| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.5 | Very low | 30.9 | Very low | 242 Ų | 242 | 133.1 Ų | 133.1 | 100% | 1.192 | 79% | 0.793 | S | S | * | * | 0 | 125.9 | 0 | -77.2 | -88.9 | -92.5 | 0 | 0 | 106.5 | |||||
| 2 | A | 31.4 | Very low | 32.4 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | -40.2 | 127.3 | -153.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | V4 | A2-V4 PolarHBondContact O-N 2.64Š| ||
| 3 | G | 26.5 | Very low | 33 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | -64 | 130.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L5 | G3-L5 PolarHBondContact O-N 2.83Š| ||
| 4 | V | 28.1 | Very low | 33.4 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | -62.1 | 106.5 | 170 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | A2 A6 | A2-V4 PolarHBondContact O-N 2.64Å; V4-A6 VanDerWaalsContact C-N 3.32Å; V4-A6 PolarHBondContact O-N 3.43Å | ||
| 5 | L | 29.3 | Very low | 34.1 | Very low | 166 Ų | 166 | 120.7 Ų | 120.7 | 87% | 0.869 | 69% | 0.693 | S | S | * | * | trans | -60.3 | 100.8 | 163.8 | -86.4 | 154.3 | 0 | 0 | 0 | 106.4 | G3 A7 | G3-L5 PolarHBondContact O-N 2.83Å; L5-A7 PolarHBondContact O-N 3.3Å; L5-A7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | A | 26.7 | Very low | 34.3 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | trans | -47.2 | 123.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | V4 K8 | V4-A6 VanDerWaalsContact C-N 3.32Å; V4-A6 PolarHBondContact O-N 3.43Å; A6-K8 PolarHBondContact O-N 3.26Å | ||
| 7 | A | 29.3 | Very low | 35.2 | Very low | 94 Ų | 94 | 117.4 Ų | 117.4 | 78% | 0.777 | 67% | 0.67 | S | S | * | * | trans | -48.7 | 114.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | L5 M9 | L5-A7 PolarHBondContact O-N 3.3Å; L5-A7 VanDerWaalsContact O-N 3.15Å; A7-M9 PolarHBondContact O-N 3.47Å | ||
| 8 | K | 31.1 | Very low | 35.2 | Very low | 206 Ų | 206 | 113.1 Ų | 113.1 | 90% | 0.896 | 65% | 0.65 | S | S | * | * | trans | -54.8 | 109 | 175.7 | -87.9 | -177.7 | 172.5 | -178.2 | 0 | 106.8 | A6 Y10 | A6-K8 PolarHBondContact O-N 3.26Å; K8-Y10 PolarHBondContact O-N 2.98Å | ||
| 9 | M | 29.2 | Very low | 35.3 | Very low | 174 Ų | 174 | 113.9 Ų | 113.9 | 86% | 0.857 | 65% | 0.652 | S | S | * | * | trans | -53.9 | 113.2 | 169.5 | -83.9 | 172.1 | 66 | 0 | 0 | 108.1 | A7 | A7-M9 PolarHBondContact O-N 3.47Š| ||
| 10 | Y | 36.9 | Very low | 35.7 | Very low | 92 Ų | 92 | 112.6 Ų | 112.6 | 36% | 0.361 | 64% | 0.638 | S | S | . | * | trans | 25.9 | 97.2 | 149.9 | -70.1 | -72.8 | 0 | 0 | 0 | 116.5 | K8 W12 V265 | K8-Y10 PolarHBondContact O-N 2.98Å; Y10-W12 AromaticContact CD1-CD1 3.78Å; Y10-W12 AromaticContact CD1-NE1 3.81Å; Y10-W12 AromaticContact CG-NE1 3.94Å; Y10-V265 HydrophobicContact CE2-CG2 4.35Å | ||
| 11 | S | 40.1 | Very low | 36.2 | Very low | 95 Ų | 95 | 108.5 Ų | 108.5 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | trans | -111 | 43.8 | 176.1 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | K13 | S11-K13 VanDerWaalsContact C-N 3.34Š| ||
| 12 | W | 48.9 | Very low | 37 | Very low | 38 Ų | 38 | 98.7 Ų | 98.7 | 14% | 0.144 | 58% | 0.576 | C | S | . | * | trans | -88.8 | -5.8 | 174.9 | 55.2 | -88.6 | 0 | 0 | 0 | 112.7 | Y10 D14 T15 Y106 H334 Q338 P343 F344 | Y10-W12 AromaticContact CD1-CD1 3.78Å; Y10-W12 AromaticContact CD1-NE1 3.81Å; Y10-W12 AromaticContact CG-NE1 3.94Å; W12-D14 PolarHBondContact O-N 3.31Å; W12-T15 PolarHBondContact O-OG1 3.04Å; W12-Y106 WeakPolarHBondContact CA-OH 3.25Å; W12-Y106 HydrophobicContact CB-CE1 4.41Å; W12-Y106 WeakPolarHBondContact CB-OH 3.3Å; W12-Y106 PolarHBondContact O-OH 2.89Å; W12-H334 AromaticContact CE3-CE1 3.53Å; W12-H334 AromaticContact CE3-NE2 3.61Å; W12-H334 AromaticContact CZ3-CE1 3.3Å; W12-H334 WeakPolarHBondContact CZ3-CE1 3.32Å; W12-H334 AromaticContact CZ3-NE2 3.61Å; W12-Q338 VanDerWaalsContact CZ2-OE1 3.3Å; W12-Q338 HydrophobicContact CZ3-CG 4.39Å; W12-P343 HydrophobicContact CH2-CB 3.8Å; W12-P343 HydrophobicContact CZ2-CB 3.97Å; W12-P343 HydrophobicContact CZ2-CG 4.46Å; W12-F344 HydrophobicContact CH2-CD1 4.39Å; W12-F344 HydrophobicContact CH2-CE1 4.24Å; W12-F344 HydrophobicContact CZ2-CD1 4.12Å; W12-F344 AromaticContact CZ2-CE1 3.54Å; W12-F344 HydrophobicContact CZ2-CE1 3.54Å; W12-F344 HydrophobicContact CZ2-CZ 4.21Å | ||
| 13 | K | 39.8 | Very low | 38.2 | Very low | 146 Ų | 146 | 99.2 Ų | 99.2 | 64% | 0.635 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -14.5 | 179 | -67.5 | -175.3 | 175.2 | -175.1 | 0 | 114.4 | S11 | S11-K13 VanDerWaalsContact C-N 3.34Š|
| 14 | D | 39.2 | Very low | 39.6 | Very low | 128 Ų | 128 | 101.9 Ų | 101.9 | 68% | 0.684 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 7.9 | -169.6 | -60.7 | -37.7 | 0 | 0 | 0 | 114.2 | W12 N16 | W12-D14 PolarHBondContact O-N 3.31Å; D14-N16 PolarHBondContact O-N 3.38Å |
| 15 | T | 43.3 | Very low | 41.2 | Very low | 35 Ų | 35 | 98.6 Ų | 98.6 | 22% | 0.215 | 54% | 0.536 | C | S | . | . | trans | -76.7 | 112.4 | 174.3 | 42.1 | 0 | 0 | 0 | 0 | 111.4 | W12 L17 A103 Y106 | W12-T15 PolarHBondContact O-OG1 3.04Å; T15-L17 PolarHBondContact O-N 2.77Å; T15-A103 HydrophobicContact CG2-CB 3.96Å; T15-Y106 WeakPolarHBondContact CB-OH 3.44Å; T15-Y106 HydrophobicContact CG2-CE1 4.27Å; T15-Y106 HydrophobicContact CG2-CE2 3.69Å; T15-Y106 WeakPolarHBondContact CG2-OH 3.37Å; T15-Y106 VanDerWaalsContact OG1-CE2 3.31Å; T15-Y106 WeakPolarHBondContact OG1-CE2 3.45Å; T15-Y106 PolarHBondContact OG1-OH 3.1Å | ||
| 16 | N | 38.1 | Very low | 42.8 | Very low | 145 Ų | 145 | 96.3 Ų | 96.3 | 78% | 0.775 | 52% | 0.516 | S | S | * | . | trans | -61.3 | 82.2 | 165.8 | -78.2 | -23.2 | 0 | 0 | 0 | 110.3 | D14 | D14-N16 PolarHBondContact O-N 3.38Š| ||
| 17 | L | 48.4 | Very low | 44.7 | Very low | 40 Ų | 40 | 95.4 Ų | 95.4 | 21% | 0.209 | 51% | 0.509 | C | S | . | . | trans | -73 | -16.9 | 162.6 | -76.3 | 166 | 0 | 0 | 0 | 111.5 | T15 L19 A110 S331 H334 | T15-L17 PolarHBondContact O-N 2.77Å; L17-L19 PolarHBondContact O-N 2.93Å; L17-A110 HydrophobicContact CD2-CB 3.62Å; L17-S331 WeakPolarHBondContact CB-OG 3.42Å; L17-S331 PolarHBondContact O-OG 2.69Å; L17-H334 HydrophobicContact CD1-CB 4.26Å | ||
| 18 | A | 35.9 | Very low | 46.7 | Very low | 39 Ų | 39 | 94.8 Ų | 94.8 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | trans | -78 | 111.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 19 | L | 36.1 | Very low | 48.5 | Very low | 129 Ų | 129 | 86.1 Ų | 86.1 | 68% | 0.675 | 46% | 0.458 | S | S | * | . | trans | -177.9 | 41.7 | 156.2 | -106.1 | 178 | 0 | 0 | 0 | 116.4 | L17 | L17-L19 PolarHBondContact O-N 2.93Š| ||
| 20 | F | 45.2 | Very low | 50.8 | Low | 87 Ų | 87 | 81.3 Ų | 81.3 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | trans | -147.7 | 130.8 | 174.7 | -58.7 | -77 | 0 | 0 | 0 | 113.2 | E25 K29 Y111 L327 | F20-E25 WeakPolarHBondContact CA-OE2 3.42Å; F20-K29 VanDerWaalsContact CG-NZ 3.26Å; F20-Y111 HydrophobicContact CE1-CE2 4.34Å; F20-Y111 HydrophobicContact CE2-CD2 4.14Å; F20-Y111 HydrophobicContact CE2-CE2 4.34Å; F20-Y111 HydrophobicContact CZ-CD2 4.16Å; F20-Y111 AromaticContact CZ-CE2 3.99Å; F20-Y111 HydrophobicContact CZ-CE2 3.99Å; F20-L327 VanDerWaalsContact O-CD2 3.32Å; F20-L327 WeakPolarHBondContact O-CD2 3.42Å | ||
| 21 | G | 44.6 | Very low | 52.9 | Low | 28 Ų | 28 | 81.9 Ų | 81.9 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | trans | -175.4 | 14.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | E25 R323 L327 | G21-E25 PolarHBondContact N-OE2 3.46Å; G21-R323 PolarHBondContact O-NE 2.68Å; G21-R323 PolarHBondContact O-NH2 3.11Å; G21-L327 WeakPolarHBondContact O-CD1 3.2Å | ||
| 22 | S | 49.8 | Very low | 54.8 | Low | 35 Ų | 35 | 79.5 Ų | 79.5 | 25% | 0.245 | 42% | 0.421 | C | S | . | . | trans | -98.5 | 159 | 170.5 | 72.4 | 0 | 0 | 0 | 0 | 113.8 | I24 E25 R26 R323 | S22-I24 PolarHBondContact O-N 3.46Å; S22-E25 WeakPolarHBondContact CB-OE1 3.25Å; S22-E25 PolarHBondContact N-OE2 3.35Å; S22-E25 WeakPolarHBondContact O-CA 3.18Å; S22-E25 WeakPolarHBondContact O-CB 3.39Å; S22-E25 PolarHBondContact O-N 3.3Å; S22-E25 WeakPolarHBondContact OG-CB 3.47Å; S22-E25 VanDerWaalsContact OG-CG 3.25Å; S22-E25 WeakPolarHBondContact OG-CG 3.43Å; S22-E25 PolarHBondContact OG-N 2.81Å; S22-E25 VanDerWaalsContact OG-N 3.1Å; S22-E25 PolarHBondContact OG-OE1 3.3Å; S22-R26 PolarHBondContact O-N 2.86Å; S22-R323 PolarHBondContact O-NH1 3.01Å | ||
| 23 | D | 55.5 | Low | 56.3 | Low | 113 Ų | 113 | 77.7 Ų | 77.7 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.9 | -32.5 | 178.7 | -77.6 | -32.3 | 0 | 0 | 0 | 110.4 | E25 R26 A27 R323 | D23-E25 VanDerWaalsContact C-N 3.33Å; D23-R26 PolarHBondContact O-N 3.07Å; D23-A27 PolarHBondContact O-N 3.25Å; D23-R323 VanDerWaalsContact CA-NH1 3.28Å; D23-R323 VanDerWaalsContact CG-NH1 3.34Å; D23-R323 IonicContact OD1-CZ 3.97Å; D23-R323 IonicContact OD1-NH1 2.69Å; D23-R323 PolarHBondContact OD1-NH1 3.3Å |
| 24 | I | 55.3 | Low | 58.6 | Low | 128 Ų | 128 | 75.1 Ų | 75.1 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.9 | -47 | 169.6 | -60.1 | 171.3 | 0 | 0 | 0 | 109.2 | S22 R26 A27 V28 | S22-I24 PolarHBondContact O-N 3.46Å; I24-R26 PolarHBondContact O-N 3.48Å; I24-A27 PolarHBondContact O-N 2.91Å; I24-V28 HydrophobicContact CG2-CG2 4.37Å; I24-V28 WeakPolarHBondContact O-CB 3.49Å; I24-V28 WeakPolarHBondContact O-CG2 3.29Å; I24-V28 PolarHBondContact O-N 3.25Å |
| 25 | E | 61.8 | Low | 60.9 | Low | 70 Ų | 70 | 75.6 Ų | 75.6 | 33% | 0.327 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.4 | -34.4 | 176.6 | -78.3 | 156.6 | -126.5 | 0 | 0 | 113.7 | F20 G21 S22 D23 V28 K29 | F20-E25 WeakPolarHBondContact CA-OE2 3.42Å; G21-E25 PolarHBondContact N-OE2 3.46Å; S22-E25 WeakPolarHBondContact CB-OE1 3.25Å; S22-E25 PolarHBondContact N-OE2 3.35Å; S22-E25 WeakPolarHBondContact O-CA 3.18Å; S22-E25 WeakPolarHBondContact O-CB 3.39Å; S22-E25 PolarHBondContact O-N 3.3Å; S22-E25 WeakPolarHBondContact OG-CB 3.47Å; S22-E25 VanDerWaalsContact OG-CG 3.25Å; S22-E25 WeakPolarHBondContact OG-CG 3.43Å; S22-E25 PolarHBondContact OG-N 2.81Å; S22-E25 VanDerWaalsContact OG-N 3.1Å; S22-E25 PolarHBondContact OG-OE1 3.3Å; D23-E25 VanDerWaalsContact C-N 3.33Å; E25-V28 PolarHBondContact O-N 2.83Å; E25-K29 VanDerWaalsContact O-CB 3.27Å; E25-K29 WeakPolarHBondContact O-CB 3.27Å; E25-K29 VanDerWaalsContact O-CG 3.27Å; E25-K29 WeakPolarHBondContact O-CG 3.43Å; E25-K29 PolarHBondContact O-N 2.83Å |
| 26 | R | 64.2 | Low | 63.2 | Low | 119 Ų | 119 | 75.7 Ų | 75.7 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 172.4 | -173.2 | -179.8 | -179.1 | -157.2 | -1.3 | 111 | S22 D23 I24 K29 K30 D122 | S22-R26 PolarHBondContact O-N 2.86Å; D23-R26 PolarHBondContact O-N 3.07Å; I24-R26 PolarHBondContact O-N 3.48Å; R26-K29 PolarHBondContact O-N 3.39Å; R26-K30 WeakPolarHBondContact O-CB 3.27Å; R26-K30 PolarHBondContact O-N 2.76Å; R26-D122 IonicContact CZ-OD2 2.68Å; R26-D122 IonicContact NE-OD2 2.62Å; R26-D122 IonicContact NH2-OD2 3.36Å; R26-D122 PolarHBondContact NH2-OD2 2.62Å |
| 27 | A | 66 | Low | 65.8 | Low | 62 Ų | 62 | 74 Ų | 74 | 51% | 0.512 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | D23 I24 K30 E31 | D23-A27 PolarHBondContact O-N 3.25Å; I24-A27 PolarHBondContact O-N 2.91Å; A27-K30 PolarHBondContact O-N 2.73Å; A27-E31 WeakPolarHBondContact O-CB 3.38Å; A27-E31 PolarHBondContact O-N 2.95Å |
| 28 | V | 70.5 | Confident | 67.9 | Low | 82 Ų | 82 | 72.6 Ų | 72.6 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.2 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | I24 E25 E31 S32 | I24-V28 HydrophobicContact CG2-CG2 4.37Å; I24-V28 WeakPolarHBondContact O-CB 3.49Å; I24-V28 WeakPolarHBondContact O-CG2 3.29Å; I24-V28 PolarHBondContact O-N 3.25Å; E25-V28 PolarHBondContact O-N 2.83Å; V28-E31 PolarHBondContact O-N 2.68Å; V28-S32 WeakPolarHBondContact O-CB 3.4Å; V28-S32 PolarHBondContact O-N 3.29Å |
| 29 | K | 70.8 | Confident | 70.7 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 10% | 0.104 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 173.9 | -81.1 | -178.3 | 176.7 | -170.4 | 0 | 111.3 | F20 E25 R26 E31 S32 A33 T118 | F20-K29 VanDerWaalsContact CG-NZ 3.26Å; E25-K29 VanDerWaalsContact O-CB 3.27Å; E25-K29 WeakPolarHBondContact O-CB 3.27Å; E25-K29 VanDerWaalsContact O-CG 3.27Å; E25-K29 WeakPolarHBondContact O-CG 3.43Å; E25-K29 PolarHBondContact O-N 2.83Å; R26-K29 PolarHBondContact O-N 3.39Å; K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 2.68Å; K29-S32 WeakPolarHBondContact O-CB 3.48Å; K29-S32 PolarHBondContact O-N 3.34Å; K29-A33 VanDerWaalsContact O-CB 3.29Å; K29-A33 WeakPolarHBondContact O-CB 3.37Å; K29-A33 PolarHBondContact O-N 3.14Å; K29-T118 HydrophobicContact CB-CG2 4.48Å |
| 30 | K | 77.1 | Confident | 73.3 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 32% | 0.317 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 177 | -169.4 | 162.7 | -170.2 | 159.4 | 0 | 110.8 | R26 A27 A33 E34 T118 D121 | R26-K30 WeakPolarHBondContact O-CB 3.27Å; R26-K30 PolarHBondContact O-N 2.76Å; A27-K30 PolarHBondContact O-N 2.73Å; K30-A33 PolarHBondContact O-N 3.03Å; K30-E34 VanDerWaalsContact O-CG 3.29Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.48Å; K30-T118 HydrophobicContact CB-CG2 4.14Å; K30-D121 IonicContact NZ-OD1 3.71Å; K30-D121 PolarHBondContact NZ-OD1 3.25Å |
| 31 | E | 79.8 | Confident | 75.6 | Confident | 104 Ų | 104 | 65.5 Ų | 65.5 | 49% | 0.486 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 175 | -169.3 | -174.1 | 168.9 | 0 | 0 | 112.6 | A27 V28 K29 A33 E34 K35 | A27-E31 WeakPolarHBondContact O-CB 3.38Å; A27-E31 PolarHBondContact O-N 2.95Å; V28-E31 PolarHBondContact O-N 2.68Å; K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 2.68Å; E31-A33 VanDerWaalsContact C-N 3.34Å; E31-E34 PolarHBondContact O-N 3.36Å; E31-K35 WeakPolarHBondContact O-CG 3.32Å; E31-K35 PolarHBondContact O-N 3.07Å; E31-K35 WeakPolarHBondContact OE1-CE 3.1Å; E31-K35 IonicContact OE1-NZ 2.64Å; E31-K35 PolarHBondContact OE1-NZ 3.28Å |
| 32 | S | 80.6 | Confident | 78 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 32% | 0.315 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 172.9 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | V28 K29 E34 K35 E36 E115 | V28-S32 WeakPolarHBondContact O-CB 3.4Å; V28-S32 PolarHBondContact O-N 3.29Å; K29-S32 WeakPolarHBondContact O-CB 3.48Å; K29-S32 PolarHBondContact O-N 3.34Å; S32-E34 PolarHBondContact O-N 2.73Å; S32-K35 PolarHBondContact O-N 3.13Å; S32-E36 PolarHBondContact O-N 3.1Å; S32-E36 VanDerWaalsContact O-N 3.11Å; S32-E115 WeakPolarHBondContact CB-OE2 3.46Å; S32-E115 PolarHBondContact OG-OE2 3.3Å |
| 33 | A | 81.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | K29 K30 E31 K35 E36 E115 F119 | K29-A33 VanDerWaalsContact O-CB 3.29Å; K29-A33 WeakPolarHBondContact O-CB 3.37Å; K29-A33 PolarHBondContact O-N 3.14Å; K30-A33 PolarHBondContact O-N 3.03Å; E31-A33 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.39Å; A33-E36 PolarHBondContact O-N 3.33Å; A33-E115 HydrophobicContact CB-CG 3.47Å; A33-E115 VanDerWaalsContact CB-CG 3.47Å; A33-F119 HydrophobicContact CB-CB 3.89Å; A33-F119 HydrophobicContact CB-CD2 4.22Å |
| 34 | E | 86.2 | Confident | 81.6 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.7 | -20.9 | 175.3 | -68.2 | -66.5 | 164.8 | 0 | 0 | 113 | K30 E31 S32 R43 F119 | K30-E34 VanDerWaalsContact O-CG 3.29Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.48Å; E31-E34 PolarHBondContact O-N 3.36Å; S32-E34 PolarHBondContact O-N 2.73Å; E34-R43 IonicContact OE1-CZ 3.5Å; E34-R43 IonicContact OE1-NE 3.6Å; E34-R43 IonicContact OE1-NH2 2.69Å; E34-R43 PolarHBondContact OE1-NH2 3.3Å; E34-R43 IonicContact OE2-NE 3.69Å; E34-F119 WeakPolarHBondContact OE2-CE2 3.48Å |
| 35 | K | 88.9 | Confident | 83.5 | Confident | 137 Ų | 137 | 66.2 Ų | 66.2 | 60% | 0.596 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -93.8 | -15.2 | 178.4 | -70.1 | 175.3 | -172.2 | 170.6 | 0 | 113.7 | E31 S32 A33 P37 | E31-K35 WeakPolarHBondContact O-CG 3.32Å; E31-K35 PolarHBondContact O-N 3.07Å; E31-K35 WeakPolarHBondContact OE1-CE 3.1Å; E31-K35 IonicContact OE1-NZ 2.64Å; E31-K35 PolarHBondContact OE1-NZ 3.28Å; S32-K35 PolarHBondContact O-N 3.13Å; A33-K35 PolarHBondContact O-N 3.39Å; K35-P37 WeakPolarHBondContact O-CD 3.41Å |
| 36 | E | 91 | Very high | 85 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | trans | -69.9 | 113 | 179.7 | 172.5 | 53.5 | -111.8 | 0 | 0 | 110.3 | S32 A33 A38 W39 L60 K112 | S32-E36 PolarHBondContact O-N 3.1Å; S32-E36 VanDerWaalsContact O-N 3.11Å; A33-E36 PolarHBondContact O-N 3.33Å; E36-A38 HydrophobicContact CG-CB 3.98Å; E36-A38 PolarHBondContact O-N 3.44Å; E36-A38 VanDerWaalsContact O-N 3.13Å; E36-A38 WeakPolarHBondContact OE1-CB 3.22Å; E36-A38 PolarHBondContact OE1-N 3.06Å; E36-W39 VanDerWaalsContact CB-CD1 3.45Å; E36-W39 HydrophobicContact CB-CG 4.12Å; E36-W39 VanDerWaalsContact CG-CD1 3.5Å; E36-W39 HydrophobicContact CG-CD2 4Å; E36-W39 HydrophobicContact CG-CG 3.87Å; E36-W39 HydrophobicContact CG-CZ2 4.44Å; E36-W39 VanDerWaalsContact CG-NE1 3.33Å; E36-W39 PolarHBondContact O-N 2.89Å; E36-W39 VanDerWaalsContact O-N 3.1Å; E36-L60 HydrophobicContact CG-CD1 4.18Å; E36-K112 IonicContact OE2-NZ 3.84Å; E36-K112 PolarHBondContact OE2-NZ 3.16Å | ||
| 37 | P | 92.2 | Very high | 86.4 | Confident | 108 Ų | 108 | 65.1 Ų | 65.1 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.1 | -176.6 | -26.7 | 36.8 | 0 | 0 | 0 | 113.8 | K35 W39 G40 | K35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-W39 PolarHBondContact O-N 3.25Å; P37-G40 PolarHBondContact O-N 2.96Å |
