| 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 | F | 33.2 | Very low | 47 | Very low | 270 Ų | 270 | 136.6 Ų | 136.6 | 100% | 1.184 | 75% | 0.753 | S | S | * | * | 0 | 92 | 0 | -79.6 | -94.8 | 0 | 0 | 0 | 107.9 | |||||
| 2 | L | 31.9 | Very low | 51.2 | Low | 168 Ų | 168 | 125.7 Ų | 125.7 | 88% | 0.88 | 69% | 0.692 | S | S | * | * | trans | -79.4 | 137.7 | 170.2 | -82.2 | 155.5 | 0 | 0 | 0 | 107.4 | S4 | L2-S4 PolarHBondContact O-N 2.88Š| ||
| 3 | P | 37.4 | Very low | 54.8 | Low | 109 Ų | 109 | 118 Ų | 118 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | trans | -65 | 131.5 | -179.7 | 25.2 | -26.8 | 0 | 0 | 0 | 108.4 | L5 | P3-L5 PolarHBondContact O-N 3.37Š| ||
| 4 | S | 39.3 | Very low | 58 | Low | 112 Ų | 112 | 109.7 Ų | 109.7 | 78% | 0.783 | 60% | 0.604 | S | S | * | * | trans | -55.3 | 111 | 168.4 | 53.4 | 0 | 0 | 0 | 0 | 107.7 | L2 S6 | L2-S4 PolarHBondContact O-N 2.88Å; S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 2.73Å | ||
| 5 | L | 41.1 | Very low | 60.7 | Low | 163 Ų | 163 | 102.4 Ų | 102.4 | 85% | 0.853 | 56% | 0.564 | S | S | * | * | trans | -59.1 | 100.9 | 162.8 | -89.6 | 106.8 | 0 | 0 | 0 | 106.3 | P3 I7 | P3-L5 PolarHBondContact O-N 3.37Å; L5-I7 PolarHBondContact O-N 2.88Å; L5-I7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | S | 39 | Very low | 63.1 | Low | 90 Ų | 90 | 96 Ų | 96 | 63% | 0.629 | 53% | 0.529 | S | S | * | . | trans | -58.2 | 113.2 | 161.5 | 57.7 | 0 | 0 | 0 | 0 | 105.7 | S4 M8 | S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 2.73Å; S6-M8 PolarHBondContact O-N 2.73Å | ||
| 7 | I | 42.7 | Very low | 65.2 | Low | 133 Ų | 133 | 90.4 Ų | 90.4 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | trans | -63 | 92.8 | 168.3 | -57.7 | 171.1 | 0 | 0 | 0 | 104.5 | L5 | L5-I7 PolarHBondContact O-N 2.88Å; L5-I7 VanDerWaalsContact O-N 3.08Å | ||
| 8 | M | 43.1 | Very low | 67 | Low | 152 Ų | 152 | 88.2 Ų | 88.2 | 75% | 0.749 | 48% | 0.483 | S | S | * | . | trans | -52.5 | 150.3 | 158.1 | -68.5 | -173.2 | -173.2 | 0 | 0 | 106.3 | S6 E10 | S6-M8 PolarHBondContact O-N 2.73Å; M8-E10 WeakPolarHBondContact O-CG 3.35Å; M8-E10 PolarHBondContact O-N 2.82Å | ||
| 9 | A | 51.9 | Low | 68.6 | Low | 107 Ų | 107 | 85.9 Ų | 85.9 | 88% | 0.884 | 48% | 0.478 | S | S | * | . | trans | -56.2 | 87.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 10 | E | 67.3 | Low | 70 | Confident | 84 Ų | 84 | 88.9 Ų | 88.9 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | trans | -79.6 | 126.8 | -176.3 | -83.4 | 179.7 | 165.6 | 0 | 0 | 107.3 | M8 N12 I30 Y135 | M8-E10 WeakPolarHBondContact O-CG 3.35Å; M8-E10 PolarHBondContact O-N 2.82Å; E10-N12 PolarHBondContact O-N 3.5Å; E10-I30 HydrophobicContact CB-CD1 4.03Å; E10-I30 VanDerWaalsContact O-CD1 3.26Å; E10-I30 WeakPolarHBondContact O-CD1 3.34Å; E10-Y135 HydrophobicContact CB-CE2 4.08Å; E10-Y135 WeakPolarHBondContact OE2-CE2 3.33Å; E10-Y135 PolarHBondContact OE2-OH 3.37Å | ||
| 11 | E | 90.1 | Very high | 71.3 | Confident | 115 Ų | 115 | 87.2 Ų | 87.2 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | trans | -70.2 | 128.4 | 177.1 | -65.6 | 176.8 | 162.2 | 0 | 0 | 109.7 | L13 N27 R134 | E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 3.28Å; E11-N27 VanDerWaalsContact C-OD1 3.32Å; E11-N27 VanDerWaalsContact CA-OD1 3.25Å; E11-N27 WeakPolarHBondContact CA-OD1 3.18Å; E11-N27 WeakPolarHBondContact CB-OD1 3.31Å; E11-R134 WeakPolarHBondContact O-CG 3.33Å | ||
| 12 | N | 97.7 | Very high | 74.4 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.027 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 64.8 | 167.8 | -167.8 | 14 | 0 | 0 | 0 | 110.7 | E10 S14 N27 R28 P29 I30 R134 Y135 | E10-N12 PolarHBondContact O-N 3.5Å; N12-S14 PolarHBondContact O-N 3.04Å; N12-S14 PolarHBondContact O-OG 3.09Å; N12-N27 PolarHBondContact N-OD1 2.73Å; N12-R28 VanDerWaalsContact CB-O 3.27Å; N12-R28 WeakPolarHBondContact CB-O 3.25Å; N12-R28 PolarHBondContact O-N 3.35Å; N12-P29 PolarHBondContact ND2-O 3.31Å; N12-I30 HydrophobicContact CB-CG1 4.02Å; N12-R134 PolarHBondContact OD1-N 3.44Å; N12-Y135 PolarHBondContact ND2-O 2.96Å; N12-Y135 PolarHBondContact OD1-N 3.46Å; N12-Y135 PolarHBondContact OD1-O 3.46Å |
| 13 | L | 98.3 | Very high | 77.5 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 14% | 0.136 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 127.9 | 175.5 | -162.5 | 69.7 | 0 | 0 | 0 | 109.9 | E11 I25 C133 R134 L332 E333 | E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 3.28Å; L13-I25 HydrophobicContact CD1-CG2 3.51Å; L13-I25 HydrophobicContact CD2-CG2 3.59Å; L13-I25 HydrophobicContact CG-CG2 3.37Å; L13-C133 CarbonylContact O-C 3.18Å; L13-C133 WeakPolarHBondContact O-CA 3.19Å; L13-R134 HydrophobicContact CB-CG 4.06Å; L13-R134 PolarHBondContact O-N 3.13Å; L13-R134 VanDerWaalsContact O-N 3.13Å; L13-L332 HydrophobicContact CB-CD2 4.36Å; L13-L332 WeakPolarHBondContact O-CD2 3.38Å; L13-E333 HydrophobicContact CD2-CG 4.21Å |
| 14 | S | 98.8 | Very high | 80.4 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.014 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 143.4 | -170.9 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | N12 I25 E26 C133 | N12-S14 PolarHBondContact O-N 3.04Å; N12-S14 PolarHBondContact O-OG 3.09Å; S14-I25 WeakPolarHBondContact O-CA 3.31Å; S14-E26 PolarHBondContact N-O 2.88Å; S14-E26 PolarHBondContact O-N 3.29Å; S14-C133 WeakPolarHBondContact OG-CB 3.25Å |
| 15 | V | 98.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 108 | 174.5 | 178 | 0 | 0 | 0 | 0 | 108.7 | L23 R24 I25 V70 L71 L132 L332 A335 F339 | V15-L23 HydrophobicContact CG1-CD1 3.66Å; V15-L23 HydrophobicContact CG1-CD2 4.17Å; V15-L23 HydrophobicContact CG1-CG 3.99Å; V15-R24 WeakPolarHBondContact CA-O 3.03Å; V15-I25 HydrophobicContact CG2-CG1 4.45Å; V15-V70 WeakPolarHBondContact O-CA 3.21Å; V15-L71 PolarHBondContact O-N 3.43Å; V15-L132 HydrophobicContact CB-CB 4.3Å; V15-L132 HydrophobicContact CB-CD2 3.58Å; V15-L132 HydrophobicContact CB-CG 3.9Å; V15-L132 HydrophobicContact CG1-CD2 3.78Å; V15-L132 HydrophobicContact CG2-CD2 3.75Å; V15-L132 HydrophobicContact CG2-CG 3.86Å; V15-L132 PolarHBondContact N-O 2.91Å; V15-L332 HydrophobicContact CG2-CD1 3.59Å; V15-L332 HydrophobicContact CG2-CG 4.42Å; V15-A335 HydrophobicContact CB-CB 4.48Å; V15-A335 HydrophobicContact CG1-CB 4.17Å; V15-A335 HydrophobicContact CG2-CB 3.44Å; V15-A335 VanDerWaalsContact CG2-CB 3.44Å; V15-F339 HydrophobicContact CG1-CE2 4.28Å |
| 16 | V | 98.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.9 | -169.4 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | R24 E26 P68 M69 V70 | V16-R24 PolarHBondContact N-O 3.39Å; V16-R24 PolarHBondContact O-N 3.1Å; V16-E26 HydrophobicContact CB-CG 4.1Å; V16-E26 HydrophobicContact CG2-CG 3.58Å; V16-E26 WeakPolarHBondContact CG2-OE1 3.43Å; V16-P68 HydrophobicContact CG1-CB 3.81Å; V16-M69 WeakPolarHBondContact CA-O 3.37Å; V16-V70 HydrophobicContact CG2-CG2 4.06Å |
| 17 | L | 98.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.9 | 169.9 | -176.8 | 66.8 | 0 | 0 | 0 | 109.3 | A19 L23 Y54 W55 L65 P68 M69 L71 | L17-A19 WeakPolarHBondContact CD1-O 3.4Å; L17-L23 HydrophobicContact CB-CD1 4.45Å; L17-L23 HydrophobicContact CD1-CD1 4.47Å; L17-Y54 WeakPolarHBondContact CD2-O 3.29Å; L17-W55 HydrophobicContact CD1-CB 4.18Å; L17-W55 HydrophobicContact CD1-CG 4.46Å; L17-L65 HydrophobicContact CB-CD2 4.48Å; L17-L65 HydrophobicContact CD2-CD1 4.45Å; L17-L65 HydrophobicContact CD2-CD2 3.77Å; L17-L65 HydrophobicContact CG-CD2 3.69Å; L17-P68 VanDerWaalsContact O-CA 3.27Å; L17-P68 WeakPolarHBondContact O-CA 3.03Å; L17-M69 PolarHBondContact N-O 3.03Å; L17-M69 PolarHBondContact O-N 3.17Å; L17-L71 HydrophobicContact CB-CD1 4.19Å; L17-L71 HydrophobicContact CB-CD2 4.09Å; L17-L71 HydrophobicContact CB-CG 4.06Å; L17-L71 HydrophobicContact CD2-CD2 4.22Å |
| 18 | H | 98.3 | Very high | 91.4 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -40.3 | 179.3 | -82.1 | -102.2 | 0 | 0 | 0 | 112.3 | D22 E26 P68 | H18-D22 HydrophobicContact CB-CB 4.35Å; H18-D22 PolarHBondContact N-O 2.89Å; H18-E26 IonicContact CD2-OE2 2.7Å; H18-E26 IonicContact CE1-OE2 2.77Å; H18-E26 PolarHBondContact CE1-OE2 3.15Å; H18-E26 IonicContact NE2-OE1 3.48Å; H18-E26 IonicContact NE2-OE2 3.36Å; H18-E26 PolarHBondContact NE2-OE2 3.22Å; H18-P68 WeakPolarHBondContact ND1-CG 3.38Å |
| 19 | A | 97.3 | Very high | 93.9 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L17 G21 D22 | L17-A19 WeakPolarHBondContact CD1-O 3.4Å; A19-G21 PolarHBondContact O-N 2.98Å; A19-G21 VanDerWaalsContact O-N 3.17Å; A19-D22 HydrophobicContact CB-CB 4.16Å; A19-D22 PolarHBondContact O-N 3.47Å |
| 20 | K | 97 | Very high | 96.1 | Very high | 145 Ų | 145 | 55.5 Ų | 55.5 | 63% | 0.63 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 123.7 | 169.5 | 174.5 | -178.9 | 168.2 | -177.4 | 0 | 110.3 | D22 Q56 | K20-D22 PolarHBondContact O-N 3.47Å; K20-Q56 WeakPolarHBondContact CE-O 3.47Å; K20-Q56 VanDerWaalsContact CG-O 3.31Å; K20-Q56 WeakPolarHBondContact CG-O 3.38Å |
| 21 | G | 97 | Very high | 97.6 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 55% | 0.546 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | -4.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A19 W55 | A19-G21 PolarHBondContact O-N 2.98Å; A19-G21 VanDerWaalsContact O-N 3.17Å; G21-W55 PolarHBondContact N-O 2.95Å; G21-W55 PolarHBondContact O-NE1 3.22Å |
| 22 | D | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 81.9 | -173.1 | -170.8 | 2.5 | 0 | 0 | 0 | 111.1 | H18 A19 K20 R24 | H18-D22 HydrophobicContact CB-CB 4.35Å; H18-D22 PolarHBondContact N-O 2.89Å; A19-D22 HydrophobicContact CB-CB 4.16Å; A19-D22 PolarHBondContact O-N 3.47Å; K20-D22 PolarHBondContact O-N 3.47Å; D22-R24 WeakPolarHBondContact OD1-CG 3.33Å; D22-R24 IonicContact OD1-CZ 3.89Å; D22-R24 IonicContact OD1-NE 3.93Å; D22-R24 PolarHBondContact OD1-NE 2.98Å; D22-R24 IonicContact OD1-NH2 2.67Å; D22-R24 PolarHBondContact OD1-NH2 3.45Å; D22-R24 IonicContact OD2-CZ 2.63Å; D22-R24 IonicContact OD2-NE 2.75Å; D22-R24 PolarHBondContact OD2-NE 3.28Å; D22-R24 IonicContact OD2-NH2 3.72Å; D22-R24 PolarHBondContact OD2-NH2 2.95Å |
| 23 | L | 97.9 | Very high | 98 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.9 | 176.8 | -169 | 72.1 | 0 | 0 | 0 | 109.6 | V15 L17 L71 F339 | V15-L23 HydrophobicContact CG1-CD1 3.66Å; V15-L23 HydrophobicContact CG1-CD2 4.17Å; V15-L23 HydrophobicContact CG1-CG 3.99Å; L17-L23 HydrophobicContact CB-CD1 4.45Å; L17-L23 HydrophobicContact CD1-CD1 4.47Å; L23-L71 HydrophobicContact CD1-CD1 3.53Å; L23-L71 HydrophobicContact CD1-CG 4.47Å; L23-F339 HydrophobicContact CD2-CB 4.15Å; L23-F339 HydrophobicContact CD2-CD1 3.93Å; L23-F339 HydrophobicContact CD2-CD2 3.9Å; L23-F339 HydrophobicContact CD2-CE1 4.32Å; L23-F339 HydrophobicContact CD2-CE2 4.28Å; L23-F339 HydrophobicContact CD2-CG 3.71Å; L23-F339 HydrophobicContact CD2-CZ 4.48Å |
| 24 | R | 98.3 | Very high | 98 | Very high | 120 Ų | 120 | 54.5 Ų | 54.5 | 45% | 0.453 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.5 | -177.3 | -55.7 | -172.6 | -170.5 | -178.8 | 4.1 | 111.1 | V15 V16 D22 | V15-R24 WeakPolarHBondContact CA-O 3.03Å; V16-R24 PolarHBondContact N-O 3.39Å; V16-R24 PolarHBondContact O-N 3.1Å; D22-R24 WeakPolarHBondContact OD1-CG 3.33Å; D22-R24 IonicContact OD1-CZ 3.89Å; D22-R24 IonicContact OD1-NE 3.93Å; D22-R24 PolarHBondContact OD1-NE 2.98Å; D22-R24 IonicContact OD1-NH2 2.67Å; D22-R24 PolarHBondContact OD1-NH2 3.45Å; D22-R24 IonicContact OD2-CZ 2.63Å; D22-R24 IonicContact OD2-NE 2.75Å; D22-R24 PolarHBondContact OD2-NE 3.28Å; D22-R24 IonicContact OD2-NH2 3.72Å; D22-R24 PolarHBondContact OD2-NH2 2.95Å |
| 25 | I | 98.1 | Very high | 98 | Very high | 68 Ų | 68 | 58 Ų | 58 | 35% | 0.349 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.7 | 168 | -53.8 | -178.9 | 0 | 0 | 0 | 106.3 | L13 S14 V15 E333 A335 | L13-I25 HydrophobicContact CD1-CG2 3.51Å; L13-I25 HydrophobicContact CD2-CG2 3.59Å; L13-I25 HydrophobicContact CG-CG2 3.37Å; S14-I25 WeakPolarHBondContact O-CA 3.31Å; V15-I25 HydrophobicContact CG2-CG1 4.45Å; I25-E333 VanDerWaalsContact CD1-O 3.27Å; I25-E333 WeakPolarHBondContact CD1-O 3.17Å; I25-A335 HydrophobicContact CD1-CB 4.1Å; I25-A335 HydrophobicContact CG1-CB 4.47Å |
| 26 | E | 97.7 | Very high | 97.9 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 23% | 0.229 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.8 | -175.8 | 65.3 | -177.7 | -149.9 | 0 | 0 | 111.4 | S14 V16 H18 R28 | S14-E26 PolarHBondContact N-O 2.88Å; S14-E26 PolarHBondContact O-N 3.29Å; V16-E26 HydrophobicContact CB-CG 4.1Å; V16-E26 HydrophobicContact CG2-CG 3.58Å; V16-E26 WeakPolarHBondContact CG2-OE1 3.43Å; H18-E26 IonicContact CD2-OE2 2.7Å; H18-E26 IonicContact CE1-OE2 2.77Å; H18-E26 PolarHBondContact CE1-OE2 3.15Å; H18-E26 IonicContact NE2-OE1 3.48Å; H18-E26 IonicContact NE2-OE2 3.36Å; H18-E26 PolarHBondContact NE2-OE2 3.22Å; E26-R28 IonicContact OE1-CZ 2.74Å; E26-R28 IonicContact OE1-NE 3.41Å; E26-R28 PolarHBondContact OE1-NE 3.02Å; E26-R28 IonicContact OE1-NH2 2.83Å; E26-R28 PolarHBondContact OE1-NH2 3.46Å |
| 27 | N | 97.9 | Very high | 97.9 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 49% | 0.492 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 137.5 | 175.8 | -169.7 | 53.1 | 0 | 0 | 0 | 110.7 | E11 N12 | E11-N27 VanDerWaalsContact C-OD1 3.32Å; E11-N27 VanDerWaalsContact CA-OD1 3.25Å; E11-N27 WeakPolarHBondContact CA-OD1 3.18Å; E11-N27 WeakPolarHBondContact CB-OD1 3.31Å; N12-N27 PolarHBondContact N-OD1 2.73Å |
| 28 | R | 97.4 | Very high | 98 | Very high | 64 Ų | 64 | 64.7 Ų | 64.7 | 24% | 0.242 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 166 | 170 | -69.9 | -65.1 | -178.8 | 113.1 | -5.7 | 110.6 | N12 E26 | N12-R28 VanDerWaalsContact CB-O 3.27Å; N12-R28 WeakPolarHBondContact CB-O 3.25Å; N12-R28 PolarHBondContact O-N 3.35Å; E26-R28 IonicContact OE1-CZ 2.74Å; E26-R28 IonicContact OE1-NE 3.41Å; E26-R28 PolarHBondContact OE1-NE 3.02Å; E26-R28 IonicContact OE1-NH2 2.83Å; E26-R28 PolarHBondContact OE1-NH2 3.46Å |
| 29 | P | 97.3 | Very high | 98 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 148.1 | 167 | -22.2 | 34.6 | 0 | 0 | 0 | 110.9 | N12 P31 | N12-P29 PolarHBondContact ND2-O 3.31Å; P29-P31 WeakPolarHBondContact O-CD 3.43Å |
| 30 | I | 97.9 | Very high | 98.1 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 123.3 | 165.3 | -64.5 | 175.6 | 0 | 0 | 0 | 107.3 | E10 N12 L39 Y135 | E10-I30 HydrophobicContact CB-CD1 4.03Å; E10-I30 VanDerWaalsContact O-CD1 3.26Å; E10-I30 WeakPolarHBondContact O-CD1 3.34Å; N12-I30 HydrophobicContact CB-CG1 4.02Å; I30-L39 HydrophobicContact CG2-CD1 4.41Å; I30-L39 HydrophobicContact CG2-CD2 4.12Å; I30-Y135 HydrophobicContact CD1-CD2 3.96Å; I30-Y135 HydrophobicContact CD1-CE2 4.21Å; I30-Y135 HydrophobicContact CG1-CD2 3.96Å; I30-Y135 HydrophobicContact CG1-CG 4.41Å; I30-Y135 HydrophobicContact CG2-CG 4.28Å |
| 31 | P | 97.5 | Very high | 98.1 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 24% | 0.24 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 148.4 | 178.7 | 28.2 | -32.5 | 0 | 0 | 0 | 111.7 | P29 L39 T137 | P29-P31 WeakPolarHBondContact O-CD 3.43Å; P31-L39 HydrophobicContact CG-CD1 3.92Å; P31-L39 WeakPolarHBondContact O-CD1 3.48Å; P31-T137 HydrophobicContact CB-CG2 3.69Å; P31-T137 HydrophobicContact CG-CG2 3.82Å |
| 32 | E | 97.8 | Very high | 98.2 | Very high | 128 Ų | 128 | 52.9 Ų | 52.9 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -98.2 | 128.4 | 172.4 | -75.7 | -65.2 | 158.4 | 0 | 0 | 109.7 | G34 K81 | E32-G34 PolarHBondContact O-N 2.9Å; E32-K81 IonicContact OE1-NZ 3.68Å; E32-K81 IonicContact OE2-NZ 3.2Å; E32-K81 PolarHBondContact OE2-NZ 3.17Å |
| 33 | P | 98.3 | Very high | 98.3 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 13% | 0.13 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 134 | -178.1 | 27.4 | -31.3 | 0 | 0 | 0 | 110.8 | D37 L39 K81 T137 | P33-D37 HydrophobicContact CB-CB 4.03Å; P33-L39 HydrophobicContact CB-CB 4.45Å; P33-L39 HydrophobicContact CG-CB 4.06Å; P33-K81 HydrophobicContact CG-CB 4.3Å; P33-K81 HydrophobicContact CG-CD 3.98Å; P33-K81 HydrophobicContact CG-CG 3.99Å; P33-T137 HydrophobicContact CB-CG2 4.02Å |
| 34 | G | 98.4 | Very high | 98.3 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 24% | 0.237 | 26% | 0.258 | C | S | . | . | trans | -66.3 | 176.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E32 N36 D37 G83 | E32-G34 PolarHBondContact O-N 2.9Å; G34-N36 PolarHBondContact O-N 3.21Å; G34-N36 VanDerWaalsContact O-N 3.11Å; G34-D37 PolarHBondContact N-OD2 3.02Å; G34-D37 PolarHBondContact O-N 3.22Å; G34-G83 VanDerWaalsContact O-CA 3.26Å; G34-G83 WeakPolarHBondContact O-CA 3.42Å | ||
| 35 | P | 98.6 | Very high | 98.4 | Very high | 77 Ų | 77 | 43.2 Ų | 43.2 | 50% | 0.5 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -34.1 | -175.3 | -28.3 | 35.8 | 0 | 0 | 0 | 114.9 | G83 S84 A85 | P35-G83 CarbonylContact O-C 3.6Å; P35-G83 WeakPolarHBondContact O-CA 3.35Å; P35-S84 PolarHBondContact O-N 3.34Å; P35-A85 HydrophobicContact CB-CB 4.33Å; P35-A85 WeakPolarHBondContact O-CA 3.37Å; P35-A85 VanDerWaalsContact O-CB 3.32Å; P35-A85 WeakPolarHBondContact O-CB 3.44Å; P35-A85 PolarHBondContact O-N 3.01Å |
| 36 | N | 98.6 | Very high | 98.4 | Very high | 92 Ų | 92 | 40 Ų | 40 | 49% | 0.492 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 6.7 | -177.9 | -60.9 | -59.4 | 0 | 0 | 0 | 113.6 | G34 A85 A140 | G34-N36 PolarHBondContact O-N 3.21Å; G34-N36 VanDerWaalsContact O-N 3.11Å; N36-A85 WeakPolarHBondContact OD1-CB 3.33Å; N36-A140 WeakPolarHBondContact O-CB 3.35Å; N36-A140 PolarHBondContact O-N 3.32Å |
| 37 | D | 98.8 | Very high | 98.4 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 25% | 0.251 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 163.5 | -174 | -57.6 | -35.3 | 0 | 0 | 0 | 111.2 | P33 G34 G83 V86 H138 N139 | P33-D37 HydrophobicContact CB-CB 4.03Å; G34-D37 PolarHBondContact N-OD2 3.02Å; G34-D37 PolarHBondContact O-N 3.22Å; D37-G83 PolarHBondContact O-N 2.86Å; D37-V86 WeakPolarHBondContact O-CG2 3.39Å; D37-H138 CarbonylContact C-O 3.57Å; D37-H138 VanDerWaalsContact CA-O 3.25Å; D37-H138 WeakPolarHBondContact CA-O 3.41Å; D37-H138 WeakPolarHBondContact CB-O 3.41Å; D37-N139 WeakPolarHBondContact OD1-CA 3.32Å |
| 38 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 142.7 | 169.5 | -65 | 0 | 0 | 0 | 0 | 109.4 | L40 V79 K81 V82 V86 L89 T137 H138 A140 C143 | V38-L40 HydrophobicContact CB-CD2 4.27Å; V38-L40 HydrophobicContact CG2-CD1 4.45Å; V38-L40 HydrophobicContact CG2-CD2 3.61Å; V38-L40 HydrophobicContact CG2-CG 4.01Å; V38-V79 HydrophobicContact CB-CG1 4.32Å; V38-V79 HydrophobicContact CG1-CG1 4.38Å; V38-K81 WeakPolarHBondContact CA-O 3.43Å; V38-V82 HydrophobicContact CG1-CB 4.34Å; V38-V82 HydrophobicContact CG1-CG1 3.89Å; V38-V86 HydrophobicContact CG1-CG1 4.12Å; V38-V86 HydrophobicContact CG1-CG2 4.39Å; V38-L89 HydrophobicContact CG1-CB 4.35Å; V38-L89 HydrophobicContact CG1-CD1 3.98Å; V38-T137 VanDerWaalsContact O-CA 3.26Å; V38-T137 WeakPolarHBondContact O-CA 3.36Å; V38-H138 PolarHBondContact N-O 3.08Å; V38-H138 PolarHBondContact O-N 3.06Å; V38-A140 HydrophobicContact CG1-CB 3.89Å; V38-C143 HydrophobicContact CG2-CB 4.18Å |
| 39 | L | 98.9 | Very high | 98.2 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.2 | 164.9 | -178.1 | 61.6 | 0 | 0 | 0 | 108.1 | I30 P31 P33 V80 K81 T137 | I30-L39 HydrophobicContact CG2-CD1 4.41Å; I30-L39 HydrophobicContact CG2-CD2 4.12Å; P31-L39 HydrophobicContact CG-CD1 3.92Å; P31-L39 WeakPolarHBondContact O-CD1 3.48Å; P33-L39 HydrophobicContact CB-CB 4.45Å; P33-L39 HydrophobicContact CG-CB 4.06Å; L39-V80 HydrophobicContact CB-CG2 3.94Å; L39-V80 HydrophobicContact CD2-CG2 3.7Å; L39-V80 HydrophobicContact CG-CG2 3.52Å; L39-V80 WeakPolarHBondContact O-CG2 3.49Å; L39-V80 PolarHBondContact O-N 2.9Å; L39-K81 HydrophobicContact CB-CB 3.93Å; L39-K81 HydrophobicContact CD2-CB 4.33Å; L39-K81 PolarHBondContact N-O 3.31Å; L39-K81 PolarHBondContact O-N 2.98Å; L39-T137 HydrophobicContact CB-CG2 4.39Å; L39-T137 HydrophobicContact CD1-CG2 3.86Å |
| 40 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.6 | -178.7 | -55 | 177.6 | 0 | 0 | 0 | 109.3 | V38 M42 R78 V79 V95 I97 Y135 Y136 H138 | V38-L40 HydrophobicContact CB-CD2 4.27Å; V38-L40 HydrophobicContact CG2-CD1 4.45Å; V38-L40 HydrophobicContact CG2-CD2 3.61Å; V38-L40 HydrophobicContact CG2-CG 4.01Å; L40-M42 HydrophobicContact CB-SD 4.08Å; L40-R78 CarbonylContact C-O 3.51Å; L40-R78 WeakPolarHBondContact CA-O 3.29Å; L40-V79 HydrophobicContact CD2-CB 4.37Å; L40-V79 HydrophobicContact CD2-CG2 3.75Å; L40-V95 HydrophobicContact CD1-CG2 4.23Å; L40-V95 HydrophobicContact CD2-CG2 3.62Å; L40-I97 HydrophobicContact CD1-CD1 3.4Å; L40-I97 HydrophobicContact CD1-CG1 3.63Å; L40-Y135 VanDerWaalsContact O-CA 3.29Å; L40-Y135 WeakPolarHBondContact O-CA 3.33Å; L40-Y136 WeakPolarHBondContact CB-O 3.33Å; L40-Y136 PolarHBondContact N-O 2.94Å; L40-Y136 PolarHBondContact O-N 3.34Å; L40-H138 HydrophobicContact CD1-CB 4.47Å |
| 41 | Q | 98.8 | Very high | 97.9 | Very high | 35 Ų | 35 | 27.9 Ų | 27.9 | 16% | 0.164 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 113.6 | 155.8 | -176.3 | 176.6 | 39.5 | 0 | 0 | 107.3 | G77 R78 V80 R134 Y135 | Q41-G77 CarbonylContact O-C 3.56Å; Q41-G77 WeakPolarHBondContact O-CA 3.24Å; Q41-R78 PolarHBondContact N-O 3.32Å; Q41-R78 PolarHBondContact O-N 2.98Å; Q41-V80 HydrophobicContact CB-CG1 3.66Å; Q41-R134 WeakPolarHBondContact CA-O 3.46Å; Q41-Y135 HydrophobicContact CB-CD1 4.3Å; Q41-Y135 HydrophobicContact CB-CE1 3.8Å; Q41-Y135 HydrophobicContact CG-CE1 4.01Å; Q41-Y135 PolarHBondContact NE2-OH 3.12Å |
| 42 | M | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 139.3 | -177.4 | -60.3 | -52.7 | -59.7 | 0 | 0 | 110.1 | L40 V45 A75 I97 N131 C133 R134 Y136 C354 D355 | L40-M42 HydrophobicContact CB-SD 4.08Å; M42-V45 HydrophobicContact CE-CG2 4.02Å; M42-A75 HydrophobicContact CE-CB 3.54Å; M42-I97 HydrophobicContact CE-CD1 3.51Å; M42-I97 HydrophobicContact SD-CD1 3.89Å; M42-N131 HydrophobicContact CE-CB 3.8Å; M42-N131 WeakPolarHBondContact CE-O 3.26Å; M42-N131 HydrophobicContact SD-CB 4.37Å; M42-C133 WeakPolarHBondContact CB-O 3.41Å; M42-C133 WeakPolarHBondContact CG-O 3.49Å; M42-R134 PolarHBondContact N-O 3.02Å; M42-Y136 VanDerWaalsContact SD-CB 3.58Å; M42-Y136 HydrophobicContact SD-CD1 4.41Å; M42-Y136 HydrophobicContact SD-CG 4.37Å; M42-C354 HydrophobicContact CB-CB 3.66Å; M42-C354 CarbonylContact O-C 3.59Å; M42-C354 VanDerWaalsContact O-C 3.31Å; M42-C354 VanDerWaalsContact O-CB 3.26Å; M42-C354 WeakPolarHBondContact O-CB 3.35Å; M42-D355 PolarHBondContact O-N 3.36Å |
| 43 | H | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -60.6 | -177 | -176.1 | -72.4 | 0 | 0 | 0 | 112.7 | A76 F152 K353 C354 D358 N360 | H43-A76 PolarHBondContact N-O 2.97Å; H43-F152 HydrophobicContact CB-CB 4.32Å; H43-F152 HydrophobicContact CB-CD1 3.83Å; H43-F152 HydrophobicContact CB-CD2 4.27Å; H43-F152 HydrophobicContact CB-CE1 4.07Å; H43-F152 HydrophobicContact CB-CE2 4.46Å; H43-F152 HydrophobicContact CB-CG 3.92Å; H43-F152 HydrophobicContact CB-CZ 4.34Å; H43-F152 AromaticContact CD2-CD2 3.41Å; H43-F152 VanDerWaalsContact CD2-CD2 3.41Å; H43-F152 WeakPolarHBondContact CD2-CD2 3.39Å; H43-F152 AromaticContact CD2-CE2 3.44Å; H43-F152 VanDerWaalsContact CD2-CE2 3.44Å; H43-F152 WeakPolarHBondContact CD2-CE2 3.37Å; H43-F152 AromaticContact CD2-CG 3.93Å; H43-F152 AromaticContact CE1-CD2 3.35Å; H43-F152 WeakPolarHBondContact CE1-CD2 3.17Å; H43-F152 AromaticContact CE1-CG 3.73Å; H43-F152 AromaticContact CG-CD1 3.92Å; H43-F152 AromaticContact CG-CD2 3.47Å; H43-F152 VanDerWaalsContact CG-CD2 3.47Å; H43-F152 AromaticContact CG-CE2 3.84Å; H43-F152 AromaticContact CG-CG 3.48Å; H43-F152 VanDerWaalsContact CG-CG 3.48Å; H43-F152 WeakPolarHBondContact ND1-CB 3.36Å; H43-F152 AromaticContact ND1-CD2 3.47Å; H43-F152 WeakPolarHBondContact ND1-CD2 3.42Å; H43-F152 AromaticContact ND1-CG 3.39Å; H43-F152 WeakPolarHBondContact ND1-CG 3.5Å; H43-F152 AromaticContact NE2-CD2 3.3Å; H43-F152 VanDerWaalsContact NE2-CD2 3.3Å; H43-F152 WeakPolarHBondContact NE2-CD2 3.08Å; H43-F152 AromaticContact NE2-CE2 3.63Å; H43-K353 CarbonylContact O-C 3.31Å; H43-K353 WeakPolarHBondContact O-CA 3.15Å; H43-C354 PolarHBondContact O-N 3.46Å; H43-D358 VanDerWaalsContact NE2-CG 3.3Å; H43-D358 PolarHBondContact NE2-O 3.39Å; H43-D358 IonicContact NE2-OD1 2.93Å; H43-D358 IonicContact NE2-OD2 2.84Å; H43-D358 PolarHBondContact NE2-OD2 2.97Å; H43-N360 PolarHBondContact CE1-O 2.85Å; H43-N360 VanDerWaalsContact CE1-O 3.24Å |
| 44 | S | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 129.8 | -179.7 | -61.5 | 0 | 0 | 0 | 0 | 109 | A75 A76 F152 L352 K353 | S44-A75 WeakPolarHBondContact O-CA 3.22Å; S44-A76 PolarHBondContact N-O 3.02Å; S44-A76 VanDerWaalsContact N-O 3.16Å; S44-A76 PolarHBondContact O-N 3.28Å; S44-F152 WeakPolarHBondContact OG-CB 3.28Å; S44-L352 WeakPolarHBondContact CA-O 3.48Å; S44-K353 PolarHBondContact OG-NZ 3.46Å |
| 45 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 123.1 | 173.2 | -173 | 0 | 0 | 0 | 0 | 109.6 | M42 E74 A75 L132 L352 | M42-V45 HydrophobicContact CE-CG2 4.02Å; V45-E74 CarbonylContact C-O 3.57Å; V45-E74 VanDerWaalsContact CA-O 3.28Å; V45-E74 WeakPolarHBondContact CA-O 3.29Å; V45-A75 HydrophobicContact CB-CB 4.42Å; V45-A75 HydrophobicContact CG1-CB 4.26Å; V45-A75 HydrophobicContact CG2-CB 3.85Å; V45-L132 HydrophobicContact CB-CD1 3.48Å; V45-L132 VanDerWaalsContact CB-CD1 3.48Å; V45-L132 HydrophobicContact CG1-CB 4.49Å; V45-L132 HydrophobicContact CG1-CD1 3.56Å; V45-L132 HydrophobicContact CG2-CD1 3.99Å; V45-L352 PolarHBondContact N-O 3.2Å; V45-L352 PolarHBondContact O-N 3.14Å |
| 46 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 140.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E74 | G46-E74 PolarHBondContact N-O 3.3Å |
| 47 | I | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -85.6 | 127.1 | 170.1 | -54.6 | 176.3 | 0 | 0 | 0 | 108.4 | D51 V52 A338 F339 T342 K349 V350 L352 | I47-D51 HydrophobicContact CG2-CB 4.31Å; I47-V52 HydrophobicContact CG2-CG2 4Å; I47-A338 HydrophobicContact CD1-CB 3.56Å; I47-F339 HydrophobicContact CD1-CD2 3.72Å; I47-F339 HydrophobicContact CD1-CE2 3.92Å; I47-F339 HydrophobicContact CD1-CG 4.45Å; I47-F339 HydrophobicContact CG1-CE2 4.24Å; I47-F339 HydrophobicContact CG2-CE1 4.43Å; I47-F339 HydrophobicContact CG2-CE2 4.43Å; I47-F339 HydrophobicContact CG2-CZ 4.32Å; I47-T342 HydrophobicContact CG2-CG2 4Å; I47-K349 PolarHBondContact O-NZ 3.49Å; I47-V350 HydrophobicContact CD1-CB 4.38Å; I47-V350 HydrophobicContact CD1-CG1 4.07Å; I47-V350 PolarHBondContact N-O 3.35Å; I47-L352 HydrophobicContact CD1-CD1 3.76Å; I47-L352 HydrophobicContact CD1-CG 4.18Å; I47-L352 HydrophobicContact CG1-CD1 3.97Å; I47-L352 HydrophobicContact CG1-CG 4.43Å |
| 48 | C | 96.4 | Very high | 97.2 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 16% | 0.155 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -98.2 | 160.1 | 172.8 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | S50 D51 V52 H73 E74 | C48-S50 WeakPolarHBondContact CB-OG 3.32Å; C48-S50 PolarHBondContact O-N 2.85Å; C48-S50 PolarHBondContact SG-OG 3.16Å; C48-S50 VanDerWaalsContact SG-OG 3.4Å; C48-D51 WeakPolarHBondContact CB-OD2 3.39Å; C48-D51 PolarHBondContact N-OD2 2.94Å; C48-D51 PolarHBondContact O-N 3.22Å; C48-V52 PolarHBondContact O-N 3.29Å; C48-H73 WeakPolarHBondContact CB-CE1 3.43Å; C48-H73 WeakPolarHBondContact CB-NE2 3.33Å; C48-E74 HydrophobicContact CB-CG 4.48Å; C48-E74 VanDerWaalsContact CB-OE1 3.26Å; C48-E74 WeakPolarHBondContact CB-OE1 3.34Å |
| 49 | G | 93.3 | Very high | 96.9 | Very high | 51 Ų | 51 | 27.2 Ų | 27.2 | 53% | 0.526 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59 | -27.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V52 H53 | G49-V52 PolarHBondContact O-N 2.96Å; G49-H53 VanDerWaalsContact O-CB 3.31Å; G49-H53 WeakPolarHBondContact O-CB 3.45Å; G49-H53 PolarHBondContact O-N 3.12Å |
| 50 | S | 93.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 28.1 Ų | 28.1 | 23% | 0.231 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 175.1 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | C48 V52 H53 Y54 H73 | C48-S50 WeakPolarHBondContact CB-OG 3.32Å; C48-S50 PolarHBondContact O-N 2.85Å; C48-S50 PolarHBondContact SG-OG 3.16Å; C48-S50 VanDerWaalsContact SG-OG 3.4Å; S50-V52 VanDerWaalsContact C-N 3.31Å; S50-V52 PolarHBondContact O-N 2.93Å; S50-H53 PolarHBondContact O-N 3.11Å; S50-Y54 VanDerWaalsContact O-CD2 3.22Å; S50-Y54 WeakPolarHBondContact O-CD2 3.42Å; S50-Y54 PolarHBondContact O-N 3.48Å; S50-H73 PolarHBondContact OG-CE1 3.39Å; S50-H73 PolarHBondContact OG-NE2 2.89Å |
| 51 | D | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 175.7 | -59 | -68.8 | 0 | 0 | 0 | 110.7 | I47 C48 Y54 W55 L71 G72 H73 F339 | I47-D51 HydrophobicContact CG2-CB 4.31Å; C48-D51 WeakPolarHBondContact CB-OD2 3.39Å; C48-D51 PolarHBondContact N-OD2 2.94Å; C48-D51 PolarHBondContact O-N 3.22Å; D51-Y54 PolarHBondContact O-N 3.32Å; D51-W55 PolarHBondContact O-N 3.17Å; D51-L71 HydrophobicContact CB-CD1 4.46Å; D51-G72 PolarHBondContact OD1-N 3.48Å; D51-H73 IonicContact OD1-CE1 2.79Å; D51-H73 IonicContact OD1-ND1 3.91Å; D51-H73 PolarHBondContact OD1-ND1 3.01Å; D51-H73 IonicContact OD2-CE1 2.67Å; D51-H73 PolarHBondContact OD2-CE1 3.27Å; D51-H73 IonicContact OD2-ND1 2.76Å; D51-F339 HydrophobicContact CB-CE1 3.87Å; D51-F339 HydrophobicContact CB-CZ 3.98Å |
| 52 | V | 96.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 111 | I47 C48 G49 S50 W55 Q56 F339 T342 R343 | I47-V52 HydrophobicContact CG2-CG2 4Å; C48-V52 PolarHBondContact O-N 3.29Å; G49-V52 PolarHBondContact O-N 2.96Å; S50-V52 VanDerWaalsContact C-N 3.31Å; S50-V52 PolarHBondContact O-N 2.93Å; V52-W55 HydrophobicContact CG1-CE3 4.32Å; V52-W55 WeakPolarHBondContact O-CB 3.41Å; V52-W55 PolarHBondContact O-N 3.41Å; V52-Q56 HydrophobicContact CG1-CG 4.22Å; V52-Q56 WeakPolarHBondContact O-CB 3.47Å; V52-Q56 WeakPolarHBondContact O-CG 3.4Å; V52-Q56 PolarHBondContact O-N 3.36Å; V52-F339 HydrophobicContact CG2-CD1 4.17Å; V52-T342 HydrophobicContact CG2-CG2 3.72Å; V52-R343 HydrophobicContact CG1-CB 3.89Å; V52-R343 HydrophobicContact CG1-CG 4Å |
