HydrophobicContact CD1-CG2 3.89Å; L381-V386 HydrophobicContact CG-CG2 4.42Å; L381-Y400 HydrophobicContact CD2-CD1 3.73Å; L381-Y400 HydrophobicContact CD2-CD2 4.34Å; L381-Y400 HydrophobicContact CD2-CE1 3.49Å; L381-Y400 VanDerWaalsContact CD2-CE1 3.49Å; L381-Y400 HydrophobicContact CD2-CE2 4.17Å; L381-Y400 HydrophobicContact CD2-CG 4.16Å; L381-L407 HydrophobicContact CD1-CD1 4.03Å; L381-L407 HydrophobicContact CD1-CD2 3.87Å |
| 382 | T | 98 | Very high | 98.2 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 155.3 | 169.2 | 77.4 | 0 | 0 | 0 | 0 | 110.3 | D272 E274 T384 K385 V386 | D272-T382 WeakPolarHBondContact O-CA 3.42Å; E274-T382 HydrophobicContact CG-CG2 3.88Å; E274-T382 VanDerWaalsContact OE1-CB 3.24Å; E274-T382 WeakPolarHBondContact OE1-CB 3.24Å; E274-T382 PolarHBondContact OE1-OG1 3.14Å; T382-T384 PolarHBondContact O-N 3.34Å; T382-T384 PolarHBondContact OG1-N 3.33Å; T382-K385 PolarHBondContact O-N 2.83Å; T382-K385 VanDerWaalsContact O-N 3.12Å; T382-K385 WeakPolarHBondContact OG1-CG 3.19Å; T382-K385 PolarHBondContact OG1-N 3.33Å; T382-K385 VanDerWaalsContact OG1-N 3.12Å; T382-V386 WeakPolarHBondContact O-CG2 3.28Å; T382-V386 PolarHBondContact O-N 3.37Å |
| 383 | Y | 97.4 | Very high | 98.2 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 17% | 0.169 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.1 | -41.2 | 173.3 | -65.1 | -65 | 0 | 0 | 0 | 111.8 | I271 D272 W387 A455 H456 I459 | I271-Y383 HydrophobicContact CG2-CD1 3.65Å; I271-Y383 HydrophobicContact CG2-CE1 3.94Å; I271-Y383 HydrophobicContact CG2-CG 4.32Å; I271-Y383 WeakPolarHBondContact O-CE1 3.48Å; I271-Y383 VanDerWaalsContact O-CZ 3.32Å; I271-Y383 PolarHBondContact O-OH 3.36Å; D272-Y383 VanDerWaalsContact C-CE2 3.49Å; D272-Y383 PolarHBondContact O-N 2.86Å; Y383-W387 WeakPolarHBondContact O-CB 3.48Å; Y383-W387 PolarHBondContact O-N 3Å; Y383-A455 HydrophobicContact CD1-CB 4.22Å; Y383-A455 WeakPolarHBondContact CD1-O 3.25Å; Y383-A455 WeakPolarHBondContact O-CB 3.42Å; Y383-H456 VanDerWaalsContact CB-CE1 3.45Å; Y383-H456 WeakPolarHBondContact CB-CE1 3.23Å; Y383-H456 WeakPolarHBondContact CB-NE2 3.31Å; Y383-H456 HydrophobicContact CD1-CB 4.34Å; Y383-H456 AromaticContact CD1-CD2 3.78Å; Y383-H456 AromaticContact CD1-CG 3.88Å; Y383-H456 AromaticContact CD2-CD2 3.51Å; Y383-H456 AromaticContact CD2-NE2 3.49Å; Y383-H456 WeakPolarHBondContact CD2-NE2 3.26Å; Y383-H456 HydrophobicContact CE1-CB 4.45Å; Y383-H456 AromaticContact CE2-CD2 3.89Å; Y383-H456 AromaticContact CG-CD2 3.46Å; Y383-H456 VanDerWaalsContact CG-CD2 3.46Å; Y383-H456 AromaticContact CG-CE1 3.89Å; Y383-H456 AromaticContact CG-CG 3.92Å; Y383-H456 AromaticContact CG-NE2 3.45Å; Y383-I459 HydrophobicContact CE1-CB 4.19Å; Y383-I459 HydrophobicContact CE1-CG1 3.98Å |
| 384 | T | 97 | Very high | 98.2 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.3 | -50.5 | 175.6 | -48.9 | 0 | 0 | 0 | 0 | 111.9 | E274 T382 V386 W387 H388 | E274-T384 VanDerWaalsContact OE1-CB 3.25Å; E274-T384 WeakPolarHBondContact OE1-CB 3.49Å; E274-T384 PolarHBondContact OE1-OG1 3.34Å; T382-T384 PolarHBondContact O-N 3.34Å; T382-T384 PolarHBondContact OG1-N 3.33Å; T384-V386 PolarHBondContact O-N 3.08Å; T384-W387 PolarHBondContact O-N 3.44Å; T384-H388 PolarHBondContact O-N 3.48Å |
| 385 | K | 98.2 | Very high | 98.1 | Very high | 70 Ų | 70 | 46.6 Ų | 46.6 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.1 | -45.7 | -180 | -72.1 | 179.6 | -179 | 178.1 | 0 | 112 | T382 W387 H388 I389 L396 Y400 | T382-K385 PolarHBondContact O-N 2.83Å; T382-K385 VanDerWaalsContact O-N 3.12Å; T382-K385 WeakPolarHBondContact OG1-CG 3.19Å; T382-K385 PolarHBondContact OG1-N 3.33Å; T382-K385 VanDerWaalsContact OG1-N 3.12Å; K385-W387 VanDerWaalsContact C-N 3.33Å; K385-W387 PolarHBondContact O-N 2.67Å; K385-H388 PolarHBondContact O-N 2.98Å; K385-I389 VanDerWaalsContact O-CG1 3.27Å; K385-I389 WeakPolarHBondContact O-CG1 3.2Å; K385-I389 PolarHBondContact O-N 2.95Å; K385-L396 HydrophobicContact CB-CD1 4.33Å; K385-L396 HydrophobicContact CB-CD2 4.41Å; K385-L396 HydrophobicContact CD-CD2 4.31Å; K385-L396 HydrophobicContact CG-CD1 4.4Å; K385-L396 HydrophobicContact CG-CD2 4.04Å; K385-Y400 HydrophobicContact CD-CE2 4.49Å |
| 386 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 179.8 | 175 | 0 | 0 | 0 | 0 | 110.4 | I271 L381 T382 T384 H388 I389 L390 L407 A455 L458 | I271-V386 HydrophobicContact CD1-CG1 4.43Å; I271-V386 HydrophobicContact CD1-CG2 3.92Å; I271-V386 HydrophobicContact CG1-CG2 4.01Å; I271-V386 HydrophobicContact CG2-CB 4.39Å; I271-V386 HydrophobicContact CG2-CG2 3.8Å; L381-V386 HydrophobicContact CB-CG2 3.81Å; L381-V386 HydrophobicContact CD1-CG2 3.89Å; L381-V386 HydrophobicContact CG-CG2 4.42Å; T382-V386 WeakPolarHBondContact O-CG2 3.28Å; T382-V386 PolarHBondContact O-N 3.37Å; T384-V386 PolarHBondContact O-N 3.08Å; V386-H388 PolarHBondContact O-N 3.33Å; V386-I389 WeakPolarHBondContact O-CB 3.18Å; V386-I389 PolarHBondContact O-N 2.62Å; V386-L390 HydrophobicContact CG1-CD1 4.05Å; V386-L390 HydrophobicContact CG1-CG 4.38Å; V386-L390 VanDerWaalsContact O-CG 3.28Å; V386-L390 WeakPolarHBondContact O-CG 3.35Å; V386-L390 PolarHBondContact O-N 2.82Å; V386-L407 HydrophobicContact CG1-CD2 4.37Å; V386-L407 HydrophobicContact CG2-CD2 4.34Å; V386-A455 HydrophobicContact CB-CB 3.89Å; V386-A455 HydrophobicContact CG1-CB 3.85Å; V386-L458 HydrophobicContact CG1-CD2 4.34Å |
| 387 | W | 98.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 25% | 0.25 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 176.8 | -179.9 | -122.1 | 0 | 0 | 0 | 112.4 | Y383 T384 K385 I389 L390 Q391 N453 D454 A455 | Y383-W387 WeakPolarHBondContact O-CB 3.48Å; Y383-W387 PolarHBondContact O-N 3Å; T384-W387 PolarHBondContact O-N 3.44Å; K385-W387 VanDerWaalsContact C-N 3.33Å; K385-W387 PolarHBondContact O-N 2.67Å; W387-I389 PolarHBondContact O-N 3.13Å; W387-L390 PolarHBondContact O-N 2.82Å; W387-Q391 HydrophobicContact CD2-CG 4.17Å; W387-Q391 VanDerWaalsContact CE2-CD 3.43Å; W387-Q391 HydrophobicContact CH2-CG 4.3Å; W387-Q391 HydrophobicContact CZ2-CG 3.92Å; W387-Q391 VanDerWaalsContact NE1-CD 3.31Å; W387-Q391 WeakPolarHBondContact O-CG 3.17Å; W387-Q391 PolarHBondContact O-N 2.88Å; W387-N453 HydrophobicContact CB-CB 4.41Å; W387-N453 WeakPolarHBondContact CB-ND2 3.39Å; W387-N453 HydrophobicContact CD2-CB 3.77Å; W387-N453 HydrophobicContact CE3-CB 4.28Å; W387-N453 HydrophobicContact CG-CB 3.81Å; W387-D454 HydrophobicContact CE3-CB 3.98Å; W387-D454 HydrophobicContact CZ3-CB 3.64Å; W387-A455 HydrophobicContact CB-CB 4.23Å |
| 388 | H | 98.4 | Very high | 98.1 | Very high | 75 Ų | 75 | 56.1 Ų | 56.1 | 35% | 0.347 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 176 | -67.5 | 174.5 | 0 | 0 | 0 | 112.7 | T384 K385 V386 L390 Q391 G392 D393 L396 | T384-H388 PolarHBondContact O-N 3.48Å; K385-H388 PolarHBondContact O-N 2.98Å; V386-H388 PolarHBondContact O-N 3.33Å; H388-L390 VanDerWaalsContact C-N 3.31Å; H388-L390 PolarHBondContact O-N 2.96Å; H388-Q391 CarbonylContact O-C 3.59Å; H388-Q391 PolarHBondContact O-N 2.99Å; H388-Q391 VanDerWaalsContact O-N 3.14Å; H388-G392 PolarHBondContact O-N 2.97Å; H388-G392 VanDerWaalsContact O-N 3.12Å; H388-D393 HydrophobicContact CB-CB 3.89Å; H388-D393 VanDerWaalsContact O-CB 3.28Å; H388-D393 WeakPolarHBondContact O-CB 3.48Å; H388-D393 PolarHBondContact O-N 3.13Å; H388-L396 HydrophobicContact CB-CD1 3.58Å |
| 389 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 173.5 | -72.9 | 166.4 | 0 | 0 | 0 | 111.3 | K385 V386 W387 Q391 G392 L396 R397 Y400 V404 L407 | K385-I389 VanDerWaalsContact O-CG1 3.27Å; K385-I389 WeakPolarHBondContact O-CG1 3.2Å; K385-I389 PolarHBondContact O-N 2.95Å; V386-I389 WeakPolarHBondContact O-CB 3.18Å; V386-I389 PolarHBondContact O-N 2.62Å; W387-I389 PolarHBondContact O-N 3.13Å; I389-Q391 VanDerWaalsContact C-N 3.3Å; I389-Q391 PolarHBondContact O-N 3.4Å; I389-G392 PolarHBondContact O-N 2.83Å; I389-L396 HydrophobicContact CD1-CB 4.2Å; I389-L396 HydrophobicContact CG1-CB 3.56Å; I389-L396 HydrophobicContact CG1-CD1 4.45Å; I389-R397 HydrophobicContact CB-CG 4.47Å; I389-R397 HydrophobicContact CG2-CG 4.06Å; I389-R397 PolarHBondContact O-NH1 3.48Å; I389-Y400 HydrophobicContact CD1-CD2 3.93Å; I389-Y400 HydrophobicContact CD1-CG 4.36Å; I389-V404 HydrophobicContact CG2-CG2 4.26Å; I389-L407 HydrophobicContact CD1-CD1 3.83Å; I389-L407 HydrophobicContact CG2-CD1 3.98Å |
| 390 | L | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 59.6 Ų | 59.6 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.4 | -27.3 | 178.2 | -65.5 | 174.5 | 0 | 0 | 0 | 112.4 | V386 W387 H388 G392 E408 H411 L458 | V386-L390 HydrophobicContact CG1-CD1 4.05Å; V386-L390 HydrophobicContact CG1-CG 4.38Å; V386-L390 VanDerWaalsContact O-CG 3.28Å; V386-L390 WeakPolarHBondContact O-CG 3.35Å; V386-L390 PolarHBondContact O-N 2.82Å; W387-L390 PolarHBondContact O-N 2.82Å; H388-L390 VanDerWaalsContact C-N 3.31Å; H388-L390 PolarHBondContact O-N 2.96Å; L390-G392 VanDerWaalsContact C-N 3.32Å; L390-E408 HydrophobicContact CD2-CG 4.32Å; L390-H411 HydrophobicContact CD1-CB 4.02Å; L390-H411 HydrophobicContact CD2-CB 3.75Å; L390-L458 HydrophobicContact CD1-CD2 4.3Å |
| 391 | Q | 98.2 | Very high | 98.1 | Very high | 121 Ų | 121 | 60.1 Ų | 60.1 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -81.2 | -8.2 | 173.7 | -71.1 | -173.8 | -53.3 | 0 | 0 | 114 | W387 H388 I389 | W387-Q391 HydrophobicContact CD2-CG 4.17Å; W387-Q391 VanDerWaalsContact CE2-CD 3.43Å; W387-Q391 HydrophobicContact CH2-CG 4.3Å; W387-Q391 HydrophobicContact CZ2-CG 3.92Å; W387-Q391 VanDerWaalsContact NE1-CD 3.31Å; W387-Q391 WeakPolarHBondContact O-CG 3.17Å; W387-Q391 PolarHBondContact O-N 2.88Å; H388-Q391 CarbonylContact O-C 3.59Å; H388-Q391 PolarHBondContact O-N 2.99Å; H388-Q391 VanDerWaalsContact O-N 3.14Å; I389-Q391 VanDerWaalsContact C-N 3.3Å; I389-Q391 PolarHBondContact O-N 3.4Å |
| 392 | G | 97.8 | Very high | 98.1 | Very high | 44 Ų | 44 | 65.2 Ų | 65.2 | 45% | 0.454 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | 16.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H388 I389 L390 Q394 | H388-G392 PolarHBondContact O-N 2.97Å; H388-G392 VanDerWaalsContact O-N 3.12Å; I389-G392 PolarHBondContact O-N 2.83Å; L390-G392 VanDerWaalsContact C-N 3.32Å; G392-Q394 PolarHBondContact O-N 3.23Å |
| 393 | D | 98.3 | Very high | 98.1 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 32% | 0.316 | 34% | 0.338 | S | S | . | . | trans | -55.8 | 118.6 | 175.9 | -178.3 | -97.4 | 0 | 0 | 0 | 111.4 | H388 L396 R397 | H388-D393 HydrophobicContact CB-CB 3.89Å; H388-D393 VanDerWaalsContact O-CB 3.28Å; H388-D393 WeakPolarHBondContact O-CB 3.48Å; H388-D393 PolarHBondContact O-N 3.13Å; D393-L396 HydrophobicContact CB-CB 4.45Å; D393-L396 HydrophobicContact CB-CD1 4.36Å; D393-L396 WeakPolarHBondContact OD1-CB 3.47Å; D393-L396 WeakPolarHBondContact OD1-CD1 3.31Å; D393-L396 WeakPolarHBondContact OD1-CG 3.49Å; D393-L396 PolarHBondContact OD1-N 3.37Å; D393-R397 VanDerWaalsContact O-CB 3.25Å; D393-R397 WeakPolarHBondContact O-CB 3.32Å; D393-R397 WeakPolarHBondContact O-CD 3.48Å; D393-R397 WeakPolarHBondContact O-CG 3.37Å; D393-R397 PolarHBondContact O-N 3.42Å; D393-R397 VanDerWaalsContact O-N 3.08Å | ||
| 394 | Q | 97.8 | Very high | 98.1 | Very high | 131 Ų | 131 | 63.8 Ų | 63.8 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.3 | -47.5 | -171 | -176.5 | 176.7 | -2.7 | 0 | 0 | 111.6 | G392 L396 R397 E398 | G392-Q394 PolarHBondContact O-N 3.23Å; Q394-L396 PolarHBondContact O-N 2.89Å; Q394-R397 PolarHBondContact O-N 2.83Å; Q394-E398 HydrophobicContact CG-CG 4.41Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.33Å; Q394-E398 PolarHBondContact NE2-OE1 2.98Å; Q394-E398 WeakPolarHBondContact O-CG 3.4Å; Q394-E398 PolarHBondContact O-N 2.69Å |
| 395 | D | 98 | Very high | 98.2 | Very high | 119 Ų | 119 | 68.7 Ų | 68.7 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | -175.1 | -69 | -10.9 | 0 | 0 | 0 | 111.4 | E398 Q399 | D395-E398 PolarHBondContact O-N 3.04Å; D395-Q399 WeakPolarHBondContact O-CB 3.44Å; D395-Q399 PolarHBondContact O-N 2.86Å |
| 396 | L | 98.3 | Very high | 98.2 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 177.3 | -69 | 169.8 | 0 | 0 | 0 | 112.1 | K385 H388 I389 D393 Q394 E398 Q399 Y400 | K385-L396 HydrophobicContact CB-CD1 4.33Å; K385-L396 HydrophobicContact CB-CD2 4.41Å; K385-L396 HydrophobicContact CD-CD2 4.31Å; K385-L396 HydrophobicContact CG-CD1 4.4Å; K385-L396 HydrophobicContact CG-CD2 4.04Å; H388-L396 HydrophobicContact CB-CD1 3.58Å; I389-L396 HydrophobicContact CD1-CB 4.2Å; I389-L396 HydrophobicContact CG1-CB 3.56Å; I389-L396 HydrophobicContact CG1-CD1 4.45Å; D393-L396 HydrophobicContact CB-CB 4.45Å; D393-L396 HydrophobicContact CB-CD1 4.36Å; D393-L396 WeakPolarHBondContact OD1-CB 3.47Å; D393-L396 WeakPolarHBondContact OD1-CD1 3.31Å; D393-L396 WeakPolarHBondContact OD1-CG 3.49Å; D393-L396 PolarHBondContact OD1-N 3.37Å; Q394-L396 PolarHBondContact O-N 2.89Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-Q399 PolarHBondContact O-N 3.45Å; L396-Y400 HydrophobicContact CD2-CD2 4.39Å; L396-Y400 HydrophobicContact CD2-CE2 3.95Å; L396-Y400 VanDerWaalsContact O-CD2 3.32Å; L396-Y400 WeakPolarHBondContact O-CD2 3.46Å; L396-Y400 PolarHBondContact O-N 3.19Å |
| 397 | R | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 68 Ų | 68 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.6 | -34.3 | 177.3 | -74.2 | 172.7 | 74.3 | 83.4 | 3.1 | 112.3 | I389 D393 Q394 A401 V404 E408 | I389-R397 HydrophobicContact CB-CG 4.47Å; I389-R397 HydrophobicContact CG2-CG 4.06Å; I389-R397 PolarHBondContact O-NH1 3.48Å; D393-R397 VanDerWaalsContact O-CB 3.25Å; D393-R397 WeakPolarHBondContact O-CB 3.32Å; D393-R397 WeakPolarHBondContact O-CD 3.48Å; D393-R397 WeakPolarHBondContact O-CG 3.37Å; D393-R397 PolarHBondContact O-N 3.42Å; D393-R397 VanDerWaalsContact O-N 3.08Å; Q394-R397 PolarHBondContact O-N 2.83Å; R397-A401 WeakPolarHBondContact O-CA 3.29Å; R397-A401 WeakPolarHBondContact O-CB 3.41Å; R397-A401 PolarHBondContact O-N 3.11Å; R397-V404 HydrophobicContact CB-CG2 4.14Å; R397-V404 HydrophobicContact CG-CG2 4.17Å; R397-V404 VanDerWaalsContact CZ-CG1 3.42Å; R397-V404 VanDerWaalsContact NH1-CG1 3.35Å; R397-V404 VanDerWaalsContact NH2-CG1 3.35Å; R397-E408 IonicContact CZ-OE1 3.39Å; R397-E408 VanDerWaalsContact CZ-OE1 3.29Å; R397-E408 IonicContact NH1-OE1 3.49Å; R397-E408 PolarHBondContact NH1-OE1 2.93Å; R397-E408 IonicContact NH2-OE1 2.61Å; R397-E408 PolarHBondContact NH2-OE1 2.64Å |
| 398 | E | 98 | Very high | 98.2 | Very high | 124 Ų | 124 | 68 Ų | 68 | 58% | 0.579 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69.8 | -46.4 | 171.9 | -73 | -178.8 | -166.4 | 0 | 0 | 110.9 | Q394 D395 L396 Y400 A401 | Q394-E398 HydrophobicContact CG-CG 4.41Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.33Å; Q394-E398 PolarHBondContact NE2-OE1 2.98Å; Q394-E398 WeakPolarHBondContact O-CG 3.4Å; Q394-E398 PolarHBondContact O-N 2.69Å; D395-E398 PolarHBondContact O-N 3.04Å; L396-E398 VanDerWaalsContact C-N 3.33Å; E398-Y400 VanDerWaalsContact C-N 3.35Å; E398-Y400 PolarHBondContact O-N 3.38Å; E398-A401 WeakPolarHBondContact O-CB 3.46Å; E398-A401 PolarHBondContact O-N 3.24Å |
| 399 | Q | 97.9 | Very high | 98.2 | Very high | 124 Ų | 124 | 65.6 Ų | 65.6 | 58% | 0.579 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.9 | -42.9 | 178.5 | -177.1 | -180 | 8.1 | 0 | 0 | 112.8 | D395 L396 | D395-Q399 WeakPolarHBondContact O-CB 3.44Å; D395-Q399 PolarHBondContact O-N 2.86Å; L396-Q399 PolarHBondContact O-N 3.45Å |
| 400 | Y | 98.1 | Very high | 98.2 | Very high | 33 Ų | 33 | 65.7 Ų | 65.7 | 13% | 0.129 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 25.8 | -177.6 | -60.1 | -79.9 | 0 | 0 | 0 | 112.7 | A379 L381 K385 I389 L396 E398 P402 L403 V404 | A379-Y400 HydrophobicContact CB-CD1 4.38Å; A379-Y400 HydrophobicContact CB-CE1 4.25Å; L381-Y400 HydrophobicContact CD2-CD1 3.73Å; L381-Y400 HydrophobicContact CD2-CD2 4.34Å; L381-Y400 HydrophobicContact CD2-CE1 3.49Å; L381-Y400 VanDerWaalsContact CD2-CE1 3.49Å; L381-Y400 HydrophobicContact CD2-CE2 4.17Å; L381-Y400 HydrophobicContact CD2-CG 4.16Å; K385-Y400 HydrophobicContact CD-CE2 4.49Å; I389-Y400 HydrophobicContact CD1-CD2 3.93Å; I389-Y400 HydrophobicContact CD1-CG 4.36Å; L396-Y400 HydrophobicContact CD2-CD2 4.39Å; L396-Y400 HydrophobicContact CD2-CE2 3.95Å; L396-Y400 VanDerWaalsContact O-CD2 3.32Å; L396-Y400 WeakPolarHBondContact O-CD2 3.46Å; L396-Y400 PolarHBondContact O-N 3.19Å; E398-Y400 VanDerWaalsContact C-N 3.35Å; E398-Y400 PolarHBondContact O-N 3.38Å; Y400-P402 VanDerWaalsContact C-N 3.29Å; Y400-P402 WeakPolarHBondContact O-CD 3.3Å; Y400-L403 HydrophobicContact CD1-CD1 4.3Å; Y400-L403 WeakPolarHBondContact O-CA 3.43Å; Y400-L403 PolarHBondContact O-N 3.42Å; Y400-V404 PolarHBondContact O-N 3.12Å |
| 401 | A | 98.1 | Very high | 98.3 | Very high | 58 Ų | 58 | 65.2 Ų | 65.2 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -46 | -40.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R397 E398 L403 | R397-A401 WeakPolarHBondContact O-CA 3.29Å; R397-A401 WeakPolarHBondContact O-CB 3.41Å; R397-A401 PolarHBondContact O-N 3.11Å; E398-A401 WeakPolarHBondContact O-CB 3.46Å; E398-A401 PolarHBondContact O-N 3.24Å; A401-L403 VanDerWaalsContact C-N 3.25Å; A401-L403 PolarHBondContact O-N 2.98Å |
| 402 | P | 98 | Very high | 98.3 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64 | -26.4 | 176.7 | -23.3 | 35.7 | 0 | 0 | 0 | 114.5 | Y400 | Y400-P402 VanDerWaalsContact C-N 3.29Å; Y400-P402 WeakPolarHBondContact O-CD 3.3Å |
| 403 | L | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -97.8 | -18.5 | -174.2 | -62.5 | 172.7 | 0 | 0 | 0 | 113.3 | P267 V269 H378 A379 Y400 A401 K405 H406 L407 | P267-L403 HydrophobicContact CB-CD2 4.08Å; V269-L403 HydrophobicContact CG1-CD1 3.89Å; V269-L403 HydrophobicContact CG1-CD2 3.98Å; V269-L403 HydrophobicContact CG1-CG 4.49Å; H378-L403 HydrophobicContact CB-CD2 4.1Å; A379-L403 HydrophobicContact CB-CD1 3.54Å; Y400-L403 HydrophobicContact CD1-CD1 4.3Å; Y400-L403 WeakPolarHBondContact O-CA 3.43Å; Y400-L403 PolarHBondContact O-N 3.42Å; A401-L403 VanDerWaalsContact C-N 3.25Å; A401-L403 PolarHBondContact O-N 2.98Å; L403-K405 VanDerWaalsContact C-N 3.3Å; L403-K405 PolarHBondContact O-N 3.02Å; L403-H406 WeakPolarHBondContact O-CA 3.2Å; L403-H406 WeakPolarHBondContact O-CB 3.37Å; L403-H406 PolarHBondContact O-N 3.27Å; L403-L407 PolarHBondContact O-N 3.21Å |
| 404 | V | 98.5 | Very high | 98.3 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -50.7 | -47.7 | -174.8 | 171.4 | 0 | 0 | 0 | 0 | 112.3 | I389 R397 Y400 H406 L407 E408 | I389-V404 HydrophobicContact CG2-CG2 4.26Å; R397-V404 HydrophobicContact CB-CG2 4.14Å; R397-V404 HydrophobicContact CG-CG2 4.17Å; R397-V404 VanDerWaalsContact CZ-CG1 3.42Å; R397-V404 VanDerWaalsContact NH1-CG1 3.35Å; R397-V404 VanDerWaalsContact NH2-CG1 3.35Å; Y400-V404 PolarHBondContact O-N 3.12Å; V404-H406 VanDerWaalsContact C-N 3.28Å; V404-H406 PolarHBondContact O-N 2.93Å; V404-L407 PolarHBondContact O-N 3.13Å; V404-E408 HydrophobicContact CG1-CG 4.45Å; V404-E408 WeakPolarHBondContact CG1-OE1 3.26Å; V404-E408 WeakPolarHBondContact O-CG 3.26Å; V404-E408 PolarHBondContact O-N 3.27Å |
| 405 | K | 98.3 | Very high | 98.3 | Very high | 159 Ų | 159 | 56.8 Ų | 56.8 | 69% | 0.691 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.9 | -34.6 | 180 | -67.1 | -176.7 | -177.9 | 175.6 | 0 | 112.7 | L403 E409 | L403-K405 VanDerWaalsContact C-N 3.3Å; L403-K405 PolarHBondContact O-N 3.02Å; K405-E409 WeakPolarHBondContact O-CB 3.49Å; K405-E409 PolarHBondContact O-N 2.85Å |
| 406 | H | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 52.9 Ų | 52.9 | 24% | 0.236 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.6 | -36.9 | 179.6 | -57.9 | -49.8 | 0 | 0 | 0 | 111.6 | Y284 L403 V404 E409 L410 | Y284-H406 HydrophobicContact CD2-CB 4.36Å; Y284-H406 HydrophobicContact CE2-CB 4.09Å; Y284-H406 AromaticContact CE2-CE1 3.78Å; Y284-H406 AromaticContact CE2-CG 3.6Å; Y284-H406 AromaticContact CE2-ND1 3.44Å; Y284-H406 WeakPolarHBondContact CE2-ND1 3.41Å; Y284-H406 PolarHBondContact OH-CE1 3.27Å; L403-H406 WeakPolarHBondContact O-CA 3.2Å; L403-H406 WeakPolarHBondContact O-CB 3.37Å; L403-H406 PolarHBondContact O-N 3.27Å; V404-H406 VanDerWaalsContact C-N 3.28Å; V404-H406 PolarHBondContact O-N 2.93Å; H406-E409 PolarHBondContact O-N 2.92Å; H406-L410 PolarHBondContact O-N 3.45Å |
| 407 | L | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -43.3 | 172.2 | -63.3 | 175.3 | 0 | 0 | 0 | 111.5 | V269 I271 L381 V386 I389 L403 V404 E409 L410 H411 | V269-L407 HydrophobicContact CG2-CD2 4.24Å; I271-L407 HydrophobicContact CD1-CD2 4.21Å; L381-L407 HydrophobicContact CD1-CD1 4.03Å; L381-L407 HydrophobicContact CD1-CD2 3.87Å; V386-L407 HydrophobicContact CG1-CD2 4.37Å; V386-L407 HydrophobicContact CG2-CD2 4.34Å; I389-L407 HydrophobicContact CD1-CD1 3.83Å; I389-L407 HydrophobicContact CG2-CD1 3.98Å; L403-L407 PolarHBondContact O-N 3.21Å; V404-L407 PolarHBondContact O-N 3.13Å; L407-E409 VanDerWaalsContact C-N 3.28Å; L407-E409 PolarHBondContact O-N 3.23Å; L407-L410 PolarHBondContact O-N 3.08Å; L407-H411 PolarHBondContact O-N 2.72Å |
| 408 | E | 98.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 173 | -72.4 | 171.9 | 176.3 | 0 | 0 | 111.6 | L390 R397 V404 H411 N412 | L390-E408 HydrophobicContact CD2-CG 4.32Å; R397-E408 IonicContact CZ-OE1 3.39Å; R397-E408 VanDerWaalsContact CZ-OE1 3.29Å; R397-E408 IonicContact NH1-OE1 3.49Å; R397-E408 PolarHBondContact NH1-OE1 2.93Å; R397-E408 IonicContact NH2-OE1 2.61Å; R397-E408 PolarHBondContact NH2-OE1 2.64Å; V404-E408 HydrophobicContact CG1-CG 4.45Å; V404-E408 WeakPolarHBondContact CG1-OE1 3.26Å; V404-E408 WeakPolarHBondContact O-CG 3.26Å; V404-E408 PolarHBondContact O-N 3.27Å; E408-H411 PolarHBondContact O-N 3.33Å; E408-N412 PolarHBondContact O-N 3.01Å; E408-N412 PolarHBondContact O-ND2 2.96Å |
| 409 | E | 98.6 | Very high | 98 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 177.4 | -156.2 | 58.9 | -131.8 | 0 | 0 | 112.7 | K287 W293 K405 H406 L407 H411 N412 L413 | K287-E409 WeakPolarHBondContact CE-OE1 3.4Å; K287-E409 WeakPolarHBondContact CE-OE2 3.32Å; K287-E409 HydrophobicContact CG-CG 4.35Å; K287-E409 WeakPolarHBondContact CG-OE1 3.34Å; K287-E409 IonicContact NZ-OE2 2.78Å; W293-E409 PolarHBondContact NE1-OE1 3.01Å; K405-E409 WeakPolarHBondContact O-CB 3.49Å; K405-E409 PolarHBondContact O-N 2.85Å; H406-E409 PolarHBondContact O-N 2.92Å; L407-E409 VanDerWaalsContact C-N 3.28Å; L407-E409 PolarHBondContact O-N 3.23Å; E409-H411 VanDerWaalsContact C-N 3.3Å; E409-H411 PolarHBondContact O-N 2.9Å; E409-N412 WeakPolarHBondContact O-CB 3.49Å; E409-N412 PolarHBondContact O-N 2.85Å; E409-L413 PolarHBondContact O-N 3.21Å |
| 410 | L | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 171.1 | -76.4 | 165.7 | 0 | 0 | 0 | 111.2 | V283 C285 L295 H406 L407 L413 Y414 L458 | V283-L410 HydrophobicContact CB-CD1 4.46Å; V283-L410 HydrophobicContact CB-CD2 4.31Å; V283-L410 HydrophobicContact CG2-CD1 3.74Å; V283-L410 HydrophobicContact CG2-CD2 4.35Å; C285-L410 HydrophobicContact CB-CD2 3.95Å; C285-L410 PolarHBondContact SG-N 3.35Å; C285-L410 VanDerWaalsContact SG-N 3.45Å; L295-L410 HydrophobicContact CD1-CD2 4.12Å; H406-L410 PolarHBondContact O-N 3.45Å; L407-L410 PolarHBondContact O-N 3.08Å; L410-L413 PolarHBondContact O-N 3.48Å; L410-Y414 WeakPolarHBondContact O-CB 3.47Å; L410-Y414 PolarHBondContact O-N 3.02Å; L410-L458 HydrophobicContact CB-CD1 4.43Å |
| 411 | H | 98.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 10% | 0.102 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 175.5 | -170.8 | -144 | 0 | 0 | 0 | 112.2 | L390 L407 E408 E409 Y414 K415 D454 | L390-H411 HydrophobicContact CD1-CB 4.02Å; L390-H411 HydrophobicContact CD2-CB 3.75Å; L407-H411 PolarHBondContact O-N 2.72Å; E408-H411 PolarHBondContact O-N 3.33Å; E409-H411 VanDerWaalsContact C-N 3.3Å; E409-H411 PolarHBondContact O-N 2.9Å; H411-Y414 AromaticContact CD2-CD1 3.58Å; H411-Y414 PolarHBondContact O-N 3.37Å; H411-K415 WeakPolarHBondContact CE1-CE 3.42Å; H411-K415 WeakPolarHBondContact O-CG 3.46Å; H411-K415 PolarHBondContact O-N 2.71Å; H411-K415 VanDerWaalsContact O-N 3.09Å; H411-D454 IonicContact CD2-OD2 3.31Å; H411-D454 IonicContact CE1-OD2 3.25Å; H411-D454 IonicContact NE2-OD2 2.64Å; H411-D454 PolarHBondContact NE2-OD2 3.03Å |