| 38 | A | 93.8 | Very high | 87.9 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | E36 P41 L60 | E36-A38 HydrophobicContact CG-CB 3.98Å; E36-A38 PolarHBondContact O-N 3.44Å; E36-A38 VanDerWaalsContact O-N 3.13Å; E36-A38 WeakPolarHBondContact OE1-CB 3.22Å; E36-A38 PolarHBondContact OE1-N 3.06Å; A38-P41 WeakPolarHBondContact O-CD 3.5Å; A38-L60 HydrophobicContact CB-CB 3.98Å; A38-L60 HydrophobicContact CB-CD1 3.66Å; A38-L60 HydrophobicContact CB-CG 4.47Å |
| 39 | W | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -20.3 | -176 | -52.4 | 152.5 | 0 | 0 | 0 | 113.7 | E36 P37 P41 V42 W53 L60 I78 K112 E115 L116 F119 | E36-W39 VanDerWaalsContact CB-CD1 3.45Å; E36-W39 HydrophobicContact CB-CG 4.12Å; E36-W39 VanDerWaalsContact CG-CD1 3.5Å; E36-W39 HydrophobicContact CG-CD2 4Å; E36-W39 HydrophobicContact CG-CG 3.87Å; E36-W39 HydrophobicContact CG-CZ2 4.44Å; E36-W39 VanDerWaalsContact CG-NE1 3.33Å; E36-W39 PolarHBondContact O-N 2.89Å; E36-W39 VanDerWaalsContact O-N 3.1Å; P37-W39 PolarHBondContact O-N 3.25Å; W39-P41 VanDerWaalsContact C-CD 3.48Å; W39-P41 VanDerWaalsContact C-N 3.33Å; W39-V42 VanDerWaalsContact O-CB 3.3Å; W39-V42 WeakPolarHBondContact O-CB 3.34Å; W39-V42 PolarHBondContact O-N 2.71Å; W39-W53 HydrophobicContact CE3-CH2 4.13Å; W39-W53 AromaticContact CE3-CZ2 3.96Å; W39-W53 HydrophobicContact CE3-CZ2 3.96Å; W39-W53 HydrophobicContact CZ3-CD2 4.02Å; W39-W53 AromaticContact CZ3-CE2 3.87Å; W39-W53 HydrophobicContact CZ3-CE3 4Å; W39-W53 AromaticContact CZ3-CH2 3.72Å; W39-W53 HydrophobicContact CZ3-CH2 3.72Å; W39-W53 AromaticContact CZ3-CZ2 3.72Å; W39-W53 HydrophobicContact CZ3-CZ2 3.72Å; W39-W53 AromaticContact CZ3-CZ3 3.86Å; W39-W53 HydrophobicContact CZ3-CZ3 3.86Å; W39-L60 HydrophobicContact CH2-CD1 3.41Å; W39-L60 VanDerWaalsContact CH2-CD1 3.41Å; W39-L60 HydrophobicContact CH2-CD2 4.41Å; W39-L60 HydrophobicContact CZ2-CD1 3.45Å; W39-L60 VanDerWaalsContact CZ2-CD1 3.45Å; W39-L60 HydrophobicContact CZ3-CD1 4.05Å; W39-I78 HydrophobicContact CH2-CD1 4.24Å; W39-K112 HydrophobicContact CZ2-CB 4.26Å; W39-K112 HydrophobicContact CZ2-CD 4.29Å; W39-E115 PolarHBondContact NE1-OE1 3.32Å; W39-L116 HydrophobicContact CD2-CB 4.41Å; W39-L116 HydrophobicContact CD2-CD1 3.81Å; W39-L116 HydrophobicContact CE3-CD1 3.74Å; W39-L116 HydrophobicContact CE3-CD2 4.26Å; W39-L116 HydrophobicContact CE3-CG 4.42Å; W39-L116 HydrophobicContact CG-CD1 4.23Å; W39-L116 HydrophobicContact CH2-CB 4.01Å; W39-L116 HydrophobicContact CH2-CD2 3.95Å; W39-L116 HydrophobicContact CH2-CG 4.39Å; W39-L116 HydrophobicContact CZ2-CB 3.79Å; W39-L116 HydrophobicContact CZ3-CB 4.42Å; W39-L116 HydrophobicContact CZ3-CD1 4.13Å; W39-L116 HydrophobicContact CZ3-CD2 3.79Å; W39-L116 HydrophobicContact CZ3-CG 4.34Å; W39-F119 HydrophobicContact CB-CD1 3.92Å; W39-F119 HydrophobicContact CB-CD2 4.28Å; W39-F119 HydrophobicContact CB-CE1 3.75Å; W39-F119 HydrophobicContact CB-CE2 4.12Å; W39-F119 HydrophobicContact CB-CG 4.16Å; W39-F119 HydrophobicContact CB-CZ 3.84Å; W39-F119 WeakPolarHBondContact O-CE1 3.43Å |
| 40 | G | 91.5 | Very high | 90.4 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -43.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P37 V42 | P37-G40 PolarHBondContact O-N 2.96Å; G40-V42 VanDerWaalsContact C-N 3.33Å; G40-V42 PolarHBondContact O-N 3.06Å |
| 41 | P | 94 | Very high | 91.4 | Very high | 66 Ų | 66 | 63.6 Ų | 63.6 | 43% | 0.429 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -29.9 | 175.2 | -23.2 | 34.9 | 0 | 0 | 0 | 114.4 | A38 W39 R43 K44 M51 | A38-P41 WeakPolarHBondContact O-CD 3.5Å; W39-P41 VanDerWaalsContact C-CD 3.48Å; W39-P41 VanDerWaalsContact C-N 3.33Å; P41-R43 PolarHBondContact O-N 2.92Å; P41-K44 WeakPolarHBondContact O-CB 3.45Å; P41-K44 PolarHBondContact O-N 3.19Å; P41-M51 HydrophobicContact CB-CE 4.13Å |
| 42 | V | 94.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -62.2 | -41.3 | -171 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | W39 G40 K44 I45 M51 W53 L80 I82 F119 L120 | W39-V42 VanDerWaalsContact O-CB 3.3Å; W39-V42 WeakPolarHBondContact O-CB 3.34Å; W39-V42 PolarHBondContact O-N 2.71Å; G40-V42 VanDerWaalsContact C-N 3.33Å; G40-V42 PolarHBondContact O-N 3.06Å; V42-K44 PolarHBondContact O-N 2.87Å; V42-K44 VanDerWaalsContact O-N 3.14Å; V42-I45 PolarHBondContact O-N 3.45Å; V42-M51 HydrophobicContact CG2-SD 3.85Å; V42-W53 HydrophobicContact CG2-CH2 4.16Å; V42-W53 HydrophobicContact CG2-CZ2 4.4Å; V42-L80 HydrophobicContact CB-CD2 4.43Å; V42-L80 HydrophobicContact CG1-CD2 3.62Å; V42-L80 HydrophobicContact CG2-CD2 3.89Å; V42-I82 HydrophobicContact CG1-CD1 4.4Å; V42-F119 HydrophobicContact CB-CE1 4.19Å; V42-L120 HydrophobicContact CG1-CD2 3.77Å |
| 43 | R | 88 | Confident | 93.1 | Very high | 120 Ų | 120 | 56.9 Ų | 56.9 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -63.9 | -17.1 | 177.2 | -81.8 | -175.6 | -172.4 | -65.5 | -5.7 | 114.1 | E34 P41 F119 | E34-R43 IonicContact OE1-CZ 3.5Å; E34-R43 IonicContact OE1-NE 3.6Å; E34-R43 IonicContact OE1-NH2 2.69Å; E34-R43 PolarHBondContact OE1-NH2 3.3Å; E34-R43 IonicContact OE2-NE 3.69Å; P41-R43 PolarHBondContact O-N 2.92Å; R43-F119 HydrophobicContact CB-CZ 4.46Å; R43-F119 HydrophobicContact CG-CE1 3.63Å; R43-F119 HydrophobicContact CG-CE2 4.47Å; R43-F119 HydrophobicContact CG-CZ 3.51Å; R43-F119 VanDerWaalsContact NE-CZ 3.31Å; R43-F119 PolarHBondContact NH2-O 3.37Å |
| 44 | K | 92.7 | Very high | 93.8 | Very high | 173 Ų | 173 | 57.8 Ų | 57.8 | 75% | 0.752 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -92.2 | -5.9 | -178 | -59.3 | 179.6 | -176.5 | 175.3 | 0 | 112.8 | P41 V42 | P41-K44 WeakPolarHBondContact O-CB 3.45Å; P41-K44 PolarHBondContact O-N 3.19Å; V42-K44 PolarHBondContact O-N 2.87Å; V42-K44 VanDerWaalsContact O-N 3.14Å |
| 45 | I | 94.5 | Very high | 94.2 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | trans | -77.6 | 131 | -176.6 | -63.9 | 172 | 0 | 0 | 0 | 110.1 | V42 S47 T49 M51 I82 L89 | V42-I45 PolarHBondContact O-N 3.45Å; I45-S47 WeakPolarHBondContact CG2-O 3.5Å; I45-T49 HydrophobicContact CD1-CG2 3.84Å; I45-T49 VanDerWaalsContact CG2-OG1 3.27Å; I45-T49 WeakPolarHBondContact CG2-OG1 3.26Å; I45-M51 HydrophobicContact CD1-CG 4.41Å; I45-M51 HydrophobicContact CD1-SD 3.6Å; I45-I82 HydrophobicContact CB-CD1 4.13Å; I45-I82 HydrophobicContact CD1-CD1 3.51Å; I45-I82 HydrophobicContact CG1-CD1 4.41Å; I45-I82 HydrophobicContact CG2-CD1 3.9Å; I45-I82 HydrophobicContact CG2-CG2 4.41Å; I45-L89 WeakPolarHBondContact O-CD1 3.29Å | ||
| 46 | T | 93 | Very high | 94.4 | Very high | 103 Ų | 103 | 49.4 Ų | 49.4 | 63% | 0.632 | 28% | 0.277 | S | S | * | . | trans | -128.5 | 2.3 | 178.7 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 47 | S | 94.2 | Very high | 94.3 | Very high | 63 Ų | 63 | 53.6 Ų | 53.6 | 44% | 0.441 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -136.9 | 160.1 | -177.1 | 57 | 0 | 0 | 0 | 0 | 110.3 | I45 T49 | I45-S47 WeakPolarHBondContact CG2-O 3.5Å; S47-T49 PolarHBondContact O-N 3Å; S47-T49 PolarHBondContact O-OG1 2.77Å |
| 48 | P | 96.4 | Very high | 94.1 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | trans | -51.3 | 128.2 | 177.4 | -27.4 | 35.4 | 0 | 0 | 0 | 112.1 | I82 K84 | P48-I82 CarbonylContact C-O 2.99Å; P48-I82 WeakPolarHBondContact CA-O 3.33Å; P48-K84 HydrophobicContact CG-CB 4.13Å | ||
| 49 | T | 97.2 | Very high | 94 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 138.6 | -172.6 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | I45 S47 M51 I82 | I45-T49 HydrophobicContact CD1-CG2 3.84Å; I45-T49 VanDerWaalsContact CG2-OG1 3.27Å; I45-T49 WeakPolarHBondContact CG2-OG1 3.26Å; S47-T49 PolarHBondContact O-N 3Å; S47-T49 PolarHBondContact O-OG1 2.77Å; T49-M51 HydrophobicContact CG2-CG 4.01Å; T49-I82 PolarHBondContact N-O 2.78Å; T49-I82 VanDerWaalsContact N-O 3.07Å; T49-I82 PolarHBondContact O-N 3.22Å |
| 50 | L | 97.7 | Very high | 94.1 | Very high | 47 Ų | 47 | 62 Ų | 62 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.5 | 170.7 | -174 | 68.1 | 0 | 0 | 0 | 109 | V52 I68 V79 L80 N81 Y141 F142 | L50-V52 HydrophobicContact CG-CG2 4.44Å; L50-I68 HydrophobicContact CD2-CG2 3.84Å; L50-V79 HydrophobicContact CD1-CG1 3.61Å; L50-L80 WeakPolarHBondContact CA-O 3.28Å; L50-N81 HydrophobicContact CD1-CB 4.03Å; L50-Y141 HydrophobicContact CD1-CD2 4.38Å; L50-Y141 HydrophobicContact CD1-CG 4.29Å; L50-F142 HydrophobicContact CD2-CD1 4.26Å; L50-F142 HydrophobicContact CD2-CE1 4.03Å |
| 51 | M | 97.9 | Very high | 94.2 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 15% | 0.148 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.5 | 175.7 | -59.4 | -172.7 | 74.7 | 0 | 0 | 109.8 | P41 V42 I45 T49 W53 V79 L80 | P41-M51 HydrophobicContact CB-CE 4.13Å; V42-M51 HydrophobicContact CG2-SD 3.85Å; I45-M51 HydrophobicContact CD1-CG 4.41Å; I45-M51 HydrophobicContact CD1-SD 3.6Å; T49-M51 HydrophobicContact CG2-CG 4.01Å; M51-W53 HydrophobicContact CB-CE3 4.4Å; M51-W53 HydrophobicContact CB-CH2 3.37Å; M51-W53 HydrophobicContact CB-CZ2 3.96Å; M51-W53 HydrophobicContact CB-CZ3 3.62Å; M51-W53 HydrophobicContact CE-CH2 3.9Å; M51-W53 HydrophobicContact CE-CZ2 3.47Å; M51-W53 VanDerWaalsContact CE-CZ2 3.47Å; M51-W53 HydrophobicContact CG-CH2 4.17Å; M51-W53 HydrophobicContact SD-CH2 3.79Å; M51-W53 HydrophobicContact SD-CZ2 4.01Å; M51-V79 CarbonylContact O-C 3.38Å; M51-V79 WeakPolarHBondContact O-CA 3.41Å; M51-L80 HydrophobicContact CB-CB 4.41Å; M51-L80 PolarHBondContact N-O 3.04Å; M51-L80 PolarHBondContact O-N 3.25Å |
| 52 | V | 98.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131.6 | -179.1 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | L50 V63 I68 Y77 I78 V79 F142 | L50-V52 HydrophobicContact CG-CG2 4.44Å; V52-V63 HydrophobicContact CB-CB 4.01Å; V52-V63 HydrophobicContact CB-CG2 4.22Å; V52-V63 HydrophobicContact CG1-CB 4.02Å; V52-V63 HydrophobicContact CG1-CG2 3.71Å; V52-V63 WeakPolarHBondContact O-CB 3.14Å; V52-V63 PolarHBondContact O-N 3.44Å; V52-I68 HydrophobicContact CG2-CG1 4.21Å; V52-I68 HydrophobicContact CG2-CG2 4.18Å; V52-Y77 HydrophobicContact CG1-CD1 4.13Å; V52-I78 CarbonylContact C-O 3.51Å; V52-I78 WeakPolarHBondContact CA-O 3.46Å; V52-V79 HydrophobicContact CG1-CG2 4.03Å; V52-V79 HydrophobicContact CG2-CG1 4.23Å; V52-V79 HydrophobicContact CG2-CG2 4.12Å; V52-F142 HydrophobicContact CG2-CE1 4.47Å |
| 53 | W | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 142.2 | 172.4 | -59.2 | -95.1 | 0 | 0 | 0 | 109.9 | W39 V42 M51 L60 E61 Y77 I78 L80 | W39-W53 HydrophobicContact CE3-CH2 4.13Å; W39-W53 AromaticContact CE3-CZ2 3.96Å; W39-W53 HydrophobicContact CE3-CZ2 3.96Å; W39-W53 HydrophobicContact CZ3-CD2 4.02Å; W39-W53 AromaticContact CZ3-CE2 3.87Å; W39-W53 HydrophobicContact CZ3-CE3 4Å; W39-W53 AromaticContact CZ3-CH2 3.72Å; W39-W53 HydrophobicContact CZ3-CH2 3.72Å; W39-W53 AromaticContact CZ3-CZ2 3.72Å; W39-W53 HydrophobicContact CZ3-CZ2 3.72Å; W39-W53 AromaticContact CZ3-CZ3 3.86Å; W39-W53 HydrophobicContact CZ3-CZ3 3.86Å; V42-W53 HydrophobicContact CG2-CH2 4.16Å; V42-W53 HydrophobicContact CG2-CZ2 4.4Å; M51-W53 HydrophobicContact CB-CE3 4.4Å; M51-W53 HydrophobicContact CB-CH2 3.37Å; M51-W53 HydrophobicContact CB-CZ2 3.96Å; M51-W53 HydrophobicContact CB-CZ3 3.62Å; M51-W53 HydrophobicContact CE-CH2 3.9Å; M51-W53 HydrophobicContact CE-CZ2 3.47Å; M51-W53 VanDerWaalsContact CE-CZ2 3.47Å; M51-W53 HydrophobicContact CG-CH2 4.17Å; M51-W53 HydrophobicContact SD-CH2 3.79Å; M51-W53 HydrophobicContact SD-CZ2 4.01Å; W53-L60 HydrophobicContact CB-CB 4.22Å; W53-L60 HydrophobicContact CB-CD2 3.68Å; W53-L60 HydrophobicContact CG-CB 4.26Å; W53-L60 HydrophobicContact CG-CD2 4.2Å; W53-E61 CarbonylContact C-O 3.59Å; W53-E61 VanDerWaalsContact CA-O 3.25Å; W53-E61 WeakPolarHBondContact CA-O 3.1Å; W53-Y77 CarbonylContact O-C 3.58Å; W53-Y77 VanDerWaalsContact O-CA 3.23Å; W53-Y77 WeakPolarHBondContact O-CA 3.23Å; W53-Y77 WeakPolarHBondContact O-CB 3.32Å; W53-I78 HydrophobicContact CE3-CB 4.27Å; W53-I78 HydrophobicContact CE3-CG2 4.13Å; W53-I78 HydrophobicContact CZ3-CG2 4.49Å; W53-I78 PolarHBondContact N-O 3.41Å; W53-I78 PolarHBondContact O-N 2.91Å; W53-L80 HydrophobicContact CH2-CB 4.19Å; W53-L80 HydrophobicContact CH2-CD2 4.31Å; W53-L80 HydrophobicContact CZ3-CB 3.75Å |
| 54 | R | 96.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 67.1 Ų | 67.1 | 7% | 0.072 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.6 | 172.5 | -171.1 | 178.2 | 173.8 | -161 | 0.9 | 108.7 | E61 V63 D75 Y77 Y152 F156 | R54-E61 PolarHBondContact N-O 3.08Å; R54-E61 PolarHBondContact O-N 3.29Å; R54-V63 HydrophobicContact CB-CG2 3.95Å; R54-D75 HydrophobicContact CG-CB 4.46Å; R54-D75 IonicContact CZ-OD2 2.69Å; R54-D75 IonicContact NE-OD2 2.8Å; R54-D75 PolarHBondContact NE-OD2 2.9Å; R54-D75 IonicContact NH2-OD2 2.77Å; R54-D75 PolarHBondContact NH2-OD2 3.19Å; R54-Y77 HydrophobicContact CB-CD1 3.79Å; R54-Y77 HydrophobicContact CB-CE1 3.64Å; R54-Y77 HydrophobicContact CG-CD1 3.96Å; R54-Y77 HydrophobicContact CG-CE1 3.52Å; R54-Y77 HydrophobicContact CG-CE2 4.16Å; R54-Y77 HydrophobicContact CG-CG 4.49Å; R54-Y77 PolarHBondContact NE-OH 3.16Å; R54-Y152 HydrophobicContact CG-CE2 3.74Å; R54-F156 PolarHBondContact NH1-O 2.83Å; R54-F156 PolarHBondContact NH2-O 2.98Å |
| 55 | I | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129.9 | 178.3 | -56.3 | -55.9 | 0 | 0 | 0 | 109.4 | Q59 L60 S76 I78 E105 T108 A109 Y152 | I55-Q59 WeakPolarHBondContact CA-O 3.41Å; I55-L60 HydrophobicContact CD1-CD2 3.5Å; I55-L60 HydrophobicContact CD1-CG 4.47Å; I55-S76 WeakPolarHBondContact CB-O 3.18Å; I55-S76 WeakPolarHBondContact CG1-O 3.37Å; I55-S76 PolarHBondContact N-O 3.42Å; I55-I78 HydrophobicContact CD1-CD1 4.27Å; I55-I78 HydrophobicContact CD1-CG1 4.36Å; I55-E105 HydrophobicContact CG2-CB 4.29Å; I55-E105 HydrophobicContact CG2-CG 4.18Å; I55-T108 HydrophobicContact CD1-CG2 4.14Å; I55-T108 HydrophobicContact CG2-CG2 3.98Å; I55-A109 HydrophobicContact CD1-CB 4.38Å; I55-A109 HydrophobicContact CG1-CB 3.95Å; I55-Y152 VanDerWaalsContact O-CD2 3.32Å; I55-Y152 WeakPolarHBondContact O-CD2 3.45Å; I55-Y152 VanDerWaalsContact O-CE2 3.26Å; I55-Y152 WeakPolarHBondContact O-CE2 3.24Å |
| 56 | K | 92.8 | Very high | 94.4 | Very high | 54 Ų | 54 | 67.1 Ų | 67.1 | 24% | 0.235 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 114.8 | 174.5 | -169.3 | -179.6 | -164 | 164.5 | 0 | 110 | F58 Q59 E61 Y152 N157 | K56-F58 VanDerWaalsContact C-N 3.33Å; K56-F58 PolarHBondContact O-N 3.47Å; K56-Q59 PolarHBondContact N-O 3.17Å; K56-Q59 WeakPolarHBondContact O-CB 3.38Å; K56-Q59 PolarHBondContact O-N 2.61Å; K56-E61 VanDerWaalsContact CD-OE2 3.29Å; K56-E61 WeakPolarHBondContact CD-OE2 3.27Å; K56-E61 IonicContact NZ-OE2 3.81Å; K56-Y152 HydrophobicContact CB-CD2 3.83Å; K56-Y152 HydrophobicContact CB-CE2 3.42Å; K56-Y152 VanDerWaalsContact CB-CE2 3.42Å; K56-Y152 HydrophobicContact CD-CD1 4.15Å; K56-Y152 HydrophobicContact CD-CD2 4.33Å; K56-Y152 HydrophobicContact CD-CE1 3.75Å; K56-Y152 HydrophobicContact CD-CE2 3.91Å; K56-Y152 HydrophobicContact CD-CG 4.43Å; K56-Y152 HydrophobicContact CG-CD1 4.26Å; K56-Y152 HydrophobicContact CG-CD2 3.73Å; K56-Y152 HydrophobicContact CG-CE1 4.21Å; K56-Y152 HydrophobicContact CG-CE2 3.63Å; K56-Y152 HydrophobicContact CG-CG 4.04Å; K56-N157 WeakPolarHBondContact CE-OD1 3.48Å; K56-N157 PolarHBondContact NZ-OD1 3.44Å |
| 57 | N | 89.1 | Confident | 94.4 | Very high | 125 Ų | 125 | 64.2 Ų | 64.2 | 67% | 0.668 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 53.2 | 177.7 | -57.5 | -34.7 | 0 | 0 | 0 | 112.3 | Q59 | N57-Q59 PolarHBondContact O-N 3.32Š|
| 58 | F | 87.5 | Confident | 94.4 | Very high | 129 Ų | 129 | 64 Ų | 64 | 57% | 0.566 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 7.5 | -176.8 | -52.4 | -88.6 | 0 | 0 | 0 | 116.4 | K56 D104 T108 | K56-F58 VanDerWaalsContact C-N 3.33Å; K56-F58 PolarHBondContact O-N 3.47Å; F58-D104 HydrophobicContact CE1-CB 3.64Å; F58-D104 HydrophobicContact CE2-CB 4.49Å; F58-D104 HydrophobicContact CZ-CB 3.51Å; F58-T108 WeakPolarHBondContact CD1-OG1 3.44Å |
| 59 | Q | 92 | Very high | 94.3 | Very high | 143 Ų | 143 | 59.9 Ų | 59.9 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 157.7 | 179.3 | -61.4 | -168.7 | -19.1 | 0 | 0 | 112.5 | I55 K56 N57 | I55-Q59 WeakPolarHBondContact CA-O 3.41Å; K56-Q59 PolarHBondContact N-O 3.17Å; K56-Q59 WeakPolarHBondContact O-CB 3.38Å; K56-Q59 PolarHBondContact O-N 2.61Å; N57-Q59 PolarHBondContact O-N 3.32Å |
| 60 | L | 94.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 111.9 | 177.3 | -68.5 | 164.5 | 0 | 0 | 0 | 110.3 | E36 A38 W39 W53 I55 I78 K112 | E36-L60 HydrophobicContact CG-CD1 4.18Å; A38-L60 HydrophobicContact CB-CB 3.98Å; A38-L60 HydrophobicContact CB-CD1 3.66Å; A38-L60 HydrophobicContact CB-CG 4.47Å; W39-L60 HydrophobicContact CH2-CD1 3.41Å; W39-L60 VanDerWaalsContact CH2-CD1 3.41Å; W39-L60 HydrophobicContact CH2-CD2 4.41Å; W39-L60 HydrophobicContact CZ2-CD1 3.45Å; W39-L60 VanDerWaalsContact CZ2-CD1 3.45Å; W39-L60 HydrophobicContact CZ3-CD1 4.05Å; W53-L60 HydrophobicContact CB-CB 4.22Å; W53-L60 HydrophobicContact CB-CD2 3.68Å; W53-L60 HydrophobicContact CG-CB 4.26Å; W53-L60 HydrophobicContact CG-CD2 4.2Å; I55-L60 HydrophobicContact CD1-CD2 3.5Å; I55-L60 HydrophobicContact CD1-CG 4.47Å; L60-I78 HydrophobicContact CD2-CD1 3.57Å; L60-I78 HydrophobicContact CD2-CG1 4.26Å; L60-K112 HydrophobicContact CD1-CD 3.98Å; L60-K112 HydrophobicContact CD1-CG 4.23Å; L60-K112 HydrophobicContact CG-CG 4.46Å |