| 53 | H | 94.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 40.1 Ų | 40.1 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.9 | -168.3 | -62.7 | 0 | 0 | 0 | 111.5 | G49 S50 W55 Q56 H57 R59 I60 | G49-H53 VanDerWaalsContact O-CB 3.31Å; G49-H53 WeakPolarHBondContact O-CB 3.45Å; G49-H53 PolarHBondContact O-N 3.12Å; S50-H53 PolarHBondContact O-N 3.11Å; H53-W55 VanDerWaalsContact C-N 3.33Å; H53-Q56 PolarHBondContact O-N 3.22Å; H53-H57 AromaticContact CD2-CD2 3.82Å; H53-H57 AromaticContact CE1-CD2 3.48Å; H53-H57 PolarHBondContact CE1-CD2 2.9Å; H53-H57 VanDerWaalsContact CE1-CD2 3.48Å; H53-H57 AromaticContact CE1-CG 3.74Å; H53-H57 AromaticContact CG-CD2 3.75Å; H53-H57 AromaticContact ND1-CD2 3.53Å; H53-H57 AromaticContact ND1-CG 3.95Å; H53-H57 AromaticContact NE2-CD2 3.66Å; H53-H57 WeakPolarHBondContact O-CB 3.49Å; H53-H57 PolarHBondContact O-CD2 2.87Å; H53-H57 PolarHBondContact O-N 3.48Å; H53-R59 PolarHBondContact CE1-O 3.09Å; H53-R59 PolarHBondContact ND1-O 3.29Å; H53-I60 HydrophobicContact CB-CD1 4.18Å; H53-I60 HydrophobicContact CB-CG1 4.2Å |
| 54 | Y | 97.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 171.8 | -80.1 | -59.6 | 0 | 0 | 0 | 111.4 | L17 S50 D51 Q56 G58 I60 F63 A124 P126 | L17-Y54 WeakPolarHBondContact CD2-O 3.29Å; S50-Y54 VanDerWaalsContact O-CD2 3.22Å; S50-Y54 WeakPolarHBondContact O-CD2 3.42Å; S50-Y54 PolarHBondContact O-N 3.48Å; D51-Y54 PolarHBondContact O-N 3.32Å; Y54-Q56 PolarHBondContact O-N 3.46Å; Y54-G58 WeakPolarHBondContact O-CA 3.5Å; Y54-G58 PolarHBondContact O-N 3.15Å; Y54-I60 HydrophobicContact CD1-CG1 4.19Å; Y54-I60 HydrophobicContact CD2-CD1 3.82Å; Y54-I60 HydrophobicContact CD2-CG1 4.32Å; Y54-I60 HydrophobicContact CE1-CB 4.14Å; Y54-I60 HydrophobicContact CE1-CD1 4.26Å; Y54-I60 HydrophobicContact CE1-CG1 3.85Å; Y54-I60 HydrophobicContact CE2-CD1 3.47Å; Y54-I60 VanDerWaalsContact CE2-CD1 3.47Å; Y54-I60 HydrophobicContact CE2-CG1 4.01Å; Y54-I60 HydrophobicContact CG-CD1 4.34Å; Y54-I60 HydrophobicContact CG-CG1 4.38Å; Y54-F63 HydrophobicContact CE1-CB 4.45Å; Y54-F63 WeakPolarHBondContact CE1-O 3.27Å; Y54-F63 VanDerWaalsContact OH-CB 3.27Å; Y54-F63 WeakPolarHBondContact OH-CB 3.33Å; Y54-A124 WeakPolarHBondContact CE2-O 3.4Å; Y54-P126 HydrophobicContact CD1-CG 4.23Å; Y54-P126 VanDerWaalsContact CE1-CD 3.45Å; Y54-P126 HydrophobicContact CE1-CG 3.73Å; Y54-P126 VanDerWaalsContact OH-CD 3.31Å; Y54-P126 WeakPolarHBondContact OH-CD 3.27Å |
| 55 | W | 97.8 | Very high | 94.6 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 12% | 0.121 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 176 | 172.8 | 46.7 | 0 | 0 | 0 | 112.6 | L17 G21 D51 V52 H53 F339 E340 R343 | L17-W55 HydrophobicContact CD1-CB 4.18Å; L17-W55 HydrophobicContact CD1-CG 4.46Å; G21-W55 PolarHBondContact N-O 2.95Å; G21-W55 PolarHBondContact O-NE1 3.22Å; D51-W55 PolarHBondContact O-N 3.17Å; V52-W55 HydrophobicContact CG1-CE3 4.32Å; V52-W55 WeakPolarHBondContact O-CB 3.41Å; V52-W55 PolarHBondContact O-N 3.41Å; H53-W55 VanDerWaalsContact C-N 3.33Å; W55-F339 HydrophobicContact CB-CD1 4.49Å; W55-F339 HydrophobicContact CD2-CD1 4.41Å; W55-F339 HydrophobicContact CE3-CB 4.19Å; W55-F339 AromaticContact CE3-CD1 3.97Å; W55-F339 HydrophobicContact CE3-CD1 3.97Å; W55-F339 HydrophobicContact CH2-CB 4.47Å; W55-F339 HydrophobicContact CZ3-CB 3.94Å; W55-E340 HydrophobicContact CH2-CG 4.08Å; W55-E340 VanDerWaalsContact CH2-OE1 3.27Å; W55-E340 WeakPolarHBondContact CH2-OE1 3.35Å; W55-R343 HydrophobicContact CZ3-CB 4.21Å; W55-R343 HydrophobicContact CZ3-CG 4.43Å |
| 56 | Q | 96.1 | Very high | 94.5 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 34% | 0.341 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -77.9 | -28.5 | -177.2 | -68.8 | -172.5 | -72.5 | 0 | 0 | 114.4 | K20 V52 H53 Y54 | K20-Q56 WeakPolarHBondContact CE-O 3.47Å; K20-Q56 VanDerWaalsContact CG-O 3.31Å; K20-Q56 WeakPolarHBondContact CG-O 3.38Å; V52-Q56 HydrophobicContact CG1-CG 4.22Å; V52-Q56 WeakPolarHBondContact O-CB 3.47Å; V52-Q56 WeakPolarHBondContact O-CG 3.4Å; V52-Q56 PolarHBondContact O-N 3.36Å; H53-Q56 PolarHBondContact O-N 3.22Å; Y54-Q56 PolarHBondContact O-N 3.46Å |
| 57 | H | 94.6 | Very high | 94.4 | Very high | 93 Ų | 93 | 58.8 Ų | 58.8 | 43% | 0.431 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -125.7 | -14 | -169.1 | -58.2 | -73.2 | 0 | 0 | 0 | 114.3 | H53 R59 | H53-H57 AromaticContact CD2-CD2 3.82Å; H53-H57 AromaticContact CE1-CD2 3.48Å; H53-H57 PolarHBondContact CE1-CD2 2.9Å; H53-H57 VanDerWaalsContact CE1-CD2 3.48Å; H53-H57 AromaticContact CE1-CG 3.74Å; H53-H57 AromaticContact CG-CD2 3.75Å; H53-H57 AromaticContact ND1-CD2 3.53Å; H53-H57 AromaticContact ND1-CG 3.95Å; H53-H57 AromaticContact NE2-CD2 3.66Å; H53-H57 WeakPolarHBondContact O-CB 3.49Å; H53-H57 PolarHBondContact O-CD2 2.87Å; H53-H57 PolarHBondContact O-N 3.48Å; H57-R59 PolarHBondContact O-N 2.96Å |
| 58 | G | 94.6 | Very high | 94.4 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 69.7 | 4.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y54 L65 | Y54-G58 WeakPolarHBondContact O-CA 3.5Å; Y54-G58 PolarHBondContact O-N 3.15Å; G58-L65 VanDerWaalsContact O-CB 3.23Å; G58-L65 WeakPolarHBondContact O-CB 3.16Å; G58-L65 PolarHBondContact O-N 3.13Å |
| 59 | R | 93 | Very high | 94.5 | Very high | 116 Ų | 116 | 60.1 Ų | 60.1 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 161.1 | -179.9 | 65.9 | -176.7 | -67.9 | -175.8 | -2 | 112.4 | H53 H57 G61 D62 F63 V64 | H53-R59 PolarHBondContact CE1-O 3.09Å; H53-R59 PolarHBondContact ND1-O 3.29Å; H57-R59 PolarHBondContact O-N 2.96Å; R59-G61 PolarHBondContact NE-O 2.88Å; R59-G61 PolarHBondContact NH2-O 3.18Å; R59-D62 IonicContact NH2-OD1 3.56Å; R59-F63 CarbonylContact C-O 3.59Å; R59-F63 WeakPolarHBondContact CA-O 3.44Å; R59-F63 WeakPolarHBondContact CB-O 3.34Å; R59-V64 HydrophobicContact CB-CB 4.32Å; R59-V64 HydrophobicContact CB-CG1 4.45Å; R59-V64 HydrophobicContact CB-CG2 3.97Å |
| 60 | I | 89.2 | Confident | 94.8 | Very high | 32 Ų | 32 | 58 Ų | 58 | 16% | 0.164 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 117.4 | 162.9 | -62.4 | 177.2 | 0 | 0 | 0 | 106.7 | H53 Y54 D62 F63 L279 | H53-I60 HydrophobicContact CB-CD1 4.18Å; H53-I60 HydrophobicContact CB-CG1 4.2Å; Y54-I60 HydrophobicContact CD1-CG1 4.19Å; Y54-I60 HydrophobicContact CD2-CD1 3.82Å; Y54-I60 HydrophobicContact CD2-CG1 4.32Å; Y54-I60 HydrophobicContact CE1-CB 4.14Å; Y54-I60 HydrophobicContact CE1-CD1 4.26Å; Y54-I60 HydrophobicContact CE1-CG1 3.85Å; Y54-I60 HydrophobicContact CE2-CD1 3.47Å; Y54-I60 VanDerWaalsContact CE2-CD1 3.47Å; Y54-I60 HydrophobicContact CE2-CG1 4.01Å; Y54-I60 HydrophobicContact CG-CD1 4.34Å; Y54-I60 HydrophobicContact CG-CG1 4.38Å; I60-D62 PolarHBondContact O-N 2.96Å; I60-F63 PolarHBondContact N-O 3.45Å; I60-F63 WeakPolarHBondContact O-CB 3.19Å; I60-F63 WeakPolarHBondContact O-CD2 3.48Å; I60-F63 PolarHBondContact O-N 3.4Å; I60-L279 HydrophobicContact CG2-CD1 4.27Å |
| 61 | G | 85.1 | Confident | 95 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 54% | 0.536 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | -129.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R59 F63 | R59-G61 PolarHBondContact NE-O 2.88Å; R59-G61 PolarHBondContact NH2-O 3.18Å; G61-F63 VanDerWaalsContact C-N 3.31Å; G61-F63 PolarHBondContact O-N 3.35Å |
| 62 | D | 87 | Confident | 95.1 | Very high | 148 Ų | 148 | 56.4 Ų | 56.4 | 79% | 0.791 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3.9 | 179.2 | -61.8 | -39.1 | 0 | 0 | 0 | 114.6 | R59 I60 V64 | R59-D62 IonicContact NH2-OD1 3.56Å; I60-D62 PolarHBondContact O-N 2.96Å; D62-V64 PolarHBondContact O-N 2.88Å; D62-V64 VanDerWaalsContact O-N 3.09Å |
| 63 | F | 91.9 | Very high | 95.2 | Very high | 88 Ų | 88 | 56.5 Ų | 56.5 | 39% | 0.386 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 92.4 | 174.8 | -56 | -76.2 | 0 | 0 | 0 | 109.3 | Y54 R59 I60 G61 T125 | Y54-F63 HydrophobicContact CE1-CB 4.45Å; Y54-F63 WeakPolarHBondContact CE1-O 3.27Å; Y54-F63 VanDerWaalsContact OH-CB 3.27Å; Y54-F63 WeakPolarHBondContact OH-CB 3.33Å; R59-F63 CarbonylContact C-O 3.59Å; R59-F63 WeakPolarHBondContact CA-O 3.44Å; R59-F63 WeakPolarHBondContact CB-O 3.34Å; I60-F63 PolarHBondContact N-O 3.45Å; I60-F63 WeakPolarHBondContact O-CB 3.19Å; I60-F63 WeakPolarHBondContact O-CD2 3.48Å; I60-F63 PolarHBondContact O-N 3.4Å; G61-F63 VanDerWaalsContact C-N 3.31Å; G61-F63 PolarHBondContact O-N 3.35Å; F63-T125 HydrophobicContact CB-CG2 4.14Å; F63-T125 HydrophobicContact CD1-CG2 3.45Å; F63-T125 VanDerWaalsContact CD1-CG2 3.45Å; F63-T125 HydrophobicContact CD2-CG2 4.44Å; F63-T125 HydrophobicContact CE1-CG2 3.93Å; F63-T125 HydrophobicContact CG-CG2 3.75Å |
| 64 | V | 95.7 | Very high | 95.4 | Very high | 56 Ų | 56 | 53 Ų | 53 | 34% | 0.339 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.1 | -176.9 | -176 | 0 | 0 | 0 | 0 | 110.6 | R59 D62 K66 P126 | R59-V64 HydrophobicContact CB-CB 4.32Å; R59-V64 HydrophobicContact CB-CG1 4.45Å; R59-V64 HydrophobicContact CB-CG2 3.97Å; D62-V64 PolarHBondContact O-N 2.88Å; D62-V64 VanDerWaalsContact O-N 3.09Å; V64-K66 PolarHBondContact O-N 3.46Å; V64-K66 VanDerWaalsContact O-N 3.17Å; V64-P126 WeakPolarHBondContact O-CB 3.37Å |
| 65 | L | 96.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | trans | -66.5 | 111.2 | 171.3 | -173 | 79.5 | 0 | 0 | 0 | 109.7 | L17 G58 K67 M69 P126 | L17-L65 HydrophobicContact CB-CD2 4.48Å; L17-L65 HydrophobicContact CD2-CD1 4.45Å; L17-L65 HydrophobicContact CD2-CD2 3.77Å; L17-L65 HydrophobicContact CG-CD2 3.69Å; G58-L65 VanDerWaalsContact O-CB 3.23Å; G58-L65 WeakPolarHBondContact O-CB 3.16Å; G58-L65 PolarHBondContact O-N 3.13Å; L65-K67 WeakPolarHBondContact CD1-O 3.06Å; L65-M69 HydrophobicContact CD1-CB 3.5Å; L65-M69 HydrophobicContact CD1-CE 4.33Å; L65-M69 HydrophobicContact CD1-SD 4.39Å; L65-P126 HydrophobicContact CB-CG 4.3Å; L65-P126 HydrophobicContact CD1-CG 4.2Å | ||
| 66 | K | 96.6 | Very high | 95.5 | Very high | 193 Ų | 193 | 51.2 Ų | 51.2 | 84% | 0.839 | 26% | 0.26 | S | S | * | . | trans | -106.7 | -16.3 | 178.8 | -66 | 179.3 | -177.1 | 177.7 | 0 | 113.7 | V64 | V64-K66 PolarHBondContact O-N 3.46Å; V64-K66 VanDerWaalsContact O-N 3.17Å | ||
| 67 | K | 97.2 | Very high | 95.7 | Very high | 120 Ų | 120 | 47.8 Ų | 47.8 | 52% | 0.522 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -148.5 | 158.4 | -179.6 | 55.9 | 172.2 | -179.6 | 166.4 | 0 | 108.7 | L65 M69 P127 | L65-K67 WeakPolarHBondContact CD1-O 3.06Å; K67-M69 PolarHBondContact O-N 3.26Å; K67-P127 WeakPolarHBondContact CE-O 3.37Å |
| 68 | P | 98.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 34% | 0.338 | 24% | 0.236 | S | C | . | . | trans | -54.3 | 135.6 | 176.9 | -26.3 | 35.1 | 0 | 0 | 0 | 111.7 | V16 L17 H18 | V16-P68 HydrophobicContact CG1-CB 3.81Å; L17-P68 VanDerWaalsContact O-CA 3.27Å; L17-P68 WeakPolarHBondContact O-CA 3.03Å; H18-P68 WeakPolarHBondContact ND1-CG 3.38Å | ||
| 69 | M | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 133.6 | -174 | -172.6 | -173.8 | 72.5 | 0 | 0 | 110.5 | V16 L17 L65 K67 L71 A124 P126 D128 D129 | V16-M69 WeakPolarHBondContact CA-O 3.37Å; L17-M69 PolarHBondContact N-O 3.03Å; L17-M69 PolarHBondContact O-N 3.17Å; L65-M69 HydrophobicContact CD1-CB 3.5Å; L65-M69 HydrophobicContact CD1-CE 4.33Å; L65-M69 HydrophobicContact CD1-SD 4.39Å; K67-M69 PolarHBondContact O-N 3.26Å; M69-L71 HydrophobicContact CE-CD2 3.78Å; M69-A124 HydrophobicContact CE-CB 4.33Å; M69-A124 WeakPolarHBondContact CE-O 3.3Å; M69-P126 HydrophobicContact CE-CG 3.89Å; M69-P126 VanDerWaalsContact SD-CA 3.53Å; M69-P126 HydrophobicContact SD-CB 4.04Å; M69-P126 HydrophobicContact SD-CG 3.61Å; M69-P126 VanDerWaalsContact SD-N 3.39Å; M69-D128 WeakPolarHBondContact CG-O 3.4Å; M69-D129 VanDerWaalsContact CA-OD1 3.24Å; M69-D129 WeakPolarHBondContact CA-OD1 3.32Å |
| 70 | V | 98.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 137.1 | 169.7 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | V15 V16 D129 G130 | V15-V70 WeakPolarHBondContact O-CA 3.21Å; V16-V70 HydrophobicContact CG2-CG2 4.06Å; V70-D129 HydrophobicContact CB-CB 4.04Å; V70-D129 HydrophobicContact CG2-CB 4.18Å; V70-D129 PolarHBondContact N-OD1 2.82Å; V70-G130 WeakPolarHBondContact CG1-O 3.42Å; V70-G130 WeakPolarHBondContact O-CA 3.39Å; V70-G130 PolarHBondContact O-N 2.57Å |
| 71 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -89.5 | -179.4 | 177 | -66.5 | -177.2 | 0 | 0 | 0 | 112.5 | V15 L17 L23 D51 M69 G130 N131 L132 F339 | V15-L71 PolarHBondContact O-N 3.43Å; L17-L71 HydrophobicContact CB-CD1 4.19Å; L17-L71 HydrophobicContact CB-CD2 4.09Å; L17-L71 HydrophobicContact CB-CG 4.06Å; L17-L71 HydrophobicContact CD2-CD2 4.22Å; L23-L71 HydrophobicContact CD1-CD1 3.53Å; L23-L71 HydrophobicContact CD1-CG 4.47Å; D51-L71 HydrophobicContact CB-CD1 4.46Å; M69-L71 HydrophobicContact CE-CD2 3.78Å; L71-G130 CarbonylContact O-C 3.43Å; L71-G130 WeakPolarHBondContact O-CA 3.4Å; L71-N131 PolarHBondContact O-N 3.27Å; L71-L132 WeakPolarHBondContact O-CB 3.22Å; L71-L132 PolarHBondContact O-N 3.3Å; L71-F339 HydrophobicContact CB-CZ 4.29Å; L71-F339 HydrophobicContact CD1-CE1 3.5Å; L71-F339 HydrophobicContact CD1-CZ 3.49Å; L71-F339 VanDerWaalsContact CD1-CZ 3.49Å | ||
| 72 | G | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | trans | 86.9 | 136.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D51 G130 N131 | D51-G72 PolarHBondContact OD1-N 3.48Å; G72-G130 CarbonylContact O-C 3.42Å; G72-G130 WeakPolarHBondContact O-CA 3.17Å; G72-N131 PolarHBondContact O-N 3.05Å; G72-N131 PolarHBondContact O-OD1 3.14Å; G72-N131 VanDerWaalsContact O-OD1 3.08Å | ||
| 73 | H | 98.9 | Very high | 98 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -149.6 | -11.8 | -179.5 | 52.6 | -80.2 | 0 | 0 | 0 | 114 | C48 S50 D51 A75 P99 F122 C123 N131 E159 | C48-H73 WeakPolarHBondContact CB-CE1 3.43Å; C48-H73 WeakPolarHBondContact CB-NE2 3.33Å; S50-H73 PolarHBondContact OG-CE1 3.39Å; S50-H73 PolarHBondContact OG-NE2 2.89Å; D51-H73 IonicContact OD1-CE1 2.79Å; D51-H73 IonicContact OD1-ND1 3.91Å; D51-H73 PolarHBondContact OD1-ND1 3.01Å; D51-H73 IonicContact OD2-CE1 2.67Å; D51-H73 PolarHBondContact OD2-CE1 3.27Å; D51-H73 IonicContact OD2-ND1 2.76Å; H73-A75 PolarHBondContact O-N 2.86Å; H73-P99 HydrophobicContact CB-CB 3.94Å; H73-P99 HydrophobicContact CB-CG 4.27Å; H73-F122 HydrophobicContact CB-CE1 4.27Å; H73-C123 HydrophobicContact CB-CB 3.6Å; H73-C123 WeakPolarHBondContact CB-O 3.2Å; H73-N131 PolarHBondContact N-OD1 3.22Å; H73-E159 IonicContact CD2-OE1 3.79Å | ||
| 74 | E | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 80.8 | 179.2 | -52.8 | -174.7 | 179.9 | 0 | 0 | 110.8 | V45 G46 C48 A156 E159 K349 | V45-E74 CarbonylContact C-O 3.57Å; V45-E74 VanDerWaalsContact CA-O 3.28Å; V45-E74 WeakPolarHBondContact CA-O 3.29Å; G46-E74 PolarHBondContact N-O 3.3Å; C48-E74 HydrophobicContact CB-CG 4.48Å; C48-E74 VanDerWaalsContact CB-OE1 3.26Å; C48-E74 WeakPolarHBondContact CB-OE1 3.34Å; E74-A156 WeakPolarHBondContact O-CB 3.24Å; E74-E159 HydrophobicContact CB-CB 3.91Å; E74-E159 HydrophobicContact CB-CG 4.17Å; E74-E159 HydrophobicContact CG-CB 4Å; E74-E159 HydrophobicContact CG-CG 3.88Å; E74-E159 WeakPolarHBondContact CG-OE2 3.27Å; E74-K349 IonicContact OE1-NZ 2.82Å; E74-K349 PolarHBondContact OE1-NZ 2.66Å; E74-K349 VanDerWaalsContact OE2-CE 3.31Å; E74-K349 WeakPolarHBondContact OE2-CE 3.1Å; E74-K349 IonicContact OE2-NZ 2.9Å; E74-K349 PolarHBondContact OE2-NZ 2.74Å |
| 75 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 154.3 | -161.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | M42 S44 V45 H73 I97 N131 | M42-A75 HydrophobicContact CE-CB 3.54Å; S44-A75 WeakPolarHBondContact O-CA 3.22Å; V45-A75 HydrophobicContact CB-CB 4.42Å; V45-A75 HydrophobicContact CG1-CB 4.26Å; V45-A75 HydrophobicContact CG2-CB 3.85Å; H73-A75 PolarHBondContact O-N 2.86Å; A75-I97 HydrophobicContact CB-CD1 3.96Å; A75-I97 PolarHBondContact O-N 3.09Å; A75-N131 WeakPolarHBondContact CB-ND2 3.28Å; A75-N131 WeakPolarHBondContact CB-OD1 3.4Å |
| 76 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 152.5 | 166 | 0 | 0 | 0 | 0 | 0 | 110.9 | H43 S44 V95 L146 F152 | H43-A76 PolarHBondContact N-O 2.97Å; S44-A76 PolarHBondContact N-O 3.02Å; S44-A76 VanDerWaalsContact N-O 3.16Å; S44-A76 PolarHBondContact O-N 3.28Å; A76-V95 VanDerWaalsContact CA-O 3.24Å; A76-V95 WeakPolarHBondContact CA-O 3.27Å; A76-V95 WeakPolarHBondContact CB-O 3.1Å; A76-L146 HydrophobicContact CB-CD1 4.36Å; A76-F152 HydrophobicContact CB-CB 4.45Å; A76-F152 HydrophobicContact CB-CD1 4.01Å; A76-F152 VanDerWaalsContact CB-O 3.26Å; A76-F152 WeakPolarHBondContact CB-O 3.47Å |
| 77 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | -179 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q41 V95 F152 | Q41-G77 CarbonylContact O-C 3.56Å; Q41-G77 WeakPolarHBondContact O-CA 3.24Å; G77-V95 PolarHBondContact N-O 3.41Å; G77-V95 WeakPolarHBondContact O-CG2 3.37Å; G77-V95 PolarHBondContact O-N 3.14Å; G77-F152 WeakPolarHBondContact O-CE1 3.46Å |
| 78 | R | 98.9 | Very high | 98.7 | Very high | 72 Ų | 72 | 36 Ų | 36 | 27% | 0.272 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.7 | 179.5 | -171.8 | 179.8 | -58.8 | -80.4 | 3.7 | 110 | L40 Q41 V80 G92 N93 | L40-R78 CarbonylContact C-O 3.51Å; L40-R78 WeakPolarHBondContact CA-O 3.29Å; Q41-R78 PolarHBondContact N-O 3.32Å; Q41-R78 PolarHBondContact O-N 2.98Å; R78-V80 PolarHBondContact O-N 3.46Å; R78-G92 PolarHBondContact NH1-O 2.81Å; R78-N93 CarbonylContact C-O 3.53Å; R78-N93 WeakPolarHBondContact CA-O 3.5Å |
| 79 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 125.3 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | V38 L40 V82 L89 P91 G92 N93 V95 | V38-V79 HydrophobicContact CB-CG1 4.32Å; V38-V79 HydrophobicContact CG1-CG1 4.38Å; L40-V79 HydrophobicContact CD2-CB 4.37Å; L40-V79 HydrophobicContact CD2-CG2 3.75Å; V79-V82 HydrophobicContact CG1-CG1 3.49Å; V79-V82 VanDerWaalsContact CG1-CG1 3.49Å; V79-L89 HydrophobicContact CG2-CD1 4.49Å; V79-P91 CarbonylContact O-C 3.21Å; V79-P91 VanDerWaalsContact O-CA 3.3Å; V79-P91 WeakPolarHBondContact O-CA 3.19Å; V79-G92 PolarHBondContact O-N 2.86Å; V79-N93 HydrophobicContact CB-CB 4.45Å; V79-N93 HydrophobicContact CG2-CB 4.2Å; V79-N93 PolarHBondContact N-O 2.88Å; V79-V95 HydrophobicContact CG2-CG1 3.88Å; V79-V95 HydrophobicContact CG2-CG2 4.29Å |
| 80 | V | 98.6 | Very high | 98.8 | Very high | 53 Ų | 53 | 39.8 Ų | 39.8 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -30.4 | 174.9 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | L39 Q41 R78 Y135 | L39-V80 HydrophobicContact CB-CG2 3.94Å; L39-V80 HydrophobicContact CD2-CG2 3.7Å; L39-V80 HydrophobicContact CG-CG2 3.52Å; L39-V80 WeakPolarHBondContact O-CG2 3.49Å; L39-V80 PolarHBondContact O-N 2.9Å; Q41-V80 HydrophobicContact CB-CG1 3.66Å; R78-V80 PolarHBondContact O-N 3.46Å; V80-Y135 HydrophobicContact CG2-CD1 4.4Å; V80-Y135 HydrophobicContact CG2-CE1 4.28Å |
| 81 | K | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 43 Ų | 43 | 40% | 0.404 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 150.1 | 175.3 | -171.7 | 178.1 | 177.9 | -179 | 0 | 109.5 | E32 P33 V38 L39 | E32-K81 IonicContact OE1-NZ 3.68Å; E32-K81 IonicContact OE2-NZ 3.2Å; E32-K81 PolarHBondContact OE2-NZ 3.17Å; P33-K81 HydrophobicContact CG-CB 4.3Å; P33-K81 HydrophobicContact CG-CD 3.98Å; P33-K81 HydrophobicContact CG-CG 3.99Å; V38-K81 WeakPolarHBondContact CA-O 3.43Å; L39-K81 HydrophobicContact CB-CB 3.93Å; L39-K81 HydrophobicContact CD2-CB 4.33Å; L39-K81 PolarHBondContact N-O 3.31Å; L39-K81 PolarHBondContact O-N 2.98Å |
| 82 | V | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 26% | 0.261 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.3 | 177 | -57.9 | 0 | 0 | 0 | 0 | 109.9 | V38 V79 V86 | V38-V82 HydrophobicContact CG1-CB 4.34Å; V38-V82 HydrophobicContact CG1-CG1 3.89Å; V79-V82 HydrophobicContact CG1-CG1 3.49Å; V79-V82 VanDerWaalsContact CG1-CG1 3.49Å; V82-V86 HydrophobicContact CB-CB 4.06Å; V82-V86 HydrophobicContact CB-CG1 4.18Å; V82-V86 HydrophobicContact CG1-CG1 4.35Å |
| 83 | G | 98.7 | Very high | 98.7 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 8% | 0.082 | 26% | 0.264 | C | S | . | . | trans | -65 | 160.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G34 P35 D37 A85 V86 | G34-G83 VanDerWaalsContact O-CA 3.26Å; G34-G83 WeakPolarHBondContact O-CA 3.42Å; P35-G83 CarbonylContact O-C 3.6Å; P35-G83 WeakPolarHBondContact O-CA 3.35Å; D37-G83 PolarHBondContact O-N 2.86Å; G83-A85 PolarHBondContact O-N 3.28Å; G83-V86 PolarHBondContact O-N 3.05Å | ||
| 84 | S | 98.6 | Very high | 98.7 | Very high | 117 Ų | 117 | 47.2 Ų | 47.2 | 82% | 0.818 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.3 | -174.4 | 53 | 0 | 0 | 0 | 0 | 115 | P35 | P35-S84 PolarHBondContact O-N 3.34Š|
| 85 | A | 98.6 | Very high | 98.8 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 41% | 0.413 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -5.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P35 N36 G83 T87 | P35-A85 HydrophobicContact CB-CB 4.33Å; P35-A85 WeakPolarHBondContact O-CA 3.37Å; P35-A85 VanDerWaalsContact O-CB 3.32Å; P35-A85 WeakPolarHBondContact O-CB 3.44Å; P35-A85 PolarHBondContact O-N 3.01Å; N36-A85 WeakPolarHBondContact OD1-CB 3.33Å; G83-A85 PolarHBondContact O-N 3.28Å; A85-T87 PolarHBondContact O-N 2.99Å |
| 86 | V | 98.8 | Very high | 98.8 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -78.8 | 123.1 | 179.7 | -179.5 | 0 | 0 | 0 | 0 | 110 | D37 V38 V82 G83 L89 A140 | D37-V86 WeakPolarHBondContact O-CG2 3.39Å; V38-V86 HydrophobicContact CG1-CG1 4.12Å; V38-V86 HydrophobicContact CG1-CG2 4.39Å; V82-V86 HydrophobicContact CB-CB 4.06Å; V82-V86 HydrophobicContact CB-CG1 4.18Å; V82-V86 HydrophobicContact CG1-CG1 4.35Å; G83-V86 PolarHBondContact O-N 3.05Å; V86-L89 HydrophobicContact CG1-CB 4.02Å; V86-A140 HydrophobicContact CB-CB 4.37Å; V86-A140 HydrophobicContact CG1-CB 3.85Å; V86-A140 HydrophobicContact CG2-CB 3.6Å | ||
| 87 | T | 98.5 | Very high | 98.8 | Very high | 135 Ų | 135 | 47.2 Ų | 47.2 | 83% | 0.828 | 27% | 0.27 | S | S | * | . | trans | -119.7 | -22 | -176.9 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | A85 | A85-T87 PolarHBondContact O-N 2.99Š| ||
| 88 | H | 98.7 | Very high | 98.8 | Very high | 94 Ų | 94 | 47.2 Ų | 47.2 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -94.5 | -13.7 | -174.8 | 62.8 | -65.3 | 0 | 0 | 0 | 114.5 | A140 | H88-A140 PolarHBondContact NE2-O 2.88Š|
| 89 | L | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | trans | -120.1 | 152.7 | 175.2 | -66.3 | 175.6 | 0 | 0 | 0 | 110.6 | V38 V79 V86 V95 A140 C143 K145 | V38-L89 HydrophobicContact CG1-CB 4.35Å; V38-L89 HydrophobicContact CG1-CD1 3.98Å; V79-L89 HydrophobicContact CG2-CD1 4.49Å; V86-L89 HydrophobicContact CG1-CB 4.02Å; L89-V95 HydrophobicContact CD1-CG1 4.32Å; L89-V95 HydrophobicContact CD2-CG1 3.88Å; L89-A140 HydrophobicContact CD1-CB 4.41Å; L89-C143 HydrophobicContact CD1-CB 3.72Å; L89-K145 HydrophobicContact CD2-CB 4.19Å | ||
| 90 | K | 98.7 | Very high | 98.7 | Very high | 126 Ų | 126 | 43.9 Ų | 43.9 | 55% | 0.548 | 26% | 0.259 | S | S | . | . | trans | -143.7 | 159.5 | 175.2 | 61.8 | 171.6 | 172.8 | -75.6 | 0 | 111.6 | G92 N93 | K90-G92 PolarHBondContact O-N 3.44Å; K90-N93 WeakPolarHBondContact CG-ND2 3.44Å; K90-N93 PolarHBondContact N-OD1 3.09Å; K90-N93 VanDerWaalsContact O-CB 3.29Å; K90-N93 WeakPolarHBondContact O-CB 3.37Å; K90-N93 VanDerWaalsContact O-CG 3.25Å; K90-N93 PolarHBondContact O-N 3.33Å; K90-N93 VanDerWaalsContact O-N 3.15Å | ||
| 91 | P | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 141.3 | 173 | -29.3 | 37 | 0 | 0 | 0 | 113 | V79 N93 | V79-P91 CarbonylContact O-C 3.21Å; V79-P91 VanDerWaalsContact O-CA 3.3Å; V79-P91 WeakPolarHBondContact O-CA 3.19Å; P91-N93 VanDerWaalsContact C-N 3.32Å; P91-N93 PolarHBondContact O-N 2.88Å |
| 92 | G | 98.4 | Very high | 98.6 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -17.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R78 V79 K90 R94 | R78-G92 PolarHBondContact NH1-O 2.81Å; V79-G92 PolarHBondContact O-N 2.86Å; K90-G92 PolarHBondContact O-N 3.44Å; G92-R94 PolarHBondContact O-N 2.93Å |
| 93 | N | 98.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | trans | -64 | 132.5 | 176.7 | -72 | -172.7 | 0 | 0 | 0 | 110.8 | R78 V79 K90 P91 | R78-N93 CarbonylContact C-O 3.53Å; R78-N93 WeakPolarHBondContact CA-O 3.5Å; V79-N93 HydrophobicContact CB-CB 4.45Å; V79-N93 HydrophobicContact CG2-CB 4.2Å; V79-N93 PolarHBondContact N-O 2.88Å; K90-N93 WeakPolarHBondContact CG-ND2 3.44Å; K90-N93 PolarHBondContact N-OD1 3.09Å; K90-N93 VanDerWaalsContact O-CB 3.29Å; K90-N93 WeakPolarHBondContact O-CB 3.37Å; K90-N93 VanDerWaalsContact O-CG 3.25Å; K90-N93 PolarHBondContact O-N 3.33Å; K90-N93 VanDerWaalsContact O-N 3.15Å; P91-N93 VanDerWaalsContact C-N 3.32Å; P91-N93 PolarHBondContact O-N 2.88Å | ||
| 94 | R | 98.9 | Very high | 98.3 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.2 | 170 | -56.3 | -176 | 11.4 | -125.4 | -34.6 | 108.4 | G92 K145 L146 P147 D148 I150 F152 | G92-R94 PolarHBondContact O-N 2.93Å; R94-K145 WeakPolarHBondContact O-CA 3.4Å; R94-L146 HydrophobicContact CB-CB 4.26Å; R94-L146 HydrophobicContact CB-CD1 4.43Å; R94-L146 PolarHBondContact O-N 2.74Å; R94-P147 PolarHBondContact NH2-O 3.29Å; R94-D148 PolarHBondContact NH1-O 2.73Å; R94-I150 VanDerWaalsContact CZ-O 3.24Å; R94-I150 PolarHBondContact NH1-O 3.06Å; R94-I150 PolarHBondContact NH2-O 2.71Å; R94-F152 HydrophobicContact CB-CE1 3.75Å; R94-F152 HydrophobicContact CB-CZ 3.98Å; R94-F152 VanDerWaalsContact CD-CZ 3.49Å; R94-F152 HydrophobicContact CG-CE1 3.79Å; R94-F152 HydrophobicContact CG-CE2 4.21Å; R94-F152 HydrophobicContact CG-CZ 3.45Å; R94-F152 VanDerWaalsContact CG-CZ 3.45Å |
| 95 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.4 | -176.5 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | L40 A76 G77 V79 L89 C143 Y144 | L40-V95 HydrophobicContact CD1-CG2 4.23Å; L40-V95 HydrophobicContact CD2-CG2 3.62Å; A76-V95 VanDerWaalsContact CA-O 3.24Å; A76-V95 WeakPolarHBondContact CA-O 3.27Å; A76-V95 WeakPolarHBondContact CB-O 3.1Å; G77-V95 PolarHBondContact N-O 3.41Å; G77-V95 WeakPolarHBondContact O-CG2 3.37Å; G77-V95 PolarHBondContact O-N 3.14Å; V79-V95 HydrophobicContact CG2-CG1 3.88Å; V79-V95 HydrophobicContact CG2-CG2 4.29Å; L89-V95 HydrophobicContact CD1-CG1 4.32Å; L89-V95 HydrophobicContact CD2-CG1 3.88Å; V95-C143 HydrophobicContact CB-CB 4.25Å; V95-C143 HydrophobicContact CG1-CB 4.4Å; V95-C143 HydrophobicContact CG2-CB 4.24Å; V95-Y144 CarbonylContact C-O 3.44Å; V95-Y144 WeakPolarHBondContact CA-O 3.48Å |
| 96 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 145 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y144 L146 G155 I158 Y308 | A96-Y144 PolarHBondContact N-O 3Å; A96-Y144 PolarHBondContact O-N 3.2Å; A96-L146 HydrophobicContact CB-CD2 3.88Å; A96-L146 HydrophobicContact CB-CG 4.39Å; A96-G155 WeakPolarHBondContact CB-O 3.32Å; A96-I158 HydrophobicContact CB-CD1 3.71Å; A96-Y308 HydrophobicContact CB-CD1 4.31Å; A96-Y308 HydrophobicContact CB-CE1 4.19Å |
| 97 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.9 | -171.9 | -54.3 | 164.9 | 0 | 0 | 0 | 108.2 | L40 M42 A75 P99 H138 Y308 | L40-I97 HydrophobicContact CD1-CD1 3.4Å; L40-I97 HydrophobicContact CD1-CG1 3.63Å; M42-I97 HydrophobicContact CE-CD1 3.51Å; M42-I97 HydrophobicContact SD-CD1 3.89Å; A75-I97 HydrophobicContact CB-CD1 3.96Å; A75-I97 PolarHBondContact O-N 3.09Å; I97-P99 WeakPolarHBondContact O-CD 3.41Å; I97-H138 VanDerWaalsContact CG2-CD2 3.5Å; I97-H138 WeakPolarHBondContact CG2-CD2 3.42Å; I97-Y308 VanDerWaalsContact C-CE1 3.44Å; I97-Y308 VanDerWaalsContact O-CE1 3.31Å; I97-Y308 WeakPolarHBondContact O-CE1 3.37Å; I97-Y308 PolarHBondContact O-OH 2.83Å |
| 98 | E | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -84.8 | 111.5 | 169 | -177.8 | 170.8 | -174.2 | 0 | 0 | 109.1 | G100 Y114 H138 F142 Y144 Y304 Y308 | E98-G100 PolarHBondContact O-N 3.48Å; E98-Y114 WeakPolarHBondContact OE1-CE2 3.48Å; E98-Y114 PolarHBondContact OE1-OH 2.92Å; E98-Y114 PolarHBondContact OE2-OH 3.29Å; E98-H138 PolarHBondContact O-NE2 2.84Å; E98-F142 HydrophobicContact CB-CB 4.2Å; E98-F142 HydrophobicContact CB-CD1 4.01Å; E98-F142 HydrophobicContact CG-CD1 3.87Å; E98-F142 PolarHBondContact N-O 3.43Å; E98-Y144 HydrophobicContact CB-CD2 4.41Å; E98-Y144 HydrophobicContact CB-CE2 3.75Å; E98-Y144 VanDerWaalsContact OE2-CE2 3.26Å; E98-Y144 WeakPolarHBondContact OE2-CE2 3.31Å; E98-Y144 PolarHBondContact OE2-OH 3Å; E98-Y304 HydrophobicContact CG-CE2 4.14Å; E98-Y308 WeakPolarHBondContact CA-OH 3.38Å; E98-Y308 HydrophobicContact CB-CD1 3.99Å; E98-Y308 HydrophobicContact CB-CD2 3.81Å; E98-Y308 HydrophobicContact CB-CE1 3.8Å; E98-Y308 HydrophobicContact CB-CE2 3.65Å; E98-Y308 HydrophobicContact CB-CG 4.01Å; E98-Y308 HydrophobicContact CG-CD2 3.77Å; E98-Y308 HydrophobicContact CG-CE2 3.58Å; E98-Y308 HydrophobicContact CG-CG 4.42Å | ||
| 99 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -70.1 | -19.4 | -167 | 26.3 | -35.5 | 0 | 0 | 0 | 114 | H73 I97 F122 C123 E159 Y304 Y308 | H73-P99 HydrophobicContact CB-CB 3.94Å; H73-P99 HydrophobicContact CB-CG 4.27Å; I97-P99 WeakPolarHBondContact O-CD 3.41Å; P99-F122 HydrophobicContact CB-CD2 4.47Å; P99-F122 HydrophobicContact CB-CE1 4.27Å; P99-F122 HydrophobicContact CB-CE2 4.17Å; P99-F122 HydrophobicContact CB-CZ 4.08Å; P99-F122 HydrophobicContact CG-CD2 4.41Å; P99-F122 HydrophobicContact CG-CE1 4.14Å; P99-F122 HydrophobicContact CG-CE2 3.67Å; P99-F122 HydrophobicContact CG-CZ 3.52Å; P99-F122 WeakPolarHBondContact O-CA 3.44Å; P99-C123 HydrophobicContact CB-CB 3.62Å; P99-C123 PolarHBondContact O-N 3.26Å; P99-E159 HydrophobicContact CG-CG 4.08Å; P99-Y304 VanDerWaalsContact CD-OH 3.28Å; P99-Y304 WeakPolarHBondContact CD-OH 3.33Å; P99-Y304 WeakPolarHBondContact CG-OH 3.29Å; P99-Y308 WeakPolarHBondContact CD-OH 3.41Å | ||
| 100 | G | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 109.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E98 F121 F142 | E98-G100 PolarHBondContact O-N 3.48Å; G100-F121 CarbonylContact C-O 3.55Å; G100-F121 VanDerWaalsContact CA-O 3.26Å; G100-F121 WeakPolarHBondContact CA-O 3.4Å; G100-F142 WeakPolarHBondContact O-CD1 3.26Å; G100-F142 WeakPolarHBondContact O-CE1 3.48Å |