| 412 | N | 98.5 | Very high | 97.3 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -44.5 | 174.1 | -69.9 | -34 | 0 | 0 | 0 | 111.8 | W293 E408 E409 | W293-N412 HydrophobicContact CZ2-CB 4.26Å; E408-N412 PolarHBondContact O-N 3.01Å; E408-N412 PolarHBondContact O-ND2 2.96Å; E409-N412 WeakPolarHBondContact O-CB 3.49Å; E409-N412 PolarHBondContact O-N 2.85Å |
| 413 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -50.9 | 174.5 | 172.2 | 58.3 | 0 | 0 | 0 | 110.7 | C285 W293 L295 V359 E409 L410 K415 V416 L417 | C285-L413 HydrophobicContact CB-CD2 4.14Å; W293-L413 HydrophobicContact CB-CD1 4.02Å; W293-L413 HydrophobicContact CB-CD2 4.37Å; W293-L413 HydrophobicContact CD2-CB 4.18Å; W293-L413 HydrophobicContact CD2-CD1 3.85Å; W293-L413 HydrophobicContact CE3-CD1 3.8Å; W293-L413 HydrophobicContact CG-CB 4.13Å; W293-L413 HydrophobicContact CG-CD1 3.93Å; W293-L413 HydrophobicContact CG-CG 4.42Å; L295-L413 HydrophobicContact CB-CD2 4.11Å; L295-L413 HydrophobicContact CD1-CD2 4.11Å; L295-L413 HydrophobicContact CD2-CD2 4.14Å; L295-L413 HydrophobicContact CG-CD2 4.34Å; V359-L413 HydrophobicContact CB-CD1 4.13Å; V359-L413 HydrophobicContact CG1-CD1 3.93Å; V359-L413 HydrophobicContact CG2-CD1 4.25Å; E409-L413 PolarHBondContact O-N 3.21Å; L410-L413 PolarHBondContact O-N 3.48Å; L413-K415 PolarHBondContact O-N 2.98Å; L413-V416 PolarHBondContact O-N 3.33Å; L413-L417 HydrophobicContact CD1-CD1 4.04Å; L413-L417 HydrophobicContact CD1-CD2 4.11Å; L413-L417 HydrophobicContact CD1-CG 3.92Å; L413-L417 HydrophobicContact CD2-CD1 4.49Å; L413-L417 HydrophobicContact CG-CD1 3.89Å; L413-L417 HydrophobicContact CG-CG 4.19Å; L413-L417 WeakPolarHBondContact O-CG 3.2Å; L413-L417 PolarHBondContact O-N 3.39Å |
| 414 | Y | 98.2 | Very high | 96.6 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.2 | -48.6 | 179.6 | 151.8 | -105.3 | 0 | 0 | 0 | 112.8 | L410 H411 V416 L417 D418 D454 K457 L458 E461 | L410-Y414 WeakPolarHBondContact O-CB 3.47Å; L410-Y414 PolarHBondContact O-N 3.02Å; H411-Y414 AromaticContact CD2-CD1 3.58Å; H411-Y414 PolarHBondContact O-N 3.37Å; Y414-V416 PolarHBondContact O-N 2.67Å; Y414-V416 VanDerWaalsContact O-N 3.13Å; Y414-L417 WeakPolarHBondContact O-CA 3.24Å; Y414-L417 WeakPolarHBondContact O-CB 3.39Å; Y414-L417 PolarHBondContact O-N 2.61Å; Y414-D418 HydrophobicContact CD2-CB 4.37Å; Y414-D418 HydrophobicContact CE2-CB 3.91Å; Y414-D418 PolarHBondContact O-N 3.4Å; Y414-D454 HydrophobicContact CD1-CB 4.42Å; Y414-D454 HydrophobicContact CE1-CB 3.79Å; Y414-D454 VanDerWaalsContact CE1-CG 3.4Å; Y414-D454 WeakPolarHBondContact CE1-OD1 3.31Å; Y414-D454 PolarHBondContact OH-OD1 3.43Å; Y414-K457 HydrophobicContact CD2-CB 4.14Å; Y414-K457 HydrophobicContact CE2-CB 3.36Å; Y414-K457 HydrophobicContact CE2-CD 4.35Å; Y414-K457 HydrophobicContact CE2-CG 4.49Å; Y414-K457 WeakPolarHBondContact OH-CD 3.48Å; Y414-L458 HydrophobicContact CD1-CB 4.5Å; Y414-L458 HydrophobicContact CD2-CB 4.3Å; Y414-L458 HydrophobicContact CG-CB 3.86Å; Y414-E461 HydrophobicContact CD2-CG 4.18Å |
| 415 | K | 98.1 | Very high | 96 | Very high | 108 Ų | 108 | 49 Ų | 49 | 47% | 0.47 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.3 | -36.2 | 180 | -73.7 | 175.5 | -179.7 | 171.6 | 0 | 112.7 | H411 L413 K419 | H411-K415 WeakPolarHBondContact CE1-CE 3.42Å; H411-K415 WeakPolarHBondContact O-CG 3.46Å; H411-K415 PolarHBondContact O-N 2.71Å; H411-K415 VanDerWaalsContact O-N 3.09Å; L413-K415 PolarHBondContact O-N 2.98Å; K415-K419 PolarHBondContact O-N 2.86Å |
| 416 | V | 98 | Very high | 95.3 | Very high | 37 Ų | 37 | 42 Ų | 42 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -79.3 | -32.4 | 178.4 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | W293 S361 K362 L413 Y414 A420 | W293-V416 HydrophobicContact CH2-CB 4.36Å; W293-V416 HydrophobicContact CH2-CG2 3.71Å; W293-V416 HydrophobicContact CZ3-CB 4.23Å; W293-V416 HydrophobicContact CZ3-CG1 4.3Å; W293-V416 HydrophobicContact CZ3-CG2 4.05Å; S361-V416 VanDerWaalsContact O-CG1 3.32Å; S361-V416 WeakPolarHBondContact O-CG1 3.37Å; K362-V416 VanDerWaalsContact C-CG1 3.47Å; L413-V416 PolarHBondContact O-N 3.33Å; Y414-V416 PolarHBondContact O-N 2.67Å; Y414-V416 VanDerWaalsContact O-N 3.13Å; V416-A420 WeakPolarHBondContact O-CB 3.48Å; V416-A420 PolarHBondContact O-N 2.86Å |
| 417 | L | 97.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -44.7 | 174.2 | -63.7 | -178.6 | 0 | 0 | 0 | 112.2 | V359 G363 L413 Y414 K419 A420 R421 E461 L465 | V359-L417 HydrophobicContact CG1-CD2 3.92Å; G363-L417 WeakPolarHBondContact O-CD2 3.46Å; L413-L417 HydrophobicContact CD1-CD1 4.04Å; L413-L417 HydrophobicContact CD1-CD2 4.11Å; L413-L417 HydrophobicContact CD1-CG 3.92Å; L413-L417 HydrophobicContact CD2-CD1 4.49Å; L413-L417 HydrophobicContact CG-CD1 3.89Å; L413-L417 HydrophobicContact CG-CG 4.19Å; L413-L417 WeakPolarHBondContact O-CG 3.2Å; L413-L417 PolarHBondContact O-N 3.39Å; Y414-L417 WeakPolarHBondContact O-CA 3.24Å; Y414-L417 WeakPolarHBondContact O-CB 3.39Å; Y414-L417 PolarHBondContact O-N 2.61Å; L417-K419 VanDerWaalsContact C-N 3.34Å; L417-K419 PolarHBondContact O-N 2.87Å; L417-A420 CarbonylContact O-C 3.55Å; L417-A420 WeakPolarHBondContact O-CA 3.37Å; L417-A420 WeakPolarHBondContact O-CB 3.45Å; L417-A420 PolarHBondContact O-N 3.03Å; L417-A420 VanDerWaalsContact O-N 3.08Å; L417-R421 PolarHBondContact O-N 3.07Å; L417-E461 HydrophobicContact CB-CB 4.02Å; L417-E461 HydrophobicContact CB-CG 4.29Å; L417-E461 HydrophobicContact CD1-CB 3.87Å; L417-L465 HydrophobicContact CD1-CD1 3.64Å; L417-L465 HydrophobicContact CD1-CG 4.22Å; L417-L465 HydrophobicContact CD2-CD1 3.73Å; L417-L465 HydrophobicContact CD2-CD2 4.38Å; L417-L465 HydrophobicContact CD2-CG 4.33Å; L417-L465 HydrophobicContact CG-CD1 4.35Å |
| 418 | D | 95 | Very high | 93.6 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.2 | -173.2 | 55.2 | 0 | 0 | 0 | 110.7 | Y414 A420 R421 E422 | Y414-D418 HydrophobicContact CD2-CB 4.37Å; Y414-D418 HydrophobicContact CE2-CB 3.91Å; Y414-D418 PolarHBondContact O-N 3.4Å; D418-A420 VanDerWaalsContact C-N 3.31Å; D418-A420 PolarHBondContact O-N 3.1Å; D418-R421 WeakPolarHBondContact O-CB 3.34Å; D418-R421 PolarHBondContact O-N 3.19Å; D418-E422 PolarHBondContact O-N 3.29Å |
| 419 | K | 95.4 | Very high | 92.3 | Very high | 97 Ų | 97 | 42.1 Ų | 42.1 | 42% | 0.422 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 173.8 | -168.8 | 56 | 171.3 | 175.6 | 0 | 112.9 | K415 L417 R421 E422 E423 | K415-K419 PolarHBondContact O-N 2.86Å; L417-K419 VanDerWaalsContact C-N 3.34Å; L417-K419 PolarHBondContact O-N 2.87Å; K419-R421 VanDerWaalsContact C-N 3.31Å; K419-R421 PolarHBondContact O-N 2.88Å; K419-E422 WeakPolarHBondContact CD-OE2 3.08Å; K419-E422 IonicContact NZ-OE1 2.86Å; K419-E422 PolarHBondContact NZ-OE1 3.3Å; K419-E422 IonicContact NZ-OE2 3.26Å; K419-E422 PolarHBondContact NZ-OE2 2.83Å; K419-E422 WeakPolarHBondContact O-CB 3.49Å; K419-E422 PolarHBondContact O-N 3.27Å; K419-E423 WeakPolarHBondContact O-CG 3.17Å; K419-E423 PolarHBondContact O-N 3.21Å |
| 420 | A | 95 | Very high | 90.8 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.7 | -26.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V416 L417 D418 R424 | V416-A420 WeakPolarHBondContact O-CB 3.48Å; V416-A420 PolarHBondContact O-N 2.86Å; L417-A420 CarbonylContact O-C 3.55Å; L417-A420 WeakPolarHBondContact O-CA 3.37Å; L417-A420 WeakPolarHBondContact O-CB 3.45Å; L417-A420 PolarHBondContact O-N 3.03Å; L417-A420 VanDerWaalsContact O-N 3.08Å; D418-A420 VanDerWaalsContact C-N 3.31Å; D418-A420 PolarHBondContact O-N 3.1Å; A420-R424 WeakPolarHBondContact O-CB 3.23Å; A420-R424 PolarHBondContact O-N 3.28Å; A420-R424 PolarHBondContact O-NH1 3.39Å |
| 421 | R | 92.2 | Very high | 89.3 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.7 | -44.1 | 171.5 | 177.8 | 176 | -179.9 | 173.7 | -2 | 111 | L417 D418 K419 R424 G425 G426 E460 E461 | L417-R421 PolarHBondContact O-N 3.07Å; D418-R421 WeakPolarHBondContact O-CB 3.34Å; D418-R421 PolarHBondContact O-N 3.19Å; K419-R421 VanDerWaalsContact C-N 3.31Å; K419-R421 PolarHBondContact O-N 2.88Å; R421-R424 PolarHBondContact O-N 3.28Å; R421-G425 PolarHBondContact O-N 3.46Å; R421-G426 PolarHBondContact O-N 2.85Å; R421-E460 IonicContact CZ-OE1 2.8Å; R421-E460 IonicContact NH1-OE1 3.58Å; R421-E460 PolarHBondContact NH1-OE1 3.31Å; R421-E460 IonicContact NH2-OE1 3.44Å; R421-E461 WeakPolarHBondContact CD-OE1 3.47Å; R421-E461 IonicContact CZ-OE1 3.57Å; R421-E461 IonicContact NE-OE1 3.38Å; R421-E461 IonicContact NH1-OE1 2.76Å; R421-E461 PolarHBondContact NH1-OE1 2.88Å |
| 422 | E | 91.2 | Very high | 88.3 | Confident | 112 Ų | 112 | 58.7 Ų | 58.7 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57 | -52.3 | 173 | -166.1 | -156.9 | 112 | 0 | 0 | 110.8 | D418 K419 R424 G425 | D418-E422 PolarHBondContact O-N 3.29Å; K419-E422 WeakPolarHBondContact CD-OE2 3.08Å; K419-E422 IonicContact NZ-OE1 2.86Å; K419-E422 PolarHBondContact NZ-OE1 3.3Å; K419-E422 IonicContact NZ-OE2 3.26Å; K419-E422 PolarHBondContact NZ-OE2 2.83Å; K419-E422 WeakPolarHBondContact O-CB 3.49Å; K419-E422 PolarHBondContact O-N 3.27Å; E422-R424 PolarHBondContact O-N 3.38Å; E422-R424 VanDerWaalsContact O-N 3.13Å; E422-G425 PolarHBondContact O-N 3.26Å |
| 423 | E | 91.9 | Very high | 87.6 | Confident | 93 Ų | 93 | 61.6 Ų | 61.6 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.4 | -30.8 | 177.9 | -74.5 | -177.7 | -173.3 | 0 | 0 | 113.4 | K419 G425 R517 | K419-E423 WeakPolarHBondContact O-CG 3.17Å; K419-E423 PolarHBondContact O-N 3.21Å; E423-G425 VanDerWaalsContact C-N 3.29Å; E423-R517 PolarHBondContact O-NH2 2.9Å |
| 424 | R | 90.3 | Very high | 87.1 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -76.9 | -16.6 | 178.7 | -167.8 | 171 | 63.7 | -109.7 | 6.2 | 112.6 | A420 R421 E422 L558 A559 | A420-R424 WeakPolarHBondContact O-CB 3.23Å; A420-R424 PolarHBondContact O-N 3.28Å; A420-R424 PolarHBondContact O-NH1 3.39Å; R421-R424 PolarHBondContact O-N 3.28Å; E422-R424 PolarHBondContact O-N 3.38Å; E422-R424 VanDerWaalsContact O-N 3.13Å; R424-L558 PolarHBondContact NE-O 2.98Å; R424-L558 PolarHBondContact NH2-O 3.03Å; R424-A559 WeakPolarHBondContact CD-O 3.49Å; R424-A559 HydrophobicContact CG-CB 3.93Å; R424-A559 VanDerWaalsContact CG-O 3.29Å; R424-A559 WeakPolarHBondContact CG-O 3.48Å; R424-A559 PolarHBondContact NE-O 3.03Å; R424-A559 WeakPolarHBondContact O-CB 3.46Å |
| 425 | G | 87.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 29.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | R421 E422 E423 I427 P516 | R421-G425 PolarHBondContact O-N 3.46Å; E422-G425 PolarHBondContact O-N 3.26Å; E423-G425 VanDerWaalsContact C-N 3.29Å; G425-I427 PolarHBondContact O-N 3.21Å; G425-P516 CarbonylContact O-C 3.4Å; G425-P516 WeakPolarHBondContact O-CB 3.44Å |
| 426 | G | 81.9 | Confident | 86.4 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | trans | -62 | 123.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R421 S428 | R421-G426 PolarHBondContact O-N 2.85Å; G426-S428 PolarHBondContact O-N 3.16Å | ||
| 427 | I | 83.2 | Confident | 86.1 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | trans | -75.7 | 118.2 | 179.6 | -55.4 | 174.8 | 0 | 0 | 0 | 107.3 | G425 F429 P516 Y519 L523 L539 M543 F556 G557 | G425-I427 PolarHBondContact O-N 3.21Å; I427-F429 HydrophobicContact CB-CE2 4.39Å; I427-F429 HydrophobicContact CG2-CD2 4Å; I427-F429 HydrophobicContact CG2-CE1 4.22Å; I427-F429 HydrophobicContact CG2-CE2 3.37Å; I427-F429 HydrophobicContact CG2-CZ 3.51Å; I427-P516 HydrophobicContact CD1-CB 4.47Å; I427-P516 HydrophobicContact CG1-CB 4.35Å; I427-Y519 HydrophobicContact CD1-CG 4.28Å; I427-L523 HydrophobicContact CG2-CD1 3.74Å; I427-L539 HydrophobicContact CG2-CD2 4.45Å; I427-M543 HydrophobicContact CD1-CE 4.4Å; I427-M543 HydrophobicContact CD1-SD 4.48Å; I427-F556 HydrophobicContact CD1-CD1 4.16Å; I427-F556 HydrophobicContact CD1-CE1 3.8Å; I427-G557 PolarHBondContact N-O 2.87Å; I427-G557 VanDerWaalsContact N-O 3.07Å | ||
| 428 | S | 78.9 | Confident | 85.8 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | trans | -111.2 | 118 | 174.6 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | G426 | G426-S428 PolarHBondContact O-N 3.16Š| ||
| 429 | F | 71.6 | Confident | 85.6 | Confident | 43 Ų | 43 | 67 Ų | 67 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | trans | -97.7 | 128.8 | 167.9 | -58.5 | -86.1 | 0 | 0 | 0 | 107.6 | I427 S431 L523 L539 L540 | I427-F429 HydrophobicContact CB-CE2 4.39Å; I427-F429 HydrophobicContact CG2-CD2 4Å; I427-F429 HydrophobicContact CG2-CE1 4.22Å; I427-F429 HydrophobicContact CG2-CE2 3.37Å; I427-F429 HydrophobicContact CG2-CZ 3.51Å; F429-S431 VanDerWaalsContact C-N 3.32Å; F429-S431 PolarHBondContact O-N 2.73Å; F429-S431 VanDerWaalsContact O-N 3.09Å; F429-L523 HydrophobicContact CE1-CD1 4.42Å; F429-L539 HydrophobicContact CE1-CB 4.49Å; F429-L539 HydrophobicContact CE1-CD2 3.61Å; F429-L539 HydrophobicContact CZ-CD2 3.36Å; F429-L540 HydrophobicContact CD1-CB 4.28Å; F429-L540 HydrophobicContact CD2-CD1 3.92Å; F429-L540 HydrophobicContact CE1-CB 3.81Å; F429-L540 HydrophobicContact CE1-CD1 4.38Å; F429-L540 HydrophobicContact CE2-CD1 3.64Å; F429-L540 HydrophobicContact CG-CD1 4.38Å; F429-L540 HydrophobicContact CZ-CB 3.94Å; F429-L540 HydrophobicContact CZ-CD1 3.88Å | ||
| 430 | E | 66.2 | Low | 85.4 | Confident | 173 Ų | 173 | 67 Ų | 67 | 81% | 0.808 | 36% | 0.357 | S | S | * | . | trans | -76.1 | 92.4 | 163.6 | -66.7 | -166.7 | 160.7 | 0 | 0 | 107.2 | ||||
| 431 | S | 66.9 | Low | 85.1 | Confident | 73 Ų | 73 | 72.8 Ų | 72.8 | 51% | 0.51 | 38% | 0.382 | S | S | . | . | trans | -91.9 | 123.9 | 170.5 | 59.4 | 0 | 0 | 0 | 0 | 109.5 | F429 | F429-S431 VanDerWaalsContact C-N 3.32Å; F429-S431 PolarHBondContact O-N 2.73Å; F429-S431 VanDerWaalsContact O-N 3.09Å | ||
| 432 | E | 77.8 | Confident | 85 | Confident | 153 Ų | 153 | 77.4 Ų | 77.4 | 72% | 0.715 | 40% | 0.4 | S | S | * | . | trans | -82.8 | 115.5 | 168.2 | -54.4 | -166.4 | 146.7 | 0 | 0 | 108.8 | Q449 | E432-Q449 HydrophobicContact CB-CG 4.2Å; E432-Q449 PolarHBondContact OE1-NE2 3.38Å; E432-Q449 PolarHBondContact OE2-NE2 2.71Å | ||
| 433 | E | 84.3 | Confident | 85 | Confident | 121 Ų | 121 | 76.3 Ų | 76.3 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | trans | -98.3 | 146.6 | 178.9 | -62.8 | -179.2 | 173.8 | 0 | 0 | 112.7 | T450 | E433-T450 HydrophobicContact CB-CG2 4.02Å; E433-T450 WeakPolarHBondContact CB-OG1 3.49Å; E433-T450 PolarHBondContact N-OG1 3Å; E433-T450 PolarHBondContact O-N 3.26Å; E433-T450 PolarHBondContact O-OG1 3.45Å | ||
| 434 | A | 88.7 | Confident | 85 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 56% | 0.562 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 112.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I447 | A434-I447 HydrophobicContact CB-CG2 3.6Å |
| 435 | K | 89.1 | Confident | 85.2 | Confident | 94 Ų | 94 | 74.1 Ų | 74.1 | 41% | 0.409 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.4 | 162.3 | -170.7 | -179.5 | -179.5 | -177.2 | 0 | 110.6 | I437 E448 T450 | K435-I437 HydrophobicContact CD-CD1 4.14Å; K435-I437 HydrophobicContact CG-CD1 4.2Å; K435-E448 WeakPolarHBondContact CA-O 3.49Å; K435-E448 HydrophobicContact CB-CB 4.3Å; K435-E448 WeakPolarHBondContact CB-O 3.37Å; K435-E448 PolarHBondContact N-O 3.48Å; K435-E448 PolarHBondContact O-N 2.87Å; K435-T450 HydrophobicContact CB-CG2 3.87Å |
| 436 | F | 91.7 | Very high | 85.5 | Confident | 40 Ų | 40 | 79 Ų | 79 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125.2 | 174.6 | -58.7 | -22.5 | 0 | 0 | 0 | 110.7 | P326 F438 I444 I447 A631 K635 | P326-F436 HydrophobicContact CB-CD2 4.31Å; P326-F436 HydrophobicContact CG-CD2 4.44Å; F436-F438 HydrophobicContact CB-CD2 4.46Å; F436-F438 HydrophobicContact CB-CE1 4.29Å; F436-F438 HydrophobicContact CB-CE2 3.61Å; F436-F438 HydrophobicContact CB-CZ 3.48Å; F436-F438 VanDerWaalsContact CB-CZ 3.48Å; F436-F438 HydrophobicContact CD2-CZ 4.01Å; F436-F438 HydrophobicContact CG-CZ 4.24Å; F436-I444 HydrophobicContact CB-CD1 4.48Å; F436-I444 HydrophobicContact CB-CG1 4.33Å; F436-I444 HydrophobicContact CD1-CD1 3.89Å; F436-I444 HydrophobicContact CD2-CD1 4.05Å; F436-I444 HydrophobicContact CE1-CD1 4.1Å; F436-I444 HydrophobicContact CE2-CD1 4.24Å; F436-I444 HydrophobicContact CG-CD1 3.88Å; F436-I444 HydrophobicContact CG-CG1 4.25Å; F436-I444 HydrophobicContact CZ-CD1 4.27Å; F436-I447 HydrophobicContact CD1-CD1 4.4Å; F436-I447 HydrophobicContact CD1-CG1 4.06Å; F436-I447 HydrophobicContact CD1-CG2 4.25Å; F436-I447 HydrophobicContact CE1-CD1 4.15Å; F436-I447 HydrophobicContact CE1-CG1 4.3Å; F436-I447 HydrophobicContact CE1-CG2 4.32Å; F436-A631 HydrophobicContact CE2-CB 4.01Å; F436-A631 HydrophobicContact CZ-CB 4.47Å; F436-K635 HydrophobicContact CZ-CG 4.21Å |
| 437 | I | 91.4 | Very high | 86.1 | Confident | 31 Ų | 31 | 81.9 Ų | 81.9 | 16% | 0.159 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124.4 | 169.5 | -52 | -57.3 | 0 | 0 | 0 | 107.9 | K435 E445 R446 E448 | K435-I437 HydrophobicContact CD-CD1 4.14Å; K435-I437 HydrophobicContact CG-CD1 4.2Å; I437-E445 PolarHBondContact O-N 3.35Å; I437-R446 HydrophobicContact CB-CG 3.84Å; I437-R446 HydrophobicContact CG1-CG 3.93Å; I437-R446 HydrophobicContact CG2-CG 4.47Å; I437-R446 PolarHBondContact N-O 3.4Å; I437-E448 HydrophobicContact CG1-CG 4.07Å |
| 438 | F | 91.6 | Very high | 86.5 | Confident | 55 Ų | 55 | 85 Ų | 85 | 24% | 0.241 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 141.5 | -174.1 | -67.2 | -78.3 | 0 | 0 | 0 | 112.3 | P326 F436 R442 R443 I444 L634 | P326-F438 HydrophobicContact CB-CE1 4.19Å; P326-F438 HydrophobicContact CB-CE2 3.97Å; P326-F438 HydrophobicContact CB-CZ 3.33Å; F436-F438 HydrophobicContact CB-CD2 4.46Å; F436-F438 HydrophobicContact CB-CE1 4.29Å; F436-F438 HydrophobicContact CB-CE2 3.61Å; F436-F438 HydrophobicContact CB-CZ 3.48Å; F436-F438 VanDerWaalsContact CB-CZ 3.48Å; F436-F438 HydrophobicContact CD2-CZ 4.01Å; F436-F438 HydrophobicContact CG-CZ 4.24Å; F438-R442 WeakPolarHBondContact CD1-O 3.44Å; F438-R443 CarbonylContact C-O 3.59Å; F438-R443 VanDerWaalsContact CA-O 3.25Å; F438-R443 WeakPolarHBondContact CA-O 3.49Å; F438-I444 HydrophobicContact CE1-CG1 4.21Å; F438-L634 HydrophobicContact CE1-CD1 3.87Å; F438-L634 HydrophobicContact CE1-CD2 4.14Å; F438-L634 HydrophobicContact CZ-CD1 4.12Å |
| 439 | N | 91.8 | Very high | 87.1 | Confident | 53 Ų | 53 | 85.9 Ų | 85.9 | 28% | 0.283 | 43% | 0.425 | S | S | . | . | trans | -80.3 | -178.1 | 166.5 | 69.3 | 10.6 | 0 | 0 | 0 | 111.7 | E441 R442 R443 E445 | N439-E441 PolarHBondContact ND2-OE2 2.67Å; N439-E441 PolarHBondContact O-N 2.61Å; N439-E441 WeakPolarHBondContact OD1-CA 3.45Å; N439-E441 PolarHBondContact OD1-N 2.63Å; N439-E441 VanDerWaalsContact OD1-N 3.09Å; N439-E441 PolarHBondContact OD1-OE2 3.16Å; N439-R442 PolarHBondContact O-N 3.41Å; N439-R442 PolarHBondContact OD1-N 2.73Å; N439-R443 PolarHBondContact N-O 3.34Å; N439-R443 PolarHBondContact OD1-N 2.73Å; N439-R443 PolarHBondContact OD1-O 3.32Å; N439-E445 HydrophobicContact CB-CB 4.33Å | ||
| 440 | A | 91.1 | Very high | 87.8 | Confident | 97 Ų | 97 | 86.1 Ų | 86.1 | 80% | 0.802 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R442 | A440-R442 VanDerWaalsContact C-N 3.25Å; A440-R442 PolarHBondContact O-N 2.93Å |
| 441 | E | 88.1 | Confident | 88.8 | Confident | 132 Ų | 132 | 84.8 Ų | 84.8 | 62% | 0.617 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 7.1 | 177.1 | -61.9 | 70.3 | -148.3 | 0 | 0 | 113.3 | N439 R443 | N439-E441 PolarHBondContact ND2-OE2 2.67Å; N439-E441 PolarHBondContact O-N 2.61Å; N439-E441 WeakPolarHBondContact OD1-CA 3.45Å; N439-E441 PolarHBondContact OD1-N 2.63Å; N439-E441 VanDerWaalsContact OD1-N 3.09Å; N439-E441 PolarHBondContact OD1-OE2 3.16Å; E441-R443 VanDerWaalsContact C-N 3.26Å; E441-R443 PolarHBondContact O-N 3.48Å |
| 442 | R | 89.6 | Confident | 90 | Very high | 121 Ų | 121 | 86.5 Ų | 86.5 | 46% | 0.457 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 60.9 | 27.9 | -176.2 | -54.4 | -178 | 177.1 | -172.9 | -1.7 | 114 | T220 F438 N439 A440 | T220-R442 WeakPolarHBondContact CB-O 3.43Å; T220-R442 HydrophobicContact CG2-CB 4.45Å; T220-R442 PolarHBondContact OG1-O 2.89Å; F438-R442 WeakPolarHBondContact CD1-O 3.44Å; N439-R442 PolarHBondContact O-N 3.41Å; N439-R442 PolarHBondContact OD1-N 2.73Å; A440-R442 VanDerWaalsContact C-N 3.25Å; A440-R442 PolarHBondContact O-N 2.93Å |
| 443 | R | 90.7 | Very high | 90.8 | Very high | 90 Ų | 90 | 80.4 Ų | 80.4 | 34% | 0.34 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -98.2 | 158.8 | 170.6 | -62.8 | 179.6 | 173.3 | -131.1 | -4.3 | 110.3 | M218 F438 N439 E441 E445 D637 | M218-R443 PolarHBondContact O-NH2 3.29Å; F438-R443 CarbonylContact C-O 3.59Å; F438-R443 VanDerWaalsContact CA-O 3.25Å; F438-R443 WeakPolarHBondContact CA-O 3.49Å; N439-R443 PolarHBondContact N-O 3.34Å; N439-R443 PolarHBondContact OD1-N 2.73Å; N439-R443 PolarHBondContact OD1-O 3.32Å; E441-R443 VanDerWaalsContact C-N 3.26Å; E441-R443 PolarHBondContact O-N 3.48Å; R443-E445 PolarHBondContact O-N 2.91Å; R443-D637 WeakPolarHBondContact CD-OD2 3.47Å; R443-D637 IonicContact CZ-OD1 2.88Å; R443-D637 IonicContact CZ-OD2 3.78Å; R443-D637 IonicContact NE-OD2 2.7Å; R443-D637 IonicContact NH1-OD1 2.91Å; R443-D637 PolarHBondContact NH1-OD1 2.79Å; R443-D637 IonicContact NH1-OD2 3.2Å; R443-D637 PolarHBondContact NH1-OD2 3.43Å; R443-D637 IonicContact NH2-OD1 3.06Å |
| 444 | I | 93.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 76.3 Ų | 76.3 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 118.3 | 177.9 | -60 | -178.3 | 0 | 0 | 0 | 108.5 | F436 F438 R446 I447 L634 F638 | F436-I444 HydrophobicContact CB-CD1 4.48Å; F436-I444 HydrophobicContact CB-CG1 4.33Å; F436-I444 HydrophobicContact CD1-CD1 3.89Å; F436-I444 HydrophobicContact CD2-CD1 4.05Å; F436-I444 HydrophobicContact CE1-CD1 4.1Å; F436-I444 HydrophobicContact CE2-CD1 4.24Å; F436-I444 HydrophobicContact CG-CD1 3.88Å; F436-I444 HydrophobicContact CG-CG1 4.25Å; F436-I444 HydrophobicContact CZ-CD1 4.27Å; F438-I444 HydrophobicContact CE1-CG1 4.21Å; I444-R446 WeakPolarHBondContact CG2-O 3.37Å; I444-I447 HydrophobicContact CD1-CD1 4.42Å; I444-I447 HydrophobicContact CD1-CG1 4.49Å; I444-I447 HydrophobicContact CG2-CD1 4.44Å; I444-I447 HydrophobicContact CG2-CG1 3.68Å; I444-L634 HydrophobicContact CD1-CB 3.8Å; I444-L634 HydrophobicContact CG1-CB 4.12Å; I444-L634 HydrophobicContact CG1-CD2 4.3Å; I444-F638 HydrophobicContact CB-CB 4.08Å; I444-F638 HydrophobicContact CB-CD2 3.77Å; I444-F638 HydrophobicContact CB-CG 4.13Å; I444-F638 HydrophobicContact CD1-CB 4.27Å; I444-F638 HydrophobicContact CG2-CB 4.37Å; I444-F638 HydrophobicContact CG2-CD2 3.45Å; I444-F638 VanDerWaalsContact CG2-CD2 3.45Å; I444-F638 HydrophobicContact CG2-CE2 3.84Å; I444-F638 HydrophobicContact CG2-CG 3.9Å; I444-F638 WeakPolarHBondContact O-CD2 3.37Å |
| 445 | E | 93.8 | Very high | 91.8 | Very high | 109 Ų | 109 | 73 Ų | 73 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -42.7 | 169.1 | -172.8 | -167.6 | 135.5 | 0 | 0 | 110.2 | I437 N439 R443 | I437-E445 PolarHBondContact O-N 3.35Å; N439-E445 HydrophobicContact CB-CB 4.33Å; R443-E445 PolarHBondContact O-N 2.91Å |
| 446 | R | 94.1 | Very high | 92.2 | Very high | 103 Ų | 103 | 71.1 Ų | 71.1 | 39% | 0.389 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 160.9 | 174.9 | 63 | -176.6 | -173.8 | -78.7 | -7.8 | 111.1 | I437 I444 E448 | I437-R446 HydrophobicContact CB-CG 3.84Å; I437-R446 HydrophobicContact CG1-CG 3.93Å; I437-R446 HydrophobicContact CG2-CG 4.47Å; I437-R446 PolarHBondContact N-O 3.4Å; I444-R446 WeakPolarHBondContact CG2-O 3.37Å; R446-E448 IonicContact CZ-OE1 3.64Å; R446-E448 VanDerWaalsContact CZ-OE1 3.26Å; R446-E448 IonicContact NE-OE1 2.72Å; R446-E448 PolarHBondContact NE-OE1 3.04Å; R446-E448 IonicContact NH2-OE1 3.16Å; R446-E448 PolarHBondContact NH2-OE1 3.41Å |