| 61 | E | 95.1 | Very high | 94.2 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122 | 171.5 | -170.6 | 172 | 161.8 | 0 | 0 | 109.5 | W53 R54 K56 V63 Y152 | W53-E61 CarbonylContact C-O 3.59Å; W53-E61 VanDerWaalsContact CA-O 3.25Å; W53-E61 WeakPolarHBondContact CA-O 3.1Å; R54-E61 PolarHBondContact N-O 3.08Å; R54-E61 PolarHBondContact O-N 3.29Å; K56-E61 VanDerWaalsContact CD-OE2 3.29Å; K56-E61 WeakPolarHBondContact CD-OE2 3.27Å; K56-E61 IonicContact NZ-OE2 3.81Å; E61-V63 PolarHBondContact O-N 3.21Å; E61-Y152 PolarHBondContact OE2-OH 2.82Å |
| 62 | V | 96.3 | Very high | 94.1 | Very high | 96 Ų | 96 | 58.5 Ų | 58.5 | 58% | 0.582 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 125.4 | 177.4 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 63 | V | 95.9 | Very high | 93.9 | Very high | 23 Ų | 23 | 58.7 Ų | 58.7 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 135.9 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | V52 R54 E61 D67 I68 Y77 | V52-V63 HydrophobicContact CB-CB 4.01Å; V52-V63 HydrophobicContact CB-CG2 4.22Å; V52-V63 HydrophobicContact CG1-CB 4.02Å; V52-V63 HydrophobicContact CG1-CG2 3.71Å; V52-V63 WeakPolarHBondContact O-CB 3.14Å; V52-V63 PolarHBondContact O-N 3.44Å; R54-V63 HydrophobicContact CB-CG2 3.95Å; E61-V63 PolarHBondContact O-N 3.21Å; V63-D67 HydrophobicContact CG1-CB 3.77Å; V63-I68 HydrophobicContact CG1-CG1 4.34Å; V63-Y77 HydrophobicContact CG2-CD1 4.27Å; V63-Y77 HydrophobicContact CG2-CE1 4.18Å |
| 64 | R | 93.6 | Very high | 93.7 | Very high | 138 Ų | 138 | 59 Ų | 59 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -65 | 147.6 | 177.6 | -68.9 | 178.5 | 152.2 | -175.4 | -5 | 110.7 | E66 D67 I68 H158 | R64-E66 HydrophobicContact CB-CG 4.15Å; R64-E66 IonicContact NH1-OE1 3.37Å; R64-E66 PolarHBondContact O-N 3.21Å; R64-E66 VanDerWaalsContact O-N 3.13Å; R64-D67 HydrophobicContact CB-CB 4.47Å; R64-D67 CarbonylContact O-C 3.53Å; R64-D67 WeakPolarHBondContact O-CA 3.33Å; R64-D67 PolarHBondContact O-N 3.18Å; R64-I68 PolarHBondContact O-N 2.89Å; R64-H158 PolarHBondContact NH1-NE2 2.99Å |
| 65 | G | 92.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 58 Ų | 58 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -54.5 | -36 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D67 I68 | G65-D67 VanDerWaalsContact C-N 3.26Å; G65-D67 PolarHBondContact O-N 2.91Å; G65-I68 PolarHBondContact O-N 2.85Å |
| 66 | E | 89.4 | Confident | 93.7 | Very high | 133 Ų | 133 | 58 Ų | 58 | 62% | 0.621 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -73 | -13.8 | 177.6 | 66.6 | -165.9 | -176.7 | 0 | 0 | 114.8 | R64 K70 | R64-E66 HydrophobicContact CB-CG 4.15Å; R64-E66 IonicContact NH1-OE1 3.37Å; R64-E66 PolarHBondContact O-N 3.21Å; R64-E66 VanDerWaalsContact O-N 3.13Å; E66-K70 WeakPolarHBondContact O-CE 3.42Å; E66-K70 PolarHBondContact O-NZ 3.42Å |
| 67 | D | 92.3 | Very high | 94 | Very high | 42 Ų | 42 | 55.6 Ų | 55.6 | 23% | 0.225 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -109 | -3.2 | 180 | -65.6 | -39.7 | 0 | 0 | 0 | 112.7 | V63 R64 G65 G69 K70 | V63-D67 HydrophobicContact CG1-CB 3.77Å; R64-D67 HydrophobicContact CB-CB 4.47Å; R64-D67 CarbonylContact O-C 3.53Å; R64-D67 WeakPolarHBondContact O-CA 3.33Å; R64-D67 PolarHBondContact O-N 3.18Å; G65-D67 VanDerWaalsContact C-N 3.26Å; G65-D67 PolarHBondContact O-N 2.91Å; D67-G69 PolarHBondContact O-N 2.95Å; D67-K70 HydrophobicContact CB-CD 4.45Å; D67-K70 WeakPolarHBondContact O-CB 3.49Å; D67-K70 PolarHBondContact O-N 3.34Å; D67-K70 IonicContact OD1-NZ 2.88Å; D67-K70 PolarHBondContact OD1-NZ 2.96Å |
| 68 | I | 95.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 30% | 0.303 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 125.6 | 171.4 | -68.6 | 178.2 | 0 | 0 | 0 | 108.7 | L50 V52 V63 R64 G65 F142 | L50-I68 HydrophobicContact CD2-CG2 3.84Å; V52-I68 HydrophobicContact CG2-CG1 4.21Å; V52-I68 HydrophobicContact CG2-CG2 4.18Å; V63-I68 HydrophobicContact CG1-CG1 4.34Å; R64-I68 PolarHBondContact O-N 2.89Å; G65-I68 PolarHBondContact O-N 2.85Å; I68-F142 HydrophobicContact CG2-CD1 3.96Å; I68-F142 HydrophobicContact CG2-CE1 4.1Å |
| 69 | G | 94.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.4 | -8.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | D67 F142 E146 | D67-G69 PolarHBondContact O-N 2.95Å; G69-F142 VanDerWaalsContact CA-CD1 3.47Å; G69-E146 PolarHBondContact O-N 2.87Å |
| 70 | K | 94.9 | Very high | 95.2 | Very high | 60 Ų | 60 | 36.7 Ų | 36.7 | 26% | 0.261 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.7 | 175.7 | -54.6 | 178.7 | -162.9 | 151.9 | 0 | 111.3 | E66 D67 E146 L148 | E66-K70 WeakPolarHBondContact O-CE 3.42Å; E66-K70 PolarHBondContact O-NZ 3.42Å; D67-K70 HydrophobicContact CB-CD 4.45Å; D67-K70 WeakPolarHBondContact O-CB 3.49Å; D67-K70 PolarHBondContact O-N 3.34Å; D67-K70 IonicContact OD1-NZ 2.88Å; D67-K70 PolarHBondContact OD1-NZ 2.96Å; K70-E146 HydrophobicContact CG-CB 4.25Å; K70-E146 HydrophobicContact CG-CG 4.36Å; K70-L148 HydrophobicContact CB-CD1 4.26Å |
| 71 | F | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.3 | -177.7 | -65.6 | -90.8 | 0 | 0 | 0 | 110.5 | Y77 V79 W96 F138 F142 F145 E146 T147 L148 | F71-Y77 HydrophobicContact CB-CE2 4.37Å; F71-Y77 AromaticContact CD1-CD1 3.97Å; F71-Y77 HydrophobicContact CD1-CD1 3.97Å; F71-Y77 AromaticContact CD1-CD2 3.7Å; F71-Y77 HydrophobicContact CD1-CD2 3.7Å; F71-Y77 HydrophobicContact CD1-CE1 4.23Å; F71-Y77 HydrophobicContact CD1-CE2 4.02Å; F71-Y77 AromaticContact CD1-CG 3.67Å; F71-Y77 HydrophobicContact CD1-CG 3.67Å; F71-Y77 HydrophobicContact CE1-CD1 4.04Å; F71-Y77 HydrophobicContact CE1-CD2 4.36Å; F71-Y77 AromaticContact CE1-CG 3.88Å; F71-Y77 HydrophobicContact CE1-CG 3.88Å; F71-V79 HydrophobicContact CE1-CG2 4.13Å; F71-V79 HydrophobicContact CZ-CG2 4.11Å; F71-W96 HydrophobicContact CB-CD2 4.39Å; F71-W96 HydrophobicContact CB-CE3 4.3Å; F71-W96 HydrophobicContact CB-CH2 3.78Å; F71-W96 HydrophobicContact CB-CZ2 3.91Å; F71-W96 HydrophobicContact CB-CZ3 4Å; F71-W96 AromaticContact CD1-CD2 3.94Å; F71-W96 HydrophobicContact CD1-CD2 3.94Å; F71-W96 HydrophobicContact CD1-CE3 4.02Å; F71-W96 HydrophobicContact CD1-CG 4.18Å; F71-W96 HydrophobicContact CE1-CB 4.46Å; F71-W96 HydrophobicContact CE1-CG 4.49Å; F71-W96 HydrophobicContact CG-CD2 4.39Å; F71-F138 AromaticContact CE1-CZ 3.94Å; F71-F138 HydrophobicContact CE1-CZ 3.94Å; F71-F138 HydrophobicContact CE2-CZ 4.36Å; F71-F138 HydrophobicContact CZ-CE1 4.33Å; F71-F138 AromaticContact CZ-CZ 3.72Å; F71-F138 HydrophobicContact CZ-CZ 3.72Å; F71-F142 HydrophobicContact CE2-CD1 4.48Å; F71-F142 HydrophobicContact CE2-CD2 4.39Å; F71-F142 HydrophobicContact CE2-CE1 4.01Å; F71-F142 AromaticContact CE2-CE2 3.92Å; F71-F142 HydrophobicContact CE2-CE2 3.92Å; F71-F142 AromaticContact CE2-CZ 3.73Å; F71-F142 HydrophobicContact CE2-CZ 3.73Å; F71-F142 AromaticContact CZ-CE1 3.91Å; F71-F142 HydrophobicContact CZ-CE1 3.91Å; F71-F142 HydrophobicContact CZ-CE2 4.01Å; F71-F142 AromaticContact CZ-CZ 3.47Å; F71-F142 HydrophobicContact CZ-CZ 3.47Å; F71-F142 VanDerWaalsContact CZ-CZ 3.47Å; F71-F145 AromaticContact CD2-CD2 3.8Å; F71-F145 HydrophobicContact CD2-CD2 3.8Å; F71-F145 AromaticContact CD2-CE2 3.29Å; F71-F145 HydrophobicContact CD2-CE2 3.29Å; F71-F145 HydrophobicContact CD2-CZ 4.17Å; F71-F145 AromaticContact CE2-CD2 3.75Å; F71-F145 HydrophobicContact CE2-CD2 3.75Å; F71-F145 AromaticContact CE2-CE2 3.43Å; F71-F145 HydrophobicContact CE2-CE2 3.43Å; F71-F145 VanDerWaalsContact CE2-CE2 3.43Å; F71-F145 HydrophobicContact CG-CE2 4.09Å; F71-F145 HydrophobicContact CZ-CE2 4.31Å; F71-E146 PolarHBondContact N-O 3.48Å; F71-T147 CarbonylContact O-C 3.52Å; F71-T147 WeakPolarHBondContact O-CA 3.49Å; F71-L148 PolarHBondContact O-N 2.81Å |
| 72 | F | 95.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.5 | 175.3 | -76.8 | -70.7 | 0 | 0 | 0 | 110.2 | G74 D75 Y77 W96 L148 G150 F156 | F72-G74 PolarHBondContact O-N 2.73Å; F72-G74 VanDerWaalsContact O-N 3.14Å; F72-D75 VanDerWaalsContact CB-OD2 3.23Å; F72-D75 WeakPolarHBondContact CB-OD2 3.44Å; F72-D75 PolarHBondContact O-N 3.09Å; F72-Y77 WeakPolarHBondContact CD2-OH 3.44Å; F72-Y77 PolarHBondContact N-OH 2.85Å; F72-W96 WeakPolarHBondContact O-CZ3 3.48Å; F72-L148 WeakPolarHBondContact CA-O 3.3Å; F72-L148 HydrophobicContact CD1-CB 3.82Å; F72-L148 HydrophobicContact CE1-CB 3.83Å; F72-L148 HydrophobicContact CE1-CD1 4.06Å; F72-L148 HydrophobicContact CZ-CD1 4.16Å; F72-G150 WeakPolarHBondContact CB-O 3.29Å; F72-F156 HydrophobicContact CD1-CB 4.45Å; F72-F156 HydrophobicContact CE1-CB 4.22Å; F72-F156 HydrophobicContact CE1-CD1 4.13Å; F72-F156 HydrophobicContact CE1-CG 4.35Å; F72-F156 HydrophobicContact CZ-CB 4.49Å |
| 73 | R | 94.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.5 | -172.8 | -64.3 | 163.4 | 115.2 | -63 | -31.7 | 113 | G98 R99 E100 S101 D131 T147 L148 G150 | R73-G98 CarbonylContact O-C 3.58Å; R73-G98 WeakPolarHBondContact O-CA 3.17Å; R73-R99 VanDerWaalsContact NH1-CG 3.3Å; R73-R99 PolarHBondContact O-N 3.33Å; R73-R99 VanDerWaalsContact O-N 3.11Å; R73-E100 IonicContact NH1-OE1 3.77Å; R73-E100 CarbonylContact O-C 3.6Å; R73-E100 WeakPolarHBondContact O-CA 3.36Å; R73-E100 WeakPolarHBondContact O-CB 3.46Å; R73-E100 PolarHBondContact O-N 2.82Å; R73-S101 PolarHBondContact O-N 2.88Å; R73-D131 WeakPolarHBondContact CG-OD2 3.4Å; R73-D131 IonicContact CZ-OD1 3.81Å; R73-D131 IonicContact CZ-OD2 2.93Å; R73-D131 IonicContact NE-OD1 2.7Å; R73-D131 IonicContact NE-OD2 3.73Å; R73-D131 IonicContact NH1-OD2 3.73Å; R73-D131 PolarHBondContact NH1-OD2 3.3Å; R73-D131 IonicContact NH2-OD1 2.64Å; R73-D131 PolarHBondContact NH2-OD1 3.08Å; R73-D131 IonicContact NH2-OD2 2.76Å; R73-D131 PolarHBondContact NH2-OD2 2.89Å; R73-T147 HydrophobicContact CG-CG2 3.4Å; R73-L148 WeakPolarHBondContact CB-O 3.37Å; R73-L148 WeakPolarHBondContact CD-O 3.17Å; R73-L148 WeakPolarHBondContact CG-O 3.11Å; R73-L148 PolarHBondContact N-O 3.03Å; R73-G150 PolarHBondContact N-O 3.29Å |
| 74 | G | 94.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 35 Ų | 35 | 7% | 0.072 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 4.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | F72 S101 G150 | F72-G74 PolarHBondContact O-N 2.73Å; F72-G74 VanDerWaalsContact O-N 3.14Å; G74-S101 WeakPolarHBondContact O-CA 3.4Å; G74-G150 VanDerWaalsContact CA-O 3.26Å; G74-G150 WeakPolarHBondContact CA-O 3.23Å; G74-G150 PolarHBondContact N-O 2.78Å |
| 75 | D | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -131.9 | 175.7 | -179.9 | -47.3 | -51.6 | 0 | 0 | 0 | 112.5 | R54 F72 Y77 W96 G98 S101 G151 Y152 | R54-D75 HydrophobicContact CG-CB 4.46Å; R54-D75 IonicContact CZ-OD2 2.69Å; R54-D75 IonicContact NE-OD2 2.8Å; R54-D75 PolarHBondContact NE-OD2 2.9Å; R54-D75 IonicContact NH2-OD2 2.77Å; R54-D75 PolarHBondContact NH2-OD2 3.19Å; F72-D75 VanDerWaalsContact CB-OD2 3.23Å; F72-D75 WeakPolarHBondContact CB-OD2 3.44Å; F72-D75 PolarHBondContact O-N 3.09Å; D75-Y77 HydrophobicContact CB-CE2 4.02Å; D75-W96 WeakPolarHBondContact O-CZ3 3.49Å; D75-G98 VanDerWaalsContact O-CA 3.32Å; D75-G98 WeakPolarHBondContact O-CA 3.49Å; D75-G98 PolarHBondContact O-N 2.92Å; D75-S101 VanDerWaalsContact C-OG 3.26Å; D75-S101 WeakPolarHBondContact O-CB 3.19Å; D75-G151 VanDerWaalsContact CG-CA 3.5Å; D75-G151 WeakPolarHBondContact OD1-CA 3.44Å; D75-G151 WeakPolarHBondContact OD2-CA 3.37Å; D75-Y152 PolarHBondContact OD1-N 2.88Å |
| 76 | S | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 153.5 | 173 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | I55 W96 S101 Y106 | I55-S76 WeakPolarHBondContact CB-O 3.18Å; I55-S76 WeakPolarHBondContact CG1-O 3.37Å; I55-S76 PolarHBondContact N-O 3.42Å; S76-W96 VanDerWaalsContact CA-O 3.28Å; S76-W96 WeakPolarHBondContact CA-O 3.33Å; S76-S101 PolarHBondContact N-OG 3.44Å; S76-S101 PolarHBondContact OG-OG 2.88Å; S76-Y106 WeakPolarHBondContact OG-CA 3.27Å; S76-Y106 WeakPolarHBondContact OG-CB 3.45Å; S76-Y106 PolarHBondContact OG-N 2.85Å |
| 77 | Y | 98 | Very high | 94.8 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 158.4 | -173.6 | -66.7 | -108 | 0 | 0 | 0 | 111.3 | V52 W53 R54 V63 F71 F72 D75 F95 W96 | V52-Y77 HydrophobicContact CG1-CD1 4.13Å; W53-Y77 CarbonylContact O-C 3.58Å; W53-Y77 VanDerWaalsContact O-CA 3.23Å; W53-Y77 WeakPolarHBondContact O-CA 3.23Å; W53-Y77 WeakPolarHBondContact O-CB 3.32Å; R54-Y77 HydrophobicContact CB-CD1 3.79Å; R54-Y77 HydrophobicContact CB-CE1 3.64Å; R54-Y77 HydrophobicContact CG-CD1 3.96Å; R54-Y77 HydrophobicContact CG-CE1 3.52Å; R54-Y77 HydrophobicContact CG-CE2 4.16Å; R54-Y77 HydrophobicContact CG-CG 4.49Å; R54-Y77 PolarHBondContact NE-OH 3.16Å; V63-Y77 HydrophobicContact CG2-CD1 4.27Å; V63-Y77 HydrophobicContact CG2-CE1 4.18Å; F71-Y77 HydrophobicContact CB-CE2 4.37Å; F71-Y77 AromaticContact CD1-CD1 3.97Å; F71-Y77 HydrophobicContact CD1-CD1 3.97Å; F71-Y77 AromaticContact CD1-CD2 3.7Å; F71-Y77 HydrophobicContact CD1-CD2 3.7Å; F71-Y77 HydrophobicContact CD1-CE1 4.23Å; F71-Y77 HydrophobicContact CD1-CE2 4.02Å; F71-Y77 AromaticContact CD1-CG 3.67Å; F71-Y77 HydrophobicContact CD1-CG 3.67Å; F71-Y77 HydrophobicContact CE1-CD1 4.04Å; F71-Y77 HydrophobicContact CE1-CD2 4.36Å; F71-Y77 AromaticContact CE1-CG 3.88Å; F71-Y77 HydrophobicContact CE1-CG 3.88Å; F72-Y77 WeakPolarHBondContact CD2-OH 3.44Å; F72-Y77 PolarHBondContact N-OH 2.85Å; D75-Y77 HydrophobicContact CB-CE2 4.02Å; Y77-F95 CarbonylContact O-C 3.52Å; Y77-F95 VanDerWaalsContact O-CA 3.23Å; Y77-F95 WeakPolarHBondContact O-CA 3.3Å; Y77-W96 AromaticContact CD2-CE3 3.7Å; Y77-W96 HydrophobicContact CD2-CE3 3.7Å; Y77-W96 HydrophobicContact CD2-CZ3 4.04Å; Y77-W96 HydrophobicContact CE2-CE3 4.25Å; Y77-W96 HydrophobicContact CE2-CZ3 4.12Å; Y77-W96 PolarHBondContact N-O 3.23Å; Y77-W96 PolarHBondContact O-N 3.29Å |
| 78 | I | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.7 | 166.3 | -57.8 | -179.7 | 0 | 0 | 0 | 108 | W39 V52 W53 I55 L60 V93 H94 A109 K112 | W39-I78 HydrophobicContact CH2-CD1 4.24Å; V52-I78 CarbonylContact C-O 3.51Å; V52-I78 WeakPolarHBondContact CA-O 3.46Å; W53-I78 HydrophobicContact CE3-CB 4.27Å; W53-I78 HydrophobicContact CE3-CG2 4.13Å; W53-I78 HydrophobicContact CZ3-CG2 4.49Å; W53-I78 PolarHBondContact N-O 3.41Å; W53-I78 PolarHBondContact O-N 2.91Å; I55-I78 HydrophobicContact CD1-CD1 4.27Å; I55-I78 HydrophobicContact CD1-CG1 4.36Å; L60-I78 HydrophobicContact CD2-CD1 3.57Å; L60-I78 HydrophobicContact CD2-CG1 4.26Å; I78-V93 HydrophobicContact CG2-CG1 4.13Å; I78-H94 CarbonylContact C-O 3.54Å; I78-H94 VanDerWaalsContact CA-O 3.3Å; I78-H94 WeakPolarHBondContact CA-O 3.48Å; I78-A109 HydrophobicContact CG1-CB 4.35Å; I78-K112 HydrophobicContact CD1-CB 3.28Å; I78-K112 HydrophobicContact CD1-CG 4.37Å |
| 79 | V | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 108 | L50 M51 V52 F71 V93 H94 F138 Y141 F142 | L50-V79 HydrophobicContact CD1-CG1 3.61Å; M51-V79 CarbonylContact O-C 3.38Å; M51-V79 WeakPolarHBondContact O-CA 3.41Å; V52-V79 HydrophobicContact CG1-CG2 4.03Å; V52-V79 HydrophobicContact CG2-CG1 4.23Å; V52-V79 HydrophobicContact CG2-CG2 4.12Å; F71-V79 HydrophobicContact CE1-CG2 4.13Å; F71-V79 HydrophobicContact CZ-CG2 4.11Å; V79-V93 WeakPolarHBondContact O-CA 3.44Å; V79-H94 HydrophobicContact CB-CB 4.25Å; V79-H94 PolarHBondContact N-O 3.31Å; V79-H94 PolarHBondContact O-N 2.96Å; V79-F138 HydrophobicContact CB-CE2 3.92Å; V79-F138 HydrophobicContact CG1-CE2 4.31Å; V79-F138 HydrophobicContact CG2-CE2 3.65Å; V79-F138 HydrophobicContact CG2-CZ 4.08Å; V79-Y141 HydrophobicContact CG1-CD2 4.39Å; V79-F142 HydrophobicContact CG1-CZ 4.22Å; V79-F142 HydrophobicContact CG2-CZ 4.28Å |
| 80 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.4 | 171.4 | 172.4 | 66.2 | 0 | 0 | 0 | 108.4 | V42 L50 M51 W53 I82 Y91 D92 V93 L116 L120 | V42-L80 HydrophobicContact CB-CD2 4.43Å; V42-L80 HydrophobicContact CG1-CD2 3.62Å; V42-L80 HydrophobicContact CG2-CD2 3.89Å; L50-L80 WeakPolarHBondContact CA-O 3.28Å; M51-L80 HydrophobicContact CB-CB 4.41Å; M51-L80 PolarHBondContact N-O 3.04Å; M51-L80 PolarHBondContact O-N 3.25Å; W53-L80 HydrophobicContact CH2-CB 4.19Å; W53-L80 HydrophobicContact CH2-CD2 4.31Å; W53-L80 HydrophobicContact CZ3-CB 3.75Å; L80-I82 HydrophobicContact CD1-CG1 4.15Å; L80-I82 HydrophobicContact CD2-CD1 3.83Å; L80-I82 HydrophobicContact CD2-CG1 4.05Å; L80-I82 HydrophobicContact CG-CD1 4.18Å; L80-I82 HydrophobicContact CG-CG1 3.82Å; L80-Y91 HydrophobicContact CD1-CD1 4.2Å; L80-D92 WeakPolarHBondContact CA-O 3.48Å; L80-V93 HydrophobicContact CD1-CG2 3.57Å; L80-L116 HydrophobicContact CB-CD2 4.27Å; L80-L116 HydrophobicContact CD1-CD2 4.44Å; L80-L116 HydrophobicContact CD2-CD2 4.26Å; L80-L120 HydrophobicContact CD1-CD1 4.22Å |
| 81 | N | 97.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 38 Ų | 38 | 10% | 0.096 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.1 | 167.7 | 177.6 | 63 | 0 | 0 | 0 | 109.4 | L50 Y91 D92 Y141 | L50-N81 HydrophobicContact CD1-CB 4.03Å; N81-Y91 WeakPolarHBondContact O-CA 3.23Å; N81-D92 HydrophobicContact CB-CB 4.34Å; N81-D92 PolarHBondContact N-O 3Å; N81-D92 PolarHBondContact ND2-OD2 3.22Å; N81-D92 PolarHBondContact O-N 3.47Å; N81-Y141 HydrophobicContact CB-CD1 4.25Å; N81-Y141 HydrophobicContact CB-CD2 4.23Å; N81-Y141 HydrophobicContact CB-CE1 3.84Å; N81-Y141 HydrophobicContact CB-CE2 3.8Å; N81-Y141 HydrophobicContact CB-CG 4.43Å; N81-Y141 VanDerWaalsContact CG-CE1 3.42Å; N81-Y141 WeakPolarHBondContact ND2-CE1 3.37Å |