| 101 | V | 98.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.9 | 178.2 | -176.1 | 0 | 0 | 0 | 0 | 110 | R103 F121 H138 N139 F142 | V101-R103 PolarHBondContact O-N 2.78Å; V101-F121 HydrophobicContact CB-CB 4.38Å; V101-F121 HydrophobicContact CB-CD1 4.34Å; V101-F121 HydrophobicContact CG2-CD1 4.45Å; V101-F121 PolarHBondContact N-O 3.38Å; V101-F121 WeakPolarHBondContact O-CB 3.47Å; V101-F121 PolarHBondContact O-N 3.38Å; V101-H138 WeakPolarHBondContact CG2-CE1 3.36Å; V101-H138 VanDerWaalsContact CG2-NE2 3.31Å; V101-H138 WeakPolarHBondContact CG2-NE2 3.35Å; V101-N139 HydrophobicContact CG1-CB 3.84Å; V101-N139 HydrophobicContact CG2-CB 4.06Å; V101-F142 HydrophobicContact CB-CD2 4.35Å; V101-F142 HydrophobicContact CG1-CD2 3.98Å; V101-F142 HydrophobicContact CG1-CE2 4.02Å; V101-F142 HydrophobicContact CG2-CB 3.92Å; V101-F142 HydrophobicContact CG2-CD1 4.36Å; V101-F142 HydrophobicContact CG2-CD2 3.86Å; V101-F142 HydrophobicContact CG2-CG 3.78Å |
| 102 | P | 96.8 | Very high | 97.8 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | trans | -60.8 | 127.5 | 173 | -21.8 | 35.1 | 0 | 0 | 0 | 110 | F109 Y114 F142 | P102-F109 HydrophobicContact CB-CD2 3.99Å; P102-F109 HydrophobicContact CG-CD2 3.83Å; P102-F109 HydrophobicContact CG-CE2 4.32Å; P102-Y114 HydrophobicContact CG-CD2 4Å; P102-Y114 HydrophobicContact CG-CG 4.04Å; P102-F142 HydrophobicContact CG-CZ 4.23Å | ||
| 103 | R | 96.1 | Very high | 97.8 | Very high | 124 Ų | 124 | 54.3 Ų | 54.3 | 47% | 0.468 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -75.6 | -33.8 | 175.6 | -69.3 | -178.1 | -178.4 | 93.9 | -0.8 | 111.6 | V101 T119 I120 F121 D128 | V101-R103 PolarHBondContact O-N 2.78Å; R103-T119 WeakPolarHBondContact CB-O 3.48Å; R103-T119 WeakPolarHBondContact CD-O 3.31Å; R103-T119 WeakPolarHBondContact CG-O 3.42Å; R103-T119 PolarHBondContact NH1-O 2.96Å; R103-I120 PolarHBondContact NH1-O 2.94Å; R103-F121 HydrophobicContact CG-CB 4.4Å; R103-D128 IonicContact CZ-OD1 2.91Å; R103-D128 IonicContact CZ-OD2 2.67Å; R103-D128 IonicContact NH1-OD2 3.21Å; R103-D128 IonicContact NH2-OD1 3.87Å; R103-D128 PolarHBondContact NH2-OD1 3.45Å; R103-D128 IonicContact NH2-OD2 3.55Å; R103-D128 PolarHBondContact NH2-OD2 3.32Å |
| 104 | D | 95.1 | Very high | 97.7 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -119.7 | 149.4 | -176.1 | -56.4 | -59.1 | 0 | 0 | 0 | 111.4 | D106 T119 | D104-D106 PolarHBondContact O-N 3.27Å; D104-T119 VanDerWaalsContact OD2-CB 3.32Å; D104-T119 WeakPolarHBondContact OD2-CB 3.47Å; D104-T119 WeakPolarHBondContact OD2-CG2 3.41Å; D104-T119 PolarHBondContact OD2-OG1 2.9Å |
| 105 | M | 95.6 | Very high | 97.7 | Very high | 150 Ų | 150 | 52.3 Ų | 52.3 | 74% | 0.739 | 25% | 0.246 | S | C | * | . | trans | -80.6 | 62.8 | 167.3 | -68.5 | -175.2 | -80.3 | 0 | 0 | 110.2 | F109 K110 | M105-F109 HydrophobicContact CB-CD1 4.16Å; M105-F109 HydrophobicContact CG-CD1 4.08Å; M105-F109 HydrophobicContact CG-CE1 4.03Å; M105-K110 WeakPolarHBondContact O-CE 3.48Å | ||
| 106 | D | 97.4 | Very high | 97.6 | Very high | 32 Ų | 32 | 55.3 Ų | 55.3 | 17% | 0.171 | 26% | 0.262 | C | S | . | . | trans | -76.8 | -178.4 | 179.8 | 71 | 21.5 | 0 | 0 | 0 | 113.1 | D104 F108 F109 K110 S117 P118 | D104-D106 PolarHBondContact O-N 3.27Å; D106-F108 VanDerWaalsContact C-N 3.3Å; D106-F108 PolarHBondContact O-N 3Å; D106-F108 WeakPolarHBondContact OD1-CA 3.22Å; D106-F108 WeakPolarHBondContact OD1-CB 3.39Å; D106-F108 PolarHBondContact OD1-N 2.96Å; D106-F109 WeakPolarHBondContact O-CB 3.41Å; D106-F109 PolarHBondContact O-N 3.18Å; D106-F109 PolarHBondContact OD1-N 2.85Å; D106-K110 VanDerWaalsContact O-CG 3.29Å; D106-K110 WeakPolarHBondContact O-CG 3.37Å; D106-K110 PolarHBondContact O-N 2.83Å; D106-S117 WeakPolarHBondContact OD2-CA 3.3Å; D106-S117 WeakPolarHBondContact OD2-CB 3.35Å; D106-S117 PolarHBondContact OD2-OG 3.19Å; D106-P118 WeakPolarHBondContact OD2-CD 3.17Å | ||
| 107 | E | 97.8 | Very high | 97.5 | Very high | 119 Ų | 119 | 55.5 Ų | 55.5 | 56% | 0.556 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.7 | -28.5 | -179.8 | -65.2 | -54.3 | 128 | 0 | 0 | 113.5 | K110 R111 | E107-K110 WeakPolarHBondContact OE1-CD 3.4Å; E107-K110 IonicContact OE1-NZ 3.53Å; E107-K110 PolarHBondContact OE1-NZ 3.01Å; E107-R111 WeakPolarHBondContact O-CD 3.14Å; E107-R111 VanDerWaalsContact O-CG 3.26Å; E107-R111 WeakPolarHBondContact O-CG 3.4Å; E107-R111 PolarHBondContact O-N 2.99Å; E107-R111 VanDerWaalsContact O-N 3.16Å |
| 108 | F | 98.1 | Very high | 97.3 | Very high | 60 Ų | 60 | 60.6 Ų | 60.6 | 26% | 0.263 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 174.9 | -67.7 | -79.6 | 0 | 0 | 0 | 110.7 | D106 R111 G112 Q113 Y114 L116 P118 | D106-F108 VanDerWaalsContact C-N 3.3Å; D106-F108 PolarHBondContact O-N 3Å; D106-F108 WeakPolarHBondContact OD1-CA 3.22Å; D106-F108 WeakPolarHBondContact OD1-CB 3.39Å; D106-F108 PolarHBondContact OD1-N 2.96Å; F108-R111 VanDerWaalsContact CD1-NH2 3.25Å; F108-G112 PolarHBondContact O-N 3Å; F108-Q113 CarbonylContact O-C 3.57Å; F108-Q113 WeakPolarHBondContact O-CA 3.25Å; F108-Q113 PolarHBondContact O-N 3.06Å; F108-Y114 PolarHBondContact O-N 3.47Å; F108-L116 HydrophobicContact CB-CB 4.34Å; F108-L116 HydrophobicContact CD1-CB 3.39Å; F108-L116 HydrophobicContact CD1-CD1 4.04Å; F108-L116 HydrophobicContact CD1-CG 4.35Å; F108-L116 HydrophobicContact CE1-CB 3.72Å; F108-L116 HydrophobicContact CE1-CD1 4.08Å; F108-L116 HydrophobicContact CG-CB 3.93Å; F108-P118 HydrophobicContact CD2-CG 4.49Å; F108-P118 HydrophobicContact CE2-CG 4.15Å |
| 109 | F | 96.7 | Very high | 97.2 | Very high | 80 Ų | 80 | 63.1 Ų | 63.1 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -52.8 | 172 | -178.1 | -94.2 | 0 | 0 | 0 | 111.3 | P102 M105 D106 R111 G112 | P102-F109 HydrophobicContact CB-CD2 3.99Å; P102-F109 HydrophobicContact CG-CD2 3.83Å; P102-F109 HydrophobicContact CG-CE2 4.32Å; M105-F109 HydrophobicContact CB-CD1 4.16Å; M105-F109 HydrophobicContact CG-CD1 4.08Å; M105-F109 HydrophobicContact CG-CE1 4.03Å; D106-F109 WeakPolarHBondContact O-CB 3.41Å; D106-F109 PolarHBondContact O-N 3.18Å; D106-F109 PolarHBondContact OD1-N 2.85Å; F109-R111 PolarHBondContact O-N 3.33Å; F109-G112 PolarHBondContact O-N 2.94Å |
| 110 | K | 97.4 | Very high | 97.1 | Very high | 135 Ų | 135 | 64.1 Ų | 64.1 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.7 | -33.2 | -177 | -71.4 | 172.9 | -165.5 | 169.5 | 0 | 113.6 | M105 D106 E107 G112 | M105-K110 WeakPolarHBondContact O-CE 3.48Å; D106-K110 VanDerWaalsContact O-CG 3.29Å; D106-K110 WeakPolarHBondContact O-CG 3.37Å; D106-K110 PolarHBondContact O-N 2.83Å; E107-K110 WeakPolarHBondContact OE1-CD 3.4Å; E107-K110 IonicContact OE1-NZ 3.53Å; E107-K110 PolarHBondContact OE1-NZ 3.01Å; K110-G112 VanDerWaalsContact C-N 3.33Å |
| 111 | R | 97.3 | Very high | 97.1 | Very high | 144 Ų | 144 | 65.9 Ų | 65.9 | 54% | 0.543 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 7.6 | 176.9 | 78.7 | -165.8 | -166.1 | -176 | 6.7 | 114.3 | E107 F108 F109 Q113 | E107-R111 WeakPolarHBondContact O-CD 3.14Å; E107-R111 VanDerWaalsContact O-CG 3.26Å; E107-R111 WeakPolarHBondContact O-CG 3.4Å; E107-R111 PolarHBondContact O-N 2.99Å; E107-R111 VanDerWaalsContact O-N 3.16Å; F108-R111 VanDerWaalsContact CD1-NH2 3.25Å; F109-R111 PolarHBondContact O-N 3.33Å; R111-Q113 HydrophobicContact CG-CB 4.15Å; R111-Q113 HydrophobicContact CG-CG 4.18Å |
| 112 | G | 97.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 32% | 0.32 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 15.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F108 F109 K110 N306 | F108-G112 PolarHBondContact O-N 3Å; F109-G112 PolarHBondContact O-N 2.94Å; K110-G112 VanDerWaalsContact C-N 3.33Å; G112-N306 PolarHBondContact O-ND2 3.18Å |
| 113 | Q | 98.1 | Very high | 97.2 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | trans | -113.7 | 43.5 | 179.9 | -64.5 | -178.7 | -9.5 | 0 | 0 | 111.4 | F108 R111 N115 L116 | F108-Q113 CarbonylContact O-C 3.57Å; F108-Q113 WeakPolarHBondContact O-CA 3.25Å; F108-Q113 PolarHBondContact O-N 3.06Å; R111-Q113 HydrophobicContact CG-CB 4.15Å; R111-Q113 HydrophobicContact CG-CG 4.18Å; Q113-N115 PolarHBondContact O-N 3.16Å; Q113-N115 PolarHBondContact O-OD1 3.36Å; Q113-L116 HydrophobicContact CB-CD1 4.28Å; Q113-L116 WeakPolarHBondContact O-CB 3.35Å; Q113-L116 PolarHBondContact O-N 3.44Å | ||
| 114 | Y | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 5% | 0.051 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -59.6 | -21.1 | -170.9 | 64.1 | -104.7 | 0 | 0 | 0 | 114.5 | E98 P102 F108 L116 S117 F142 C305 N306 | E98-Y114 WeakPolarHBondContact OE1-CE2 3.48Å; E98-Y114 PolarHBondContact OE1-OH 2.92Å; E98-Y114 PolarHBondContact OE2-OH 3.29Å; P102-Y114 HydrophobicContact CG-CD2 4Å; P102-Y114 HydrophobicContact CG-CG 4.04Å; F108-Y114 PolarHBondContact O-N 3.47Å; Y114-L116 PolarHBondContact O-N 3.42Å; Y114-L116 VanDerWaalsContact O-N 3.14Å; Y114-S117 VanDerWaalsContact O-CB 3.23Å; Y114-S117 WeakPolarHBondContact O-CB 3.17Å; Y114-S117 PolarHBondContact O-N 3.07Å; Y114-F142 HydrophobicContact CD2-CE1 4.38Å; Y114-F142 AromaticContact CE2-CE1 3.91Å; Y114-F142 HydrophobicContact CE2-CE1 3.91Å; Y114-C305 HydrophobicContact CD1-CB 4.11Å; Y114-C305 HydrophobicContact CD2-CB 4.44Å; Y114-C305 HydrophobicContact CE1-CB 3.72Å; Y114-C305 HydrophobicContact CE2-CB 4.08Å; Y114-C305 HydrophobicContact CG-CB 4.45Å; Y114-C305 WeakPolarHBondContact OH-CA 3.47Å; Y114-N306 PolarHBondContact OH-N 3.36Å |
| 115 | N | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -61.4 | -18.3 | 174.1 | 67.3 | -58.6 | 0 | 0 | 0 | 113.7 | Q113 F302 Y304 C305 | Q113-N115 PolarHBondContact O-N 3.16Å; Q113-N115 PolarHBondContact O-OD1 3.36Å; N115-F302 PolarHBondContact ND2-O 2.5Å; N115-F302 VanDerWaalsContact O-CD1 3.3Å; N115-F302 WeakPolarHBondContact O-CD1 3.44Å; N115-F302 VanDerWaalsContact O-CE1 3.32Å; N115-F302 WeakPolarHBondContact O-CE1 3.38Å; N115-Y304 WeakPolarHBondContact CB-O 3.32Å; N115-C305 HydrophobicContact CB-CB 4.05Å; N115-C305 WeakPolarHBondContact OD1-CB 3.35Å; N115-C305 PolarHBondContact OD1-SG 3.08Å |
| 116 | L | 97.3 | Very high | 97.5 | Very high | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -96.7 | 0.5 | 177 | -56.9 | -179.1 | 0 | 0 | 0 | 113.2 | F108 Q113 Y114 P118 F302 | F108-L116 HydrophobicContact CB-CB 4.34Å; F108-L116 HydrophobicContact CD1-CB 3.39Å; F108-L116 HydrophobicContact CD1-CD1 4.04Å; F108-L116 HydrophobicContact CD1-CG 4.35Å; F108-L116 HydrophobicContact CE1-CB 3.72Å; F108-L116 HydrophobicContact CE1-CD1 4.08Å; F108-L116 HydrophobicContact CG-CB 3.93Å; Q113-L116 HydrophobicContact CB-CD1 4.28Å; Q113-L116 WeakPolarHBondContact O-CB 3.35Å; Q113-L116 PolarHBondContact O-N 3.44Å; Y114-L116 PolarHBondContact O-N 3.42Å; Y114-L116 VanDerWaalsContact O-N 3.14Å; L116-P118 WeakPolarHBondContact O-CD 3.47Å; L116-F302 HydrophobicContact CD2-CB 4.39Å; L116-F302 HydrophobicContact CD2-CD1 4.24Å |
| 117 | S | 97.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | trans | -58.2 | 122.9 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 110 | D106 Y114 T119 I120 | D106-S117 WeakPolarHBondContact OD2-CA 3.3Å; D106-S117 WeakPolarHBondContact OD2-CB 3.35Å; D106-S117 PolarHBondContact OD2-OG 3.19Å; Y114-S117 VanDerWaalsContact O-CB 3.23Å; Y114-S117 WeakPolarHBondContact O-CB 3.17Å; Y114-S117 PolarHBondContact O-N 3.07Å; S117-T119 PolarHBondContact O-N 3.46Å; S117-I120 WeakPolarHBondContact O-CB 3.23Å; S117-I120 WeakPolarHBondContact O-CG2 3.3Å; S117-I120 PolarHBondContact O-N 3.4Å; S117-I120 VanDerWaalsContact O-N 3.14Å | ||
| 118 | P | 94.8 | Very high | 97.6 | Very high | 108 Ų | 108 | 46.5 Ų | 46.5 | 70% | 0.701 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.4 | -178.2 | -24.7 | 34.8 | 0 | 0 | 0 | 113.5 | D106 F108 L116 | D106-P118 WeakPolarHBondContact OD2-CD 3.17Å; F108-P118 HydrophobicContact CD2-CG 4.49Å; F108-P118 HydrophobicContact CE2-CG 4.15Å; L116-P118 WeakPolarHBondContact O-CD 3.47Å |
| 119 | T | 95.9 | Very high | 97.6 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 14.2 | -178.9 | 61.2 | 0 | 0 | 0 | 0 | 112 | R103 D104 S117 F121 | R103-T119 WeakPolarHBondContact CB-O 3.48Å; R103-T119 WeakPolarHBondContact CD-O 3.31Å; R103-T119 WeakPolarHBondContact CG-O 3.42Å; R103-T119 PolarHBondContact NH1-O 2.96Å; D104-T119 VanDerWaalsContact OD2-CB 3.32Å; D104-T119 WeakPolarHBondContact OD2-CB 3.47Å; D104-T119 WeakPolarHBondContact OD2-CG2 3.41Å; D104-T119 PolarHBondContact OD2-OG1 2.9Å; S117-T119 PolarHBondContact O-N 3.46Å; T119-F121 PolarHBondContact O-N 3.24Å |
| 120 | I | 97.6 | Very high | 97.7 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 11% | 0.108 | 23% | 0.227 | C | C | . | . | trans | -56.4 | 130.8 | 178 | -166.9 | 165.3 | 0 | 0 | 0 | 111.5 | R103 S117 | R103-I120 PolarHBondContact NH1-O 2.94Å; S117-I120 WeakPolarHBondContact O-CB 3.23Å; S117-I120 WeakPolarHBondContact O-CG2 3.3Å; S117-I120 PolarHBondContact O-N 3.4Å; S117-I120 VanDerWaalsContact O-N 3.14Å | ||
| 121 | F | 98.4 | Very high | 97.7 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 18% | 0.18 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133.7 | 162.8 | 169 | -87.2 | 0 | 0 | 0 | 108.5 | G100 V101 R103 T119 D128 Y136 H138 | G100-F121 CarbonylContact C-O 3.55Å; G100-F121 VanDerWaalsContact CA-O 3.26Å; G100-F121 WeakPolarHBondContact CA-O 3.4Å; V101-F121 HydrophobicContact CB-CB 4.38Å; V101-F121 HydrophobicContact CB-CD1 4.34Å; V101-F121 HydrophobicContact CG2-CD1 4.45Å; V101-F121 PolarHBondContact N-O 3.38Å; V101-F121 WeakPolarHBondContact O-CB 3.47Å; V101-F121 PolarHBondContact O-N 3.38Å; R103-F121 HydrophobicContact CG-CB 4.4Å; T119-F121 PolarHBondContact O-N 3.24Å; F121-D128 WeakPolarHBondContact CA-OD2 3.22Å; F121-D128 HydrophobicContact CD2-CB 3.78Å; F121-D128 VanDerWaalsContact CD2-CG 3.44Å; F121-D128 HydrophobicContact CE2-CB 3.55Å; F121-D128 HydrophobicContact CZ-CB 4.22Å; F121-Y136 VanDerWaalsContact CE1-OH 3.26Å; F121-Y136 WeakPolarHBondContact CE1-OH 3.43Å; F121-Y136 WeakPolarHBondContact CZ-OH 3.38Å; F121-H138 AromaticContact CE1-CE1 3.8Å |
| 122 | F | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.044 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 121.5 | 173.3 | -163.6 | -84 | 0 | 0 | 0 | 112 | H73 P99 A124 T125 D128 R303 | H73-F122 HydrophobicContact CB-CE1 4.27Å; P99-F122 HydrophobicContact CB-CD2 4.47Å; P99-F122 HydrophobicContact CB-CE1 4.27Å; P99-F122 HydrophobicContact CB-CE2 4.17Å; P99-F122 HydrophobicContact CB-CZ 4.08Å; P99-F122 HydrophobicContact CG-CD2 4.41Å; P99-F122 HydrophobicContact CG-CE1 4.14Å; P99-F122 HydrophobicContact CG-CE2 3.67Å; P99-F122 HydrophobicContact CG-CZ 3.52Å; P99-F122 WeakPolarHBondContact O-CA 3.44Å; F122-A124 PolarHBondContact O-N 3.12Å; F122-T125 WeakPolarHBondContact CD1-OG1 3.48Å; F122-T125 PolarHBondContact O-N 3.07Å; F122-T125 VanDerWaalsContact O-N 3.1Å; F122-D128 PolarHBondContact N-OD2 3.48Å; F122-D128 WeakPolarHBondContact O-CB 3.22Å; F122-R303 HydrophobicContact CE2-CB 4.45Å; F122-R303 HydrophobicContact CE2-CG 3.97Å; F122-R303 VanDerWaalsContact CG-NH1 3.35Å; F122-R303 VanDerWaalsContact CG-NH2 3.33Å; F122-R303 HydrophobicContact CZ-CG 4.09Å |
| 123 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | 131.2 | 178.9 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | H73 P99 T125 Y136 | H73-C123 HydrophobicContact CB-CB 3.6Å; H73-C123 WeakPolarHBondContact CB-O 3.2Å; P99-C123 HydrophobicContact CB-CB 3.62Å; P99-C123 PolarHBondContact O-N 3.26Å; C123-T125 PolarHBondContact O-N 2.97Å; C123-T125 VanDerWaalsContact O-N 3.17Å; C123-Y136 PolarHBondContact SG-OH 2.97Å |
| 124 | A | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 24.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y54 M69 F122 D128 | Y54-A124 WeakPolarHBondContact CE2-O 3.4Å; M69-A124 HydrophobicContact CE-CB 4.33Å; M69-A124 WeakPolarHBondContact CE-O 3.3Å; F122-A124 PolarHBondContact O-N 3.12Å; A124-D128 WeakPolarHBondContact CA-O 3.42Å; A124-D128 PolarHBondContact N-O 3.38Å; A124-D128 VanDerWaalsContact N-O 3.15Å |
| 125 | T | 97.9 | Very high | 97.9 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 10% | 0.104 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -110.5 | 114.8 | 164.1 | -62.3 | 0 | 0 | 0 | 0 | 108.3 | F63 F122 C123 D128 R303 | F63-T125 HydrophobicContact CB-CG2 4.14Å; F63-T125 HydrophobicContact CD1-CG2 3.45Å; F63-T125 VanDerWaalsContact CD1-CG2 3.45Å; F63-T125 HydrophobicContact CD2-CG2 4.44Å; F63-T125 HydrophobicContact CE1-CG2 3.93Å; F63-T125 HydrophobicContact CG-CG2 3.75Å; F122-T125 WeakPolarHBondContact CD1-OG1 3.48Å; F122-T125 PolarHBondContact O-N 3.07Å; F122-T125 VanDerWaalsContact O-N 3.1Å; C123-T125 PolarHBondContact O-N 2.97Å; C123-T125 VanDerWaalsContact O-N 3.17Å; T125-D128 WeakPolarHBondContact O-CB 3.32Å; T125-D128 PolarHBondContact O-N 3.43Å; T125-R303 PolarHBondContact OG1-NH2 2.79Å; T125-R303 VanDerWaalsContact OG1-NH2 3.11Å |
| 126 | P | 96.9 | Very high | 98 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 131.5 | -176.5 | -27.3 | 33.8 | 0 | 0 | 0 | 112.1 | Y54 V64 L65 M69 | Y54-P126 HydrophobicContact CD1-CG 4.23Å; Y54-P126 VanDerWaalsContact CE1-CD 3.45Å; Y54-P126 HydrophobicContact CE1-CG 3.73Å; Y54-P126 VanDerWaalsContact OH-CD 3.31Å; Y54-P126 WeakPolarHBondContact OH-CD 3.27Å; V64-P126 WeakPolarHBondContact O-CB 3.37Å; L65-P126 HydrophobicContact CB-CG 4.3Å; L65-P126 HydrophobicContact CD1-CG 4.2Å; M69-P126 HydrophobicContact CE-CG 3.89Å; M69-P126 VanDerWaalsContact SD-CA 3.53Å; M69-P126 HydrophobicContact SD-CB 4.04Å; M69-P126 HydrophobicContact SD-CG 3.61Å; M69-P126 VanDerWaalsContact SD-N 3.39Å |
| 127 | P | 97.1 | Very high | 98 | Very high | 78 Ų | 78 | 24.9 Ų | 24.9 | 51% | 0.506 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -96 | 14.2 | 15 | 39.1 | -37.4 | 0 | 0 | 0 | 115.9 | K67 | K67-P127 WeakPolarHBondContact CE-O 3.37Š|
| 128 | D | 98.4 | Very high | 98.1 | Very high | 20 Ų | 20 | 25.1 Ų | 25.1 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -91.9 | 122.3 | -167.4 | -65.9 | -28.9 | 0 | 0 | 0 | 112.7 | M69 R103 F121 F122 A124 T125 | M69-D128 WeakPolarHBondContact CG-O 3.4Å; R103-D128 IonicContact CZ-OD1 2.91Å; R103-D128 IonicContact CZ-OD2 2.67Å; R103-D128 IonicContact NH1-OD2 3.21Å; R103-D128 IonicContact NH2-OD1 3.87Å; R103-D128 PolarHBondContact NH2-OD1 3.45Å; R103-D128 IonicContact NH2-OD2 3.55Å; R103-D128 PolarHBondContact NH2-OD2 3.32Å; F121-D128 WeakPolarHBondContact CA-OD2 3.22Å; F121-D128 HydrophobicContact CD2-CB 3.78Å; F121-D128 VanDerWaalsContact CD2-CG 3.44Å; F121-D128 HydrophobicContact CE2-CB 3.55Å; F121-D128 HydrophobicContact CZ-CB 4.22Å; F122-D128 PolarHBondContact N-OD2 3.48Å; F122-D128 WeakPolarHBondContact O-CB 3.22Å; A124-D128 WeakPolarHBondContact CA-O 3.42Å; A124-D128 PolarHBondContact N-O 3.38Å; A124-D128 VanDerWaalsContact N-O 3.15Å; T125-D128 WeakPolarHBondContact O-CB 3.32Å; T125-D128 PolarHBondContact O-N 3.43Å |
| 129 | D | 98.8 | Very high | 98.3 | Very high | 60 Ų | 60 | 21.6 Ų | 21.6 | 32% | 0.321 | 12% | 0.119 | S | C | . | . | trans | -60.4 | 137.4 | 175.5 | -80.7 | -32.6 | 0 | 0 | 0 | 111.3 | M69 V70 | M69-D129 VanDerWaalsContact CA-OD1 3.24Å; M69-D129 WeakPolarHBondContact CA-OD1 3.32Å; V70-D129 HydrophobicContact CB-CB 4.04Å; V70-D129 HydrophobicContact CG2-CB 4.18Å; V70-D129 PolarHBondContact N-OD1 2.82Å | ||
| 130 | G | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | trans | -81.9 | -170.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V70 L71 G72 | V70-G130 WeakPolarHBondContact CG1-O 3.42Å; V70-G130 WeakPolarHBondContact O-CA 3.39Å; V70-G130 PolarHBondContact O-N 2.57Å; L71-G130 CarbonylContact O-C 3.43Å; L71-G130 WeakPolarHBondContact O-CA 3.4Å; G72-G130 CarbonylContact O-C 3.42Å; G72-G130 WeakPolarHBondContact O-CA 3.17Å | ||
| 131 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -118 | 17.5 | -171.4 | 58.5 | 24.6 | 0 | 0 | 0 | 114 | M42 L71 G72 H73 A75 C133 Y136 | M42-N131 HydrophobicContact CE-CB 3.8Å; M42-N131 WeakPolarHBondContact CE-O 3.26Å; M42-N131 HydrophobicContact SD-CB 4.37Å; L71-N131 PolarHBondContact O-N 3.27Å; G72-N131 PolarHBondContact O-N 3.05Å; G72-N131 PolarHBondContact O-OD1 3.14Å; G72-N131 VanDerWaalsContact O-OD1 3.08Å; H73-N131 PolarHBondContact N-OD1 3.22Å; A75-N131 WeakPolarHBondContact CB-ND2 3.28Å; A75-N131 WeakPolarHBondContact CB-OD1 3.4Å; N131-C133 PolarHBondContact O-N 3.4Å; N131-Y136 HydrophobicContact CB-CD1 3.78Å; N131-Y136 HydrophobicContact CB-CD2 3.95Å; N131-Y136 HydrophobicContact CB-CE1 4Å; N131-Y136 HydrophobicContact CB-CE2 4.19Å; N131-Y136 HydrophobicContact CB-CG 3.76Å |
| 132 | L | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | -80 | 65 | 173.2 | -162.5 | 64.8 | 0 | 0 | 0 | 111.6 | V15 V45 L71 L332 F339 L352 | V15-L132 HydrophobicContact CB-CB 4.3Å; V15-L132 HydrophobicContact CB-CD2 3.58Å; V15-L132 HydrophobicContact CB-CG 3.9Å; V15-L132 HydrophobicContact CG1-CD2 3.78Å; V15-L132 HydrophobicContact CG2-CD2 3.75Å; V15-L132 HydrophobicContact CG2-CG 3.86Å; V15-L132 PolarHBondContact N-O 2.91Å; V45-L132 HydrophobicContact CB-CD1 3.48Å; V45-L132 VanDerWaalsContact CB-CD1 3.48Å; V45-L132 HydrophobicContact CG1-CB 4.49Å; V45-L132 HydrophobicContact CG1-CD1 3.56Å; V45-L132 HydrophobicContact CG2-CD1 3.99Å; L71-L132 WeakPolarHBondContact O-CB 3.22Å; L71-L132 PolarHBondContact O-N 3.3Å; L132-L332 HydrophobicContact CD1-CD1 4.1Å; L132-L332 HydrophobicContact CG-CD1 3.93Å; L132-F339 HydrophobicContact CD2-CE2 3.8Å; L132-F339 HydrophobicContact CD2-CZ 4.22Å; L132-L352 HydrophobicContact CD1-CB 3.82Å; L132-L352 HydrophobicContact CD1-CD1 3.61Å; L132-L352 HydrophobicContact CD1-CG 4.35Å; L132-L352 HydrophobicContact CD2-CD1 3.63Å; L132-L352 HydrophobicContact CG-CD1 4.11Å | ||
| 133 | C | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -143.5 | -170.8 | -177.2 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | L13 S14 M42 N131 Y135 C354 | L13-C133 CarbonylContact O-C 3.18Å; L13-C133 WeakPolarHBondContact O-CA 3.19Å; S14-C133 WeakPolarHBondContact OG-CB 3.25Å; M42-C133 WeakPolarHBondContact CB-O 3.41Å; M42-C133 WeakPolarHBondContact CG-O 3.49Å; N131-C133 PolarHBondContact O-N 3.4Å; C133-Y135 PolarHBondContact SG-O 3.38Å; C133-C354 WeakPolarHBondContact O-CB 3.11Å; C133-C354 PolarHBondContact O-SG 2.93Å; C133-C354 VanDerWaalsContact O-SG 3.37Å |
| 134 | R | 98.6 | Very high | 98.5 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 5% | 0.045 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -86.4 | -41 | 173 | -57.9 | -62 | -179.2 | -177 | -7.1 | 112.4 | E11 N12 L13 Q41 M42 L332 E333 C354 K356 | E11-R134 WeakPolarHBondContact O-CG 3.33Å; N12-R134 PolarHBondContact OD1-N 3.44Å; L13-R134 HydrophobicContact CB-CG 4.06Å; L13-R134 PolarHBondContact O-N 3.13Å; L13-R134 VanDerWaalsContact O-N 3.13Å; Q41-R134 WeakPolarHBondContact CA-O 3.46Å; M42-R134 PolarHBondContact N-O 3.02Å; R134-L332 HydrophobicContact CG-CD2 4.38Å; R134-E333 IonicContact CZ-OE1 2.67Å; R134-E333 IonicContact CZ-OE2 3.42Å; R134-E333 IonicContact NH1-OE2 3.37Å; R134-E333 IonicContact NH2-OE1 3.93Å; R134-E333 PolarHBondContact NH2-OE1 3.14Å; R134-E333 IonicContact NH2-OE2 3.46Å; R134-E333 PolarHBondContact NH2-OE2 2.61Å; R134-C354 WeakPolarHBondContact CD-O 3.38Å; R134-C354 VanDerWaalsContact NH1-C 3.34Å; R134-C354 PolarHBondContact NH1-O 3.25Å; R134-K356 VanDerWaalsContact CZ-CE 3.5Å; R134-K356 VanDerWaalsContact NH1-CG 3.32Å; R134-K356 VanDerWaalsContact NH2-CE 3.26Å |
| 135 | Y | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 8% | 0.078 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.4 | -174.8 | -69.4 | -72.5 | 0 | 0 | 0 | 111.3 | E10 N12 I30 L40 Q41 V80 C133 | E10-Y135 HydrophobicContact CB-CE2 4.08Å; E10-Y135 WeakPolarHBondContact OE2-CE2 3.33Å; E10-Y135 PolarHBondContact OE2-OH 3.37Å; N12-Y135 PolarHBondContact ND2-O 2.96Å; N12-Y135 PolarHBondContact OD1-N 3.46Å; N12-Y135 PolarHBondContact OD1-O 3.46Å; I30-Y135 HydrophobicContact CD1-CD2 3.96Å; I30-Y135 HydrophobicContact CD1-CE2 4.21Å; I30-Y135 HydrophobicContact CG1-CD2 3.96Å; I30-Y135 HydrophobicContact CG1-CG 4.41Å; I30-Y135 HydrophobicContact CG2-CG 4.28Å; L40-Y135 VanDerWaalsContact O-CA 3.29Å; L40-Y135 WeakPolarHBondContact O-CA 3.33Å; Q41-Y135 HydrophobicContact CB-CD1 4.3Å; Q41-Y135 HydrophobicContact CB-CE1 3.8Å; Q41-Y135 HydrophobicContact CG-CE1 4.01Å; Q41-Y135 PolarHBondContact NE2-OH 3.12Å; V80-Y135 HydrophobicContact CG2-CD1 4.4Å; V80-Y135 HydrophobicContact CG2-CE1 4.28Å; C133-Y135 PolarHBondContact SG-O 3.38Å |
| 136 | Y | 98.9 | Very high | 98.6 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 8% | 0.078 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 136.4 | -176 | -178.5 | -109.6 | 0 | 0 | 0 | 110.6 | L40 M42 F121 C123 N131 H138 | L40-Y136 WeakPolarHBondContact CB-O 3.33Å; L40-Y136 PolarHBondContact N-O 2.94Å; L40-Y136 PolarHBondContact O-N 3.34Å; M42-Y136 VanDerWaalsContact SD-CB 3.58Å; M42-Y136 HydrophobicContact SD-CD1 4.41Å; M42-Y136 HydrophobicContact SD-CG 4.37Å; F121-Y136 VanDerWaalsContact CE1-OH 3.26Å; F121-Y136 WeakPolarHBondContact CE1-OH 3.43Å; F121-Y136 WeakPolarHBondContact CZ-OH 3.38Å; C123-Y136 PolarHBondContact SG-OH 2.97Å; N131-Y136 HydrophobicContact CB-CD1 3.78Å; N131-Y136 HydrophobicContact CB-CD2 3.95Å; N131-Y136 HydrophobicContact CB-CE1 4Å; N131-Y136 HydrophobicContact CB-CE2 4.19Å; N131-Y136 HydrophobicContact CB-CG 3.76Å; Y136-H138 HydrophobicContact CD1-CB 4.09Å; Y136-H138 HydrophobicContact CE1-CB 3.61Å; Y136-H138 AromaticContact CE1-CG 3.73Å; Y136-H138 AromaticContact CE1-ND1 3.55Å; Y136-H138 AromaticContact CZ-ND1 3.81Å; Y136-H138 PolarHBondContact OH-ND1 3.44Å |
| 137 | T | 98.8 | Very high | 98.7 | Very high | 36 Ų | 36 | 30.1 Ų | 30.1 | 22% | 0.221 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 137.5 | 171 | 45.4 | 0 | 0 | 0 | 0 | 110.7 | P31 P33 V38 L39 | P31-T137 HydrophobicContact CB-CG2 3.69Å; P31-T137 HydrophobicContact CG-CG2 3.82Å; P33-T137 HydrophobicContact CB-CG2 4.02Å; V38-T137 VanDerWaalsContact O-CA 3.26Å; V38-T137 WeakPolarHBondContact O-CA 3.36Å; L39-T137 HydrophobicContact CB-CG2 4.39Å; L39-T137 HydrophobicContact CD1-CG2 3.86Å |
| 138 | H | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.2 | 175.9 | -153.3 | 51.5 | 0 | 0 | 0 | 112.3 | D37 V38 L40 I97 E98 V101 F121 Y136 A140 | D37-H138 CarbonylContact C-O 3.57Å; D37-H138 VanDerWaalsContact CA-O 3.25Å; D37-H138 WeakPolarHBondContact CA-O 3.41Å; D37-H138 WeakPolarHBondContact CB-O 3.41Å; V38-H138 PolarHBondContact N-O 3.08Å; V38-H138 PolarHBondContact O-N 3.06Å; L40-H138 HydrophobicContact CD1-CB 4.47Å; I97-H138 VanDerWaalsContact CG2-CD2 3.5Å; I97-H138 WeakPolarHBondContact CG2-CD2 3.42Å; E98-H138 PolarHBondContact O-NE2 2.84Å; V101-H138 WeakPolarHBondContact CG2-CE1 3.36Å; V101-H138 VanDerWaalsContact CG2-NE2 3.31Å; V101-H138 WeakPolarHBondContact CG2-NE2 3.35Å; F121-H138 AromaticContact CE1-CE1 3.8Å; Y136-H138 HydrophobicContact CD1-CB 4.09Å; Y136-H138 HydrophobicContact CE1-CB 3.61Å; Y136-H138 AromaticContact CE1-CG 3.73Å; Y136-H138 AromaticContact CE1-ND1 3.55Å; Y136-H138 AromaticContact CZ-ND1 3.81Å; Y136-H138 PolarHBondContact OH-ND1 3.44Å; H138-A140 PolarHBondContact O-N 3.29Å |
| 139 | N | 98.8 | Very high | 98.8 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 128.4 | 175.8 | -171.9 | -83.6 | 0 | 0 | 0 | 110.9 | D37 V101 N141 F142 C143 | D37-N139 WeakPolarHBondContact OD1-CA 3.32Å; V101-N139 HydrophobicContact CG1-CB 3.84Å; V101-N139 HydrophobicContact CG2-CB 4.06Å; N139-N141 PolarHBondContact O-N 3.17Å; N139-N141 WeakPolarHBondContact OD1-CB 3.48Å; N139-N141 PolarHBondContact OD1-N 3.03Å; N139-F142 HydrophobicContact CB-CD2 4.26Å; N139-F142 PolarHBondContact O-N 3.19Å; N139-C143 PolarHBondContact O-SG 2.88Å |
| 140 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -63.3 | -26.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N36 V38 V86 H88 L89 H138 F142 C143 | N36-A140 WeakPolarHBondContact O-CB 3.35Å; N36-A140 PolarHBondContact O-N 3.32Å; V38-A140 HydrophobicContact CG1-CB 3.89Å; V86-A140 HydrophobicContact CB-CB 4.37Å; V86-A140 HydrophobicContact CG1-CB 3.85Å; V86-A140 HydrophobicContact CG2-CB 3.6Å; H88-A140 PolarHBondContact NE2-O 2.88Å; L89-A140 HydrophobicContact CD1-CB 4.41Å; H138-A140 PolarHBondContact O-N 3.29Å; A140-F142 VanDerWaalsContact C-N 3.25Å; A140-F142 PolarHBondContact O-N 3.16Å; A140-C143 PolarHBondContact O-N 2.7Å |
| 141 | N | 98.5 | Very high | 98.8 | Very high | 104 Ų | 104 | 36 Ų | 36 | 56% | 0.556 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -75.3 | -16.4 | 178.9 | -63.7 | -31.9 | 0 | 0 | 0 | 112.9 | N139 | N139-N141 PolarHBondContact O-N 3.17Å; N139-N141 WeakPolarHBondContact OD1-CB 3.48Å; N139-N141 PolarHBondContact OD1-N 3.03Å |
| 142 | F | 98.9 | Very high | 98.8 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.096 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -104.4 | 14.1 | 175.6 | -70.6 | -94.3 | 0 | 0 | 0 | 112 | E98 G100 V101 P102 Y114 N139 A140 | E98-F142 HydrophobicContact CB-CB 4.2Å; E98-F142 HydrophobicContact CB-CD1 4.01Å; E98-F142 HydrophobicContact CG-CD1 3.87Å; E98-F142 PolarHBondContact N-O 3.43Å; G100-F142 WeakPolarHBondContact O-CD1 3.26Å; G100-F142 WeakPolarHBondContact O-CE1 3.48Å; V101-F142 HydrophobicContact CB-CD2 4.35Å; V101-F142 HydrophobicContact CG1-CD2 3.98Å; V101-F142 HydrophobicContact CG1-CE2 4.02Å; V101-F142 HydrophobicContact CG2-CB 3.92Å; V101-F142 HydrophobicContact CG2-CD1 4.36Å; V101-F142 HydrophobicContact CG2-CD2 3.86Å; V101-F142 HydrophobicContact CG2-CG 3.78Å; P102-F142 HydrophobicContact CG-CZ 4.23Å; Y114-F142 HydrophobicContact CD2-CE1 4.38Å; Y114-F142 AromaticContact CE2-CE1 3.91Å; Y114-F142 HydrophobicContact CE2-CE1 3.91Å; N139-F142 HydrophobicContact CB-CD2 4.26Å; N139-F142 PolarHBondContact O-N 3.19Å; A140-F142 VanDerWaalsContact C-N 3.25Å; A140-F142 PolarHBondContact O-N 3.16Å |
| 143 | C | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.5 | 171.2 | -66.1 | 0 | 0 | 0 | 0 | 109.1 | V38 L89 V95 N139 A140 | V38-C143 HydrophobicContact CG2-CB 4.18Å; L89-C143 HydrophobicContact CD1-CB 3.72Å; V95-C143 HydrophobicContact CB-CB 4.25Å; V95-C143 HydrophobicContact CG1-CB 4.4Å; V95-C143 HydrophobicContact CG2-CB 4.24Å; N139-C143 PolarHBondContact O-SG 2.88Å; A140-C143 PolarHBondContact O-N 2.7Å |