| 447 | I | 93.3 | Very high | 92.4 | Very high | 71 Ų | 71 | 72.3 Ų | 72.3 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.2 | 175.5 | -56.6 | -179.6 | 0 | 0 | 0 | 108 | A434 F436 I444 F638 | A434-I447 HydrophobicContact CB-CG2 3.6Å; F436-I447 HydrophobicContact CD1-CD1 4.4Å; F436-I447 HydrophobicContact CD1-CG1 4.06Å; F436-I447 HydrophobicContact CD1-CG2 4.25Å; F436-I447 HydrophobicContact CE1-CD1 4.15Å; F436-I447 HydrophobicContact CE1-CG1 4.3Å; F436-I447 HydrophobicContact CE1-CG2 4.32Å; I444-I447 HydrophobicContact CD1-CD1 4.42Å; I444-I447 HydrophobicContact CD1-CG1 4.49Å; I444-I447 HydrophobicContact CG2-CD1 4.44Å; I444-I447 HydrophobicContact CG2-CG1 3.68Å; I447-F638 HydrophobicContact CD1-CD1 3.93Å; I447-F638 HydrophobicContact CD1-CE1 4.01Å; I447-F638 HydrophobicContact CG1-CD1 4.46Å; I447-F638 HydrophobicContact CG1-CE1 4.27Å; I447-F638 HydrophobicContact CG1-CZ 4.49Å |
| 448 | E | 92.5 | Very high | 92.7 | Very high | 74 Ų | 74 | 70.9 Ų | 70.9 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 160 | 173.8 | -66.3 | 176.2 | -175.9 | 0 | 0 | 109.5 | K435 I437 R446 | K435-E448 WeakPolarHBondContact CA-O 3.49Å; K435-E448 HydrophobicContact CB-CB 4.3Å; K435-E448 WeakPolarHBondContact CB-O 3.37Å; K435-E448 PolarHBondContact N-O 3.48Å; K435-E448 PolarHBondContact O-N 2.87Å; I437-E448 HydrophobicContact CG1-CG 4.07Å; R446-E448 IonicContact CZ-OE1 3.64Å; R446-E448 VanDerWaalsContact CZ-OE1 3.26Å; R446-E448 IonicContact NE-OE1 2.72Å; R446-E448 PolarHBondContact NE-OE1 3.04Å; R446-E448 IonicContact NH2-OE1 3.16Å; R446-E448 PolarHBondContact NH2-OE1 3.41Å |
| 449 | Q | 90.6 | Very high | 93 | Very high | 89 Ų | 89 | 68.6 Ų | 68.6 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 133.8 | 170.8 | -174.2 | -177.1 | -3.4 | 0 | 0 | 109.8 | E432 Q451 | E432-Q449 HydrophobicContact CB-CG 4.2Å; E432-Q449 PolarHBondContact OE1-NE2 3.38Å; E432-Q449 PolarHBondContact OE2-NE2 2.71Å; Q449-Q451 PolarHBondContact O-N 2.9Å |
| 450 | T | 87.1 | Confident | 93.2 | Very high | 48 Ų | 48 | 68.8 Ų | 68.8 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | trans | -64.3 | 130.1 | 174.3 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | E433 K435 | E433-T450 HydrophobicContact CB-CG2 4.02Å; E433-T450 WeakPolarHBondContact CB-OG1 3.49Å; E433-T450 PolarHBondContact N-OG1 3Å; E433-T450 PolarHBondContact O-N 3.26Å; E433-T450 PolarHBondContact O-OG1 3.45Å; K435-T450 HydrophobicContact CB-CG2 3.87Å | ||
| 451 | Q | 87.6 | Confident | 93.5 | Very high | 146 Ų | 146 | 64.5 Ų | 64.5 | 68% | 0.682 | 29% | 0.29 | S | S | * | . | trans | -93.6 | 105.2 | 176.7 | -65.2 | -66.7 | -24.1 | 0 | 0 | 110.5 | Q449 H456 | Q449-Q451 PolarHBondContact O-N 2.9Å; Q451-H456 PolarHBondContact O-CE1 3.43Å; Q451-H456 VanDerWaalsContact O-CE1 3.29Å | ||
| 452 | R | 91.7 | Very high | 94 | Very high | 109 Ų | 109 | 58.3 Ų | 58.3 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | trans | -94.4 | 97.5 | 176.8 | -174.7 | 175 | 169.6 | -149.6 | -4.1 | 111.2 | H456 K457 E460 | R452-H456 HydrophobicContact CG-CB 4.09Å; R452-K457 HydrophobicContact CG-CG 4.41Å; R452-E460 IonicContact CZ-OE2 2.81Å; R452-E460 IonicContact NE-OE2 3.4Å; R452-E460 IonicContact NH2-OE1 2.64Å; R452-E460 PolarHBondContact NH2-OE1 3.07Å; R452-E460 IonicContact NH2-OE2 3.55Å; R452-E460 PolarHBondContact NH2-OE2 3.3Å | ||
| 453 | N | 94.5 | Very high | 94.5 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | trans | -96.7 | 179.3 | 179.3 | 64.4 | 36.1 | 0 | 0 | 0 | 113.2 | W387 A455 H456 K457 | W387-N453 HydrophobicContact CB-CB 4.41Å; W387-N453 WeakPolarHBondContact CB-ND2 3.39Å; W387-N453 HydrophobicContact CD2-CB 3.77Å; W387-N453 HydrophobicContact CE3-CB 4.28Å; W387-N453 HydrophobicContact CG-CB 3.81Å; N453-A455 PolarHBondContact O-N 2.99Å; N453-A455 VanDerWaalsContact OD1-CB 3.28Å; N453-A455 WeakPolarHBondContact OD1-CB 3.49Å; N453-A455 PolarHBondContact OD1-N 2.86Å; N453-H456 PolarHBondContact N-ND1 3.23Å; N453-H456 WeakPolarHBondContact O-CB 3.33Å; N453-H456 PolarHBondContact O-N 3.23Å; N453-H456 PolarHBondContact OD1-N 3.29Å; N453-H456 PolarHBondContact OD1-ND1 3.27Å; N453-K457 PolarHBondContact O-N 3.46Å | ||
| 454 | D | 97.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 49.2 Ų | 49.2 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -22.4 | -179.2 | -74.8 | -7.6 | 0 | 0 | 0 | 114 | W387 H411 Y414 H456 K457 L458 | W387-D454 HydrophobicContact CE3-CB 3.98Å; W387-D454 HydrophobicContact CZ3-CB 3.64Å; H411-D454 IonicContact CD2-OD2 3.31Å; H411-D454 IonicContact CE1-OD2 3.25Å; H411-D454 IonicContact NE2-OD2 2.64Å; H411-D454 PolarHBondContact NE2-OD2 3.03Å; Y414-D454 HydrophobicContact CD1-CB 4.42Å; Y414-D454 HydrophobicContact CE1-CB 3.79Å; Y414-D454 VanDerWaalsContact CE1-CG 3.4Å; Y414-D454 WeakPolarHBondContact CE1-OD1 3.31Å; Y414-D454 PolarHBondContact OH-OD1 3.43Å; D454-H456 VanDerWaalsContact C-N 3.31Å; D454-K457 PolarHBondContact O-N 2.76Å; D454-L458 WeakPolarHBondContact O-CB 3.29Å; D454-L458 WeakPolarHBondContact O-CG 3.35Å; D454-L458 PolarHBondContact O-N 3.44Å |
| 455 | A | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.1 | -33 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y383 V386 W387 N453 L458 | Y383-A455 HydrophobicContact CD1-CB 4.22Å; Y383-A455 WeakPolarHBondContact CD1-O 3.25Å; Y383-A455 WeakPolarHBondContact O-CB 3.42Å; V386-A455 HydrophobicContact CB-CB 3.89Å; V386-A455 HydrophobicContact CG1-CB 3.85Å; W387-A455 HydrophobicContact CB-CB 4.23Å; N453-A455 PolarHBondContact O-N 2.99Å; N453-A455 VanDerWaalsContact OD1-CB 3.28Å; N453-A455 WeakPolarHBondContact OD1-CB 3.49Å; N453-A455 PolarHBondContact OD1-N 2.86Å; A455-L458 WeakPolarHBondContact O-CG 3.44Å |
| 456 | H | 96.5 | Very high | 95.3 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 25% | 0.25 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71 | -46.6 | 172.8 | -58.6 | 85 | 0 | 0 | 0 | 110.3 | Y383 Q451 R452 N453 D454 L458 I459 E460 | Y383-H456 VanDerWaalsContact CB-CE1 3.45Å; Y383-H456 WeakPolarHBondContact CB-CE1 3.23Å; Y383-H456 WeakPolarHBondContact CB-NE2 3.31Å; Y383-H456 HydrophobicContact CD1-CB 4.34Å; Y383-H456 AromaticContact CD1-CD2 3.78Å; Y383-H456 AromaticContact CD1-CG 3.88Å; Y383-H456 AromaticContact CD2-CD2 3.51Å; Y383-H456 AromaticContact CD2-NE2 3.49Å; Y383-H456 WeakPolarHBondContact CD2-NE2 3.26Å; Y383-H456 HydrophobicContact CE1-CB 4.45Å; Y383-H456 AromaticContact CE2-CD2 3.89Å; Y383-H456 AromaticContact CG-CD2 3.46Å; Y383-H456 VanDerWaalsContact CG-CD2 3.46Å; Y383-H456 AromaticContact CG-CE1 3.89Å; Y383-H456 AromaticContact CG-CG 3.92Å; Y383-H456 AromaticContact CG-NE2 3.45Å; Q451-H456 PolarHBondContact O-CE1 3.43Å; Q451-H456 VanDerWaalsContact O-CE1 3.29Å; R452-H456 HydrophobicContact CG-CB 4.09Å; N453-H456 PolarHBondContact N-ND1 3.23Å; N453-H456 WeakPolarHBondContact O-CB 3.33Å; N453-H456 PolarHBondContact O-N 3.23Å; N453-H456 PolarHBondContact OD1-N 3.29Å; N453-H456 PolarHBondContact OD1-ND1 3.27Å; D454-H456 VanDerWaalsContact C-N 3.31Å; H456-L458 PolarHBondContact O-N 2.9Å; H456-I459 PolarHBondContact O-N 3.48Å; H456-E460 PolarHBondContact O-N 2.99Å |
| 457 | K | 95.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 39.2 Ų | 39.2 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.8 | -34.5 | -175.7 | -59.1 | 174.4 | 179.8 | -178.8 | 0 | 112.5 | Y414 R452 N453 D454 E460 E461 | Y414-K457 HydrophobicContact CD2-CB 4.14Å; Y414-K457 HydrophobicContact CE2-CB 3.36Å; Y414-K457 HydrophobicContact CE2-CD 4.35Å; Y414-K457 HydrophobicContact CE2-CG 4.49Å; Y414-K457 WeakPolarHBondContact OH-CD 3.48Å; R452-K457 HydrophobicContact CG-CG 4.41Å; N453-K457 PolarHBondContact O-N 3.46Å; D454-K457 PolarHBondContact O-N 2.76Å; K457-E460 PolarHBondContact O-N 3.19Å; K457-E461 WeakPolarHBondContact O-CG 3.37Å; K457-E461 PolarHBondContact O-N 3.32Å |
| 458 | L | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 175.8 | 74.4 | 85.3 | 0 | 0 | 0 | 112.1 | I271 V386 L390 L410 Y414 D454 A455 H456 C462 | I271-L458 HydrophobicContact CD1-CD1 4.23Å; V386-L458 HydrophobicContact CG1-CD2 4.34Å; L390-L458 HydrophobicContact CD1-CD2 4.3Å; L410-L458 HydrophobicContact CB-CD1 4.43Å; Y414-L458 HydrophobicContact CD1-CB 4.5Å; Y414-L458 HydrophobicContact CD2-CB 4.3Å; Y414-L458 HydrophobicContact CG-CB 3.86Å; D454-L458 WeakPolarHBondContact O-CB 3.29Å; D454-L458 WeakPolarHBondContact O-CG 3.35Å; D454-L458 PolarHBondContact O-N 3.44Å; A455-L458 WeakPolarHBondContact O-CG 3.44Å; H456-L458 PolarHBondContact O-N 2.9Å; L458-C462 WeakPolarHBondContact O-CB 3.38Å; L458-C462 PolarHBondContact O-N 3.39Å; L458-C462 VanDerWaalsContact O-N 3.07Å; L458-C462 PolarHBondContact O-SG 2.94Å |
| 459 | I | 98.3 | Very high | 96 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -47.4 | 176.9 | -73.8 | -63.3 | 0 | 0 | 0 | 109.2 | I271 V283 Y383 H456 E461 C462 M463 | I271-I459 HydrophobicContact CB-CD1 4.02Å; I271-I459 HydrophobicContact CB-CG1 4Å; I271-I459 HydrophobicContact CD1-CD1 4.05Å; I271-I459 HydrophobicContact CD1-CG1 4.41Å; I271-I459 HydrophobicContact CG1-CD1 4.36Å; I271-I459 HydrophobicContact CG2-CG1 4.35Å; V283-I459 HydrophobicContact CB-CD1 4.47Å; V283-I459 HydrophobicContact CG1-CD1 3.95Å; V283-I459 HydrophobicContact CG2-CD1 3.66Å; Y383-I459 HydrophobicContact CE1-CB 4.19Å; Y383-I459 HydrophobicContact CE1-CG1 3.98Å; H456-I459 PolarHBondContact O-N 3.48Å; I459-E461 PolarHBondContact O-N 2.94Å; I459-C462 PolarHBondContact O-N 3.22Å; I459-M463 HydrophobicContact CG2-CG 4.2Å; I459-M463 VanDerWaalsContact O-CG 3.3Å; I459-M463 WeakPolarHBondContact O-CG 3.23Å; I459-M463 PolarHBondContact O-N 3.15Å |
| 460 | E | 96.5 | Very high | 96.4 | Very high | 56 Ų | 56 | 28.5 Ų | 28.5 | 26% | 0.262 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -52.2 | -51.9 | 176.4 | -179.7 | -175.7 | 159.7 | 0 | 0 | 112.2 | R421 R452 H456 K457 C462 M463 I464 | R421-E460 IonicContact CZ-OE1 2.8Å; R421-E460 IonicContact NH1-OE1 3.58Å; R421-E460 PolarHBondContact NH1-OE1 3.31Å; R421-E460 IonicContact NH2-OE1 3.44Å; R452-E460 IonicContact CZ-OE2 2.81Å; R452-E460 IonicContact NE-OE2 3.4Å; R452-E460 IonicContact NH2-OE1 2.64Å; R452-E460 PolarHBondContact NH2-OE1 3.07Å; R452-E460 IonicContact NH2-OE2 3.55Å; R452-E460 PolarHBondContact NH2-OE2 3.3Å; H456-E460 PolarHBondContact O-N 2.99Å; K457-E460 PolarHBondContact O-N 3.19Å; E460-C462 PolarHBondContact O-N 3.32Å; E460-M463 PolarHBondContact O-N 3Å; E460-I464 HydrophobicContact CG-CD1 3.85Å; E460-I464 HydrophobicContact CG-CG1 4.49Å; E460-I464 WeakPolarHBondContact O-CB 3.14Å; E460-I464 VanDerWaalsContact O-CG1 3.29Å; E460-I464 WeakPolarHBondContact O-CG1 3.41Å; E460-I464 PolarHBondContact O-N 3.37Å |
| 461 | E | 97.5 | Very high | 97 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | -178.7 | -69.6 | -59.7 | 143.4 | 0 | 0 | 112.6 | Y414 L417 R421 K457 I459 I464 L465 | Y414-E461 HydrophobicContact CD2-CG 4.18Å; L417-E461 HydrophobicContact CB-CB 4.02Å; L417-E461 HydrophobicContact CB-CG 4.29Å; L417-E461 HydrophobicContact CD1-CB 3.87Å; R421-E461 WeakPolarHBondContact CD-OE1 3.47Å; R421-E461 IonicContact CZ-OE1 3.57Å; R421-E461 IonicContact NE-OE1 3.38Å; R421-E461 IonicContact NH1-OE1 2.76Å; R421-E461 PolarHBondContact NH1-OE1 2.88Å; K457-E461 WeakPolarHBondContact O-CG 3.37Å; K457-E461 PolarHBondContact O-N 3.32Å; I459-E461 PolarHBondContact O-N 2.94Å; E461-I464 PolarHBondContact O-N 3.15Å; E461-L465 WeakPolarHBondContact O-CG 3.46Å; E461-L465 PolarHBondContact O-N 3.03Å; E461-L465 VanDerWaalsContact O-N 3.1Å |
| 462 | C | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 172.5 | -70.7 | 0 | 0 | 0 | 0 | 111.5 | V283 L295 V297 L458 I459 E460 L465 A466 | V283-C462 HydrophobicContact CG1-CB 4.17Å; L295-C462 HydrophobicContact CD2-CB 4.16Å; V297-C462 HydrophobicContact CG2-CB 4.39Å; L458-C462 WeakPolarHBondContact O-CB 3.38Å; L458-C462 PolarHBondContact O-N 3.39Å; L458-C462 VanDerWaalsContact O-N 3.07Å; L458-C462 PolarHBondContact O-SG 2.94Å; I459-C462 PolarHBondContact O-N 3.22Å; E460-C462 PolarHBondContact O-N 3.32Å; C462-L465 PolarHBondContact O-N 3.39Å; C462-A466 PolarHBondContact O-N 2.85Å |
| 463 | M | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 6% | 0.064 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.8 | -40.1 | 178.1 | -65.2 | -46.9 | 114.8 | 0 | 0 | 111.9 | D281 V283 V297 I299 I459 E460 L465 A466 N467 T567 | D281-M463 HydrophobicContact CB-CE 3.96Å; D281-M463 HydrophobicContact CB-SD 3.71Å; D281-M463 WeakPolarHBondContact OD2-CE 3.17Å; V283-M463 HydrophobicContact CG1-CE 3.38Å; V297-M463 HydrophobicContact CG1-CE 3.67Å; V297-M463 HydrophobicContact CG1-SD 3.79Å; V297-M463 HydrophobicContact CG2-CE 4.16Å; I299-M463 HydrophobicContact CD1-SD 4.25Å; I459-M463 HydrophobicContact CG2-CG 4.2Å; I459-M463 VanDerWaalsContact O-CG 3.3Å; I459-M463 WeakPolarHBondContact O-CG 3.23Å; I459-M463 PolarHBondContact O-N 3.15Å; E460-M463 PolarHBondContact O-N 3Å; M463-L465 VanDerWaalsContact C-N 3.29Å; M463-L465 PolarHBondContact O-N 2.92Å; M463-A466 PolarHBondContact O-N 3.12Å; M463-N467 WeakPolarHBondContact O-CB 3.39Å; M463-N467 PolarHBondContact O-N 3.08Å; M463-N467 PolarHBondContact O-ND2 3.43Å; M463-T567 HydrophobicContact CB-CG2 3.98Å; M463-T567 HydrophobicContact CG-CG2 4.22Å; M463-T567 VanDerWaalsContact SD-CB 3.52Å; M463-T567 HydrophobicContact SD-CG2 3.48Å; M463-T567 WeakPolarHBondContact SD-CG2 3.47Å |
| 464 | I | 97.7 | Very high | 98 | Very high | 7 Ų | 7 | 19 Ų | 19 | 4% | 0.036 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.2 | -43.6 | 174.8 | -74.8 | 169.9 | 0 | 0 | 0 | 110.6 | E460 E461 N467 I468 L558 L560 Y563 | E460-I464 HydrophobicContact CG-CD1 3.85Å; E460-I464 HydrophobicContact CG-CG1 4.49Å; E460-I464 WeakPolarHBondContact O-CB 3.14Å; E460-I464 VanDerWaalsContact O-CG1 3.29Å; E460-I464 WeakPolarHBondContact O-CG1 3.41Å; E460-I464 PolarHBondContact O-N 3.37Å; E461-I464 PolarHBondContact O-N 3.15Å; I464-N467 PolarHBondContact O-N 3.5Å; I464-I468 HydrophobicContact CG2-CD1 3.72Å; I464-I468 HydrophobicContact CG2-CG1 4.36Å; I464-I468 WeakPolarHBondContact O-CD1 3.43Å; I464-I468 VanDerWaalsContact O-CG1 3.23Å; I464-I468 WeakPolarHBondContact O-CG1 3.24Å; I464-I468 PolarHBondContact O-N 3.26Å; I464-L558 HydrophobicContact CD1-CD2 4.24Å; I464-L560 HydrophobicContact CG2-CD1 4.24Å; I464-Y563 HydrophobicContact CG1-CE2 4.41Å; I464-Y563 HydrophobicContact CG2-CE2 4.28Å |
| 465 | L | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 6% | 0.058 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.8 | -72.8 | -174.1 | 0 | 0 | 0 | 113 | L295 M357 V359 L365 L417 E461 C462 M463 I468 S469 | L295-L465 HydrophobicContact CD2-CD1 3.96Å; M357-L465 HydrophobicContact CE-CB 4.17Å; M357-L465 HydrophobicContact SD-CB 3.64Å; V359-L465 HydrophobicContact CG2-CD1 3.78Å; L365-L465 HydrophobicContact CB-CD2 4.25Å; L417-L465 HydrophobicContact CD1-CD1 3.64Å; L417-L465 HydrophobicContact CD1-CG 4.22Å; L417-L465 HydrophobicContact CD2-CD1 3.73Å; L417-L465 HydrophobicContact CD2-CD2 4.38Å; L417-L465 HydrophobicContact CD2-CG 4.33Å; L417-L465 HydrophobicContact CG-CD1 4.35Å; E461-L465 WeakPolarHBondContact O-CG 3.46Å; E461-L465 PolarHBondContact O-N 3.03Å; E461-L465 VanDerWaalsContact O-N 3.1Å; C462-L465 PolarHBondContact O-N 3.39Å; M463-L465 VanDerWaalsContact C-N 3.29Å; M463-L465 PolarHBondContact O-N 2.92Å; L465-I468 HydrophobicContact CD2-CD1 4.47Å; L465-I468 PolarHBondContact O-N 2.88Å; L465-S469 WeakPolarHBondContact O-CB 3.47Å; L465-S469 PolarHBondContact O-N 2.67Å; L465-S469 PolarHBondContact O-OG 3.25Å |
| 466 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V297 C355 M357 C462 M463 S469 A470 F566 T567 | V297-A466 HydrophobicContact CB-CB 4.04Å; V297-A466 HydrophobicContact CG1-CB 3.88Å; V297-A466 HydrophobicContact CG2-CB 4.21Å; C355-A466 HydrophobicContact CB-CB 4.23Å; M357-A466 HydrophobicContact CE-CB 3.98Å; C462-A466 PolarHBondContact O-N 2.85Å; M463-A466 PolarHBondContact O-N 3.12Å; A466-S469 WeakPolarHBondContact O-CB 3.18Å; A466-S469 PolarHBondContact O-N 3.1Å; A466-A470 WeakPolarHBondContact O-CB 3.36Å; A466-A470 PolarHBondContact O-N 3.24Å; A466-F566 HydrophobicContact CB-CD1 4.19Å; A466-T567 HydrophobicContact CB-CG2 3.84Å |
| 467 | N | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.5 | -74.5 | -20.4 | 0 | 0 | 0 | 112.6 | M463 I464 S469 A470 A471 Y563 A564 F566 T567 | M463-N467 WeakPolarHBondContact O-CB 3.39Å; M463-N467 PolarHBondContact O-N 3.08Å; M463-N467 PolarHBondContact O-ND2 3.43Å; I464-N467 PolarHBondContact O-N 3.5Å; N467-S469 VanDerWaalsContact C-N 3.34Å; N467-A470 PolarHBondContact O-N 3.34Å; N467-A471 WeakPolarHBondContact O-CB 3.43Å; N467-A471 PolarHBondContact O-N 2.85Å; N467-Y563 HydrophobicContact CB-CD2 3.93Å; N467-Y563 HydrophobicContact CB-CE2 3.32Å; N467-Y563 PolarHBondContact ND2-OH 2.92Å; N467-A564 WeakPolarHBondContact CA-O 3.37Å; N467-A564 WeakPolarHBondContact CB-O 3.48Å; N467-A564 VanDerWaalsContact CG-O 3.26Å; N467-A564 PolarHBondContact OD1-O 2.91Å; N467-F566 WeakPolarHBondContact OD1-CB 3.38Å; N467-F566 PolarHBondContact OD1-N 3.42Å; N467-T567 WeakPolarHBondContact OD1-CG2 3.21Å; N467-T567 PolarHBondContact OD1-N 3.4Å |
| 468 | I | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 173.3 | -68.9 | 162.4 | 0 | 0 | 0 | 110.5 | L365 I464 L465 A470 A471 R472 L560 Y563 | L365-I468 HydrophobicContact CD2-CG2 3.96Å; I464-I468 HydrophobicContact CG2-CD1 3.72Å; I464-I468 HydrophobicContact CG2-CG1 4.36Å; I464-I468 WeakPolarHBondContact O-CD1 3.43Å; I464-I468 VanDerWaalsContact O-CG1 3.23Å; I464-I468 WeakPolarHBondContact O-CG1 3.24Å; I464-I468 PolarHBondContact O-N 3.26Å; L465-I468 HydrophobicContact CD2-CD1 4.47Å; L465-I468 PolarHBondContact O-N 2.88Å; I468-A470 VanDerWaalsContact C-N 3.34Å; I468-A470 PolarHBondContact O-N 3Å; I468-A471 PolarHBondContact O-N 3.17Å; I468-R472 HydrophobicContact CG2-CG 4.41Å; I468-R472 WeakPolarHBondContact O-CB 3.37Å; I468-R472 VanDerWaalsContact O-CG 3.29Å; I468-R472 WeakPolarHBondContact O-CG 3.31Å; I468-R472 PolarHBondContact O-N 3.27Å; I468-L560 HydrophobicContact CD1-CD1 3.78Å; I468-L560 HydrophobicContact CD1-CD2 3.55Å; I468-L560 HydrophobicContact CD1-CG 4.33Å; I468-L560 HydrophobicContact CG1-CD1 3.76Å; I468-L560 HydrophobicContact CG1-CD2 4.05Å; I468-L560 HydrophobicContact CG1-CG 4.5Å; I468-Y563 HydrophobicContact CG1-CD2 4.1Å |
| 469 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 179.9 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | M357 L365 L465 A466 N467 R472 F473 | M357-S469 PolarHBondContact SD-OG 3.42Å; M357-S469 VanDerWaalsContact SD-OG 3.36Å; L365-S469 VanDerWaalsContact CD2-OG 3.31Å; L365-S469 WeakPolarHBondContact CD2-OG 3.4Å; L465-S469 WeakPolarHBondContact O-CB 3.47Å; L465-S469 PolarHBondContact O-N 2.67Å; L465-S469 PolarHBondContact O-OG 3.25Å; A466-S469 WeakPolarHBondContact O-CB 3.18Å; A466-S469 PolarHBondContact O-N 3.1Å; N467-S469 VanDerWaalsContact C-N 3.34Å; S469-R472 PolarHBondContact O-N 3.22Å; S469-F473 WeakPolarHBondContact O-CB 3.33Å; S469-F473 PolarHBondContact O-N 3.43Å |
| 470 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66 | -46.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F370 A466 N467 I468 R472 F473 V474 F566 L578 I582 | F370-A470 HydrophobicContact CE1-CB 4.28Å; F370-A470 VanDerWaalsContact CZ-CA 3.49Å; F370-A470 HydrophobicContact CZ-CB 3.82Å; A466-A470 WeakPolarHBondContact O-CB 3.36Å; A466-A470 PolarHBondContact O-N 3.24Å; N467-A470 PolarHBondContact O-N 3.34Å; I468-A470 VanDerWaalsContact C-N 3.34Å; I468-A470 PolarHBondContact O-N 3Å; A470-R472 PolarHBondContact O-N 3.21Å; A470-F473 WeakPolarHBondContact O-CB 3.02Å; A470-F473 PolarHBondContact O-N 2.97Å; A470-V474 WeakPolarHBondContact O-CG2 3.47Å; A470-V474 PolarHBondContact O-N 3.25Å; A470-V474 VanDerWaalsContact O-N 3.15Å; A470-F566 HydrophobicContact CB-CB 3.75Å; A470-F566 HydrophobicContact CB-CD2 4.18Å; A470-F566 HydrophobicContact CB-CG 3.92Å; A470-L578 HydrophobicContact CB-CD2 3.87Å; A470-L578 HydrophobicContact CB-CG 4.45Å; A470-I582 HydrophobicContact CB-CD1 4.03Å |
| 471 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N467 I468 F473 V474 E475 F483 A564 | N467-A471 WeakPolarHBondContact O-CB 3.43Å; N467-A471 PolarHBondContact O-N 2.85Å; I468-A471 PolarHBondContact O-N 3.17Å; A471-F473 VanDerWaalsContact C-N 3.29Å; A471-F473 PolarHBondContact O-N 2.91Å; A471-V474 WeakPolarHBondContact O-CG2 3.44Å; A471-E475 WeakPolarHBondContact O-CB 3.33Å; A471-E475 PolarHBondContact O-N 3.37Å; A471-F483 HydrophobicContact CB-CD1 4.23Å; A471-F483 HydrophobicContact CB-CE1 4.18Å; A471-A564 HydrophobicContact CB-CB 3.75Å |
| 472 | R | 98.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 33.1 Ų | 33.1 | 39% | 0.392 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.7 | -34.4 | 178 | -73 | 177.5 | 176.2 | -176.6 | 0.2 | 112.6 | Y368 I468 S469 A470 K476 | Y368-R472 HydrophobicContact CE1-CB 4Å; Y368-R472 WeakPolarHBondContact OH-CB 3.47Å; I468-R472 HydrophobicContact CG2-CG 4.41Å; I468-R472 WeakPolarHBondContact O-CB 3.37Å; I468-R472 VanDerWaalsContact O-CG 3.29Å; I468-R472 WeakPolarHBondContact O-CG 3.31Å; I468-R472 PolarHBondContact O-N 3.27Å; S469-R472 PolarHBondContact O-N 3.22Å; A470-R472 PolarHBondContact O-N 3.21Å; R472-K476 WeakPolarHBondContact O-CB 3.5Å; R472-K476 PolarHBondContact O-N 3.49Å |
| 473 | F | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 10% | 0.096 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -51.9 | -179.4 | -175.1 | -110.3 | 0 | 0 | 0 | 111.5 | Y368 F370 S469 A470 A471 A477 I582 L585 L586 | Y368-F473 HydrophobicContact CE2-CB 3.91Å; Y368-F473 HydrophobicContact CE2-CD2 4.03Å; Y368-F473 HydrophobicContact CE2-CG 4.42Å; Y368-F473 PolarHBondContact OH-N 3.43Å; F370-F473 HydrophobicContact CD2-CB 4.27Å; F370-F473 HydrophobicContact CD2-CD1 4.25Å; F370-F473 HydrophobicContact CD2-CD2 4.31Å; F370-F473 HydrophobicContact CD2-CG 4.03Å; F370-F473 HydrophobicContact CE2-CB 3.9Å; F370-F473 HydrophobicContact CE2-CG 4.18Å; S469-F473 WeakPolarHBondContact O-CB 3.33Å; S469-F473 PolarHBondContact O-N 3.43Å; A470-F473 WeakPolarHBondContact O-CB 3.02Å; A470-F473 PolarHBondContact O-N 2.97Å; A471-F473 VanDerWaalsContact C-N 3.29Å; A471-F473 PolarHBondContact O-N 2.91Å; F473-A477 PolarHBondContact O-N 2.84Å; F473-I582 HydrophobicContact CD1-CG1 3.98Å; F473-I582 HydrophobicContact CD1-CG2 4.41Å; F473-I582 HydrophobicContact CE1-CB 4.41Å; F473-I582 HydrophobicContact CE1-CG1 4.35Å; F473-I582 HydrophobicContact CE1-CG2 4.1Å; F473-L585 HydrophobicContact CD1-CD1 3.88Å; F473-L585 HydrophobicContact CE1-CB 3.63Å; F473-L585 HydrophobicContact CE1-CD1 3.68Å; F473-L585 HydrophobicContact CE1-CG 4.32Å; F473-L585 HydrophobicContact CZ-CB 3.94Å; F473-L585 HydrophobicContact CZ-CD1 4.43Å; F473-L586 HydrophobicContact CZ-CD2 4.05Å; F473-L586 HydrophobicContact CZ-CG 4.39Å |
| 474 | V | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.5 | -36.5 | 178.5 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | A470 A471 A477 K478 E479 A481 F483 L578 A581 I582 L585 | A470-V474 WeakPolarHBondContact O-CG2 3.47Å; A470-V474 PolarHBondContact O-N 3.25Å; A470-V474 VanDerWaalsContact O-N 3.15Å; A471-V474 WeakPolarHBondContact O-CG2 3.44Å; V474-A477 CarbonylContact O-C 3.58Å; V474-A477 PolarHBondContact O-N 3.3Å; V474-K478 PolarHBondContact O-N 3.13Å; V474-E479 HydrophobicContact CB-CB 4.23Å; V474-E479 PolarHBondContact O-N 3.41Å; V474-A481 HydrophobicContact CB-CB 4.01Å; V474-A481 HydrophobicContact CG1-CB 4.28Å; V474-A481 HydrophobicContact CG2-CB 3.76Å; V474-F483 HydrophobicContact CG2-CE1 4.31Å; V474-F483 HydrophobicContact CG2-CZ 4.15Å; V474-L578 HydrophobicContact CB-CD1 4.47Å; V474-L578 HydrophobicContact CG1-CD1 3.61Å; V474-L578 HydrophobicContact CG2-CD1 4.08Å; V474-A581 HydrophobicContact CG1-CB 4.33Å; V474-I582 HydrophobicContact CG1-CG1 4.37Å; V474-L585 HydrophobicContact CG1-CD1 4.12Å |