| 82 | I | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.7 | 176.9 | -50.6 | -178.3 | 0 | 0 | 0 | 108 | V42 I45 P48 T49 L80 L89 L90 Y91 | V42-I82 HydrophobicContact CG1-CD1 4.4Å; I45-I82 HydrophobicContact CB-CD1 4.13Å; I45-I82 HydrophobicContact CD1-CD1 3.51Å; I45-I82 HydrophobicContact CG1-CD1 4.41Å; I45-I82 HydrophobicContact CG2-CD1 3.9Å; I45-I82 HydrophobicContact CG2-CG2 4.41Å; P48-I82 CarbonylContact C-O 2.99Å; P48-I82 WeakPolarHBondContact CA-O 3.33Å; T49-I82 PolarHBondContact N-O 2.78Å; T49-I82 VanDerWaalsContact N-O 3.07Å; T49-I82 PolarHBondContact O-N 3.22Å; L80-I82 HydrophobicContact CD1-CG1 4.15Å; L80-I82 HydrophobicContact CD2-CD1 3.83Å; L80-I82 HydrophobicContact CD2-CG1 4.05Å; L80-I82 HydrophobicContact CG-CD1 4.18Å; L80-I82 HydrophobicContact CG-CG1 3.82Å; I82-L89 HydrophobicContact CG2-CB 4.17Å; I82-L89 HydrophobicContact CG2-CD1 4.46Å; I82-L89 HydrophobicContact CG2-CD2 4.03Å; I82-L89 HydrophobicContact CG2-CG 4.45Å; I82-L90 WeakPolarHBondContact CA-O 3.21Å; I82-Y91 HydrophobicContact CD1-CD1 4.1Å; I82-Y91 HydrophobicContact CD1-CE1 3.97Å; I82-Y91 HydrophobicContact CG1-CD1 3.86Å; I82-Y91 HydrophobicContact CG1-CE1 4.17Å; I82-Y91 HydrophobicContact CG2-CD1 4.14Å; I82-Y91 HydrophobicContact CG2-CE1 3.98Å |
| 83 | E | 94.2 | Very high | 94.5 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 150.9 | 169.9 | -65.8 | -167.8 | 163.3 | 0 | 0 | 110.4 | L89 L90 K357 | E83-L89 WeakPolarHBondContact O-CA 3.32Å; E83-L90 HydrophobicContact CB-CB 4.44Å; E83-L90 PolarHBondContact N-O 3.49Å; E83-L90 PolarHBondContact O-N 3.35Å; E83-K357 IonicContact OE2-NZ 3.17Å |
| 84 | K | 92.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 37.1 Ų | 37.1 | 44% | 0.443 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.8 | 171.2 | -174.2 | 171.9 | -176.3 | 172.8 | 0 | 109.7 | P48 G86 L89 | P48-K84 HydrophobicContact CG-CB 4.13Å; K84-G86 WeakPolarHBondContact CE-O 3.38Å; K84-G86 WeakPolarHBondContact CG-O 3.16Å; K84-L89 HydrophobicContact CB-CD2 4.02Å; K84-L89 HydrophobicContact CG-CD2 4.16Å |
| 85 | V | 89.7 | Confident | 94.7 | Very high | 84 Ų | 84 | 37 Ų | 37 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 101.8 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | D87 E88 L90 | V85-D87 PolarHBondContact O-N 3.27Å; V85-E88 PolarHBondContact N-O 3.36Å; V85-E88 PolarHBondContact O-N 3.07Å; V85-L90 HydrophobicContact CB-CD1 4.25Å; V85-L90 HydrophobicContact CG2-CD1 3.56Å; V85-L90 HydrophobicContact CG2-CG 4.14Å |
| 86 | G | 89.7 | Confident | 94.8 | Very high | 60 Ų | 60 | 37 Ų | 37 | 62% | 0.619 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64 | -121.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | K84 | K84-G86 WeakPolarHBondContact CE-O 3.38Å; K84-G86 WeakPolarHBondContact CG-O 3.16Å |
| 87 | D | 88.8 | Confident | 94.8 | Very high | 159 Ų | 159 | 38 Ų | 38 | 85% | 0.85 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -3.5 | 177.3 | -69.3 | -34.5 | 0 | 0 | 0 | 113.5 | V85 | V85-D87 PolarHBondContact O-N 3.27Š|
| 88 | E | 90.1 | Very high | 94.6 | Very high | 130 Ų | 130 | 38 Ų | 38 | 61% | 0.607 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 145.3 | 178.8 | -63.7 | -166.7 | 167.7 | 0 | 0 | 111.9 | V85 | V85-E88 PolarHBondContact N-O 3.36Å; V85-E88 PolarHBondContact O-N 3.07Å |
| 89 | L | 92.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.6 | 168.4 | -62.7 | 176.7 | 0 | 0 | 0 | 108.8 | I45 I82 E83 K84 Y91 | I45-L89 WeakPolarHBondContact O-CD1 3.29Å; I82-L89 HydrophobicContact CG2-CB 4.17Å; I82-L89 HydrophobicContact CG2-CD1 4.46Å; I82-L89 HydrophobicContact CG2-CD2 4.03Å; I82-L89 HydrophobicContact CG2-CG 4.45Å; E83-L89 WeakPolarHBondContact O-CA 3.32Å; K84-L89 HydrophobicContact CB-CD2 4.02Å; K84-L89 HydrophobicContact CG-CD2 4.16Å; L89-Y91 HydrophobicContact CB-CE1 4.22Å; L89-Y91 HydrophobicContact CB-CE2 3.97Å; L89-Y91 WeakPolarHBondContact CB-OH 3.42Å; L89-Y91 WeakPolarHBondContact CD1-OH 3.23Å |
| 90 | L | 93 | Very high | 94 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 30% | 0.298 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138.9 | 171.1 | -56.8 | -176.6 | 0 | 0 | 0 | 108.3 | I82 E83 V85 | I82-L90 WeakPolarHBondContact CA-O 3.21Å; E83-L90 HydrophobicContact CB-CB 4.44Å; E83-L90 PolarHBondContact N-O 3.49Å; E83-L90 PolarHBondContact O-N 3.35Å; V85-L90 HydrophobicContact CB-CD1 4.25Å; V85-L90 HydrophobicContact CG2-CD1 3.56Å; V85-L90 HydrophobicContact CG2-CG 4.14Å |
| 91 | Y | 94.2 | Very high | 93.6 | Very high | 37 Ų | 37 | 49.3 Ų | 49.3 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.6 | -175.4 | -53.5 | -85.2 | 0 | 0 | 0 | 109 | L80 N81 I82 L89 L120 K123 A124 V125 | L80-Y91 HydrophobicContact CD1-CD1 4.2Å; N81-Y91 WeakPolarHBondContact O-CA 3.23Å; I82-Y91 HydrophobicContact CD1-CD1 4.1Å; I82-Y91 HydrophobicContact CD1-CE1 3.97Å; I82-Y91 HydrophobicContact CG1-CD1 3.86Å; I82-Y91 HydrophobicContact CG1-CE1 4.17Å; I82-Y91 HydrophobicContact CG2-CD1 4.14Å; I82-Y91 HydrophobicContact CG2-CE1 3.98Å; L89-Y91 HydrophobicContact CB-CE1 4.22Å; L89-Y91 HydrophobicContact CB-CE2 3.97Å; L89-Y91 WeakPolarHBondContact CB-OH 3.42Å; L89-Y91 WeakPolarHBondContact CD1-OH 3.23Å; Y91-L120 HydrophobicContact CD1-CD1 3.88Å; Y91-L120 HydrophobicContact CD1-CD2 4.02Å; Y91-L120 HydrophobicContact CE1-CD1 4.49Å; Y91-L120 HydrophobicContact CE1-CD2 3.78Å; Y91-L120 HydrophobicContact CE2-CD2 4.43Å; Y91-L120 HydrophobicContact CG-CD1 3.91Å; Y91-L120 HydrophobicContact CG-CD2 4.46Å; Y91-K123 HydrophobicContact CD2-CB 4.18Å; Y91-K123 HydrophobicContact CE2-CB 4.47Å; Y91-A124 CarbonylContact O-C 3.14Å; Y91-A124 VanDerWaalsContact O-CA 3.29Å; Y91-A124 WeakPolarHBondContact O-CA 3.21Å; Y91-V125 PolarHBondContact O-N 2.68Å |
| 92 | D | 95.4 | Very high | 93.2 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.5 | 166.6 | -55.9 | -75.5 | 0 | 0 | 0 | 107.6 | L80 N81 H94 H127 Y141 | L80-D92 WeakPolarHBondContact CA-O 3.48Å; N81-D92 HydrophobicContact CB-CB 4.34Å; N81-D92 PolarHBondContact N-O 3Å; N81-D92 PolarHBondContact ND2-OD2 3.22Å; N81-D92 PolarHBondContact O-N 3.47Å; D92-H94 WeakPolarHBondContact CB-NE2 3.47Å; D92-H127 IonicContact OD1-NE2 3.92Å; D92-H127 PolarHBondContact OD1-NE2 2.82Å; D92-Y141 WeakPolarHBondContact CB-OH 3.37Å; D92-Y141 PolarHBondContact OD2-OH 2.78Å |
| 93 | V | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.2 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | I78 V79 L80 T113 L116 L120 A124 V125 Q126 H127 | I78-V93 HydrophobicContact CG2-CG1 4.13Å; V79-V93 WeakPolarHBondContact O-CA 3.44Å; L80-V93 HydrophobicContact CD1-CG2 3.57Å; V93-T113 HydrophobicContact CB-CG2 4.23Å; V93-T113 HydrophobicContact CG1-CG2 3.57Å; V93-L116 HydrophobicContact CG1-CD2 3.84Å; V93-L116 HydrophobicContact CG2-CD2 3.83Å; V93-L116 HydrophobicContact CG2-CG 4.14Å; V93-L120 HydrophobicContact CG2-CD1 4.32Å; V93-A124 HydrophobicContact CB-CB 4.38Å; V93-A124 HydrophobicContact CG2-CB 3.62Å; V93-V125 PolarHBondContact N-O 3.48Å; V93-Q126 CarbonylContact O-C 3.59Å; V93-Q126 WeakPolarHBondContact O-CA 3.36Å; V93-H127 PolarHBondContact O-N 2.73Å |
| 94 | H | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.5 | 178.1 | -54 | -111.7 | 0 | 0 | 0 | 109.1 | I78 V79 D92 H127 E129 F138 Y141 | I78-H94 CarbonylContact C-O 3.54Å; I78-H94 VanDerWaalsContact CA-O 3.3Å; I78-H94 WeakPolarHBondContact CA-O 3.48Å; V79-H94 HydrophobicContact CB-CB 4.25Å; V79-H94 PolarHBondContact N-O 3.31Å; V79-H94 PolarHBondContact O-N 2.96Å; D92-H94 WeakPolarHBondContact CB-NE2 3.47Å; H94-H127 WeakPolarHBondContact CA-O 3.49Å; H94-H127 HydrophobicContact CB-CB 4.12Å; H94-H127 AromaticContact CD2-CD2 3.87Å; H94-H127 AromaticContact CE1-CD2 3.34Å; H94-H127 PolarHBondContact CE1-CD2 2.8Å; H94-H127 AromaticContact CE1-CE1 3.9Å; H94-H127 AromaticContact CE1-CG 3.25Å; H94-H127 AromaticContact CE1-ND1 3.63Å; H94-H127 AromaticContact CE1-NE2 3.8Å; H94-H127 WeakPolarHBondContact ND1-CB 3.47Å; H94-H127 AromaticContact ND1-CD2 3.8Å; H94-H127 AromaticContact ND1-CG 3.43Å; H94-H127 AromaticContact NE2-CD2 3.37Å; H94-H127 PolarHBondContact NE2-CD2 3.14Å; H94-H127 AromaticContact NE2-CG 3.78Å; H94-H127 AromaticContact NE2-NE2 3.8Å; H94-E129 HydrophobicContact CB-CG 3.98Å; H94-E129 IonicContact CE1-OE1 2.78Å; H94-E129 PolarHBondContact CE1-OE1 3.41Å; H94-E129 IonicContact CG-OE1 2.71Å; H94-E129 IonicContact ND1-OE1 3.55Å; H94-E129 PolarHBondContact ND1-OE1 3.39Å; H94-F138 HydrophobicContact CB-CD2 3.83Å; H94-F138 HydrophobicContact CB-CE2 3.87Å; H94-F138 AromaticContact CG-CD2 3.62Å; H94-F138 AromaticContact ND1-CD2 3.51Å; H94-Y141 AromaticContact CD2-CE2 3.79Å; H94-Y141 AromaticContact CE1-CE2 3.8Å; H94-Y141 AromaticContact NE2-CE2 3.31Å; H94-Y141 VanDerWaalsContact NE2-CE2 3.31Å; H94-Y141 WeakPolarHBondContact NE2-CE2 3.08Å; H94-Y141 AromaticContact NE2-CZ 3.71Å; H94-Y141 PolarHBondContact NE2-OH 3.48Å |
| 95 | F | 96.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.6 | 155.2 | 62.4 | -72.4 | 0 | 0 | 0 | 109.2 | Y77 I97 A109 A110 T113 H127 R128 E129 L330 | Y77-F95 CarbonylContact O-C 3.52Å; Y77-F95 VanDerWaalsContact O-CA 3.23Å; Y77-F95 WeakPolarHBondContact O-CA 3.3Å; F95-I97 HydrophobicContact CD2-CD1 4.13Å; F95-I97 HydrophobicContact CD2-CG1 3.96Å; F95-I97 HydrophobicContact CE2-CD1 3.84Å; F95-I97 HydrophobicContact CE2-CG1 4.2Å; F95-A109 HydrophobicContact CB-CB 3.88Å; F95-A110 HydrophobicContact CD2-CB 4.22Å; F95-A110 HydrophobicContact CE2-CB 3.93Å; F95-A110 HydrophobicContact CZ-CB 4.22Å; F95-T113 WeakPolarHBondContact CB-OG1 3.26Å; F95-T113 HydrophobicContact CD1-CG2 4.04Å; F95-H127 WeakPolarHBondContact CD1-O 3.44Å; F95-H127 WeakPolarHBondContact CE1-O 3.17Å; F95-H127 PolarHBondContact N-O 2.9Å; F95-R128 HydrophobicContact CD2-CG 4.48Å; F95-R128 HydrophobicContact CE1-CB 3.74Å; F95-R128 HydrophobicContact CE1-CG 4.23Å; F95-R128 HydrophobicContact CE2-CB 4.11Å; F95-R128 HydrophobicContact CE2-CG 3.64Å; F95-R128 HydrophobicContact CZ-CB 3.44Å; F95-R128 VanDerWaalsContact CZ-CB 3.44Å; F95-R128 HydrophobicContact CZ-CG 3.47Å; F95-R128 VanDerWaalsContact CZ-CG 3.47Å; F95-E129 PolarHBondContact O-N 3.27Å; F95-L330 HydrophobicContact CE1-CD1 4.43Å; F95-L330 HydrophobicContact CE1-CD2 3.73Å; F95-L330 HydrophobicContact CZ-CD1 4.45Å; F95-L330 HydrophobicContact CZ-CD2 3.82Å |
| 96 | W | 97.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 131.5 | 178.4 | -176.9 | 96.3 | 0 | 0 | 0 | 109.7 | F71 F72 D75 S76 Y77 G98 E129 D131 E134 F138 F145 T147 | F71-W96 HydrophobicContact CB-CD2 4.39Å; F71-W96 HydrophobicContact CB-CE3 4.3Å; F71-W96 HydrophobicContact CB-CH2 3.78Å; F71-W96 HydrophobicContact CB-CZ2 3.91Å; F71-W96 HydrophobicContact CB-CZ3 4Å; F71-W96 AromaticContact CD1-CD2 3.94Å; F71-W96 HydrophobicContact CD1-CD2 3.94Å; F71-W96 HydrophobicContact CD1-CE3 4.02Å; F71-W96 HydrophobicContact CD1-CG 4.18Å; F71-W96 HydrophobicContact CE1-CB 4.46Å; F71-W96 HydrophobicContact CE1-CG 4.49Å; F71-W96 HydrophobicContact CG-CD2 4.39Å; F72-W96 WeakPolarHBondContact O-CZ3 3.48Å; D75-W96 WeakPolarHBondContact O-CZ3 3.49Å; S76-W96 VanDerWaalsContact CA-O 3.28Å; S76-W96 WeakPolarHBondContact CA-O 3.33Å; Y77-W96 AromaticContact CD2-CE3 3.7Å; Y77-W96 HydrophobicContact CD2-CE3 3.7Å; Y77-W96 HydrophobicContact CD2-CZ3 4.04Å; Y77-W96 HydrophobicContact CE2-CE3 4.25Å; Y77-W96 HydrophobicContact CE2-CZ3 4.12Å; Y77-W96 PolarHBondContact N-O 3.23Å; Y77-W96 PolarHBondContact O-N 3.29Å; W96-G98 VanDerWaalsContact CH2-CA 3.47Å; W96-E129 WeakPolarHBondContact CA-O 3.38Å; W96-E129 HydrophobicContact CB-CB 4.18Å; W96-E129 HydrophobicContact CG-CB 4.29Å; W96-D131 HydrophobicContact CH2-CB 3.89Å; W96-D131 HydrophobicContact CZ2-CB 3.44Å; W96-D131 VanDerWaalsContact CZ2-CB 3.44Å; W96-E134 PolarHBondContact NE1-OE1 2.72Å; W96-F138 HydrophobicContact CB-CZ 3.94Å; W96-F138 AromaticContact CD1-CE1 3.47Å; W96-F138 VanDerWaalsContact CD1-CE1 3.47Å; W96-F138 AromaticContact CD1-CZ 3.74Å; W96-F138 HydrophobicContact CG-CE1 4.23Å; W96-F138 HydrophobicContact CG-CZ 4.07Å; W96-F145 AromaticContact NE1-CZ 3.84Å; W96-T147 HydrophobicContact CH2-CG2 4.43Å; W96-T147 HydrophobicContact CZ2-CG2 4.15Å |
| 97 | I | 95.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 112.7 | -176.2 | -50.6 | 177.8 | 0 | 0 | 0 | 109.2 | F95 Y106 R128 E129 D131 | F95-I97 HydrophobicContact CD2-CD1 4.13Å; F95-I97 HydrophobicContact CD2-CG1 3.96Å; F95-I97 HydrophobicContact CE2-CD1 3.84Å; F95-I97 HydrophobicContact CE2-CG1 4.2Å; I97-Y106 HydrophobicContact CD1-CD2 4.38Å; I97-Y106 HydrophobicContact CD1-CG 4.47Å; I97-Y106 HydrophobicContact CG2-CD1 4.33Å; I97-Y106 HydrophobicContact CG2-CG 4.19Å; I97-R128 HydrophobicContact CD1-CG 4.16Å; I97-E129 PolarHBondContact N-O 3.3Å; I97-D131 WeakPolarHBondContact O-CB 3.5Å; I97-D131 PolarHBondContact O-N 3.44Å |
| 98 | G | 95.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | -66.6 | 139.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R73 D75 W96 E100 S101 | R73-G98 CarbonylContact O-C 3.58Å; R73-G98 WeakPolarHBondContact O-CA 3.17Å; D75-G98 VanDerWaalsContact O-CA 3.32Å; D75-G98 WeakPolarHBondContact O-CA 3.49Å; D75-G98 PolarHBondContact O-N 2.92Å; W96-G98 VanDerWaalsContact CH2-CA 3.47Å; G98-E100 PolarHBondContact O-N 2.88Å; G98-E100 VanDerWaalsContact O-N 3.1Å; G98-S101 VanDerWaalsContact O-CB 3.23Å; G98-S101 WeakPolarHBondContact O-CB 3.45Å; G98-S101 PolarHBondContact O-N 3.24Å | ||
| 99 | R | 91.3 | Very high | 91.7 | Very high | 115 Ų | 115 | 31.3 Ų | 31.3 | 43% | 0.434 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.1 | -176.7 | 77 | 160.4 | 115.9 | 121.2 | 5.7 | 114.5 | R73 D131 | R73-R99 VanDerWaalsContact NH1-CG 3.3Å; R73-R99 PolarHBondContact O-N 3.33Å; R73-R99 VanDerWaalsContact O-N 3.11Å; R99-D131 HydrophobicContact CB-CB 4.25Å; R99-D131 WeakPolarHBondContact CB-OD2 3.31Å; R99-D131 VanDerWaalsContact CG-OD2 3.28Å; R99-D131 WeakPolarHBondContact CG-OD2 2.9Å; R99-D131 PolarHBondContact N-OD2 3.07Å; R99-D131 IonicContact NE-OD2 3.84Å |
| 100 | E | 91.3 | Very high | 91.5 | Very high | 103 Ų | 103 | 29.8 Ų | 29.8 | 48% | 0.481 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 4.9 | 177 | -69.4 | 156.8 | -142 | 0 | 0 | 111.9 | R73 G98 | R73-E100 IonicContact NH1-OE1 3.77Å; R73-E100 CarbonylContact O-C 3.6Å; R73-E100 WeakPolarHBondContact O-CA 3.36Å; R73-E100 WeakPolarHBondContact O-CB 3.46Å; R73-E100 PolarHBondContact O-N 2.82Å; G98-E100 PolarHBondContact O-N 2.88Å; G98-E100 VanDerWaalsContact O-N 3.1Å |
| 101 | S | 91.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | trans | -69.2 | 149.4 | 179.1 | -172 | 0 | 0 | 0 | 0 | 111.9 | R73 G74 D75 S76 G98 E105 | R73-S101 PolarHBondContact O-N 2.88Å; G74-S101 WeakPolarHBondContact O-CA 3.4Å; D75-S101 VanDerWaalsContact C-OG 3.26Å; D75-S101 WeakPolarHBondContact O-CB 3.19Å; S76-S101 PolarHBondContact N-OG 3.44Å; S76-S101 PolarHBondContact OG-OG 2.88Å; G98-S101 VanDerWaalsContact O-CB 3.23Å; G98-S101 WeakPolarHBondContact O-CB 3.45Å; G98-S101 PolarHBondContact O-N 3.24Å; S101-E105 VanDerWaalsContact OG-CB 3.29Å; S101-E105 WeakPolarHBondContact OG-CB 3.29Å; S101-E105 PolarHBondContact OG-OE2 2.94Å | ||
| 102 | T | 87.8 | Confident | 91 | Very high | 50 Ų | 50 | 30 Ų | 30 | 31% | 0.307 | 16% | 0.158 | S | C | . | . | trans | -77.4 | 157 | -179.7 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | D104 E105 Y106 | T102-D104 VanDerWaalsContact C-N 3.26Å; T102-D104 VanDerWaalsContact CB-OD1 3.23Å; T102-D104 WeakPolarHBondContact CB-OD1 3.29Å; T102-D104 PolarHBondContact O-N 2.92Å; T102-D104 PolarHBondContact OG1-OD1 2.9Å; T102-D104 VanDerWaalsContact OG1-OD1 3.05Å; T102-E105 PolarHBondContact N-OE2 2.89Å; T102-E105 PolarHBondContact O-N 2.87Å; T102-E105 WeakPolarHBondContact OG1-CB 3.48Å; T102-E105 WeakPolarHBondContact OG1-CG 3.28Å; T102-E105 PolarHBondContact OG1-N 2.97Å; T102-E105 PolarHBondContact OG1-OE2 3.31Å; T102-Y106 WeakPolarHBondContact O-CD1 3.29Å; T102-Y106 PolarHBondContact O-N 2.84Å | ||
| 103 | A | 83.2 | Confident | 90.7 | Very high | 52 Ų | 52 | 28.9 Ų | 28.9 | 43% | 0.43 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.7 | -36.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | T15 Y106 G107 | T15-A103 HydrophobicContact CG2-CB 3.96Å; A103-Y106 VanDerWaalsContact CA-CE1 3.45Å; A103-Y106 HydrophobicContact CB-CE1 4.2Å; A103-G107 PolarHBondContact O-N 2.9Å; A103-G107 VanDerWaalsContact O-N 3.1Å |
| 104 | D | 85.4 | Confident | 90.2 | Very high | 71 Ų | 71 | 30.8 Ų | 30.8 | 38% | 0.38 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -70.9 | -37.5 | 176.4 | 54.2 | -67.1 | 0 | 0 | 0 | 113 | F58 T102 T108 | F58-D104 HydrophobicContact CE1-CB 3.64Å; F58-D104 HydrophobicContact CE2-CB 4.49Å; F58-D104 HydrophobicContact CZ-CB 3.51Å; T102-D104 VanDerWaalsContact C-N 3.26Å; T102-D104 VanDerWaalsContact CB-OD1 3.23Å; T102-D104 WeakPolarHBondContact CB-OD1 3.29Å; T102-D104 PolarHBondContact O-N 2.92Å; T102-D104 PolarHBondContact OG1-OD1 2.9Å; T102-D104 VanDerWaalsContact OG1-OD1 3.05Å; D104-T108 WeakPolarHBondContact O-CB 3.45Å; D104-T108 PolarHBondContact O-N 2.81Å; D104-T108 PolarHBondContact O-OG1 2.83Å |
| 105 | E | 86.8 | Confident | 89.8 | Confident | 12 Ų | 12 | 30.8 Ų | 30.8 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.4 | -52.1 | 178.4 | -79.5 | 167.9 | 156 | 0 | 0 | 112.4 | I55 S101 T102 G107 T108 A109 | I55-E105 HydrophobicContact CG2-CB 4.29Å; I55-E105 HydrophobicContact CG2-CG 4.18Å; S101-E105 VanDerWaalsContact OG-CB 3.29Å; S101-E105 WeakPolarHBondContact OG-CB 3.29Å; S101-E105 PolarHBondContact OG-OE2 2.94Å; T102-E105 PolarHBondContact N-OE2 2.89Å; T102-E105 PolarHBondContact O-N 2.87Å; T102-E105 WeakPolarHBondContact OG1-CB 3.48Å; T102-E105 WeakPolarHBondContact OG1-CG 3.28Å; T102-E105 PolarHBondContact OG1-N 2.97Å; T102-E105 PolarHBondContact OG1-OE2 3.31Å; E105-G107 VanDerWaalsContact C-N 3.35Å; E105-T108 WeakPolarHBondContact O-CB 3.23Å; E105-T108 PolarHBondContact O-N 3.13Å; E105-A109 PolarHBondContact O-N 2.84Å |