| 144 | Y | 98.9 | Very high | 98.8 | Very high | 50 Ų | 50 | 36.8 Ų | 36.8 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.1 | -172.3 | -61.4 | -95.5 | 0 | 0 | 0 | 110.4 | V95 A96 E98 L146 Y308 P309 I312 | V95-Y144 CarbonylContact C-O 3.44Å; V95-Y144 WeakPolarHBondContact CA-O 3.48Å; A96-Y144 PolarHBondContact N-O 3Å; A96-Y144 PolarHBondContact O-N 3.2Å; E98-Y144 HydrophobicContact CB-CD2 4.41Å; E98-Y144 HydrophobicContact CB-CE2 3.75Å; E98-Y144 VanDerWaalsContact OE2-CE2 3.26Å; E98-Y144 WeakPolarHBondContact OE2-CE2 3.31Å; E98-Y144 PolarHBondContact OE2-OH 3Å; Y144-L146 PolarHBondContact O-N 3.02Å; Y144-Y308 AromaticContact CD2-CD1 3.53Å; Y144-Y308 HydrophobicContact CD2-CD1 3.53Å; Y144-Y308 HydrophobicContact CD2-CE1 4.5Å; Y144-Y308 AromaticContact CD2-CG 3.83Å; Y144-Y308 HydrophobicContact CD2-CG 3.83Å; Y144-Y308 VanDerWaalsContact CE2-CB 3.48Å; Y144-Y308 AromaticContact CE2-CD1 3.87Å; Y144-Y308 HydrophobicContact CE2-CD1 3.87Å; Y144-Y308 AromaticContact CE2-CG 3.74Å; Y144-Y308 HydrophobicContact CE2-CG 3.74Å; Y144-Y308 HydrophobicContact CG-CD1 4.3Å; Y144-P309 HydrophobicContact CD1-CG 4.07Å; Y144-P309 HydrophobicContact CE1-CG 3.66Å; Y144-I312 VanDerWaalsContact CB-CD1 3.48Å; Y144-I312 HydrophobicContact CG-CD1 4.37Å |
| 145 | K | 98.9 | Very high | 98.8 | Very high | 112 Ų | 112 | 36.3 Ų | 36.3 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 126.7 | 179.2 | -171.8 | -177.5 | 176.4 | -166.1 | 0 | 110.9 | L89 R94 | L89-K145 HydrophobicContact CD2-CB 4.19Å; R94-K145 WeakPolarHBondContact O-CA 3.4Å |
| 146 | L | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -81.2 | 132.5 | 174.3 | -65.7 | 175.8 | 0 | 0 | 0 | 110.3 | A76 R94 A96 Y144 I150 I158 I312 | A76-L146 HydrophobicContact CB-CD1 4.36Å; R94-L146 HydrophobicContact CB-CB 4.26Å; R94-L146 HydrophobicContact CB-CD1 4.43Å; R94-L146 PolarHBondContact O-N 2.74Å; A96-L146 HydrophobicContact CB-CD2 3.88Å; A96-L146 HydrophobicContact CB-CG 4.39Å; Y144-L146 PolarHBondContact O-N 3.02Å; L146-I150 HydrophobicContact CD2-CG2 4.09Å; L146-I158 HydrophobicContact CD2-CD1 3.98Å; L146-I312 HydrophobicContact CD2-CD1 4.49Å; L146-I312 HydrophobicContact CD2-CG1 4.42Å |
| 147 | P | 98.6 | Very high | 98.8 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 26% | 0.26 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -58.3 | 154.4 | 162.6 | -25 | 35.8 | 0 | 0 | 0 | 112.1 | R94 N149 I150 I312 | R94-P147 PolarHBondContact NH2-O 3.29Å; P147-N149 WeakPolarHBondContact CB-OD1 3.13Å; P147-N149 PolarHBondContact O-N 2.8Å; P147-N149 VanDerWaalsContact O-N 3.17Å; P147-I150 HydrophobicContact CB-CG1 4.44Å; P147-I150 HydrophobicContact CG-CD1 4.24Å; P147-I150 PolarHBondContact O-N 2.86Å; P147-I150 VanDerWaalsContact O-N 3.16Å; P147-I312 HydrophobicContact CG-CG2 3.89Å |
| 148 | D | 98.3 | Very high | 98.8 | Very high | 151 Ų | 151 | 32.8 Ų | 32.8 | 81% | 0.807 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29.2 | -176.3 | -63.4 | -20.5 | 0 | 0 | 0 | 112.6 | R94 | R94-D148 PolarHBondContact NH1-O 2.73Š|
| 149 | N | 98.5 | Very high | 98.8 | Very high | 94 Ų | 94 | 32.8 Ų | 32.8 | 50% | 0.503 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -2.4 | -178.6 | 75.2 | -43.2 | 0 | 0 | 0 | 115.5 | P147 S316 | P147-N149 WeakPolarHBondContact CB-OD1 3.13Å; P147-N149 PolarHBondContact O-N 2.8Å; P147-N149 VanDerWaalsContact O-N 3.17Å; N149-S316 PolarHBondContact ND2-O 3.44Å; N149-S316 PolarHBondContact OD1-OG 2.67Å; N149-S316 VanDerWaalsContact OD1-OG 3.13Å |
| 150 | I | 98.7 | Very high | 98.8 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -98.1 | 142.4 | 172 | -59.2 | -169.2 | 0 | 0 | 0 | 107.7 | R94 L146 P147 E154 I312 L315 | R94-I150 VanDerWaalsContact CZ-O 3.24Å; R94-I150 PolarHBondContact NH1-O 3.06Å; R94-I150 PolarHBondContact NH2-O 2.71Å; L146-I150 HydrophobicContact CD2-CG2 4.09Å; P147-I150 HydrophobicContact CB-CG1 4.44Å; P147-I150 HydrophobicContact CG-CD1 4.24Å; P147-I150 PolarHBondContact O-N 2.86Å; P147-I150 VanDerWaalsContact O-N 3.16Å; I150-E154 HydrophobicContact CG2-CB 3.47Å; I150-E154 VanDerWaalsContact CG2-CB 3.47Å; I150-I312 HydrophobicContact CD1-CG2 4.04Å; I150-L315 HydrophobicContact CD1-CB 3.7Å; I150-L315 HydrophobicContact CG1-CB 4.3Å |
| 151 | T | 98.9 | Very high | 98.8 | Very high | 35 Ų | 35 | 31.1 Ų | 31.1 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | trans | -86.4 | 177.5 | 173.4 | 78.3 | 0 | 0 | 0 | 0 | 113 | E153 E154 G155 P361 | T151-E153 PolarHBondContact OG1-N 2.69Å; T151-E154 PolarHBondContact N-OE2 2.9Å; T151-E154 PolarHBondContact OG1-N 3.14Å; T151-G155 PolarHBondContact O-N 3.48Å; T151-P361 WeakPolarHBondContact CB-O 3.43Å; T151-P361 VanDerWaalsContact CB-OXT 3.3Å; T151-P361 WeakPolarHBondContact CB-OXT 3.27Å; T151-P361 PolarHBondContact OG1-OXT 2.77Å | ||
| 152 | F | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.8 | -36.9 | 174 | -77.8 | -73.2 | 0 | 0 | 0 | 112.5 | H43 S44 A76 G77 R94 G155 A156 P361 | H43-F152 HydrophobicContact CB-CB 4.32Å; H43-F152 HydrophobicContact CB-CD1 3.83Å; H43-F152 HydrophobicContact CB-CD2 4.27Å; H43-F152 HydrophobicContact CB-CE1 4.07Å; H43-F152 HydrophobicContact CB-CE2 4.46Å; H43-F152 HydrophobicContact CB-CG 3.92Å; H43-F152 HydrophobicContact CB-CZ 4.34Å; H43-F152 AromaticContact CD2-CD2 3.41Å; H43-F152 VanDerWaalsContact CD2-CD2 3.41Å; H43-F152 WeakPolarHBondContact CD2-CD2 3.39Å; H43-F152 AromaticContact CD2-CE2 3.44Å; H43-F152 VanDerWaalsContact CD2-CE2 3.44Å; H43-F152 WeakPolarHBondContact CD2-CE2 3.37Å; H43-F152 AromaticContact CD2-CG 3.93Å; H43-F152 AromaticContact CE1-CD2 3.35Å; H43-F152 WeakPolarHBondContact CE1-CD2 3.17Å; H43-F152 AromaticContact CE1-CG 3.73Å; H43-F152 AromaticContact CG-CD1 3.92Å; H43-F152 AromaticContact CG-CD2 3.47Å; H43-F152 VanDerWaalsContact CG-CD2 3.47Å; H43-F152 AromaticContact CG-CE2 3.84Å; H43-F152 AromaticContact CG-CG 3.48Å; H43-F152 VanDerWaalsContact CG-CG 3.48Å; H43-F152 WeakPolarHBondContact ND1-CB 3.36Å; H43-F152 AromaticContact ND1-CD2 3.47Å; H43-F152 WeakPolarHBondContact ND1-CD2 3.42Å; H43-F152 AromaticContact ND1-CG 3.39Å; H43-F152 WeakPolarHBondContact ND1-CG 3.5Å; H43-F152 AromaticContact NE2-CD2 3.3Å; H43-F152 VanDerWaalsContact NE2-CD2 3.3Å; H43-F152 WeakPolarHBondContact NE2-CD2 3.08Å; H43-F152 AromaticContact NE2-CE2 3.63Å; S44-F152 WeakPolarHBondContact OG-CB 3.28Å; A76-F152 HydrophobicContact CB-CB 4.45Å; A76-F152 HydrophobicContact CB-CD1 4.01Å; A76-F152 VanDerWaalsContact CB-O 3.26Å; A76-F152 WeakPolarHBondContact CB-O 3.47Å; G77-F152 WeakPolarHBondContact O-CE1 3.46Å; R94-F152 HydrophobicContact CB-CE1 3.75Å; R94-F152 HydrophobicContact CB-CZ 3.98Å; R94-F152 VanDerWaalsContact CD-CZ 3.49Å; R94-F152 HydrophobicContact CG-CE1 3.79Å; R94-F152 HydrophobicContact CG-CE2 4.21Å; R94-F152 HydrophobicContact CG-CZ 3.45Å; R94-F152 VanDerWaalsContact CG-CZ 3.45Å; F152-G155 CarbonylContact O-C 3.54Å; F152-G155 WeakPolarHBondContact O-CA 3.48Å; F152-G155 PolarHBondContact O-N 3.37Å; F152-G155 VanDerWaalsContact O-N 3.14Å; F152-A156 PolarHBondContact O-N 2.89Å; F152-P361 PolarHBondContact N-OXT 2.7Å; F152-P361 VanDerWaalsContact N-OXT 3.17Å |
| 153 | E | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 173.5 | -76.2 | 176.5 | -168.7 | 0 | 0 | 111.8 | T151 G155 A156 L157 R329 M351 K353 P361 | T151-E153 PolarHBondContact OG1-N 2.69Å; E153-G155 PolarHBondContact O-N 2.99Å; E153-A156 PolarHBondContact O-N 2.73Å; E153-L157 WeakPolarHBondContact O-CB 3.26Å; E153-L157 WeakPolarHBondContact O-CD1 3.38Å; E153-L157 WeakPolarHBondContact O-CG 3.42Å; E153-L157 PolarHBondContact O-N 3.28Å; E153-R329 VanDerWaalsContact OE1-CD 3.22Å; E153-R329 WeakPolarHBondContact OE1-CD 3.41Å; E153-R329 IonicContact OE1-CZ 3.46Å; E153-R329 IonicContact OE1-NE 2.71Å; E153-R329 PolarHBondContact OE1-NE 3.32Å; E153-R329 IonicContact OE2-CZ 3.83Å; E153-R329 IonicContact OE2-NE 3.87Å; E153-R329 PolarHBondContact OE2-NE 3.32Å; E153-R329 IonicContact OE2-NH2 3.88Å; E153-R329 PolarHBondContact OE2-NH2 2.8Å; E153-M351 HydrophobicContact CG-CG 3.98Å; E153-M351 HydrophobicContact CG-SD 4.28Å; E153-K353 IonicContact OE1-NZ 3.21Å; E153-K353 PolarHBondContact OE1-NZ 2.84Å; E153-P361 VanDerWaalsContact CB-OXT 3.23Å; E153-P361 WeakPolarHBondContact CB-OXT 3.15Å; E153-P361 HydrophobicContact CG-CB 4.46Å; E153-P361 VanDerWaalsContact CG-OXT 3.22Å; E153-P361 WeakPolarHBondContact CG-OXT 3.23Å; E153-P361 PolarHBondContact N-OXT 3.48Å |
| 154 | E | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 5% | 0.047 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 170.5 | -70.9 | 179.9 | 109.8 | 0 | 0 | 111.2 | I150 T151 L157 I158 L315 V322 K323 | I150-E154 HydrophobicContact CG2-CB 3.47Å; I150-E154 VanDerWaalsContact CG2-CB 3.47Å; T151-E154 PolarHBondContact N-OE2 2.9Å; T151-E154 PolarHBondContact OG1-N 3.14Å; E154-L157 PolarHBondContact O-N 2.69Å; E154-I158 PolarHBondContact O-N 2.88Å; E154-L315 HydrophobicContact CB-CD1 4.4Å; E154-V322 HydrophobicContact CB-CG2 4.47Å; E154-V322 HydrophobicContact CG-CG2 4.13Å; E154-K323 HydrophobicContact CG-CG 3.98Å; E154-K323 WeakPolarHBondContact OE1-CE 3.35Å; E154-K323 IonicContact OE1-NZ 3.33Å; E154-K323 WeakPolarHBondContact OE2-CE 3.44Å; E154-K323 IonicContact OE2-NZ 3.74Å; E154-K323 PolarHBondContact OE2-NZ 2.82Å |
| 155 | G | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A96 T151 F152 E153 I158 | A96-G155 WeakPolarHBondContact CB-O 3.32Å; T151-G155 PolarHBondContact O-N 3.48Å; F152-G155 CarbonylContact O-C 3.54Å; F152-G155 WeakPolarHBondContact O-CA 3.48Å; F152-G155 PolarHBondContact O-N 3.37Å; F152-G155 VanDerWaalsContact O-N 3.14Å; E153-G155 PolarHBondContact O-N 2.99Å; G155-I158 WeakPolarHBondContact O-CB 3.22Å; G155-I158 PolarHBondContact O-N 2.99Å |
| 156 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | E74 F152 E153 I158 E159 M351 | E74-A156 WeakPolarHBondContact O-CB 3.24Å; F152-A156 PolarHBondContact O-N 2.89Å; E153-A156 PolarHBondContact O-N 2.73Å; A156-I158 PolarHBondContact O-N 2.89Å; A156-E159 PolarHBondContact O-N 3.46Å; A156-M351 HydrophobicContact CB-CE 4.48Å; A156-M351 HydrophobicContact CB-SD 4.11Å |
| 157 | L | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.1 | 177.3 | -71.1 | 166.1 | 0 | 0 | 0 | 114.1 | E153 E154 E159 P160 L161 V322 V326 K349 M351 | E153-L157 WeakPolarHBondContact O-CB 3.26Å; E153-L157 WeakPolarHBondContact O-CD1 3.38Å; E153-L157 WeakPolarHBondContact O-CG 3.42Å; E153-L157 PolarHBondContact O-N 3.28Å; E154-L157 PolarHBondContact O-N 2.69Å; L157-E159 PolarHBondContact O-N 2.84Å; L157-P160 HydrophobicContact CD2-CG 4.15Å; L157-P160 VanDerWaalsContact O-CD 3.3Å; L157-P160 WeakPolarHBondContact O-CD 3.36Å; L157-P160 WeakPolarHBondContact O-CG 3.31Å; L157-L161 WeakPolarHBondContact O-CB 3.31Å; L157-L161 PolarHBondContact O-N 3.11Å; L157-V322 HydrophobicContact CB-CB 4.34Å; L157-V322 HydrophobicContact CB-CG2 3.87Å; L157-V322 HydrophobicContact CD1-CB 3.96Å; L157-V322 HydrophobicContact CD1-CG2 3.58Å; L157-V322 HydrophobicContact CG-CG2 4.38Å; L157-V326 HydrophobicContact CD1-CG2 3.68Å; L157-V326 HydrophobicContact CD2-CG2 4.49Å; L157-V326 HydrophobicContact CG-CG2 4.42Å; L157-K349 HydrophobicContact CD2-CB 4.45Å; L157-K349 HydrophobicContact CD2-CG 3.87Å; L157-M351 HydrophobicContact CD2-CE 4.27Å; L157-M351 HydrophobicContact CG-CE 4.5Å |
| 158 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.1 | -31.2 | 171.7 | -71.8 | 165.3 | 0 | 0 | 0 | 111 | A96 L146 E154 G155 A156 S162 Y308 A311 I312 L315 | A96-I158 HydrophobicContact CB-CD1 3.71Å; L146-I158 HydrophobicContact CD2-CD1 3.98Å; E154-I158 PolarHBondContact O-N 2.88Å; G155-I158 WeakPolarHBondContact O-CB 3.22Å; G155-I158 PolarHBondContact O-N 2.99Å; A156-I158 PolarHBondContact O-N 2.89Å; I158-S162 WeakPolarHBondContact O-CB 3.37Å; I158-S162 PolarHBondContact O-N 2.87Å; I158-S162 PolarHBondContact O-OG 3.48Å; I158-Y308 HydrophobicContact CB-CD1 4.49Å; I158-Y308 HydrophobicContact CB-CE1 4.28Å; I158-Y308 HydrophobicContact CG2-CD1 3.43Å; I158-Y308 VanDerWaalsContact CG2-CD1 3.43Å; I158-Y308 HydrophobicContact CG2-CD2 4.03Å; I158-Y308 HydrophobicContact CG2-CE1 3.53Å; I158-Y308 HydrophobicContact CG2-CE2 4.08Å; I158-Y308 HydrophobicContact CG2-CG 3.69Å; I158-A311 HydrophobicContact CB-CB 4.34Å; I158-A311 HydrophobicContact CG1-CB 4.12Å; I158-A311 HydrophobicContact CG2-CB 3.61Å; I158-I312 HydrophobicContact CD1-CD1 4.34Å; I158-I312 HydrophobicContact CD1-CG1 3.5Å; I158-L315 HydrophobicContact CD1-CD1 4.17Å; I158-L315 HydrophobicContact CG1-CD1 3.67Å |
| 159 | E | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 4% | 0.042 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.5 | -60.7 | 176.5 | -164.2 | -62.4 | 151.9 | 0 | 0 | 110.8 | H73 E74 P99 A156 L157 L161 S162 V163 Y304 Y308 | H73-E159 IonicContact CD2-OE1 3.79Å; E74-E159 HydrophobicContact CB-CB 3.91Å; E74-E159 HydrophobicContact CB-CG 4.17Å; E74-E159 HydrophobicContact CG-CB 4Å; E74-E159 HydrophobicContact CG-CG 3.88Å; E74-E159 WeakPolarHBondContact CG-OE2 3.27Å; P99-E159 HydrophobicContact CG-CG 4.08Å; A156-E159 PolarHBondContact O-N 3.46Å; L157-E159 PolarHBondContact O-N 2.84Å; E159-L161 VanDerWaalsContact C-N 3.32Å; E159-L161 PolarHBondContact O-N 3.3Å; E159-S162 VanDerWaalsContact O-CB 3.27Å; E159-S162 WeakPolarHBondContact O-CB 3.39Å; E159-S162 PolarHBondContact O-N 3.06Å; E159-S162 VanDerWaalsContact O-N 3.09Å; E159-V163 PolarHBondContact O-N 2.87Å; E159-Y304 VanDerWaalsContact CD-OH 3.26Å; E159-Y304 HydrophobicContact CG-CE1 4.4Å; E159-Y304 VanDerWaalsContact CG-OH 3.23Å; E159-Y304 WeakPolarHBondContact CG-OH 3.26Å; E159-Y304 WeakPolarHBondContact O-CE1 3.21Å; E159-Y304 WeakPolarHBondContact OE1-CE1 3.49Å; E159-Y304 VanDerWaalsContact OE1-CZ 3.3Å; E159-Y304 PolarHBondContact OE1-OH 2.94Å; E159-Y308 WeakPolarHBondContact CA-OH 3.35Å; E159-Y308 WeakPolarHBondContact CB-OH 3.21Å |
| 160 | P | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.9 | -34.2 | 179.6 | 23.4 | -34.3 | 0 | 0 | 0 | 111.7 | L157 S162 V163 G164 I187 V190 | L157-P160 HydrophobicContact CD2-CG 4.15Å; L157-P160 VanDerWaalsContact O-CD 3.3Å; L157-P160 WeakPolarHBondContact O-CD 3.36Å; L157-P160 WeakPolarHBondContact O-CG 3.31Å; P160-S162 PolarHBondContact O-N 3.31Å; P160-V163 WeakPolarHBondContact O-CB 3.39Å; P160-V163 PolarHBondContact O-N 2.91Å; P160-V163 VanDerWaalsContact O-N 3.1Å; P160-G164 PolarHBondContact O-N 3.47Å; P160-I187 HydrophobicContact CB-CD1 4.43Å; P160-V190 HydrophobicContact CB-CG1 4.48Å; P160-V190 VanDerWaalsContact O-CG2 3.27Å; P160-V190 WeakPolarHBondContact O-CG2 3.4Å |
| 161 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.5 | -36.1 | 174.3 | -176.8 | 62.2 | 0 | 0 | 0 | 111.6 | L157 E159 V163 G164 I165 V190 I193 V194 A311 L315 V320 V322 | L157-L161 WeakPolarHBondContact O-CB 3.31Å; L157-L161 PolarHBondContact O-N 3.11Å; E159-L161 VanDerWaalsContact C-N 3.32Å; E159-L161 PolarHBondContact O-N 3.3Å; L161-V163 VanDerWaalsContact C-N 3.3Å; L161-V163 PolarHBondContact O-N 3.05Å; L161-G164 PolarHBondContact O-N 3.4Å; L161-G164 VanDerWaalsContact O-N 3.13Å; L161-I165 HydrophobicContact CG-CD1 4.21Å; L161-I165 WeakPolarHBondContact O-CG1 3.19Å; L161-I165 PolarHBondContact O-N 3Å; L161-V190 HydrophobicContact CD1-CB 4.36Å; L161-I193 HydrophobicContact CD1-CG2 4.4Å; L161-V194 HydrophobicContact CD1-CG2 3.5Å; L161-V194 HydrophobicContact CG-CG2 4.49Å; L161-A311 HydrophobicContact CD2-CB 4.05Å; L161-L315 HydrophobicContact CD2-CD1 4.35Å; L161-L315 HydrophobicContact CD2-CD2 4.36Å; L161-L315 HydrophobicContact CD2-CG 4.23Å; L161-V320 HydrophobicContact CD1-CG1 4.48Å; L161-V320 HydrophobicContact CD2-CG1 4.41Å; L161-V322 HydrophobicContact CD1-CG1 4.28Å; L161-V322 HydrophobicContact CD2-CG1 4.16Å |
| 162 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.6 | -34.4 | 176.1 | -71.4 | 0 | 0 | 0 | 0 | 112.7 | I158 E159 P160 I165 H166 Y304 T307 | I158-S162 WeakPolarHBondContact O-CB 3.37Å; I158-S162 PolarHBondContact O-N 2.87Å; I158-S162 PolarHBondContact O-OG 3.48Å; E159-S162 VanDerWaalsContact O-CB 3.27Å; E159-S162 WeakPolarHBondContact O-CB 3.39Å; E159-S162 PolarHBondContact O-N 3.06Å; E159-S162 VanDerWaalsContact O-N 3.09Å; P160-S162 PolarHBondContact O-N 3.31Å; S162-I165 PolarHBondContact O-N 2.94Å; S162-H166 WeakPolarHBondContact O-CB 3.44Å; S162-H166 PolarHBondContact O-N 3.24Å; S162-Y304 VanDerWaalsContact CB-CD1 3.48Å; S162-Y304 VanDerWaalsContact CB-CG 3.5Å; S162-T307 WeakPolarHBondContact CB-OG1 3.17Å; S162-T307 WeakPolarHBondContact OG-CB 3.41Å; S162-T307 PolarHBondContact OG-OG1 3.11Å |
| 163 | V | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 14 Ų | 14 | 10% | 0.097 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 171.3 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | E159 P160 L161 H166 A167 I187 V277 Y304 | E159-V163 PolarHBondContact O-N 2.87Å; P160-V163 WeakPolarHBondContact O-CB 3.39Å; P160-V163 PolarHBondContact O-N 2.91Å; P160-V163 VanDerWaalsContact O-N 3.1Å; L161-V163 VanDerWaalsContact C-N 3.3Å; L161-V163 PolarHBondContact O-N 3.05Å; V163-H166 PolarHBondContact O-N 3.23Å; V163-A167 VanDerWaalsContact O-CB 3.31Å; V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 2.87Å; V163-I187 HydrophobicContact CB-CD1 4.3Å; V163-I187 HydrophobicContact CG1-CD1 4.25Å; V163-I187 HydrophobicContact CG1-CG2 4.07Å; V163-I187 HydrophobicContact CG2-CD1 4.42Å; V163-V277 HydrophobicContact CG1-CG1 3.63Å; V163-Y304 HydrophobicContact CB-CD1 4.48Å; V163-Y304 HydrophobicContact CG2-CD1 3.69Å; V163-Y304 HydrophobicContact CG2-CE1 3.81Å |
| 164 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | P160 L161 A167 C168 | P160-G164 PolarHBondContact O-N 3.47Å; L161-G164 PolarHBondContact O-N 3.4Å; L161-G164 VanDerWaalsContact O-N 3.13Å; G164-A167 PolarHBondContact O-N 3.35Å; G164-C168 WeakPolarHBondContact O-CB 3.38Å; G164-C168 PolarHBondContact O-N 2.72Å; G164-C168 PolarHBondContact O-SG 2.93Å |
| 165 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.4 | -50 | 175.7 | -67.9 | 168.7 | 0 | 0 | 0 | 110.5 | L161 S162 C168 R169 V194 T307 M310 A311 M314 | L161-I165 HydrophobicContact CG-CD1 4.21Å; L161-I165 WeakPolarHBondContact O-CG1 3.19Å; L161-I165 PolarHBondContact O-N 3Å; S162-I165 PolarHBondContact O-N 2.94Å; I165-C168 PolarHBondContact O-N 3.32Å; I165-R169 HydrophobicContact CG2-CG 4.45Å; I165-R169 WeakPolarHBondContact O-CB 3.35Å; I165-R169 VanDerWaalsContact O-CG 3.31Å; I165-R169 WeakPolarHBondContact O-CG 3.33Å; I165-R169 PolarHBondContact O-N 3.46Å; I165-V194 HydrophobicContact CG1-CG1 4.2Å; I165-V194 HydrophobicContact CG1-CG2 3.8Å; I165-T307 HydrophobicContact CB-CG2 4.07Å; I165-T307 HydrophobicContact CG2-CG2 3.73Å; I165-M310 HydrophobicContact CD1-CG 4.39Å; I165-M310 HydrophobicContact CG2-SD 3.86Å; I165-A311 HydrophobicContact CD1-CB 3.74Å; I165-M314 HydrophobicContact CD1-SD 4.04Å; I165-M314 HydrophobicContact CG1-SD 4.32Å |
| 166 | H | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 26 Ų | 26 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.7 | -41.2 | -177.2 | -169.6 | 77.2 | 0 | 0 | 0 | 111.8 | S162 V163 R169 R170 T307 | S162-H166 WeakPolarHBondContact O-CB 3.44Å; S162-H166 PolarHBondContact O-N 3.24Å; V163-H166 PolarHBondContact O-N 3.23Å; H166-R169 PolarHBondContact O-N 3.23Å; H166-R170 VanDerWaalsContact NE2-CD 3.27Å; H166-R170 WeakPolarHBondContact NE2-CD 3.34Å; H166-R170 WeakPolarHBondContact O-CB 3.43Å; H166-R170 WeakPolarHBondContact O-CG 3.4Å; H166-R170 PolarHBondContact O-N 3.45Å; H166-T307 HydrophobicContact CB-CG2 4.24Å |
| 167 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59 | -49.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V163 G164 R169 R170 A171 I252 V277 V301 | V163-A167 VanDerWaalsContact O-CB 3.31Å; V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 2.87Å; G164-A167 PolarHBondContact O-N 3.35Å; A167-R169 PolarHBondContact O-N 3.36Å; A167-R170 PolarHBondContact O-N 3.3Å; A167-A171 WeakPolarHBondContact O-CB 3.31Å; A167-A171 PolarHBondContact O-N 3.25Å; A167-I252 HydrophobicContact CB-CG2 4.24Å; A167-V277 HydrophobicContact CB-CG2 3.92Å; A167-V301 HydrophobicContact CB-CG2 4.13Å |
| 168 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 179.2 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | G164 I165 A171 G172 V173 V194 M198 | G164-C168 WeakPolarHBondContact O-CB 3.38Å; G164-C168 PolarHBondContact O-N 2.72Å; G164-C168 PolarHBondContact O-SG 2.93Å; I165-C168 PolarHBondContact O-N 3.32Å; C168-A171 PolarHBondContact O-N 2.75Å; C168-G172 PolarHBondContact O-N 3.12Å; C168-G172 VanDerWaalsContact O-N 3.07Å; C168-V173 HydrophobicContact CB-CB 3.99Å; C168-V173 HydrophobicContact CB-CG2 3.84Å; C168-V173 PolarHBondContact O-N 2.82Å; C168-V194 HydrophobicContact CB-CG1 3.67Å; C168-V194 VanDerWaalsContact SG-CG1 3.57Å; C168-M198 HydrophobicContact CB-SD 3.44Å; C168-M198 WeakPolarHBondContact CB-SD 3.48Å |
| 169 | R | 98.7 | Very high | 98.7 | Very high | 89 Ų | 89 | 26.9 Ų | 26.9 | 34% | 0.336 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 173.2 | -76.6 | 177.7 | 178.9 | 175.7 | -0.4 | 111.7 | I165 H166 A167 A171 G172 N306 M310 | I165-R169 HydrophobicContact CG2-CG 4.45Å; I165-R169 WeakPolarHBondContact O-CB 3.35Å; I165-R169 VanDerWaalsContact O-CG 3.31Å; I165-R169 WeakPolarHBondContact O-CG 3.33Å; I165-R169 PolarHBondContact O-N 3.46Å; H166-R169 PolarHBondContact O-N 3.23Å; A167-R169 PolarHBondContact O-N 3.36Å; R169-A171 VanDerWaalsContact C-N 3.29Å; R169-A171 PolarHBondContact O-N 3.31Å; R169-G172 PolarHBondContact O-N 3.37Å; R169-G172 VanDerWaalsContact O-N 3.12Å; R169-N306 PolarHBondContact NH1-O 2.96Å; R169-N306 PolarHBondContact NH2-O 3.31Å; R169-M310 PolarHBondContact NH2-SD 3.13Å |
| 170 | R | 98.7 | Very high | 98.7 | Very high | 89 Ų | 89 | 26.4 Ų | 26.4 | 34% | 0.336 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.9 | -28.4 | 179.7 | -74.4 | -159.3 | 65.5 | 175.6 | -3.4 | 113.4 | H166 A167 G172 L275 R299 G300 | H166-R170 VanDerWaalsContact NE2-CD 3.27Å; H166-R170 WeakPolarHBondContact NE2-CD 3.34Å; H166-R170 WeakPolarHBondContact O-CB 3.43Å; H166-R170 WeakPolarHBondContact O-CG 3.4Å; H166-R170 PolarHBondContact O-N 3.45Å; A167-R170 PolarHBondContact O-N 3.3Å; R170-G172 VanDerWaalsContact C-N 3.34Å; R170-L275 HydrophobicContact CB-CD1 3.72Å; R170-R299 PolarHBondContact O-NH1 2.8Å; R170-G300 PolarHBondContact NE-O 2.76Å; R170-G300 PolarHBondContact NH1-O 3.25Å; R170-G300 PolarHBondContact NH2-O 3.21Å |
| 171 | A | 98.3 | Very high | 98.8 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 5% | 0.05 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -76.3 | -19.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A167 C168 R169 V173 I250 L275 | A167-A171 WeakPolarHBondContact O-CB 3.31Å; A167-A171 PolarHBondContact O-N 3.25Å; C168-A171 PolarHBondContact O-N 2.75Å; R169-A171 VanDerWaalsContact C-N 3.29Å; R169-A171 PolarHBondContact O-N 3.31Å; A171-V173 HydrophobicContact CB-CG2 4.11Å; A171-I250 HydrophobicContact CB-CD1 4.2Å; A171-I250 HydrophobicContact CB-CG1 4.37Å; A171-I250 HydrophobicContact CB-CG2 3.54Å; A171-L275 HydrophobicContact CB-CD2 3.52Å; A171-L275 HydrophobicContact CB-CG 3.85Å |
| 172 | G | 98.5 | Very high | 98.7 | Very high | 44 Ų | 44 | 26.4 Ų | 26.4 | 45% | 0.454 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 33.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C168 R169 R170 T174 | C168-G172 PolarHBondContact O-N 3.12Å; C168-G172 VanDerWaalsContact O-N 3.07Å; R169-G172 PolarHBondContact O-N 3.37Å; R169-G172 VanDerWaalsContact O-N 3.12Å; R170-G172 VanDerWaalsContact C-N 3.34Å; G172-T174 PolarHBondContact O-N 3.49Å |
| 173 | V | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.036 | 15% | 0.154 | C | C | . | . | trans | -58.3 | 130.8 | 170.5 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | C168 A171 V179 A195 M198 A200 I250 | C168-V173 HydrophobicContact CB-CB 3.99Å; C168-V173 HydrophobicContact CB-CG2 3.84Å; C168-V173 PolarHBondContact O-N 2.82Å; A171-V173 HydrophobicContact CB-CG2 4.11Å; V173-V179 HydrophobicContact CG1-CG2 4.46Å; V173-V179 HydrophobicContact CG2-CG2 4.32Å; V173-A195 HydrophobicContact CG1-CB 4.28Å; V173-M198 HydrophobicContact CB-SD 4.37Å; V173-M198 HydrophobicContact CG1-CB 3.95Å; V173-M198 WeakPolarHBondContact O-CE 3.31Å; V173-A200 HydrophobicContact CG1-CB 4.28Å; V173-I250 HydrophobicContact CB-CD1 4.18Å; V173-I250 HydrophobicContact CG2-CD1 3.64Å; V173-I250 HydrophobicContact CG2-CG2 4.21Å | ||
| 174 | T | 98.6 | Very high | 98.7 | Very high | 86 Ų | 86 | 25.9 Ų | 25.9 | 53% | 0.528 | 15% | 0.149 | S | C | . | . | trans | -151 | -179.8 | -177.7 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | G172 G176 S177 M198 | G172-T174 PolarHBondContact O-N 3.49Å; T174-G176 PolarHBondContact O-N 3.28Å; T174-S177 PolarHBondContact N-OG 3Å; T174-S177 WeakPolarHBondContact O-CB 3.27Å; T174-S177 PolarHBondContact O-N 3.43Å; T174-S177 PolarHBondContact O-OG 2.85Å; T174-M198 CarbonylContact C-O 3.52Å | ||
| 175 | L | 98.7 | Very high | 98.6 | Very high | 146 Ų | 146 | 26.5 Ų | 26.5 | 76% | 0.764 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 124.8 | 177 | -175.1 | 65.1 | 0 | 0 | 0 | 110.5 | M198 G199 | L175-M198 PolarHBondContact N-O 3.43Å; L175-G199 WeakPolarHBondContact CA-O 3.26Å |
| 176 | G | 98.4 | Very high | 98.5 | Very high | 37 Ų | 37 | 28 Ų | 28 | 38% | 0.381 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -8.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | T174 G199 S201 | T174-G176 PolarHBondContact O-N 3.28Å; G176-G199 PolarHBondContact N-O 2.95Å; G176-S201 PolarHBondContact O-OG 2.86Å |
| 177 | S | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | trans | -55.7 | 141.4 | 178.6 | -66 | 0 | 0 | 0 | 0 | 112.7 | T174 A200 S201 K202 | T174-S177 PolarHBondContact N-OG 3Å; T174-S177 WeakPolarHBondContact O-CB 3.27Å; T174-S177 PolarHBondContact O-N 3.43Å; T174-S177 PolarHBondContact O-OG 2.85Å; S177-A200 CarbonylContact O-C 3.54Å; S177-A200 VanDerWaalsContact O-CA 3.31Å; S177-A200 WeakPolarHBondContact O-CA 3.43Å; S177-S201 PolarHBondContact O-N 3.31Å; S177-S201 PolarHBondContact O-OG 2.78Å; S177-K202 PolarHBondContact O-N 2.84Å | ||
| 178 | T | 98.9 | Very high | 98.5 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119 | 167.5 | -58.6 | 0 | 0 | 0 | 0 | 108.3 | K202 L244 T246 P248 Q249 I250 | T178-K202 CarbonylContact C-O 3.42Å; T178-K202 WeakPolarHBondContact CA-O 3.38Å; T178-K202 HydrophobicContact CG2-CB 4.02Å; T178-L244 HydrophobicContact CG2-CD1 3.73Å; T178-L244 HydrophobicContact CG2-CD2 3.92Å; T178-L244 HydrophobicContact CG2-CG 4.34Å; T178-T246 HydrophobicContact CG2-CG2 4.15Å; T178-P248 HydrophobicContact CG2-CB 4.25Å; T178-P248 WeakPolarHBondContact O-CA 3.36Å; T178-Q249 VanDerWaalsContact CB-OE1 3.24Å; T178-Q249 PolarHBondContact O-N 2.8Å; T178-Q249 PolarHBondContact O-OE1 2.98Å; T178-I250 PolarHBondContact O-N 2.6Å |
| 179 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.2 | -169.4 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | V173 I181 A195 A200 K202 V203 I204 I250 I252 | V173-V179 HydrophobicContact CG1-CG2 4.46Å; V173-V179 HydrophobicContact CG2-CG2 4.32Å; V179-I181 HydrophobicContact CG1-CG1 3.98Å; V179-A195 HydrophobicContact CG2-CB 4.49Å; V179-A200 HydrophobicContact CG2-CB 3.96Å; V179-K202 PolarHBondContact N-O 2.88Å; V179-V203 HydrophobicContact CB-CG1 4.39Å; V179-V203 HydrophobicContact CB-CG2 4.27Å; V179-V203 WeakPolarHBondContact O-CA 3.46Å; V179-I204 PolarHBondContact O-N 2.83Å; V179-I250 CarbonylContact C-O 3.44Å; V179-I250 VanDerWaalsContact CA-O 3.29Å; V179-I250 WeakPolarHBondContact CA-O 3.49Å; V179-I250 HydrophobicContact CG1-CG2 4.17Å; V179-I250 HydrophobicContact CG2-CB 4.33Å; V179-I252 HydrophobicContact CG1-CD1 4.23Å; V179-I252 HydrophobicContact CG1-CG1 4.25Å |
| 180 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.4 | 161.7 | 166.3 | 65.5 | 0 | 0 | 0 | 109 | I204 T206 V240 P248 I250 T251 I252 A267 | L180-I204 CarbonylContact C-O 3.57Å; L180-I204 WeakPolarHBondContact CA-O 3.12Å; L180-I204 HydrophobicContact CB-CG2 4Å; L180-I204 HydrophobicContact CD1-CG2 3.78Å; L180-T206 HydrophobicContact CD1-CG2 3.83Å; L180-V240 HydrophobicContact CD1-CG1 4.4Å; L180-V240 HydrophobicContact CD1-CG2 4.08Å; L180-V240 HydrophobicContact CD2-CG1 4.29Å; L180-V240 HydrophobicContact CD2-CG2 4.36Å; L180-P248 HydrophobicContact CB-CB 4.01Å; L180-P248 HydrophobicContact CB-CG 3.79Å; L180-I250 PolarHBondContact N-O 3.19Å; L180-T251 HydrophobicContact CB-CG2 4.08Å; L180-T251 HydrophobicContact CD2-CG2 3.71Å; L180-T251 HydrophobicContact CG-CG2 3.77Å; L180-T251 CarbonylContact O-C 3.57Å; L180-T251 VanDerWaalsContact O-CA 3.24Å; L180-T251 WeakPolarHBondContact O-CA 3.31Å; L180-I252 PolarHBondContact O-N 2.89Å; L180-A267 HydrophobicContact CD2-CB 3.79Å |
| 181 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.4 | 171.1 | -59.7 | 176.4 | 0 | 0 | 0 | 108.1 | V179 L192 V203 I204 I205 T206 I252 | V179-I181 HydrophobicContact CG1-CG1 3.98Å; I181-L192 VanDerWaalsContact CD1-CA 3.4Å; I181-L192 HydrophobicContact CD1-CB 3.73Å; I181-L192 VanDerWaalsContact CD1-N 3.33Å; I181-V203 HydrophobicContact CD1-CG1 3.72Å; I181-V203 HydrophobicContact CG1-CG1 4.15Å; I181-I204 PolarHBondContact N-O 3.15Å; I181-I205 HydrophobicContact CB-CB 4.32Å; I181-I205 HydrophobicContact CB-CD1 4.31Å; I181-I205 HydrophobicContact CB-CG1 3.98Å; I181-I205 HydrophobicContact CG2-CD1 4Å; I181-I205 HydrophobicContact CG2-CG1 4.02Å; I181-I205 CarbonylContact O-C 3.57Å; I181-I205 WeakPolarHBondContact O-CA 3.32Å; I181-T206 PolarHBondContact O-N 2.84Å; I181-T206 PolarHBondContact O-OG1 2.85Å; I181-I252 WeakPolarHBondContact CA-O 3.26Å; I181-I252 HydrophobicContact CG1-CB 4.43Å |
| 182 | C | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.2 | 174.5 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | T206 I252 E253 C254 T255 C260 | C182-T206 WeakPolarHBondContact CA-OG1 3.43Å; C182-I252 PolarHBondContact N-O 2.72Å; C182-E253 HydrophobicContact CB-CG 4.25Å; C182-C254 CarbonylContact O-C 3.32Å; C182-C254 WeakPolarHBondContact O-CA 3.46Å; C182-C254 VanDerWaalsContact O-CB 3.25Å; C182-C254 WeakPolarHBondContact O-CB 3.43Å; C182-C254 PolarHBondContact O-N 3.37Å; C182-T255 HydrophobicContact CB-CG2 4.36Å; C182-T255 WeakPolarHBondContact O-CG2 3.38Å; C182-C260 HydrophobicContact CB-CB 4.32Å |