| 475 | E | 98.5 | Very high | 98.5 | Very high | 70 Ų | 70 | 33.7 Ų | 33.7 | 33% | 0.327 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 176.1 | -175 | 174.1 | -136.9 | 0 | 0 | 111.9 | A471 A477 K478 F483 N552 S562 | A471-E475 WeakPolarHBondContact O-CB 3.33Å; A471-E475 PolarHBondContact O-N 3.37Å; E475-A477 VanDerWaalsContact C-N 3.26Å; E475-A477 PolarHBondContact O-N 3.02Å; E475-K478 PolarHBondContact O-N 3.48Å; E475-F483 HydrophobicContact CB-CE1 4.03Å; E475-F483 HydrophobicContact CB-CZ 3.85Å; E475-F483 HydrophobicContact CG-CZ 4.34Å; E475-N552 PolarHBondContact OE1-ND2 2.79Å; E475-S562 VanDerWaalsContact OE2-CB 3.31Å; E475-S562 WeakPolarHBondContact OE2-CB 3.49Å; E475-S562 PolarHBondContact OE2-OG 3.13Å |
| 476 | K | 98.1 | Very high | 98.4 | Very high | 177 Ų | 177 | 34.1 Ų | 34.1 | 77% | 0.77 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -60.3 | -37.5 | 176.4 | -178.5 | -176 | 175 | -167.3 | 0 | 111.8 | R472 K478 | R472-K476 WeakPolarHBondContact O-CB 3.5Å; R472-K476 PolarHBondContact O-N 3.49Å; K476-K478 VanDerWaalsContact C-N 3.27Å |
| 477 | A | 97.9 | Very high | 98.2 | Very high | 51 Ų | 51 | 36.5 Ų | 36.5 | 42% | 0.421 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -78.5 | -8.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | F473 V474 E475 E479 L585 | F473-A477 PolarHBondContact O-N 2.84Å; V474-A477 CarbonylContact O-C 3.58Å; V474-A477 PolarHBondContact O-N 3.3Å; E475-A477 VanDerWaalsContact C-N 3.26Å; E475-A477 PolarHBondContact O-N 3.02Å; A477-E479 HydrophobicContact CB-CB 4.21Å; A477-E479 PolarHBondContact O-N 3.04Å; A477-L585 HydrophobicContact CB-CD1 3.63Å; A477-L585 HydrophobicContact CB-CD2 3.7Å; A477-L585 HydrophobicContact CB-CG 4.31Å |
| 478 | K | 97.9 | Very high | 98 | Very high | 190 Ų | 190 | 41.1 Ų | 41.1 | 83% | 0.826 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.6 | -168.1 | -58.4 | -177 | 177.2 | -176.3 | 0 | 112.4 | V474 E475 K476 | V474-K478 PolarHBondContact O-N 3.13Å; E475-K478 PolarHBondContact O-N 3.48Å; K476-K478 VanDerWaalsContact C-N 3.27Å |
| 479 | E | 98.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | trans | -81 | 130.8 | -179.7 | -176.8 | 59.5 | -162.4 | 0 | 0 | 109.9 | V474 A477 A481 A581 Y584 L585 H603 | V474-E479 HydrophobicContact CB-CB 4.23Å; V474-E479 PolarHBondContact O-N 3.41Å; A477-E479 HydrophobicContact CB-CB 4.21Å; A477-E479 PolarHBondContact O-N 3.04Å; E479-A481 PolarHBondContact O-N 3.41Å; E479-A481 VanDerWaalsContact O-N 3.09Å; E479-A581 HydrophobicContact CG-CB 4.08Å; E479-Y584 WeakPolarHBondContact OE1-CD1 3.29Å; E479-Y584 WeakPolarHBondContact OE1-CE1 3.49Å; E479-Y584 WeakPolarHBondContact OE2-CE1 3.44Å; E479-L585 HydrophobicContact CB-CD1 3.87Å; E479-L585 HydrophobicContact CB-CD2 4.12Å; E479-L585 HydrophobicContact CB-CG 4.31Å; E479-L585 HydrophobicContact CG-CD1 4.06Å; E479-L585 HydrophobicContact CG-CD2 4.17Å; E479-L585 HydrophobicContact CG-CG 4.13Å; E479-H603 IonicContact OE1-CE1 3.25Å; E479-H603 IonicContact OE1-CG 3.28Å; E479-H603 IonicContact OE1-ND1 2.68Å; E479-H603 PolarHBondContact OE1-ND1 3.39Å; E479-H603 IonicContact OE2-CE1 3.78Å; E479-H603 IonicContact OE2-ND1 3.41Å; E479-H603 PolarHBondContact OE2-ND1 3.03Å | ||
| 480 | P | 98.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 10% | 0.104 | 20% | 0.199 | C | C | . | . | trans | -59.6 | 114.6 | 174.7 | -24.9 | 36.4 | 0 | 0 | 0 | 111.2 | Y604 M606 M609 | P480-Y604 WeakPolarHBondContact CB-O 3.4Å; P480-Y604 VanDerWaalsContact CG-O 3.32Å; P480-Y604 WeakPolarHBondContact CG-O 3.46Å; P480-M606 HydrophobicContact CB-CE 4.21Å; P480-M606 HydrophobicContact CG-CE 4.33Å; P480-M609 HydrophobicContact CB-CB 4.5Å; P480-M609 HydrophobicContact CB-CG 3.81Å | ||
| 481 | A | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | trans | -150.9 | 157.9 | -179 | 0 | 0 | 0 | 0 | 0 | 110 | V474 E479 P550 L578 | V474-A481 HydrophobicContact CB-CB 4.01Å; V474-A481 HydrophobicContact CG1-CB 4.28Å; V474-A481 HydrophobicContact CG2-CB 3.76Å; E479-A481 PolarHBondContact O-N 3.41Å; E479-A481 VanDerWaalsContact O-N 3.09Å; A481-P550 WeakPolarHBondContact O-CA 3.43Å; A481-L578 HydrophobicContact CB-CD1 4.15Å | ||
| 482 | L | 98.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | -83.3 | 115.6 | 175.4 | -63.6 | 179.7 | 0 | 0 | 0 | 110.9 | Y548 P574 M609 L612 | L482-Y548 HydrophobicContact CB-CD1 4.47Å; L482-P574 HydrophobicContact CD1-CB 4.01Å; L482-P574 HydrophobicContact CD1-CG 4.1Å; L482-M609 WeakPolarHBondContact CD2-O 3.29Å; L482-M609 HydrophobicContact CD2-SD 4.02Å; L482-M609 HydrophobicContact CG-SD 3.81Å; L482-L612 HydrophobicContact CD1-CB 4.18Å | ||
| 483 | F | 98.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 148.7 | 165.8 | -64.1 | -87.5 | 0 | 0 | 0 | 109.8 | A471 V474 E475 I485 Y548 D549 P550 N552 | A471-F483 HydrophobicContact CB-CD1 4.23Å; A471-F483 HydrophobicContact CB-CE1 4.18Å; V474-F483 HydrophobicContact CG2-CE1 4.31Å; V474-F483 HydrophobicContact CG2-CZ 4.15Å; E475-F483 HydrophobicContact CB-CE1 4.03Å; E475-F483 HydrophobicContact CB-CZ 3.85Å; E475-F483 HydrophobicContact CG-CZ 4.34Å; F483-I485 HydrophobicContact CB-CG2 3.87Å; F483-Y548 WeakPolarHBondContact O-CA 3.45Å; F483-D549 WeakPolarHBondContact CB-O 3.38Å; F483-D549 PolarHBondContact N-O 3.31Å; F483-D549 PolarHBondContact O-N 2.85Å; F483-P550 WeakPolarHBondContact CD2-O 3.23Å; F483-P550 WeakPolarHBondContact CE2-O 3.49Å; F483-N552 HydrophobicContact CB-CB 4.36Å; F483-N552 HydrophobicContact CD1-CB 3.78Å; F483-N552 HydrophobicContact CD2-CB 3.79Å; F483-N552 HydrophobicContact CE1-CB 3.97Å; F483-N552 HydrophobicContact CE2-CB 3.98Å; F483-N552 HydrophobicContact CG-CB 3.69Å; F483-N552 HydrophobicContact CZ-CB 4.06Å |
| 484 | R | 98.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 97.7 | 169.3 | -179.2 | 60.6 | 173.1 | -169.7 | -3 | 107.3 | H555 Y563 E620 | R484-H555 PolarHBondContact O-CD2 2.72Å; R484-Y563 HydrophobicContact CB-CD1 3.85Å; R484-Y563 HydrophobicContact CB-CE1 4.33Å; R484-Y563 HydrophobicContact CG-CD1 3.99Å; R484-Y563 HydrophobicContact CG-CE1 4.18Å; R484-Y563 PolarHBondContact N-O 3.16Å; R484-E620 IonicContact CZ-OE1 2.71Å; R484-E620 IonicContact CZ-OE2 3.9Å; R484-E620 IonicContact NH1-OE1 3.68Å; R484-E620 PolarHBondContact NH1-OE1 2.98Å; R484-E620 IonicContact NH1-OE2 3.03Å; R484-E620 PolarHBondContact NH1-OE2 3.1Å; R484-E620 IonicContact NH2-OE1 2.78Å; R484-E620 PolarHBondContact NH2-OE1 3.39Å; R484-E620 IonicContact NH2-OE2 3.86Å; R484-E620 PolarHBondContact NH2-OE2 2.93Å |
| 485 | I | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 153.6 | -174.9 | 58 | 159.7 | 0 | 0 | 0 | 111.2 | F483 A546 I547 D549 R553 G554 | F483-I485 HydrophobicContact CB-CG2 3.87Å; I485-A546 CarbonylContact O-C 3.57Å; I485-A546 WeakPolarHBondContact O-CA 3.5Å; I485-A546 WeakPolarHBondContact O-CB 3.32Å; I485-I547 HydrophobicContact CD1-CD1 4.11Å; I485-I547 HydrophobicContact CD1-CG1 3.81Å; I485-I547 HydrophobicContact CG1-CG1 3.71Å; I485-I547 WeakPolarHBondContact CG1-O 3.35Å; I485-I547 PolarHBondContact N-O 3.48Å; I485-I547 PolarHBondContact O-N 2.96Å; I485-D549 HydrophobicContact CD1-CB 3.46Å; I485-D549 VanDerWaalsContact CD1-CB 3.46Å; I485-D549 HydrophobicContact CG1-CB 3.87Å; I485-R553 HydrophobicContact CD1-CB 4.48Å; I485-R553 HydrophobicContact CG2-CB 4.49Å; I485-G554 VanDerWaalsContact CA-O 3.31Å; I485-G554 WeakPolarHBondContact CA-O 3.49Å; I485-G554 WeakPolarHBondContact CB-O 3.39Å |
| 486 | H | 96.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -141 | 103.5 | 173 | 177.4 | -175.6 | 0 | 0 | 0 | 106.7 | K544 A546 G554 H555 F556 G557 | H486-K544 PolarHBondContact CD2-O 3.43Å; H486-K544 VanDerWaalsContact CD2-O 3.31Å; H486-K544 PolarHBondContact NE2-O 2.96Å; H486-A546 HydrophobicContact CB-CB 4.09Å; H486-G554 PolarHBondContact N-O 3.11Å; H486-H555 HydrophobicContact CB-CB 4.43Å; H486-H555 AromaticContact ND1-CE1 3.74Å; H486-F556 WeakPolarHBondContact O-CB 3.42Å; H486-F556 PolarHBondContact O-N 2.79Å; H486-G557 PolarHBondContact ND1-N 2.94Å; H486-G557 VanDerWaalsContact ND1-N 3.19Å |
| 487 | D | 93.6 | Very high | 95.7 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 157.7 | -176.5 | -76 | -54.1 | 0 | 0 | 0 | 112.5 | K544 R553 | D487-K544 HydrophobicContact CB-CB 4.34Å; D487-K544 HydrophobicContact CB-CG 4.15Å; D487-R553 IonicContact OD1-CZ 2.69Å; D487-R553 IonicContact OD1-NE 3.01Å; D487-R553 PolarHBondContact OD1-NE 2.64Å; D487-R553 IonicContact OD2-CZ 3.85Å; D487-R553 IonicContact OD2-NE 2.77Å; D487-R553 IonicContact OD2-NH2 2.78Å; D487-R553 PolarHBondContact OD2-NH2 2.79Å |
| 488 | K | 94.1 | Very high | 95.7 | Very high | 101 Ų | 101 | 44.3 Ų | 44.3 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 149.4 | 172.9 | -72 | 176.8 | 175.9 | -178.5 | 0 | 111.4 | E515 K544 F556 | K488-E515 WeakPolarHBondContact CE-OE2 3.37Å; K488-E515 VanDerWaalsContact NZ-CD 3.28Å; K488-E515 IonicContact NZ-OE1 3.29Å; K488-E515 PolarHBondContact NZ-OE1 3.4Å; K488-E515 IonicContact NZ-OE2 2.8Å; K488-E515 PolarHBondContact NZ-OE2 3.21Å; K488-E515 VanDerWaalsContact NZ-OE2 3.13Å; K488-K544 WeakPolarHBondContact O-CG 3.5Å; K488-F556 HydrophobicContact CB-CD2 4.31Å; K488-F556 HydrophobicContact CB-CE2 4.5Å; K488-F556 HydrophobicContact CG-CD2 3.55Å; K488-F556 HydrophobicContact CG-CE2 3.82Å; K488-F556 HydrophobicContact CG-CG 4.48Å |
| 489 | P | 92.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -51.7 | 144 | 170.9 | -28.9 | 37.9 | 0 | 0 | 0 | 112 | I494 M543 F556 | P489-I494 HydrophobicContact CB-CD1 4.18Å; P489-I494 HydrophobicContact CB-CG1 3.83Å; P489-M543 HydrophobicContact CG-CE 3.62Å; P489-M543 HydrophobicContact CG-SD 3.58Å; P489-M543 VanDerWaalsContact CG-SD 3.58Å; P489-F556 HydrophobicContact CG-CD1 4.43Å; P489-F556 HydrophobicContact CG-CE1 3.98Å; P489-F556 HydrophobicContact CG-CZ 4.33Å |
| 490 | S | 91.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 40 Ų | 40 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 149.9 | 177.1 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | E492 A493 I494 | S490-E492 WeakPolarHBondContact CB-OE2 3.46Å; S490-E492 PolarHBondContact O-N 2.78Å; S490-E492 VanDerWaalsContact O-N 3.14Å; S490-A493 WeakPolarHBondContact O-CB 3.46Å; S490-A493 PolarHBondContact O-N 3.07Å; S490-A493 VanDerWaalsContact OG-CB 3.3Å; S490-A493 WeakPolarHBondContact OG-CB 3.46Å; S490-A493 PolarHBondContact OG-N 2.91Å; S490-I494 WeakPolarHBondContact O-CG1 3.44Å; S490-I494 PolarHBondContact O-N 3.09Å |
| 491 | T | 92.7 | Very high | 95.4 | Very high | 101 Ų | 101 | 39.2 Ų | 39.2 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -50.3 | -40.9 | 176.4 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | I494 T495 | T491-I494 PolarHBondContact O-N 3.13Å; T491-T495 WeakPolarHBondContact O-CB 3.47Å; T491-T495 PolarHBondContact O-N 2.61Å; T491-T495 PolarHBondContact O-OG1 3.2Å |
| 492 | E | 91.3 | Very high | 95.3 | Very high | 106 Ų | 106 | 42.3 Ų | 42.3 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 179.2 | -56.9 | 71.6 | -145.4 | 0 | 0 | 111.3 | K105 S490 T495 S496 | K105-E492 IonicContact NZ-OE2 3.5Å; S490-E492 WeakPolarHBondContact CB-OE2 3.46Å; S490-E492 PolarHBondContact O-N 2.78Å; S490-E492 VanDerWaalsContact O-N 3.14Å; E492-T495 PolarHBondContact O-N 2.92Å; E492-S496 WeakPolarHBondContact O-CB 3.26Å; E492-S496 PolarHBondContact O-N 3.47Å; E492-S496 PolarHBondContact O-OG 3.14Å |
| 493 | A | 92.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | S490 F497 | S490-A493 WeakPolarHBondContact O-CB 3.46Å; S490-A493 PolarHBondContact O-N 3.07Å; S490-A493 VanDerWaalsContact OG-CB 3.3Å; S490-A493 WeakPolarHBondContact OG-CB 3.46Å; S490-A493 PolarHBondContact OG-N 2.91Å; A493-F497 VanDerWaalsContact O-CB 3.26Å; A493-F497 WeakPolarHBondContact O-CB 3.34Å; A493-F497 PolarHBondContact O-N 3.42Å |
| 494 | I | 94.7 | Very high | 95.1 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 9% | 0.087 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 173.9 | -61.7 | 169 | 0 | 0 | 0 | 110.4 | P489 S490 T491 F497 R498 L508 P514 | P489-I494 HydrophobicContact CB-CD1 4.18Å; P489-I494 HydrophobicContact CB-CG1 3.83Å; S490-I494 WeakPolarHBondContact O-CG1 3.44Å; S490-I494 PolarHBondContact O-N 3.09Å; T491-I494 PolarHBondContact O-N 3.13Å; I494-F497 PolarHBondContact O-N 3.07Å; I494-R498 WeakPolarHBondContact O-CB 3.47Å; I494-R498 WeakPolarHBondContact O-CG 3.23Å; I494-R498 PolarHBondContact O-N 3Å; I494-L508 HydrophobicContact CG2-CD2 4.42Å; I494-P514 HydrophobicContact CD1-CG 4.23Å; I494-P514 HydrophobicContact CG2-CG 4.33Å |
| 495 | T | 95.1 | Very high | 95 | Very high | 77 Ų | 77 | 55 Ų | 55 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.9 | -50.1 | -179.2 | -56.8 | 0 | 0 | 0 | 0 | 111 | T491 E492 F497 R498 S499 | T491-T495 WeakPolarHBondContact O-CB 3.47Å; T491-T495 PolarHBondContact O-N 2.61Å; T491-T495 PolarHBondContact O-OG1 3.2Å; E492-T495 PolarHBondContact O-N 2.92Å; T495-F497 VanDerWaalsContact C-N 3.33Å; T495-F497 PolarHBondContact O-N 3.47Å; T495-R498 PolarHBondContact O-N 3.28Å; T495-S499 PolarHBondContact O-N 3.13Å; T495-S499 PolarHBondContact O-OG 3.12Å |
| 496 | S | 94.4 | Very high | 94.9 | Very high | 78 Ų | 78 | 56.3 Ų | 56.3 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 177.6 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | E492 S499 V500 | E492-S496 WeakPolarHBondContact O-CB 3.26Å; E492-S496 PolarHBondContact O-N 3.47Å; E492-S496 PolarHBondContact O-OG 3.14Å; S496-S499 PolarHBondContact O-N 3.37Å; S496-V500 WeakPolarHBondContact O-CG2 3.01Å; S496-V500 PolarHBondContact O-N 3.27Å |
| 497 | F | 95.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 177.2 | -173.4 | -126.2 | 0 | 0 | 0 | 111.7 | A493 I494 T495 S499 V500 L501 L508 L522 M538 L539 | A493-F497 VanDerWaalsContact O-CB 3.26Å; A493-F497 WeakPolarHBondContact O-CB 3.34Å; A493-F497 PolarHBondContact O-N 3.42Å; I494-F497 PolarHBondContact O-N 3.07Å; T495-F497 VanDerWaalsContact C-N 3.33Å; T495-F497 PolarHBondContact O-N 3.47Å; F497-S499 VanDerWaalsContact C-N 3.34Å; F497-S499 PolarHBondContact O-N 3.29Å; F497-V500 PolarHBondContact O-N 3.44Å; F497-V500 VanDerWaalsContact O-N 3.16Å; F497-L501 HydrophobicContact CD1-CD1 3.96Å; F497-L501 HydrophobicContact CE1-CD1 3.74Å; F497-L501 HydrophobicContact CE1-CG 4.34Å; F497-L501 HydrophobicContact CE2-CD2 4.4Å; F497-L501 HydrophobicContact CE2-CG 4.46Å; F497-L501 HydrophobicContact CZ-CD1 4.13Å; F497-L501 HydrophobicContact CZ-CD2 4.14Å; F497-L501 HydrophobicContact CZ-CG 4.28Å; F497-L501 WeakPolarHBondContact O-CG 3.38Å; F497-L501 PolarHBondContact O-N 3.29Å; F497-L508 HydrophobicContact CD1-CD2 4.36Å; F497-L522 HydrophobicContact CE1-CD2 3.54Å; F497-L522 HydrophobicContact CZ-CD2 3.83Å; F497-M538 HydrophobicContact CD2-CB 4.08Å; F497-M538 HydrophobicContact CE2-CB 3.99Å; F497-L539 HydrophobicContact CE1-CB 4.26Å; F497-L539 HydrophobicContact CE1-CD1 4.04Å; F497-L539 HydrophobicContact CE1-CG 4.14Å; F497-L539 HydrophobicContact CE2-CB 4.18Å; F497-L539 HydrophobicContact CZ-CB 3.77Å; F497-L539 HydrophobicContact CZ-CD1 3.97Å; F497-L539 HydrophobicContact CZ-CG 4.1Å |
| 498 | R | 96.4 | Very high | 95 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 25% | 0.253 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 173.6 | -81.7 | -175.1 | 164.9 | 148.5 | 5.2 | 113.4 | I494 T495 V500 L501 A502 L508 P509 G511 | I494-R498 WeakPolarHBondContact O-CB 3.47Å; I494-R498 WeakPolarHBondContact O-CG 3.23Å; I494-R498 PolarHBondContact O-N 3Å; T495-R498 PolarHBondContact O-N 3.28Å; R498-V500 VanDerWaalsContact C-N 3.26Å; R498-V500 PolarHBondContact O-N 2.99Å; R498-L501 PolarHBondContact O-N 3.46Å; R498-A502 WeakPolarHBondContact O-CB 3.31Å; R498-A502 PolarHBondContact O-N 3.35Å; R498-L508 HydrophobicContact CG-CB 4.24Å; R498-L508 PolarHBondContact NH2-O 3.01Å; R498-P509 PolarHBondContact NH2-O 3.28Å; R498-G511 PolarHBondContact NH1-O 2.89Å; R498-G511 PolarHBondContact NH2-O 3.41Å |
| 499 | S | 96.1 | Very high | 95.1 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 175 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | T495 S496 F497 E503 | T495-S499 PolarHBondContact O-N 3.13Å; T495-S499 PolarHBondContact O-OG 3.12Å; S496-S499 PolarHBondContact O-N 3.37Å; F497-S499 VanDerWaalsContact C-N 3.34Å; F497-S499 PolarHBondContact O-N 3.29Å; S499-E503 WeakPolarHBondContact O-CG 3.37Å; S499-E503 PolarHBondContact O-N 3.38Å |
| 500 | V | 96.3 | Very high | 95.1 | Very high | 41 Ų | 41 | 60 Ų | 60 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.6 | -44.4 | 177.9 | 175 | 0 | 0 | 0 | 0 | 111 | S496 F497 R498 A502 E503 L504 M538 | S496-V500 WeakPolarHBondContact O-CG2 3.01Å; S496-V500 PolarHBondContact O-N 3.27Å; F497-V500 PolarHBondContact O-N 3.44Å; F497-V500 VanDerWaalsContact O-N 3.16Å; R498-V500 VanDerWaalsContact C-N 3.26Å; R498-V500 PolarHBondContact O-N 2.99Å; V500-A502 VanDerWaalsContact C-N 3.32Å; V500-A502 PolarHBondContact O-N 3.37Å; V500-E503 PolarHBondContact O-N 3.41Å; V500-L504 HydrophobicContact CG1-CD1 4.4Å; V500-L504 WeakPolarHBondContact O-CG 3.13Å; V500-L504 PolarHBondContact O-N 2.95Å; V500-M538 HydrophobicContact CB-CE 4.15Å; V500-M538 HydrophobicContact CG1-CE 3.98Å; V500-M538 HydrophobicContact CG1-SD 3.95Å; V500-M538 HydrophobicContact CG2-CE 3.51Å |
| 501 | L | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 175.9 | -66.8 | 175.4 | 0 | 0 | 0 | 111.5 | F497 R498 E503 L504 G505 L506 L508 L522 L535 | F497-L501 HydrophobicContact CD1-CD1 3.96Å; F497-L501 HydrophobicContact CE1-CD1 3.74Å; F497-L501 HydrophobicContact CE1-CG 4.34Å; F497-L501 HydrophobicContact CE2-CD2 4.4Å; F497-L501 HydrophobicContact CE2-CG 4.46Å; F497-L501 HydrophobicContact CZ-CD1 4.13Å; F497-L501 HydrophobicContact CZ-CD2 4.14Å; F497-L501 HydrophobicContact CZ-CG 4.28Å; F497-L501 WeakPolarHBondContact O-CG 3.38Å; F497-L501 PolarHBondContact O-N 3.29Å; R498-L501 PolarHBondContact O-N 3.46Å; L501-E503 PolarHBondContact O-N 3.19Å; L501-L504 CarbonylContact O-C 3.51Å; L501-L504 WeakPolarHBondContact O-CA 3.39Å; L501-L504 PolarHBondContact O-N 3.14Å; L501-G505 PolarHBondContact O-N 2.89Å; L501-G505 VanDerWaalsContact O-N 3.14Å; L501-L506 CarbonylContact C-O 3.59Å; L501-L506 HydrophobicContact CB-CB 4.01Å; L501-L506 WeakPolarHBondContact CB-O 2.98Å; L501-L506 HydrophobicContact CD2-CB 3.96Å; L501-L506 HydrophobicContact CD2-CD1 4.06Å; L501-L506 PolarHBondContact O-N 2.97Å; L501-L506 VanDerWaalsContact O-O 3.1Å; L501-L508 HydrophobicContact CD1-CB 3.76Å; L501-L522 HydrophobicContact CD1-CD1 4.42Å; L501-L522 HydrophobicContact CD1-CD2 3.68Å; L501-L522 HydrophobicContact CD2-CD1 4.25Å; L501-L522 HydrophobicContact CD2-CD2 4.22Å; L501-L535 HydrophobicContact CD2-CD2 3.95Å |
| 502 | A | 96.5 | Very high | 95.2 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 55% | 0.554 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61 | -40.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R498 V500 L504 G505 L506 | R498-A502 WeakPolarHBondContact O-CB 3.31Å; R498-A502 PolarHBondContact O-N 3.35Å; V500-A502 VanDerWaalsContact C-N 3.32Å; V500-A502 PolarHBondContact O-N 3.37Å; A502-L504 PolarHBondContact O-N 2.95Å; A502-G505 PolarHBondContact O-N 3.48Å; A502-G505 VanDerWaalsContact O-N 3.09Å; A502-L506 PolarHBondContact N-O 2.9Å |
| 503 | E | 96.7 | Very high | 95.3 | Very high | 174 Ų | 174 | 66.2 Ų | 66.2 | 81% | 0.813 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.8 | -25.6 | 174.6 | -69.7 | -65.5 | 140.7 | 0 | 0 | 112.6 | S499 V500 L501 | S499-E503 WeakPolarHBondContact O-CG 3.37Å; S499-E503 PolarHBondContact O-N 3.38Å; V500-E503 PolarHBondContact O-N 3.41Å; L501-E503 PolarHBondContact O-N 3.19Å |
| 504 | L | 96.2 | Very high | 95.4 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 31% | 0.314 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.7 | 176.6 | -60.6 | 172.4 | 0 | 0 | 0 | 113.2 | V500 L501 A502 L506 M534 L535 | V500-L504 HydrophobicContact CG1-CD1 4.4Å; V500-L504 WeakPolarHBondContact O-CG 3.13Å; V500-L504 PolarHBondContact O-N 2.95Å; L501-L504 CarbonylContact O-C 3.51Å; L501-L504 WeakPolarHBondContact O-CA 3.39Å; L501-L504 PolarHBondContact O-N 3.14Å; A502-L504 PolarHBondContact O-N 2.95Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 HydrophobicContact CB-CD1 4.21Å; L504-L506 HydrophobicContact CB-CG 4.25Å; L504-M534 HydrophobicContact CD1-CE 4.19Å; L504-L535 HydrophobicContact CD1-CD1 4.49Å; L504-L535 HydrophobicContact CD1-CD2 3.79Å |
| 505 | G | 96 | Very high | 95.4 | Very high | 70 Ų | 70 | 68.6 Ų | 68.6 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 24.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | L501 A502 | L501-G505 PolarHBondContact O-N 2.89Å; L501-G505 VanDerWaalsContact O-N 3.14Å; A502-G505 PolarHBondContact O-N 3.48Å; A502-G505 VanDerWaalsContact O-N 3.09Å |
| 506 | L | 96.9 | Very high | 95.4 | Very high | 29 Ų | 29 | 65.4 Ų | 65.4 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | trans | -109.1 | 157.2 | 178 | -59.8 | 174.5 | 0 | 0 | 0 | 110.6 | L501 A502 L504 V526 L535 | L501-L506 CarbonylContact C-O 3.59Å; L501-L506 HydrophobicContact CB-CB 4.01Å; L501-L506 WeakPolarHBondContact CB-O 2.98Å; L501-L506 HydrophobicContact CD2-CB 3.96Å; L501-L506 HydrophobicContact CD2-CD1 4.06Å; L501-L506 PolarHBondContact O-N 2.97Å; L501-L506 VanDerWaalsContact O-O 3.1Å; A502-L506 PolarHBondContact N-O 2.9Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 HydrophobicContact CB-CD1 4.21Å; L504-L506 HydrophobicContact CB-CG 4.25Å; L506-V526 HydrophobicContact CD1-CG1 3.79Å; L506-L535 HydrophobicContact CD1-CD1 3.77Å | ||
| 507 | E | 96.3 | Very high | 95.3 | Very high | 170 Ų | 170 | 68.7 Ų | 68.7 | 79% | 0.794 | 38% | 0.384 | S | S | * | . | trans | -132.7 | 145.2 | 175.5 | -64.5 | -169.6 | 150.3 | 0 | 0 | 110.7 | P509 | E507-P509 WeakPolarHBondContact O-CD 3.43Š| ||
| 508 | L | 96.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.037 | 39% | 0.39 | C | S | . | . | trans | -91.7 | 117.2 | 167.5 | 175.1 | 65.8 | 0 | 0 | 0 | 108.7 | I494 F497 R498 L501 P514 Y519 L522 | I494-L508 HydrophobicContact CG2-CD2 4.42Å; F497-L508 HydrophobicContact CD1-CD2 4.36Å; R498-L508 HydrophobicContact CG-CB 4.24Å; R498-L508 PolarHBondContact NH2-O 3.01Å; L501-L508 HydrophobicContact CD1-CB 3.76Å; L508-P514 HydrophobicContact CD2-CB 4.15Å; L508-P514 HydrophobicContact CD2-CG 3.78Å; L508-P514 HydrophobicContact CG-CB 4.26Å; L508-P514 HydrophobicContact CG-CG 4.39Å; L508-Y519 HydrophobicContact CD1-CD1 3.97Å; L508-Y519 HydrophobicContact CD1-CD2 4.46Å; L508-Y519 HydrophobicContact CD1-CE1 4.16Å; L508-Y519 HydrophobicContact CD1-CG 4.15Å; L508-Y519 HydrophobicContact CD2-CD1 4.39Å; L508-Y519 HydrophobicContact CD2-CE1 3.74Å; L508-Y519 HydrophobicContact CD2-CE2 4.38Å; L508-L522 HydrophobicContact CB-CD2 4.41Å; L508-L522 HydrophobicContact CD1-CB 4.24Å; L508-L522 HydrophobicContact CD1-CD2 3.84Å | ||
| 509 | P | 94.9 | Very high | 95.3 | Very high | 42 Ų | 42 | 66.6 Ų | 66.6 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | trans | -61.3 | -171.4 | 177.8 | -23.3 | 34.8 | 0 | 0 | 0 | 114.1 | R498 E507 G511 D518 | R498-P509 PolarHBondContact NH2-O 3.28Å; E507-P509 WeakPolarHBondContact O-CD 3.43Å; P509-G511 PolarHBondContact O-N 3.46Å; P509-D518 HydrophobicContact CB-CB 4.12Å | ||
| 510 | G | 93.9 | Very high | 95.1 | Very high | 38 Ų | 38 | 64.6 Ų | 64.6 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 81.2 | 8.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | K513 D518 | G510-K513 CarbonylContact O-C 3.46Å; G510-D518 WeakPolarHBondContact CA-OD1 3.4Å; G510-D518 WeakPolarHBondContact CA-OD2 3.34Å; G510-D518 PolarHBondContact N-OD1 2.74Å |
| 511 | G | 94.7 | Very high | 95 | Very high | 45 Ų | 45 | 67.9 Ų | 67.9 | 46% | 0.464 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -146.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R498 P509 K513 | R498-G511 PolarHBondContact NH1-O 2.89Å; R498-G511 PolarHBondContact NH2-O 3.41Å; P509-G511 PolarHBondContact O-N 3.46Å; G511-K513 VanDerWaalsContact C-N 3.25Å; G511-K513 PolarHBondContact O-N 2.99Å |
| 512 | N | 92.2 | Very high | 94.9 | Very high | 152 Ų | 152 | 68.1 Ų | 68.1 | 81% | 0.813 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.8 | -173.8 | -70.4 | -22.9 | 0 | 0 | 0 | 114.7 | ||