| 106 | Y | 87.4 | Confident | 89.6 | Confident | 16 Ų | 16 | 30.6 Ų | 30.6 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.3 | -31.4 | -179.7 | 78.3 | -106.1 | 0 | 0 | 0 | 112 | W12 T15 S76 I97 T102 A103 T108 A109 A110 | W12-Y106 WeakPolarHBondContact CA-OH 3.25Å; W12-Y106 HydrophobicContact CB-CE1 4.41Å; W12-Y106 WeakPolarHBondContact CB-OH 3.3Å; W12-Y106 PolarHBondContact O-OH 2.89Å; T15-Y106 WeakPolarHBondContact CB-OH 3.44Å; T15-Y106 HydrophobicContact CG2-CE1 4.27Å; T15-Y106 HydrophobicContact CG2-CE2 3.69Å; T15-Y106 WeakPolarHBondContact CG2-OH 3.37Å; T15-Y106 VanDerWaalsContact OG1-CE2 3.31Å; T15-Y106 WeakPolarHBondContact OG1-CE2 3.45Å; T15-Y106 PolarHBondContact OG1-OH 3.1Å; S76-Y106 WeakPolarHBondContact OG-CA 3.27Å; S76-Y106 WeakPolarHBondContact OG-CB 3.45Å; S76-Y106 PolarHBondContact OG-N 2.85Å; I97-Y106 HydrophobicContact CD1-CD2 4.38Å; I97-Y106 HydrophobicContact CD1-CG 4.47Å; I97-Y106 HydrophobicContact CG2-CD1 4.33Å; I97-Y106 HydrophobicContact CG2-CG 4.19Å; T102-Y106 WeakPolarHBondContact O-CD1 3.29Å; T102-Y106 PolarHBondContact O-N 2.84Å; A103-Y106 VanDerWaalsContact CA-CE1 3.45Å; A103-Y106 HydrophobicContact CB-CE1 4.2Å; Y106-T108 VanDerWaalsContact C-N 3.28Å; Y106-T108 PolarHBondContact O-N 3.05Å; Y106-A109 PolarHBondContact O-N 3.44Å; Y106-A110 WeakPolarHBondContact O-CB 3.37Å; Y106-A110 PolarHBondContact O-N 2.81Å |
| 107 | G | 85.8 | Confident | 89.1 | Confident | 25 Ų | 25 | 31.2 Ų | 31.2 | 26% | 0.258 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.3 | -41.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A103 E105 Y111 | A103-G107 PolarHBondContact O-N 2.9Å; A103-G107 VanDerWaalsContact O-N 3.1Å; E105-G107 VanDerWaalsContact C-N 3.35Å; G107-Y111 WeakPolarHBondContact O-CB 3.47Å; G107-Y111 PolarHBondContact O-N 2.91Å |
| 108 | T | 90.2 | Very high | 88.7 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 172.6 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | I55 F58 D104 E105 Y106 A110 Y111 K112 | I55-T108 HydrophobicContact CD1-CG2 4.14Å; I55-T108 HydrophobicContact CG2-CG2 3.98Å; F58-T108 WeakPolarHBondContact CD1-OG1 3.44Å; D104-T108 WeakPolarHBondContact O-CB 3.45Å; D104-T108 PolarHBondContact O-N 2.81Å; D104-T108 PolarHBondContact O-OG1 2.83Å; E105-T108 WeakPolarHBondContact O-CB 3.23Å; E105-T108 PolarHBondContact O-N 3.13Å; Y106-T108 VanDerWaalsContact C-N 3.28Å; Y106-T108 PolarHBondContact O-N 3.05Å; T108-A110 VanDerWaalsContact C-N 3.35Å; T108-A110 PolarHBondContact O-N 2.85Å; T108-Y111 PolarHBondContact O-N 2.82Å; T108-K112 HydrophobicContact CG2-CG 4.07Å; T108-K112 VanDerWaalsContact O-CB 3.3Å; T108-K112 WeakPolarHBondContact O-CB 3.38Å; T108-K112 WeakPolarHBondContact O-CG 3.28Å; T108-K112 PolarHBondContact O-N 2.93Å |
| 109 | A | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I55 I78 F95 E105 Y106 T113 | I55-A109 HydrophobicContact CD1-CB 4.38Å; I55-A109 HydrophobicContact CG1-CB 3.95Å; I78-A109 HydrophobicContact CG1-CB 4.35Å; F95-A109 HydrophobicContact CB-CB 3.88Å; E105-A109 PolarHBondContact O-N 2.84Å; Y106-A109 PolarHBondContact O-N 3.44Å; A109-T113 WeakPolarHBondContact O-CB 3.36Å; A109-T113 PolarHBondContact O-N 3.01Å; A109-T113 PolarHBondContact O-OG1 2.84Å |
| 110 | A | 87.5 | Confident | 88.4 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -47.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L17 F95 Y106 T108 K112 T113 V114 | L17-A110 HydrophobicContact CD2-CB 3.62Å; F95-A110 HydrophobicContact CD2-CB 4.22Å; F95-A110 HydrophobicContact CE2-CB 3.93Å; F95-A110 HydrophobicContact CZ-CB 4.22Å; Y106-A110 WeakPolarHBondContact O-CB 3.37Å; Y106-A110 PolarHBondContact O-N 2.81Å; T108-A110 VanDerWaalsContact C-N 3.35Å; T108-A110 PolarHBondContact O-N 2.85Å; A110-K112 PolarHBondContact O-N 3.2Å; A110-T113 WeakPolarHBondContact O-CB 3.33Å; A110-T113 PolarHBondContact O-N 2.89Å; A110-V114 PolarHBondContact O-N 3.2Å |
| 111 | Y | 86.3 | Confident | 88.1 | Confident | 78 Ų | 78 | 24.1 Ų | 24.1 | 31% | 0.306 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 177 | 174.8 | -92.5 | 0 | 0 | 0 | 112.1 | F20 G107 T108 T113 V114 E115 | F20-Y111 HydrophobicContact CE1-CE2 4.34Å; F20-Y111 HydrophobicContact CE2-CD2 4.14Å; F20-Y111 HydrophobicContact CE2-CE2 4.34Å; F20-Y111 HydrophobicContact CZ-CD2 4.16Å; F20-Y111 AromaticContact CZ-CE2 3.99Å; F20-Y111 HydrophobicContact CZ-CE2 3.99Å; G107-Y111 WeakPolarHBondContact O-CB 3.47Å; G107-Y111 PolarHBondContact O-N 2.91Å; T108-Y111 PolarHBondContact O-N 2.82Å; Y111-T113 VanDerWaalsContact C-N 3.29Å; Y111-T113 PolarHBondContact O-N 2.84Å; Y111-V114 PolarHBondContact O-N 2.78Å; Y111-E115 HydrophobicContact CE1-CB 4.46Å; Y111-E115 PolarHBondContact O-N 2.92Å |
| 112 | K | 90.6 | Very high | 87.8 | Confident | 20 Ų | 20 | 25.8 Ų | 25.8 | 9% | 0.087 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.9 | -28.5 | -178.6 | -75.3 | -63.8 | -175.4 | 179 | 0 | 112.6 | E36 W39 L60 I78 T108 A110 E115 L116 | E36-K112 IonicContact OE2-NZ 3.84Å; E36-K112 PolarHBondContact OE2-NZ 3.16Å; W39-K112 HydrophobicContact CZ2-CB 4.26Å; W39-K112 HydrophobicContact CZ2-CD 4.29Å; L60-K112 HydrophobicContact CD1-CD 3.98Å; L60-K112 HydrophobicContact CD1-CG 4.23Å; L60-K112 HydrophobicContact CG-CG 4.46Å; I78-K112 HydrophobicContact CD1-CB 3.28Å; I78-K112 HydrophobicContact CD1-CG 4.37Å; T108-K112 HydrophobicContact CG2-CG 4.07Å; T108-K112 VanDerWaalsContact O-CB 3.3Å; T108-K112 WeakPolarHBondContact O-CB 3.38Å; T108-K112 WeakPolarHBondContact O-CG 3.28Å; T108-K112 PolarHBondContact O-N 2.93Å; A110-K112 PolarHBondContact O-N 3.2Å; K112-E115 WeakPolarHBondContact CD-OE1 3.47Å; K112-E115 IonicContact NZ-OE1 2.73Å; K112-E115 PolarHBondContact NZ-OE1 3.21Å; K112-E115 IonicContact NZ-OE2 3.63Å; K112-E115 PolarHBondContact O-N 2.94Å; K112-L116 WeakPolarHBondContact O-CB 3.41Å; K112-L116 PolarHBondContact O-N 3.25Å |
| 113 | T | 90.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 170.9 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | V93 F95 A109 A110 Y111 E115 L116 D117 Q126 | V93-T113 HydrophobicContact CB-CG2 4.23Å; V93-T113 HydrophobicContact CG1-CG2 3.57Å; F95-T113 WeakPolarHBondContact CB-OG1 3.26Å; F95-T113 HydrophobicContact CD1-CG2 4.04Å; A109-T113 WeakPolarHBondContact O-CB 3.36Å; A109-T113 PolarHBondContact O-N 3.01Å; A109-T113 PolarHBondContact O-OG1 2.84Å; A110-T113 WeakPolarHBondContact O-CB 3.33Å; A110-T113 PolarHBondContact O-N 2.89Å; Y111-T113 VanDerWaalsContact C-N 3.29Å; Y111-T113 PolarHBondContact O-N 2.84Å; T113-E115 VanDerWaalsContact C-N 3.34Å; T113-L116 PolarHBondContact O-N 2.88Å; T113-D117 PolarHBondContact O-N 3.46Å; T113-Q126 HydrophobicContact CG2-CB 4.28Å; T113-Q126 HydrophobicContact CG2-CG 4.31Å |
| 114 | V | 85.1 | Confident | 88.1 | Confident | 39 Ų | 39 | 25.4 Ų | 25.4 | 24% | 0.236 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.5 | -37.7 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | A110 Y111 D117 T118 | A110-V114 PolarHBondContact O-N 3.2Å; Y111-V114 PolarHBondContact O-N 2.78Å; V114-D117 PolarHBondContact O-N 3.1Å; V114-T118 PolarHBondContact O-N 3.26Å; V114-T118 PolarHBondContact O-OG1 3.47Å |
| 115 | E | 88.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.3 | -172.4 | -175.5 | 70.9 | 0 | 0 | 111.5 | S32 A33 W39 Y111 K112 T113 T118 F119 | S32-E115 WeakPolarHBondContact CB-OE2 3.46Å; S32-E115 PolarHBondContact OG-OE2 3.3Å; A33-E115 HydrophobicContact CB-CG 3.47Å; A33-E115 VanDerWaalsContact CB-CG 3.47Å; W39-E115 PolarHBondContact NE1-OE1 3.32Å; Y111-E115 HydrophobicContact CE1-CB 4.46Å; Y111-E115 PolarHBondContact O-N 2.92Å; K112-E115 WeakPolarHBondContact CD-OE1 3.47Å; K112-E115 IonicContact NZ-OE1 2.73Å; K112-E115 PolarHBondContact NZ-OE1 3.21Å; K112-E115 IonicContact NZ-OE2 3.63Å; K112-E115 PolarHBondContact O-N 2.94Å; T113-E115 VanDerWaalsContact C-N 3.34Å; E115-T118 WeakPolarHBondContact O-CB 3.32Å; E115-T118 PolarHBondContact O-N 3.29Å; E115-F119 PolarHBondContact O-N 2.92Å |
| 116 | L | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.1 | 176.6 | 57.8 | 0 | 0 | 0 | 112.2 | W39 L80 V93 K112 T113 T118 F119 L120 | W39-L116 HydrophobicContact CD2-CB 4.41Å; W39-L116 HydrophobicContact CD2-CD1 3.81Å; W39-L116 HydrophobicContact CE3-CD1 3.74Å; W39-L116 HydrophobicContact CE3-CD2 4.26Å; W39-L116 HydrophobicContact CE3-CG 4.42Å; W39-L116 HydrophobicContact CG-CD1 4.23Å; W39-L116 HydrophobicContact CH2-CB 4.01Å; W39-L116 HydrophobicContact CH2-CD2 3.95Å; W39-L116 HydrophobicContact CH2-CG 4.39Å; W39-L116 HydrophobicContact CZ2-CB 3.79Å; W39-L116 HydrophobicContact CZ3-CB 4.42Å; W39-L116 HydrophobicContact CZ3-CD1 4.13Å; W39-L116 HydrophobicContact CZ3-CD2 3.79Å; W39-L116 HydrophobicContact CZ3-CG 4.34Å; L80-L116 HydrophobicContact CB-CD2 4.27Å; L80-L116 HydrophobicContact CD1-CD2 4.44Å; L80-L116 HydrophobicContact CD2-CD2 4.26Å; V93-L116 HydrophobicContact CG1-CD2 3.84Å; V93-L116 HydrophobicContact CG2-CD2 3.83Å; V93-L116 HydrophobicContact CG2-CG 4.14Å; K112-L116 WeakPolarHBondContact O-CB 3.41Å; K112-L116 PolarHBondContact O-N 3.25Å; T113-L116 PolarHBondContact O-N 2.88Å; L116-T118 VanDerWaalsContact C-N 3.3Å; L116-T118 PolarHBondContact O-N 3.2Å; L116-F119 HydrophobicContact CD1-CD1 4.2Å; L116-F119 VanDerWaalsContact O-CB 3.32Å; L116-F119 WeakPolarHBondContact O-CB 3.39Å; L116-F119 PolarHBondContact O-N 2.9Å; L116-L120 HydrophobicContact CD1-CD1 4.05Å; L116-L120 HydrophobicContact CD1-CG 4.16Å; L116-L120 HydrophobicContact CG-CD1 4.06Å; L116-L120 WeakPolarHBondContact O-CB 3.39Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.5Å; L116-L120 PolarHBondContact O-N 3.43Å |
| 117 | D | 88.5 | Confident | 89.1 | Confident | 13 Ų | 13 | 22 Ų | 22 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 174.3 | -175.1 | 29.8 | 0 | 0 | 0 | 111.3 | T113 V114 F119 L120 D121 D122 K123 A124 Q126 | T113-D117 PolarHBondContact O-N 3.46Å; V114-D117 PolarHBondContact O-N 3.1Å; D117-F119 VanDerWaalsContact C-N 3.3Å; D117-F119 PolarHBondContact O-N 3.06Å; D117-L120 CarbonylContact O-C 3.51Å; D117-L120 WeakPolarHBondContact O-CA 3.09Å; D117-L120 PolarHBondContact O-N 2.92Å; D117-D121 PolarHBondContact O-N 3.06Å; D117-D122 WeakPolarHBondContact O-CA 3.45Å; D117-D122 PolarHBondContact O-N 2.93Å; D117-D122 VanDerWaalsContact OD1-C 3.29Å; D117-D122 VanDerWaalsContact OD1-CA 3.26Å; D117-D122 WeakPolarHBondContact OD1-CA 3.41Å; D117-K123 PolarHBondContact OD1-N 3.05Å; D117-A124 HydrophobicContact CB-CB 4.23Å; D117-A124 WeakPolarHBondContact OD1-CA 3.32Å; D117-A124 VanDerWaalsContact OD1-CB 3.29Å; D117-A124 WeakPolarHBondContact OD1-CB 3.45Å; D117-A124 PolarHBondContact OD1-N 3.33Å; D117-Q126 HydrophobicContact CB-CG 4.32Å; D117-Q126 PolarHBondContact OD2-NE2 3.35Å |
| 118 | T | 85.7 | Confident | 89.5 | Confident | 10 Ų | 10 | 21 Ų | 21 | 6% | 0.061 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 174.4 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | K29 K30 V114 E115 L116 L120 D121 | K29-T118 HydrophobicContact CB-CG2 4.48Å; K30-T118 HydrophobicContact CB-CG2 4.14Å; V114-T118 PolarHBondContact O-N 3.26Å; V114-T118 PolarHBondContact O-OG1 3.47Å; E115-T118 WeakPolarHBondContact O-CB 3.32Å; E115-T118 PolarHBondContact O-N 3.29Å; L116-T118 VanDerWaalsContact C-N 3.3Å; L116-T118 PolarHBondContact O-N 3.2Å; T118-L120 VanDerWaalsContact C-N 3.27Å; T118-L120 PolarHBondContact O-N 3.29Å; T118-D121 PolarHBondContact O-N 2.79Å; T118-D121 VanDerWaalsContact O-N 3.16Å |
| 119 | F | 90.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.7 | -36.6 | 174.5 | -178.9 | -104.7 | 0 | 0 | 0 | 112.4 | A33 E34 W39 V42 R43 E115 L116 D117 D121 | A33-F119 HydrophobicContact CB-CB 3.89Å; A33-F119 HydrophobicContact CB-CD2 4.22Å; E34-F119 WeakPolarHBondContact OE2-CE2 3.48Å; W39-F119 HydrophobicContact CB-CD1 3.92Å; W39-F119 HydrophobicContact CB-CD2 4.28Å; W39-F119 HydrophobicContact CB-CE1 3.75Å; W39-F119 HydrophobicContact CB-CE2 4.12Å; W39-F119 HydrophobicContact CB-CG 4.16Å; W39-F119 HydrophobicContact CB-CZ 3.84Å; W39-F119 WeakPolarHBondContact O-CE1 3.43Å; V42-F119 HydrophobicContact CB-CE1 4.19Å; R43-F119 HydrophobicContact CB-CZ 4.46Å; R43-F119 HydrophobicContact CG-CE1 3.63Å; R43-F119 HydrophobicContact CG-CE2 4.47Å; R43-F119 HydrophobicContact CG-CZ 3.51Å; R43-F119 VanDerWaalsContact NE-CZ 3.31Å; R43-F119 PolarHBondContact NH2-O 3.37Å; E115-F119 PolarHBondContact O-N 2.92Å; L116-F119 HydrophobicContact CD1-CD1 4.2Å; L116-F119 VanDerWaalsContact O-CB 3.32Å; L116-F119 WeakPolarHBondContact O-CB 3.39Å; L116-F119 PolarHBondContact O-N 2.9Å; D117-F119 VanDerWaalsContact C-N 3.3Å; D117-F119 PolarHBondContact O-N 3.06Å; F119-D121 PolarHBondContact O-N 3.23Å |
| 120 | L | 90.5 | Very high | 90 | Very high | 11 Ų | 11 | 21 Ų | 21 | 6% | 0.058 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 12.3 | 176.8 | -66.6 | 172.6 | 0 | 0 | 0 | 113.4 | V42 L80 Y91 V93 L116 D117 T118 K123 A124 | V42-L120 HydrophobicContact CG1-CD2 3.77Å; L80-L120 HydrophobicContact CD1-CD1 4.22Å; Y91-L120 HydrophobicContact CD1-CD1 3.88Å; Y91-L120 HydrophobicContact CD1-CD2 4.02Å; Y91-L120 HydrophobicContact CE1-CD1 4.49Å; Y91-L120 HydrophobicContact CE1-CD2 3.78Å; Y91-L120 HydrophobicContact CE2-CD2 4.43Å; Y91-L120 HydrophobicContact CG-CD1 3.91Å; Y91-L120 HydrophobicContact CG-CD2 4.46Å; V93-L120 HydrophobicContact CG2-CD1 4.32Å; L116-L120 HydrophobicContact CD1-CD1 4.05Å; L116-L120 HydrophobicContact CD1-CG 4.16Å; L116-L120 HydrophobicContact CG-CD1 4.06Å; L116-L120 WeakPolarHBondContact O-CB 3.39Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.5Å; L116-L120 PolarHBondContact O-N 3.43Å; D117-L120 CarbonylContact O-C 3.51Å; D117-L120 WeakPolarHBondContact O-CA 3.09Å; D117-L120 PolarHBondContact O-N 2.92Å; T118-L120 VanDerWaalsContact C-N 3.27Å; T118-L120 PolarHBondContact O-N 3.29Å; L120-K123 WeakPolarHBondContact O-CB 3.49Å; L120-K123 WeakPolarHBondContact O-CG 3.37Å; L120-A124 HydrophobicContact CD1-CB 4.23Å |
| 121 | D | 86.5 | Confident | 90.3 | Very high | 67 Ų | 67 | 21.3 Ų | 21.3 | 36% | 0.358 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 40.4 | -178.5 | -57.4 | -58.4 | 0 | 0 | 0 | 113.7 | K30 D117 T118 F119 K123 | K30-D121 IonicContact NZ-OD1 3.71Å; K30-D121 PolarHBondContact NZ-OD1 3.25Å; D117-D121 PolarHBondContact O-N 3.06Å; T118-D121 PolarHBondContact O-N 2.79Å; T118-D121 VanDerWaalsContact O-N 3.16Å; F119-D121 PolarHBondContact O-N 3.23Å; D121-K123 HydrophobicContact CB-CG 4.39Å; D121-K123 WeakPolarHBondContact O-CG 3.14Å; D121-K123 PolarHBondContact O-N 2.76Å |
| 122 | D | 84.8 | Confident | 90.6 | Very high | 56 Ų | 56 | 19.9 Ų | 19.9 | 30% | 0.299 | 11% | 0.114 | S | C | . | . | S | Bend | trans | 58.3 | 35.2 | 179.1 | -49.1 | -45.6 | 0 | 0 | 0 | 112.4 | R26 D117 | R26-D122 IonicContact CZ-OD2 2.68Å; R26-D122 IonicContact NE-OD2 2.62Å; R26-D122 IonicContact NH2-OD2 3.36Å; R26-D122 PolarHBondContact NH2-OD2 2.62Å; D117-D122 WeakPolarHBondContact O-CA 3.45Å; D117-D122 PolarHBondContact O-N 2.93Å; D117-D122 VanDerWaalsContact OD1-C 3.29Å; D117-D122 VanDerWaalsContact OD1-CA 3.26Å; D117-D122 WeakPolarHBondContact OD1-CA 3.41Å |
| 123 | K | 87.2 | Confident | 90.8 | Very high | 91 Ų | 91 | 21 Ų | 21 | 40% | 0.396 | 12% | 0.119 | S | C | . | . | trans | -98.8 | -9.3 | -176.2 | -64.6 | -168.6 | 178 | 173.5 | 0 | 113.5 | Y91 D117 L120 D121 R354 | Y91-K123 HydrophobicContact CD2-CB 4.18Å; Y91-K123 HydrophobicContact CE2-CB 4.47Å; D117-K123 PolarHBondContact OD1-N 3.05Å; L120-K123 WeakPolarHBondContact O-CB 3.49Å; L120-K123 WeakPolarHBondContact O-CG 3.37Å; D121-K123 HydrophobicContact CB-CG 4.39Å; D121-K123 WeakPolarHBondContact O-CG 3.14Å; D121-K123 PolarHBondContact O-N 2.76Å; K123-R354 WeakPolarHBondContact O-CD 3.29Å; K123-R354 VanDerWaalsContact O-CZ 3.23Å; K123-R354 PolarHBondContact O-NE 2.95Å | ||
| 124 | A | 90 | Very high | 91 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 149.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y91 V93 D117 L120 | Y91-A124 CarbonylContact O-C 3.14Å; Y91-A124 VanDerWaalsContact O-CA 3.29Å; Y91-A124 WeakPolarHBondContact O-CA 3.21Å; V93-A124 HydrophobicContact CB-CB 4.38Å; V93-A124 HydrophobicContact CG2-CB 3.62Å; D117-A124 HydrophobicContact CB-CB 4.23Å; D117-A124 WeakPolarHBondContact OD1-CA 3.32Å; D117-A124 VanDerWaalsContact OD1-CB 3.29Å; D117-A124 WeakPolarHBondContact OD1-CB 3.45Å; D117-A124 PolarHBondContact OD1-N 3.33Å; L120-A124 HydrophobicContact CD1-CB 4.23Å |
| 125 | V | 92 | Very high | 91.3 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 129.6 | 158.2 | -175.2 | 0 | 0 | 0 | 0 | 106.6 | Y91 V93 H127 T348 V349 V350 R354 | Y91-V125 PolarHBondContact O-N 2.68Å; V93-V125 PolarHBondContact N-O 3.48Å; V125-H127 VanDerWaalsContact CG1-NE2 3.27Å; V125-H127 WeakPolarHBondContact CG1-NE2 3.38Å; V125-H127 PolarHBondContact O-CD2 2.7Å; V125-T348 HydrophobicContact CG1-CG2 3.62Å; V125-V349 WeakPolarHBondContact CG1-O 3.14Å; V125-V350 HydrophobicContact CG1-CG2 4.21Å; V125-R354 HydrophobicContact CG2-CB 4.21Å |