| 183 | G | 98.2 | Very high | 98.5 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | trans | 97.4 | 129.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G188 T206 | G183-G188 WeakPolarHBondContact O-CA 3.34Å; G183-T206 CarbonylContact C-O 3.48Å; G183-T206 WeakPolarHBondContact CA-O 3.22Å; G183-T206 PolarHBondContact N-O 3.48Å | ||
| 184 | A | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -107.3 | 28.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L189 I205 T206 D207 R212 L213 | A184-L189 HydrophobicContact CB-CD2 4.3Å; A184-I205 HydrophobicContact CB-CD1 3.8Å; A184-I205 HydrophobicContact CB-CG1 4.12Å; A184-T206 PolarHBondContact N-O 3.18Å; A184-D207 WeakPolarHBondContact CA-OD2 3.31Å; A184-D207 HydrophobicContact CB-CB 3.66Å; A184-D207 PolarHBondContact N-OD2 3.34Å; A184-R212 HydrophobicContact CB-CB 3.76Å; A184-L213 HydrophobicContact CB-CD2 4.18Å | ||
| 185 | G | 97 | Very high | 98.6 | Very high | 13 Ų | 13 | 14.8 Ų | 14.8 | 13% | 0.134 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -70.7 | 179.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112 | I187 G188 L189 | G185-I187 VanDerWaalsContact C-N 3.27Å; G185-I187 PolarHBondContact O-N 2.89Å; G185-I187 VanDerWaalsContact O-N 3.11Å; G185-G188 PolarHBondContact O-N 3.28Å; G185-L189 WeakPolarHBondContact O-CG 3.31Å; G185-L189 PolarHBondContact O-N 2.67Å |
| 186 | P | 97.6 | Very high | 98.6 | Very high | 33 Ų | 33 | 10.8 Ų | 10.8 | 21% | 0.214 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -50.2 | -43.2 | -176.2 | -28.7 | 34.7 | 0 | 0 | 0 | 114.2 | L189 V190 I348 | P186-L189 PolarHBondContact O-N 2.82Å; P186-V190 WeakPolarHBondContact O-CG2 3.26Å; P186-V190 PolarHBondContact O-N 2.97Å; P186-I348 HydrophobicContact CB-CG2 4.36Å; P186-I348 HydrophobicContact CG-CG2 3.95Å; P186-I348 VanDerWaalsContact CG-O 3.26Å; P186-I348 WeakPolarHBondContact CG-O 3.38Å |
| 187 | I | 98.4 | Very high | 98.6 | Very high | 44 Ų | 44 | 11.3 Ų | 11.3 | 23% | 0.226 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 179.9 | -59.2 | -56.2 | 0 | 0 | 0 | 112.5 | P160 V163 G185 V190 S191 C254 V277 | P160-I187 HydrophobicContact CB-CD1 4.43Å; V163-I187 HydrophobicContact CB-CD1 4.3Å; V163-I187 HydrophobicContact CG1-CD1 4.25Å; V163-I187 HydrophobicContact CG1-CG2 4.07Å; V163-I187 HydrophobicContact CG2-CD1 4.42Å; G185-I187 VanDerWaalsContact C-N 3.27Å; G185-I187 PolarHBondContact O-N 2.89Å; G185-I187 VanDerWaalsContact O-N 3.11Å; I187-V190 VanDerWaalsContact O-CG2 3.22Å; I187-V190 WeakPolarHBondContact O-CG2 3.25Å; I187-S191 VanDerWaalsContact O-CB 3.32Å; I187-S191 WeakPolarHBondContact O-CB 3.38Å; I187-S191 PolarHBondContact O-N 3.33Å; I187-S191 PolarHBondContact O-OG 2.75Å; I187-C254 HydrophobicContact CB-CB 4.43Å; I187-C254 HydrophobicContact CG2-CB 4.14Å; I187-V277 HydrophobicContact CG2-CB 4.44Å; I187-V277 HydrophobicContact CG2-CG1 3.62Å |
| 188 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G183 G185 S191 L192 | G183-G188 WeakPolarHBondContact O-CA 3.34Å; G185-G188 PolarHBondContact O-N 3.28Å; G188-S191 PolarHBondContact O-N 3.22Å; G188-L192 WeakPolarHBondContact O-CB 3.35Å; G188-L192 PolarHBondContact O-N 3.36Å |
| 189 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 179.1 | -63.1 | 178.1 | 0 | 0 | 0 | 112.5 | A184 G185 P186 S191 L192 I193 I205 M215 A216 L219 L325 I348 | A184-L189 HydrophobicContact CB-CD2 4.3Å; G185-L189 WeakPolarHBondContact O-CG 3.31Å; G185-L189 PolarHBondContact O-N 2.67Å; P186-L189 PolarHBondContact O-N 2.82Å; L189-S191 VanDerWaalsContact C-N 3.33Å; L189-L192 WeakPolarHBondContact O-CB 3.3Å; L189-L192 PolarHBondContact O-N 3.37Å; L189-I193 VanDerWaalsContact O-CG1 3.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 3.29Å; L189-I205 HydrophobicContact CD2-CD1 4.3Å; L189-M215 HydrophobicContact CD1-CG 4.31Å; L189-M215 HydrophobicContact CD1-SD 3.71Å; L189-A216 HydrophobicContact CD2-CB 3.61Å; L189-L219 HydrophobicContact CB-CD1 4.14Å; L189-L219 HydrophobicContact CD1-CD1 4.3Å; L189-L219 HydrophobicContact CD2-CD1 4.15Å; L189-L219 HydrophobicContact CG-CD1 4.42Å; L189-L325 HydrophobicContact CB-CD2 3.76Å; L189-L325 HydrophobicContact CD1-CD2 3.73Å; L189-L325 HydrophobicContact CG-CD2 4.41Å; L189-I348 HydrophobicContact CD1-CD1 4.05Å; L189-I348 HydrophobicContact CD1-CG1 4.32Å; L189-I348 HydrophobicContact CD1-CG2 3.82Å |
| 190 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.1 | -34 | 173.1 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | P160 L161 P186 I187 L192 I193 V194 L325 | P160-V190 HydrophobicContact CB-CG1 4.48Å; P160-V190 VanDerWaalsContact O-CG2 3.27Å; P160-V190 WeakPolarHBondContact O-CG2 3.4Å; L161-V190 HydrophobicContact CD1-CB 4.36Å; P186-V190 WeakPolarHBondContact O-CG2 3.26Å; P186-V190 PolarHBondContact O-N 2.97Å; I187-V190 VanDerWaalsContact O-CG2 3.22Å; I187-V190 WeakPolarHBondContact O-CG2 3.25Å; V190-L192 VanDerWaalsContact C-N 3.34Å; V190-I193 PolarHBondContact O-N 2.83Å; V190-V194 WeakPolarHBondContact O-CB 3.32Å; V190-V194 WeakPolarHBondContact O-CG2 3.41Å; V190-V194 PolarHBondContact O-N 3.1Å; V190-L325 HydrophobicContact CG1-CD1 3.58Å |
| 191 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 173.4 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | I187 G188 L189 A195 | I187-S191 VanDerWaalsContact O-CB 3.32Å; I187-S191 WeakPolarHBondContact O-CB 3.38Å; I187-S191 PolarHBondContact O-N 3.33Å; I187-S191 PolarHBondContact O-OG 2.75Å; G188-S191 PolarHBondContact O-N 3.22Å; L189-S191 VanDerWaalsContact C-N 3.33Å; S191-A195 WeakPolarHBondContact O-CB 3.49Å; S191-A195 PolarHBondContact O-N 2.89Å |
| 192 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.3 | -54.4 | 173 | 164.1 | 65.3 | 0 | 0 | 0 | 111 | I181 G188 L189 V190 V194 A195 K196 V203 A216 L219 A221 | I181-L192 VanDerWaalsContact CD1-CA 3.4Å; I181-L192 HydrophobicContact CD1-CB 3.73Å; I181-L192 VanDerWaalsContact CD1-N 3.33Å; G188-L192 WeakPolarHBondContact O-CB 3.35Å; G188-L192 PolarHBondContact O-N 3.36Å; L189-L192 WeakPolarHBondContact O-CB 3.3Å; L189-L192 PolarHBondContact O-N 3.37Å; V190-L192 VanDerWaalsContact C-N 3.34Å; L192-V194 VanDerWaalsContact C-N 3.27Å; L192-V194 PolarHBondContact O-N 3.39Å; L192-A195 PolarHBondContact O-N 3.3Å; L192-K196 HydrophobicContact CD1-CD 4.46Å; L192-K196 HydrophobicContact CD1-CG 3.94Å; L192-K196 WeakPolarHBondContact O-CG 3.24Å; L192-K196 PolarHBondContact O-N 3.09Å; L192-V203 HydrophobicContact CD1-CB 3.9Å; L192-V203 HydrophobicContact CD1-CG1 3.52Å; L192-V203 HydrophobicContact CD1-CG2 4.41Å; L192-A216 HydrophobicContact CD2-CB 3.97Å; L192-A216 VanDerWaalsContact CD2-O 3.32Å; L192-A216 WeakPolarHBondContact CD2-O 3.49Å; L192-L219 HydrophobicContact CD2-CB 4.12Å; L192-A221 HydrophobicContact CD1-CB 3.96Å; L192-A221 HydrophobicContact CD2-CB 3.81Å |
| 193 | I | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 6% | 0.062 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.4 | -47.9 | 179.8 | -74.8 | 169.7 | 0 | 0 | 0 | 110.5 | L161 L189 V190 A197 L219 V320 V322 L325 | L161-I193 HydrophobicContact CD1-CG2 4.4Å; L189-I193 VanDerWaalsContact O-CG1 3.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 3.29Å; V190-I193 PolarHBondContact O-N 2.83Å; I193-A197 WeakPolarHBondContact O-CB 3.43Å; I193-A197 PolarHBondContact O-N 2.8Å; I193-L219 HydrophobicContact CD1-CD1 4.22Å; I193-L219 HydrophobicContact CD1-CD2 4.14Å; I193-L219 HydrophobicContact CG1-CB 4.36Å; I193-L219 HydrophobicContact CG1-CD2 4.48Å; I193-V320 HydrophobicContact CG2-CB 3.96Å; I193-V320 HydrophobicContact CG2-CG1 3.24Å; I193-V320 HydrophobicContact CG2-CG2 3.54Å; I193-V322 HydrophobicContact CD1-CG1 4.45Å; I193-L325 HydrophobicContact CD1-CD1 4.28Å |
| 194 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.2 | -45.4 | 179.6 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L161 I165 C168 V190 L192 K196 A197 M198 | L161-V194 HydrophobicContact CD1-CG2 3.5Å; L161-V194 HydrophobicContact CG-CG2 4.49Å; I165-V194 HydrophobicContact CG1-CG1 4.2Å; I165-V194 HydrophobicContact CG1-CG2 3.8Å; C168-V194 HydrophobicContact CB-CG1 3.67Å; C168-V194 VanDerWaalsContact SG-CG1 3.57Å; V190-V194 WeakPolarHBondContact O-CB 3.32Å; V190-V194 WeakPolarHBondContact O-CG2 3.41Å; V190-V194 PolarHBondContact O-N 3.1Å; L192-V194 VanDerWaalsContact C-N 3.27Å; L192-V194 PolarHBondContact O-N 3.39Å; V194-K196 VanDerWaalsContact C-N 3.3Å; V194-K196 PolarHBondContact O-N 2.87Å; V194-A197 CarbonylContact O-C 3.52Å; V194-A197 PolarHBondContact O-N 2.95Å; V194-A197 VanDerWaalsContact O-N 3.12Å; V194-M198 HydrophobicContact CG1-CG 4.18Å; V194-M198 HydrophobicContact CG1-SD 3.78Å; V194-M198 WeakPolarHBondContact O-CB 3.29Å; V194-M198 WeakPolarHBondContact O-CG 3.3Å; V194-M198 PolarHBondContact O-N 3.1Å |
| 195 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V173 V179 S191 L192 M198 G199 A200 V203 | V173-A195 HydrophobicContact CG1-CB 4.28Å; V179-A195 HydrophobicContact CG2-CB 4.49Å; S191-A195 WeakPolarHBondContact O-CB 3.49Å; S191-A195 PolarHBondContact O-N 2.89Å; L192-A195 PolarHBondContact O-N 3.3Å; A195-M198 PolarHBondContact O-N 3.09Å; A195-G199 PolarHBondContact O-N 3.24Å; A195-A200 HydrophobicContact CB-CB 4.23Å; A195-A200 WeakPolarHBondContact O-CB 3.45Å; A195-A200 PolarHBondContact O-N 3.16Å; A195-V203 HydrophobicContact CB-CG2 4.28Å |
| 196 | K | 98.8 | Very high | 98.6 | Very high | 61 Ų | 61 | 21 Ų | 21 | 27% | 0.265 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 174 | -63.4 | -59.2 | -68.8 | 179.3 | 0 | 111.6 | L192 V194 M198 G199 A200 V203 G220 D222 | L192-K196 HydrophobicContact CD1-CD 4.46Å; L192-K196 HydrophobicContact CD1-CG 3.94Å; L192-K196 WeakPolarHBondContact O-CG 3.24Å; L192-K196 PolarHBondContact O-N 3.09Å; V194-K196 VanDerWaalsContact C-N 3.3Å; V194-K196 PolarHBondContact O-N 2.87Å; K196-M198 PolarHBondContact O-N 3.09Å; K196-G199 PolarHBondContact O-N 2.83Å; K196-A200 PolarHBondContact NZ-O 3.37Å; K196-V203 HydrophobicContact CD-CB 4.14Å; K196-V203 HydrophobicContact CD-CG2 3.46Å; K196-V203 VanDerWaalsContact CD-CG2 3.46Å; K196-V203 HydrophobicContact CG-CG2 4.22Å; K196-G220 WeakPolarHBondContact CD-O 3.48Å; K196-G220 WeakPolarHBondContact CE-O 3.27Å; K196-D222 IonicContact NZ-OD1 2.88Å; K196-D222 PolarHBondContact NZ-OD1 3.35Å; K196-D222 IonicContact NZ-OD2 2.73Å; K196-D222 PolarHBondContact NZ-OD2 2.91Å |
| 197 | A | 98.4 | Very high | 98.7 | Very high | 48 Ų | 48 | 20.1 Ų | 20.1 | 40% | 0.397 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.9 | -26.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I193 V194 G199 M314 V320 | I193-A197 WeakPolarHBondContact O-CB 3.43Å; I193-A197 PolarHBondContact O-N 2.8Å; V194-A197 CarbonylContact O-C 3.52Å; V194-A197 PolarHBondContact O-N 2.95Å; V194-A197 VanDerWaalsContact O-N 3.12Å; A197-G199 VanDerWaalsContact C-N 3.3Å; A197-M314 HydrophobicContact CB-CE 3.47Å; A197-M314 VanDerWaalsContact CB-CE 3.47Å; A197-V320 HydrophobicContact CB-CG2 3.74Å |
| 198 | M | 98.5 | Very high | 98.5 | Very high | 64 Ų | 64 | 21.7 Ų | 21.7 | 32% | 0.315 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0 | 174.6 | -69.3 | -175.6 | 76.2 | 0 | 0 | 113.7 | C168 V173 T174 L175 V194 A195 K196 | C168-M198 HydrophobicContact CB-SD 3.44Å; C168-M198 WeakPolarHBondContact CB-SD 3.48Å; V173-M198 HydrophobicContact CB-SD 4.37Å; V173-M198 HydrophobicContact CG1-CB 3.95Å; V173-M198 WeakPolarHBondContact O-CE 3.31Å; T174-M198 CarbonylContact C-O 3.52Å; L175-M198 PolarHBondContact N-O 3.43Å; V194-M198 HydrophobicContact CG1-CG 4.18Å; V194-M198 HydrophobicContact CG1-SD 3.78Å; V194-M198 WeakPolarHBondContact O-CB 3.29Å; V194-M198 WeakPolarHBondContact O-CG 3.3Å; V194-M198 PolarHBondContact O-N 3.1Å; A195-M198 PolarHBondContact O-N 3.09Å; K196-M198 PolarHBondContact O-N 3.09Å |
| 199 | G | 98.4 | Very high | 98.3 | Very high | 23 Ų | 23 | 26.2 Ų | 26.2 | 24% | 0.237 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | 18.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | L175 G176 A195 K196 A197 S201 | L175-G199 WeakPolarHBondContact CA-O 3.26Å; G176-G199 PolarHBondContact N-O 2.95Å; A195-G199 PolarHBondContact O-N 3.24Å; K196-G199 PolarHBondContact O-N 2.83Å; A197-G199 VanDerWaalsContact C-N 3.3Å; G199-S201 PolarHBondContact O-N 2.88Å |
| 200 | A | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 29 Ų | 29 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | trans | -56.7 | 124 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V173 S177 V179 A195 K196 V203 | V173-A200 HydrophobicContact CG1-CB 4.28Å; S177-A200 CarbonylContact O-C 3.54Å; S177-A200 VanDerWaalsContact O-CA 3.31Å; S177-A200 WeakPolarHBondContact O-CA 3.43Å; V179-A200 HydrophobicContact CG2-CB 3.96Å; A195-A200 HydrophobicContact CB-CB 4.23Å; A195-A200 WeakPolarHBondContact O-CB 3.45Å; A195-A200 PolarHBondContact O-N 3.16Å; K196-A200 PolarHBondContact NZ-O 3.37Å; A200-V203 HydrophobicContact CB-CG2 3.75Å | ||
| 201 | S | 98.3 | Very high | 97.8 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 45% | 0.448 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -75.9 | -33 | -176.3 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | G176 S177 G199 | G176-S201 PolarHBondContact O-OG 2.86Å; S177-S201 PolarHBondContact O-N 3.31Å; S177-S201 PolarHBondContact O-OG 2.78Å; G199-S201 PolarHBondContact O-N 2.88Å |
| 202 | K | 98.6 | Very high | 97.7 | Very high | 76 Ų | 76 | 37.8 Ų | 37.8 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 127.6 | 178.3 | -68.8 | -178.8 | 176 | 179.9 | 0 | 109.8 | S177 T178 V179 D222 F223 L244 | S177-K202 PolarHBondContact O-N 2.84Å; T178-K202 CarbonylContact C-O 3.42Å; T178-K202 WeakPolarHBondContact CA-O 3.38Å; T178-K202 HydrophobicContact CG2-CB 4.02Å; V179-K202 PolarHBondContact N-O 2.88Å; K202-D222 WeakPolarHBondContact CA-OD2 3.26Å; K202-F223 HydrophobicContact CB-CE2 4.31Å; K202-F223 HydrophobicContact CD-CE2 4.22Å; K202-F223 HydrophobicContact CG-CE2 4.14Å; K202-L244 HydrophobicContact CB-CD2 4.05Å; K202-L244 HydrophobicContact CD-CD2 4.31Å; K202-L244 PolarHBondContact NZ-O 3.43Å |
| 203 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.2 | 171.9 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | V179 I181 L192 A195 K196 A200 D222 F223 | V179-V203 HydrophobicContact CB-CG1 4.39Å; V179-V203 HydrophobicContact CB-CG2 4.27Å; V179-V203 WeakPolarHBondContact O-CA 3.46Å; I181-V203 HydrophobicContact CD1-CG1 3.72Å; I181-V203 HydrophobicContact CG1-CG1 4.15Å; L192-V203 HydrophobicContact CD1-CB 3.9Å; L192-V203 HydrophobicContact CD1-CG1 3.52Å; L192-V203 HydrophobicContact CD1-CG2 4.41Å; A195-V203 HydrophobicContact CB-CG2 4.28Å; K196-V203 HydrophobicContact CD-CB 4.14Å; K196-V203 HydrophobicContact CD-CG2 3.46Å; K196-V203 VanDerWaalsContact CD-CG2 3.46Å; K196-V203 HydrophobicContact CG-CG2 4.22Å; A200-V203 HydrophobicContact CB-CG2 3.75Å; V203-D222 PolarHBondContact N-OD2 3.13Å; V203-D222 PolarHBondContact O-N 3.01Å; V203-D222 VanDerWaalsContact O-N 3.09Å; V203-F223 PolarHBondContact O-N 2.96Å; V203-F223 VanDerWaalsContact O-N 3.1Å |
| 204 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 134.8 | 168.6 | -176.5 | 168.6 | 0 | 0 | 0 | 109 | V179 L180 I181 F223 L225 V240 I243 L244 | V179-I204 PolarHBondContact O-N 2.83Å; L180-I204 CarbonylContact C-O 3.57Å; L180-I204 WeakPolarHBondContact CA-O 3.12Å; L180-I204 HydrophobicContact CB-CG2 4Å; L180-I204 HydrophobicContact CD1-CG2 3.78Å; I181-I204 PolarHBondContact N-O 3.15Å; I204-F223 WeakPolarHBondContact CA-O 3.18Å; I204-F223 HydrophobicContact CB-CB 3.91Å; I204-F223 HydrophobicContact CD1-CB 4.17Å; I204-F223 HydrophobicContact CG1-CB 3.83Å; I204-L225 HydrophobicContact CD1-CB 4.23Å; I204-V240 HydrophobicContact CD1-CG1 4.46Å; I204-V240 HydrophobicContact CD1-CG2 4.29Å; I204-V240 HydrophobicContact CG2-CG1 4.13Å; I204-I243 HydrophobicContact CD1-CB 4.08Å; I204-I243 HydrophobicContact CD1-CD1 4.14Å; I204-I243 HydrophobicContact CD1-CG2 3.85Å; I204-L244 HydrophobicContact CB-CD2 4.02Å; I204-L244 HydrophobicContact CB-CG 4.29Å; I204-L244 HydrophobicContact CG2-CD1 3.64Å; I204-L244 HydrophobicContact CG2-CD2 3.92Å; I204-L244 HydrophobicContact CG2-CG 3.88Å |
| 205 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.4 | 177.3 | -168.9 | 165.3 | 0 | 0 | 0 | 111 | I181 A184 L189 L213 A216 A221 F223 Q224 L225 | I181-I205 HydrophobicContact CB-CB 4.32Å; I181-I205 HydrophobicContact CB-CD1 4.31Å; I181-I205 HydrophobicContact CB-CG1 3.98Å; I181-I205 HydrophobicContact CG2-CD1 4Å; I181-I205 HydrophobicContact CG2-CG1 4.02Å; I181-I205 CarbonylContact O-C 3.57Å; I181-I205 WeakPolarHBondContact O-CA 3.32Å; A184-I205 HydrophobicContact CB-CD1 3.8Å; A184-I205 HydrophobicContact CB-CG1 4.12Å; L189-I205 HydrophobicContact CD2-CD1 4.3Å; I205-L213 HydrophobicContact CG2-CD2 3.95Å; I205-L213 WeakPolarHBondContact O-CD2 3.44Å; I205-A216 HydrophobicContact CD1-CB 4.06Å; I205-A216 HydrophobicContact CG2-CB 3.63Å; I205-A221 HydrophobicContact CG2-CB 3.8Å; I205-F223 PolarHBondContact N-O 3.33Å; I205-F223 VanDerWaalsContact N-O 3.11Å; I205-Q224 HydrophobicContact CG2-CG 4.2Å; I205-Q224 WeakPolarHBondContact O-CA 3.47Å; I205-L225 PolarHBondContact O-N 3.23Å |
| 206 | T | 98.7 | Very high | 97.4 | Very high | 10 Ų | 10 | 41 Ų | 41 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.6 | 179.6 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | L180 I181 C182 G183 A184 L225 V227 | L180-T206 HydrophobicContact CD1-CG2 3.83Å; I181-T206 PolarHBondContact O-N 2.84Å; I181-T206 PolarHBondContact O-OG1 2.85Å; C182-T206 WeakPolarHBondContact CA-OG1 3.43Å; G183-T206 CarbonylContact C-O 3.48Å; G183-T206 WeakPolarHBondContact CA-O 3.22Å; G183-T206 PolarHBondContact N-O 3.48Å; A184-T206 PolarHBondContact N-O 3.18Å; T206-L225 VanDerWaalsContact CA-O 3.27Å; T206-L225 WeakPolarHBondContact CA-O 3.42Å; T206-L225 HydrophobicContact CG2-CB 4.04Å; T206-L225 HydrophobicContact CG2-CD2 4.08Å; T206-L225 HydrophobicContact CG2-CG 4.26Å; T206-V227 HydrophobicContact CG2-CG1 4.17Å |
| 207 | D | 98 | Very high | 97.4 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 162.6 | 171.2 | -157.3 | -79 | 0 | 0 | 0 | 110.1 | A184 F209 L213 L225 T226 V227 | A184-D207 WeakPolarHBondContact CA-OD2 3.31Å; A184-D207 HydrophobicContact CB-CB 3.66Å; A184-D207 PolarHBondContact N-OD2 3.34Å; D207-F209 VanDerWaalsContact OD1-CD2 3.28Å; D207-F209 WeakPolarHBondContact OD1-CD2 3.5Å; D207-F209 PolarHBondContact OD1-N 3.47Å; D207-L213 HydrophobicContact CB-CD1 4.44Å; D207-L213 HydrophobicContact CB-CD2 3.84Å; D207-L213 HydrophobicContact CB-CG 3.94Å; D207-L225 PolarHBondContact N-O 2.82Å; D207-T226 WeakPolarHBondContact O-CA 3.44Å; D207-V227 PolarHBondContact O-N 2.9Å |
| 208 | L | 95.6 | Very high | 97.4 | Very high | 76 Ų | 76 | 49.9 Ų | 49.9 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -74.3 | -31.9 | 172.8 | -66.8 | 168.2 | 0 | 0 | 0 | 111.4 | V227 K229 | L208-V227 HydrophobicContact CD2-CG2 3.8Å; L208-V227 WeakPolarHBondContact CD2-O 3.42Å; L208-V227 HydrophobicContact CG-CG2 4.11Å; L208-K229 HydrophobicContact CD2-CG 4.1Å |
| 209 | F | 94.2 | Very high | 97.3 | Very high | 95 Ų | 95 | 48.2 Ų | 48.2 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | trans | -100.6 | 116.4 | -169.1 | -60.9 | -72.3 | 0 | 0 | 0 | 111.1 | D207 E211 R212 L213 | D207-F209 VanDerWaalsContact OD1-CD2 3.28Å; D207-F209 WeakPolarHBondContact OD1-CD2 3.5Å; D207-F209 PolarHBondContact OD1-N 3.47Å; F209-E211 VanDerWaalsContact C-N 3.27Å; F209-E211 HydrophobicContact CB-CG 4.34Å; F209-E211 PolarHBondContact O-N 2.69Å; F209-R212 HydrophobicContact CB-CB 4.34Å; F209-R212 HydrophobicContact CB-CG 3.95Å; F209-R212 PolarHBondContact O-N 3.41Å; F209-L213 PolarHBondContact O-N 3.23Å | ||
| 210 | A | 94.1 | Very high | 97.3 | Very high | 59 Ų | 59 | 48.6 Ų | 48.6 | 49% | 0.488 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64 | -33.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R212 L213 A214 | A210-R212 VanDerWaalsContact C-N 3.32Å; A210-R212 PolarHBondContact O-N 3.05Å; A210-L213 WeakPolarHBondContact O-CB 3.41Å; A210-L213 PolarHBondContact O-N 3.1Å; A210-A214 PolarHBondContact O-N 2.79Å |
| 211 | E | 93.4 | Very high | 97.3 | Very high | 131 Ų | 131 | 48.7 Ų | 48.7 | 61% | 0.612 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.7 | -35.6 | 175.9 | 61.5 | -87.3 | -148.9 | 0 | 0 | 112.6 | F209 A214 M215 | F209-E211 VanDerWaalsContact C-N 3.27Å; F209-E211 HydrophobicContact CB-CG 4.34Å; F209-E211 PolarHBondContact O-N 2.69Å; E211-A214 PolarHBondContact O-N 2.8Å; E211-M215 PolarHBondContact O-N 2.91Å |
| 212 | R | 95.5 | Very high | 97.3 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 21% | 0.208 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.7 | -37.9 | 175.6 | -63.9 | -171.5 | 172.5 | -176.8 | -2.9 | 111.5 | A184 F209 A210 A214 M215 A216 I348 | A184-R212 HydrophobicContact CB-CB 3.76Å; F209-R212 HydrophobicContact CB-CB 4.34Å; F209-R212 HydrophobicContact CB-CG 3.95Å; F209-R212 PolarHBondContact O-N 3.41Å; A210-R212 VanDerWaalsContact C-N 3.32Å; A210-R212 PolarHBondContact O-N 3.05Å; R212-A214 VanDerWaalsContact C-N 3.33Å; R212-M215 PolarHBondContact O-N 2.81Å; R212-A216 PolarHBondContact O-N 3.05Å; R212-I348 HydrophobicContact CG-CD1 4.04Å |
| 213 | L | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 174.3 | -67.5 | 175.7 | 0 | 0 | 0 | 112.1 | A184 I205 D207 F209 A210 A216 K217 Q224 T226 | A184-L213 HydrophobicContact CB-CD2 4.18Å; I205-L213 HydrophobicContact CG2-CD2 3.95Å; I205-L213 WeakPolarHBondContact O-CD2 3.44Å; D207-L213 HydrophobicContact CB-CD1 4.44Å; D207-L213 HydrophobicContact CB-CD2 3.84Å; D207-L213 HydrophobicContact CB-CG 3.94Å; F209-L213 PolarHBondContact O-N 3.23Å; A210-L213 WeakPolarHBondContact O-CB 3.41Å; A210-L213 PolarHBondContact O-N 3.1Å; L213-A216 WeakPolarHBondContact O-CB 3.47Å; L213-A216 PolarHBondContact O-N 2.67Å; L213-K217 PolarHBondContact O-N 2.95Å; L213-Q224 HydrophobicContact CB-CB 4.12Å; L213-Q224 HydrophobicContact CB-CG 4.06Å; L213-Q224 HydrophobicContact CD1-CB 4.43Å; L213-Q224 HydrophobicContact CD2-CB 4.15Å; L213-Q224 HydrophobicContact CD2-CG 4.35Å; L213-Q224 HydrophobicContact CG-CB 4.47Å; L213-T226 WeakPolarHBondContact CD1-OG1 3.33Å |
| 214 | A | 96.9 | Very high | 97.3 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A210 E211 R212 A216 K217 E218 | A210-A214 PolarHBondContact O-N 2.79Å; E211-A214 PolarHBondContact O-N 2.8Å; R212-A214 VanDerWaalsContact C-N 3.33Å; A214-A216 VanDerWaalsContact C-N 3.31Å; A214-A216 PolarHBondContact O-N 2.79Å; A214-K217 VanDerWaalsContact O-CB 3.25Å; A214-K217 WeakPolarHBondContact O-CB 3.13Å; A214-K217 PolarHBondContact O-N 2.84Å; A214-K217 VanDerWaalsContact O-N 3.17Å; A214-E218 PolarHBondContact O-N 2.94Å; A214-E218 VanDerWaalsContact O-N 3.16Å |
| 215 | M | 97.1 | Very high | 97.3 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 15% | 0.148 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 172.9 | -177.4 | 177.6 | -68.3 | 0 | 0 | 111.7 | L189 E211 R212 K217 E218 L219 L325 T327 I348 | L189-M215 HydrophobicContact CD1-CG 4.31Å; L189-M215 HydrophobicContact CD1-SD 3.71Å; E211-M215 PolarHBondContact O-N 2.91Å; R212-M215 PolarHBondContact O-N 2.81Å; M215-K217 PolarHBondContact O-N 3.46Å; M215-E218 WeakPolarHBondContact O-CB 3.23Å; M215-E218 PolarHBondContact O-N 2.91Å; M215-E218 VanDerWaalsContact O-N 3.12Å; M215-L219 HydrophobicContact CG-CD1 3.82Å; M215-L219 HydrophobicContact CG-CG 4.27Å; M215-L219 WeakPolarHBondContact O-CG 3.18Å; M215-L219 PolarHBondContact O-N 3.33Å; M215-L219 HydrophobicContact SD-CD1 4.3Å; M215-L325 HydrophobicContact SD-CD2 4.28Å; M215-T327 HydrophobicContact CE-CG2 4.18Å; M215-I348 HydrophobicContact CE-CG1 3.75Å; M215-I348 HydrophobicContact SD-CB 4.38Å; M215-I348 HydrophobicContact SD-CD1 4.43Å; M215-I348 HydrophobicContact SD-CG1 3.66Å; M215-I348 HydrophobicContact SD-CG2 4.45Å |
| 216 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -37 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L189 L192 I205 R212 L213 A214 L219 G220 A221 | L189-A216 HydrophobicContact CD2-CB 3.61Å; L192-A216 HydrophobicContact CD2-CB 3.97Å; L192-A216 VanDerWaalsContact CD2-O 3.32Å; L192-A216 WeakPolarHBondContact CD2-O 3.49Å; I205-A216 HydrophobicContact CD1-CB 4.06Å; I205-A216 HydrophobicContact CG2-CB 3.63Å; R212-A216 PolarHBondContact O-N 3.05Å; L213-A216 WeakPolarHBondContact O-CB 3.47Å; L213-A216 PolarHBondContact O-N 2.67Å; A214-A216 VanDerWaalsContact C-N 3.31Å; A214-A216 PolarHBondContact O-N 2.79Å; A216-L219 CarbonylContact O-C 3.44Å; A216-L219 PolarHBondContact O-N 3.37Å; A216-G220 PolarHBondContact O-N 2.54Å; A216-A221 HydrophobicContact CB-CB 4.19Å; A216-A221 WeakPolarHBondContact O-CB 3.28Å; A216-A221 PolarHBondContact O-N 2.89Å |
| 217 | K | 98.3 | Very high | 97 | Very high | 135 Ų | 135 | 56.3 Ų | 56.3 | 59% | 0.587 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.3 | -48.7 | 172.1 | -168 | 174.6 | 179.2 | 179 | 0 | 111.9 | L213 A214 M215 L219 G220 Q224 | L213-K217 PolarHBondContact O-N 2.95Å; A214-K217 VanDerWaalsContact O-CB 3.25Å; A214-K217 WeakPolarHBondContact O-CB 3.13Å; A214-K217 PolarHBondContact O-N 2.84Å; A214-K217 VanDerWaalsContact O-N 3.17Å; M215-K217 PolarHBondContact O-N 3.46Å; K217-L219 PolarHBondContact O-N 3.42Å; K217-G220 PolarHBondContact O-N 3.21Å; K217-Q224 VanDerWaalsContact CG-NE2 3.28Å |
| 218 | E | 97.4 | Very high | 96.8 | Very high | 160 Ų | 160 | 61.8 Ų | 61.8 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.5 | -31.5 | 178.7 | -66.4 | 174.6 | -177.6 | 0 | 0 | 112.1 | A214 M215 G220 | A214-E218 PolarHBondContact O-N 2.94Å; A214-E218 VanDerWaalsContact O-N 3.16Å; M215-E218 WeakPolarHBondContact O-CB 3.23Å; M215-E218 PolarHBondContact O-N 2.91Å; M215-E218 VanDerWaalsContact O-N 3.12Å; E218-G220 VanDerWaalsContact C-N 3.3Å; E218-G220 PolarHBondContact O-N 2.99Å |
| 219 | L | 97.8 | Very high | 96.4 | Very high | 29 Ų | 29 | 66.9 Ų | 66.9 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2.6 | 176.6 | -66.4 | 173.6 | 0 | 0 | 0 | 114.2 | L189 L192 I193 M215 A216 K217 P324 L325 | L189-L219 HydrophobicContact CB-CD1 4.14Å; L189-L219 HydrophobicContact CD1-CD1 4.3Å; L189-L219 HydrophobicContact CD2-CD1 4.15Å; L189-L219 HydrophobicContact CG-CD1 4.42Å; L192-L219 HydrophobicContact CD2-CB 4.12Å; I193-L219 HydrophobicContact CD1-CD1 4.22Å; I193-L219 HydrophobicContact CD1-CD2 4.14Å; I193-L219 HydrophobicContact CG1-CB 4.36Å; I193-L219 HydrophobicContact CG1-CD2 4.48Å; M215-L219 HydrophobicContact CG-CD1 3.82Å; M215-L219 HydrophobicContact CG-CG 4.27Å; M215-L219 WeakPolarHBondContact O-CG 3.18Å; M215-L219 PolarHBondContact O-N 3.33Å; M215-L219 HydrophobicContact SD-CD1 4.3Å; A216-L219 CarbonylContact O-C 3.44Å; A216-L219 PolarHBondContact O-N 3.37Å; K217-L219 PolarHBondContact O-N 3.42Å; L219-P324 HydrophobicContact CD2-CB 4.21Å; L219-P324 HydrophobicContact CD2-CG 4.13Å; L219-L325 HydrophobicContact CD1-CD2 3.68Å |
| 220 | G | 97.8 | Very high | 96.3 | Very high | 31 Ų | 31 | 69.3 Ų | 69.3 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.7 | 18.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K196 A216 K217 E218 D222 | K196-G220 WeakPolarHBondContact CD-O 3.48Å; K196-G220 WeakPolarHBondContact CE-O 3.27Å; A216-G220 PolarHBondContact O-N 2.54Å; K217-G220 PolarHBondContact O-N 3.21Å; E218-G220 VanDerWaalsContact C-N 3.3Å; E218-G220 PolarHBondContact O-N 2.99Å; G220-D222 PolarHBondContact O-N 2.81Å |
| 221 | A | 98.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | trans | -63.9 | 124 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L192 I205 A216 F223 | L192-A221 HydrophobicContact CD1-CB 3.96Å; L192-A221 HydrophobicContact CD2-CB 3.81Å; I205-A221 HydrophobicContact CG2-CB 3.8Å; A216-A221 HydrophobicContact CB-CB 4.19Å; A216-A221 WeakPolarHBondContact O-CB 3.28Å; A216-A221 PolarHBondContact O-N 2.89Å; A221-F223 VanDerWaalsContact C-N 3.31Å | ||
| 222 | D | 98.8 | Very high | 96.3 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -70.7 | -33.4 | 178.6 | -52.2 | -75.2 | 0 | 0 | 0 | 110.9 | K196 K202 V203 G220 | K196-D222 IonicContact NZ-OD1 2.88Å; K196-D222 PolarHBondContact NZ-OD1 3.35Å; K196-D222 IonicContact NZ-OD2 2.73Å; K196-D222 PolarHBondContact NZ-OD2 2.91Å; K202-D222 WeakPolarHBondContact CA-OD2 3.26Å; V203-D222 PolarHBondContact N-OD2 3.13Å; V203-D222 PolarHBondContact O-N 3.01Å; V203-D222 VanDerWaalsContact O-N 3.09Å; G220-D222 PolarHBondContact O-N 2.81Å |
| 223 | F | 98.7 | Very high | 96.4 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.1 | 179.3 | -52.4 | -82.7 | 0 | 0 | 0 | 111.4 | K202 V203 I204 I205 A221 I243 L244 | K202-F223 HydrophobicContact CB-CE2 4.31Å; K202-F223 HydrophobicContact CD-CE2 4.22Å; K202-F223 HydrophobicContact CG-CE2 4.14Å; V203-F223 PolarHBondContact O-N 2.96Å; V203-F223 VanDerWaalsContact O-N 3.1Å; I204-F223 WeakPolarHBondContact CA-O 3.18Å; I204-F223 HydrophobicContact CB-CB 3.91Å; I204-F223 HydrophobicContact CD1-CB 4.17Å; I204-F223 HydrophobicContact CG1-CB 3.83Å; I205-F223 PolarHBondContact N-O 3.33Å; I205-F223 VanDerWaalsContact N-O 3.11Å; A221-F223 VanDerWaalsContact C-N 3.31Å; F223-I243 HydrophobicContact CB-CG2 3.73Å; F223-I243 HydrophobicContact CD1-CG2 3.49Å; F223-I243 VanDerWaalsContact CD1-CG2 3.49Å; F223-I243 HydrophobicContact CE1-CG2 4.28Å; F223-I243 HydrophobicContact CG-CG2 3.69Å; F223-L244 HydrophobicContact CD2-CD2 3.78Å; F223-L244 HydrophobicContact CE2-CD2 4.02Å |
| 224 | Q | 98.4 | Very high | 96.4 | Very high | 65 Ų | 65 | 67.2 Ų | 67.2 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.4 | 170.3 | -60.3 | 111.4 | 54.5 | 0 | 0 | 109.9 | I205 L213 K217 | I205-Q224 HydrophobicContact CG2-CG 4.2Å; I205-Q224 WeakPolarHBondContact O-CA 3.47Å; L213-Q224 HydrophobicContact CB-CB 4.12Å; L213-Q224 HydrophobicContact CB-CG 4.06Å; L213-Q224 HydrophobicContact CD1-CB 4.43Å; L213-Q224 HydrophobicContact CD2-CB 4.15Å; L213-Q224 HydrophobicContact CD2-CG 4.35Å; L213-Q224 HydrophobicContact CG-CB 4.47Å; K217-Q224 VanDerWaalsContact CG-NE2 3.28Å |
| 225 | L | 98.2 | Very high | 96.4 | Very high | 20 Ų | 20 | 68.7 Ų | 68.7 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 110.5 | 172.4 | 170.2 | 63.5 | 0 | 0 | 0 | 109.9 | I204 I205 T206 D207 V227 L236 K239 V240 I243 | I204-L225 HydrophobicContact CD1-CB 4.23Å; I205-L225 PolarHBondContact O-N 3.23Å; T206-L225 VanDerWaalsContact CA-O 3.27Å; T206-L225 WeakPolarHBondContact CA-O 3.42Å; T206-L225 HydrophobicContact CG2-CB 4.04Å; T206-L225 HydrophobicContact CG2-CD2 4.08Å; T206-L225 HydrophobicContact CG2-CG 4.26Å; D207-L225 PolarHBondContact N-O 2.82Å; L225-V227 HydrophobicContact CG-CG1 4.46Å; L225-V227 PolarHBondContact O-N 3.42Å; L225-L236 HydrophobicContact CD2-CD2 4.49Å; L225-K239 HydrophobicContact CD2-CB 4.13Å; L225-V240 HydrophobicContact CD2-CG2 3.8Å; L225-I243 HydrophobicContact CB-CD1 4.23Å; L225-I243 HydrophobicContact CD1-CD1 4.07Å; L225-I243 HydrophobicContact CD2-CD1 4.4Å; L225-I243 HydrophobicContact CG-CD1 4.47Å |