| 513 | K | 92.9 | Very high | 94.7 | Very high | 162 Ų | 162 | 65.9 Ų | 65.9 | 70% | 0.704 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -134.9 | 73.9 | -178.3 | -66.7 | -172.9 | -180 | -177.8 | 0 | 109.1 | G510 G511 | G510-K513 CarbonylContact O-C 3.46Å; G511-K513 VanDerWaalsContact C-N 3.25Å; G511-K513 PolarHBondContact O-N 2.99Å |
| 514 | P | 94.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.013 | 35% | 0.354 | C | S | . | . | trans | -57.9 | 139.3 | 177.2 | 25.7 | -35 | 0 | 0 | 0 | 111 | I494 L508 D518 Y519 | I494-P514 HydrophobicContact CD1-CG 4.23Å; I494-P514 HydrophobicContact CG2-CG 4.33Å; L508-P514 HydrophobicContact CD2-CB 4.15Å; L508-P514 HydrophobicContact CD2-CG 3.78Å; L508-P514 HydrophobicContact CG-CB 4.26Å; L508-P514 HydrophobicContact CG-CG 4.39Å; P514-D518 WeakPolarHBondContact CA-OD2 3.25Å; P514-D518 HydrophobicContact CB-CB 4.01Å; P514-Y519 HydrophobicContact CB-CD2 4.27Å; P514-Y519 HydrophobicContact CB-CE2 3.61Å; P514-Y519 HydrophobicContact CG-CE2 3.61Å; P514-Y519 WeakPolarHBondContact CG-OH 3.28Å | ||
| 515 | E | 94.9 | Very high | 94.4 | Very high | 82 Ų | 82 | 65.4 Ų | 65.4 | 38% | 0.383 | 36% | 0.362 | S | S | . | . | trans | -96.3 | 165.8 | 175.5 | -64.6 | -60.7 | 148 | 0 | 0 | 109.9 | K488 R517 D518 Y519 | K488-E515 WeakPolarHBondContact CE-OE2 3.37Å; K488-E515 VanDerWaalsContact NZ-CD 3.28Å; K488-E515 IonicContact NZ-OE1 3.29Å; K488-E515 PolarHBondContact NZ-OE1 3.4Å; K488-E515 IonicContact NZ-OE2 2.8Å; K488-E515 PolarHBondContact NZ-OE2 3.21Å; K488-E515 VanDerWaalsContact NZ-OE2 3.13Å; E515-R517 PolarHBondContact O-N 3.38Å; E515-D518 PolarHBondContact N-OD2 3.19Å; E515-D518 WeakPolarHBondContact O-CB 3.42Å; E515-D518 PolarHBondContact O-N 2.78Å; E515-Y519 WeakPolarHBondContact O-CD2 3.48Å | ||
| 516 | P | 93.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.071 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.3 | -33.9 | -175.1 | -30.5 | 38.3 | 0 | 0 | 0 | 114.8 | G425 I427 D518 Y519 A520 F556 A559 | G425-P516 CarbonylContact O-C 3.4Å; G425-P516 WeakPolarHBondContact O-CB 3.44Å; I427-P516 HydrophobicContact CD1-CB 4.47Å; I427-P516 HydrophobicContact CG1-CB 4.35Å; P516-D518 VanDerWaalsContact C-N 3.32Å; P516-D518 PolarHBondContact O-N 3.3Å; P516-Y519 PolarHBondContact O-N 3.09Å; P516-A520 PolarHBondContact O-N 2.78Å; P516-F556 VanDerWaalsContact CD-CE2 3.46Å; P516-F556 HydrophobicContact CG-CD1 4.37Å; P516-F556 HydrophobicContact CG-CD2 3.67Å; P516-F556 HydrophobicContact CG-CE1 4.31Å; P516-F556 HydrophobicContact CG-CE2 3.63Å; P516-F556 HydrophobicContact CG-CG 4.06Å; P516-F556 HydrophobicContact CG-CZ 3.94Å; P516-F556 WeakPolarHBondContact CG-O 3.43Å; P516-A559 HydrophobicContact CB-CB 3.77Å; P516-A559 HydrophobicContact CG-CB 4.06Å |
| 517 | R | 94.2 | Very high | 94.1 | Very high | 147 Ų | 147 | 63.9 Ų | 63.9 | 56% | 0.555 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.2 | -37.5 | 176 | -173.6 | 179.3 | -69.3 | 120.2 | 0 | 112.7 | E423 E515 Y519 A520 E521 | E423-R517 PolarHBondContact O-NH2 2.9Å; E515-R517 PolarHBondContact O-N 3.38Å; R517-Y519 VanDerWaalsContact C-N 3.29Å; R517-Y519 PolarHBondContact O-N 2.76Å; R517-A520 PolarHBondContact O-N 2.92Å; R517-E521 WeakPolarHBondContact O-CB 3.48Å; R517-E521 PolarHBondContact O-N 3.22Å |
| 518 | D | 95.8 | Very high | 94 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 179.2 | -55.8 | -62 | 0 | 0 | 0 | 111.1 | P509 G510 P514 E515 P516 L522 | P509-D518 HydrophobicContact CB-CB 4.12Å; G510-D518 WeakPolarHBondContact CA-OD1 3.4Å; G510-D518 WeakPolarHBondContact CA-OD2 3.34Å; G510-D518 PolarHBondContact N-OD1 2.74Å; P514-D518 WeakPolarHBondContact CA-OD2 3.25Å; P514-D518 HydrophobicContact CB-CB 4.01Å; E515-D518 PolarHBondContact N-OD2 3.19Å; E515-D518 WeakPolarHBondContact O-CB 3.42Å; E515-D518 PolarHBondContact O-N 2.78Å; P516-D518 VanDerWaalsContact C-N 3.32Å; P516-D518 PolarHBondContact O-N 3.3Å; D518-L522 PolarHBondContact O-N 2.99Å; D518-L522 VanDerWaalsContact O-N 3.13Å |
| 519 | Y | 94.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72 | -38.4 | 174 | -70.8 | -92.3 | 0 | 0 | 0 | 112.1 | I427 L508 P514 E515 P516 R517 L522 L523 L539 M543 F556 | I427-Y519 HydrophobicContact CD1-CG 4.28Å; L508-Y519 HydrophobicContact CD1-CD1 3.97Å; L508-Y519 HydrophobicContact CD1-CD2 4.46Å; L508-Y519 HydrophobicContact CD1-CE1 4.16Å; L508-Y519 HydrophobicContact CD1-CG 4.15Å; L508-Y519 HydrophobicContact CD2-CD1 4.39Å; L508-Y519 HydrophobicContact CD2-CE1 3.74Å; L508-Y519 HydrophobicContact CD2-CE2 4.38Å; P514-Y519 HydrophobicContact CB-CD2 4.27Å; P514-Y519 HydrophobicContact CB-CE2 3.61Å; P514-Y519 HydrophobicContact CG-CE2 3.61Å; P514-Y519 WeakPolarHBondContact CG-OH 3.28Å; E515-Y519 WeakPolarHBondContact O-CD2 3.48Å; P516-Y519 PolarHBondContact O-N 3.09Å; R517-Y519 VanDerWaalsContact C-N 3.29Å; R517-Y519 PolarHBondContact O-N 2.76Å; Y519-L522 PolarHBondContact O-N 3.07Å; Y519-L523 WeakPolarHBondContact O-CB 3.43Å; Y519-L523 WeakPolarHBondContact O-CG 3.38Å; Y519-L523 PolarHBondContact O-N 2.86Å; Y519-L539 HydrophobicContact CD1-CD1 3.81Å; Y519-L539 HydrophobicContact CD1-CD2 4.05Å; Y519-L539 HydrophobicContact CD1-CG 3.84Å; Y519-L539 HydrophobicContact CE1-CG 4.42Å; Y519-M543 HydrophobicContact CD1-CE 3.74Å; Y519-M543 HydrophobicContact CE1-CE 3.59Å; Y519-M543 HydrophobicContact CG-CE 4.32Å; Y519-F556 AromaticContact CD2-CE1 3.95Å; Y519-F556 HydrophobicContact CD2-CE1 3.95Å; Y519-F556 AromaticContact CD2-CZ 3.65Å; Y519-F556 HydrophobicContact CD2-CZ 3.65Å; Y519-F556 AromaticContact CE2-CE1 3.95Å; Y519-F556 HydrophobicContact CE2-CE1 3.95Å; Y519-F556 AromaticContact CE2-CZ 3.47Å; Y519-F556 HydrophobicContact CE2-CZ 3.47Å; Y519-F556 VanDerWaalsContact CE2-CZ 3.47Å |
| 520 | A | 92.8 | Very high | 94 | Very high | 26 Ų | 26 | 71 Ų | 71 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P516 R517 L522 L523 E524 | P516-A520 PolarHBondContact O-N 2.78Å; R517-A520 PolarHBondContact O-N 2.92Å; A520-L522 VanDerWaalsContact C-N 3.34Å; A520-L522 PolarHBondContact O-N 3.08Å; A520-L523 PolarHBondContact O-N 3.31Å; A520-E524 PolarHBondContact O-N 2.74Å |
| 521 | E | 94 | Very high | 94 | Very high | 111 Ų | 111 | 70.7 Ų | 70.7 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 174.1 | -177.8 | 178.8 | 173.5 | 0 | 0 | 111.4 | R517 E524 S525 | R517-E521 WeakPolarHBondContact O-CB 3.48Å; R517-E521 PolarHBondContact O-N 3.22Å; E521-E524 PolarHBondContact O-N 3.04Å; E521-S525 PolarHBondContact O-N 3.25Å |
| 522 | L | 94.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 173.8 | 175.4 | 64.8 | 0 | 0 | 0 | 111.2 | F497 L501 L508 D518 Y519 A520 E524 S525 V526 L539 | F497-L522 HydrophobicContact CE1-CD2 3.54Å; F497-L522 HydrophobicContact CZ-CD2 3.83Å; L501-L522 HydrophobicContact CD1-CD1 4.42Å; L501-L522 HydrophobicContact CD1-CD2 3.68Å; L501-L522 HydrophobicContact CD2-CD1 4.25Å; L501-L522 HydrophobicContact CD2-CD2 4.22Å; L508-L522 HydrophobicContact CB-CD2 4.41Å; L508-L522 HydrophobicContact CD1-CB 4.24Å; L508-L522 HydrophobicContact CD1-CD2 3.84Å; D518-L522 PolarHBondContact O-N 2.99Å; D518-L522 VanDerWaalsContact O-N 3.13Å; Y519-L522 PolarHBondContact O-N 3.07Å; A520-L522 VanDerWaalsContact C-N 3.34Å; A520-L522 PolarHBondContact O-N 3.08Å; L522-E524 VanDerWaalsContact C-N 3.32Å; L522-E524 PolarHBondContact O-N 2.94Å; L522-S525 PolarHBondContact O-N 3.28Å; L522-S525 VanDerWaalsContact O-N 3.13Å; L522-S525 PolarHBondContact O-OG 3.48Å; L522-V526 HydrophobicContact CD1-CG1 3.99Å; L522-V526 WeakPolarHBondContact O-CG1 3.28Å; L522-V526 WeakPolarHBondContact O-CG2 3.48Å; L522-V526 PolarHBondContact O-N 2.9Å; L522-V526 VanDerWaalsContact O-N 3.16Å; L522-L539 HydrophobicContact CD2-CD1 4.33Å |
| 523 | L | 92.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 69.1 Ų | 69.1 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | -179.7 | -78.1 | 175.1 | 0 | 0 | 0 | 112.7 | I427 F429 Y519 A520 S525 V526 A527 Q536 L539 | I427-L523 HydrophobicContact CG2-CD1 3.74Å; F429-L523 HydrophobicContact CE1-CD1 4.42Å; Y519-L523 WeakPolarHBondContact O-CB 3.43Å; Y519-L523 WeakPolarHBondContact O-CG 3.38Å; Y519-L523 PolarHBondContact O-N 2.86Å; A520-L523 PolarHBondContact O-N 3.31Å; L523-S525 VanDerWaalsContact C-N 3.35Å; L523-V526 WeakPolarHBondContact O-CG2 2.94Å; L523-V526 PolarHBondContact O-N 2.88Å; L523-A527 PolarHBondContact O-N 3.14Å; L523-Q536 HydrophobicContact CD2-CB 4.49Å; L523-Q536 HydrophobicContact CD2-CG 3.59Å; L523-L539 HydrophobicContact CD1-CD1 4.27Å; L523-L539 HydrophobicContact CD2-CD1 3.88Å; L523-L539 HydrophobicContact CG-CD1 3.85Å |
| 524 | E | 92.4 | Very high | 93.9 | Very high | 155 Ų | 155 | 65.7 Ų | 65.7 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 174.5 | -171.7 | 177.5 | -176.7 | 0 | 0 | 111.1 | A520 E521 L522 V526 A527 | A520-E524 PolarHBondContact O-N 2.74Å; E521-E524 PolarHBondContact O-N 3.04Å; L522-E524 VanDerWaalsContact C-N 3.32Å; L522-E524 PolarHBondContact O-N 2.94Å; E524-V526 PolarHBondContact O-N 3.41Å; E524-A527 PolarHBondContact O-N 2.95Å |
| 525 | S | 93.7 | Very high | 93.9 | Very high | 68 Ų | 68 | 65.8 Ų | 65.8 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.2 | -18.1 | -179.2 | 76.4 | 0 | 0 | 0 | 0 | 115 | E521 L522 L523 | E521-S525 PolarHBondContact O-N 3.25Å; L522-S525 PolarHBondContact O-N 3.28Å; L522-S525 VanDerWaalsContact O-N 3.13Å; L522-S525 PolarHBondContact O-OG 3.48Å; L523-S525 VanDerWaalsContact C-N 3.35Å |
| 526 | V | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -109 | -0.8 | -178.2 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | L506 L522 L523 E524 D528 R529 A532 L535 | L506-V526 HydrophobicContact CD1-CG1 3.79Å; L522-V526 HydrophobicContact CD1-CG1 3.99Å; L522-V526 WeakPolarHBondContact O-CG1 3.28Å; L522-V526 WeakPolarHBondContact O-CG2 3.48Å; L522-V526 PolarHBondContact O-N 2.9Å; L522-V526 VanDerWaalsContact O-N 3.16Å; L523-V526 WeakPolarHBondContact O-CG2 2.94Å; L523-V526 PolarHBondContact O-N 2.88Å; E524-V526 PolarHBondContact O-N 3.41Å; V526-D528 VanDerWaalsContact C-N 3.28Å; V526-D528 PolarHBondContact O-N 2.79Å; V526-R529 HydrophobicContact CB-CG 4.48Å; V526-R529 WeakPolarHBondContact O-CB 3.43Å; V526-R529 PolarHBondContact O-N 3.42Å; V526-R529 VanDerWaalsContact O-N 3.13Å; V526-A532 VanDerWaalsContact O-CB 3.24Å; V526-A532 WeakPolarHBondContact O-CB 3.4Å; V526-L535 HydrophobicContact CB-CD1 3.95Å; V526-L535 HydrophobicContact CG1-CD1 3.83Å; V526-L535 HydrophobicContact CG2-CD1 4.3Å |
| 527 | A | 92 | Very high | 93.7 | Very high | 67 Ų | 67 | 66.2 Ų | 66.2 | 55% | 0.554 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -30.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L523 E524 | L523-A527 PolarHBondContact O-N 3.14Å; E524-A527 PolarHBondContact O-N 2.95Å |
| 528 | D | 94.2 | Very high | 93.6 | Very high | 147 Ų | 147 | 62.3 Ų | 62.3 | 79% | 0.786 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 2.6 | -179.4 | 65.8 | -16.5 | 0 | 0 | 0 | 113.7 | V526 | V526-D528 VanDerWaalsContact C-N 3.28Å; V526-D528 PolarHBondContact O-N 2.79Å |
| 529 | R | 95.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 61 Ų | 61 | 29% | 0.291 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -83.4 | 149 | -176.8 | -62.5 | 178.6 | 54.2 | 95.3 | -0.1 | 112.5 | V526 D531 A532 | V526-R529 HydrophobicContact CB-CG 4.48Å; V526-R529 WeakPolarHBondContact O-CB 3.43Å; V526-R529 PolarHBondContact O-N 3.42Å; V526-R529 VanDerWaalsContact O-N 3.13Å; R529-D531 WeakPolarHBondContact CB-OD1 3.3Å; R529-D531 IonicContact CZ-OD1 2.97Å; R529-D531 IonicContact CZ-OD2 3.91Å; R529-D531 IonicContact NE-OD1 3.69Å; R529-D531 PolarHBondContact NE-OD1 2.67Å; R529-D531 IonicContact NE-OD2 2.99Å; R529-D531 IonicContact NH2-OD1 3.48Å; R529-D531 PolarHBondContact NH2-OD1 3.13Å; R529-D531 IonicContact NH2-OD2 3.16Å; R529-D531 PolarHBondContact NH2-OD2 2.86Å; R529-D531 PolarHBondContact O-N 3.01Å; R529-D531 VanDerWaalsContact O-N 3.15Å; R529-A532 VanDerWaalsContact O-CB 3.27Å; R529-A532 WeakPolarHBondContact O-CB 3.26Å; R529-A532 PolarHBondContact O-N 2.82Å; R529-A532 VanDerWaalsContact O-N 3.14Å |
| 530 | P | 95.7 | Very high | 93.2 | Very high | 144 Ų | 144 | 65.3 Ų | 65.3 | 94% | 0.935 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23 | 173.7 | -22.8 | 33.5 | 0 | 0 | 0 | 114.4 | ||
| 531 | D | 94.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 74 Ų | 74 | 17% | 0.166 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 12.3 | -179.3 | 58.9 | 4 | 0 | 0 | 0 | 113.2 | R529 E533 M534 L535 | R529-D531 WeakPolarHBondContact CB-OD1 3.3Å; R529-D531 IonicContact CZ-OD1 2.97Å; R529-D531 IonicContact CZ-OD2 3.91Å; R529-D531 IonicContact NE-OD1 3.69Å; R529-D531 PolarHBondContact NE-OD1 2.67Å; R529-D531 IonicContact NE-OD2 2.99Å; R529-D531 IonicContact NH2-OD1 3.48Å; R529-D531 PolarHBondContact NH2-OD1 3.13Å; R529-D531 IonicContact NH2-OD2 3.16Å; R529-D531 PolarHBondContact NH2-OD2 2.86Å; R529-D531 PolarHBondContact O-N 3.01Å; R529-D531 VanDerWaalsContact O-N 3.15Å; D531-E533 PolarHBondContact O-N 2.96Å; D531-M534 HydrophobicContact CB-CE 4.13Å; D531-M534 WeakPolarHBondContact O-CB 3.44Å; D531-M534 PolarHBondContact O-N 2.81Å; D531-M534 VanDerWaalsContact O-N 3.16Å; D531-L535 WeakPolarHBondContact O-CG 3.45Å; D531-L535 PolarHBondContact O-N 3.03Å |
| 532 | A | 93.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 69.3 Ų | 69.3 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -53.7 | -47.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V526 R529 M534 L535 Q536 | V526-A532 VanDerWaalsContact O-CB 3.24Å; V526-A532 WeakPolarHBondContact O-CB 3.4Å; R529-A532 VanDerWaalsContact O-CB 3.27Å; R529-A532 WeakPolarHBondContact O-CB 3.26Å; R529-A532 PolarHBondContact O-N 2.82Å; R529-A532 VanDerWaalsContact O-N 3.14Å; A532-M534 VanDerWaalsContact C-N 3.34Å; A532-M534 PolarHBondContact O-N 3.49Å; A532-L535 PolarHBondContact O-N 2.62Å; A532-Q536 WeakPolarHBondContact O-CB 3.25Å; A532-Q536 VanDerWaalsContact O-CG 3.27Å; A532-Q536 WeakPolarHBondContact O-CG 3.48Å; A532-Q536 PolarHBondContact O-N 3.07Å |
| 533 | E | 91.4 | Very high | 92.7 | Very high | 154 Ų | 154 | 70.2 Ų | 70.2 | 72% | 0.72 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | -179.8 | -170.2 | -170.2 | 163.2 | 0 | 0 | 112.1 | D531 Q536 T537 | D531-E533 PolarHBondContact O-N 2.96Å; E533-Q536 PolarHBondContact O-N 3.01Å; E533-T537 VanDerWaalsContact O-CB 3.3Å; E533-T537 WeakPolarHBondContact O-CB 3.04Å; E533-T537 PolarHBondContact O-N 3.32Å; E533-T537 PolarHBondContact O-OG1 3.39Å |
| 534 | M | 93.5 | Very high | 92.6 | Very high | 90 Ų | 90 | 73.8 Ų | 73.8 | 44% | 0.443 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 175.3 | -178.8 | -169.7 | 74.7 | 0 | 0 | 110.3 | L504 D531 A532 T537 M538 | L504-M534 HydrophobicContact CD1-CE 4.19Å; D531-M534 HydrophobicContact CB-CE 4.13Å; D531-M534 WeakPolarHBondContact O-CB 3.44Å; D531-M534 PolarHBondContact O-N 2.81Å; D531-M534 VanDerWaalsContact O-N 3.16Å; A532-M534 VanDerWaalsContact C-N 3.34Å; A532-M534 PolarHBondContact O-N 3.49Å; M534-T537 PolarHBondContact O-N 2.89Å; M534-M538 HydrophobicContact CG-SD 4.2Å; M534-M538 VanDerWaalsContact O-CG 3.29Å; M534-M538 WeakPolarHBondContact O-CG 3.39Å; M534-M538 PolarHBondContact O-N 3.37Å |
| 535 | L | 94.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 179.5 | -67.7 | 177.1 | 0 | 0 | 0 | 111.9 | L501 L504 L506 V526 D531 A532 M538 L539 | L501-L535 HydrophobicContact CD2-CD2 3.95Å; L504-L535 HydrophobicContact CD1-CD1 4.49Å; L504-L535 HydrophobicContact CD1-CD2 3.79Å; L506-L535 HydrophobicContact CD1-CD1 3.77Å; V526-L535 HydrophobicContact CB-CD1 3.95Å; V526-L535 HydrophobicContact CG1-CD1 3.83Å; V526-L535 HydrophobicContact CG2-CD1 4.3Å; D531-L535 WeakPolarHBondContact O-CG 3.45Å; D531-L535 PolarHBondContact O-N 3.03Å; A532-L535 PolarHBondContact O-N 2.62Å; L535-M538 PolarHBondContact O-N 3.27Å; L535-L539 VanDerWaalsContact O-CB 3.29Å; L535-L539 WeakPolarHBondContact O-CB 3.38Å; L535-L539 PolarHBondContact O-N 3.25Å |
| 536 | Q | 91.9 | Very high | 92.7 | Very high | 54 Ų | 54 | 69 Ų | 69 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 174.1 | -74.7 | 175.1 | 21.4 | 0 | 0 | 111.7 | L523 A532 E533 M538 L539 L540 | L523-Q536 HydrophobicContact CD2-CB 4.49Å; L523-Q536 HydrophobicContact CD2-CG 3.59Å; A532-Q536 WeakPolarHBondContact O-CB 3.25Å; A532-Q536 VanDerWaalsContact O-CG 3.27Å; A532-Q536 WeakPolarHBondContact O-CG 3.48Å; A532-Q536 PolarHBondContact O-N 3.07Å; E533-Q536 PolarHBondContact O-N 3.01Å; Q536-M538 PolarHBondContact O-N 3.43Å; Q536-L539 PolarHBondContact O-N 3.41Å; Q536-L540 WeakPolarHBondContact O-CB 3.34Å; Q536-L540 PolarHBondContact O-N 3.26Å |
| 537 | T | 91.6 | Very high | 92.8 | Very high | 49 Ų | 49 | 71 Ų | 71 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 178.3 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | E533 M534 L540 R541 | E533-T537 VanDerWaalsContact O-CB 3.3Å; E533-T537 WeakPolarHBondContact O-CB 3.04Å; E533-T537 PolarHBondContact O-N 3.32Å; E533-T537 PolarHBondContact O-OG1 3.39Å; M534-T537 PolarHBondContact O-N 2.89Å; T537-L540 PolarHBondContact O-N 3.28Å; T537-R541 WeakPolarHBondContact O-CB 3.37Å; T537-R541 VanDerWaalsContact O-CG 3.27Å; T537-R541 WeakPolarHBondContact O-CG 3.29Å; T537-R541 PolarHBondContact O-N 3.42Å |
| 538 | M | 92.7 | Very high | 93.1 | Very high | 65 Ų | 65 | 68.3 Ų | 68.3 | 32% | 0.32 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 177.3 | -69.3 | -176.8 | 80.3 | 0 | 0 | 111.8 | F497 V500 M534 L535 Q536 R541 S542 | F497-M538 HydrophobicContact CD2-CB 4.08Å; F497-M538 HydrophobicContact CE2-CB 3.99Å; V500-M538 HydrophobicContact CB-CE 4.15Å; V500-M538 HydrophobicContact CG1-CE 3.98Å; V500-M538 HydrophobicContact CG1-SD 3.95Å; V500-M538 HydrophobicContact CG2-CE 3.51Å; M534-M538 HydrophobicContact CG-SD 4.2Å; M534-M538 VanDerWaalsContact O-CG 3.29Å; M534-M538 WeakPolarHBondContact O-CG 3.39Å; M534-M538 PolarHBondContact O-N 3.37Å; L535-M538 PolarHBondContact O-N 3.27Å; Q536-M538 PolarHBondContact O-N 3.43Å; M538-R541 PolarHBondContact O-N 3.13Å; M538-S542 PolarHBondContact O-N 2.86Å |
| 539 | L | 92.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 175.3 | -167.6 | 158.3 | 0 | 0 | 0 | 110.3 | I427 F429 F497 Y519 L522 L523 L535 Q536 R541 S542 M543 | I427-L539 HydrophobicContact CG2-CD2 4.45Å; F429-L539 HydrophobicContact CE1-CB 4.49Å; F429-L539 HydrophobicContact CE1-CD2 3.61Å; F429-L539 HydrophobicContact CZ-CD2 3.36Å; F497-L539 HydrophobicContact CE1-CB 4.26Å; F497-L539 HydrophobicContact CE1-CD1 4.04Å; F497-L539 HydrophobicContact CE1-CG 4.14Å; F497-L539 HydrophobicContact CE2-CB 4.18Å; F497-L539 HydrophobicContact CZ-CB 3.77Å; F497-L539 HydrophobicContact CZ-CD1 3.97Å; F497-L539 HydrophobicContact CZ-CG 4.1Å; Y519-L539 HydrophobicContact CD1-CD1 3.81Å; Y519-L539 HydrophobicContact CD1-CD2 4.05Å; Y519-L539 HydrophobicContact CD1-CG 3.84Å; Y519-L539 HydrophobicContact CE1-CG 4.42Å; L522-L539 HydrophobicContact CD2-CD1 4.33Å; L523-L539 HydrophobicContact CD1-CD1 4.27Å; L523-L539 HydrophobicContact CD2-CD1 3.88Å; L523-L539 HydrophobicContact CG-CD1 3.85Å; L535-L539 VanDerWaalsContact O-CB 3.29Å; L535-L539 WeakPolarHBondContact O-CB 3.38Å; L535-L539 PolarHBondContact O-N 3.25Å; Q536-L539 PolarHBondContact O-N 3.41Å; L539-R541 PolarHBondContact O-N 3.16Å; L539-S542 WeakPolarHBondContact O-CB 3.47Å; L539-S542 PolarHBondContact O-N 2.83Å; L539-S542 PolarHBondContact O-OG 2.92Å; L539-M543 HydrophobicContact CD2-CE 3.59Å; L539-M543 HydrophobicContact CG-CE 4.22Å; L539-M543 WeakPolarHBondContact O-CG 3.48Å; L539-M543 PolarHBondContact O-N 2.81Å |
| 540 | L | 90.6 | Very high | 93.4 | Very high | 92 Ų | 92 | 59.8 Ų | 59.8 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 176.8 | -178.4 | 62.2 | 0 | 0 | 0 | 111.7 | F429 Q536 T537 S542 M543 | F429-L540 HydrophobicContact CD1-CB 4.28Å; F429-L540 HydrophobicContact CD2-CD1 3.92Å; F429-L540 HydrophobicContact CE1-CB 3.81Å; F429-L540 HydrophobicContact CE1-CD1 4.38Å; F429-L540 HydrophobicContact CE2-CD1 3.64Å; F429-L540 HydrophobicContact CG-CD1 4.38Å; F429-L540 HydrophobicContact CZ-CB 3.94Å; F429-L540 HydrophobicContact CZ-CD1 3.88Å; Q536-L540 WeakPolarHBondContact O-CB 3.34Å; Q536-L540 PolarHBondContact O-N 3.26Å; T537-L540 PolarHBondContact O-N 3.28Å; L540-S542 PolarHBondContact O-N 2.87Å; L540-M543 WeakPolarHBondContact O-CB 3.43Å; L540-M543 PolarHBondContact O-N 3.4Å; L540-M543 VanDerWaalsContact O-N 3.11Å |
| 541 | R | 90 | Very high | 93.5 | Very high | 207 Ų | 207 | 58.6 Ų | 58.6 | 78% | 0.781 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.2 | -18.5 | 177 | -72.3 | 176.2 | -178.7 | 177.5 | 3.4 | 113.8 | T537 M538 L539 M543 | T537-R541 WeakPolarHBondContact O-CB 3.37Å; T537-R541 VanDerWaalsContact O-CG 3.27Å; T537-R541 WeakPolarHBondContact O-CG 3.29Å; T537-R541 PolarHBondContact O-N 3.42Å; M538-R541 PolarHBondContact O-N 3.13Å; L539-R541 PolarHBondContact O-N 3.16Å; R541-M543 VanDerWaalsContact C-N 3.34Å |
| 542 | S | 89.9 | Confident | 93.7 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -79.6 | -18.8 | 174.5 | 83.1 | 0 | 0 | 0 | 0 | 113 | M538 L539 L540 | M538-S542 PolarHBondContact O-N 2.86Å; L539-S542 WeakPolarHBondContact O-CB 3.47Å; L539-S542 PolarHBondContact O-N 2.83Å; L539-S542 PolarHBondContact O-OG 2.92Å; L540-S542 PolarHBondContact O-N 2.87Å |
| 543 | M | 90.8 | Very high | 93.8 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -73 | 156.9 | 179.9 | -61.1 | -63.2 | 139 | 0 | 0 | 111.7 | I427 P489 Y519 L539 L540 R541 F556 | I427-M543 HydrophobicContact CD1-CE 4.4Å; I427-M543 HydrophobicContact CD1-SD 4.48Å; P489-M543 HydrophobicContact CG-CE 3.62Å; P489-M543 HydrophobicContact CG-SD 3.58Å; P489-M543 VanDerWaalsContact CG-SD 3.58Å; Y519-M543 HydrophobicContact CD1-CE 3.74Å; Y519-M543 HydrophobicContact CE1-CE 3.59Å; Y519-M543 HydrophobicContact CG-CE 4.32Å; L539-M543 HydrophobicContact CD2-CE 3.59Å; L539-M543 HydrophobicContact CG-CE 4.22Å; L539-M543 WeakPolarHBondContact O-CG 3.48Å; L539-M543 PolarHBondContact O-N 2.81Å; L540-M543 WeakPolarHBondContact O-CB 3.43Å; L540-M543 PolarHBondContact O-N 3.4Å; L540-M543 VanDerWaalsContact O-N 3.11Å; R541-M543 VanDerWaalsContact C-N 3.34Å; M543-F556 HydrophobicContact CE-CE1 4.05Å; M543-F556 HydrophobicContact SD-CD1 3.72Å; M543-F556 HydrophobicContact SD-CE1 3.73Å |
| 544 | K | 90.8 | Very high | 94.1 | Very high | 96 Ų | 96 | 55.7 Ų | 55.7 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 157.8 | 174.9 | -69.2 | -78.8 | -173.9 | 157.1 | 0 | 109.7 | H486 D487 K488 | H486-K544 PolarHBondContact CD2-O 3.43Å; H486-K544 VanDerWaalsContact CD2-O 3.31Å; H486-K544 PolarHBondContact NE2-O 2.96Å; D487-K544 HydrophobicContact CB-CB 4.34Å; D487-K544 HydrophobicContact CB-CG 4.15Å; K488-K544 WeakPolarHBondContact O-CG 3.5Å |
| 545 | Q | 92.1 | Very high | 94.3 | Very high | 106 Ų | 106 | 52.4 Ų | 52.4 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -74.4 | 136.4 | 167.8 | -169.9 | 173.7 | 6.5 | 0 | 0 | 109.4 | ||
| 546 | A | 95.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 144.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I485 H486 | I485-A546 CarbonylContact O-C 3.57Å; I485-A546 WeakPolarHBondContact O-CA 3.5Å; I485-A546 WeakPolarHBondContact O-CB 3.32Å; H486-A546 HydrophobicContact CB-CB 4.09Å |
| 547 | I | 97.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 166.7 | -177.1 | 63.1 | 171.7 | 0 | 0 | 0 | 111.4 | I485 | I485-I547 HydrophobicContact CD1-CD1 4.11Å; I485-I547 HydrophobicContact CD1-CG1 3.81Å; I485-I547 HydrophobicContact CG1-CG1 3.71Å; I485-I547 WeakPolarHBondContact CG1-O 3.35Å; I485-I547 PolarHBondContact N-O 3.48Å; I485-I547 PolarHBondContact O-N 2.96Å |