| 126 | Q | 92.8 | Very high | 91.4 | Very high | 22 Ų | 22 | 25.1 Ų | 25.1 | 10% | 0.103 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 136.7 | -178.7 | -54.4 | 175.6 | 21.1 | 0 | 0 | 110 | V93 T113 D117 T348 V349 | V93-Q126 CarbonylContact O-C 3.59Å; V93-Q126 WeakPolarHBondContact O-CA 3.36Å; T113-Q126 HydrophobicContact CG2-CB 4.28Å; T113-Q126 HydrophobicContact CG2-CG 4.31Å; D117-Q126 HydrophobicContact CB-CG 4.32Å; D117-Q126 PolarHBondContact OD2-NE2 3.35Å; Q126-T348 CarbonylContact O-C 3.52Å; Q126-T348 WeakPolarHBondContact O-CA 3.35Å; Q126-V349 HydrophobicContact CB-CB 4.19Å; Q126-V349 PolarHBondContact N-O 2.75Å; Q126-V349 PolarHBondContact O-N 3.27Å |
| 127 | H | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.7 | -177.8 | -56.3 | -100.5 | 0 | 0 | 0 | 111.5 | D92 V93 H94 F95 V125 I347 T348 | D92-H127 IonicContact OD1-NE2 3.92Å; D92-H127 PolarHBondContact OD1-NE2 2.82Å; V93-H127 PolarHBondContact O-N 2.73Å; H94-H127 WeakPolarHBondContact CA-O 3.49Å; H94-H127 HydrophobicContact CB-CB 4.12Å; H94-H127 AromaticContact CD2-CD2 3.87Å; H94-H127 AromaticContact CE1-CD2 3.34Å; H94-H127 PolarHBondContact CE1-CD2 2.8Å; H94-H127 AromaticContact CE1-CE1 3.9Å; H94-H127 AromaticContact CE1-CG 3.25Å; H94-H127 AromaticContact CE1-ND1 3.63Å; H94-H127 AromaticContact CE1-NE2 3.8Å; H94-H127 WeakPolarHBondContact ND1-CB 3.47Å; H94-H127 AromaticContact ND1-CD2 3.8Å; H94-H127 AromaticContact ND1-CG 3.43Å; H94-H127 AromaticContact NE2-CD2 3.37Å; H94-H127 PolarHBondContact NE2-CD2 3.14Å; H94-H127 AromaticContact NE2-CG 3.78Å; H94-H127 AromaticContact NE2-NE2 3.8Å; F95-H127 WeakPolarHBondContact CD1-O 3.44Å; F95-H127 WeakPolarHBondContact CE1-O 3.17Å; F95-H127 PolarHBondContact N-O 2.9Å; V125-H127 VanDerWaalsContact CG1-NE2 3.27Å; V125-H127 WeakPolarHBondContact CG1-NE2 3.38Å; V125-H127 PolarHBondContact O-CD2 2.7Å; H127-I347 CarbonylContact C-O 3.31Å; H127-I347 VanDerWaalsContact CA-O 3.25Å; H127-I347 WeakPolarHBondContact CA-O 3.47Å; H127-T348 VanDerWaalsContact CE1-CG2 3.49Å; H127-T348 WeakPolarHBondContact CE1-CG2 3.47Å; H127-T348 PolarHBondContact ND1-OG1 2.87Å; H127-T348 VanDerWaalsContact ND1-OG1 3.11Å |
| 128 | R | 95.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.9 | 165.5 | -177.6 | -170.2 | 80.5 | 152.1 | -2.8 | 108.8 | F95 I97 V130 H334 L337 P343 A345 P346 I347 | F95-R128 HydrophobicContact CD2-CG 4.48Å; F95-R128 HydrophobicContact CE1-CB 3.74Å; F95-R128 HydrophobicContact CE1-CG 4.23Å; F95-R128 HydrophobicContact CE2-CB 4.11Å; F95-R128 HydrophobicContact CE2-CG 3.64Å; F95-R128 HydrophobicContact CZ-CB 3.44Å; F95-R128 VanDerWaalsContact CZ-CB 3.44Å; F95-R128 HydrophobicContact CZ-CG 3.47Å; F95-R128 VanDerWaalsContact CZ-CG 3.47Å; I97-R128 HydrophobicContact CD1-CG 4.16Å; R128-V130 HydrophobicContact CG-CG2 4.41Å; R128-H334 PolarHBondContact NH1-ND1 2.86Å; R128-H334 VanDerWaalsContact NH1-ND1 3.2Å; R128-L337 VanDerWaalsContact NH2-CD1 3.29Å; R128-P343 PolarHBondContact NH2-O 3.49Å; R128-A345 PolarHBondContact NH2-O 3.4Å; R128-P346 VanDerWaalsContact O-CA 3.31Å; R128-P346 WeakPolarHBondContact O-CA 3.4Å; R128-I347 HydrophobicContact CB-CB 3.89Å; R128-I347 HydrophobicContact CB-CD1 4.39Å; R128-I347 HydrophobicContact CB-CG1 4.23Å; R128-I347 PolarHBondContact N-O 3.23Å; R128-I347 PolarHBondContact O-N 3.03Å; R128-I347 VanDerWaalsContact O-N 3.12Å |
| 129 | E | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.3 | 174.9 | -49.6 | -62.3 | 173.9 | 0 | 0 | 109.9 | H94 F95 W96 I97 E134 S135 F138 | H94-E129 HydrophobicContact CB-CG 3.98Å; H94-E129 IonicContact CE1-OE1 2.78Å; H94-E129 PolarHBondContact CE1-OE1 3.41Å; H94-E129 IonicContact CG-OE1 2.71Å; H94-E129 IonicContact ND1-OE1 3.55Å; H94-E129 PolarHBondContact ND1-OE1 3.39Å; F95-E129 PolarHBondContact O-N 3.27Å; W96-E129 WeakPolarHBondContact CA-O 3.38Å; W96-E129 HydrophobicContact CB-CB 4.18Å; W96-E129 HydrophobicContact CG-CB 4.29Å; I97-E129 PolarHBondContact N-O 3.3Å; E129-E134 HydrophobicContact CB-CB 4.43Å; E129-E134 HydrophobicContact CB-CG 4.22Å; E129-E134 WeakPolarHBondContact OE2-CA 3.28Å; E129-S135 PolarHBondContact OE1-OG 3.38Å; E129-S135 PolarHBondContact OE2-N 3.22Å; E129-S135 PolarHBondContact OE2-OG 3.4Å; E129-F138 HydrophobicContact CG-CB 4.12Å; E129-F138 HydrophobicContact CG-CD1 4.25Å; E129-F138 HydrophobicContact CG-CD2 3.82Å; E129-F138 HydrophobicContact CG-CE2 4.2Å; E129-F138 HydrophobicContact CG-CG 3.82Å |
| 130 | V | 95.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 9% | 0.085 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.1 | 179.9 | -178 | 0 | 0 | 0 | 0 | 108.4 | R128 G132 F133 E134 F344 | R128-V130 HydrophobicContact CG-CG2 4.41Å; V130-G132 PolarHBondContact O-N 3.17Å; V130-G132 VanDerWaalsContact O-N 3.13Å; V130-F133 HydrophobicContact CB-CB 4.44Å; V130-F133 CarbonylContact O-C 3.56Å; V130-F133 VanDerWaalsContact O-C 3.31Å; V130-F133 WeakPolarHBondContact O-CA 3.34Å; V130-F133 PolarHBondContact O-N 2.8Å; V130-E134 PolarHBondContact O-N 3.18Å; V130-F344 HydrophobicContact CG1-CB 4.2Å; V130-F344 HydrophobicContact CG1-CD1 4.07Å; V130-F344 HydrophobicContact CG1-CG 4.48Å |
| 131 | D | 94.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 114.3 | 177.4 | 175.1 | 9.2 | 0 | 0 | 0 | 113.2 | R73 W96 I97 R99 E134 T147 | R73-D131 WeakPolarHBondContact CG-OD2 3.4Å; R73-D131 IonicContact CZ-OD1 3.81Å; R73-D131 IonicContact CZ-OD2 2.93Å; R73-D131 IonicContact NE-OD1 2.7Å; R73-D131 IonicContact NE-OD2 3.73Å; R73-D131 IonicContact NH1-OD2 3.73Å; R73-D131 PolarHBondContact NH1-OD2 3.3Å; R73-D131 IonicContact NH2-OD1 2.64Å; R73-D131 PolarHBondContact NH2-OD1 3.08Å; R73-D131 IonicContact NH2-OD2 2.76Å; R73-D131 PolarHBondContact NH2-OD2 2.89Å; W96-D131 HydrophobicContact CH2-CB 3.89Å; W96-D131 HydrophobicContact CZ2-CB 3.44Å; W96-D131 VanDerWaalsContact CZ2-CB 3.44Å; I97-D131 WeakPolarHBondContact O-CB 3.5Å; I97-D131 PolarHBondContact O-N 3.44Å; R99-D131 HydrophobicContact CB-CB 4.25Å; R99-D131 WeakPolarHBondContact CB-OD2 3.31Å; R99-D131 VanDerWaalsContact CG-OD2 3.28Å; R99-D131 WeakPolarHBondContact CG-OD2 2.9Å; R99-D131 PolarHBondContact N-OD2 3.07Å; R99-D131 IonicContact NE-OD2 3.84Å; D131-E134 VanDerWaalsContact CA-OE1 3.29Å; D131-E134 WeakPolarHBondContact CA-OE1 3.23Å; D131-T147 VanDerWaalsContact OD1-CG2 3.28Å; D131-T147 WeakPolarHBondContact OD1-CG2 3.48Å |
| 132 | G | 92.1 | Very high | 92.5 | Very high | 48 Ų | 48 | 29.3 Ų | 29.3 | 50% | 0.495 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 0.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | V130 E134 | V130-G132 PolarHBondContact O-N 3.17Å; V130-G132 VanDerWaalsContact O-N 3.13Å; G132-E134 WeakPolarHBondContact CA-OE2 3.45Å; G132-E134 PolarHBondContact N-OE1 3.49Å; G132-E134 VanDerWaalsContact N-OE1 3.07Å; G132-E134 PolarHBondContact N-OE2 3.37Å |
| 133 | F | 93.8 | Very high | 92.4 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 19% | 0.193 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -138.3 | 26.4 | 179.5 | -59.9 | -85.8 | 0 | 0 | 0 | 111.6 | V130 V265 Q267 F344 P346 | V130-F133 HydrophobicContact CB-CB 4.44Å; V130-F133 CarbonylContact O-C 3.56Å; V130-F133 VanDerWaalsContact O-C 3.31Å; V130-F133 WeakPolarHBondContact O-CA 3.34Å; V130-F133 PolarHBondContact O-N 2.8Å; F133-V265 HydrophobicContact CE2-CB 4.43Å; F133-V265 HydrophobicContact CE2-CG1 4.06Å; F133-V265 HydrophobicContact CZ-CB 4.42Å; F133-V265 HydrophobicContact CZ-CG1 3.98Å; F133-Q267 HydrophobicContact CD1-CG 4.3Å; F133-Q267 HydrophobicContact CE1-CB 3.87Å; F133-Q267 HydrophobicContact CE1-CG 3.9Å; F133-Q267 HydrophobicContact CZ-CB 4.33Å; F133-F344 HydrophobicContact CB-CB 4.06Å; F133-F344 WeakPolarHBondContact CB-O 3.5Å; F133-F344 HydrophobicContact CD1-CB 4.2Å; F133-F344 HydrophobicContact CD2-CB 3.49Å; F133-F344 VanDerWaalsContact CD2-CB 3.49Å; F133-F344 HydrophobicContact CD2-CD2 4.28Å; F133-F344 HydrophobicContact CD2-CG 4.05Å; F133-F344 HydrophobicContact CE2-CB 3.92Å; F133-F344 AromaticContact CE2-CD2 3.82Å; F133-F344 HydrophobicContact CE2-CD2 3.82Å; F133-F344 HydrophobicContact CE2-CG 4.04Å; F133-F344 HydrophobicContact CG-CB 3.64Å; F133-F344 HydrophobicContact CZ-CB 4.44Å; F133-F344 HydrophobicContact CZ-CD2 4.06Å; F133-P346 WeakPolarHBondContact O-CD 3.48Å |
| 134 | E | 94.4 | Very high | 92.3 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | trans | -67.5 | 151.1 | -179.8 | -51.4 | 83.7 | 168.9 | 0 | 0 | 111.7 | W96 E129 V130 D131 G132 F138 K139 F145 | W96-E134 PolarHBondContact NE1-OE1 2.72Å; E129-E134 HydrophobicContact CB-CB 4.43Å; E129-E134 HydrophobicContact CB-CG 4.22Å; E129-E134 WeakPolarHBondContact OE2-CA 3.28Å; V130-E134 PolarHBondContact O-N 3.18Å; D131-E134 VanDerWaalsContact CA-OE1 3.29Å; D131-E134 WeakPolarHBondContact CA-OE1 3.23Å; G132-E134 WeakPolarHBondContact CA-OE2 3.45Å; G132-E134 PolarHBondContact N-OE1 3.49Å; G132-E134 VanDerWaalsContact N-OE1 3.07Å; G132-E134 PolarHBondContact N-OE2 3.37Å; E134-F138 HydrophobicContact CB-CD1 3.82Å; E134-F138 HydrophobicContact CB-CE1 4.49Å; E134-F138 HydrophobicContact CG-CD1 3.93Å; E134-F138 HydrophobicContact CG-CE1 4.11Å; E134-K139 HydrophobicContact CB-CG 4.38Å; E134-K139 IonicContact OE2-NZ 3Å; E134-F145 HydrophobicContact CG-CE1 4.38Å; E134-F145 HydrophobicContact CG-CZ 4.02Å; E134-F145 WeakPolarHBondContact OE1-CE1 3.31Å; E134-F145 WeakPolarHBondContact OE1-CZ 3.27Å | ||
| 135 | S | 93.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | trans | -60.5 | 150.3 | 172.3 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | E129 L137 F138 K139 | E129-S135 PolarHBondContact OE1-OG 3.38Å; E129-S135 PolarHBondContact OE2-N 3.22Å; E129-S135 PolarHBondContact OE2-OG 3.4Å; S135-L137 PolarHBondContact O-N 3.16Å; S135-F138 PolarHBondContact O-N 3.34Å; S135-F138 VanDerWaalsContact OG-CB 3.26Å; S135-F138 WeakPolarHBondContact OG-CB 3.36Å; S135-F138 PolarHBondContact OG-N 3.49Å; S135-F138 VanDerWaalsContact OG-N 3.12Å; S135-K139 PolarHBondContact O-N 3.33Å | ||
| 136 | D | 89.5 | Confident | 92.5 | Very high | 110 Ų | 110 | 33.7 Ų | 33.7 | 59% | 0.588 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -59.2 | -41.2 | 173.2 | -70.9 | -23.7 | 0 | 0 | 0 | 110.5 | F138 K139 T140 | D136-F138 PolarHBondContact O-N 2.81Å; D136-K139 PolarHBondContact O-N 3.31Å; D136-T140 WeakPolarHBondContact O-CG2 3.37Å; D136-T140 PolarHBondContact O-N 2.81Å |
| 137 | L | 92.1 | Very high | 92.6 | Very high | 39 Ų | 39 | 32.9 Ų | 32.9 | 20% | 0.204 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.6 | -50.2 | 177.2 | 174.5 | 62.4 | 0 | 0 | 0 | 111.5 | S135 K139 T140 Y141 E358 | S135-L137 PolarHBondContact O-N 3.16Å; L137-K139 VanDerWaalsContact C-N 3.32Å; L137-K139 PolarHBondContact O-N 2.82Å; L137-T140 WeakPolarHBondContact O-CB 3.49Å; L137-T140 PolarHBondContact O-N 3.11Å; L137-T140 VanDerWaalsContact O-N 3.09Å; L137-T140 PolarHBondContact O-OG1 2.86Å; L137-Y141 HydrophobicContact CD1-CE1 3.86Å; L137-Y141 HydrophobicContact CG-CE1 4.28Å; L137-Y141 VanDerWaalsContact CG-OH 3.32Å; L137-Y141 WeakPolarHBondContact CG-OH 3.48Å; L137-E358 VanDerWaalsContact CB-CD 3.48Å; L137-E358 HydrophobicContact CB-CG 4.29Å; L137-E358 WeakPolarHBondContact CB-OE1 3.45Å; L137-E358 PolarHBondContact N-OE1 3.04Å |
| 138 | F | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.4 | -45.3 | -179.2 | 179.1 | -107.3 | 0 | 0 | 0 | 112.3 | F71 V79 H94 W96 E129 E134 S135 D136 T140 Y141 F142 F145 | F71-F138 AromaticContact CE1-CZ 3.94Å; F71-F138 HydrophobicContact CE1-CZ 3.94Å; F71-F138 HydrophobicContact CE2-CZ 4.36Å; F71-F138 HydrophobicContact CZ-CE1 4.33Å; F71-F138 AromaticContact CZ-CZ 3.72Å; F71-F138 HydrophobicContact CZ-CZ 3.72Å; V79-F138 HydrophobicContact CB-CE2 3.92Å; V79-F138 HydrophobicContact CG1-CE2 4.31Å; V79-F138 HydrophobicContact CG2-CE2 3.65Å; V79-F138 HydrophobicContact CG2-CZ 4.08Å; H94-F138 HydrophobicContact CB-CD2 3.83Å; H94-F138 HydrophobicContact CB-CE2 3.87Å; H94-F138 AromaticContact CG-CD2 3.62Å; H94-F138 AromaticContact ND1-CD2 3.51Å; W96-F138 HydrophobicContact CB-CZ 3.94Å; W96-F138 AromaticContact CD1-CE1 3.47Å; W96-F138 VanDerWaalsContact CD1-CE1 3.47Å; W96-F138 AromaticContact CD1-CZ 3.74Å; W96-F138 HydrophobicContact CG-CE1 4.23Å; W96-F138 HydrophobicContact CG-CZ 4.07Å; E129-F138 HydrophobicContact CG-CB 4.12Å; E129-F138 HydrophobicContact CG-CD1 4.25Å; E129-F138 HydrophobicContact CG-CD2 3.82Å; E129-F138 HydrophobicContact CG-CE2 4.2Å; E129-F138 HydrophobicContact CG-CG 3.82Å; E134-F138 HydrophobicContact CB-CD1 3.82Å; E134-F138 HydrophobicContact CB-CE1 4.49Å; E134-F138 HydrophobicContact CG-CD1 3.93Å; E134-F138 HydrophobicContact CG-CE1 4.11Å; S135-F138 PolarHBondContact O-N 3.34Å; S135-F138 VanDerWaalsContact OG-CB 3.26Å; S135-F138 WeakPolarHBondContact OG-CB 3.36Å; S135-F138 PolarHBondContact OG-N 3.49Å; S135-F138 VanDerWaalsContact OG-N 3.12Å; D136-F138 PolarHBondContact O-N 2.81Å; F138-T140 PolarHBondContact O-N 2.78Å; F138-Y141 HydrophobicContact CD2-CD2 4.32Å; F138-Y141 HydrophobicContact CD2-CE2 4.45Å; F138-Y141 WeakPolarHBondContact O-CD2 3.49Å; F138-Y141 PolarHBondContact O-N 3.3Å; F138-F142 HydrophobicContact CD1-CE2 4.1Å; F138-F142 HydrophobicContact CD2-CE2 4.31Å; F138-F142 AromaticContact CE1-CE2 3.85Å; F138-F142 HydrophobicContact CE1-CE2 3.85Å; F138-F142 HydrophobicContact CE1-CZ 4.46Å; F138-F142 HydrophobicContact CE2-CE2 4.08Å; F138-F142 HydrophobicContact CE2-CZ 4.09Å; F138-F142 HydrophobicContact CG-CE2 4.34Å; F138-F142 AromaticContact CZ-CE2 3.84Å; F138-F142 HydrophobicContact CZ-CE2 3.84Å; F138-F142 HydrophobicContact CZ-CZ 4Å; F138-F142 WeakPolarHBondContact O-CD2 3.44Å; F138-F142 WeakPolarHBondContact O-CE2 3.32Å; F138-F145 HydrophobicContact CD1-CE2 4.15Å; F138-F145 HydrophobicContact CD1-CZ 4.45Å; F138-F145 HydrophobicContact CE1-CD2 4.35Å; F138-F145 AromaticContact CE1-CE2 3.47Å; F138-F145 HydrophobicContact CE1-CE2 3.47Å; F138-F145 VanDerWaalsContact CE1-CE2 3.47Å; F138-F145 AromaticContact CE1-CZ 3.9Å; F138-F145 HydrophobicContact CE1-CZ 3.9Å; F138-F145 HydrophobicContact CZ-CE2 4.37Å |
| 139 | K | 92.1 | Very high | 92.5 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -30.7 | -179.9 | -63.7 | 174.8 | -172.8 | -170.3 | 0 | 112 | E134 S135 D136 L137 Y141 F142 F145 T178 E180 | E134-K139 HydrophobicContact CB-CG 4.38Å; E134-K139 IonicContact OE2-NZ 3Å; S135-K139 PolarHBondContact O-N 3.33Å; D136-K139 PolarHBondContact O-N 3.31Å; L137-K139 VanDerWaalsContact C-N 3.32Å; L137-K139 PolarHBondContact O-N 2.82Å; K139-Y141 PolarHBondContact O-N 2.58Å; K139-F142 PolarHBondContact O-N 3.42Å; K139-F145 HydrophobicContact CG-CD1 4.4Å; K139-T178 HydrophobicContact CB-CG2 4.03Å; K139-E180 WeakPolarHBondContact CD-OE1 3.47Å; K139-E180 WeakPolarHBondContact CE-OE1 3.37Å; K139-E180 IonicContact NZ-OE1 2.72Å; K139-E180 PolarHBondContact NZ-OE1 3.25Å |
| 140 | T | 91.1 | Very high | 92.2 | Very high | 86 Ų | 86 | 34.7 Ų | 34.7 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.7 | -16.6 | -179.3 | 72.3 | 0 | 0 | 0 | 0 | 114.7 | D136 L137 F138 F142 | D136-T140 WeakPolarHBondContact O-CG2 3.37Å; D136-T140 PolarHBondContact O-N 2.81Å; L137-T140 WeakPolarHBondContact O-CB 3.49Å; L137-T140 PolarHBondContact O-N 3.11Å; L137-T140 VanDerWaalsContact O-N 3.09Å; L137-T140 PolarHBondContact O-OG1 2.86Å; F138-T140 PolarHBondContact O-N 2.78Å; T140-F142 PolarHBondContact O-N 2.89Å |
| 141 | Y | 93.6 | Very high | 92 | Very high | 31 Ų | 31 | 34 Ų | 34 | 12% | 0.122 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.5 | 179 | -56.3 | -32.5 | 0 | 0 | 0 | 113.5 | L50 V79 N81 D92 H94 L137 F138 K139 | L50-Y141 HydrophobicContact CD1-CD2 4.38Å; L50-Y141 HydrophobicContact CD1-CG 4.29Å; V79-Y141 HydrophobicContact CG1-CD2 4.39Å; N81-Y141 HydrophobicContact CB-CD1 4.25Å; N81-Y141 HydrophobicContact CB-CD2 4.23Å; N81-Y141 HydrophobicContact CB-CE1 3.84Å; N81-Y141 HydrophobicContact CB-CE2 3.8Å; N81-Y141 HydrophobicContact CB-CG 4.43Å; N81-Y141 VanDerWaalsContact CG-CE1 3.42Å; N81-Y141 WeakPolarHBondContact ND2-CE1 3.37Å; D92-Y141 WeakPolarHBondContact CB-OH 3.37Å; D92-Y141 PolarHBondContact OD2-OH 2.78Å; H94-Y141 AromaticContact CD2-CE2 3.79Å; H94-Y141 AromaticContact CE1-CE2 3.8Å; H94-Y141 AromaticContact NE2-CE2 3.31Å; H94-Y141 VanDerWaalsContact NE2-CE2 3.31Å; H94-Y141 WeakPolarHBondContact NE2-CE2 3.08Å; H94-Y141 AromaticContact NE2-CZ 3.71Å; H94-Y141 PolarHBondContact NE2-OH 3.48Å; L137-Y141 HydrophobicContact CD1-CE1 3.86Å; L137-Y141 HydrophobicContact CG-CE1 4.28Å; L137-Y141 VanDerWaalsContact CG-OH 3.32Å; L137-Y141 WeakPolarHBondContact CG-OH 3.48Å; F138-Y141 HydrophobicContact CD2-CD2 4.32Å; F138-Y141 HydrophobicContact CD2-CE2 4.45Å; F138-Y141 WeakPolarHBondContact O-CD2 3.49Å; F138-Y141 PolarHBondContact O-N 3.3Å; K139-Y141 PolarHBondContact O-N 2.58Å |
| 142 | F | 91.9 | Very high | 91.7 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | trans | -110.2 | 130.7 | -173.7 | -45.7 | -72.6 | 0 | 0 | 0 | 110 | L50 V52 I68 G69 F71 V79 F138 K139 T140 R144 F145 | L50-F142 HydrophobicContact CD2-CD1 4.26Å; L50-F142 HydrophobicContact CD2-CE1 4.03Å; V52-F142 HydrophobicContact CG2-CE1 4.47Å; I68-F142 HydrophobicContact CG2-CD1 3.96Å; I68-F142 HydrophobicContact CG2-CE1 4.1Å; G69-F142 VanDerWaalsContact CA-CD1 3.47Å; F71-F142 HydrophobicContact CE2-CD1 4.48Å; F71-F142 HydrophobicContact CE2-CD2 4.39Å; F71-F142 HydrophobicContact CE2-CE1 4.01Å; F71-F142 AromaticContact CE2-CE2 3.92Å; F71-F142 HydrophobicContact CE2-CE2 3.92Å; F71-F142 AromaticContact CE2-CZ 3.73Å; F71-F142 HydrophobicContact CE2-CZ 3.73Å; F71-F142 AromaticContact CZ-CE1 3.91Å; F71-F142 HydrophobicContact CZ-CE1 3.91Å; F71-F142 HydrophobicContact CZ-CE2 4.01Å; F71-F142 AromaticContact CZ-CZ 3.47Å; F71-F142 HydrophobicContact CZ-CZ 3.47Å; F71-F142 VanDerWaalsContact CZ-CZ 3.47Å; V79-F142 HydrophobicContact CG1-CZ 4.22Å; V79-F142 HydrophobicContact CG2-CZ 4.28Å; F138-F142 HydrophobicContact CD1-CE2 4.1Å; F138-F142 HydrophobicContact CD2-CE2 4.31Å; F138-F142 AromaticContact CE1-CE2 3.85Å; F138-F142 HydrophobicContact CE1-CE2 3.85Å; F138-F142 HydrophobicContact CE1-CZ 4.46Å; F138-F142 HydrophobicContact CE2-CE2 4.08Å; F138-F142 HydrophobicContact CE2-CZ 4.09Å; F138-F142 HydrophobicContact CG-CE2 4.34Å; F138-F142 AromaticContact CZ-CE2 3.84Å; F138-F142 HydrophobicContact CZ-CE2 3.84Å; F138-F142 HydrophobicContact CZ-CZ 4Å; F138-F142 WeakPolarHBondContact O-CD2 3.44Å; F138-F142 WeakPolarHBondContact O-CE2 3.32Å; K139-F142 PolarHBondContact O-N 3.42Å; T140-F142 PolarHBondContact O-N 2.89Å; F142-R144 WeakPolarHBondContact CB-O 3.43Å; F142-R144 PolarHBondContact O-N 2.95Å; F142-F145 AromaticContact CD2-CD2 3.66Å; F142-F145 HydrophobicContact CD2-CD2 3.66Å; F142-F145 HydrophobicContact CD2-CE2 4.4Å; F142-F145 HydrophobicContact CE2-CD2 4Å; F142-F145 HydrophobicContact CE2-CE2 4.3Å; F142-F145 HydrophobicContact CG-CD2 4.41Å | ||