| 226 | T | 97.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 123.8 | 169.3 | -50.5 | 0 | 0 | 0 | 0 | 109.2 | D207 L213 | D207-T226 WeakPolarHBondContact O-CA 3.44Å; L213-T226 WeakPolarHBondContact CD1-OG1 3.33Å |
| 227 | V | 95.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 68.1 Ų | 68.1 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | trans | -99.5 | 154.3 | 175.2 | -54.5 | 0 | 0 | 0 | 0 | 110 | T206 D207 L208 L225 L236 | T206-V227 HydrophobicContact CG2-CG1 4.17Å; D207-V227 PolarHBondContact O-N 2.9Å; L208-V227 HydrophobicContact CD2-CG2 3.8Å; L208-V227 WeakPolarHBondContact CD2-O 3.42Å; L208-V227 HydrophobicContact CG-CG2 4.11Å; L225-V227 HydrophobicContact CG-CG1 4.46Å; L225-V227 PolarHBondContact O-N 3.42Å; V227-L236 HydrophobicContact CB-CD1 4.36Å; V227-L236 HydrophobicContact CB-CD2 4.26Å; V227-L236 HydrophobicContact CG1-CD1 4.15Å; V227-L236 HydrophobicContact CG1-CD2 3.85Å | ||
| 228 | K | 93.7 | Very high | 96.5 | Very high | 129 Ų | 129 | 67.9 Ų | 67.9 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | trans | -113.1 | 156 | 171.2 | -56.5 | -176.7 | -179.7 | -176.9 | 0 | 109.8 | E230 D231 | K228-E230 HydrophobicContact CB-CG 4.26Å; K228-E230 PolarHBondContact O-N 2.75Å; K228-D231 WeakPolarHBondContact CB-OD2 3.44Å; K228-D231 PolarHBondContact N-OD2 3.45Å; K228-D231 WeakPolarHBondContact O-CB 3.28Å; K228-D231 PolarHBondContact O-N 2.87Å; K228-D231 VanDerWaalsContact O-N 3.12Å | ||
| 229 | K | 87.6 | Confident | 96.5 | Very high | 184 Ų | 184 | 63.5 Ų | 63.5 | 80% | 0.8 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -30.2 | -177.8 | -71.3 | -175 | 176.9 | -179.9 | 0 | 112.3 | L208 | L208-K229 HydrophobicContact CD2-CG 4.1Š|
| 230 | E | 90.6 | Very high | 96.6 | Very high | 146 Ų | 146 | 62.1 Ų | 62.1 | 68% | 0.682 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5 | 179.7 | 63.8 | -88.5 | -156.6 | 0 | 0 | 114.1 | K228 G232 | K228-E230 HydrophobicContact CB-CG 4.26Å; K228-E230 PolarHBondContact O-N 2.75Å; E230-G232 PolarHBondContact O-N 3.03Å |
| 231 | D | 91.1 | Very high | 96.6 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | trans | -68.2 | 122.5 | 178.1 | -84.6 | -51 | 0 | 0 | 0 | 110.5 | K228 L236 K239 | K228-D231 WeakPolarHBondContact CB-OD2 3.44Å; K228-D231 PolarHBondContact N-OD2 3.45Å; K228-D231 WeakPolarHBondContact O-CB 3.28Å; K228-D231 PolarHBondContact O-N 2.87Å; K228-D231 VanDerWaalsContact O-N 3.12Å; D231-L236 HydrophobicContact CB-CD1 3.81Å; D231-L236 HydrophobicContact CB-CD2 3.68Å; D231-L236 HydrophobicContact CB-CG 3.67Å; D231-K239 IonicContact OD1-NZ 3.28Å; D231-K239 PolarHBondContact OD1-NZ 3.15Å; D231-K239 IonicContact OD2-NZ 2.88Å | ||
| 232 | G | 96.6 | Very high | 96.6 | Very high | 39 Ų | 39 | 70.9 Ų | 70.9 | 40% | 0.402 | 35% | 0.349 | S | S | . | . | trans | -69.9 | 142.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | E230 Q234 V235 L236 | E230-G232 PolarHBondContact O-N 3.03Å; G232-Q234 VanDerWaalsContact C-N 3.34Å; G232-Q234 PolarHBondContact O-N 2.88Å; G232-V235 WeakPolarHBondContact O-CB 3.37Å; G232-V235 PolarHBondContact O-N 3.01Å; G232-L236 PolarHBondContact O-N 3.43Å | ||
| 233 | A | 97.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 70.7 Ų | 70.7 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.7 | -40.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L236 A237 Q262 T263 Y266 | A233-L236 PolarHBondContact O-N 3.38Å; A233-A237 WeakPolarHBondContact O-CB 3.33Å; A233-A237 PolarHBondContact O-N 3.39Å; A233-Q262 HydrophobicContact CB-CB 3.63Å; A233-T263 VanDerWaalsContact CA-OG1 3.31Å; A233-T263 WeakPolarHBondContact CA-OG1 3.34Å; A233-Y266 HydrophobicContact CB-CD2 3.95Å; A233-Y266 HydrophobicContact CB-CE2 4.15Å |
| 234 | Q | 98.1 | Very high | 96.5 | Very high | 128 Ų | 128 | 67.7 Ų | 67.7 | 60% | 0.598 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.4 | -34.6 | 176.9 | -68.5 | -177.3 | -35.8 | 0 | 0 | 112.6 | G232 A237 K238 Y266 | G232-Q234 VanDerWaalsContact C-N 3.34Å; G232-Q234 PolarHBondContact O-N 2.88Å; Q234-A237 PolarHBondContact O-N 3.36Å; Q234-K238 PolarHBondContact O-N 3.3Å; Q234-Y266 HydrophobicContact CG-CD1 4.15Å; Q234-Y266 HydrophobicContact CG-CD2 3.65Å; Q234-Y266 HydrophobicContact CG-CE1 4.06Å; Q234-Y266 HydrophobicContact CG-CE2 3.55Å; Q234-Y266 HydrophobicContact CG-CG 3.96Å |
| 235 | V | 97.9 | Very high | 96.5 | Very high | 76 Ų | 76 | 67.8 Ų | 67.8 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 177 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | G232 K238 K239 | G232-V235 WeakPolarHBondContact O-CB 3.37Å; G232-V235 PolarHBondContact O-N 3.01Å; V235-K238 PolarHBondContact O-N 3.4Å; V235-K239 HydrophobicContact CG1-CD 4.41Å; V235-K239 WeakPolarHBondContact O-CG 3.07Å; V235-K239 PolarHBondContact O-N 2.93Å |
| 236 | L | 98 | Very high | 96.5 | Very high | 10 Ų | 10 | 69.6 Ų | 69.6 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.3 | -71 | 176.8 | 0 | 0 | 0 | 112 | L225 V227 D231 G232 A233 K238 K239 V240 T263 | L225-L236 HydrophobicContact CD2-CD2 4.49Å; V227-L236 HydrophobicContact CB-CD1 4.36Å; V227-L236 HydrophobicContact CB-CD2 4.26Å; V227-L236 HydrophobicContact CG1-CD1 4.15Å; V227-L236 HydrophobicContact CG1-CD2 3.85Å; D231-L236 HydrophobicContact CB-CD1 3.81Å; D231-L236 HydrophobicContact CB-CD2 3.68Å; D231-L236 HydrophobicContact CB-CG 3.67Å; G232-L236 PolarHBondContact O-N 3.43Å; A233-L236 PolarHBondContact O-N 3.38Å; L236-K238 VanDerWaalsContact C-N 3.26Å; L236-K238 PolarHBondContact O-N 3.45Å; L236-K239 HydrophobicContact CD2-CD 4.33Å; L236-K239 PolarHBondContact O-N 3.5Å; L236-V240 WeakPolarHBondContact O-CG2 3.4Å; L236-V240 PolarHBondContact O-N 2.89Å; L236-T263 HydrophobicContact CB-CG2 3.54Å; L236-T263 HydrophobicContact CD1-CG2 4.37Å |
| 237 | A | 98.4 | Very high | 96.6 | Very high | 8 Ų | 8 | 68.6 Ų | 68.6 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A233 Q234 K241 A267 | A233-A237 WeakPolarHBondContact O-CB 3.33Å; A233-A237 PolarHBondContact O-N 3.39Å; Q234-A237 PolarHBondContact O-N 3.36Å; A237-K241 PolarHBondContact O-N 3.33Å; A237-K241 VanDerWaalsContact O-N 3.09Å; A237-A267 HydrophobicContact CB-CB 3.89Å |
| 238 | K | 98.4 | Very high | 96.7 | Very high | 131 Ų | 131 | 67.8 Ų | 67.8 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.3 | -47.3 | 174.8 | -166 | -169.7 | -178.1 | -151.2 | 0 | 111.9 | Q234 V235 L236 V240 K241 E242 | Q234-K238 PolarHBondContact O-N 3.3Å; V235-K238 PolarHBondContact O-N 3.4Å; L236-K238 VanDerWaalsContact C-N 3.26Å; L236-K238 PolarHBondContact O-N 3.45Å; K238-V240 VanDerWaalsContact C-N 3.31Å; K238-V240 PolarHBondContact O-N 3.44Å; K238-K241 WeakPolarHBondContact O-CB 3.39Å; K238-K241 PolarHBondContact O-N 2.95Å; K238-K241 VanDerWaalsContact O-N 3.15Å; K238-E242 WeakPolarHBondContact CE-OE1 3.42Å; K238-E242 IonicContact NZ-OE1 2.82Å; K238-E242 PolarHBondContact NZ-OE1 3.32Å; K238-E242 WeakPolarHBondContact O-CG 3.43Å; K238-E242 PolarHBondContact O-N 3.02Å |
| 239 | K | 98.4 | Very high | 97 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.3 | -43.8 | 176 | -72.1 | 172.1 | 178.4 | 173.3 | 0 | 111.5 | L225 D231 V235 L236 K241 E242 I243 | L225-K239 HydrophobicContact CD2-CB 4.13Å; D231-K239 IonicContact OD1-NZ 3.28Å; D231-K239 PolarHBondContact OD1-NZ 3.15Å; D231-K239 IonicContact OD2-NZ 2.88Å; V235-K239 HydrophobicContact CG1-CD 4.41Å; V235-K239 WeakPolarHBondContact O-CG 3.07Å; V235-K239 PolarHBondContact O-N 2.93Å; L236-K239 HydrophobicContact CD2-CD 4.33Å; L236-K239 PolarHBondContact O-N 3.5Å; K239-K241 PolarHBondContact O-N 3.35Å; K239-E242 PolarHBondContact O-N 2.77Å; K239-I243 VanDerWaalsContact O-CG1 3.31Å; K239-I243 WeakPolarHBondContact O-CG1 3.31Å; K239-I243 PolarHBondContact O-N 2.86Å |
| 240 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.4 | -49 | 175.2 | 166.2 | 0 | 0 | 0 | 0 | 110.9 | L180 I204 L225 L236 K238 E242 I243 L244 P248 A267 | L180-V240 HydrophobicContact CD1-CG1 4.4Å; L180-V240 HydrophobicContact CD1-CG2 4.08Å; L180-V240 HydrophobicContact CD2-CG1 4.29Å; L180-V240 HydrophobicContact CD2-CG2 4.36Å; I204-V240 HydrophobicContact CD1-CG1 4.46Å; I204-V240 HydrophobicContact CD1-CG2 4.29Å; I204-V240 HydrophobicContact CG2-CG1 4.13Å; L225-V240 HydrophobicContact CD2-CG2 3.8Å; L236-V240 WeakPolarHBondContact O-CG2 3.4Å; L236-V240 PolarHBondContact O-N 2.89Å; K238-V240 VanDerWaalsContact C-N 3.31Å; K238-V240 PolarHBondContact O-N 3.44Å; V240-E242 PolarHBondContact O-N 2.88Å; V240-I243 PolarHBondContact O-N 2.86Å; V240-L244 HydrophobicContact CG1-CD1 3.79Å; V240-L244 WeakPolarHBondContact O-CB 3.28Å; V240-L244 WeakPolarHBondContact O-CG 3.39Å; V240-L244 PolarHBondContact O-N 3.48Å; V240-P248 HydrophobicContact CG1-CG 4.38Å; V240-A267 HydrophobicContact CG1-CB 4.41Å |
| 241 | K | 98.5 | Very high | 97.9 | Very high | 106 Ų | 106 | 50.2 Ų | 50.2 | 46% | 0.461 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 178.1 | -178.7 | -178.7 | 179.3 | 175 | 0 | 112.3 | A237 K238 K239 G245 T246 Q247 | A237-K241 PolarHBondContact O-N 3.33Å; A237-K241 VanDerWaalsContact O-N 3.09Å; K238-K241 WeakPolarHBondContact O-CB 3.39Å; K238-K241 PolarHBondContact O-N 2.95Å; K238-K241 VanDerWaalsContact O-N 3.15Å; K239-K241 PolarHBondContact O-N 3.35Å; K241-G245 CarbonylContact O-C 3.52Å; K241-G245 WeakPolarHBondContact O-CA 3.27Å; K241-G245 PolarHBondContact O-N 2.53Å; K241-T246 WeakPolarHBondContact CA-O 3.31Å; K241-T246 PolarHBondContact O-N 3.47Å; K241-Q247 HydrophobicContact CB-CG 4.44Å; K241-Q247 HydrophobicContact CD-CG 3.87Å; K241-Q247 HydrophobicContact CG-CG 4.1Å |
| 242 | E | 98.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 48.9 Ų | 48.9 | 55% | 0.547 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 178.6 | -73.5 | 169 | -179.9 | 0 | 0 | 111.4 | K238 K239 V240 G245 | K238-E242 WeakPolarHBondContact CE-OE1 3.42Å; K238-E242 IonicContact NZ-OE1 2.82Å; K238-E242 PolarHBondContact NZ-OE1 3.32Å; K238-E242 WeakPolarHBondContact O-CG 3.43Å; K238-E242 PolarHBondContact O-N 3.02Å; K239-E242 PolarHBondContact O-N 2.77Å; V240-E242 PolarHBondContact O-N 2.88Å; E242-G245 PolarHBondContact O-N 2.84Å |
| 243 | I | 98.4 | Very high | 98.4 | Very high | 65 Ų | 65 | 47 Ų | 47 | 33% | 0.333 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.1 | -45 | 178.7 | -67.5 | 166.1 | 0 | 0 | 0 | 111.6 | I204 F223 L225 K239 V240 G245 | I204-I243 HydrophobicContact CD1-CB 4.08Å; I204-I243 HydrophobicContact CD1-CD1 4.14Å; I204-I243 HydrophobicContact CD1-CG2 3.85Å; F223-I243 HydrophobicContact CB-CG2 3.73Å; F223-I243 HydrophobicContact CD1-CG2 3.49Å; F223-I243 VanDerWaalsContact CD1-CG2 3.49Å; F223-I243 HydrophobicContact CE1-CG2 4.28Å; F223-I243 HydrophobicContact CG-CG2 3.69Å; L225-I243 HydrophobicContact CB-CD1 4.23Å; L225-I243 HydrophobicContact CD1-CD1 4.07Å; L225-I243 HydrophobicContact CD2-CD1 4.4Å; L225-I243 HydrophobicContact CG-CD1 4.47Å; K239-I243 VanDerWaalsContact O-CG1 3.31Å; K239-I243 WeakPolarHBondContact O-CG1 3.31Å; K239-I243 PolarHBondContact O-N 2.86Å; V240-I243 PolarHBondContact O-N 2.86Å; I243-G245 VanDerWaalsContact C-N 3.3Å; I243-G245 PolarHBondContact O-N 2.71Å |
| 244 | L | 97.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.4 | -23.2 | -179.6 | -75.4 | 175.1 | 0 | 0 | 0 | 113.1 | T178 K202 I204 F223 V240 T246 P248 | T178-L244 HydrophobicContact CG2-CD1 3.73Å; T178-L244 HydrophobicContact CG2-CD2 3.92Å; T178-L244 HydrophobicContact CG2-CG 4.34Å; K202-L244 HydrophobicContact CB-CD2 4.05Å; K202-L244 HydrophobicContact CD-CD2 4.31Å; K202-L244 PolarHBondContact NZ-O 3.43Å; I204-L244 HydrophobicContact CB-CD2 4.02Å; I204-L244 HydrophobicContact CB-CG 4.29Å; I204-L244 HydrophobicContact CG2-CD1 3.64Å; I204-L244 HydrophobicContact CG2-CD2 3.92Å; I204-L244 HydrophobicContact CG2-CG 3.88Å; F223-L244 HydrophobicContact CD2-CD2 3.78Å; F223-L244 HydrophobicContact CE2-CD2 4.02Å; V240-L244 HydrophobicContact CG1-CD1 3.79Å; V240-L244 WeakPolarHBondContact O-CB 3.28Å; V240-L244 WeakPolarHBondContact O-CG 3.39Å; V240-L244 PolarHBondContact O-N 3.48Å; L244-T246 HydrophobicContact CB-CG2 4.45Å; L244-T246 VanDerWaalsContact CB-O 3.26Å; L244-T246 WeakPolarHBondContact CB-O 3.09Å; L244-T246 PolarHBondContact O-N 2.81Å; L244-P248 HydrophobicContact CD1-CB 4.16Å; L244-P248 HydrophobicContact CD1-CG 4.36Å |
| 245 | G | 97.9 | Very high | 98.4 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 68% | 0.68 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 72.4 | 1.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K241 E242 I243 | K241-G245 CarbonylContact O-C 3.52Å; K241-G245 WeakPolarHBondContact O-CA 3.27Å; K241-G245 PolarHBondContact O-N 2.53Å; E242-G245 PolarHBondContact O-N 2.84Å; I243-G245 VanDerWaalsContact C-N 3.3Å; I243-G245 PolarHBondContact O-N 2.71Å |
| 246 | T | 97.8 | Very high | 98.2 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 36% | 0.362 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -157.1 | 165.5 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | T178 K241 L244 | T178-T246 HydrophobicContact CG2-CG2 4.15Å; K241-T246 WeakPolarHBondContact CA-O 3.31Å; K241-T246 PolarHBondContact O-N 3.47Å; L244-T246 HydrophobicContact CB-CG2 4.45Å; L244-T246 VanDerWaalsContact CB-O 3.26Å; L244-T246 WeakPolarHBondContact CB-O 3.09Å; L244-T246 PolarHBondContact O-N 2.81Å |
| 247 | Q | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 25% | 0.248 | 24% | 0.235 | C | C | . | . | trans | -76.2 | 141.1 | 167.6 | -70.7 | -177.1 | -78.6 | 0 | 0 | 110.1 | K241 A267 C269 | K241-Q247 HydrophobicContact CB-CG 4.44Å; K241-Q247 HydrophobicContact CD-CG 3.87Å; K241-Q247 HydrophobicContact CG-CG 4.1Å; Q247-A267 WeakPolarHBondContact CB-O 3.45Å; Q247-A267 WeakPolarHBondContact CG-O 3.27Å; Q247-A267 PolarHBondContact NE2-O 2.82Å; Q247-C269 HydrophobicContact CB-CB 3.64Å | ||
| 248 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -65 | 141.5 | 173 | 29 | -35.6 | 0 | 0 | 0 | 110.6 | T178 L180 V240 L244 I250 A267 T268 C269 | T178-P248 HydrophobicContact CG2-CB 4.25Å; T178-P248 WeakPolarHBondContact O-CA 3.36Å; L180-P248 HydrophobicContact CB-CB 4.01Å; L180-P248 HydrophobicContact CB-CG 3.79Å; V240-P248 HydrophobicContact CG1-CG 4.38Å; L244-P248 HydrophobicContact CD1-CB 4.16Å; L244-P248 HydrophobicContact CD1-CG 4.36Å; P248-I250 VanDerWaalsContact C-N 3.29Å; P248-A267 WeakPolarHBondContact CD-O 3.32Å; P248-A267 HydrophobicContact CG-CB 4.43Å; P248-T268 WeakPolarHBondContact O-CA 3.32Å; P248-C269 PolarHBondContact O-N 2.76Å | ||
| 249 | Q | 98.8 | Very high | 98 | Very high | 82 Ų | 82 | 42.8 Ų | 42.8 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -75 | -27.5 | 171.1 | -62.3 | 106.8 | -12.7 | 0 | 0 | 111.7 | T178 G272 V273 | T178-Q249 VanDerWaalsContact CB-OE1 3.24Å; T178-Q249 PolarHBondContact O-N 2.8Å; T178-Q249 PolarHBondContact O-OE1 2.98Å; Q249-G272 CarbonylContact O-C 3.52Å; Q249-G272 WeakPolarHBondContact O-CA 3.47Å; Q249-V273 PolarHBondContact O-N 3Å |
| 250 | I | 98.9 | Very high | 98 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.1 | -174.8 | -65.6 | 168.1 | 0 | 0 | 0 | 108.2 | A171 V173 T178 V179 L180 P248 I252 V273 | A171-I250 HydrophobicContact CB-CD1 4.2Å; A171-I250 HydrophobicContact CB-CG1 4.37Å; A171-I250 HydrophobicContact CB-CG2 3.54Å; V173-I250 HydrophobicContact CB-CD1 4.18Å; V173-I250 HydrophobicContact CG2-CD1 3.64Å; V173-I250 HydrophobicContact CG2-CG2 4.21Å; T178-I250 PolarHBondContact O-N 2.6Å; V179-I250 CarbonylContact C-O 3.44Å; V179-I250 VanDerWaalsContact CA-O 3.29Å; V179-I250 WeakPolarHBondContact CA-O 3.49Å; V179-I250 HydrophobicContact CG1-CG2 4.17Å; V179-I250 HydrophobicContact CG2-CB 4.33Å; L180-I250 PolarHBondContact N-O 3.19Å; P248-I250 VanDerWaalsContact C-N 3.29Å; I250-I252 HydrophobicContact CG2-CG1 4.02Å; I250-V273 CarbonylContact C-O 3.53Å; I250-V273 WeakPolarHBondContact CA-O 3.27Å |
| 251 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.2 | 163.7 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | L180 A264 T268 V273 V274 L275 | L180-T251 HydrophobicContact CB-CG2 4.08Å; L180-T251 HydrophobicContact CD2-CG2 3.71Å; L180-T251 HydrophobicContact CG-CG2 3.77Å; L180-T251 CarbonylContact O-C 3.57Å; L180-T251 VanDerWaalsContact O-CA 3.24Å; L180-T251 WeakPolarHBondContact O-CA 3.31Å; T251-A264 HydrophobicContact CG2-CB 3.37Å; T251-T268 WeakPolarHBondContact CB-OG1 3.18Å; T251-T268 PolarHBondContact OG1-OG1 3.35Å; T251-V273 PolarHBondContact N-O 3.17Å; T251-V274 CarbonylContact O-C 3.6Å; T251-V274 WeakPolarHBondContact O-CA 3.33Å; T251-L275 PolarHBondContact O-N 2.9Å |
| 252 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 110 | 172.5 | -50.1 | 179.3 | 0 | 0 | 0 | 107.6 | A167 V179 L180 I181 C182 I250 L275 V277 | A167-I252 HydrophobicContact CB-CG2 4.24Å; V179-I252 HydrophobicContact CG1-CD1 4.23Å; V179-I252 HydrophobicContact CG1-CG1 4.25Å; L180-I252 PolarHBondContact O-N 2.89Å; I181-I252 WeakPolarHBondContact CA-O 3.26Å; I181-I252 HydrophobicContact CG1-CB 4.43Å; C182-I252 PolarHBondContact N-O 2.72Å; I250-I252 HydrophobicContact CG2-CG1 4.02Å; I252-L275 HydrophobicContact CG2-CB 4.44Å; I252-V277 HydrophobicContact CG2-CG2 3.62Å |
| 253 | E | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 112.6 | -178.7 | -155.7 | -59.9 | 115.3 | 0 | 0 | 109.5 | C182 T255 G256 I261 L275 L276 V277 G278 | C182-E253 HydrophobicContact CB-CG 4.25Å; E253-T255 WeakPolarHBondContact OE1-CA 3.26Å; E253-T255 VanDerWaalsContact OE1-CB 3.25Å; E253-T255 WeakPolarHBondContact OE1-CB 3.49Å; E253-T255 PolarHBondContact OE1-N 2.87Å; E253-T255 PolarHBondContact OE1-OG1 3.45Å; E253-T255 PolarHBondContact OE2-N 3.45Å; E253-G256 PolarHBondContact OE1-N 3.04Å; E253-G256 WeakPolarHBondContact OE2-CA 3.36Å; E253-G256 PolarHBondContact OE2-N 2.92Å; E253-I261 HydrophobicContact CG-CG1 3.86Å; E253-L275 VanDerWaalsContact CB-O 3.31Å; E253-L275 WeakPolarHBondContact CB-O 3.48Å; E253-L275 PolarHBondContact N-O 2.87Å; E253-L276 HydrophobicContact CB-CD2 4.18Å; E253-V277 WeakPolarHBondContact O-CA 3.37Å; E253-V277 WeakPolarHBondContact O-CB 3.46Å; E253-V277 PolarHBondContact O-N 2.85Å; E253-G278 PolarHBondContact O-N 3.25Å |
| 254 | C | 98.5 | Very high | 98 | Very high | 22 Ų | 22 | 30 Ų | 30 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | trans | -116.9 | 10.4 | -174.1 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | C182 I187 | C182-C254 CarbonylContact O-C 3.32Å; C182-C254 WeakPolarHBondContact O-CA 3.46Å; C182-C254 VanDerWaalsContact O-CB 3.25Å; C182-C254 WeakPolarHBondContact O-CB 3.43Å; C182-C254 PolarHBondContact O-N 3.37Å; I187-C254 HydrophobicContact CB-CB 4.43Å; I187-C254 HydrophobicContact CG2-CB 4.14Å | ||
| 255 | T | 96.8 | Very high | 98.1 | Very high | 48 Ų | 48 | 30 Ų | 30 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -102.5 | -32.3 | -178.8 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | C182 E253 V257 C260 | C182-T255 HydrophobicContact CB-CG2 4.36Å; C182-T255 WeakPolarHBondContact O-CG2 3.38Å; E253-T255 WeakPolarHBondContact OE1-CA 3.26Å; E253-T255 VanDerWaalsContact OE1-CB 3.25Å; E253-T255 WeakPolarHBondContact OE1-CB 3.49Å; E253-T255 PolarHBondContact OE1-N 2.87Å; E253-T255 PolarHBondContact OE1-OG1 3.45Å; E253-T255 PolarHBondContact OE2-N 3.45Å; T255-V257 PolarHBondContact O-N 3.27Å; T255-V257 WeakPolarHBondContact OG1-CB 3.26Å; T255-V257 PolarHBondContact OG1-N 2.84Å; T255-C260 HydrophobicContact CG2-CB 4.42Å; T255-C260 VanDerWaalsContact OG1-CB 3.26Å; T255-C260 WeakPolarHBondContact OG1-CB 3.39Å |
| 256 | G | 95.1 | Very high | 98.1 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | trans | 71.3 | 5.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E253 G280 | E253-G256 PolarHBondContact OE1-N 3.04Å; E253-G256 WeakPolarHBondContact OE2-CA 3.36Å; E253-G256 PolarHBondContact OE2-N 2.92Å; G256-G280 WeakPolarHBondContact O-CA 3.41Å | ||
| 257 | V | 95.9 | Very high | 98.2 | Very high | 73 Ų | 73 | 26.9 Ų | 26.9 | 44% | 0.442 | 15% | 0.145 | S | C | . | . | trans | -84.4 | 129.2 | -178.3 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | T255 S259 C260 I261 | T255-V257 PolarHBondContact O-N 3.27Å; T255-V257 WeakPolarHBondContact OG1-CB 3.26Å; T255-V257 PolarHBondContact OG1-N 2.84Å; V257-S259 VanDerWaalsContact C-N 3.33Å; V257-S259 WeakPolarHBondContact CG1-OG 3.25Å; V257-S259 PolarHBondContact O-N 3.43Å; V257-C260 HydrophobicContact CB-CB 4.25Å; V257-C260 WeakPolarHBondContact O-CA 3.35Å; V257-C260 WeakPolarHBondContact O-CB 3.31Å; V257-C260 PolarHBondContact O-N 2.78Å; V257-I261 PolarHBondContact O-N 2.68Å | ||
| 258 | E | 97.4 | Very high | 98.2 | Very high | 75 Ų | 75 | 24.4 Ų | 24.4 | 35% | 0.35 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -49.6 | -48.6 | -177.7 | 176 | 168.5 | 119.1 | 0 | 0 | 113.2 | C260 I261 Q262 T284 T285 | E258-C260 VanDerWaalsContact C-N 3.28Å; E258-C260 PolarHBondContact O-N 2.9Å; E258-I261 WeakPolarHBondContact O-CB 3.12Å; E258-I261 PolarHBondContact O-N 3.37Å; E258-I261 VanDerWaalsContact O-N 3.13Å; E258-Q262 HydrophobicContact CG-CG 4.46Å; E258-Q262 VanDerWaalsContact O-CG 3.32Å; E258-Q262 WeakPolarHBondContact O-CG 3.23Å; E258-Q262 PolarHBondContact O-N 3.45Å; E258-Q262 PolarHBondContact OE1-NE2 3.2Å; E258-T284 HydrophobicContact CB-CG2 3.78Å; E258-T284 HydrophobicContact CG-CG2 3.55Å; E258-T284 WeakPolarHBondContact OE2-CA 3.2Å; E258-T285 WeakPolarHBondContact CG-O 3.16Å; E258-T285 PolarHBondContact OE2-N 2.74Å |
| 259 | S | 96.9 | Very high | 98.2 | Very high | 49 Ų | 49 | 25.6 Ų | 25.6 | 34% | 0.343 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -65 | -30.5 | -179.9 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | V257 T263 | V257-S259 VanDerWaalsContact C-N 3.33Å; V257-S259 WeakPolarHBondContact CG1-OG 3.25Å; V257-S259 PolarHBondContact O-N 3.43Å; S259-T263 WeakPolarHBondContact O-CB 3.46Å; S259-T263 PolarHBondContact O-N 2.95Å; S259-T263 PolarHBondContact O-OG1 3.4Å |
| 260 | C | 97.9 | Very high | 98.2 | Very high | 21 Ų | 21 | 25.1 Ų | 25.1 | 14% | 0.142 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.7 | -38.2 | 173.4 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | C182 T255 V257 E258 T263 A264 | C182-C260 HydrophobicContact CB-CB 4.32Å; T255-C260 HydrophobicContact CG2-CB 4.42Å; T255-C260 VanDerWaalsContact OG1-CB 3.26Å; T255-C260 WeakPolarHBondContact OG1-CB 3.39Å; V257-C260 HydrophobicContact CB-CB 4.25Å; V257-C260 WeakPolarHBondContact O-CA 3.35Å; V257-C260 WeakPolarHBondContact O-CB 3.31Å; V257-C260 PolarHBondContact O-N 2.78Å; E258-C260 VanDerWaalsContact C-N 3.28Å; E258-C260 PolarHBondContact O-N 2.9Å; C260-T263 WeakPolarHBondContact O-CB 3.29Å; C260-T263 PolarHBondContact O-N 3.34Å; C260-A264 WeakPolarHBondContact O-CB 3.42Å; C260-A264 PolarHBondContact O-N 2.83Å |
| 261 | I | 98.6 | Very high | 98.2 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 172.9 | -60.9 | 166.3 | 0 | 0 | 0 | 110.1 | E253 V257 E258 T263 A264 L265 L276 T284 V286 | E253-I261 HydrophobicContact CG-CG1 3.86Å; V257-I261 PolarHBondContact O-N 2.68Å; E258-I261 WeakPolarHBondContact O-CB 3.12Å; E258-I261 PolarHBondContact O-N 3.37Å; E258-I261 VanDerWaalsContact O-N 3.13Å; I261-T263 VanDerWaalsContact C-N 3.33Å; I261-T263 PolarHBondContact O-N 3.01Å; I261-A264 WeakPolarHBondContact O-CB 3.29Å; I261-A264 PolarHBondContact O-N 2.91Å; I261-L265 HydrophobicContact CG2-CD1 4.38Å; I261-L265 WeakPolarHBondContact O-CG 3.26Å; I261-L265 PolarHBondContact O-N 3.12Å; I261-L276 HydrophobicContact CG1-CD2 4.25Å; I261-L276 HydrophobicContact CG2-CD2 4.07Å; I261-T284 HydrophobicContact CD1-CG2 4.02Å; I261-V286 HydrophobicContact CB-CG1 4.44Å; I261-V286 HydrophobicContact CG2-CG1 3.67Å |
| 262 | Q | 98.7 | Very high | 98.2 | Very high | 44 Ų | 44 | 27.6 Ų | 27.6 | 21% | 0.206 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 174.9 | -65.5 | 173.1 | 1.3 | 0 | 0 | 111.6 | A233 E258 A264 L265 Y266 T285 | A233-Q262 HydrophobicContact CB-CB 3.63Å; E258-Q262 HydrophobicContact CG-CG 4.46Å; E258-Q262 VanDerWaalsContact O-CG 3.32Å; E258-Q262 WeakPolarHBondContact O-CG 3.23Å; E258-Q262 PolarHBondContact O-N 3.45Å; E258-Q262 PolarHBondContact OE1-NE2 3.2Å; Q262-A264 VanDerWaalsContact C-N 3.34Å; Q262-A264 PolarHBondContact O-N 2.67Å; Q262-L265 PolarHBondContact O-N 3.15Å; Q262-Y266 WeakPolarHBondContact O-CD2 3.21Å; Q262-Y266 PolarHBondContact O-N 2.9Å; Q262-T285 PolarHBondContact NE2-O 3.1Å |
| 263 | T | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 111 | A233 L236 S259 C260 I261 L265 Y266 A267 | A233-T263 VanDerWaalsContact CA-OG1 3.31Å; A233-T263 WeakPolarHBondContact CA-OG1 3.34Å; L236-T263 HydrophobicContact CB-CG2 3.54Å; L236-T263 HydrophobicContact CD1-CG2 4.37Å; S259-T263 WeakPolarHBondContact O-CB 3.46Å; S259-T263 PolarHBondContact O-N 2.95Å; S259-T263 PolarHBondContact O-OG1 3.4Å; C260-T263 WeakPolarHBondContact O-CB 3.29Å; C260-T263 PolarHBondContact O-N 3.34Å; I261-T263 VanDerWaalsContact C-N 3.33Å; I261-T263 PolarHBondContact O-N 3.01Å; T263-L265 VanDerWaalsContact C-N 3.32Å; T263-L265 PolarHBondContact O-N 3.05Å; T263-Y266 PolarHBondContact O-N 3.4Å; T263-A267 WeakPolarHBondContact O-CB 3.42Å; T263-A267 PolarHBondContact O-N 3.2Å |
| 264 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.4 | -45.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | T251 C260 I261 Q262 A267 T268 V274 | T251-A264 HydrophobicContact CG2-CB 3.37Å; C260-A264 WeakPolarHBondContact O-CB 3.42Å; C260-A264 PolarHBondContact O-N 2.83Å; I261-A264 WeakPolarHBondContact O-CB 3.29Å; I261-A264 PolarHBondContact O-N 2.91Å; Q262-A264 VanDerWaalsContact C-N 3.34Å; Q262-A264 PolarHBondContact O-N 2.67Å; A264-A267 PolarHBondContact O-N 3.24Å; A264-T268 WeakPolarHBondContact O-CB 3.3Å; A264-T268 PolarHBondContact O-N 2.83Å; A264-T268 VanDerWaalsContact O-N 3.09Å; A264-T268 PolarHBondContact O-OG1 3.46Å; A264-V274 HydrophobicContact CB-CG1 3.78Å; A264-V274 HydrophobicContact CB-CG2 4.2Å |
| 265 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 178.7 | -65.1 | 170.9 | 0 | 0 | 0 | 111.5 | I261 Q262 T263 V274 V286 P287 A291 R294 I298 | I261-L265 HydrophobicContact CG2-CD1 4.38Å; I261-L265 WeakPolarHBondContact O-CG 3.26Å; I261-L265 PolarHBondContact O-N 3.12Å; Q262-L265 PolarHBondContact O-N 3.15Å; T263-L265 VanDerWaalsContact C-N 3.32Å; T263-L265 PolarHBondContact O-N 3.05Å; L265-V274 HydrophobicContact CD2-CB 4.22Å; L265-V274 HydrophobicContact CD2-CG2 3.9Å; L265-V286 HydrophobicContact CD1-CB 3.8Å; L265-V286 HydrophobicContact CD1-CG1 4.28Å; L265-V286 HydrophobicContact CD1-CG2 4.4Å; L265-P287 HydrophobicContact CB-CG 4.22Å; L265-P287 HydrophobicContact CD1-CG 4.11Å; L265-A291 HydrophobicContact CD2-CB 3.96Å; L265-R294 PolarHBondContact O-NH2 3.05Å; L265-I298 HydrophobicContact CD1-CD1 4.37Å; L265-I298 HydrophobicContact CD2-CD1 3.53Å; L265-I298 HydrophobicContact CD2-CG1 3.69Å |
| 266 | Y | 98.8 | Very high | 98.3 | Very high | 58 Ų | 58 | 27.3 Ų | 27.3 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.2 | -35.1 | 178 | -71 | -54.2 | 0 | 0 | 0 | 113.6 | A233 Q234 Q262 T263 P287 N290 | A233-Y266 HydrophobicContact CB-CD2 3.95Å; A233-Y266 HydrophobicContact CB-CE2 4.15Å; Q234-Y266 HydrophobicContact CG-CD1 4.15Å; Q234-Y266 HydrophobicContact CG-CD2 3.65Å; Q234-Y266 HydrophobicContact CG-CE1 4.06Å; Q234-Y266 HydrophobicContact CG-CE2 3.55Å; Q234-Y266 HydrophobicContact CG-CG 3.96Å; Q262-Y266 WeakPolarHBondContact O-CD2 3.21Å; Q262-Y266 PolarHBondContact O-N 2.9Å; T263-Y266 PolarHBondContact O-N 3.4Å; Y266-P287 HydrophobicContact CD1-CG 4.5Å; Y266-P287 HydrophobicContact CD2-CG 4.38Å; Y266-P287 HydrophobicContact CE1-CB 3.92Å; Y266-P287 HydrophobicContact CE1-CG 3.95Å; Y266-P287 HydrophobicContact CE2-CB 4.32Å; Y266-P287 HydrophobicContact CE2-CG 3.81Å; Y266-P287 WeakPolarHBondContact OH-CB 3.03Å; Y266-N290 HydrophobicContact CD1-CB 4.47Å; Y266-N290 HydrophobicContact CE1-CB 4.08Å |
| 267 | A | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.2 | -44 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L180 A237 V240 Q247 P248 T263 A264 | L180-A267 HydrophobicContact CD2-CB 3.79Å; A237-A267 HydrophobicContact CB-CB 3.89Å; V240-A267 HydrophobicContact CG1-CB 4.41Å; Q247-A267 WeakPolarHBondContact CB-O 3.45Å; Q247-A267 WeakPolarHBondContact CG-O 3.27Å; Q247-A267 PolarHBondContact NE2-O 2.82Å; P248-A267 WeakPolarHBondContact CD-O 3.32Å; P248-A267 HydrophobicContact CG-CB 4.43Å; T263-A267 WeakPolarHBondContact O-CB 3.42Å; T263-A267 PolarHBondContact O-N 3.2Å; A264-A267 PolarHBondContact O-N 3.24Å |
| 268 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -60 | 136 | -173.9 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | P248 T251 A264 V274 R294 V296 | P248-T268 WeakPolarHBondContact O-CA 3.32Å; T251-T268 WeakPolarHBondContact CB-OG1 3.18Å; T251-T268 PolarHBondContact OG1-OG1 3.35Å; A264-T268 WeakPolarHBondContact O-CB 3.3Å; A264-T268 PolarHBondContact O-N 2.83Å; A264-T268 VanDerWaalsContact O-N 3.09Å; A264-T268 PolarHBondContact O-OG1 3.46Å; T268-V274 HydrophobicContact CG2-CG2 4.37Å; T268-V274 WeakPolarHBondContact OG1-CG2 3.39Å; T268-R294 PolarHBondContact O-NH1 2.89Å; T268-R294 PolarHBondContact O-NH2 2.85Å; T268-V296 HydrophobicContact CG2-CG1 3.95Å |
| 269 | C | 98.8 | Very high | 97.9 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 17% | 0.169 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 161.2 | 179.6 | 77.4 | 0 | 0 | 0 | 0 | 111.8 | Q247 P248 G272 V296 | Q247-C269 HydrophobicContact CB-CB 3.64Å; P248-C269 PolarHBondContact O-N 2.76Å; C269-G272 PolarHBondContact O-N 3.05Å; C269-G272 VanDerWaalsContact O-N 3.08Å; C269-V296 WeakPolarHBondContact O-CG2 3.33Å |
| 270 | S | 98.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 28.3 Ų | 28.3 | 51% | 0.51 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 141.5 | 170.6 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | G272 R294 | S270-G272 PolarHBondContact O-N 3.15Å; S270-R294 CarbonylContact C-O 3.56Å; S270-R294 WeakPolarHBondContact CA-O 3.38Å; S270-R294 WeakPolarHBondContact CB-O 3.38Å |