| 548 | Y | 98.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.7 | 167.9 | -60.5 | -76.8 | 0 | 0 | 0 | 110.3 | L482 F483 H565 P574 G613 C616 S617 E620 | L482-Y548 HydrophobicContact CB-CD1 4.47Å; F483-Y548 WeakPolarHBondContact O-CA 3.45Å; Y548-H565 HydrophobicContact CE1-CB 4.28Å; Y548-H565 AromaticContact CE1-ND1 3.5Å; Y548-H565 WeakPolarHBondContact CE1-ND1 3.44Å; Y548-H565 AromaticContact CZ-ND1 3.57Å; Y548-H565 PolarHBondContact OH-ND1 2.78Å; Y548-P574 HydrophobicContact CD1-CB 3.65Å; Y548-P574 HydrophobicContact CD1-CG 3.7Å; Y548-P574 HydrophobicContact CD2-CG 3.93Å; Y548-P574 HydrophobicContact CE1-CB 3.5Å; Y548-P574 HydrophobicContact CE1-CG 3.58Å; Y548-P574 HydrophobicContact CE2-CG 3.83Å; Y548-P574 HydrophobicContact CG-CB 4.29Å; Y548-P574 HydrophobicContact CG-CG 3.87Å; Y548-G613 CarbonylContact O-C 3.13Å; Y548-G613 VanDerWaalsContact O-CA 3.28Å; Y548-G613 WeakPolarHBondContact O-CA 3.44Å; Y548-C616 HydrophobicContact CD2-CB 3.97Å; Y548-C616 HydrophobicContact CG-CB 4.45Å; Y548-S617 PolarHBondContact N-OG 3.43Å; Y548-S617 PolarHBondContact O-OG 3.08Å; Y548-E620 WeakPolarHBondContact CE2-OE2 3.24Å |
| 549 | D | 97.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 137 | -177 | -162.8 | -48.2 | 0 | 0 | 0 | 109.4 | F483 I485 E551 R553 | F483-D549 WeakPolarHBondContact CB-O 3.38Å; F483-D549 PolarHBondContact N-O 3.31Å; F483-D549 PolarHBondContact O-N 2.85Å; I485-D549 HydrophobicContact CD1-CB 3.46Å; I485-D549 VanDerWaalsContact CD1-CB 3.46Å; I485-D549 HydrophobicContact CG1-CB 3.87Å; D549-E551 PolarHBondContact O-N 2.89Å; D549-E551 WeakPolarHBondContact OD1-CB 3.34Å; D549-E551 PolarHBondContact OD1-N 3.48Å; D549-R553 VanDerWaalsContact CG-NH1 3.33Å; D549-R553 IonicContact OD1-NH1 3.34Å; D549-R553 IonicContact OD2-CZ 3.82Å; D549-R553 IonicContact OD2-NH1 3.98Å; D549-R553 PolarHBondContact OD2-NH1 2.77Å; D549-R553 IonicContact OD2-NH2 3.07Å; D549-R553 PolarHBondContact OD2-NH2 2.81Å |
| 550 | P | 97.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 48 Ų | 48 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -68.4 | -18.4 | 173.5 | 26.4 | -34.1 | 0 | 0 | 0 | 114.5 | A481 F483 M606 M609 L610 | A481-P550 WeakPolarHBondContact O-CA 3.43Å; F483-P550 WeakPolarHBondContact CD2-O 3.23Å; F483-P550 WeakPolarHBondContact CE2-O 3.49Å; P550-M606 HydrophobicContact CB-CE 4.45Å; P550-M606 HydrophobicContact CB-SD 3.61Å; P550-M606 HydrophobicContact CG-SD 3.98Å; P550-M609 HydrophobicContact CB-CB 4.02Å; P550-M609 HydrophobicContact CG-CB 4.38Å; P550-L610 HydrophobicContact CG-CD2 3.6Å; P550-L610 HydrophobicContact CG-CG 3.98Å |
| 551 | E | 97.4 | Very high | 95 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 56% | 0.556 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -85.5 | 115.2 | 172.7 | -173.1 | -170.5 | -154.7 | 0 | 0 | 110.6 | D549 R553 | D549-E551 PolarHBondContact O-N 2.89Å; D549-E551 WeakPolarHBondContact OD1-CB 3.34Å; D549-E551 PolarHBondContact OD1-N 3.48Å; E551-R553 HydrophobicContact CG-CG 4.06Å; E551-R553 PolarHBondContact O-N 2.85Å; E551-R553 VanDerWaalsContact O-N 3.07Å; E551-R553 WeakPolarHBondContact OE2-CD 3.27Å; E551-R553 IonicContact OE2-CZ 2.81Å; E551-R553 IonicContact OE2-NH1 2.87Å; E551-R553 PolarHBondContact OE2-NH1 3.29Å |
| 552 | N | 97.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 19% | 0.193 | 21% | 0.21 | C | C | . | . | trans | -74.2 | 100.2 | 175 | -176 | 22.1 | 0 | 0 | 0 | 111.9 | E475 F483 G554 Q561 S562 | E475-N552 PolarHBondContact OE1-ND2 2.79Å; F483-N552 HydrophobicContact CB-CB 4.36Å; F483-N552 HydrophobicContact CD1-CB 3.78Å; F483-N552 HydrophobicContact CD2-CB 3.79Å; F483-N552 HydrophobicContact CE1-CB 3.97Å; F483-N552 HydrophobicContact CE2-CB 3.98Å; F483-N552 HydrophobicContact CG-CB 3.69Å; F483-N552 HydrophobicContact CZ-CB 4.06Å; N552-G554 PolarHBondContact OD1-N 3.08Å; N552-Q561 PolarHBondContact ND2-O 3.5Å; N552-Q561 PolarHBondContact OD1-O 3.44Å; N552-S562 WeakPolarHBondContact ND2-CA 3.49Å; N552-S562 WeakPolarHBondContact ND2-CB 3.38Å; N552-S562 PolarHBondContact ND2-OG 3.34Å | ||
| 553 | R | 97 | Very high | 95.8 | Very high | 90 Ų | 90 | 42 Ų | 42 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | trans | -97.3 | 8.5 | 172.5 | -59.4 | -168.2 | -67.6 | -83.7 | 5.2 | 113.8 | I485 D487 D549 E551 | I485-R553 HydrophobicContact CD1-CB 4.48Å; I485-R553 HydrophobicContact CG2-CB 4.49Å; D487-R553 IonicContact OD1-CZ 2.69Å; D487-R553 IonicContact OD1-NE 3.01Å; D487-R553 PolarHBondContact OD1-NE 2.64Å; D487-R553 IonicContact OD2-CZ 3.85Å; D487-R553 IonicContact OD2-NE 2.77Å; D487-R553 IonicContact OD2-NH2 2.78Å; D487-R553 PolarHBondContact OD2-NH2 2.79Å; D549-R553 VanDerWaalsContact CG-NH1 3.33Å; D549-R553 IonicContact OD1-NH1 3.34Å; D549-R553 IonicContact OD2-CZ 3.82Å; D549-R553 IonicContact OD2-NH1 3.98Å; D549-R553 PolarHBondContact OD2-NH1 2.77Å; D549-R553 IonicContact OD2-NH2 3.07Å; D549-R553 PolarHBondContact OD2-NH2 2.81Å; E551-R553 HydrophobicContact CG-CG 4.06Å; E551-R553 PolarHBondContact O-N 2.85Å; E551-R553 VanDerWaalsContact O-N 3.07Å; E551-R553 WeakPolarHBondContact OE2-CD 3.27Å; E551-R553 IonicContact OE2-CZ 2.81Å; E551-R553 IonicContact OE2-NH1 2.87Å; E551-R553 PolarHBondContact OE2-NH1 3.29Å | ||
| 554 | G | 96.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | trans | 77.1 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I485 H486 N552 L560 Q561 | I485-G554 VanDerWaalsContact CA-O 3.31Å; I485-G554 WeakPolarHBondContact CA-O 3.49Å; I485-G554 WeakPolarHBondContact CB-O 3.39Å; H486-G554 PolarHBondContact N-O 3.11Å; N552-G554 PolarHBondContact OD1-N 3.08Å; G554-L560 WeakPolarHBondContact CA-O 3.4Å; G554-Q561 WeakPolarHBondContact CA-O 2.9Å | ||
| 555 | H | 97.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 9% | 0.093 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -125.9 | 96.2 | -179.1 | -167.1 | -64.7 | 0 | 0 | 0 | 110.9 | R484 H486 G557 L558 A559 L560 Y563 | R484-H555 PolarHBondContact O-CD2 2.72Å; H486-H555 HydrophobicContact CB-CB 4.43Å; H486-H555 AromaticContact ND1-CE1 3.74Å; H555-G557 PolarHBondContact O-N 3.27Å; H555-L558 WeakPolarHBondContact ND1-CB 3.39Å; H555-L558 WeakPolarHBondContact ND1-CG 3.27Å; H555-L558 PolarHBondContact ND1-N 3.42Å; H555-L558 PolarHBondContact O-N 2.81Å; H555-A559 PolarHBondContact O-N 2.69Å; H555-A559 VanDerWaalsContact O-N 3.11Å; H555-L560 HydrophobicContact CB-CB 4.44Å; H555-L560 PolarHBondContact N-O 3.47Å; H555-L560 PolarHBondContact O-N 3.48Å; H555-Y563 AromaticContact CD2-CD1 3.78Å |
| 556 | F | 95.1 | Very high | 96.9 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -55.3 | -53.8 | -172.9 | -168.7 | -97.7 | 0 | 0 | 0 | 112.9 | I427 H486 K488 P489 P516 Y519 M543 L558 A559 | I427-F556 HydrophobicContact CD1-CD1 4.16Å; I427-F556 HydrophobicContact CD1-CE1 3.8Å; H486-F556 WeakPolarHBondContact O-CB 3.42Å; H486-F556 PolarHBondContact O-N 2.79Å; K488-F556 HydrophobicContact CB-CD2 4.31Å; K488-F556 HydrophobicContact CB-CE2 4.5Å; K488-F556 HydrophobicContact CG-CD2 3.55Å; K488-F556 HydrophobicContact CG-CE2 3.82Å; K488-F556 HydrophobicContact CG-CG 4.48Å; P489-F556 HydrophobicContact CG-CD1 4.43Å; P489-F556 HydrophobicContact CG-CE1 3.98Å; P489-F556 HydrophobicContact CG-CZ 4.33Å; P516-F556 VanDerWaalsContact CD-CE2 3.46Å; P516-F556 HydrophobicContact CG-CD1 4.37Å; P516-F556 HydrophobicContact CG-CD2 3.67Å; P516-F556 HydrophobicContact CG-CE1 4.31Å; P516-F556 HydrophobicContact CG-CE2 3.63Å; P516-F556 HydrophobicContact CG-CG 4.06Å; P516-F556 HydrophobicContact CG-CZ 3.94Å; P516-F556 WeakPolarHBondContact CG-O 3.43Å; Y519-F556 AromaticContact CD2-CE1 3.95Å; Y519-F556 HydrophobicContact CD2-CE1 3.95Å; Y519-F556 AromaticContact CD2-CZ 3.65Å; Y519-F556 HydrophobicContact CD2-CZ 3.65Å; Y519-F556 AromaticContact CE2-CE1 3.95Å; Y519-F556 HydrophobicContact CE2-CE1 3.95Å; Y519-F556 AromaticContact CE2-CZ 3.47Å; Y519-F556 HydrophobicContact CE2-CZ 3.47Å; Y519-F556 VanDerWaalsContact CE2-CZ 3.47Å; M543-F556 HydrophobicContact CE-CE1 4.05Å; M543-F556 HydrophobicContact SD-CD1 3.72Å; M543-F556 HydrophobicContact SD-CE1 3.73Å; F556-L558 PolarHBondContact O-N 3.04Å; F556-L558 VanDerWaalsContact O-N 3.12Å; F556-A559 PolarHBondContact O-N 2.72Å |
| 557 | G | 92 | Very high | 97 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -61.5 | -24.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I427 H486 H555 | I427-G557 PolarHBondContact N-O 2.87Å; I427-G557 VanDerWaalsContact N-O 3.07Å; H486-G557 PolarHBondContact ND1-N 2.94Å; H486-G557 VanDerWaalsContact ND1-N 3.19Å; H555-G557 PolarHBondContact O-N 3.27Å |
| 558 | L | 93 | Very high | 97 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 10% | 0.099 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -98.6 | -4.1 | 178.4 | -70.1 | 173.5 | 0 | 0 | 0 | 112.5 | R424 I464 H555 F556 L560 Y563 | R424-L558 PolarHBondContact NE-O 2.98Å; R424-L558 PolarHBondContact NH2-O 3.03Å; I464-L558 HydrophobicContact CD1-CD2 4.24Å; H555-L558 WeakPolarHBondContact ND1-CB 3.39Å; H555-L558 WeakPolarHBondContact ND1-CG 3.27Å; H555-L558 PolarHBondContact ND1-N 3.42Å; H555-L558 PolarHBondContact O-N 2.81Å; F556-L558 PolarHBondContact O-N 3.04Å; F556-L558 VanDerWaalsContact O-N 3.12Å; L558-L560 VanDerWaalsContact C-N 3.3Å; L558-L560 HydrophobicContact CB-CB 4.45Å; L558-L560 HydrophobicContact CB-CD1 3.74Å; L558-L560 HydrophobicContact CB-CG 3.9Å; L558-L560 HydrophobicContact CD1-CD1 4.05Å; L558-L560 PolarHBondContact O-N 2.8Å; L558-Y563 HydrophobicContact CD1-CD1 3.97Å; L558-Y563 HydrophobicContact CD1-CD2 4.39Å; L558-Y563 HydrophobicContact CD1-CE1 3.71Å; L558-Y563 HydrophobicContact CD1-CE2 4.12Å; L558-Y563 HydrophobicContact CD1-CG 4.32Å |
| 559 | A | 95.4 | Very high | 97 | Very high | 20 Ų | 20 | 29.3 Ų | 29.3 | 17% | 0.165 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 45.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R424 P516 H555 F556 | R424-A559 WeakPolarHBondContact CD-O 3.49Å; R424-A559 HydrophobicContact CG-CB 3.93Å; R424-A559 VanDerWaalsContact CG-O 3.29Å; R424-A559 WeakPolarHBondContact CG-O 3.48Å; R424-A559 PolarHBondContact NE-O 3.03Å; R424-A559 WeakPolarHBondContact O-CB 3.46Å; P516-A559 HydrophobicContact CB-CB 3.77Å; P516-A559 HydrophobicContact CG-CB 4.06Å; H555-A559 PolarHBondContact O-N 2.69Å; H555-A559 VanDerWaalsContact O-N 3.11Å; F556-A559 PolarHBondContact O-N 2.72Å |
| 560 | L | 96.4 | Very high | 97 | Very high | 19 Ų | 19 | 28 Ų | 28 | 10% | 0.099 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -115.1 | 137.9 | -178.3 | -66.9 | 172.5 | 0 | 0 | 0 | 111.5 | I464 I468 G554 H555 L558 Y563 | I464-L560 HydrophobicContact CG2-CD1 4.24Å; I468-L560 HydrophobicContact CD1-CD1 3.78Å; I468-L560 HydrophobicContact CD1-CD2 3.55Å; I468-L560 HydrophobicContact CD1-CG 4.33Å; I468-L560 HydrophobicContact CG1-CD1 3.76Å; I468-L560 HydrophobicContact CG1-CD2 4.05Å; I468-L560 HydrophobicContact CG1-CG 4.5Å; G554-L560 WeakPolarHBondContact CA-O 3.4Å; H555-L560 HydrophobicContact CB-CB 4.44Å; H555-L560 PolarHBondContact N-O 3.47Å; H555-L560 PolarHBondContact O-N 3.48Å; L558-L560 VanDerWaalsContact C-N 3.3Å; L558-L560 HydrophobicContact CB-CB 4.45Å; L558-L560 HydrophobicContact CB-CD1 3.74Å; L558-L560 HydrophobicContact CB-CG 3.9Å; L558-L560 HydrophobicContact CD1-CD1 4.05Å; L558-L560 PolarHBondContact O-N 2.8Å; L560-Y563 HydrophobicContact CD1-CD2 3.55Å; L560-Y563 HydrophobicContact CD1-CE2 4.11Å; L560-Y563 HydrophobicContact CD1-CG 4.09Å |
| 561 | Q | 96.6 | Very high | 97 | Very high | 162 Ų | 162 | 31.3 Ų | 31.3 | 76% | 0.757 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -74.8 | -34.7 | 175.4 | -176.1 | 179.3 | 2.7 | 0 | 0 | 112.7 | N552 G554 | N552-Q561 PolarHBondContact ND2-O 3.5Å; N552-Q561 PolarHBondContact OD1-O 3.44Å; G554-Q561 WeakPolarHBondContact CA-O 2.9Å |
| 562 | S | 98 | Very high | 97.1 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -141.2 | 123.9 | -178.1 | -36.4 | 0 | 0 | 0 | 0 | 108.2 | E475 N552 | E475-S562 VanDerWaalsContact OE2-CB 3.31Å; E475-S562 WeakPolarHBondContact OE2-CB 3.49Å; E475-S562 PolarHBondContact OE2-OG 3.13Å; N552-S562 WeakPolarHBondContact ND2-CA 3.49Å; N552-S562 WeakPolarHBondContact ND2-CB 3.38Å; N552-S562 PolarHBondContact ND2-OG 3.34Å |
| 563 | Y | 98.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 6% | 0.059 | 12% | 0.122 | C | C | . | . | trans | -147.9 | 137.5 | -178.9 | -168.2 | -114 | 0 | 0 | 0 | 109.8 | I464 N467 I468 R484 H555 L558 L560 H565 | I464-Y563 HydrophobicContact CG1-CE2 4.41Å; I464-Y563 HydrophobicContact CG2-CE2 4.28Å; N467-Y563 HydrophobicContact CB-CD2 3.93Å; N467-Y563 HydrophobicContact CB-CE2 3.32Å; N467-Y563 PolarHBondContact ND2-OH 2.92Å; I468-Y563 HydrophobicContact CG1-CD2 4.1Å; R484-Y563 HydrophobicContact CB-CD1 3.85Å; R484-Y563 HydrophobicContact CB-CE1 4.33Å; R484-Y563 HydrophobicContact CG-CD1 3.99Å; R484-Y563 HydrophobicContact CG-CE1 4.18Å; R484-Y563 PolarHBondContact N-O 3.16Å; H555-Y563 AromaticContact CD2-CD1 3.78Å; L558-Y563 HydrophobicContact CD1-CD1 3.97Å; L558-Y563 HydrophobicContact CD1-CD2 4.39Å; L558-Y563 HydrophobicContact CD1-CE1 3.71Å; L558-Y563 HydrophobicContact CD1-CE2 4.12Å; L558-Y563 HydrophobicContact CD1-CG 4.32Å; L560-Y563 HydrophobicContact CD1-CD2 3.55Å; L560-Y563 HydrophobicContact CD1-CE2 4.11Å; L560-Y563 HydrophobicContact CD1-CG 4.09Å; Y563-H565 AromaticContact CE1-CD2 3.83Å; Y563-H565 AromaticContact CE1-NE2 3.88Å | ||
| 564 | A | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | trans | -150.6 | 141 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | N467 A471 F566 L578 | N467-A564 WeakPolarHBondContact CA-O 3.37Å; N467-A564 WeakPolarHBondContact CB-O 3.48Å; N467-A564 VanDerWaalsContact CG-O 3.26Å; N467-A564 PolarHBondContact OD1-O 2.91Å; A471-A564 HydrophobicContact CB-CB 3.75Å; A564-F566 PolarHBondContact O-N 2.84Å; A564-L578 HydrophobicContact CB-CD2 3.79Å | ||
| 565 | H | 98.8 | Very high | 97.3 | Very high | 23 Ų | 23 | 21.1 Ų | 21.1 | 11% | 0.106 | 10% | 0.103 | C | C | . | . | trans | -77.2 | 121.5 | 177.4 | -73.6 | 161.7 | 0 | 0 | 0 | 110.7 | Y548 Y563 R572 D575 L578 | Y548-H565 HydrophobicContact CE1-CB 4.28Å; Y548-H565 AromaticContact CE1-ND1 3.5Å; Y548-H565 WeakPolarHBondContact CE1-ND1 3.44Å; Y548-H565 AromaticContact CZ-ND1 3.57Å; Y548-H565 PolarHBondContact OH-ND1 2.78Å; Y563-H565 AromaticContact CE1-CD2 3.83Å; Y563-H565 AromaticContact CE1-NE2 3.88Å; H565-R572 PolarHBondContact CE1-NH1 3.02Å; H565-R572 VanDerWaalsContact CE1-NH1 3.33Å; H565-R572 PolarHBondContact ND1-NH1 2.98Å; H565-D575 VanDerWaalsContact C-CG 3.48Å; H565-D575 VanDerWaalsContact C-OD1 3.26Å; H565-D575 VanDerWaalsContact CB-OD2 3.29Å; H565-D575 WeakPolarHBondContact CB-OD2 3.34Å; H565-D575 WeakPolarHBondContact O-CA 3.48Å; H565-L578 VanDerWaalsContact O-CD2 3.24Å; H565-L578 WeakPolarHBondContact O-CD2 3.4Å | ||
| 566 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -124.2 | -28.1 | -178 | 167.3 | -106.4 | 0 | 0 | 0 | 113 | I299 M353 C355 F370 A466 N467 A470 A564 S568 D575 L578 H579 I582 | I299-F566 HydrophobicContact CB-CE1 4.32Å; I299-F566 HydrophobicContact CB-CZ 4.41Å; I299-F566 HydrophobicContact CG1-CD1 4.05Å; I299-F566 HydrophobicContact CG1-CE1 3.48Å; I299-F566 VanDerWaalsContact CG1-CE1 3.48Å; I299-F566 HydrophobicContact CG1-CZ 4.04Å; M353-F566 HydrophobicContact CB-CZ 4.43Å; M353-F566 HydrophobicContact CG-CE2 3.91Å; M353-F566 HydrophobicContact CG-CZ 3.76Å; C355-F566 HydrophobicContact CB-CE1 4.22Å; F370-F566 HydrophobicContact CD1-CE2 4.42Å; F370-F566 HydrophobicContact CD1-CZ 4.12Å; F370-F566 HydrophobicContact CE1-CE1 4.02Å; F370-F566 HydrophobicContact CE1-CE2 4.13Å; F370-F566 AromaticContact CE1-CZ 3.83Å; F370-F566 HydrophobicContact CE1-CZ 3.83Å; A466-F566 HydrophobicContact CB-CD1 4.19Å; N467-F566 WeakPolarHBondContact OD1-CB 3.38Å; N467-F566 PolarHBondContact OD1-N 3.42Å; A470-F566 HydrophobicContact CB-CB 3.75Å; A470-F566 HydrophobicContact CB-CD2 4.18Å; A470-F566 HydrophobicContact CB-CG 3.92Å; A564-F566 PolarHBondContact O-N 2.84Å; F566-S568 PolarHBondContact O-N 2.96Å; F566-D575 WeakPolarHBondContact CA-OD1 3.18Å; F566-D575 PolarHBondContact N-OD1 2.94Å; F566-D575 VanDerWaalsContact N-OD1 3.17Å; F566-L578 HydrophobicContact CB-CD2 3.81Å; F566-L578 HydrophobicContact CD2-CD2 4.47Å; F566-L578 HydrophobicContact CD2-CG 4.49Å; F566-H579 AromaticContact CD2-CD2 3.45Å; F566-H579 VanDerWaalsContact CD2-CD2 3.45Å; F566-H579 WeakPolarHBondContact CD2-CD2 3.46Å; F566-H579 AromaticContact CD2-NE2 3.51Å; F566-H579 AromaticContact CE2-CD2 3.4Å; F566-H579 WeakPolarHBondContact CE2-CD2 3.45Å; F566-H579 AromaticContact CE2-CE1 3.96Å; F566-H579 AromaticContact CE2-NE2 3.27Å; F566-H579 VanDerWaalsContact CE2-NE2 3.27Å; F566-H579 WeakPolarHBondContact CE2-NE2 3.5Å; F566-H579 AromaticContact CZ-NE2 3.84Å; F566-H579 PolarHBondContact O-NE2 2.97Å; F566-I582 HydrophobicContact CD2-CD1 3.63Å; F566-I582 HydrophobicContact CE2-CD1 3.61Å | ||
| 567 | T | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -90.4 | 6.8 | -161.4 | 59.7 | 0 | 0 | 0 | 0 | 115.2 | V297 I299 M463 A466 N467 D575 | V297-T567 HydrophobicContact CG1-CG2 4.46Å; I299-T567 HydrophobicContact CD1-CG2 3.93Å; I299-T567 HydrophobicContact CG1-CG2 4.43Å; M463-T567 HydrophobicContact CB-CG2 3.98Å; M463-T567 HydrophobicContact CG-CG2 4.22Å; M463-T567 VanDerWaalsContact SD-CB 3.52Å; M463-T567 HydrophobicContact SD-CG2 3.48Å; M463-T567 WeakPolarHBondContact SD-CG2 3.47Å; A466-T567 HydrophobicContact CB-CG2 3.84Å; N467-T567 WeakPolarHBondContact OD1-CG2 3.21Å; N467-T567 PolarHBondContact OD1-N 3.4Å; T567-D575 PolarHBondContact N-OD1 3.4Å |
| 568 | S | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | trans | -143.5 | 54.9 | -179.3 | -52.6 | 0 | 0 | 0 | 0 | 114.4 | D280 F566 I570 R571 R572 D575 | D280-S568 WeakPolarHBondContact OD2-CA 3.42Å; D280-S568 WeakPolarHBondContact OD2-CB 3.35Å; F566-S568 PolarHBondContact O-N 2.96Å; S568-I570 VanDerWaalsContact C-N 3.25Å; S568-I570 PolarHBondContact O-N 2.86Å; S568-R571 VanDerWaalsContact CB-NE 3.35Å; S568-R571 PolarHBondContact O-N 2.98Å; S568-R571 PolarHBondContact OG-NE 2.87Å; S568-R571 PolarHBondContact OG-NH2 2.95Å; S568-R572 PolarHBondContact O-N 3.2Å; S568-D575 PolarHBondContact N-OD1 2.87Å | ||
| 569 | P | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -14.8 | -176.7 | 34 | -40.1 | 0 | 0 | 0 | 114.5 | D280 I299 A300 V302 M332 R571 D575 L576 | D280-P569 WeakPolarHBondContact OD1-CD 3.48Å; I299-P569 HydrophobicContact CG2-CG 3.66Å; A300-P569 WeakPolarHBondContact O-CG 3.39Å; V302-P569 HydrophobicContact CB-CB 3.97Å; V302-P569 HydrophobicContact CB-CG 4.17Å; V302-P569 HydrophobicContact CG2-CB 3.9Å; V302-P569 HydrophobicContact CG2-CG 3.68Å; M332-P569 VanDerWaalsContact CE-O 3.23Å; M332-P569 WeakPolarHBondContact CE-O 3.33Å; P569-R571 VanDerWaalsContact C-N 3.31Å; P569-D575 HydrophobicContact CB-CB 4.01Å; P569-L576 HydrophobicContact CB-CB 4.4Å |
| 570 | I | 97.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -34.5 | 173.4 | -66.4 | 169 | 0 | 0 | 0 | 110.7 | D278 D280 A300 V302 M332 S338 C342 S568 | D278-I570 HydrophobicContact CB-CG2 4.21Å; D280-I570 WeakPolarHBondContact OD1-CB 3.22Å; D280-I570 WeakPolarHBondContact OD1-CD1 3.48Å; D280-I570 WeakPolarHBondContact OD1-CG1 3.4Å; D280-I570 PolarHBondContact OD1-N 2.89Å; A300-I570 HydrophobicContact CB-CD1 3.84Å; A300-I570 HydrophobicContact CB-CG1 4.1Å; V302-I570 HydrophobicContact CG2-CB 4.44Å; V302-I570 HydrophobicContact CG2-CG1 3.53Å; M332-I570 WeakPolarHBondContact CE-O 3.48Å; S338-I570 VanDerWaalsContact CB-CG2 3.42Å; C342-I570 HydrophobicContact CB-CD1 3.8Å; C342-I570 HydrophobicContact CB-CG1 3.81Å; S568-I570 VanDerWaalsContact C-N 3.25Å; S568-I570 PolarHBondContact O-N 2.86Å |
| 571 | R | 97.6 | Very high | 98.5 | Very high | 85 Ų | 85 | 16.5 Ų | 16.5 | 32% | 0.321 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -5.8 | -171.2 | 61.7 | -176.2 | -178.4 | 106.3 | 3 | 115.3 | D280 T321 S322 Y324 S568 P569 | D280-R571 IonicContact OD2-NE 2.75Å; T321-R571 CarbonylContact C-O 3.57Å; T321-R571 VanDerWaalsContact CA-O 3.23Å; T321-R571 WeakPolarHBondContact CA-O 3.29Å; T321-R571 PolarHBondContact OG1-O 3.3Å; T321-R571 VanDerWaalsContact OG1-O 3.1Å; S322-R571 PolarHBondContact N-O 3.45Å; S322-R571 WeakPolarHBondContact OG-CA 3.34Å; S322-R571 WeakPolarHBondContact OG-CB 3.46Å; Y324-R571 WeakPolarHBondContact OH-CD 3.44Å; S568-R571 VanDerWaalsContact CB-NE 3.35Å; S568-R571 PolarHBondContact O-N 2.98Å; S568-R571 PolarHBondContact OG-NE 2.87Å; S568-R571 PolarHBondContact OG-NH2 2.95Å; P569-R571 VanDerWaalsContact C-N 3.31Å |
| 572 | R | 98.6 | Very high | 98.6 | Very high | 32 Ų | 32 | 8.8 Ų | 8.8 | 12% | 0.121 | 4% | 0.038 | C | C | . | . | B | Isolated β-bridge | trans | -135 | 123.5 | 177.7 | -65.7 | -171.2 | -56 | -148.7 | -6.7 | 111.5 | H565 S568 D575 L576 | H565-R572 PolarHBondContact CE1-NH1 3.02Å; H565-R572 VanDerWaalsContact CE1-NH1 3.33Å; H565-R572 PolarHBondContact ND1-NH1 2.98Å; S568-R572 PolarHBondContact O-N 3.2Å; R572-D575 HydrophobicContact CB-CB 4.41Å; R572-D575 WeakPolarHBondContact CB-OD2 3.4Å; R572-D575 IonicContact CZ-OD1 3.99Å; R572-D575 IonicContact CZ-OD2 3.78Å; R572-D575 IonicContact NE-OD1 2.61Å; R572-D575 PolarHBondContact NE-OD1 2.91Å; R572-D575 IonicContact NE-OD2 2.72Å; R572-D575 PolarHBondContact NE-OD2 3.38Å; R572-D575 IonicContact NH2-OD1 3.72Å; R572-D575 PolarHBondContact NH2-OD1 3.1Å; R572-D575 IonicContact NH2-OD2 3.78Å; R572-D575 PolarHBondContact O-N 2.61Å; R572-L576 PolarHBondContact O-N 3.31Å |
| 573 | Y | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 1% | 0.012 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 178.5 | -164.6 | -99.7 | 0 | 0 | 0 | 113.6 | D313 A316 R317 G320 M332 D575 L576 T577 R580 L612 | D313-Y573 WeakPolarHBondContact OD1-CE2 3.5Å; D313-Y573 PolarHBondContact OD1-OH 3.02Å; A316-Y573 VanDerWaalsContact C-CD2 3.48Å; A316-Y573 HydrophobicContact CB-CD2 3.83Å; A316-Y573 HydrophobicContact CB-CE2 3.98Å; R317-Y573 HydrophobicContact CB-CD1 4.45Å; R317-Y573 HydrophobicContact CB-CD2 4.29Å; R317-Y573 HydrophobicContact CB-CE1 3.92Å; R317-Y573 HydrophobicContact CB-CE2 3.73Å; R317-Y573 HydrophobicContact CG-CD1 4.36Å; R317-Y573 HydrophobicContact CG-CE1 3.82Å; G320-Y573 VanDerWaalsContact O-CB 3.31Å; G320-Y573 WeakPolarHBondContact O-CB 3.41Å; G320-Y573 PolarHBondContact O-N 3Å; M332-Y573 PolarHBondContact SD-N 3.45Å; Y573-D575 VanDerWaalsContact C-N 3.34Å; Y573-D575 PolarHBondContact O-N 2.79Å; Y573-L576 HydrophobicContact CD2-CD2 4.07Å; Y573-L576 HydrophobicContact CE2-CD2 4.05Å; Y573-L576 WeakPolarHBondContact O-CB 3.49Å; Y573-L576 PolarHBondContact O-N 2.93Å; Y573-L576 VanDerWaalsContact O-N 3.12Å; Y573-T577 HydrophobicContact CD1-CG2 3.81Å; Y573-T577 HydrophobicContact CE1-CG2 3.55Å; Y573-T577 WeakPolarHBondContact O-CG2 3.34Å; Y573-T577 PolarHBondContact O-N 3.22Å; Y573-R580 PolarHBondContact OH-NH1 2.89Å; Y573-R580 VanDerWaalsContact OH-NH1 3.16Å; Y573-L612 HydrophobicContact CD1-CD2 4.14Å; Y573-L612 HydrophobicContact CE1-CD2 3.67Å |
| 574 | P | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 8.7 Ų | 8.7 | 3% | 0.032 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -54.7 | -45.3 | 173.6 | -30.9 | 39.4 | 0 | 0 | 0 | 113.6 | L482 Y548 L576 T577 L578 C616 | L482-P574 HydrophobicContact CD1-CB 4.01Å; L482-P574 HydrophobicContact CD1-CG 4.1Å; Y548-P574 HydrophobicContact CD1-CB 3.65Å; Y548-P574 HydrophobicContact CD1-CG 3.7Å; Y548-P574 HydrophobicContact CD2-CG 3.93Å; Y548-P574 HydrophobicContact CE1-CB 3.5Å; Y548-P574 HydrophobicContact CE1-CG 3.58Å; Y548-P574 HydrophobicContact CE2-CG 3.83Å; Y548-P574 HydrophobicContact CG-CB 4.29Å; Y548-P574 HydrophobicContact CG-CG 3.87Å; P574-L576 VanDerWaalsContact C-N 3.32Å; P574-L576 PolarHBondContact O-N 3.24Å; P574-T577 PolarHBondContact O-N 2.89Å; P574-T577 VanDerWaalsContact O-N 3.16Å; P574-T577 PolarHBondContact O-OG1 3.42Å; P574-L578 PolarHBondContact O-N 3.48Å; P574-C616 HydrophobicContact CG-CB 3.66Å |