| 143 | N | 82.2 | Confident | 91.3 | Very high | 161 Ų | 161 | 36.8 Ų | 36.8 | 86% | 0.861 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -60.9 | -27.4 | 170.1 | -179 | 47.6 | 0 | 0 | 0 | 111.8 | ||
| 144 | R | 86 | Confident | 90.6 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 25% | 0.253 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -146.8 | 126.3 | 168.9 | -171.9 | -170.1 | -66.3 | 154.7 | -0.6 | 108.8 | F142 E146 F224 | F142-R144 WeakPolarHBondContact CB-O 3.43Å; F142-R144 PolarHBondContact O-N 2.95Å; R144-E146 WeakPolarHBondContact CD-OE1 3.25Å; R144-E146 HydrophobicContact CG-CG 3.9Å; R144-E146 IonicContact CZ-OE1 3.49Å; R144-E146 IonicContact NE-OE1 2.9Å; R144-E146 IonicContact NH1-OE1 2.94Å; R144-E146 PolarHBondContact NH1-OE1 2.92Å; R144-F224 VanDerWaalsContact NH1-CD2 3.32Å |
| 145 | F | 92.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.3 | 173.6 | -175.5 | -113.5 | 0 | 0 | 0 | 108.8 | F71 W96 E134 F138 K139 F142 T147 E180 L181 | F71-F145 AromaticContact CD2-CD2 3.8Å; F71-F145 HydrophobicContact CD2-CD2 3.8Å; F71-F145 AromaticContact CD2-CE2 3.29Å; F71-F145 HydrophobicContact CD2-CE2 3.29Å; F71-F145 HydrophobicContact CD2-CZ 4.17Å; F71-F145 AromaticContact CE2-CD2 3.75Å; F71-F145 HydrophobicContact CE2-CD2 3.75Å; F71-F145 AromaticContact CE2-CE2 3.43Å; F71-F145 HydrophobicContact CE2-CE2 3.43Å; F71-F145 VanDerWaalsContact CE2-CE2 3.43Å; F71-F145 HydrophobicContact CG-CE2 4.09Å; F71-F145 HydrophobicContact CZ-CE2 4.31Å; W96-F145 AromaticContact NE1-CZ 3.84Å; E134-F145 HydrophobicContact CG-CE1 4.38Å; E134-F145 HydrophobicContact CG-CZ 4.02Å; E134-F145 WeakPolarHBondContact OE1-CE1 3.31Å; E134-F145 WeakPolarHBondContact OE1-CZ 3.27Å; F138-F145 HydrophobicContact CD1-CE2 4.15Å; F138-F145 HydrophobicContact CD1-CZ 4.45Å; F138-F145 HydrophobicContact CE1-CD2 4.35Å; F138-F145 AromaticContact CE1-CE2 3.47Å; F138-F145 HydrophobicContact CE1-CE2 3.47Å; F138-F145 VanDerWaalsContact CE1-CE2 3.47Å; F138-F145 AromaticContact CE1-CZ 3.9Å; F138-F145 HydrophobicContact CE1-CZ 3.9Å; F138-F145 HydrophobicContact CZ-CE2 4.37Å; K139-F145 HydrophobicContact CG-CD1 4.4Å; F142-F145 AromaticContact CD2-CD2 3.66Å; F142-F145 HydrophobicContact CD2-CD2 3.66Å; F142-F145 HydrophobicContact CD2-CE2 4.4Å; F142-F145 HydrophobicContact CE2-CD2 4Å; F142-F145 HydrophobicContact CE2-CE2 4.3Å; F142-F145 HydrophobicContact CG-CD2 4.41Å; F145-T147 WeakPolarHBondContact CE1-OG1 3.35Å; F145-E180 HydrophobicContact CD1-CG 4.11Å; F145-E180 WeakPolarHBondContact O-CA 3.26Å; F145-L181 PolarHBondContact O-N 3.27Å |
| 146 | E | 94.4 | Very high | 87.8 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.2 | -178.6 | -48.2 | -168.9 | -179.4 | 0 | 0 | 110.7 | G69 K70 F71 R144 L148 L181 | G69-E146 PolarHBondContact O-N 2.87Å; K70-E146 HydrophobicContact CG-CB 4.25Å; K70-E146 HydrophobicContact CG-CG 4.36Å; F71-E146 PolarHBondContact N-O 3.48Å; R144-E146 WeakPolarHBondContact CD-OE1 3.25Å; R144-E146 HydrophobicContact CG-CG 3.9Å; R144-E146 IonicContact CZ-OE1 3.49Å; R144-E146 IonicContact NE-OE1 2.9Å; R144-E146 IonicContact NH1-OE1 2.94Å; R144-E146 PolarHBondContact NH1-OE1 2.92Å; E146-L148 HydrophobicContact CB-CD2 4.47Å; E146-L181 CarbonylContact C-O 3.51Å; E146-L181 WeakPolarHBondContact CA-O 3.16Å; E146-L181 HydrophobicContact CB-CB 4.37Å; E146-L181 HydrophobicContact CG-CB 4.06Å; E146-L181 HydrophobicContact CG-CD2 4.12Å |
| 147 | T | 95 | Very high | 86.4 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 106.6 | 179.8 | -54.1 | 0 | 0 | 0 | 0 | 109.6 | F71 R73 W96 D131 F145 L181 E183 | F71-T147 CarbonylContact O-C 3.52Å; F71-T147 WeakPolarHBondContact O-CA 3.49Å; R73-T147 HydrophobicContact CG-CG2 3.4Å; W96-T147 HydrophobicContact CH2-CG2 4.43Å; W96-T147 HydrophobicContact CZ2-CG2 4.15Å; D131-T147 VanDerWaalsContact OD1-CG2 3.28Å; D131-T147 WeakPolarHBondContact OD1-CG2 3.48Å; F145-T147 WeakPolarHBondContact CE1-OG1 3.35Å; T147-L181 PolarHBondContact N-O 2.9Å; T147-E183 PolarHBondContact O-N 2.93Å |
| 148 | L | 94.6 | Very high | 84.5 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 147 | -165.7 | -56.9 | 179.7 | 0 | 0 | 0 | 112.6 | K70 F71 F72 R73 E146 L169 E183 | K70-L148 HydrophobicContact CB-CD1 4.26Å; F71-L148 PolarHBondContact O-N 2.81Å; F72-L148 WeakPolarHBondContact CA-O 3.3Å; F72-L148 HydrophobicContact CD1-CB 3.82Å; F72-L148 HydrophobicContact CE1-CB 3.83Å; F72-L148 HydrophobicContact CE1-CD1 4.06Å; F72-L148 HydrophobicContact CZ-CD1 4.16Å; R73-L148 WeakPolarHBondContact CB-O 3.37Å; R73-L148 WeakPolarHBondContact CD-O 3.17Å; R73-L148 WeakPolarHBondContact CG-O 3.11Å; R73-L148 PolarHBondContact N-O 3.03Å; E146-L148 HydrophobicContact CB-CD2 4.47Å; L148-L169 HydrophobicContact CD2-CD2 4.39Å; L148-E183 HydrophobicContact CD2-CB 4.33Å |
| 149 | A | 92.2 | Very high | 82.4 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -73.4 | 150.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R165 E183 | A149-R165 PolarHBondContact O-NH1 2.79Å; A149-R165 PolarHBondContact O-NH2 3.25Å; A149-E183 HydrophobicContact CB-CB 4.44Å; A149-E183 HydrophobicContact CB-CG 3.96Å; A149-E183 PolarHBondContact N-OE2 3.28Å |
| 150 | G | 90.4 | Very high | 80.4 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | trans | 88 | -162.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F72 R73 G74 S154 | F72-G150 WeakPolarHBondContact CB-O 3.29Å; R73-G150 PolarHBondContact N-O 3.29Å; G74-G150 VanDerWaalsContact CA-O 3.26Å; G74-G150 WeakPolarHBondContact CA-O 3.23Å; G74-G150 PolarHBondContact N-O 2.78Å; G150-S154 WeakPolarHBondContact CA-OG 3.28Å | ||
| 151 | G | 90.7 | Very high | 78.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | 165.7 | -169.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D75 A153 S154 G155 F156 | D75-G151 VanDerWaalsContact CG-CA 3.5Å; D75-G151 WeakPolarHBondContact OD1-CA 3.44Å; D75-G151 WeakPolarHBondContact OD2-CA 3.37Å; G151-A153 VanDerWaalsContact C-N 3.32Å; G151-A153 PolarHBondContact O-N 2.79Å; G151-S154 PolarHBondContact N-OG 2.94Å; G151-S154 PolarHBondContact O-N 3.06Å; G151-S154 PolarHBondContact O-OG 3.36Å; G151-G155 PolarHBondContact O-N 3.22Å; G151-F156 WeakPolarHBondContact O-CA 3.23Å; G151-F156 WeakPolarHBondContact O-CB 3.42Å; G151-F156 PolarHBondContact O-N 2.73Å | ||
| 152 | Y | 89.4 | Confident | 76.3 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 9% | 0.09 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -59.5 | -42.1 | -179.9 | -75.8 | -52.7 | 0 | 0 | 0 | 112.7 | R54 I55 K56 E61 D75 S154 G155 N157 | R54-Y152 HydrophobicContact CG-CE2 3.74Å; I55-Y152 VanDerWaalsContact O-CD2 3.32Å; I55-Y152 WeakPolarHBondContact O-CD2 3.45Å; I55-Y152 VanDerWaalsContact O-CE2 3.26Å; I55-Y152 WeakPolarHBondContact O-CE2 3.24Å; K56-Y152 HydrophobicContact CB-CD2 3.83Å; K56-Y152 HydrophobicContact CB-CE2 3.42Å; K56-Y152 VanDerWaalsContact CB-CE2 3.42Å; K56-Y152 HydrophobicContact CD-CD1 4.15Å; K56-Y152 HydrophobicContact CD-CD2 4.33Å; K56-Y152 HydrophobicContact CD-CE1 3.75Å; K56-Y152 HydrophobicContact CD-CE2 3.91Å; K56-Y152 HydrophobicContact CD-CG 4.43Å; K56-Y152 HydrophobicContact CG-CD1 4.26Å; K56-Y152 HydrophobicContact CG-CD2 3.73Å; K56-Y152 HydrophobicContact CG-CE1 4.21Å; K56-Y152 HydrophobicContact CG-CE2 3.63Å; K56-Y152 HydrophobicContact CG-CG 4.04Å; E61-Y152 PolarHBondContact OE2-OH 2.82Å; D75-Y152 PolarHBondContact OD1-N 2.88Å; Y152-S154 PolarHBondContact O-N 2.87Å; Y152-G155 PolarHBondContact O-N 3.37Å; Y152-N157 WeakPolarHBondContact CD1-OD1 3.25Å; Y152-N157 WeakPolarHBondContact CE1-OD1 3.31Å |
| 153 | A | 83.3 | Confident | 74.9 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 75% | 0.752 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -60.6 | -29.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G151 G155 | G151-A153 VanDerWaalsContact C-N 3.32Å; G151-A153 PolarHBondContact O-N 2.79Å; A153-G155 VanDerWaalsContact C-N 3.34Å |
| 154 | S | 78.1 | Confident | 74.3 | Confident | 66 Ų | 66 | 58.6 Ų | 58.6 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -92.7 | 7.9 | 176.2 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | G150 G151 Y152 F156 | G150-S154 WeakPolarHBondContact CA-OG 3.28Å; G151-S154 PolarHBondContact N-OG 2.94Å; G151-S154 PolarHBondContact O-N 3.06Å; G151-S154 PolarHBondContact O-OG 3.36Å; Y152-S154 PolarHBondContact O-N 2.87Å; S154-F156 WeakPolarHBondContact OG-CD2 3.31Å |
| 155 | G | 68.1 | Low | 74.1 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 8.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G151 Y152 A153 N157 | G151-G155 PolarHBondContact O-N 3.22Å; Y152-G155 PolarHBondContact O-N 3.37Å; A153-G155 VanDerWaalsContact C-N 3.34Å; G155-N157 PolarHBondContact O-N 2.83Å |
| 156 | F | 62.3 | Low | 74 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | trans | -76.5 | 64.8 | 174.5 | -74 | -90.6 | 0 | 0 | 0 | 111 | R54 F72 G151 S154 V159 R165 | R54-F156 PolarHBondContact NH1-O 2.83Å; R54-F156 PolarHBondContact NH2-O 2.98Å; F72-F156 HydrophobicContact CD1-CB 4.45Å; F72-F156 HydrophobicContact CE1-CB 4.22Å; F72-F156 HydrophobicContact CE1-CD1 4.13Å; F72-F156 HydrophobicContact CE1-CG 4.35Å; F72-F156 HydrophobicContact CZ-CB 4.49Å; G151-F156 WeakPolarHBondContact O-CA 3.23Å; G151-F156 WeakPolarHBondContact O-CB 3.42Å; G151-F156 PolarHBondContact O-N 2.73Å; S154-F156 WeakPolarHBondContact OG-CD2 3.31Å; F156-V159 HydrophobicContact CD1-CG2 4.45Å; F156-V159 HydrophobicContact CE1-CG2 4.47Å; F156-R165 VanDerWaalsContact CZ-CZ 3.47Å | ||
| 157 | N | 58.4 | Low | 74 | Confident | 70 Ų | 70 | 63 Ų | 63 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -80 | -28.8 | 170.7 | -74 | -73.2 | 0 | 0 | 0 | 111.8 | K56 Y152 G155 | K56-N157 WeakPolarHBondContact CE-OD1 3.48Å; K56-N157 PolarHBondContact NZ-OD1 3.44Å; Y152-N157 WeakPolarHBondContact CD1-OD1 3.25Å; Y152-N157 WeakPolarHBondContact CE1-OD1 3.31Å; G155-N157 PolarHBondContact O-N 2.83Å |
| 158 | H | 53.8 | Low | 74.1 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | trans | 179 | 134.9 | 174.8 | -108.4 | 84.9 | 0 | 0 | 0 | 105.7 | R64 K160 | R64-H158 PolarHBondContact NH1-NE2 2.99Å; H158-K160 PolarHBondContact O-N 2.83Å | ||
| 159 | V | 50.5 | Low | 74.2 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | trans | -65.5 | 111.4 | 168 | -167.8 | 0 | 0 | 0 | 0 | 106 | F156 E163 | F156-V159 HydrophobicContact CD1-CG2 4.45Å; F156-V159 HydrophobicContact CE1-CG2 4.47Å; V159-E163 WeakPolarHBondContact CG1-O 3.25Å | ||
| 160 | K | 49.5 | Very low | 74.4 | Confident | 134 Ų | 134 | 61.7 Ų | 61.7 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | trans | -56.5 | 137.3 | 171.5 | -70.8 | 179.1 | -172.2 | 162.9 | 0 | 107 | H158 N162 E163 | H158-K160 PolarHBondContact O-N 2.83Å; K160-N162 PolarHBondContact O-N 3.44Å; K160-E163 PolarHBondContact O-N 2.83Å | ||
| 161 | P | 48.7 | Very low | 74.6 | Confident | 103 Ų | 103 | 61.2 Ų | 61.2 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -18.6 | -171.3 | -28.9 | 33 | 0 | 0 | 0 | 116.1 | Y164 | P161-Y164 VanDerWaalsContact O-CZ 3.32Å; P161-Y164 PolarHBondContact O-OH 2.85Å |
| 162 | N | 51 | Low | 74.6 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 66% | 0.663 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 0.7 | -173.5 | -66.3 | -21.7 | 0 | 0 | 0 | 114.8 | K160 | K160-N162 PolarHBondContact O-N 3.44Š|
| 163 | E | 61 | Low | 74.4 | Confident | 130 Ų | 130 | 65.2 Ų | 65.2 | 61% | 0.607 | 36% | 0.359 | S | S | * | . | trans | -105.9 | 88.3 | 176.1 | -80.3 | 177.2 | 169.6 | 0 | 0 | 109.4 | V159 K160 | V159-E163 WeakPolarHBondContact CG1-O 3.25Å; K160-E163 PolarHBondContact O-N 2.83Å | ||
| 164 | Y | 70.8 | Confident | 74.1 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 35% | 0.345 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 117.3 | 178 | -59.2 | -72.1 | 0 | 0 | 0 | 110.4 | P161 G202 R232 | P161-Y164 VanDerWaalsContact O-CZ 3.32Å; P161-Y164 PolarHBondContact O-OH 2.85Å; Y164-G202 VanDerWaalsContact CG-CA 3.5Å; Y164-R232 HydrophobicContact CE1-CG 4.38Å |
| 165 | R | 81.1 | Confident | 73.8 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 25% | 0.249 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 131.1 | 165.2 | 72.8 | 179.1 | -177.3 | -173 | -3 | 109.2 | A149 F156 R167 E183 | A149-R165 PolarHBondContact O-NH1 2.79Å; A149-R165 PolarHBondContact O-NH2 3.25Å; F156-R165 VanDerWaalsContact CZ-CZ 3.47Å; R165-R167 PolarHBondContact O-N 3.42Å; R165-E183 IonicContact CZ-OE1 3.89Å; R165-E183 IonicContact CZ-OE2 3.53Å; R165-E183 IonicContact NE-OE1 3.73Å; R165-E183 PolarHBondContact NE-OE1 2.81Å; R165-E183 VanDerWaalsContact NH2-CD 3.35Å; R165-E183 IonicContact NH2-OE1 3.86Å; R165-E183 PolarHBondContact NH2-OE1 3.45Å; R165-E183 VanDerWaalsContact NH2-OE1 3.11Å; R165-E183 IonicContact NH2-OE2 3.99Å; R165-E183 PolarHBondContact NH2-OE2 3.43Å |
| 166 | P | 91 | Very high | 74 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 132.3 | 164.5 | -27.6 | 36.8 | 0 | 0 | 0 | 110.5 | F186 D200 M201 | P166-F186 HydrophobicContact CB-CD2 4.19Å; P166-F186 HydrophobicContact CB-CE1 4.48Å; P166-F186 HydrophobicContact CB-CE2 3.53Å; P166-F186 HydrophobicContact CB-CZ 3.73Å; P166-D200 CarbonylContact C-O 3.52Å; P166-D200 VanDerWaalsContact CA-O 3.29Å; P166-D200 WeakPolarHBondContact CA-O 3.35Å; P166-M201 HydrophobicContact CB-CE 4.32Å; P166-M201 HydrophobicContact CB-SD 3.76Å; P166-M201 HydrophobicContact CG-CE 4.27Å; P166-M201 HydrophobicContact CG-SD 4.28Å |
| 167 | R | 95 | Very high | 74.5 | Confident | 44 Ų | 44 | 80 Ų | 80 | 17% | 0.166 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 152.2 | 177.4 | 61.5 | -174.3 | 176.3 | 163.4 | 1.9 | 111 | R165 L169 E183 D200 | R165-R167 PolarHBondContact O-N 3.42Å; R167-L169 HydrophobicContact CG-CD2 4.34Å; R167-L169 HydrophobicContact CG-CG 4.42Å; R167-E183 HydrophobicContact CB-CG 4.3Å; R167-E183 WeakPolarHBondContact CB-OE1 3.22Å; R167-D200 HydrophobicContact CG-CB 3.82Å; R167-D200 IonicContact CZ-OD2 2.82Å; R167-D200 PolarHBondContact N-O 2.87Å; R167-D200 IonicContact NE-OD2 3.24Å; R167-D200 PolarHBondContact NE-OD2 2.95Å; R167-D200 IonicContact NH2-OD2 2.65Å; R167-D200 PolarHBondContact NH2-OD2 2.85Å; R167-D200 PolarHBondContact O-N 2.86Å |
| 168 | L | 97 | Very high | 75.4 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.3 | 175.1 | -175 | 63.4 | 0 | 0 | 0 | 107.9 | E183 V184 F186 L191 F197 L199 F252 L256 | L168-E183 WeakPolarHBondContact O-CA 3.42Å; L168-V184 HydrophobicContact CB-CG2 3.95Å; L168-V184 HydrophobicContact CD2-CG2 3.73Å; L168-V184 HydrophobicContact CG-CG2 3.6Å; L168-V184 WeakPolarHBondContact O-CG2 3.41Å; L168-V184 PolarHBondContact O-N 3.3Å; L168-F186 HydrophobicContact CB-CD2 4.34Å; L168-L191 HydrophobicContact CD1-CD2 4.42Å; L168-L191 HydrophobicContact CD2-CD2 4.09Å; L168-F197 HydrophobicContact CD1-CB 4.11Å; L168-F197 HydrophobicContact CD1-CD1 4.37Å; L168-F197 HydrophobicContact CD2-CD1 4.4Å; L168-F197 HydrophobicContact CG-CD1 4.25Å; L168-L199 HydrophobicContact CD1-CB 4.18Å; L168-F252 HydrophobicContact CD1-CZ 4.45Å; L168-L256 HydrophobicContact CD1-CD1 4.41Å; L168-L256 HydrophobicContact CD2-CD1 4.17Å; L168-L256 HydrophobicContact CD2-CD2 4.18Å |
| 169 | L | 96.9 | Very high | 76.9 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.5 | -178.3 | -51.2 | 172 | 0 | 0 | 0 | 108.8 | L148 R167 L181 I182 E183 F197 I198 F224 | L148-L169 HydrophobicContact CD2-CD2 4.39Å; R167-L169 HydrophobicContact CG-CD2 4.34Å; R167-L169 HydrophobicContact CG-CG 4.42Å; L169-L181 HydrophobicContact CB-CD1 3.62Å; L169-L181 HydrophobicContact CB-CG 4.34Å; L169-L181 HydrophobicContact CD1-CD1 4.43Å; L169-L181 HydrophobicContact CD1-CD2 4.32Å; L169-I182 CarbonylContact C-O 3.51Å; L169-I182 WeakPolarHBondContact CA-O 3.32Å; L169-E183 HydrophobicContact CD2-CB 3.79Å; L169-E183 HydrophobicContact CD2-CG 4Å; L169-F197 CarbonylContact O-C 3.55Å; L169-F197 WeakPolarHBondContact O-CA 3.47Å; L169-I198 HydrophobicContact CB-CB 4.26Å; L169-I198 PolarHBondContact N-O 3.36Å; L169-I198 PolarHBondContact O-N 3.14Å; L169-F224 HydrophobicContact CD1-CE1 3.57Å; L169-F224 HydrophobicContact CD1-CZ 3.62Å |