| 271 | G | 98.8 | Very high | 97 | Very high | 55 Ų | 55 | 30.9 Ų | 30.9 | 57% | 0.567 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 3.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R294 E295 | G271-R294 PolarHBondContact N-O 3.43Å; G271-E295 VanDerWaalsContact CA-O 3.25Å; G271-E295 WeakPolarHBondContact CA-O 3.5Å; G271-E295 PolarHBondContact N-O 2.97Å |
| 272 | G | 98.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | trans | -83.6 | -174.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q249 C269 S270 V296 D297 | Q249-G272 CarbonylContact O-C 3.52Å; Q249-G272 WeakPolarHBondContact O-CA 3.47Å; C269-G272 PolarHBondContact O-N 3.05Å; C269-G272 VanDerWaalsContact O-N 3.08Å; S270-G272 PolarHBondContact O-N 3.15Å; G272-V296 WeakPolarHBondContact O-CA 3.48Å; G272-D297 PolarHBondContact O-N 3.34Å | ||
| 273 | V | 98.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 9% | 0.085 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 133.9 | -176.2 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | Q249 I250 T251 L275 D297 R299 | Q249-V273 PolarHBondContact O-N 3Å; I250-V273 CarbonylContact C-O 3.53Å; I250-V273 WeakPolarHBondContact CA-O 3.27Å; T251-V273 PolarHBondContact N-O 3.17Å; V273-L275 HydrophobicContact CB-CD2 4.24Å; V273-L275 HydrophobicContact CG1-CD2 3.28Å; V273-D297 WeakPolarHBondContact CA-O 3.14Å; V273-D297 HydrophobicContact CB-CB 4.4Å; V273-D297 HydrophobicContact CG1-CB 3.99Å; V273-D297 HydrophobicContact CG2-CB 4.18Å; V273-R299 HydrophobicContact CG1-CG 3.99Å |
| 274 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.1 | 165.4 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | T251 A264 L265 T268 L276 V296 D297 R299 | T251-V274 CarbonylContact O-C 3.6Å; T251-V274 WeakPolarHBondContact O-CA 3.33Å; A264-V274 HydrophobicContact CB-CG1 3.78Å; A264-V274 HydrophobicContact CB-CG2 4.2Å; L265-V274 HydrophobicContact CD2-CB 4.22Å; L265-V274 HydrophobicContact CD2-CG2 3.9Å; T268-V274 HydrophobicContact CG2-CG2 4.37Å; T268-V274 WeakPolarHBondContact OG1-CG2 3.39Å; V274-L276 HydrophobicContact CG1-CD2 4Å; V274-V296 HydrophobicContact CG2-CG1 3.93Å; V274-D297 PolarHBondContact N-O 2.86Å; V274-R299 PolarHBondContact O-N 2.8Å |
| 275 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124.9 | 173.9 | -87.6 | -73.3 | 0 | 0 | 0 | 109.8 | R170 A171 T251 I252 E253 V273 R299 V301 | R170-L275 HydrophobicContact CB-CD1 3.72Å; A171-L275 HydrophobicContact CB-CD2 3.52Å; A171-L275 HydrophobicContact CB-CG 3.85Å; T251-L275 PolarHBondContact O-N 2.9Å; I252-L275 HydrophobicContact CG2-CB 4.44Å; E253-L275 VanDerWaalsContact CB-O 3.31Å; E253-L275 WeakPolarHBondContact CB-O 3.48Å; E253-L275 PolarHBondContact N-O 2.87Å; V273-L275 HydrophobicContact CB-CD2 4.24Å; V273-L275 HydrophobicContact CG1-CD2 3.28Å; L275-R299 CarbonylContact C-O 3.5Å; L275-R299 VanDerWaalsContact CA-O 3.31Å; L275-R299 WeakPolarHBondContact CA-O 3.44Å; L275-R299 HydrophobicContact CD1-CB 3.89Å; L275-R299 HydrophobicContact CD2-CB 4.24Å; L275-V301 HydrophobicContact CD1-CG2 3.62Å |
| 276 | L | 98.6 | Very high | 96 | Very high | 50 Ų | 50 | 54 Ų | 54 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 105.9 | 173.8 | -53.2 | -178.3 | 0 | 0 | 0 | 108.9 | E253 I261 V274 I298 R299 G300 V301 | E253-L276 HydrophobicContact CB-CD2 4.18Å; I261-L276 HydrophobicContact CG1-CD2 4.25Å; I261-L276 HydrophobicContact CG2-CD2 4.07Å; V274-L276 HydrophobicContact CG1-CD2 4Å; L276-I298 HydrophobicContact CD1-CG2 3.79Å; L276-I298 HydrophobicContact CG-CG2 4.09Å; L276-R299 PolarHBondContact N-O 3.07Å; L276-G300 CarbonylContact O-C 3.49Å; L276-V301 PolarHBondContact O-N 3.32Å |
| 277 | V | 98.1 | Very high | 95.9 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | trans | -109.3 | -40.4 | 177.4 | -166.4 | 0 | 0 | 0 | 0 | 110.6 | V163 A167 I187 I252 E253 V301 | V163-V277 HydrophobicContact CG1-CG1 3.63Å; A167-V277 HydrophobicContact CB-CG2 3.92Å; I187-V277 HydrophobicContact CG2-CB 4.44Å; I187-V277 HydrophobicContact CG2-CG1 3.62Å; I252-V277 HydrophobicContact CG2-CG2 3.62Å; E253-V277 WeakPolarHBondContact O-CA 3.37Å; E253-V277 WeakPolarHBondContact O-CB 3.46Å; E253-V277 PolarHBondContact O-N 2.85Å; V277-V301 HydrophobicContact CG1-CB 4.43Å; V277-V301 HydrophobicContact CG1-CG1 4.27Å; V277-V301 HydrophobicContact CG2-CB 4.17Å; V277-V301 HydrophobicContact CG2-CG2 3.99Å | ||
| 278 | G | 94.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -64.6 | 139.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | E253 | E253-G278 PolarHBondContact O-N 3.25Š|
| 279 | L | 88.8 | Confident | 95.9 | Very high | 142 Ų | 142 | 62.6 Ų | 62.6 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | trans | -97.9 | 120.3 | 175 | -62.7 | -178 | 0 | 0 | 0 | 109.5 | I60 | I60-L279 HydrophobicContact CG2-CD1 4.27Š| ||
| 280 | G | 86.8 | Confident | 95.9 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | trans | -107.9 | -154.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G256 | G256-G280 WeakPolarHBondContact O-CA 3.41Š| ||
| 281 | A | 88.3 | Confident | 95.9 | Very high | 76 Ų | 76 | 60.5 Ų | 60.5 | 63% | 0.628 | 37% | 0.366 | S | S | * | . | trans | -65.1 | 156.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M283 | A281-M283 VanDerWaalsContact C-N 3.27Å; A281-M283 PolarHBondContact O-N 3.5Å | ||
| 282 | E | 86.6 | Confident | 95.9 | Very high | 192 Ų | 192 | 61.1 Ų | 61.1 | 90% | 0.897 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -57.1 | -40.8 | 177.4 | -178.5 | 178.9 | -170.8 | 0 | 0 | 112.4 | ||
| 283 | M | 93.5 | Very high | 95.9 | Very high | 159 Ų | 159 | 66.3 Ų | 66.3 | 78% | 0.783 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -111.8 | 140.1 | 176.4 | -64.9 | -63.3 | -71.8 | 0 | 0 | 109.9 | A281 | A281-M283 VanDerWaalsContact C-N 3.27Å; A281-M283 PolarHBondContact O-N 3.5Å |
| 284 | T | 95.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 67.6 Ų | 67.6 | 31% | 0.307 | 40% | 0.4 | S | S | . | . | trans | -140.1 | 132.2 | 179.2 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | E258 I261 V286 | E258-T284 HydrophobicContact CB-CG2 3.78Å; E258-T284 HydrophobicContact CG-CG2 3.55Å; E258-T284 WeakPolarHBondContact OE2-CA 3.2Å; I261-T284 HydrophobicContact CD1-CG2 4.02Å; T284-V286 HydrophobicContact CG2-CG1 3.68Å | ||
| 285 | T | 98.1 | Very high | 95.8 | Very high | 104 Ų | 104 | 74.9 Ų | 74.9 | 64% | 0.638 | 43% | 0.434 | S | S | * | . | trans | -86.6 | 118.1 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 109.7 | E258 Q262 | E258-T285 WeakPolarHBondContact CG-O 3.16Å; E258-T285 PolarHBondContact OE2-N 2.74Å; Q262-T285 PolarHBondContact NE2-O 3.1Å | ||
| 286 | V | 98.1 | Very high | 95.9 | Very high | 47 Ų | 47 | 75.3 Ų | 75.3 | 29% | 0.285 | 44% | 0.436 | S | S | . | . | trans | -133.9 | 152 | -177.4 | -63.9 | 0 | 0 | 0 | 0 | 112 | I261 L265 T284 L288 | I261-V286 HydrophobicContact CB-CG1 4.44Å; I261-V286 HydrophobicContact CG2-CG1 3.67Å; L265-V286 HydrophobicContact CD1-CB 3.8Å; L265-V286 HydrophobicContact CD1-CG1 4.28Å; L265-V286 HydrophobicContact CD1-CG2 4.4Å; T284-V286 HydrophobicContact CG2-CG1 3.68Å; V286-L288 HydrophobicContact CG2-CB 4.49Å; V286-L288 HydrophobicContact CG2-CD1 4.46Å; V286-L288 PolarHBondContact O-N 3.18Å | ||
| 287 | P | 98.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 76.5 Ų | 76.5 | 15% | 0.149 | 44% | 0.443 | C | S | . | . | trans | -76.3 | 62.9 | 177.1 | 35.1 | -41 | 0 | 0 | 0 | 111.5 | L265 Y266 V289 N290 A291 | L265-P287 HydrophobicContact CB-CG 4.22Å; L265-P287 HydrophobicContact CD1-CG 4.11Å; Y266-P287 HydrophobicContact CD1-CG 4.5Å; Y266-P287 HydrophobicContact CD2-CG 4.38Å; Y266-P287 HydrophobicContact CE1-CB 3.92Å; Y266-P287 HydrophobicContact CE1-CG 3.95Å; Y266-P287 HydrophobicContact CE2-CB 4.32Å; Y266-P287 HydrophobicContact CE2-CG 3.81Å; Y266-P287 WeakPolarHBondContact OH-CB 3.03Å; P287-V289 VanDerWaalsContact C-N 3.26Å; P287-V289 PolarHBondContact O-N 2.83Å; P287-N290 HydrophobicContact CB-CB 4.02Å; P287-N290 VanDerWaalsContact O-CB 3.31Å; P287-N290 WeakPolarHBondContact O-CB 3.49Å; P287-N290 PolarHBondContact O-N 3.49Å; P287-A291 PolarHBondContact O-N 3.2Å | ||
| 288 | L | 98.6 | Very high | 95.9 | Very high | 107 Ų | 107 | 78.9 Ų | 78.9 | 56% | 0.56 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -56 | -40.4 | -174.5 | -163.5 | 82 | 0 | 0 | 0 | 112.2 | V286 N290 A291 A292 I298 | V286-L288 HydrophobicContact CG2-CB 4.49Å; V286-L288 HydrophobicContact CG2-CD1 4.46Å; V286-L288 PolarHBondContact O-N 3.18Å; L288-N290 VanDerWaalsContact C-N 3.28Å; L288-N290 PolarHBondContact O-N 3.16Å; L288-A291 PolarHBondContact O-N 2.96Å; L288-A292 WeakPolarHBondContact O-CB 3.22Å; L288-A292 PolarHBondContact O-N 2.92Å; L288-I298 HydrophobicContact CD1-CD1 3.94Å |
| 289 | V | 98.6 | Very high | 96.1 | Very high | 112 Ų | 112 | 82.2 Ų | 82.2 | 68% | 0.679 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.9 | -38.2 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | P287 A291 A292 V293 | P287-V289 VanDerWaalsContact C-N 3.26Å; P287-V289 PolarHBondContact O-N 2.83Å; V289-A291 VanDerWaalsContact C-N 3.35Å; V289-A291 PolarHBondContact O-N 3.32Å; V289-A292 PolarHBondContact O-N 2.8Å; V289-V293 HydrophobicContact CG1-CG1 4.14Å; V289-V293 WeakPolarHBondContact O-CG1 3.38Å; V289-V293 VanDerWaalsContact O-CG2 3.27Å; V289-V293 WeakPolarHBondContact O-CG2 3.49Å; V289-V293 PolarHBondContact O-N 3.4Å |
| 290 | N | 98.6 | Very high | 96.6 | Very high | 51 Ų | 51 | 77.2 Ų | 77.2 | 27% | 0.273 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 177.7 | 179.8 | -88.7 | 0 | 0 | 0 | 112.5 | Y266 P287 L288 R294 | Y266-N290 HydrophobicContact CD1-CB 4.47Å; Y266-N290 HydrophobicContact CE1-CB 4.08Å; P287-N290 HydrophobicContact CB-CB 4.02Å; P287-N290 VanDerWaalsContact O-CB 3.31Å; P287-N290 WeakPolarHBondContact O-CB 3.49Å; P287-N290 PolarHBondContact O-N 3.49Å; L288-N290 VanDerWaalsContact C-N 3.28Å; L288-N290 PolarHBondContact O-N 3.16Å; N290-R294 PolarHBondContact O-NE 3.05Å; N290-R294 VanDerWaalsContact O-NE 3.14Å; N290-R294 PolarHBondContact OD1-NE 3.48Å; N290-R294 PolarHBondContact OD1-NH2 3.02Å |
| 291 | A | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 75.8 Ų | 75.8 | 2% | 0.017 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.7 | -47.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L265 P287 L288 V289 V293 R294 E295 V296 I298 | L265-A291 HydrophobicContact CD2-CB 3.96Å; P287-A291 PolarHBondContact O-N 3.2Å; L288-A291 PolarHBondContact O-N 2.96Å; V289-A291 VanDerWaalsContact C-N 3.35Å; V289-A291 PolarHBondContact O-N 3.32Å; A291-V293 PolarHBondContact O-N 3.01Å; A291-R294 CarbonylContact O-C 3.51Å; A291-R294 PolarHBondContact O-N 3.18Å; A291-R294 VanDerWaalsContact O-N 3.15Å; A291-E295 PolarHBondContact O-N 3.01Å; A291-E295 VanDerWaalsContact O-N 3.1Å; A291-V296 HydrophobicContact CB-CB 4.06Å; A291-V296 PolarHBondContact O-N 3.31Å; A291-I298 HydrophobicContact CB-CD1 4.3Å |
| 292 | A | 98.8 | Very high | 97.5 | Very high | 68 Ų | 68 | 76 Ų | 76 | 56% | 0.562 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.6 | -48.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L288 V289 R294 E295 | L288-A292 WeakPolarHBondContact O-CB 3.22Å; L288-A292 PolarHBondContact O-N 2.92Å; V289-A292 PolarHBondContact O-N 2.8Å; A292-R294 PolarHBondContact O-N 3.42Å; A292-R294 VanDerWaalsContact O-N 3.09Å; A292-E295 PolarHBondContact O-N 3.14Å; A292-E295 VanDerWaalsContact O-N 3.09Å |
| 293 | V | 98.6 | Very high | 98 | Very high | 112 Ų | 112 | 68.7 Ų | 68.7 | 68% | 0.679 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -8.9 | -178.8 | -58.6 | 0 | 0 | 0 | 0 | 113.9 | V289 A291 | V289-V293 HydrophobicContact CG1-CG1 4.14Å; V289-V293 WeakPolarHBondContact O-CG1 3.38Å; V289-V293 VanDerWaalsContact O-CG2 3.27Å; V289-V293 WeakPolarHBondContact O-CG2 3.49Å; V289-V293 PolarHBondContact O-N 3.4Å; A291-V293 PolarHBondContact O-N 3.01Å |
| 294 | R | 98.7 | Very high | 98.3 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 16% | 0.158 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 6 | 177.1 | -65.3 | -169.7 | -57 | 108.3 | -5.1 | 112.7 | L265 T268 S270 G271 N290 A291 A292 V296 | L265-R294 PolarHBondContact O-NH2 3.05Å; T268-R294 PolarHBondContact O-NH1 2.89Å; T268-R294 PolarHBondContact O-NH2 2.85Å; S270-R294 CarbonylContact C-O 3.56Å; S270-R294 WeakPolarHBondContact CA-O 3.38Å; S270-R294 WeakPolarHBondContact CB-O 3.38Å; G271-R294 PolarHBondContact N-O 3.43Å; N290-R294 PolarHBondContact O-NE 3.05Å; N290-R294 VanDerWaalsContact O-NE 3.14Å; N290-R294 PolarHBondContact OD1-NE 3.48Å; N290-R294 PolarHBondContact OD1-NH2 3.02Å; A291-R294 CarbonylContact O-C 3.51Å; A291-R294 PolarHBondContact O-N 3.18Å; A291-R294 VanDerWaalsContact O-N 3.15Å; A292-R294 PolarHBondContact O-N 3.42Å; A292-R294 VanDerWaalsContact O-N 3.09Å; R294-V296 VanDerWaalsContact C-N 3.26Å; R294-V296 HydrophobicContact CB-CG2 4.13Å; R294-V296 PolarHBondContact O-N 2.85Å |
| 295 | E | 98.8 | Very high | 98.4 | Very high | 153 Ų | 153 | 59.6 Ų | 59.6 | 72% | 0.715 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 42.5 | -176.5 | -56.2 | -174.2 | 162.6 | 0 | 0 | 112.5 | G271 A291 A292 | G271-E295 VanDerWaalsContact CA-O 3.25Å; G271-E295 WeakPolarHBondContact CA-O 3.5Å; G271-E295 PolarHBondContact N-O 2.97Å; A291-E295 PolarHBondContact O-N 3.01Å; A291-E295 VanDerWaalsContact O-N 3.1Å; A292-E295 PolarHBondContact O-N 3.14Å; A292-E295 VanDerWaalsContact O-N 3.09Å |
| 296 | V | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.055 | 32% | 0.322 | C | S | . | . | trans | -84.9 | 112.9 | 171.9 | 179.9 | 0 | 0 | 0 | 0 | 109 | T268 C269 G272 V274 A291 R294 | T268-V296 HydrophobicContact CG2-CG1 3.95Å; C269-V296 WeakPolarHBondContact O-CG2 3.33Å; G272-V296 WeakPolarHBondContact O-CA 3.48Å; V274-V296 HydrophobicContact CG2-CG1 3.93Å; A291-V296 HydrophobicContact CB-CB 4.06Å; A291-V296 PolarHBondContact O-N 3.31Å; R294-V296 VanDerWaalsContact C-N 3.26Å; R294-V296 HydrophobicContact CB-CG2 4.13Å; R294-V296 PolarHBondContact O-N 2.85Å | ||
| 297 | D | 98.9 | Very high | 98.5 | Very high | 75 Ų | 75 | 56.4 Ų | 56.4 | 40% | 0.401 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 137.6 | 176.6 | -81.4 | -15.3 | 0 | 0 | 0 | 111.2 | G272 V273 V274 R299 | G272-D297 PolarHBondContact O-N 3.34Å; V273-D297 WeakPolarHBondContact CA-O 3.14Å; V273-D297 HydrophobicContact CB-CB 4.4Å; V273-D297 HydrophobicContact CG1-CB 3.99Å; V273-D297 HydrophobicContact CG2-CB 4.18Å; V274-D297 PolarHBondContact N-O 2.86Å; D297-R299 HydrophobicContact CB-CG 4.35Å; D297-R299 IonicContact OD2-CZ 3.29Å; D297-R299 IonicContact OD2-NE 2.88Å; D297-R299 PolarHBondContact OD2-NE 3.08Å; D297-R299 IonicContact OD2-NH2 3.91Å; D297-R299 PolarHBondContact OD2-NH2 3.02Å |
| 298 | I | 98.8 | Very high | 98.5 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 35% | 0.349 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 114.5 | 172.6 | -51.3 | 178.5 | 0 | 0 | 0 | 107.8 | L265 L276 L288 A291 | L265-I298 HydrophobicContact CD1-CD1 4.37Å; L265-I298 HydrophobicContact CD2-CD1 3.53Å; L265-I298 HydrophobicContact CD2-CG1 3.69Å; L276-I298 HydrophobicContact CD1-CG2 3.79Å; L276-I298 HydrophobicContact CG-CG2 4.09Å; L288-I298 HydrophobicContact CD1-CD1 3.94Å; A291-I298 HydrophobicContact CB-CD1 4.3Å |
| 299 | R | 98.7 | Very high | 98.5 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 33% | 0.328 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.3 | -174.6 | -56.3 | -179 | -172.4 | 175.3 | 0.5 | 109.8 | R170 V273 V274 L275 L276 D297 | R170-R299 PolarHBondContact O-NH1 2.8Å; V273-R299 HydrophobicContact CG1-CG 3.99Å; V274-R299 PolarHBondContact O-N 2.8Å; L275-R299 CarbonylContact C-O 3.5Å; L275-R299 VanDerWaalsContact CA-O 3.31Å; L275-R299 WeakPolarHBondContact CA-O 3.44Å; L275-R299 HydrophobicContact CD1-CB 3.89Å; L275-R299 HydrophobicContact CD2-CB 4.24Å; L276-R299 PolarHBondContact N-O 3.07Å; D297-R299 HydrophobicContact CB-CG 4.35Å; D297-R299 IonicContact OD2-CZ 3.29Å; D297-R299 IonicContact OD2-NE 2.88Å; D297-R299 PolarHBondContact OD2-NE 3.08Å; D297-R299 IonicContact OD2-NH2 3.91Å; D297-R299 PolarHBondContact OD2-NH2 3.02Å |
| 300 | G | 98 | Very high | 98.5 | Very high | 37 Ų | 37 | 52.5 Ų | 52.5 | 38% | 0.381 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 167 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R170 L276 | R170-G300 PolarHBondContact NE-O 2.76Å; R170-G300 PolarHBondContact NH1-O 3.25Å; R170-G300 PolarHBondContact NH2-O 3.21Å; L276-G300 CarbonylContact O-C 3.49Å |
| 301 | V | 98.3 | Very high | 98.5 | Very high | 18 Ų | 18 | 50 Ų | 50 | 11% | 0.109 | 27% | 0.272 | C | S | . | . | trans | -126.1 | 131.3 | 165.4 | 166.4 | 0 | 0 | 0 | 0 | 108.2 | A167 L275 L276 V277 | A167-V301 HydrophobicContact CB-CG2 4.13Å; L275-V301 HydrophobicContact CD1-CG2 3.62Å; L276-V301 PolarHBondContact O-N 3.32Å; V277-V301 HydrophobicContact CG1-CB 4.43Å; V277-V301 HydrophobicContact CG1-CG1 4.27Å; V277-V301 HydrophobicContact CG2-CB 4.17Å; V277-V301 HydrophobicContact CG2-CG2 3.99Å | ||
| 302 | F | 97.1 | Very high | 98.5 | Very high | 81 Ų | 81 | 50.9 Ų | 50.9 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | trans | -124.5 | 99.2 | 172.3 | -174.2 | -116.3 | 0 | 0 | 0 | 108.7 | N115 L116 Y304 | N115-F302 PolarHBondContact ND2-O 2.5Å; N115-F302 VanDerWaalsContact O-CD1 3.3Å; N115-F302 WeakPolarHBondContact O-CD1 3.44Å; N115-F302 VanDerWaalsContact O-CE1 3.32Å; N115-F302 WeakPolarHBondContact O-CE1 3.38Å; L116-F302 HydrophobicContact CD2-CB 4.39Å; L116-F302 HydrophobicContact CD2-CD1 4.24Å; F302-Y304 PolarHBondContact O-N 3.19Å | ||
| 303 | R | 97.5 | Very high | 98.5 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 14% | 0.143 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 55.5 | -117.3 | -177.6 | -56.8 | 156.2 | 173.1 | 177.1 | -0.5 | 110.3 | F122 T125 | F122-R303 HydrophobicContact CE2-CB 4.45Å; F122-R303 HydrophobicContact CE2-CG 3.97Å; F122-R303 VanDerWaalsContact CG-NH1 3.35Å; F122-R303 VanDerWaalsContact CG-NH2 3.33Å; F122-R303 HydrophobicContact CZ-CG 4.09Å; T125-R303 PolarHBondContact OG1-NH2 2.79Å; T125-R303 VanDerWaalsContact OG1-NH2 3.11Å |
| 304 | Y | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | trans | -166.8 | 162.8 | -176.7 | 39.8 | -100.4 | 0 | 0 | 0 | 111.2 | E98 P99 N115 E159 S162 V163 F302 Y308 | E98-Y304 HydrophobicContact CG-CE2 4.14Å; P99-Y304 VanDerWaalsContact CD-OH 3.28Å; P99-Y304 WeakPolarHBondContact CD-OH 3.33Å; P99-Y304 WeakPolarHBondContact CG-OH 3.29Å; N115-Y304 WeakPolarHBondContact CB-O 3.32Å; E159-Y304 VanDerWaalsContact CD-OH 3.26Å; E159-Y304 HydrophobicContact CG-CE1 4.4Å; E159-Y304 VanDerWaalsContact CG-OH 3.23Å; E159-Y304 WeakPolarHBondContact CG-OH 3.26Å; E159-Y304 WeakPolarHBondContact O-CE1 3.21Å; E159-Y304 WeakPolarHBondContact OE1-CE1 3.49Å; E159-Y304 VanDerWaalsContact OE1-CZ 3.3Å; E159-Y304 PolarHBondContact OE1-OH 2.94Å; S162-Y304 VanDerWaalsContact CB-CD1 3.48Å; S162-Y304 VanDerWaalsContact CB-CG 3.5Å; V163-Y304 HydrophobicContact CB-CD1 4.48Å; V163-Y304 HydrophobicContact CG2-CD1 3.69Å; V163-Y304 HydrophobicContact CG2-CE1 3.81Å; F302-Y304 PolarHBondContact O-N 3.19Å; Y304-Y308 HydrophobicContact CD2-CE2 4.31Å; Y304-Y308 AromaticContact CE2-CE2 3.76Å; Y304-Y308 HydrophobicContact CE2-CE2 3.76Å | ||
| 305 | C | 98.6 | Very high | 98.5 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -142.8 | 146.3 | 165.9 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | Y114 N115 T307 | Y114-C305 HydrophobicContact CD1-CB 4.11Å; Y114-C305 HydrophobicContact CD2-CB 4.44Å; Y114-C305 HydrophobicContact CE1-CB 3.72Å; Y114-C305 HydrophobicContact CE2-CB 4.08Å; Y114-C305 HydrophobicContact CG-CB 4.45Å; Y114-C305 WeakPolarHBondContact OH-CA 3.47Å; N115-C305 HydrophobicContact CB-CB 4.05Å; N115-C305 WeakPolarHBondContact OD1-CB 3.35Å; N115-C305 PolarHBondContact OD1-SG 3.08Å; C305-T307 VanDerWaalsContact C-N 3.34Å; C305-T307 WeakPolarHBondContact O-CG2 3.38Å; C305-T307 PolarHBondContact O-N 3.17Å |
| 306 | N | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 39.2 Ų | 39.2 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 55.4 | 42.9 | 176.4 | -51.9 | -73.5 | 0 | 0 | 0 | 113.4 | G112 Y114 R169 | G112-N306 PolarHBondContact O-ND2 3.18Å; Y114-N306 PolarHBondContact OH-N 3.36Å; R169-N306 PolarHBondContact NH1-O 2.96Å; R169-N306 PolarHBondContact NH2-O 3.31Å |
| 307 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -110 | -34.7 | -174.6 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | S162 I165 H166 C305 M310 A311 | S162-T307 WeakPolarHBondContact CB-OG1 3.17Å; S162-T307 WeakPolarHBondContact OG-CB 3.41Å; S162-T307 PolarHBondContact OG-OG1 3.11Å; I165-T307 HydrophobicContact CB-CG2 4.07Å; I165-T307 HydrophobicContact CG2-CG2 3.73Å; H166-T307 HydrophobicContact CB-CG2 4.24Å; C305-T307 VanDerWaalsContact C-N 3.34Å; C305-T307 WeakPolarHBondContact O-CG2 3.38Å; C305-T307 PolarHBondContact O-N 3.17Å; T307-M310 WeakPolarHBondContact O-CA 3.26Å; T307-M310 WeakPolarHBondContact O-CB 3.36Å; T307-M310 PolarHBondContact O-N 3.13Å; T307-A311 PolarHBondContact O-N 2.95Å | ||
| 308 | Y | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.8 | -47.1 | -170.9 | -89.4 | -115.5 | 0 | 0 | 0 | 113.8 | A96 I97 E98 P99 Y144 I158 E159 Y304 M310 A311 I312 | A96-Y308 HydrophobicContact CB-CD1 4.31Å; A96-Y308 HydrophobicContact CB-CE1 4.19Å; I97-Y308 VanDerWaalsContact C-CE1 3.44Å; I97-Y308 VanDerWaalsContact O-CE1 3.31Å; I97-Y308 WeakPolarHBondContact O-CE1 3.37Å; I97-Y308 PolarHBondContact O-OH 2.83Å; E98-Y308 WeakPolarHBondContact CA-OH 3.38Å; E98-Y308 HydrophobicContact CB-CD1 3.99Å; E98-Y308 HydrophobicContact CB-CD2 3.81Å; E98-Y308 HydrophobicContact CB-CE1 3.8Å; E98-Y308 HydrophobicContact CB-CE2 3.65Å; E98-Y308 HydrophobicContact CB-CG 4.01Å; E98-Y308 HydrophobicContact CG-CD2 3.77Å; E98-Y308 HydrophobicContact CG-CE2 3.58Å; E98-Y308 HydrophobicContact CG-CG 4.42Å; P99-Y308 WeakPolarHBondContact CD-OH 3.41Å; Y144-Y308 AromaticContact CD2-CD1 3.53Å; Y144-Y308 HydrophobicContact CD2-CD1 3.53Å; Y144-Y308 HydrophobicContact CD2-CE1 4.5Å; Y144-Y308 AromaticContact CD2-CG 3.83Å; Y144-Y308 HydrophobicContact CD2-CG 3.83Å; Y144-Y308 VanDerWaalsContact CE2-CB 3.48Å; Y144-Y308 AromaticContact CE2-CD1 3.87Å; Y144-Y308 HydrophobicContact CE2-CD1 3.87Å; Y144-Y308 AromaticContact CE2-CG 3.74Å; Y144-Y308 HydrophobicContact CE2-CG 3.74Å; Y144-Y308 HydrophobicContact CG-CD1 4.3Å; I158-Y308 HydrophobicContact CB-CD1 4.49Å; I158-Y308 HydrophobicContact CB-CE1 4.28Å; I158-Y308 HydrophobicContact CG2-CD1 3.43Å; I158-Y308 VanDerWaalsContact CG2-CD1 3.43Å; I158-Y308 HydrophobicContact CG2-CD2 4.03Å; I158-Y308 HydrophobicContact CG2-CE1 3.53Å; I158-Y308 HydrophobicContact CG2-CE2 4.08Å; I158-Y308 HydrophobicContact CG2-CG 3.69Å; E159-Y308 WeakPolarHBondContact CA-OH 3.35Å; E159-Y308 WeakPolarHBondContact CB-OH 3.21Å; Y304-Y308 HydrophobicContact CD2-CE2 4.31Å; Y304-Y308 AromaticContact CE2-CE2 3.76Å; Y304-Y308 HydrophobicContact CE2-CE2 3.76Å; Y308-M310 VanDerWaalsContact C-N 3.31Å; Y308-M310 PolarHBondContact O-N 3.06Å; Y308-A311 PolarHBondContact O-N 2.87Å; Y308-I312 WeakPolarHBondContact O-CG1 3.33Å; Y308-I312 PolarHBondContact O-N 2.96Å |
| 309 | P | 98.7 | Very high | 98 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 175 | -27.1 | 36 | 0 | 0 | 0 | 113.6 | Y144 A313 | Y144-P309 HydrophobicContact CD1-CG 4.07Å; Y144-P309 HydrophobicContact CE1-CG 3.66Å; P309-A313 WeakPolarHBondContact O-CB 3.26Å; P309-A313 PolarHBondContact O-N 3.23Å |
| 310 | M | 98.3 | Very high | 97.9 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 41% | 0.414 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 177 | 176 | 175.2 | -79.4 | 0 | 0 | 111.1 | I165 R169 T307 Y308 I312 A313 M314 | I165-M310 HydrophobicContact CD1-CG 4.39Å; I165-M310 HydrophobicContact CG2-SD 3.86Å; R169-M310 PolarHBondContact NH2-SD 3.13Å; T307-M310 WeakPolarHBondContact O-CA 3.26Å; T307-M310 WeakPolarHBondContact O-CB 3.36Å; T307-M310 PolarHBondContact O-N 3.13Å; Y308-M310 VanDerWaalsContact C-N 3.31Å; Y308-M310 PolarHBondContact O-N 3.06Å; M310-I312 VanDerWaalsContact C-N 3.35Å; M310-I312 PolarHBondContact O-N 3.41Å; M310-A313 PolarHBondContact O-N 3.44Å; M310-M314 HydrophobicContact CG-CG 4.27Å; M310-M314 HydrophobicContact CG-SD 3.88Å; M310-M314 VanDerWaalsContact O-CG 3.27Å; M310-M314 WeakPolarHBondContact O-CG 3.43Å; M310-M314 PolarHBondContact O-N 2.88Å; M310-M314 HydrophobicContact SD-SD 4.48Å |
| 311 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I158 L161 I165 T307 Y308 A313 M314 L315 | I158-A311 HydrophobicContact CB-CB 4.34Å; I158-A311 HydrophobicContact CG1-CB 4.12Å; I158-A311 HydrophobicContact CG2-CB 3.61Å; L161-A311 HydrophobicContact CD2-CB 4.05Å; I165-A311 HydrophobicContact CD1-CB 3.74Å; T307-A311 PolarHBondContact O-N 2.95Å; Y308-A311 PolarHBondContact O-N 2.87Å; A311-A313 VanDerWaalsContact C-N 3.34Å; A311-A313 PolarHBondContact O-N 2.86Å; A311-M314 PolarHBondContact O-N 3.19Å; A311-L315 WeakPolarHBondContact O-CG 3.2Å; A311-L315 PolarHBondContact O-N 3.48Å |
| 312 | I | 98.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 174.7 | -68.7 | 171.7 | 0 | 0 | 0 | 110.8 | Y144 L146 P147 I150 I158 Y308 M310 M314 L315 S316 | Y144-I312 VanDerWaalsContact CB-CD1 3.48Å; Y144-I312 HydrophobicContact CG-CD1 4.37Å; L146-I312 HydrophobicContact CD2-CD1 4.49Å; L146-I312 HydrophobicContact CD2-CG1 4.42Å; P147-I312 HydrophobicContact CG-CG2 3.89Å; I150-I312 HydrophobicContact CD1-CG2 4.04Å; I158-I312 HydrophobicContact CD1-CD1 4.34Å; I158-I312 HydrophobicContact CD1-CG1 3.5Å; Y308-I312 WeakPolarHBondContact O-CG1 3.33Å; Y308-I312 PolarHBondContact O-N 2.96Å; M310-I312 VanDerWaalsContact C-N 3.35Å; M310-I312 PolarHBondContact O-N 3.41Å; I312-M314 PolarHBondContact O-N 3.43Å; I312-L315 PolarHBondContact O-N 3.01Å; I312-S316 WeakPolarHBondContact O-CB 3.42Å; I312-S316 PolarHBondContact O-N 3.34Å |
| 313 | A | 98.6 | Very high | 97.9 | Very high | 58 Ų | 58 | 44.9 Ų | 44.9 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P309 M310 A311 S317 | P309-A313 WeakPolarHBondContact O-CB 3.26Å; P309-A313 PolarHBondContact O-N 3.23Å; M310-A313 PolarHBondContact O-N 3.44Å; A311-A313 VanDerWaalsContact C-N 3.34Å; A311-A313 PolarHBondContact O-N 2.86Å; A313-S317 VanDerWaalsContact O-CB 3.29Å; A313-S317 WeakPolarHBondContact O-CB 3.5Å; A313-S317 PolarHBondContact O-N 2.84Å; A313-S317 PolarHBondContact O-OG 3.18Å |
| 314 | M | 98.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 45.4 Ų | 45.4 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.6 | -70.4 | 172.8 | 81.8 | 0 | 0 | 111.9 | I165 A197 M310 A311 I312 S317 K319 V320 | I165-M314 HydrophobicContact CD1-SD 4.04Å; I165-M314 HydrophobicContact CG1-SD 4.32Å; A197-M314 HydrophobicContact CB-CE 3.47Å; A197-M314 VanDerWaalsContact CB-CE 3.47Å; M310-M314 HydrophobicContact CG-CG 4.27Å; M310-M314 HydrophobicContact CG-SD 3.88Å; M310-M314 VanDerWaalsContact O-CG 3.27Å; M310-M314 WeakPolarHBondContact O-CG 3.43Å; M310-M314 PolarHBondContact O-N 2.88Å; M310-M314 HydrophobicContact SD-SD 4.48Å; A311-M314 PolarHBondContact O-N 3.19Å; I312-M314 PolarHBondContact O-N 3.43Å; M314-S317 PolarHBondContact O-OG 3.43Å; M314-K319 PolarHBondContact O-N 2.85Å; M314-K319 VanDerWaalsContact O-N 3.15Å; M314-V320 HydrophobicContact CB-CB 4.37Å; M314-V320 HydrophobicContact CB-CG2 4.45Å; M314-V320 HydrophobicContact CE-CG2 3.61Å; M314-V320 PolarHBondContact O-N 3.12Å |
| 315 | L | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.5 | -49.7 | 176.5 | -67.9 | 171.8 | 0 | 0 | 0 | 111.6 | I150 E154 I158 L161 A311 I312 S317 G318 V320 V322 | I150-L315 HydrophobicContact CD1-CB 3.7Å; I150-L315 HydrophobicContact CG1-CB 4.3Å; E154-L315 HydrophobicContact CB-CD1 4.4Å; I158-L315 HydrophobicContact CD1-CD1 4.17Å; I158-L315 HydrophobicContact CG1-CD1 3.67Å; L161-L315 HydrophobicContact CD2-CD1 4.35Å; L161-L315 HydrophobicContact CD2-CD2 4.36Å; L161-L315 HydrophobicContact CD2-CG 4.23Å; A311-L315 WeakPolarHBondContact O-CG 3.2Å; A311-L315 PolarHBondContact O-N 3.48Å; I312-L315 PolarHBondContact O-N 3.01Å; L315-S317 VanDerWaalsContact C-N 3.26Å; L315-S317 PolarHBondContact O-N 3.45Å; L315-G318 PolarHBondContact O-N 2.84Å; L315-V320 HydrophobicContact CD2-CG1 4.1Å; L315-V322 HydrophobicContact CD2-CB 4.45Å; L315-V322 HydrophobicContact CD2-CG1 4.1Å; L315-V322 HydrophobicContact CD2-CG2 3.64Å |
| 316 | S | 98.3 | Very high | 97.9 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -35.2 | -177.5 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | N149 I312 G318 | N149-S316 PolarHBondContact ND2-O 3.44Å; N149-S316 PolarHBondContact OD1-OG 2.67Å; N149-S316 VanDerWaalsContact OD1-OG 3.13Å; I312-S316 WeakPolarHBondContact O-CB 3.42Å; I312-S316 PolarHBondContact O-N 3.34Å; S316-G318 VanDerWaalsContact C-N 3.27Å; S316-G318 PolarHBondContact O-N 3.21Å |
| 317 | S | 98.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -5.7 | 176.5 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | A313 M314 L315 K319 | A313-S317 VanDerWaalsContact O-CB 3.29Å; A313-S317 WeakPolarHBondContact O-CB 3.5Å; A313-S317 PolarHBondContact O-N 2.84Å; A313-S317 PolarHBondContact O-OG 3.18Å; M314-S317 PolarHBondContact O-OG 3.43Å; L315-S317 VanDerWaalsContact C-N 3.26Å; L315-S317 PolarHBondContact O-N 3.45Å; S317-K319 PolarHBondContact O-N 3.35Å; S317-K319 WeakPolarHBondContact OG-CG 3.43Å |
| 318 | G | 96.2 | Very high | 97.8 | Very high | 62 Ų | 62 | 46.8 Ų | 46.8 | 64% | 0.639 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 9.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | L315 S316 V320 | L315-G318 PolarHBondContact O-N 2.84Å; S316-G318 VanDerWaalsContact C-N 3.27Å; S316-G318 PolarHBondContact O-N 3.21Å; G318-V320 PolarHBondContact O-N 2.94Å |
| 319 | K | 92.5 | Very high | 97.8 | Very high | 165 Ų | 165 | 51.8 Ų | 51.8 | 72% | 0.717 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -66.5 | -24.4 | 177.2 | -75.9 | -176.2 | 178.1 | -176.2 | 0 | 112.8 | M314 S317 | M314-K319 PolarHBondContact O-N 2.85Å; M314-K319 VanDerWaalsContact O-N 3.15Å; S317-K319 PolarHBondContact O-N 3.35Å; S317-K319 WeakPolarHBondContact OG-CG 3.43Å |