| 575 | D | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 175.7 | -58.7 | -127.7 | 0 | 0 | 0 | 111.5 | H565 F566 T567 S568 P569 R572 Y573 T577 L578 H579 | H565-D575 VanDerWaalsContact C-CG 3.48Å; H565-D575 VanDerWaalsContact C-OD1 3.26Å; H565-D575 VanDerWaalsContact CB-OD2 3.29Å; H565-D575 WeakPolarHBondContact CB-OD2 3.34Å; H565-D575 WeakPolarHBondContact O-CA 3.48Å; F566-D575 WeakPolarHBondContact CA-OD1 3.18Å; F566-D575 PolarHBondContact N-OD1 2.94Å; F566-D575 VanDerWaalsContact N-OD1 3.17Å; T567-D575 PolarHBondContact N-OD1 3.4Å; S568-D575 PolarHBondContact N-OD1 2.87Å; P569-D575 HydrophobicContact CB-CB 4.01Å; R572-D575 HydrophobicContact CB-CB 4.41Å; R572-D575 WeakPolarHBondContact CB-OD2 3.4Å; R572-D575 IonicContact CZ-OD1 3.99Å; R572-D575 IonicContact CZ-OD2 3.78Å; R572-D575 IonicContact NE-OD1 2.61Å; R572-D575 PolarHBondContact NE-OD1 2.91Å; R572-D575 IonicContact NE-OD2 2.72Å; R572-D575 PolarHBondContact NE-OD2 3.38Å; R572-D575 IonicContact NH2-OD1 3.72Å; R572-D575 PolarHBondContact NH2-OD1 3.1Å; R572-D575 IonicContact NH2-OD2 3.78Å; R572-D575 PolarHBondContact O-N 2.61Å; Y573-D575 VanDerWaalsContact C-N 3.34Å; Y573-D575 PolarHBondContact O-N 2.79Å; D575-T577 VanDerWaalsContact C-N 3.34Å; D575-T577 PolarHBondContact O-N 3.21Å; D575-L578 PolarHBondContact O-N 3.09Å; D575-L578 VanDerWaalsContact O-N 3.15Å; D575-H579 PolarHBondContact O-CD2 3.29Å; D575-H579 PolarHBondContact O-N 3.17Å |
| 576 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 175.5 | -178.4 | 58 | 0 | 0 | 0 | 111.8 | V302 V306 P569 R572 Y573 P574 L578 H579 R580 | V302-L576 HydrophobicContact CB-CD1 3.91Å; V302-L576 HydrophobicContact CG1-CD1 3.65Å; V302-L576 HydrophobicContact CG1-CD2 4.35Å; V306-L576 HydrophobicContact CB-CD2 4.15Å; V306-L576 HydrophobicContact CG1-CD2 3.87Å; P569-L576 HydrophobicContact CB-CB 4.4Å; R572-L576 PolarHBondContact O-N 3.31Å; Y573-L576 HydrophobicContact CD2-CD2 4.07Å; Y573-L576 HydrophobicContact CE2-CD2 4.05Å; Y573-L576 WeakPolarHBondContact O-CB 3.49Å; Y573-L576 PolarHBondContact O-N 2.93Å; Y573-L576 VanDerWaalsContact O-N 3.12Å; P574-L576 VanDerWaalsContact C-N 3.32Å; P574-L576 PolarHBondContact O-N 3.24Å; L576-L578 VanDerWaalsContact C-N 3.32Å; L576-L578 PolarHBondContact O-N 3.43Å; L576-H579 PolarHBondContact O-N 3.28Å; L576-R580 VanDerWaalsContact O-CG 3.32Å; L576-R580 WeakPolarHBondContact O-CG 3.48Å; L576-R580 PolarHBondContact O-N 3.42Å |
| 577 | T | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.006 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -65.8 | -35.4 | 174.8 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | Y573 P574 D575 R580 A581 Y604 L612 | Y573-T577 HydrophobicContact CD1-CG2 3.81Å; Y573-T577 HydrophobicContact CE1-CG2 3.55Å; Y573-T577 WeakPolarHBondContact O-CG2 3.34Å; Y573-T577 PolarHBondContact O-N 3.22Å; P574-T577 PolarHBondContact O-N 2.89Å; P574-T577 VanDerWaalsContact O-N 3.16Å; P574-T577 PolarHBondContact O-OG1 3.42Å; D575-T577 VanDerWaalsContact C-N 3.34Å; D575-T577 PolarHBondContact O-N 3.21Å; T577-R580 WeakPolarHBondContact O-CB 3.38Å; T577-R580 PolarHBondContact O-N 3.37Å; T577-A581 PolarHBondContact O-N 2.84Å; T577-Y604 HydrophobicContact CG2-CE2 4.41Å; T577-L612 HydrophobicContact CG2-CD1 4.27Å |
| 578 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -70.1 | -38.3 | 178.4 | -173.1 | 57 | 0 | 0 | 0 | 111.9 | A470 V474 A481 A564 H565 F566 P574 D575 L576 R580 A581 I582 | A470-L578 HydrophobicContact CB-CD2 3.87Å; A470-L578 HydrophobicContact CB-CG 4.45Å; V474-L578 HydrophobicContact CB-CD1 4.47Å; V474-L578 HydrophobicContact CG1-CD1 3.61Å; V474-L578 HydrophobicContact CG2-CD1 4.08Å; A481-L578 HydrophobicContact CB-CD1 4.15Å; A564-L578 HydrophobicContact CB-CD2 3.79Å; H565-L578 VanDerWaalsContact O-CD2 3.24Å; H565-L578 WeakPolarHBondContact O-CD2 3.4Å; F566-L578 HydrophobicContact CB-CD2 3.81Å; F566-L578 HydrophobicContact CD2-CD2 4.47Å; F566-L578 HydrophobicContact CD2-CG 4.49Å; P574-L578 PolarHBondContact O-N 3.48Å; D575-L578 PolarHBondContact O-N 3.09Å; D575-L578 VanDerWaalsContact O-N 3.15Å; L576-L578 VanDerWaalsContact C-N 3.32Å; L576-L578 PolarHBondContact O-N 3.43Å; L578-R580 VanDerWaalsContact C-N 3.29Å; L578-R580 PolarHBondContact O-N 3.41Å; L578-A581 PolarHBondContact O-N 2.87Å; L578-I582 HydrophobicContact CD1-CD1 4.42Å; L578-I582 HydrophobicContact CG-CD1 4.07Å; L578-I582 VanDerWaalsContact O-CG1 3.28Å; L578-I582 WeakPolarHBondContact O-CG1 3.42Å; L578-I582 PolarHBondContact O-N 2.87Å |
| 579 | H | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.8 | -43.6 | 171 | -83.1 | -133.1 | 0 | 0 | 0 | 111.5 | A300 F566 D575 L576 I582 K583 | A300-H579 PolarHBondContact O-CE1 3.43Å; F566-H579 AromaticContact CD2-CD2 3.45Å; F566-H579 VanDerWaalsContact CD2-CD2 3.45Å; F566-H579 WeakPolarHBondContact CD2-CD2 3.46Å; F566-H579 AromaticContact CD2-NE2 3.51Å; F566-H579 AromaticContact CE2-CD2 3.4Å; F566-H579 WeakPolarHBondContact CE2-CD2 3.45Å; F566-H579 AromaticContact CE2-CE1 3.96Å; F566-H579 AromaticContact CE2-NE2 3.27Å; F566-H579 VanDerWaalsContact CE2-NE2 3.27Å; F566-H579 WeakPolarHBondContact CE2-NE2 3.5Å; F566-H579 AromaticContact CZ-NE2 3.84Å; F566-H579 PolarHBondContact O-NE2 2.97Å; D575-H579 PolarHBondContact O-CD2 3.29Å; D575-H579 PolarHBondContact O-N 3.17Å; L576-H579 PolarHBondContact O-N 3.28Å; H579-I582 PolarHBondContact O-N 3.16Å; H579-K583 WeakPolarHBondContact O-CG 3.45Å; H579-K583 PolarHBondContact O-N 3Å |
| 580 | R | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 177.9 | -67.1 | 168.9 | 175.2 | 162.5 | 5.9 | 112 | V306 D313 Y573 L576 T577 L578 K583 Y584 G600 G601 Y602 Y604 | V306-R580 PolarHBondContact O-NH2 3.43Å; D313-R580 IonicContact OD1-CZ 3.6Å; D313-R580 IonicContact OD1-NH1 3.72Å; D313-R580 PolarHBondContact OD1-NH1 3.34Å; D313-R580 IonicContact OD1-NH2 3.84Å; D313-R580 PolarHBondContact OD1-NH2 3.44Å; Y573-R580 PolarHBondContact OH-NH1 2.89Å; Y573-R580 VanDerWaalsContact OH-NH1 3.16Å; L576-R580 VanDerWaalsContact O-CG 3.32Å; L576-R580 WeakPolarHBondContact O-CG 3.48Å; L576-R580 PolarHBondContact O-N 3.42Å; T577-R580 WeakPolarHBondContact O-CB 3.38Å; T577-R580 PolarHBondContact O-N 3.37Å; L578-R580 VanDerWaalsContact C-N 3.29Å; L578-R580 PolarHBondContact O-N 3.41Å; R580-K583 PolarHBondContact O-N 3.31Å; R580-Y584 WeakPolarHBondContact O-CB 3.48Å; R580-Y584 PolarHBondContact O-N 2.97Å; R580-G600 WeakPolarHBondContact CG-O 3.23Å; R580-G601 VanDerWaalsContact O-CA 3.24Å; R580-G601 WeakPolarHBondContact O-CA 3.28Å; R580-Y602 CarbonylContact C-O 3.59Å; R580-Y602 PolarHBondContact O-N 2.9Å; R580-Y604 HydrophobicContact CB-CE2 4.14Å; R580-Y604 WeakPolarHBondContact CD-OH 3.35Å; R580-Y604 PolarHBondContact NH1-OH 3.37Å |
| 581 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V474 E479 T577 L578 K583 Y584 L585 | V474-A581 HydrophobicContact CG1-CB 4.33Å; E479-A581 HydrophobicContact CG-CB 4.08Å; T577-A581 PolarHBondContact O-N 2.84Å; L578-A581 PolarHBondContact O-N 2.87Å; A581-K583 PolarHBondContact O-N 2.81Å; A581-Y584 PolarHBondContact O-N 3.15Å; A581-L585 WeakPolarHBondContact O-CG 3.17Å; A581-L585 PolarHBondContact O-N 3.39Å |
| 582 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 177.7 | -69.9 | 166.3 | 0 | 0 | 0 | 110.9 | M353 F370 A470 F473 V474 F566 L578 H579 Y584 L585 L586 | M353-I582 HydrophobicContact SD-CG2 4.28Å; F370-I582 HydrophobicContact CB-CG2 3.68Å; F370-I582 HydrophobicContact CD1-CD1 4.15Å; F370-I582 HydrophobicContact CD1-CG2 4.08Å; F370-I582 HydrophobicContact CE1-CD1 4.02Å; F370-I582 HydrophobicContact CG-CG2 3.85Å; F370-I582 HydrophobicContact CZ-CD1 4.41Å; A470-I582 HydrophobicContact CB-CD1 4.03Å; F473-I582 HydrophobicContact CD1-CG1 3.98Å; F473-I582 HydrophobicContact CD1-CG2 4.41Å; F473-I582 HydrophobicContact CE1-CB 4.41Å; F473-I582 HydrophobicContact CE1-CG1 4.35Å; F473-I582 HydrophobicContact CE1-CG2 4.1Å; V474-I582 HydrophobicContact CG1-CG1 4.37Å; F566-I582 HydrophobicContact CD2-CD1 3.63Å; F566-I582 HydrophobicContact CE2-CD1 3.61Å; L578-I582 HydrophobicContact CD1-CD1 4.42Å; L578-I582 HydrophobicContact CG-CD1 4.07Å; L578-I582 VanDerWaalsContact O-CG1 3.28Å; L578-I582 WeakPolarHBondContact O-CG1 3.42Å; L578-I582 PolarHBondContact O-N 2.87Å; H579-I582 PolarHBondContact O-N 3.16Å; I582-Y584 VanDerWaalsContact C-N 3.34Å; I582-Y584 PolarHBondContact O-N 2.78Å; I582-L585 PolarHBondContact O-N 3.32Å; I582-L586 HydrophobicContact CG2-CD1 3.98Å; I582-L586 HydrophobicContact CG2-CG 4.33Å; I582-L586 VanDerWaalsContact O-CG 3.31Å; I582-L586 WeakPolarHBondContact O-CG 3.3Å; I582-L586 PolarHBondContact O-N 2.77Å |
| 583 | K | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 176.6 | -75.6 | -174 | -177.5 | -153.4 | 0 | 112.7 | D301 S303 M353 E372 H579 R580 A581 L586 A587 T599 G601 | D301-K583 WeakPolarHBondContact OD1-CE 3.49Å; D301-K583 IonicContact OD1-NZ 2.84Å; D301-K583 PolarHBondContact OD1-NZ 2.99Å; D301-K583 IonicContact OD2-NZ 2.78Å; D301-K583 PolarHBondContact OD2-NZ 3.4Å; S303-K583 WeakPolarHBondContact OG-CD 3.43Å; S303-K583 WeakPolarHBondContact OG-CE 3.22Å; S303-K583 PolarHBondContact OG-NZ 2.74Å; M353-K583 HydrophobicContact CE-CD 3.92Å; M353-K583 HydrophobicContact CE-CG 3.29Å; E372-K583 WeakPolarHBondContact OE1-CD 3.32Å; E372-K583 WeakPolarHBondContact OE1-CE 3.28Å; E372-K583 IonicContact OE1-NZ 3.43Å; E372-K583 PolarHBondContact OE1-NZ 3.26Å; H579-K583 WeakPolarHBondContact O-CG 3.45Å; H579-K583 PolarHBondContact O-N 3Å; R580-K583 PolarHBondContact O-N 3.31Å; A581-K583 PolarHBondContact O-N 2.81Å; K583-L586 PolarHBondContact O-N 2.82Å; K583-A587 PolarHBondContact O-N 2.93Å; K583-T599 PolarHBondContact NZ-O 2.99Å; K583-G601 VanDerWaalsContact CB-CA 3.44Å |
| 584 | Y | 98.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 175.5 | 161.6 | -109.1 | 0 | 0 | 0 | 111.3 | E479 R580 A581 I582 A587 K588 G594 H603 | E479-Y584 WeakPolarHBondContact OE1-CD1 3.29Å; E479-Y584 WeakPolarHBondContact OE1-CE1 3.49Å; E479-Y584 WeakPolarHBondContact OE2-CE1 3.44Å; R580-Y584 WeakPolarHBondContact O-CB 3.48Å; R580-Y584 PolarHBondContact O-N 2.97Å; A581-Y584 PolarHBondContact O-N 3.15Å; I582-Y584 VanDerWaalsContact C-N 3.34Å; I582-Y584 PolarHBondContact O-N 2.78Å; Y584-A587 PolarHBondContact O-N 2.85Å; Y584-K588 HydrophobicContact CE1-CD 4.25Å; Y584-K588 HydrophobicContact CE2-CD 4.46Å; Y584-K588 WeakPolarHBondContact O-CB 3.39Å; Y584-K588 PolarHBondContact O-N 3.16Å; Y584-K588 PolarHBondContact OH-NZ 3.31Å; Y584-G594 WeakPolarHBondContact CE2-O 3.36Å; Y584-H603 HydrophobicContact CD1-CB 3.88Å; Y584-H603 HydrophobicContact CD2-CB 4.01Å; Y584-H603 HydrophobicContact CE1-CB 3.72Å; Y584-H603 AromaticContact CE1-CG 3.85Å; Y584-H603 AromaticContact CE1-ND1 3.59Å; Y584-H603 HydrophobicContact CE2-CB 3.88Å; Y584-H603 HydrophobicContact CG-CB 4.01Å; Y584-H603 AromaticContact CZ-CG 3.9Å |
| 585 | L | 98.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -43 | 178.2 | -69.9 | 177.8 | 0 | 0 | 0 | 112.5 | F473 V474 A477 E479 A581 I582 A587 K588 E589 | F473-L585 HydrophobicContact CD1-CD1 3.88Å; F473-L585 HydrophobicContact CE1-CB 3.63Å; F473-L585 HydrophobicContact CE1-CD1 3.68Å; F473-L585 HydrophobicContact CE1-CG 4.32Å; F473-L585 HydrophobicContact CZ-CB 3.94Å; F473-L585 HydrophobicContact CZ-CD1 4.43Å; V474-L585 HydrophobicContact CG1-CD1 4.12Å; A477-L585 HydrophobicContact CB-CD1 3.63Å; A477-L585 HydrophobicContact CB-CD2 3.7Å; A477-L585 HydrophobicContact CB-CG 4.31Å; E479-L585 HydrophobicContact CB-CD1 3.87Å; E479-L585 HydrophobicContact CB-CD2 4.12Å; E479-L585 HydrophobicContact CB-CG 4.31Å; E479-L585 HydrophobicContact CG-CD1 4.06Å; E479-L585 HydrophobicContact CG-CD2 4.17Å; E479-L585 HydrophobicContact CG-CG 4.13Å; A581-L585 WeakPolarHBondContact O-CG 3.17Å; A581-L585 PolarHBondContact O-N 3.39Å; I582-L585 PolarHBondContact O-N 3.32Å; L585-A587 PolarHBondContact O-N 3.22Å; L585-K588 WeakPolarHBondContact O-CB 3.33Å; L585-K588 PolarHBondContact O-N 3.34Å; L585-E589 WeakPolarHBondContact O-CG 3.2Å; L585-E589 PolarHBondContact O-N 3.12Å |
| 586 | L | 98.4 | Very high | 97.7 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.2 | -70.2 | 173.9 | 0 | 0 | 0 | 111.9 | F370 F473 I582 K583 E589 Q590 | F370-L586 HydrophobicContact CB-CD1 4.02Å; F370-L586 HydrophobicContact CB-CD2 4.33Å; F370-L586 WeakPolarHBondContact O-CD2 3.43Å; F473-L586 HydrophobicContact CZ-CD2 4.05Å; F473-L586 HydrophobicContact CZ-CG 4.39Å; I582-L586 HydrophobicContact CG2-CD1 3.98Å; I582-L586 HydrophobicContact CG2-CG 4.33Å; I582-L586 VanDerWaalsContact O-CG 3.31Å; I582-L586 WeakPolarHBondContact O-CG 3.3Å; I582-L586 PolarHBondContact O-N 2.77Å; K583-L586 PolarHBondContact O-N 2.82Å; L586-E589 PolarHBondContact O-N 3.18Å; L586-Q590 PolarHBondContact O-N 3.41Å |
| 587 | A | 98.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K583 Y584 L585 E589 Q590 G591 H592 T597 | K583-A587 PolarHBondContact O-N 2.93Å; Y584-A587 PolarHBondContact O-N 2.85Å; L585-A587 PolarHBondContact O-N 3.22Å; A587-E589 VanDerWaalsContact C-N 3.32Å; A587-E589 PolarHBondContact O-N 3.03Å; A587-Q590 CarbonylContact O-C 3.57Å; A587-Q590 WeakPolarHBondContact O-CA 3.26Å; A587-Q590 WeakPolarHBondContact O-CB 3.27Å; A587-Q590 PolarHBondContact O-N 3.41Å; A587-G591 PolarHBondContact O-N 2.89Å; A587-H592 HydrophobicContact CB-CB 3.77Å; A587-H592 WeakPolarHBondContact O-CB 3.43Å; A587-H592 PolarHBondContact O-N 3.19Å; A587-T597 HydrophobicContact CB-CG2 3.51Å |
| 588 | K | 97.6 | Very high | 97.5 | Very high | 108 Ų | 108 | 58.1 Ų | 58.1 | 47% | 0.47 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 176.8 | -172.6 | 179.5 | -176.1 | 171.4 | 0 | 112.1 | Y584 L585 Q590 G591 | Y584-K588 HydrophobicContact CE1-CD 4.25Å; Y584-K588 HydrophobicContact CE2-CD 4.46Å; Y584-K588 WeakPolarHBondContact O-CB 3.39Å; Y584-K588 PolarHBondContact O-N 3.16Å; Y584-K588 PolarHBondContact OH-NZ 3.31Å; L585-K588 WeakPolarHBondContact O-CB 3.33Å; L585-K588 PolarHBondContact O-N 3.34Å; K588-Q590 PolarHBondContact O-N 3.14Å; K588-G591 PolarHBondContact O-N 3.15Å |
| 589 | E | 97 | Very high | 97.5 | Very high | 129 Ų | 129 | 59.7 Ų | 59.7 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.7 | -27.1 | 172.6 | -74 | 179.2 | 172 | 0 | 0 | 112.6 | L585 L586 A587 G591 | L585-E589 WeakPolarHBondContact O-CG 3.2Å; L585-E589 PolarHBondContact O-N 3.12Å; L586-E589 PolarHBondContact O-N 3.18Å; A587-E589 VanDerWaalsContact C-N 3.32Å; A587-E589 PolarHBondContact O-N 3.03Å; E589-G591 VanDerWaalsContact C-N 3.31Å |
| 590 | Q | 96 | Very high | 97.4 | Very high | 169 Ų | 169 | 59.9 Ų | 59.9 | 79% | 0.79 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 9.7 | 173.4 | -56.3 | -57.6 | -36.8 | 0 | 0 | 113.5 | L586 A587 K588 | L586-Q590 PolarHBondContact O-N 3.41Å; A587-Q590 CarbonylContact O-C 3.57Å; A587-Q590 WeakPolarHBondContact O-CA 3.26Å; A587-Q590 WeakPolarHBondContact O-CB 3.27Å; A587-Q590 PolarHBondContact O-N 3.41Å; K588-Q590 PolarHBondContact O-N 3.14Å |
| 591 | G | 96.5 | Very high | 97.4 | Very high | 56 Ų | 56 | 60 Ų | 60 | 58% | 0.577 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 13.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | A587 K588 E589 Q593 | A587-G591 PolarHBondContact O-N 2.89Å; K588-G591 PolarHBondContact O-N 3.15Å; E589-G591 VanDerWaalsContact C-N 3.31Å; G591-Q593 PolarHBondContact O-N 2.94Å |
| 592 | H | 96.1 | Very high | 97.4 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | trans | -58.4 | 133.3 | 173.4 | 178.3 | 78.4 | 0 | 0 | 0 | 111 | A587 T596 | A587-H592 HydrophobicContact CB-CB 3.77Å; A587-H592 WeakPolarHBondContact O-CB 3.43Å; A587-H592 PolarHBondContact O-N 3.19Å; H592-T596 PolarHBondContact NE2-O 2.93Å | ||
| 593 | Q | 93.5 | Very high | 97.4 | Very high | 185 Ų | 185 | 65.1 Ų | 65.1 | 86% | 0.864 | 34% | 0.343 | S | S | * | . | trans | -109.1 | 115.4 | 174.8 | -63.5 | -173.2 | -18.8 | 0 | 0 | 108.8 | G591 | G591-Q593 PolarHBondContact O-N 2.94Š| ||
| 594 | G | 95.6 | Very high | 97.4 | Very high | 37 Ų | 37 | 65.3 Ų | 65.3 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 147.6 | 161.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y584 | Y584-G594 WeakPolarHBondContact CE2-O 3.36Š|
| 595 | N | 97.1 | Very high | 97.3 | Very high | 95 Ų | 95 | 66.8 Ų | 66.8 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -92.3 | 2.4 | 178.3 | -70.6 | -11.9 | 0 | 0 | 0 | 112.8 | Y602 H603 | N595-Y602 CarbonylContact O-C 3.5Å; N595-Y602 WeakPolarHBondContact O-CA 3.38Å; N595-H603 HydrophobicContact CB-CB 4.07Å; N595-H603 PolarHBondContact O-N 3.46Å |
| 596 | T | 97.8 | Very high | 97.3 | Very high | 80 Ų | 80 | 70.9 Ų | 70.9 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -138.3 | 142 | -175 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | H592 G601 Y602 | H592-T596 PolarHBondContact NE2-O 2.93Å; T596-G601 CarbonylContact C-O 3.52Å; T596-G601 VanDerWaalsContact CA-O 3.27Å; T596-G601 WeakPolarHBondContact CA-O 3.45Å; T596-Y602 HydrophobicContact CG2-CD2 3.71Å; T596-Y602 HydrophobicContact CG2-CE2 3.87Å |
| 597 | T | 97.7 | Very high | 97.1 | Very high | 16 Ų | 16 | 75.1 Ų | 75.1 | 10% | 0.098 | 40% | 0.395 | C | S | . | . | trans | -107.8 | 154 | 172.8 | 82.6 | 0 | 0 | 0 | 0 | 111.8 | A587 T599 G600 G601 | A587-T597 HydrophobicContact CB-CG2 3.51Å; T597-T599 PolarHBondContact O-N 2.91Å; T597-T599 VanDerWaalsContact O-N 3.14Å; T597-T599 PolarHBondContact OG1-OG1 3.5Å; T597-G600 PolarHBondContact O-N 3.13Å; T597-G600 PolarHBondContact OG1-N 2.9Å; T597-G601 PolarHBondContact N-O 2.93Å; T597-G601 VanDerWaalsContact OG1-CA 3.27Å; T597-G601 WeakPolarHBondContact OG1-CA 3.37Å; T597-G601 PolarHBondContact OG1-N 3.06Å | ||
| 598 | E | 96.3 | Very high | 97 | Very high | 181 Ų | 181 | 76.7 Ų | 76.7 | 85% | 0.846 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.2 | 179.4 | -63 | 179.6 | 176.5 | 0 | 0 | 113 | R307 | R307-E598 VanDerWaalsContact CZ-O 3.29Å; R307-E598 PolarHBondContact NH1-O 2.95Å; R307-E598 PolarHBondContact NH2-O 2.91Å; R307-E598 VanDerWaalsContact NH2-O 3.08Å |
| 599 | T | 97.9 | Very high | 97 | Very high | 36 Ų | 36 | 71.6 Ų | 71.6 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 8.9 | 180 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | Y304 E372 K583 T597 | Y304-T599 WeakPolarHBondContact CA-O 3.47Å; E372-T599 VanDerWaalsContact CD-OG1 3.25Å; E372-T599 WeakPolarHBondContact OE1-CB 3.25Å; E372-T599 PolarHBondContact OE1-OG1 3.21Å; E372-T599 WeakPolarHBondContact OE2-CB 3.33Å; E372-T599 WeakPolarHBondContact OE2-CG2 3.09Å; E372-T599 PolarHBondContact OE2-OG1 2.96Å; K583-T599 PolarHBondContact NZ-O 2.99Å; T597-T599 PolarHBondContact O-N 2.91Å; T597-T599 VanDerWaalsContact O-N 3.14Å; T597-T599 PolarHBondContact OG1-OG1 3.5Å |
| 600 | G | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 101.8 | 10.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116 | R307 R580 T597 | R307-G600 VanDerWaalsContact CD-CA 3.44Å; R580-G600 WeakPolarHBondContact CG-O 3.23Å; T597-G600 PolarHBondContact O-N 3.13Å; T597-G600 PolarHBondContact OG1-N 2.9Å |
| 601 | G | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | trans | -64.5 | 147.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R580 K583 T596 T597 | R580-G601 VanDerWaalsContact O-CA 3.24Å; R580-G601 WeakPolarHBondContact O-CA 3.28Å; K583-G601 VanDerWaalsContact CB-CA 3.44Å; T596-G601 CarbonylContact C-O 3.52Å; T596-G601 VanDerWaalsContact CA-O 3.27Å; T596-G601 WeakPolarHBondContact CA-O 3.45Å; T597-G601 PolarHBondContact N-O 2.93Å; T597-G601 VanDerWaalsContact OG1-CA 3.27Å; T597-G601 WeakPolarHBondContact OG1-CA 3.37Å; T597-G601 PolarHBondContact OG1-N 3.06Å | ||
| 602 | Y | 98.7 | Very high | 97 | Very high | 61 Ų | 61 | 63.5 Ų | 63.5 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -152.5 | 131.4 | -176.6 | -166.2 | -92.1 | 0 | 0 | 0 | 110.8 | P308 R580 N595 T596 Y604 | P308-Y602 HydrophobicContact CB-CD2 3.95Å; P308-Y602 HydrophobicContact CB-CE2 4.07Å; P308-Y602 HydrophobicContact CB-CG 4.36Å; P308-Y602 HydrophobicContact CG-CD1 4.47Å; P308-Y602 HydrophobicContact CG-CD2 3.88Å; P308-Y602 HydrophobicContact CG-CE2 4.48Å; P308-Y602 HydrophobicContact CG-CG 3.9Å; R580-Y602 CarbonylContact C-O 3.59Å; R580-Y602 PolarHBondContact O-N 2.9Å; N595-Y602 CarbonylContact O-C 3.5Å; N595-Y602 WeakPolarHBondContact O-CA 3.38Å; T596-Y602 HydrophobicContact CG2-CD2 3.71Å; T596-Y602 HydrophobicContact CG2-CE2 3.87Å; Y602-Y604 AromaticContact CD1-CD1 3.84Å; Y602-Y604 HydrophobicContact CD1-CD1 3.84Å; Y602-Y604 AromaticContact CD1-CD2 3.89Å; Y602-Y604 HydrophobicContact CD1-CD2 3.89Å; Y602-Y604 AromaticContact CD1-CE1 3.7Å; Y602-Y604 HydrophobicContact CD1-CE1 3.7Å; Y602-Y604 AromaticContact CD1-CE2 3.74Å; Y602-Y604 HydrophobicContact CD1-CE2 3.74Å; Y602-Y604 AromaticContact CD1-CG 3.93Å; Y602-Y604 HydrophobicContact CD1-CG 3.93Å; Y602-Y604 AromaticContact CD1-CZ 3.62Å; Y602-Y604 AromaticContact CE1-CD1 3.83Å; Y602-Y604 HydrophobicContact CE1-CD1 3.83Å; Y602-Y604 AromaticContact CE1-CE1 3.87Å; Y602-Y604 HydrophobicContact CE1-CE1 3.87Å; Y602-Y604 HydrophobicContact CE1-CG 4.21Å; Y602-Y604 HydrophobicContact CG-CE2 4.48Å |
| 603 | H | 98.5 | Very high | 97 | Very high | 47 Ų | 47 | 60 Ų | 60 | 22% | 0.218 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 121.9 | 170.7 | 175.1 | 60.4 | 0 | 0 | 0 | 110.1 | E479 Y584 N595 | E479-H603 IonicContact OE1-CE1 3.25Å; E479-H603 IonicContact OE1-CG 3.28Å; E479-H603 IonicContact OE1-ND1 2.68Å; E479-H603 PolarHBondContact OE1-ND1 3.39Å; E479-H603 IonicContact OE2-CE1 3.78Å; E479-H603 IonicContact OE2-ND1 3.41Å; E479-H603 PolarHBondContact OE2-ND1 3.03Å; Y584-H603 HydrophobicContact CD1-CB 3.88Å; Y584-H603 HydrophobicContact CD2-CB 4.01Å; Y584-H603 HydrophobicContact CE1-CB 3.72Å; Y584-H603 AromaticContact CE1-CG 3.85Å; Y584-H603 AromaticContact CE1-ND1 3.59Å; Y584-H603 HydrophobicContact CE2-CB 3.88Å; Y584-H603 HydrophobicContact CG-CB 4.01Å; Y584-H603 AromaticContact CZ-CG 3.9Å; N595-H603 HydrophobicContact CB-CB 4.07Å; N595-H603 PolarHBondContact O-N 3.46Å |
| 604 | Y | 98.3 | Very high | 97 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 149.7 | 174.2 | -65.9 | -89.4 | 0 | 0 | 0 | 111.1 | P480 T577 R580 Y602 E608 M609 L612 | P480-Y604 WeakPolarHBondContact CB-O 3.4Å; P480-Y604 VanDerWaalsContact CG-O 3.32Å; P480-Y604 WeakPolarHBondContact CG-O 3.46Å; T577-Y604 HydrophobicContact CG2-CE2 4.41Å; R580-Y604 HydrophobicContact CB-CE2 4.14Å; R580-Y604 WeakPolarHBondContact CD-OH 3.35Å; R580-Y604 PolarHBondContact NH1-OH 3.37Å; Y602-Y604 AromaticContact CD1-CD1 3.84Å; Y602-Y604 HydrophobicContact CD1-CD1 3.84Å; Y602-Y604 AromaticContact CD1-CD2 3.89Å; Y602-Y604 HydrophobicContact CD1-CD2 3.89Å; Y602-Y604 AromaticContact CD1-CE1 3.7Å; Y602-Y604 HydrophobicContact CD1-CE1 3.7Å; Y602-Y604 AromaticContact CD1-CE2 3.74Å; Y602-Y604 HydrophobicContact CD1-CE2 3.74Å; Y602-Y604 AromaticContact CD1-CG 3.93Å; Y602-Y604 HydrophobicContact CD1-CG 3.93Å; Y602-Y604 AromaticContact CD1-CZ 3.62Å; Y602-Y604 AromaticContact CE1-CD1 3.83Å; Y602-Y604 HydrophobicContact CE1-CD1 3.83Å; Y602-Y604 AromaticContact CE1-CE1 3.87Å; Y602-Y604 HydrophobicContact CE1-CE1 3.87Å; Y602-Y604 HydrophobicContact CE1-CG 4.21Å; Y602-Y604 HydrophobicContact CG-CE2 4.48Å; Y604-E608 HydrophobicContact CD1-CB 4.35Å; Y604-M609 HydrophobicContact CD1-CE 3.93Å; Y604-M609 HydrophobicContact CD2-CE 3.24Å; Y604-M609 HydrophobicContact CE2-CE 3.93Å; Y604-M609 HydrophobicContact CG-CE 3.24Å; Y604-L612 HydrophobicContact CD1-CD1 4.28Å; Y604-L612 HydrophobicContact CE1-CD1 4.28Å |
| 605 | S | 97.8 | Very high | 97 | Very high | 47 Ų | 47 | 58 Ų | 58 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 159.1 | 166.9 | 67 | 0 | 0 | 0 | 0 | 112 | E607 E608 M609 | S605-E607 VanDerWaalsContact C-N 3.25Å; S605-E607 PolarHBondContact O-N 2.89Å; S605-E608 WeakPolarHBondContact CB-OE2 3.33Å; S605-E608 PolarHBondContact N-OE2 2.97Å; S605-E608 PolarHBondContact O-N 2.84Å; S605-E608 VanDerWaalsContact OG-CG 3.27Å; S605-E608 WeakPolarHBondContact OG-CG 3.22Å; S605-E608 PolarHBondContact OG-N 2.88Å; S605-E608 PolarHBondContact OG-OE2 2.72Å; S605-M609 PolarHBondContact O-N 3.39Å; S605-M609 VanDerWaalsContact O-N 3.09Å |
| 606 | M | 97.8 | Very high | 97.1 | Very high | 96 Ų | 96 | 53.6 Ų | 53.6 | 47% | 0.473 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.3 | -33.1 | 173.7 | -174.4 | 57.1 | 67.4 | 0 | 0 | 112.3 | P480 P550 M609 L610 | P480-M606 HydrophobicContact CB-CE 4.21Å; P480-M606 HydrophobicContact CG-CE 4.33Å; P550-M606 HydrophobicContact CB-CE 4.45Å; P550-M606 HydrophobicContact CB-SD 3.61Å; P550-M606 HydrophobicContact CG-SD 3.98Å; M606-M609 PolarHBondContact O-N 3.1Å; M606-L610 WeakPolarHBondContact O-CG 3.35Å; M606-L610 PolarHBondContact O-N 3.42Å |