| 320 | V | 96.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | trans | -132.1 | 140.2 | 178.7 | 157.6 | 0 | 0 | 0 | 0 | 109.2 | L161 I193 A197 M314 L315 G318 V322 | L161-V320 HydrophobicContact CD1-CG1 4.48Å; L161-V320 HydrophobicContact CD2-CG1 4.41Å; I193-V320 HydrophobicContact CG2-CB 3.96Å; I193-V320 HydrophobicContact CG2-CG1 3.24Å; I193-V320 HydrophobicContact CG2-CG2 3.54Å; A197-V320 HydrophobicContact CB-CG2 3.74Å; M314-V320 HydrophobicContact CB-CB 4.37Å; M314-V320 HydrophobicContact CB-CG2 4.45Å; M314-V320 HydrophobicContact CE-CG2 3.61Å; M314-V320 PolarHBondContact O-N 3.12Å; L315-V320 HydrophobicContact CD2-CG1 4.1Å; G318-V320 PolarHBondContact O-N 2.94Å; V320-V322 HydrophobicContact CG1-CG1 3.79Å | ||
| 321 | N | 97 | Very high | 97.8 | Very high | 84 Ų | 84 | 46.9 Ų | 46.9 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | trans | -120.6 | 112.5 | 172 | -179.6 | 17.4 | 0 | 0 | 0 | 110 | K323 P324 | N321-K323 WeakPolarHBondContact OD1-CB 3.38Å; N321-K323 WeakPolarHBondContact OD1-CG 3.34Å; N321-K323 PolarHBondContact OD1-N 3.32Å; N321-K323 VanDerWaalsContact OD1-N 3.14Å; N321-P324 WeakPolarHBondContact OD1-CD 3.37Å | ||
| 322 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -100.2 | -7.4 | 177.6 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | E154 L157 L161 I193 L315 V320 P324 L325 | E154-V322 HydrophobicContact CB-CG2 4.47Å; E154-V322 HydrophobicContact CG-CG2 4.13Å; L157-V322 HydrophobicContact CB-CB 4.34Å; L157-V322 HydrophobicContact CB-CG2 3.87Å; L157-V322 HydrophobicContact CD1-CB 3.96Å; L157-V322 HydrophobicContact CD1-CG2 3.58Å; L157-V322 HydrophobicContact CG-CG2 4.38Å; L161-V322 HydrophobicContact CD1-CG1 4.28Å; L161-V322 HydrophobicContact CD2-CG1 4.16Å; I193-V322 HydrophobicContact CD1-CG1 4.45Å; L315-V322 HydrophobicContact CD2-CB 4.45Å; L315-V322 HydrophobicContact CD2-CG1 4.1Å; L315-V322 HydrophobicContact CD2-CG2 3.64Å; V320-V322 HydrophobicContact CG1-CG1 3.79Å; V322-P324 VanDerWaalsContact C-N 3.34Å; V322-L325 HydrophobicContact CB-CD1 4.18Å; V322-L325 HydrophobicContact CG1-CD1 4.45Å; V322-L325 VanDerWaalsContact O-CB 3.29Å; V322-L325 WeakPolarHBondContact O-CB 3.25Å; V322-L325 WeakPolarHBondContact O-CG 3.27Å; V322-L325 PolarHBondContact O-N 2.81Å | ||
| 323 | K | 98.3 | Very high | 97.8 | Very high | 102 Ų | 102 | 50.1 Ų | 50.1 | 44% | 0.443 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -54.6 | -40.3 | -176.7 | -60.2 | 178.9 | -178.2 | -179.3 | 0 | 113.7 | E154 N321 L325 V326 | E154-K323 HydrophobicContact CG-CG 3.98Å; E154-K323 WeakPolarHBondContact OE1-CE 3.35Å; E154-K323 IonicContact OE1-NZ 3.33Å; E154-K323 WeakPolarHBondContact OE2-CE 3.44Å; E154-K323 IonicContact OE2-NZ 3.74Å; E154-K323 PolarHBondContact OE2-NZ 2.82Å; N321-K323 WeakPolarHBondContact OD1-CB 3.38Å; N321-K323 WeakPolarHBondContact OD1-CG 3.34Å; N321-K323 PolarHBondContact OD1-N 3.32Å; N321-K323 VanDerWaalsContact OD1-N 3.14Å; K323-L325 PolarHBondContact O-N 3.06Å; K323-L325 VanDerWaalsContact O-N 3.09Å; K323-V326 PolarHBondContact O-N 3.11Å; K323-V326 VanDerWaalsContact O-N 3.14Å |
| 324 | P | 97.7 | Very high | 97.8 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -61.6 | -18.7 | 179.7 | -24.5 | 35.5 | 0 | 0 | 0 | 114.4 | L219 N321 V322 V326 | L219-P324 HydrophobicContact CD2-CB 4.21Å; L219-P324 HydrophobicContact CD2-CG 4.13Å; N321-P324 WeakPolarHBondContact OD1-CD 3.37Å; V322-P324 VanDerWaalsContact C-N 3.34Å; P324-V326 VanDerWaalsContact C-N 3.26Å; P324-V326 PolarHBondContact O-N 3Å |
| 325 | L | 98.2 | Very high | 97.8 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -67.9 | -27.7 | 178.6 | -57 | 179.5 | 0 | 0 | 0 | 112 | L189 V190 I193 M215 L219 V322 K323 T327 I348 K349 | L189-L325 HydrophobicContact CB-CD2 3.76Å; L189-L325 HydrophobicContact CD1-CD2 3.73Å; L189-L325 HydrophobicContact CG-CD2 4.41Å; V190-L325 HydrophobicContact CG1-CD1 3.58Å; I193-L325 HydrophobicContact CD1-CD1 4.28Å; M215-L325 HydrophobicContact SD-CD2 4.28Å; L219-L325 HydrophobicContact CD1-CD2 3.68Å; V322-L325 HydrophobicContact CB-CD1 4.18Å; V322-L325 HydrophobicContact CG1-CD1 4.45Å; V322-L325 VanDerWaalsContact O-CB 3.29Å; V322-L325 WeakPolarHBondContact O-CB 3.25Å; V322-L325 WeakPolarHBondContact O-CG 3.27Å; V322-L325 PolarHBondContact O-N 2.81Å; K323-L325 PolarHBondContact O-N 3.06Å; K323-L325 VanDerWaalsContact O-N 3.09Å; L325-T327 PolarHBondContact O-N 2.8Å; L325-I348 HydrophobicContact CB-CG2 4.31Å; L325-I348 HydrophobicContact CD2-CG2 4.17Å; L325-I348 WeakPolarHBondContact O-CB 3.42Å; L325-K349 HydrophobicContact CB-CB 4.46Å; L325-K349 WeakPolarHBondContact O-CA 3.18Å; L325-K349 WeakPolarHBondContact O-CB 3.15Å; L325-K349 PolarHBondContact O-N 3.17Å |
| 326 | V | 98.5 | Very high | 97.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 102.4 | -179.9 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | L157 K323 P324 R329 M351 | L157-V326 HydrophobicContact CD1-CG2 3.68Å; L157-V326 HydrophobicContact CD2-CG2 4.49Å; L157-V326 HydrophobicContact CG-CG2 4.42Å; K323-V326 PolarHBondContact O-N 3.11Å; K323-V326 VanDerWaalsContact O-N 3.14Å; P324-V326 VanDerWaalsContact C-N 3.26Å; P324-V326 PolarHBondContact O-N 3Å; V326-R329 HydrophobicContact CG1-CG 4.02Å; V326-R329 VanDerWaalsContact CG1-CZ 3.49Å; V326-M351 HydrophobicContact CB-CG 4.49Å; V326-M351 HydrophobicContact CG1-CB 4.11Å; V326-M351 HydrophobicContact CG1-CG 3.58Å; V326-M351 HydrophobicContact CG2-CG 4.06Å |
| 327 | T | 97.9 | Very high | 97.7 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -26.9 | -178.1 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | M215 L325 G347 I348 K349 | M215-T327 HydrophobicContact CE-CG2 4.18Å; L325-T327 PolarHBondContact O-N 2.8Å; T327-G347 WeakPolarHBondContact OG1-CA 3.39Å; T327-I348 HydrophobicContact CG2-CB 4Å; T327-I348 HydrophobicContact CG2-CG1 4.19Å; T327-I348 PolarHBondContact OG1-N 3.31Å; T327-K349 PolarHBondContact N-O 2.94Å; T327-K349 PolarHBondContact OG1-O 3.38Å |
| 328 | H | 98.4 | Very high | 97.8 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147 | -177.8 | -61.6 | 99.2 | 0 | 0 | 0 | 111.1 | F330 L346 K349 V350 M351 | H328-F330 HydrophobicContact CB-CD2 4.45Å; H328-F330 HydrophobicContact CB-CE2 3.75Å; H328-F330 HydrophobicContact CB-CZ 4.44Å; H328-L346 PolarHBondContact CE1-O 2.63Å; H328-L346 PolarHBondContact ND1-O 3.4Å; H328-K349 PolarHBondContact N-O 2.75Å; H328-V350 HydrophobicContact CB-CG1 4.22Å; H328-V350 HydrophobicContact CB-CG2 4.19Å; H328-M351 PolarHBondContact O-N 2.91Å |
| 329 | R | 98.6 | Very high | 97.9 | Very high | 107 Ų | 107 | 49 Ų | 49 | 40% | 0.404 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.5 | 177.6 | -64.9 | 171.6 | -177.4 | 76.9 | 5.6 | 108.8 | E153 V326 M351 | E153-R329 VanDerWaalsContact OE1-CD 3.22Å; E153-R329 WeakPolarHBondContact OE1-CD 3.41Å; E153-R329 IonicContact OE1-CZ 3.46Å; E153-R329 IonicContact OE1-NE 2.71Å; E153-R329 PolarHBondContact OE1-NE 3.32Å; E153-R329 IonicContact OE2-CZ 3.83Å; E153-R329 IonicContact OE2-NE 3.87Å; E153-R329 PolarHBondContact OE2-NE 3.32Å; E153-R329 IonicContact OE2-NH2 3.88Å; E153-R329 PolarHBondContact OE2-NH2 2.8Å; V326-R329 HydrophobicContact CG1-CG 4.02Å; V326-R329 VanDerWaalsContact CG1-CZ 3.49Å; R329-M351 CarbonylContact C-O 3.5Å; R329-M351 VanDerWaalsContact CA-O 3.32Å; R329-M351 WeakPolarHBondContact CA-O 3.31Å; R329-M351 HydrophobicContact CG-CB 4.21Å |
| 330 | F | 98.7 | Very high | 98.1 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.1 | 177.4 | -63.6 | -84.9 | 0 | 0 | 0 | 109.6 | H328 Q334 Q337 A338 T341 V350 M351 L352 K353 | H328-F330 HydrophobicContact CB-CD2 4.45Å; H328-F330 HydrophobicContact CB-CE2 3.75Å; H328-F330 HydrophobicContact CB-CZ 4.44Å; F330-Q334 HydrophobicContact CB-CB 4.17Å; F330-Q334 HydrophobicContact CD1-CB 4.29Å; F330-Q337 HydrophobicContact CD1-CG 4.45Å; F330-Q337 HydrophobicContact CE1-CG 3.82Å; F330-Q337 HydrophobicContact CZ-CG 4.24Å; F330-A338 HydrophobicContact CB-CB 4.05Å; F330-A338 HydrophobicContact CD2-CB 3.5Å; F330-A338 HydrophobicContact CE2-CB 4.12Å; F330-A338 HydrophobicContact CG-CB 3.89Å; F330-T341 HydrophobicContact CE2-CG2 4.36Å; F330-V350 HydrophobicContact CD2-CG1 3.61Å; F330-V350 HydrophobicContact CE2-CG1 3.72Å; F330-M351 PolarHBondContact N-O 3.34Å; F330-L352 HydrophobicContact CB-CD2 3.84Å; F330-L352 CarbonylContact O-C 3.49Å; F330-L352 VanDerWaalsContact O-CA 3.3Å; F330-L352 WeakPolarHBondContact O-CA 3.4Å; F330-K353 PolarHBondContact O-N 2.67Å |
| 331 | P | 98.6 | Very high | 98.2 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 22% | 0.221 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 155 | 165.1 | 29.8 | -34.8 | 0 | 0 | 0 | 110.3 | E333 Q334 L352 | P331-E333 PolarHBondContact O-N 2.93Å; P331-E333 VanDerWaalsContact O-N 3.12Å; P331-Q334 HydrophobicContact CG-CB 4.18Å; P331-Q334 HydrophobicContact CG-CG 3.87Å; P331-Q334 PolarHBondContact O-N 2.61Å; P331-L352 WeakPolarHBondContact O-CD2 3.19Å |
| 332 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -51.1 | -37.3 | 179.6 | -176 | 63.8 | 0 | 0 | 0 | 113.2 | L13 V15 L132 R134 Q334 A335 K353 | L13-L332 HydrophobicContact CB-CD2 4.36Å; L13-L332 WeakPolarHBondContact O-CD2 3.38Å; V15-L332 HydrophobicContact CG2-CD1 3.59Å; V15-L332 HydrophobicContact CG2-CG 4.42Å; L132-L332 HydrophobicContact CD1-CD1 4.1Å; L132-L332 HydrophobicContact CG-CD1 3.93Å; R134-L332 HydrophobicContact CG-CD2 4.38Å; L332-Q334 PolarHBondContact O-N 3.2Å; L332-Q334 VanDerWaalsContact O-N 3.15Å; L332-A335 VanDerWaalsContact O-CB 3.28Å; L332-A335 WeakPolarHBondContact O-CB 3.43Å; L332-A335 PolarHBondContact O-N 3.2Å; L332-K353 PolarHBondContact N-O 2.82Å |
| 333 | E | 98.2 | Very high | 98 | Very high | 87 Ų | 87 | 47 Ų | 47 | 41% | 0.407 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -58.8 | -23.6 | 177.6 | -69.1 | 86.1 | 166.3 | 0 | 0 | 113.3 | L13 I25 R134 P331 K356 | L13-E333 HydrophobicContact CD2-CG 4.21Å; I25-E333 VanDerWaalsContact CD1-O 3.27Å; I25-E333 WeakPolarHBondContact CD1-O 3.17Å; R134-E333 IonicContact CZ-OE1 2.67Å; R134-E333 IonicContact CZ-OE2 3.42Å; R134-E333 IonicContact NH1-OE2 3.37Å; R134-E333 IonicContact NH2-OE1 3.93Å; R134-E333 PolarHBondContact NH2-OE1 3.14Å; R134-E333 IonicContact NH2-OE2 3.46Å; R134-E333 PolarHBondContact NH2-OE2 2.61Å; P331-E333 PolarHBondContact O-N 2.93Å; P331-E333 VanDerWaalsContact O-N 3.12Å; E333-K356 VanDerWaalsContact OE1-CE 3.31Å; E333-K356 WeakPolarHBondContact OE1-CE 3.46Å |
| 334 | Q | 98.4 | Very high | 97.8 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -99.8 | 21.5 | 178.8 | -66.8 | 177.3 | 19.4 | 0 | 0 | 112.3 | F330 P331 L332 G336 Q337 A338 | F330-Q334 HydrophobicContact CB-CB 4.17Å; F330-Q334 HydrophobicContact CD1-CB 4.29Å; P331-Q334 HydrophobicContact CG-CB 4.18Å; P331-Q334 HydrophobicContact CG-CG 3.87Å; P331-Q334 PolarHBondContact O-N 2.61Å; L332-Q334 PolarHBondContact O-N 3.2Å; L332-Q334 VanDerWaalsContact O-N 3.15Å; Q334-G336 PolarHBondContact O-N 3.32Å; Q334-G336 VanDerWaalsContact O-N 3.17Å; Q334-Q337 PolarHBondContact O-N 3.01Å; Q334-A338 PolarHBondContact O-N 3.1Å |
| 335 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -51.6 | -40.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V15 I25 L332 Q337 A338 F339 L352 | V15-A335 HydrophobicContact CB-CB 4.48Å; V15-A335 HydrophobicContact CG1-CB 4.17Å; V15-A335 HydrophobicContact CG2-CB 3.44Å; V15-A335 VanDerWaalsContact CG2-CB 3.44Å; I25-A335 HydrophobicContact CD1-CB 4.1Å; I25-A335 HydrophobicContact CG1-CB 4.47Å; L332-A335 VanDerWaalsContact O-CB 3.28Å; L332-A335 WeakPolarHBondContact O-CB 3.43Å; L332-A335 PolarHBondContact O-N 3.2Å; A335-Q337 VanDerWaalsContact C-N 3.33Å; A335-Q337 PolarHBondContact O-N 2.77Å; A335-A338 PolarHBondContact O-N 3.34Å; A335-A338 VanDerWaalsContact O-N 3.15Å; A335-F339 VanDerWaalsContact O-CD2 3.27Å; A335-F339 WeakPolarHBondContact O-CD2 3.36Å; A335-F339 PolarHBondContact O-N 2.93Å; A335-L352 HydrophobicContact CB-CD1 4.05Å; A335-L352 HydrophobicContact CB-CD2 4.33Å |
| 336 | G | 97.9 | Very high | 97 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 42% | 0.423 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q334 E340 | Q334-G336 PolarHBondContact O-N 3.32Å; Q334-G336 VanDerWaalsContact O-N 3.17Å; G336-E340 PolarHBondContact O-N 2.91Å; G336-E340 VanDerWaalsContact O-N 3.07Å |
| 337 | Q | 98.3 | Very high | 96.5 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 176.7 | -176.3 | 177.8 | -1.7 | 0 | 0 | 111.9 | F330 Q334 A335 E340 T341 | F330-Q337 HydrophobicContact CD1-CG 4.45Å; F330-Q337 HydrophobicContact CE1-CG 3.82Å; F330-Q337 HydrophobicContact CZ-CG 4.24Å; Q334-Q337 PolarHBondContact O-N 3.01Å; A335-Q337 VanDerWaalsContact C-N 3.33Å; A335-Q337 PolarHBondContact O-N 2.77Å; Q337-E340 PolarHBondContact O-N 3.15Å; Q337-T341 WeakPolarHBondContact O-CB 3.48Å; Q337-T341 PolarHBondContact O-N 2.89Å; Q337-T341 PolarHBondContact O-OG1 3.28Å |
| 338 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I47 F330 Q334 A335 T341 T342 V350 L352 | I47-A338 HydrophobicContact CD1-CB 3.56Å; F330-A338 HydrophobicContact CB-CB 4.05Å; F330-A338 HydrophobicContact CD2-CB 3.5Å; F330-A338 HydrophobicContact CE2-CB 4.12Å; F330-A338 HydrophobicContact CG-CB 3.89Å; Q334-A338 PolarHBondContact O-N 3.1Å; A335-A338 PolarHBondContact O-N 3.34Å; A335-A338 VanDerWaalsContact O-N 3.15Å; A338-T341 PolarHBondContact O-N 2.78Å; A338-T342 PolarHBondContact O-N 3.48Å; A338-T342 PolarHBondContact O-OG1 3.26Å; A338-V350 HydrophobicContact CB-CG1 3.89Å; A338-L352 HydrophobicContact CB-CD1 4.27Å; A338-L352 HydrophobicContact CB-CD2 3.75Å; A338-L352 HydrophobicContact CB-CG 4.03Å |
| 339 | F | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | 174.2 | -90.1 | -106.3 | 0 | 0 | 0 | 111.7 | V15 L23 I47 D51 V52 W55 L71 L132 A335 T341 T342 R343 L352 | V15-F339 HydrophobicContact CG1-CE2 4.28Å; L23-F339 HydrophobicContact CD2-CB 4.15Å; L23-F339 HydrophobicContact CD2-CD1 3.93Å; L23-F339 HydrophobicContact CD2-CD2 3.9Å; L23-F339 HydrophobicContact CD2-CE1 4.32Å; L23-F339 HydrophobicContact CD2-CE2 4.28Å; L23-F339 HydrophobicContact CD2-CG 3.71Å; L23-F339 HydrophobicContact CD2-CZ 4.48Å; I47-F339 HydrophobicContact CD1-CD2 3.72Å; I47-F339 HydrophobicContact CD1-CE2 3.92Å; I47-F339 HydrophobicContact CD1-CG 4.45Å; I47-F339 HydrophobicContact CG1-CE2 4.24Å; I47-F339 HydrophobicContact CG2-CE1 4.43Å; I47-F339 HydrophobicContact CG2-CE2 4.43Å; I47-F339 HydrophobicContact CG2-CZ 4.32Å; D51-F339 HydrophobicContact CB-CE1 3.87Å; D51-F339 HydrophobicContact CB-CZ 3.98Å; V52-F339 HydrophobicContact CG2-CD1 4.17Å; W55-F339 HydrophobicContact CB-CD1 4.49Å; W55-F339 HydrophobicContact CD2-CD1 4.41Å; W55-F339 HydrophobicContact CE3-CB 4.19Å; W55-F339 AromaticContact CE3-CD1 3.97Å; W55-F339 HydrophobicContact CE3-CD1 3.97Å; W55-F339 HydrophobicContact CH2-CB 4.47Å; W55-F339 HydrophobicContact CZ3-CB 3.94Å; L71-F339 HydrophobicContact CB-CZ 4.29Å; L71-F339 HydrophobicContact CD1-CE1 3.5Å; L71-F339 HydrophobicContact CD1-CZ 3.49Å; L71-F339 VanDerWaalsContact CD1-CZ 3.49Å; L132-F339 HydrophobicContact CD2-CE2 3.8Å; L132-F339 HydrophobicContact CD2-CZ 4.22Å; A335-F339 VanDerWaalsContact O-CD2 3.27Å; A335-F339 WeakPolarHBondContact O-CD2 3.36Å; A335-F339 PolarHBondContact O-N 2.93Å; F339-T341 PolarHBondContact O-N 2.95Å; F339-T342 PolarHBondContact O-N 2.98Å; F339-R343 VanDerWaalsContact O-CB 3.32Å; F339-R343 WeakPolarHBondContact O-CB 3.27Å; F339-R343 PolarHBondContact O-N 2.98Å; F339-L352 HydrophobicContact CE2-CD1 4.31Å |
| 340 | E | 98 | Very high | 96.4 | Very high | 64 Ų | 64 | 42.6 Ų | 42.6 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 173.8 | -81.1 | -65.8 | 166.2 | 0 | 0 | 112.4 | W55 G336 Q337 T342 R343 Q344 | W55-E340 HydrophobicContact CH2-CG 4.08Å; W55-E340 VanDerWaalsContact CH2-OE1 3.27Å; W55-E340 WeakPolarHBondContact CH2-OE1 3.35Å; G336-E340 PolarHBondContact O-N 2.91Å; G336-E340 VanDerWaalsContact O-N 3.07Å; Q337-E340 PolarHBondContact O-N 3.15Å; E340-T342 VanDerWaalsContact C-N 3.31Å; E340-T342 PolarHBondContact O-N 2.78Å; E340-R343 PolarHBondContact O-N 2.79Å; E340-R343 IonicContact OE1-NE 3.4Å; E340-R343 IonicContact OE1-NH2 3.66Å; E340-R343 IonicContact OE2-CZ 3.76Å; E340-R343 IonicContact OE2-NE 3.77Å; E340-R343 PolarHBondContact OE2-NE 2.97Å; E340-R343 IonicContact OE2-NH2 3.87Å; E340-R343 PolarHBondContact OE2-NH2 2.8Å; E340-Q344 WeakPolarHBondContact O-CB 3.48Å; E340-Q344 VanDerWaalsContact O-CG 3.24Å; E340-Q344 WeakPolarHBondContact O-CG 3.4Å; E340-Q344 PolarHBondContact O-N 2.82Å; E340-Q344 PolarHBondContact OE2-NE2 2.87Å |
| 341 | T | 97.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 9% | 0.086 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | F330 Q337 A338 F339 G345 L346 V350 | F330-T341 HydrophobicContact CE2-CG2 4.36Å; Q337-T341 WeakPolarHBondContact O-CB 3.48Å; Q337-T341 PolarHBondContact O-N 2.89Å; Q337-T341 PolarHBondContact O-OG1 3.28Å; A338-T341 PolarHBondContact O-N 2.78Å; F339-T341 PolarHBondContact O-N 2.95Å; T341-G345 PolarHBondContact O-N 3.21Å; T341-L346 HydrophobicContact CG2-CB 3.94Å; T341-L346 PolarHBondContact O-N 2.96Å; T341-L346 VanDerWaalsContact O-N 3.13Å; T341-V350 HydrophobicContact CG2-CG2 4.09Å |
| 342 | T | 96.1 | Very high | 96.4 | Very high | 33 Ų | 33 | 40 Ų | 40 | 20% | 0.202 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -45.2 | 177.6 | -52.1 | 0 | 0 | 0 | 0 | 111.4 | I47 V52 A338 F339 E340 Q344 G345 V350 | I47-T342 HydrophobicContact CG2-CG2 4Å; V52-T342 HydrophobicContact CG2-CG2 3.72Å; A338-T342 PolarHBondContact O-N 3.48Å; A338-T342 PolarHBondContact O-OG1 3.26Å; F339-T342 PolarHBondContact O-N 2.98Å; E340-T342 VanDerWaalsContact C-N 3.31Å; E340-T342 PolarHBondContact O-N 2.78Å; T342-Q344 VanDerWaalsContact C-N 3.3Å; T342-Q344 PolarHBondContact O-N 3.05Å; T342-G345 PolarHBondContact O-N 2.75Å; T342-V350 VanDerWaalsContact OG1-CG2 3.31Å; T342-V350 WeakPolarHBondContact OG1-CG2 3.31Å |
| 343 | R | 95.3 | Very high | 96.4 | Very high | 105 Ų | 105 | 40.1 Ų | 40.1 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -37.4 | 179.6 | -171.4 | -170.1 | 69.5 | 76.7 | -2.9 | 112.6 | V52 W55 F339 E340 G345 | V52-R343 HydrophobicContact CG1-CB 3.89Å; V52-R343 HydrophobicContact CG1-CG 4Å; W55-R343 HydrophobicContact CZ3-CB 4.21Å; W55-R343 HydrophobicContact CZ3-CG 4.43Å; F339-R343 VanDerWaalsContact O-CB 3.32Å; F339-R343 WeakPolarHBondContact O-CB 3.27Å; F339-R343 PolarHBondContact O-N 2.98Å; E340-R343 PolarHBondContact O-N 2.79Å; E340-R343 IonicContact OE1-NE 3.4Å; E340-R343 IonicContact OE1-NH2 3.66Å; E340-R343 IonicContact OE2-CZ 3.76Å; E340-R343 IonicContact OE2-NE 3.77Å; E340-R343 PolarHBondContact OE2-NE 2.97Å; E340-R343 IonicContact OE2-NH2 3.87Å; E340-R343 PolarHBondContact OE2-NH2 2.8Å; R343-G345 PolarHBondContact O-N 2.86Å |
| 344 | Q | 93.9 | Very high | 96.4 | Very high | 110 Ų | 110 | 36 Ų | 36 | 51% | 0.514 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -6.3 | 177.8 | -67.8 | 172.4 | 15.9 | 0 | 0 | 112.8 | E340 T342 L346 | E340-Q344 WeakPolarHBondContact O-CB 3.48Å; E340-Q344 VanDerWaalsContact O-CG 3.24Å; E340-Q344 WeakPolarHBondContact O-CG 3.4Å; E340-Q344 PolarHBondContact O-N 2.82Å; E340-Q344 PolarHBondContact OE2-NE2 2.87Å; T342-Q344 VanDerWaalsContact C-N 3.3Å; T342-Q344 PolarHBondContact O-N 3.05Å; Q344-L346 VanDerWaalsContact C-N 3.25Å; Q344-L346 HydrophobicContact CB-CD1 4.18Å; Q344-L346 HydrophobicContact CB-CG 3.89Å; Q344-L346 PolarHBondContact O-N 2.77Å |
| 345 | G | 89.8 | Confident | 96.4 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 37% | 0.371 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 21.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T341 T342 R343 G347 | T341-G345 PolarHBondContact O-N 3.21Å; T342-G345 PolarHBondContact O-N 2.75Å; R343-G345 PolarHBondContact O-N 2.86Å; G345-G347 PolarHBondContact O-N 2.75Å |
| 346 | L | 88.9 | Confident | 96.2 | Very high | 91 Ų | 91 | 37.8 Ų | 37.8 | 48% | 0.476 | 21% | 0.206 | S | C | . | . | trans | -78.2 | 107.9 | 179.1 | -62.4 | 178.9 | 0 | 0 | 0 | 109.9 | H328 T341 Q344 | H328-L346 PolarHBondContact CE1-O 2.63Å; H328-L346 PolarHBondContact ND1-O 3.4Å; T341-L346 HydrophobicContact CG2-CB 3.94Å; T341-L346 PolarHBondContact O-N 2.96Å; T341-L346 VanDerWaalsContact O-N 3.13Å; Q344-L346 VanDerWaalsContact C-N 3.25Å; Q344-L346 HydrophobicContact CB-CD1 4.18Å; Q344-L346 HydrophobicContact CB-CG 3.89Å; Q344-L346 PolarHBondContact O-N 2.77Å | ||
| 347 | G | 89.5 | Confident | 96.1 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 32% | 0.32 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 87 | -157.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T327 G345 | T327-G347 WeakPolarHBondContact OG1-CA 3.39Å; G345-G347 PolarHBondContact O-N 2.75Å |
| 348 | I | 95 | Very high | 96.1 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -120.1 | -70.8 | -173.5 | -62.9 | -64.2 | 0 | 0 | 0 | 110.5 | P186 L189 R212 M215 L325 T327 | P186-I348 HydrophobicContact CB-CG2 4.36Å; P186-I348 HydrophobicContact CG-CG2 3.95Å; P186-I348 VanDerWaalsContact CG-O 3.26Å; P186-I348 WeakPolarHBondContact CG-O 3.38Å; L189-I348 HydrophobicContact CD1-CD1 4.05Å; L189-I348 HydrophobicContact CD1-CG1 4.32Å; L189-I348 HydrophobicContact CD1-CG2 3.82Å; R212-I348 HydrophobicContact CG-CD1 4.04Å; M215-I348 HydrophobicContact CE-CG1 3.75Å; M215-I348 HydrophobicContact SD-CB 4.38Å; M215-I348 HydrophobicContact SD-CD1 4.43Å; M215-I348 HydrophobicContact SD-CG1 3.66Å; M215-I348 HydrophobicContact SD-CG2 4.45Å; L325-I348 HydrophobicContact CB-CG2 4.31Å; L325-I348 HydrophobicContact CD2-CG2 4.17Å; L325-I348 WeakPolarHBondContact O-CB 3.42Å; T327-I348 HydrophobicContact CG2-CB 4Å; T327-I348 HydrophobicContact CG2-CG1 4.19Å; T327-I348 PolarHBondContact OG1-N 3.31Å |
| 349 | K | 98.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.1 | 174.6 | -176.3 | 60.1 | 57.4 | 173.5 | 0 | 110.2 | I47 E74 L157 L325 T327 H328 M351 | I47-K349 PolarHBondContact O-NZ 3.49Å; E74-K349 IonicContact OE1-NZ 2.82Å; E74-K349 PolarHBondContact OE1-NZ 2.66Å; E74-K349 VanDerWaalsContact OE2-CE 3.31Å; E74-K349 WeakPolarHBondContact OE2-CE 3.1Å; E74-K349 IonicContact OE2-NZ 2.9Å; E74-K349 PolarHBondContact OE2-NZ 2.74Å; L157-K349 HydrophobicContact CD2-CB 4.45Å; L157-K349 HydrophobicContact CD2-CG 3.87Å; L325-K349 HydrophobicContact CB-CB 4.46Å; L325-K349 WeakPolarHBondContact O-CA 3.18Å; L325-K349 WeakPolarHBondContact O-CB 3.15Å; L325-K349 PolarHBondContact O-N 3.17Å; T327-K349 PolarHBondContact N-O 2.94Å; T327-K349 PolarHBondContact OG1-O 3.38Å; H328-K349 PolarHBondContact N-O 2.75Å; K349-M351 HydrophobicContact CD-CE 3.6Å; K349-M351 HydrophobicContact CG-CE 3.27Å |
| 350 | V | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 126.2 | 172.8 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | I47 H328 F330 A338 T341 T342 | I47-V350 HydrophobicContact CD1-CB 4.38Å; I47-V350 HydrophobicContact CD1-CG1 4.07Å; I47-V350 PolarHBondContact N-O 3.35Å; H328-V350 HydrophobicContact CB-CG1 4.22Å; H328-V350 HydrophobicContact CB-CG2 4.19Å; F330-V350 HydrophobicContact CD2-CG1 3.61Å; F330-V350 HydrophobicContact CE2-CG1 3.72Å; A338-V350 HydrophobicContact CB-CG1 3.89Å; T341-V350 HydrophobicContact CG2-CG2 4.09Å; T342-V350 VanDerWaalsContact OG1-CG2 3.31Å; T342-V350 WeakPolarHBondContact OG1-CG2 3.31Å |
| 351 | M | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.2 | 177.1 | -77.2 | -67.6 | 127.7 | 0 | 0 | 111 | E153 A156 L157 V326 H328 R329 F330 K349 | E153-M351 HydrophobicContact CG-CG 3.98Å; E153-M351 HydrophobicContact CG-SD 4.28Å; A156-M351 HydrophobicContact CB-CE 4.48Å; A156-M351 HydrophobicContact CB-SD 4.11Å; L157-M351 HydrophobicContact CD2-CE 4.27Å; L157-M351 HydrophobicContact CG-CE 4.5Å; V326-M351 HydrophobicContact CB-CG 4.49Å; V326-M351 HydrophobicContact CG1-CB 4.11Å; V326-M351 HydrophobicContact CG1-CG 3.58Å; V326-M351 HydrophobicContact CG2-CG 4.06Å; H328-M351 PolarHBondContact O-N 2.91Å; R329-M351 CarbonylContact C-O 3.5Å; R329-M351 VanDerWaalsContact CA-O 3.32Å; R329-M351 WeakPolarHBondContact CA-O 3.31Å; R329-M351 HydrophobicContact CG-CB 4.21Å; F330-M351 PolarHBondContact N-O 3.34Å; K349-M351 HydrophobicContact CD-CE 3.6Å; K349-M351 HydrophobicContact CG-CE 3.27Å |
| 352 | L | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.6 | 165.9 | -79.6 | 166.6 | 0 | 0 | 0 | 110.2 | S44 V45 I47 L132 F330 P331 A335 A338 F339 | S44-L352 WeakPolarHBondContact CA-O 3.48Å; V45-L352 PolarHBondContact N-O 3.2Å; V45-L352 PolarHBondContact O-N 3.14Å; I47-L352 HydrophobicContact CD1-CD1 3.76Å; I47-L352 HydrophobicContact CD1-CG 4.18Å; I47-L352 HydrophobicContact CG1-CD1 3.97Å; I47-L352 HydrophobicContact CG1-CG 4.43Å; L132-L352 HydrophobicContact CD1-CB 3.82Å; L132-L352 HydrophobicContact CD1-CD1 3.61Å; L132-L352 HydrophobicContact CD1-CG 4.35Å; L132-L352 HydrophobicContact CD2-CD1 3.63Å; L132-L352 HydrophobicContact CG-CD1 4.11Å; F330-L352 HydrophobicContact CB-CD2 3.84Å; F330-L352 CarbonylContact O-C 3.49Å; F330-L352 VanDerWaalsContact O-CA 3.3Å; F330-L352 WeakPolarHBondContact O-CA 3.4Å; P331-L352 WeakPolarHBondContact O-CD2 3.19Å; A335-L352 HydrophobicContact CB-CD1 4.05Å; A335-L352 HydrophobicContact CB-CD2 4.33Å; A338-L352 HydrophobicContact CB-CD1 4.27Å; A338-L352 HydrophobicContact CB-CD2 3.75Å; A338-L352 HydrophobicContact CB-CG 4.03Å; F339-L352 HydrophobicContact CE2-CD1 4.31Å |
| 353 | K | 98.8 | Very high | 96 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.8 | -177.8 | -50.1 | -55.3 | -67.6 | -168.6 | 0 | 109.5 | H43 S44 E153 F330 L332 Q359 N360 | H43-K353 CarbonylContact O-C 3.31Å; H43-K353 WeakPolarHBondContact O-CA 3.15Å; S44-K353 PolarHBondContact OG-NZ 3.46Å; E153-K353 IonicContact OE1-NZ 3.21Å; E153-K353 PolarHBondContact OE1-NZ 2.84Å; F330-K353 PolarHBondContact O-N 2.67Å; L332-K353 PolarHBondContact N-O 2.82Å; K353-Q359 VanDerWaalsContact CB-OE1 3.22Å; K353-Q359 WeakPolarHBondContact CE-O 3.24Å; K353-Q359 PolarHBondContact O-NE2 3.41Å; K353-N360 WeakPolarHBondContact CE-O 3.4Å; K353-N360 PolarHBondContact NZ-O 3.36Å |
| 354 | C | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | trans | -90.4 | -16.5 | -172.4 | -66.6 | 0 | 0 | 0 | 0 | 114.1 | M42 H43 C133 R134 | M42-C354 HydrophobicContact CB-CB 3.66Å; M42-C354 CarbonylContact O-C 3.59Å; M42-C354 VanDerWaalsContact O-C 3.31Å; M42-C354 VanDerWaalsContact O-CB 3.26Å; M42-C354 WeakPolarHBondContact O-CB 3.35Å; H43-C354 PolarHBondContact O-N 3.46Å; C133-C354 WeakPolarHBondContact O-CB 3.11Å; C133-C354 PolarHBondContact O-SG 2.93Å; C133-C354 VanDerWaalsContact O-SG 3.37Å; R134-C354 WeakPolarHBondContact CD-O 3.38Å; R134-C354 VanDerWaalsContact NH1-C 3.34Å; R134-C354 PolarHBondContact NH1-O 3.25Å | ||
| 355 | D | 97.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.064 | 25% | 0.25 | C | C | . | . | trans | -92.3 | 111.1 | 177.2 | -172.5 | -16.2 | 0 | 0 | 0 | 110.1 | M42 N357 D358 Q359 | M42-D355 PolarHBondContact O-N 3.36Å; D355-N357 PolarHBondContact O-N 3.09Å; D355-N357 VanDerWaalsContact O-N 3.1Å; D355-N357 WeakPolarHBondContact OD1-CB 3.32Å; D355-N357 PolarHBondContact OD1-N 3.17Å; D355-D358 CarbonylContact O-C 3.53Å; D355-D358 PolarHBondContact O-N 3.49Å; D355-Q359 PolarHBondContact O-NE2 2.91Å | ||
| 356 | K | 94.1 | Very high | 96.6 | Very high | 113 Ų | 113 | 44.7 Ų | 44.7 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.6 | -179.9 | -65.4 | -174.5 | 178.8 | 177.2 | 0 | 112.8 | R134 E333 | R134-K356 VanDerWaalsContact CZ-CE 3.5Å; R134-K356 VanDerWaalsContact NH1-CG 3.32Å; R134-K356 VanDerWaalsContact NH2-CE 3.26Å; E333-K356 VanDerWaalsContact OE1-CE 3.31Å; E333-K356 WeakPolarHBondContact OE1-CE 3.46Å |
| 357 | N | 95.4 | Very high | 97.1 | Very high | 138 Ų | 138 | 41.6 Ų | 41.6 | 74% | 0.738 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -15.6 | -175.1 | -55.4 | -50.8 | 0 | 0 | 0 | 112.8 | D355 | D355-N357 PolarHBondContact O-N 3.09Å; D355-N357 VanDerWaalsContact O-N 3.1Å; D355-N357 WeakPolarHBondContact OD1-CB 3.32Å; D355-N357 PolarHBondContact OD1-N 3.17Å |
| 358 | D | 97.7 | Very high | 97.6 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | trans | -138.7 | 105.5 | 176.9 | -167 | 2.8 | 0 | 0 | 0 | 110.9 | H43 D355 N360 | H43-D358 VanDerWaalsContact NE2-CG 3.3Å; H43-D358 PolarHBondContact NE2-O 3.39Å; H43-D358 IonicContact NE2-OD1 2.93Å; H43-D358 IonicContact NE2-OD2 2.84Å; H43-D358 PolarHBondContact NE2-OD2 2.97Å; D355-D358 CarbonylContact O-C 3.53Å; D355-D358 PolarHBondContact O-N 3.49Å; D358-N360 WeakPolarHBondContact OD1-CB 3.46Å; D358-N360 PolarHBondContact OD1-N 2.76Å; D358-N360 VanDerWaalsContact OD1-N 3.16Å; D358-N360 PolarHBondContact OD1-ND2 3.46Å | ||
| 359 | Q | 98.3 | Very high | 97.8 | Very high | 76 Ų | 76 | 43.9 Ų | 43.9 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | trans | -103.1 | 4.4 | 179.7 | -64.7 | -73.3 | -66.2 | 0 | 0 | 112.1 | K353 D355 | K353-Q359 VanDerWaalsContact CB-OE1 3.22Å; K353-Q359 WeakPolarHBondContact CE-O 3.24Å; K353-Q359 PolarHBondContact O-NE2 3.41Å; D355-Q359 PolarHBondContact O-NE2 2.91Å | ||
| 360 | N | 98.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 47.1 Ų | 47.1 | 58% | 0.583 | 25% | 0.245 | S | C | * | . | trans | -74.6 | 166.6 | -178.9 | -61.5 | -64.3 | 0 | 0 | 0 | 111.8 | H43 K353 D358 | H43-N360 PolarHBondContact CE1-O 2.85Å; H43-N360 VanDerWaalsContact CE1-O 3.24Å; K353-N360 WeakPolarHBondContact CE-O 3.4Å; K353-N360 PolarHBondContact NZ-O 3.36Å; D358-N360 WeakPolarHBondContact OD1-CB 3.46Å; D358-N360 PolarHBondContact OD1-N 2.76Å; D358-N360 VanDerWaalsContact OD1-N 3.16Å; D358-N360 PolarHBondContact OD1-ND2 3.46Å | ||
| 361 | P | 97.8 | Very high | 97.7 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | trans | -57.3 | 0 | 177.8 | -28.4 | 37.6 | 0 | 0 | 0 | 116.3 | T151 F152 E153 | T151-P361 WeakPolarHBondContact CB-O 3.43Å; T151-P361 VanDerWaalsContact CB-OXT 3.3Å; T151-P361 WeakPolarHBondContact CB-OXT 3.27Å; T151-P361 PolarHBondContact OG1-OXT 2.77Å; F152-P361 PolarHBondContact N-OXT 2.7Å; F152-P361 VanDerWaalsContact N-OXT 3.17Å; E153-P361 VanDerWaalsContact CB-OXT 3.23Å; E153-P361 WeakPolarHBondContact CB-OXT 3.15Å; E153-P361 HydrophobicContact CG-CB 4.46Å; E153-P361 VanDerWaalsContact CG-OXT 3.22Å; E153-P361 WeakPolarHBondContact CG-OXT 3.23Å; E153-P361 PolarHBondContact N-OXT 3.48Å |
Retrieved 361 of 361 residues in 460.7 ms
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