| 607 | E | 94.6 | Very high | 97 | Very high | 123 Ų | 123 | 50.1 Ų | 50.1 | 58% | 0.575 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.6 | -45.7 | 175.8 | -174.7 | -178.2 | 169.3 | 0 | 0 | 111.4 | S605 M609 L610 Q611 | S605-E607 VanDerWaalsContact C-N 3.25Å; S605-E607 PolarHBondContact O-N 2.89Å; E607-M609 VanDerWaalsContact C-N 3.31Å; E607-M609 PolarHBondContact O-N 2.91Å; E607-L610 PolarHBondContact O-N 3.11Å; E607-Q611 WeakPolarHBondContact O-CG 3.31Å; E607-Q611 PolarHBondContact O-N 3.48Å |
| 608 | E | 96.5 | Very high | 96.9 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 174.8 | -72.5 | 167.1 | 105.7 | 0 | 0 | 111.4 | Y604 S605 Q611 L612 | Y604-E608 HydrophobicContact CD1-CB 4.35Å; S605-E608 WeakPolarHBondContact CB-OE2 3.33Å; S605-E608 PolarHBondContact N-OE2 2.97Å; S605-E608 PolarHBondContact O-N 2.84Å; S605-E608 VanDerWaalsContact OG-CG 3.27Å; S605-E608 WeakPolarHBondContact OG-CG 3.22Å; S605-E608 PolarHBondContact OG-N 2.88Å; S605-E608 PolarHBondContact OG-OE2 2.72Å; E608-Q611 PolarHBondContact O-N 3Å; E608-L612 WeakPolarHBondContact O-CB 3.48Å; E608-L612 VanDerWaalsContact O-CG 3.26Å; E608-L612 WeakPolarHBondContact O-CG 3.48Å; E608-L612 PolarHBondContact O-N 2.9Å |
| 609 | M | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.5 | -36.9 | 179.2 | -76.3 | -68 | 151.2 | 0 | 0 | 113.3 | P480 L482 P550 Y604 S605 M606 E607 L612 G613 | P480-M609 HydrophobicContact CB-CB 4.5Å; P480-M609 HydrophobicContact CB-CG 3.81Å; L482-M609 WeakPolarHBondContact CD2-O 3.29Å; L482-M609 HydrophobicContact CD2-SD 4.02Å; L482-M609 HydrophobicContact CG-SD 3.81Å; P550-M609 HydrophobicContact CB-CB 4.02Å; P550-M609 HydrophobicContact CG-CB 4.38Å; Y604-M609 HydrophobicContact CD1-CE 3.93Å; Y604-M609 HydrophobicContact CD2-CE 3.24Å; Y604-M609 HydrophobicContact CE2-CE 3.93Å; Y604-M609 HydrophobicContact CG-CE 3.24Å; S605-M609 PolarHBondContact O-N 3.39Å; S605-M609 VanDerWaalsContact O-N 3.09Å; M606-M609 PolarHBondContact O-N 3.1Å; E607-M609 VanDerWaalsContact C-N 3.31Å; E607-M609 PolarHBondContact O-N 2.91Å; M609-L612 HydrophobicContact CE-CD1 3.99Å; M609-L612 PolarHBondContact O-N 3.43Å; M609-L612 HydrophobicContact SD-CD1 4.32Å; M609-G613 PolarHBondContact O-N 3.4Å |
| 610 | L | 95.7 | Very high | 96.9 | Very high | 89 Ų | 89 | 44.2 Ų | 44.2 | 47% | 0.466 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 173.3 | -75.9 | 167.2 | 0 | 0 | 0 | 111.5 | P550 M606 E607 G613 Q614 | P550-L610 HydrophobicContact CG-CD2 3.6Å; P550-L610 HydrophobicContact CG-CG 3.98Å; M606-L610 WeakPolarHBondContact O-CG 3.35Å; M606-L610 PolarHBondContact O-N 3.42Å; E607-L610 PolarHBondContact O-N 3.11Å; L610-G613 PolarHBondContact O-N 3.3Å; L610-Q614 WeakPolarHBondContact O-CG 3.49Å; L610-Q614 PolarHBondContact O-N 2.92Å |
| 611 | Q | 94 | Very high | 96.8 | Very high | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.1 | -66.3 | 175 | 3.8 | 0 | 0 | 111.8 | E607 E608 H615 | E607-Q611 WeakPolarHBondContact O-CG 3.31Å; E607-Q611 PolarHBondContact O-N 3.48Å; E608-Q611 PolarHBondContact O-N 3Å; Q611-H615 WeakPolarHBondContact O-CB 3.3Å; Q611-H615 PolarHBondContact O-N 2.79Å |
| 612 | L | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 177.6 | -77.4 | 170.2 | 0 | 0 | 0 | 112 | R317 L482 Y573 T577 Y604 E608 M609 Q614 H615 C616 | R317-L612 HydrophobicContact CG-CD2 4.08Å; R317-L612 VanDerWaalsContact NE-CD2 3.34Å; L482-L612 HydrophobicContact CD1-CB 4.18Å; Y573-L612 HydrophobicContact CD1-CD2 4.14Å; Y573-L612 HydrophobicContact CE1-CD2 3.67Å; T577-L612 HydrophobicContact CG2-CD1 4.27Å; Y604-L612 HydrophobicContact CD1-CD1 4.28Å; Y604-L612 HydrophobicContact CE1-CD1 4.28Å; E608-L612 WeakPolarHBondContact O-CB 3.48Å; E608-L612 VanDerWaalsContact O-CG 3.26Å; E608-L612 WeakPolarHBondContact O-CG 3.48Å; E608-L612 PolarHBondContact O-N 2.9Å; M609-L612 HydrophobicContact CE-CD1 3.99Å; M609-L612 PolarHBondContact O-N 3.43Å; M609-L612 HydrophobicContact SD-CD1 4.32Å; L612-Q614 PolarHBondContact O-N 2.78Å; L612-H615 PolarHBondContact O-N 3.3Å; L612-C616 VanDerWaalsContact O-CB 3.3Å; L612-C616 WeakPolarHBondContact O-CB 3.49Å; L612-C616 PolarHBondContact O-N 3.38Å; L612-C616 PolarHBondContact O-SG 2.85Å; L612-C616 VanDerWaalsContact O-SG 3.39Å |
| 613 | G | 97.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y548 M609 L610 S617 | Y548-G613 CarbonylContact O-C 3.13Å; Y548-G613 VanDerWaalsContact O-CA 3.28Å; Y548-G613 WeakPolarHBondContact O-CA 3.44Å; M609-G613 PolarHBondContact O-N 3.4Å; L610-G613 PolarHBondContact O-N 3.3Å; G613-S617 VanDerWaalsContact O-CB 3.24Å; G613-S617 WeakPolarHBondContact O-CB 3.17Å; G613-S617 PolarHBondContact O-N 3.09Å; G613-S617 VanDerWaalsContact O-N 3.08Å; G613-S617 PolarHBondContact O-OG 3.14Å |
| 614 | Q | 93.3 | Very high | 96.4 | Very high | 132 Ų | 132 | 48.1 Ų | 48.1 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.1 | -49.8 | 174.7 | -69.3 | 177.2 | -5.2 | 0 | 0 | 112 | L610 L612 M618 | L610-Q614 WeakPolarHBondContact O-CG 3.49Å; L610-Q614 PolarHBondContact O-N 2.92Å; L612-Q614 PolarHBondContact O-N 2.78Å; Q614-M618 WeakPolarHBondContact O-CB 3.25Å; Q614-M618 PolarHBondContact O-N 3.18Å |
| 615 | H | 95.6 | Very high | 96.3 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 22% | 0.218 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -48.9 | -177.8 | 179.3 | 71.2 | 0 | 0 | 0 | 112.6 | R317 Q611 L612 S617 M618 A619 | R317-H615 PolarHBondContact O-CD2 3.47Å; R317-H615 PolarHBondContact O-NE2 3.3Å; Q611-H615 WeakPolarHBondContact O-CB 3.3Å; Q611-H615 PolarHBondContact O-N 2.79Å; L612-H615 PolarHBondContact O-N 3.3Å; H615-S617 PolarHBondContact O-N 3.22Å; H615-M618 WeakPolarHBondContact O-CB 3.24Å; H615-M618 PolarHBondContact O-N 2.8Å; H615-A619 WeakPolarHBondContact O-CB 3.45Å; H615-A619 PolarHBondContact O-N 2.81Å |
| 616 | C | 98.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -38.5 | -179.5 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | Y548 P574 L612 M618 A619 E620 | Y548-C616 HydrophobicContact CD2-CB 3.97Å; Y548-C616 HydrophobicContact CG-CB 4.45Å; P574-C616 HydrophobicContact CG-CB 3.66Å; L612-C616 VanDerWaalsContact O-CB 3.3Å; L612-C616 WeakPolarHBondContact O-CB 3.49Å; L612-C616 PolarHBondContact O-N 3.38Å; L612-C616 PolarHBondContact O-SG 2.85Å; L612-C616 VanDerWaalsContact O-SG 3.39Å; C616-M618 VanDerWaalsContact C-N 3.33Å; C616-A619 PolarHBondContact O-N 3.39Å; C616-E620 PolarHBondContact O-N 2.88Å |
| 617 | S | 96.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.3 | -34.2 | 174.5 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | Y548 G613 H615 R621 | Y548-S617 PolarHBondContact N-OG 3.43Å; Y548-S617 PolarHBondContact O-OG 3.08Å; G613-S617 VanDerWaalsContact O-CB 3.24Å; G613-S617 WeakPolarHBondContact O-CB 3.17Å; G613-S617 PolarHBondContact O-N 3.09Å; G613-S617 VanDerWaalsContact O-N 3.08Å; G613-S617 PolarHBondContact O-OG 3.14Å; H615-S617 PolarHBondContact O-N 3.22Å; S617-R621 PolarHBondContact O-N 2.82Å; S617-R621 PolarHBondContact O-NH1 2.96Å; S617-R621 VanDerWaalsContact O-NH1 3.15Å |
| 618 | M | 94.7 | Very high | 96.1 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 35% | 0.345 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.4 | -46.2 | 172.7 | 178.4 | -78.4 | -67 | 0 | 0 | 111.1 | Q614 H615 C616 E620 R621 R622 | Q614-M618 WeakPolarHBondContact O-CB 3.25Å; Q614-M618 PolarHBondContact O-N 3.18Å; H615-M618 WeakPolarHBondContact O-CB 3.24Å; H615-M618 PolarHBondContact O-N 2.8Å; C616-M618 VanDerWaalsContact C-N 3.33Å; M618-E620 VanDerWaalsContact C-N 3.31Å; M618-E620 PolarHBondContact O-N 3.27Å; M618-R621 PolarHBondContact O-N 3.28Å; M618-R622 WeakPolarHBondContact O-CB 3.28Å; M618-R622 PolarHBondContact O-N 3.15Å; M618-R622 HydrophobicContact SD-CB 4.29Å |
| 619 | A | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H615 C616 R622 A623 | H615-A619 WeakPolarHBondContact O-CB 3.45Å; H615-A619 PolarHBondContact O-N 2.81Å; C616-A619 PolarHBondContact O-N 3.39Å; A619-R622 PolarHBondContact O-N 3.2Å; A619-A623 WeakPolarHBondContact O-CB 3.45Å; A619-A623 PolarHBondContact O-N 3.22Å |
| 620 | E | 97.9 | Very high | 95.8 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60 | -52.6 | 172.4 | -179.3 | 179.4 | -161.5 | 0 | 0 | 111.6 | R484 Y548 C616 M618 R622 A623 D624 | R484-E620 IonicContact CZ-OE1 2.71Å; R484-E620 IonicContact CZ-OE2 3.9Å; R484-E620 IonicContact NH1-OE1 3.68Å; R484-E620 PolarHBondContact NH1-OE1 2.98Å; R484-E620 IonicContact NH1-OE2 3.03Å; R484-E620 PolarHBondContact NH1-OE2 3.1Å; R484-E620 IonicContact NH2-OE1 2.78Å; R484-E620 PolarHBondContact NH2-OE1 3.39Å; R484-E620 IonicContact NH2-OE2 3.86Å; R484-E620 PolarHBondContact NH2-OE2 2.93Å; Y548-E620 WeakPolarHBondContact CE2-OE2 3.24Å; C616-E620 PolarHBondContact O-N 2.88Å; M618-E620 VanDerWaalsContact C-N 3.31Å; M618-E620 PolarHBondContact O-N 3.27Å; E620-R622 VanDerWaalsContact C-N 3.32Å; E620-R622 PolarHBondContact O-N 2.94Å; E620-A623 WeakPolarHBondContact O-CB 3.28Å; E620-A623 PolarHBondContact O-N 2.9Å; E620-A623 VanDerWaalsContact O-N 3.15Å; E620-D624 PolarHBondContact O-N 2.94Å |
| 621 | R | 95.2 | Very high | 95.7 | Very high | 83 Ų | 83 | 44.6 Ų | 44.6 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 177.5 | -72.2 | -171.2 | -59.7 | -86.5 | 0.3 | 112.7 | S617 M618 A623 D624 E625 | S617-R621 PolarHBondContact O-N 2.82Å; S617-R621 PolarHBondContact O-NH1 2.96Å; S617-R621 VanDerWaalsContact O-NH1 3.15Å; M618-R621 PolarHBondContact O-N 3.28Å; R621-A623 VanDerWaalsContact C-N 3.29Å; R621-A623 PolarHBondContact O-N 3.07Å; R621-D624 PolarHBondContact O-N 3.11Å; R621-E625 WeakPolarHBondContact O-CB 3.46Å; R621-E625 WeakPolarHBondContact O-CG 3.5Å; R621-E625 PolarHBondContact O-N 2.81Å |
| 622 | R | 95.6 | Very high | 95.7 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 176.4 | 177.2 | -178.7 | 59.9 | -179.6 | -0.4 | 111.2 | H231 E232 I233 N318 R319 M618 A619 E620 A626 | H231-R622 HydrophobicContact CB-CG 4.08Å; H231-R622 WeakPolarHBondContact O-CD 3.35Å; H231-R622 WeakPolarHBondContact O-CG 3.19Å; E232-R622 PolarHBondContact O-NH1 2.7Å; I233-R622 HydrophobicContact CD1-CG 4.39Å; I233-R622 HydrophobicContact CG1-CG 3.84Å; N318-R622 PolarHBondContact O-NH2 3.02Å; R319-R622 PolarHBondContact O-NH2 3.09Å; M618-R622 WeakPolarHBondContact O-CB 3.28Å; M618-R622 PolarHBondContact O-N 3.15Å; M618-R622 HydrophobicContact SD-CB 4.29Å; A619-R622 PolarHBondContact O-N 3.2Å; E620-R622 VanDerWaalsContact C-N 3.32Å; E620-R622 PolarHBondContact O-N 2.94Å; R622-A626 WeakPolarHBondContact O-CB 3.22Å; R622-A626 PolarHBondContact O-N 3.36Å; R622-A626 VanDerWaalsContact O-N 3.13Å |
| 623 | A | 97.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T321 V323 A619 E620 R621 E625 A626 T627 | T321-A623 HydrophobicContact CG2-CB 3.94Å; V323-A623 HydrophobicContact CB-CB 4.44Å; V323-A623 HydrophobicContact CG1-CB 4.13Å; V323-A623 HydrophobicContact CG2-CB 3.81Å; A619-A623 WeakPolarHBondContact O-CB 3.45Å; A619-A623 PolarHBondContact O-N 3.22Å; E620-A623 WeakPolarHBondContact O-CB 3.28Å; E620-A623 PolarHBondContact O-N 2.9Å; E620-A623 VanDerWaalsContact O-N 3.15Å; R621-A623 VanDerWaalsContact C-N 3.29Å; R621-A623 PolarHBondContact O-N 3.07Å; A623-E625 PolarHBondContact O-N 2.93Å; A623-A626 PolarHBondContact O-N 2.98Å; A623-T627 VanDerWaalsContact O-CG2 3.31Å; A623-T627 WeakPolarHBondContact O-CG2 3.43Å; A623-T627 PolarHBondContact O-N 2.88Å; A623-T627 PolarHBondContact O-OG1 2.96Å; A623-T627 VanDerWaalsContact O-OG1 3.14Å |
| 624 | D | 95.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.2 | -38.9 | 179.1 | -69.2 | -19 | 0 | 0 | 0 | 113 | E620 R621 T627 R628 | E620-D624 PolarHBondContact O-N 2.94Å; R621-D624 PolarHBondContact O-N 3.11Å; D624-T627 PolarHBondContact O-OG1 2.85Å; D624-R628 VanDerWaalsContact O-CB 3.26Å; D624-R628 WeakPolarHBondContact O-CB 3.4Å; D624-R628 PolarHBondContact O-N 2.81Å; D624-R628 VanDerWaalsContact O-N 3.12Å |
| 625 | E | 94.2 | Very high | 95.4 | Very high | 83 Ų | 83 | 44.6 Ų | 44.6 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.8 | -45.6 | 177.1 | -73 | 175.4 | -167.4 | 0 | 0 | 111.1 | R621 A623 R628 D629 | R621-E625 WeakPolarHBondContact O-CB 3.46Å; R621-E625 WeakPolarHBondContact O-CG 3.5Å; R621-E625 PolarHBondContact O-N 2.81Å; A623-E625 PolarHBondContact O-N 2.93Å; E625-R628 PolarHBondContact O-N 3.24Å; E625-D629 PolarHBondContact O-N 3.32Å |
| 626 | A | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A227 H231 I233 F325 R622 A623 R628 D629 V630 | A227-A626 HydrophobicContact CB-CB 4.39Å; H231-A626 HydrophobicContact CB-CB 4.12Å; I233-A626 HydrophobicContact CD1-CB 3.32Å; F325-A626 HydrophobicContact CE1-CB 4.04Å; F325-A626 HydrophobicContact CZ-CB 4.02Å; R622-A626 WeakPolarHBondContact O-CB 3.22Å; R622-A626 PolarHBondContact O-N 3.36Å; R622-A626 VanDerWaalsContact O-N 3.13Å; A623-A626 PolarHBondContact O-N 2.98Å; A626-R628 VanDerWaalsContact C-N 3.32Å; A626-D629 PolarHBondContact O-N 2.89Å; A626-V630 PolarHBondContact O-N 2.86Å |
| 627 | T | 95.8 | Very high | 95.2 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.7 | -34.3 | 178.3 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | V323 Y324 F325 A623 D624 V630 A631 | V323-T627 HydrophobicContact CG1-CG2 3.66Å; Y324-T627 VanDerWaalsContact O-CG2 3.23Å; Y324-T627 WeakPolarHBondContact O-CG2 3.25Å; F325-T627 HydrophobicContact CD1-CG2 4.15Å; F325-T627 HydrophobicContact CE1-CG2 4.34Å; F325-T627 HydrophobicContact CG-CG2 4.47Å; A623-T627 VanDerWaalsContact O-CG2 3.31Å; A623-T627 WeakPolarHBondContact O-CG2 3.43Å; A623-T627 PolarHBondContact O-N 2.88Å; A623-T627 PolarHBondContact O-OG1 2.96Å; A623-T627 VanDerWaalsContact O-OG1 3.14Å; D624-T627 PolarHBondContact O-OG1 2.85Å; T627-V630 PolarHBondContact O-N 2.81Å; T627-A631 WeakPolarHBondContact O-CB 3.47Å; T627-A631 PolarHBondContact O-N 3.37Å |
| 628 | R | 94.5 | Very high | 95 | Very high | 144 Ų | 144 | 49.1 Ų | 49.1 | 54% | 0.543 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 172.2 | -173.9 | -178.1 | -60.1 | 140.6 | 6.8 | 111.9 | D624 E625 A626 V630 A631 D632 | D624-R628 VanDerWaalsContact O-CB 3.26Å; D624-R628 WeakPolarHBondContact O-CB 3.4Å; D624-R628 PolarHBondContact O-N 2.81Å; D624-R628 VanDerWaalsContact O-N 3.12Å; E625-R628 PolarHBondContact O-N 3.24Å; A626-R628 VanDerWaalsContact C-N 3.32Å; R628-V630 VanDerWaalsContact C-N 3.29Å; R628-V630 PolarHBondContact O-N 3.48Å; R628-A631 CarbonylContact O-C 3.58Å; R628-A631 PolarHBondContact O-N 3.2Å; R628-A631 VanDerWaalsContact O-N 3.13Å; R628-D632 WeakPolarHBondContact O-CB 3.39Å; R628-D632 VanDerWaalsContact O-CG 3.31Å; R628-D632 PolarHBondContact O-N 3.04Å |
| 629 | D | 93.7 | Very high | 95.1 | Very high | 73 Ų | 73 | 51.1 Ų | 51.1 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.9 | -43 | 178.9 | -74.4 | -2.9 | 0 | 0 | 0 | 111.7 | H231 E625 A626 D632 W633 | H231-D629 IonicContact CD2-OD2 3.25Å; H231-D629 IonicContact CE1-OD2 2.96Å; H231-D629 IonicContact NE2-OD2 3.63Å; H231-D629 PolarHBondContact NE2-OD2 3.06Å; E625-D629 PolarHBondContact O-N 3.32Å; A626-D629 PolarHBondContact O-N 2.89Å; D629-D632 PolarHBondContact O-N 3.02Å; D629-W633 PolarHBondContact O-N 3.04Å |
| 630 | V | 94.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | A223 V224 A227 F325 P326 A626 T627 R628 D632 W633 L634 | A223-V630 HydrophobicContact CB-CG1 4.43Å; A223-V630 HydrophobicContact CB-CG2 4.5Å; V224-V630 HydrophobicContact CG2-CG1 4.08Å; V224-V630 HydrophobicContact CG2-CG2 4.25Å; A227-V630 HydrophobicContact CB-CG2 3.72Å; F325-V630 HydrophobicContact CD1-CB 4.02Å; F325-V630 HydrophobicContact CD1-CG1 4.46Å; F325-V630 HydrophobicContact CD1-CG2 3.56Å; F325-V630 HydrophobicContact CE1-CG2 3.68Å; P326-V630 HydrophobicContact CG-CG1 4.28Å; A626-V630 PolarHBondContact O-N 2.86Å; T627-V630 PolarHBondContact O-N 2.81Å; R628-V630 VanDerWaalsContact C-N 3.29Å; R628-V630 PolarHBondContact O-N 3.48Å; V630-D632 VanDerWaalsContact C-N 3.32Å; V630-D632 PolarHBondContact O-N 2.98Å; V630-W633 PolarHBondContact O-N 3.21Å; V630-L634 HydrophobicContact CG1-CD1 4.15Å; V630-L634 WeakPolarHBondContact O-CB 3.32Å; V630-L634 WeakPolarHBondContact O-CG 3.49Å; V630-L634 PolarHBondContact O-N 2.79Å |
| 631 | A | 93.6 | Very high | 94 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F436 T627 R628 L634 K635 | F436-A631 HydrophobicContact CE2-CB 4.01Å; F436-A631 HydrophobicContact CZ-CB 4.47Å; T627-A631 WeakPolarHBondContact O-CB 3.47Å; T627-A631 PolarHBondContact O-N 3.37Å; R628-A631 CarbonylContact O-C 3.58Å; R628-A631 PolarHBondContact O-N 3.2Å; R628-A631 VanDerWaalsContact O-N 3.13Å; A631-L634 PolarHBondContact O-N 2.82Å; A631-K635 WeakPolarHBondContact O-CG 3.27Å; A631-K635 PolarHBondContact O-N 2.81Å |
| 632 | D | 94.2 | Very high | 92.4 | Very high | 67 Ų | 67 | 66.2 Ų | 66.2 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 178.3 | -71 | -13 | 0 | 0 | 0 | 111.2 | R628 D629 V630 L634 K635 C636 | R628-D632 WeakPolarHBondContact O-CB 3.39Å; R628-D632 VanDerWaalsContact O-CG 3.31Å; R628-D632 PolarHBondContact O-N 3.04Å; D629-D632 PolarHBondContact O-N 3.02Å; V630-D632 VanDerWaalsContact C-N 3.32Å; V630-D632 PolarHBondContact O-N 2.98Å; D632-L634 PolarHBondContact O-N 2.71Å; D632-K635 PolarHBondContact O-N 2.7Å; D632-K635 IonicContact OD1-NZ 3.53Å; D632-K635 PolarHBondContact OD1-NZ 2.93Å; D632-K635 VanDerWaalsContact OD1-NZ 3.16Å; D632-C636 PolarHBondContact O-N 3.22Å; D632-C636 PolarHBondContact O-SG 2.88Å; D632-C636 VanDerWaalsContact O-SG 3.39Å |
| 633 | W | 93.9 | Very high | 92.2 | Very high | 77 Ų | 77 | 67.8 Ų | 67.8 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 170.7 | -177.6 | 89.5 | 0 | 0 | 0 | 111.9 | A223 D629 V630 K635 C636 D637 | A223-W633 HydrophobicContact CB-CB 4.29Å; A223-W633 HydrophobicContact CB-CD2 3.77Å; A223-W633 HydrophobicContact CB-CE3 3.88Å; A223-W633 HydrophobicContact CB-CG 3.92Å; D629-W633 PolarHBondContact O-N 3.04Å; V630-W633 PolarHBondContact O-N 3.21Å; W633-K635 PolarHBondContact O-N 2.91Å; W633-C636 PolarHBondContact O-N 3.34Å; W633-D637 HydrophobicContact CH2-CB 4.29Å; W633-D637 HydrophobicContact CZ3-CB 4.33Å; W633-D637 PolarHBondContact O-N 3.16Å |
| 634 | L | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 178.7 | -80.4 | 167.4 | 0 | 0 | 0 | 112.7 | T220 P326 F438 I444 V630 A631 D632 D637 F638 | T220-L634 HydrophobicContact CG2-CD1 4.24Å; T220-L634 HydrophobicContact CG2-CD2 3.97Å; T220-L634 HydrophobicContact CG2-CG 4.37Å; T220-L634 WeakPolarHBondContact OG1-CD2 3.37Å; P326-L634 HydrophobicContact CB-CD1 3.66Å; P326-L634 HydrophobicContact CG-CD1 3.73Å; F438-L634 HydrophobicContact CE1-CD1 3.87Å; F438-L634 HydrophobicContact CE1-CD2 4.14Å; F438-L634 HydrophobicContact CZ-CD1 4.12Å; I444-L634 HydrophobicContact CD1-CB 3.8Å; I444-L634 HydrophobicContact CG1-CB 4.12Å; I444-L634 HydrophobicContact CG1-CD2 4.3Å; V630-L634 HydrophobicContact CG1-CD1 4.15Å; V630-L634 WeakPolarHBondContact O-CB 3.32Å; V630-L634 WeakPolarHBondContact O-CG 3.49Å; V630-L634 PolarHBondContact O-N 2.79Å; A631-L634 PolarHBondContact O-N 2.82Å; D632-L634 PolarHBondContact O-N 2.71Å; L634-D637 PolarHBondContact O-N 3.22Å; L634-F638 WeakPolarHBondContact O-CB 3.48Å; L634-F638 PolarHBondContact O-N 2.89Å |
| 635 | K | 94.2 | Very high | 91.7 | Very high | 84 Ų | 84 | 70.9 Ų | 70.9 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 174.7 | -70.5 | 165.5 | -163.5 | 164.5 | 0 | 111.3 | F436 A631 D632 W633 F638 M639 | F436-K635 HydrophobicContact CZ-CG 4.21Å; A631-K635 WeakPolarHBondContact O-CG 3.27Å; A631-K635 PolarHBondContact O-N 2.81Å; D632-K635 PolarHBondContact O-N 2.7Å; D632-K635 IonicContact OD1-NZ 3.53Å; D632-K635 PolarHBondContact OD1-NZ 2.93Å; D632-K635 VanDerWaalsContact OD1-NZ 3.16Å; W633-K635 PolarHBondContact O-N 2.91Å; K635-F638 PolarHBondContact O-N 3.36Å; K635-M639 VanDerWaalsContact O-CG 3.23Å; K635-M639 WeakPolarHBondContact O-CG 3.24Å; K635-M639 PolarHBondContact O-N 3.25Å; K635-M639 VanDerWaalsContact O-N 3.1Å |
| 636 | C | 95.4 | Very high | 91.6 | Very high | 88 Ų | 88 | 70.2 Ų | 70.2 | 60% | 0.595 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 174.7 | -72.8 | 0 | 0 | 0 | 0 | 111.5 | D632 W633 M639 L640 | D632-C636 PolarHBondContact O-N 3.22Å; D632-C636 PolarHBondContact O-SG 2.88Å; D632-C636 VanDerWaalsContact O-SG 3.39Å; W633-C636 PolarHBondContact O-N 3.34Å; C636-M639 PolarHBondContact O-N 3.06Å; C636-L640 PolarHBondContact O-N 3.33Å |
| 637 | D | 93.7 | Very high | 91.3 | Very high | 25 Ų | 25 | 74.6 Ų | 74.6 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.9 | -171.7 | 71.2 | 0 | 0 | 0 | 111.6 | R443 W633 L634 M639 L640 | R443-D637 WeakPolarHBondContact CD-OD2 3.47Å; R443-D637 IonicContact CZ-OD1 2.88Å; R443-D637 IonicContact CZ-OD2 3.78Å; R443-D637 IonicContact NE-OD2 2.7Å; R443-D637 IonicContact NH1-OD1 2.91Å; R443-D637 PolarHBondContact NH1-OD1 2.79Å; R443-D637 IonicContact NH1-OD2 3.2Å; R443-D637 PolarHBondContact NH1-OD2 3.43Å; R443-D637 IonicContact NH2-OD1 3.06Å; W633-D637 HydrophobicContact CH2-CB 4.29Å; W633-D637 HydrophobicContact CZ3-CB 4.33Å; W633-D637 PolarHBondContact O-N 3.16Å; L634-D637 PolarHBondContact O-N 3.22Å; D637-M639 VanDerWaalsContact C-N 3.27Å; D637-M639 PolarHBondContact O-N 2.98Å; D637-L640 WeakPolarHBondContact O-CB 3.37Å; D637-L640 PolarHBondContact O-N 3.05Å |
| 638 | F | 94 | Very high | 91 | Very high | 39 Ų | 39 | 77.5 Ų | 77.5 | 17% | 0.171 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.6 | -28.8 | 176.7 | -179.5 | -105.7 | 0 | 0 | 0 | 114 | I444 I447 L634 K635 D641 | I444-F638 HydrophobicContact CB-CB 4.08Å; I444-F638 HydrophobicContact CB-CD2 3.77Å; I444-F638 HydrophobicContact CB-CG 4.13Å; I444-F638 HydrophobicContact CD1-CB 4.27Å; I444-F638 HydrophobicContact CG2-CB 4.37Å; I444-F638 HydrophobicContact CG2-CD2 3.45Å; I444-F638 VanDerWaalsContact CG2-CD2 3.45Å; I444-F638 HydrophobicContact CG2-CE2 3.84Å; I444-F638 HydrophobicContact CG2-CG 3.9Å; I444-F638 WeakPolarHBondContact O-CD2 3.37Å; I447-F638 HydrophobicContact CD1-CD1 3.93Å; I447-F638 HydrophobicContact CD1-CE1 4.01Å; I447-F638 HydrophobicContact CG1-CD1 4.46Å; I447-F638 HydrophobicContact CG1-CE1 4.27Å; I447-F638 HydrophobicContact CG1-CZ 4.49Å; L634-F638 WeakPolarHBondContact O-CB 3.48Å; L634-F638 PolarHBondContact O-N 2.89Å; K635-F638 PolarHBondContact O-N 3.36Å; F638-D641 VanDerWaalsContact O-OD1 3.13Å |
| 639 | M | 95.3 | Very high | 90.7 | Very high | 112 Ų | 112 | 72.8 Ų | 72.8 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.9 | 179.6 | -64.3 | -61.6 | -59.4 | 0 | 0 | 113.1 | K635 C636 D637 D641 Q642 | K635-M639 VanDerWaalsContact O-CG 3.23Å; K635-M639 WeakPolarHBondContact O-CG 3.24Å; K635-M639 PolarHBondContact O-N 3.25Å; K635-M639 VanDerWaalsContact O-N 3.1Å; C636-M639 PolarHBondContact O-N 3.06Å; D637-M639 VanDerWaalsContact C-N 3.27Å; D637-M639 PolarHBondContact O-N 2.98Å; M639-D641 VanDerWaalsContact C-N 3.3Å; M639-D641 PolarHBondContact O-N 3.44Å; M639-Q642 HydrophobicContact CE-CB 3.97Å; M639-Q642 HydrophobicContact CE-CG 4.36Å; M639-Q642 HydrophobicContact SD-CB 4.35Å; M639-Q642 HydrophobicContact SD-CG 4.1Å |
| 640 | L | 92.4 | Very high | 90.5 | Very high | 139 Ų | 139 | 72.8 Ų | 72.8 | 73% | 0.728 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -70.3 | -25 | 179.7 | -78.1 | 171.7 | 0 | 0 | 0 | 113.4 | C636 D637 | C636-L640 PolarHBondContact O-N 3.33Å; D637-L640 WeakPolarHBondContact O-CB 3.37Å; D637-L640 PolarHBondContact O-N 3.05Å |
| 641 | D | 80 | Confident | 90.2 | Very high | 132 Ų | 132 | 78.8 Ų | 78.8 | 71% | 0.706 | 40% | 0.4 | S | S | * | . | trans | -114.1 | 2 | -177.2 | 67.2 | -14.4 | 0 | 0 | 0 | 114.2 | F638 M639 | F638-D641 VanDerWaalsContact O-OD1 3.13Å; M639-D641 VanDerWaalsContact C-N 3.3Å; M639-D641 PolarHBondContact O-N 3.44Å | ||
| 642 | Q | 61.4 | Low | 89.9 | Confident | 168 Ų | 168 | 84.6 Ų | 84.6 | 79% | 0.785 | 43% | 0.426 | S | S | * | . | trans | -86.8 | 0 | 171.1 | -60.1 | -66.8 | -32.6 | 0 | 0 | 110.7 | M639 | M639-Q642 HydrophobicContact CE-CB 3.97Å; M639-Q642 HydrophobicContact CE-CG 4.36Å; M639-Q642 HydrophobicContact SD-CB 4.35Å; M639-Q642 HydrophobicContact SD-CG 4.1Å |
Retrieved 642 of 642 residues in 381.7 ms
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