| 170 | M | 96.5 | Very high | 78.8 | Confident | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.059 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.7 | 178 | -176.7 | -178.6 | 77.4 | 0 | 0 | 108.8 | H172 L181 I182 V184 D195 F197 | M170-H172 HydrophobicContact CE-CB 4.14Å; M170-L181 WeakPolarHBondContact O-CA 3.41Å; M170-I182 HydrophobicContact CE-CB 4.36Å; M170-I182 HydrophobicContact CE-CD1 3.85Å; M170-I182 PolarHBondContact N-O 3.47Å; M170-I182 PolarHBondContact O-N 3.2Å; M170-V184 HydrophobicContact CB-CG1 3.77Å; M170-V184 HydrophobicContact CB-CG2 4.42Å; M170-V184 HydrophobicContact CE-CG1 4.41Å; M170-V184 HydrophobicContact SD-CG1 4.17Å; M170-D195 HydrophobicContact CG-CB 4.05Å; M170-F197 HydrophobicContact CB-CD1 3.92Å; M170-F197 HydrophobicContact CB-CE1 3.66Å; M170-F197 HydrophobicContact CB-CZ 4.34Å; M170-F197 HydrophobicContact CG-CD1 4.14Å; M170-F197 HydrophobicContact CG-CE1 3.55Å; M170-F197 HydrophobicContact CG-CE2 4.43Å; M170-F197 HydrophobicContact CG-CZ 3.71Å; M170-F197 HydrophobicContact SD-CE1 3.92Å; M170-F197 HydrophobicContact SD-CZ 3.89Å |
| 171 | F | 94.7 | Very high | 81 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 117.9 | 168.4 | -83.3 | -84 | 0 | 0 | 0 | 108.8 | M179 E180 L181 V196 I198 A221 F224 | F171-M179 HydrophobicContact CD1-CE 3.37Å; F171-M179 HydrophobicContact CD1-CG 4.22Å; F171-M179 HydrophobicContact CD1-SD 3.57Å; F171-M179 VanDerWaalsContact CD1-SD 3.57Å; F171-M179 HydrophobicContact CE1-CE 3.47Å; F171-M179 VanDerWaalsContact CE1-CE 3.47Å; F171-M179 HydrophobicContact CE1-SD 4.28Å; F171-M179 HydrophobicContact CG-SD 4.48Å; F171-E180 WeakPolarHBondContact CA-O 3.49Å; F171-L181 HydrophobicContact CD1-CD1 4.07Å; F171-L181 HydrophobicContact CD2-CD1 3.58Å; F171-L181 HydrophobicContact CE1-CB 4.35Å; F171-L181 HydrophobicContact CE1-CD1 3.84Å; F171-L181 HydrophobicContact CE1-CD2 4.43Å; F171-L181 HydrophobicContact CE1-CG 4.45Å; F171-L181 HydrophobicContact CE2-CD1 3.29Å; F171-L181 HydrophobicContact CE2-CD2 4.44Å; F171-L181 HydrophobicContact CE2-CG 4.44Å; F171-L181 HydrophobicContact CG-CD1 3.96Å; F171-L181 HydrophobicContact CZ-CD1 3.44Å; F171-L181 VanDerWaalsContact CZ-CD1 3.44Å; F171-L181 HydrophobicContact CZ-CD2 3.93Å; F171-L181 HydrophobicContact CZ-CG 4.19Å; F171-V196 HydrophobicContact CB-CB 4.23Å; F171-V196 PolarHBondContact N-O 3.06Å; F171-V196 PolarHBondContact O-N 3.28Å; F171-I198 HydrophobicContact CD2-CG1 3.99Å; F171-I198 HydrophobicContact CE2-CG1 3.6Å; F171-A221 HydrophobicContact CD2-CB 3.63Å; F171-A221 HydrophobicContact CE2-CB 3.91Å; F171-A221 HydrophobicContact CG-CB 4.05Å; F171-F224 HydrophobicContact CE1-CB 4.45Å; F171-F224 HydrophobicContact CE2-CB 4.04Å; F171-F224 HydrophobicContact CE2-CD1 4.07Å; F171-F224 HydrophobicContact CE2-CG 4.08Å; F171-F224 HydrophobicContact CZ-CB 3.46Å; F171-F224 VanDerWaalsContact CZ-CB 3.46Å; F171-F224 HydrophobicContact CZ-CD1 4.09Å; F171-F224 HydrophobicContact CZ-CD2 4.11Å; F171-F224 AromaticContact CZ-CG 3.63Å; F171-F224 HydrophobicContact CZ-CG 3.63Å |
| 172 | H | 89.7 | Confident | 83.2 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 32% | 0.319 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.9 | -178.2 | -177.1 | 61.1 | 0 | 0 | 0 | 110.5 | M170 M179 E180 D195 | M170-H172 HydrophobicContact CE-CB 4.14Å; H172-M179 WeakPolarHBondContact O-CG 3.34Å; H172-E180 IonicContact CD2-OE2 3.61Å; H172-E180 PolarHBondContact N-O 2.93Å; H172-E180 PolarHBondContact O-N 2.93Å; H172-D195 IonicContact CE1-OD1 3.76Å; H172-D195 IonicContact CG-OD1 2.76Å; H172-D195 IonicContact ND1-OD1 3.43Å; H172-D195 PolarHBondContact ND1-OD1 3.19Å |
| 173 | S | 84.7 | Confident | 85.3 | Confident | 37 Ų | 37 | 56 Ų | 56 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116.5 | 175 | -155.2 | 0 | 0 | 0 | 0 | 110.6 | D175 E217 | S173-D175 PolarHBondContact OG-O 3.06Å; S173-E217 VanDerWaalsContact CB-OE1 3.29Å; S173-E217 WeakPolarHBondContact CB-OE1 3.33Å; S173-E217 PolarHBondContact N-OE1 3.04Å |
| 174 | V | 76.9 | Confident | 86.9 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 30% | 0.303 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -77.6 | -47.6 | 171.9 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | T178 E180 | V174-T178 HydrophobicContact CB-CG2 4.45Å; V174-T178 PolarHBondContact N-O 3.41Å; V174-T178 VanDerWaalsContact N-O 3.08Å; V174-E180 HydrophobicContact CG2-CG 3.51Å; V174-E180 VanDerWaalsContact CG2-OE1 3.32Å; V174-E180 WeakPolarHBondContact CG2-OE1 3.2Å |
| 175 | D | 73.4 | Confident | 88.1 | Confident | 73 Ų | 73 | 49.5 Ų | 49.5 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -145.8 | -170.4 | 172.9 | 68.2 | 41.3 | 0 | 0 | 0 | 109.7 | S173 K177 T178 | S173-D175 PolarHBondContact OG-O 3.06Å; D175-K177 PolarHBondContact O-N 3.13Å; D175-K177 WeakPolarHBondContact OD1-CA 3.23Å; D175-K177 WeakPolarHBondContact OD1-CB 3.43Å; D175-K177 PolarHBondContact OD1-N 3.49Å; D175-T178 PolarHBondContact N-O 3.3Å; D175-T178 PolarHBondContact OD1-N 3.4Å; D175-T178 PolarHBondContact OD1-OG1 2.66Å; D175-T178 PolarHBondContact OD2-OG1 2.77Å |
| 176 | R | 71 | Confident | 88.7 | Confident | 240 Ų | 240 | 49.5 Ų | 49.5 | 91% | 0.906 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -67 | -15 | -179.1 | -69.1 | -173.7 | 178.8 | 174.5 | 0.6 | 115 | ||
| 177 | K | 73.7 | Confident | 89 | Confident | 195 Ų | 195 | 46.4 Ų | 46.4 | 85% | 0.848 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -114.4 | -35 | -174.7 | -64.5 | -176.8 | 178.1 | -179.2 | 0 | 112.1 | D175 | D175-K177 PolarHBondContact O-N 3.13Å; D175-K177 WeakPolarHBondContact OD1-CA 3.23Å; D175-K177 WeakPolarHBondContact OD1-CB 3.43Å; D175-K177 PolarHBondContact OD1-N 3.49Å |
| 178 | T | 76.3 | Confident | 89 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 14% | 0.141 | 23% | 0.228 | C | C | . | . | trans | -104.6 | 125.5 | -170.6 | -46.5 | 0 | 0 | 0 | 0 | 109.7 | K139 V174 D175 | K139-T178 HydrophobicContact CB-CG2 4.03Å; V174-T178 HydrophobicContact CB-CG2 4.45Å; V174-T178 PolarHBondContact N-O 3.41Å; V174-T178 VanDerWaalsContact N-O 3.08Å; D175-T178 PolarHBondContact N-O 3.3Å; D175-T178 PolarHBondContact OD1-N 3.4Å; D175-T178 PolarHBondContact OD1-OG1 2.66Å; D175-T178 PolarHBondContact OD2-OG1 2.77Å | ||
| 179 | M | 85.5 | Confident | 89 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 12% | 0.118 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.2 | -179.3 | -170.9 | -175.9 | 64 | 0 | 0 | 110.1 | F171 H172 K220 | F171-M179 HydrophobicContact CD1-CE 3.37Å; F171-M179 HydrophobicContact CD1-CG 4.22Å; F171-M179 HydrophobicContact CD1-SD 3.57Å; F171-M179 VanDerWaalsContact CD1-SD 3.57Å; F171-M179 HydrophobicContact CE1-CE 3.47Å; F171-M179 VanDerWaalsContact CE1-CE 3.47Å; F171-M179 HydrophobicContact CE1-SD 4.28Å; F171-M179 HydrophobicContact CG-SD 4.48Å; H172-M179 WeakPolarHBondContact O-CG 3.34Å; M179-K220 HydrophobicContact CE-CB 3.1Å; M179-K220 HydrophobicContact CE-CD 3.9Å; M179-K220 HydrophobicContact CE-CG 3.47Å; M179-K220 VanDerWaalsContact CE-CG 3.47Å; M179-K220 HydrophobicContact SD-CB 3.39Å; M179-K220 WeakPolarHBondContact SD-CB 3.37Å; M179-K220 HydrophobicContact SD-CG 3.64Å |
| 180 | E | 91 | Very high | 88.9 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 146.9 | -177.9 | -65.5 | 179.3 | 161.9 | 0 | 0 | 110.6 | K139 F145 F171 H172 V174 I182 | K139-E180 WeakPolarHBondContact CD-OE1 3.47Å; K139-E180 WeakPolarHBondContact CE-OE1 3.37Å; K139-E180 IonicContact NZ-OE1 2.72Å; K139-E180 PolarHBondContact NZ-OE1 3.25Å; F145-E180 HydrophobicContact CD1-CG 4.11Å; F145-E180 WeakPolarHBondContact O-CA 3.26Å; F171-E180 WeakPolarHBondContact CA-O 3.49Å; H172-E180 IonicContact CD2-OE2 3.61Å; H172-E180 PolarHBondContact N-O 2.93Å; H172-E180 PolarHBondContact O-N 2.93Å; V174-E180 HydrophobicContact CG2-CG 3.51Å; V174-E180 VanDerWaalsContact CG2-OE1 3.32Å; V174-E180 WeakPolarHBondContact CG2-OE1 3.2Å; E180-I182 HydrophobicContact CB-CD1 4.35Å; E180-I182 HydrophobicContact CB-CG1 4.26Å |
| 181 | L | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 106.9 | 170.8 | -176.8 | 59.7 | 0 | 0 | 0 | 109.1 | F145 E146 T147 L169 M170 F171 F224 | F145-L181 PolarHBondContact O-N 3.27Å; E146-L181 CarbonylContact C-O 3.51Å; E146-L181 WeakPolarHBondContact CA-O 3.16Å; E146-L181 HydrophobicContact CB-CB 4.37Å; E146-L181 HydrophobicContact CG-CB 4.06Å; E146-L181 HydrophobicContact CG-CD2 4.12Å; T147-L181 PolarHBondContact N-O 2.9Å; L169-L181 HydrophobicContact CB-CD1 3.62Å; L169-L181 HydrophobicContact CB-CG 4.34Å; L169-L181 HydrophobicContact CD1-CD1 4.43Å; L169-L181 HydrophobicContact CD1-CD2 4.32Å; M170-L181 WeakPolarHBondContact O-CA 3.41Å; F171-L181 HydrophobicContact CD1-CD1 4.07Å; F171-L181 HydrophobicContact CD2-CD1 3.58Å; F171-L181 HydrophobicContact CE1-CB 4.35Å; F171-L181 HydrophobicContact CE1-CD1 3.84Å; F171-L181 HydrophobicContact CE1-CD2 4.43Å; F171-L181 HydrophobicContact CE1-CG 4.45Å; F171-L181 HydrophobicContact CE2-CD1 3.29Å; F171-L181 HydrophobicContact CE2-CD2 4.44Å; F171-L181 HydrophobicContact CE2-CG 4.44Å; F171-L181 HydrophobicContact CG-CD1 3.96Å; F171-L181 HydrophobicContact CZ-CD1 3.44Å; F171-L181 VanDerWaalsContact CZ-CD1 3.44Å; F171-L181 HydrophobicContact CZ-CD2 3.93Å; F171-L181 HydrophobicContact CZ-CG 4.19Å; L181-F224 HydrophobicContact CD2-CD2 3.91Å; L181-F224 HydrophobicContact CD2-CE1 4.39Å; L181-F224 HydrophobicContact CD2-CE2 3.48Å; L181-F224 VanDerWaalsContact CD2-CE2 3.48Å; L181-F224 HydrophobicContact CD2-CZ 3.76Å |
| 182 | I | 94.8 | Very high | 88.9 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.1 | -173.1 | -57.5 | 167.1 | 0 | 0 | 0 | 109 | L169 M170 E180 V184 | L169-I182 CarbonylContact C-O 3.51Å; L169-I182 WeakPolarHBondContact CA-O 3.32Å; M170-I182 HydrophobicContact CE-CB 4.36Å; M170-I182 HydrophobicContact CE-CD1 3.85Å; M170-I182 PolarHBondContact N-O 3.47Å; M170-I182 PolarHBondContact O-N 3.2Å; E180-I182 HydrophobicContact CB-CD1 4.35Å; E180-I182 HydrophobicContact CB-CG1 4.26Å; I182-V184 HydrophobicContact CG2-CG1 4.27Å; I182-V184 PolarHBondContact O-N 3.12Å |
| 183 | E | 95.6 | Very high | 89.2 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 112.7 | 167.2 | -170.1 | 169.3 | 170.9 | 0 | 0 | 109.2 | T147 L148 A149 R165 R167 L168 L169 | T147-E183 PolarHBondContact O-N 2.93Å; L148-E183 HydrophobicContact CD2-CB 4.33Å; A149-E183 HydrophobicContact CB-CB 4.44Å; A149-E183 HydrophobicContact CB-CG 3.96Å; A149-E183 PolarHBondContact N-OE2 3.28Å; R165-E183 IonicContact CZ-OE1 3.89Å; R165-E183 IonicContact CZ-OE2 3.53Å; R165-E183 IonicContact NE-OE1 3.73Å; R165-E183 PolarHBondContact NE-OE1 2.81Å; R165-E183 VanDerWaalsContact NH2-CD 3.35Å; R165-E183 IonicContact NH2-OE1 3.86Å; R165-E183 PolarHBondContact NH2-OE1 3.45Å; R165-E183 VanDerWaalsContact NH2-OE1 3.11Å; R165-E183 IonicContact NH2-OE2 3.99Å; R165-E183 PolarHBondContact NH2-OE2 3.43Å; R167-E183 HydrophobicContact CB-CG 4.3Å; R167-E183 WeakPolarHBondContact CB-OE1 3.22Å; L168-E183 WeakPolarHBondContact O-CA 3.42Å; L169-E183 HydrophobicContact CD2-CB 3.79Å; L169-E183 HydrophobicContact CD2-CG 4Å |
| 184 | V | 95.2 | Very high | 89.7 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 11% | 0.109 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 162.7 | -179.8 | -65.3 | 0 | 0 | 0 | 0 | 110.1 | L168 M170 I182 F186 F197 | L168-V184 HydrophobicContact CB-CG2 3.95Å; L168-V184 HydrophobicContact CD2-CG2 3.73Å; L168-V184 HydrophobicContact CG-CG2 3.6Å; L168-V184 WeakPolarHBondContact O-CG2 3.41Å; L168-V184 PolarHBondContact O-N 3.3Å; M170-V184 HydrophobicContact CB-CG1 3.77Å; M170-V184 HydrophobicContact CB-CG2 4.42Å; M170-V184 HydrophobicContact CE-CG1 4.41Å; M170-V184 HydrophobicContact SD-CG1 4.17Å; I182-V184 HydrophobicContact CG2-CG1 4.27Å; I182-V184 PolarHBondContact O-N 3.12Å; V184-F186 PolarHBondContact O-N 3.35Å; V184-F197 HydrophobicContact CG2-CD1 4.34Å; V184-F197 HydrophobicContact CG2-CE1 4.24Å |
| 185 | P | 94.8 | Very high | 90.6 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 40% | 0.403 | 27% | 0.268 | S | S | . | . | trans | -52.4 | 140 | 176.1 | -25.9 | 34.1 | 0 | 0 | 0 | 112.1 | S187 S190 I261 | P185-S187 PolarHBondContact O-N 3.41Å; P185-S190 WeakPolarHBondContact CB-OG 3.3Å; P185-S190 WeakPolarHBondContact O-CB 3.41Å; P185-S190 PolarHBondContact O-OG 3.09Å; P185-I261 HydrophobicContact CB-CB 4.44Å; P185-I261 HydrophobicContact CB-CG2 3.69Å; P185-I261 HydrophobicContact CG-CB 4.34Å; P185-I261 HydrophobicContact CG-CG2 4.11Å | ||
| 186 | F | 95.3 | Very high | 91.8 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -75 | 73.3 | 179.2 | -166.1 | -92.2 | 0 | 0 | 0 | 110.5 | P166 L168 V184 L199 M201 L256 P257 | P166-F186 HydrophobicContact CB-CD2 4.19Å; P166-F186 HydrophobicContact CB-CE1 4.48Å; P166-F186 HydrophobicContact CB-CE2 3.53Å; P166-F186 HydrophobicContact CB-CZ 3.73Å; L168-F186 HydrophobicContact CB-CD2 4.34Å; V184-F186 PolarHBondContact O-N 3.35Å; F186-L199 HydrophobicContact CD2-CD1 4.19Å; F186-L199 HydrophobicContact CE2-CD1 3.26Å; F186-L199 HydrophobicContact CZ-CD1 3.7Å; F186-M201 HydrophobicContact CE2-SD 3.95Å; F186-M201 HydrophobicContact CZ-CE 4.39Å; F186-M201 HydrophobicContact CZ-SD 3.63Å; F186-L256 HydrophobicContact CD1-CD2 4.31Å; F186-L256 HydrophobicContact CD2-CD2 4.29Å; F186-L256 HydrophobicContact CE1-CD2 4.16Å; F186-L256 HydrophobicContact CE2-CD2 4.18Å; F186-L256 HydrophobicContact CG-CD2 4.37Å; F186-L256 HydrophobicContact CZ-CD2 4.09Å; F186-P257 HydrophobicContact CD1-CG 4.03Å; F186-P257 HydrophobicContact CE1-CG 4.43Å; F186-P257 WeakPolarHBondContact O-CD 3.5Å; F186-P257 WeakPolarHBondContact O-CG 3.26Å |
| 187 | S | 96.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -149.7 | 146.9 | -176 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | P185 R189 S190 P257 V259 | P185-S187 PolarHBondContact O-N 3.41Å; S187-R189 PolarHBondContact O-N 3.24Å; S187-R189 PolarHBondContact OG-N 3.27Å; S187-S190 WeakPolarHBondContact O-CB 3.19Å; S187-S190 PolarHBondContact O-N 3.18Å; S187-P257 WeakPolarHBondContact CA-O 3.42Å; S187-P257 PolarHBondContact OG-O 2.64Å; S187-V259 PolarHBondContact OG-N 3.27Å; S187-V259 PolarHBondContact OG-O 2.7Å |
| 188 | R | 95.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 32.5 Ų | 32.5 | 35% | 0.347 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -61.8 | -23.3 | 172.9 | 75.3 | -178.9 | 68.1 | 142.5 | -0.6 | 112.2 | S190 L191 L256 P257 D258 | R188-S190 PolarHBondContact O-N 3.07Å; R188-L191 PolarHBondContact O-N 2.77Å; R188-L256 HydrophobicContact CB-CB 4Å; R188-L256 PolarHBondContact NE-O 2.91Å; R188-L256 PolarHBondContact NH2-O 3.03Å; R188-L256 VanDerWaalsContact NH2-O 3.12Å; R188-P257 PolarHBondContact N-O 2.98Å; R188-D258 VanDerWaalsContact CZ-CB 3.4Å; R188-D258 IonicContact CZ-OD2 3.6Å; R188-D258 IonicContact NE-OD2 3.13Å; R188-D258 VanDerWaalsContact NH1-CG 3.27Å; R188-D258 IonicContact NH1-OD2 3Å; R188-D258 PolarHBondContact NH1-OD2 3.27Å |
| 189 | R | 95.9 | Very high | 95.2 | Very high | 123 Ų | 123 | 31.4 Ų | 31.4 | 46% | 0.464 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -72.4 | -13.4 | 177.8 | -60.7 | -168 | -176.9 | -160.2 | 2.8 | 113.2 | S187 L191 D258 V259 E260 I261 | S187-R189 PolarHBondContact O-N 3.24Å; S187-R189 PolarHBondContact OG-N 3.27Å; R189-L191 VanDerWaalsContact C-N 3.33Å; R189-D258 IonicContact CZ-OD1 2.75Å; R189-D258 IonicContact NE-OD1 3.9Å; R189-D258 PolarHBondContact NE-OD1 3.39Å; R189-D258 IonicContact NH2-OD1 3.39Å; R189-D258 PolarHBondContact NH2-OD1 2.94Å; R189-D258 VanDerWaalsContact NH2-OD1 3.13Å; R189-V259 WeakPolarHBondContact CD-O 3.5Å; R189-E260 IonicContact NH1-OE1 3.11Å; R189-I261 HydrophobicContact CB-CD1 4.2Å; R189-I261 HydrophobicContact CB-CG1 4.13Å; R189-I261 HydrophobicContact CB-CG2 4.31Å; R189-I261 VanDerWaalsContact O-CD1 3.22Å; R189-I261 WeakPolarHBondContact O-CD1 3.4Å |
| 190 | S | 96.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -82 | -13.7 | 175.1 | -67 | 0 | 0 | 0 | 0 | 113.4 | P185 S187 R188 F197 | P185-S190 WeakPolarHBondContact CB-OG 3.3Å; P185-S190 WeakPolarHBondContact O-CB 3.41Å; P185-S190 PolarHBondContact O-OG 3.09Å; S187-S190 WeakPolarHBondContact O-CB 3.19Å; S187-S190 PolarHBondContact O-N 3.18Å; R188-S190 PolarHBondContact O-N 3.07Å; S190-F197 VanDerWaalsContact O-CE1 3.32Å; S190-F197 WeakPolarHBondContact O-CE1 3.42Å; S190-F197 WeakPolarHBondContact O-CZ 3.46Å |
| 191 | L | 96.2 | Very high | 95.7 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | trans | -73.3 | 141.5 | 176 | -56.2 | 175.6 | 0 | 0 | 0 | 110.1 | L168 R188 R189 F197 W208 F252 I253 L256 | L168-L191 HydrophobicContact CD1-CD2 4.42Å; L168-L191 HydrophobicContact CD2-CD2 4.09Å; R188-L191 PolarHBondContact O-N 2.77Å; R189-L191 VanDerWaalsContact C-N 3.33Å; L191-F197 HydrophobicContact CD2-CB 3.89Å; L191-F197 HydrophobicContact CD2-CD1 3.74Å; L191-F197 HydrophobicContact CD2-CD2 3.9Å; L191-F197 HydrophobicContact CD2-CE1 4.22Å; L191-F197 HydrophobicContact CD2-CE2 4.38Å; L191-F197 HydrophobicContact CD2-CG 3.55Å; L191-W208 HydrophobicContact CB-CH2 4.46Å; L191-W208 HydrophobicContact CD2-CE3 4.46Å; L191-F252 HydrophobicContact CD1-CE1 3.85Å; L191-F252 HydrophobicContact CD2-CE1 4.04Å; L191-F252 HydrophobicContact CD2-CZ 4.39Å; L191-I253 HydrophobicContact CD1-CD1 3.36Å; L191-L256 HydrophobicContact CD1-CD1 3.93Å; L191-L256 HydrophobicContact CD2-CD1 4.19Å; L191-L256 HydrophobicContact CG-CD1 4.21Å | ||
| 192 | D | 94.1 | Very high | 95.5 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 19% | 0.193 | 17% | 0.165 | C | C | . | . | trans | -129.8 | 161.8 | 166 | 59.7 | 58.7 | 0 | 0 | 0 | 109.5 | T194 D195 W208 K264 | D192-T194 PolarHBondContact O-N 3.03Å; D192-T194 PolarHBondContact OD1-N 2.8Å; D192-T194 PolarHBondContact OD1-OG1 2.81Å; D192-D195 WeakPolarHBondContact OD1-CB 3.19Å; D192-D195 PolarHBondContact OD1-N 3.42Å; D192-W208 WeakPolarHBondContact O-CH2 3.43Å; D192-W208 WeakPolarHBondContact O-CZ3 3.46Å; D192-K264 IonicContact OD2-NZ 3.99Å | ||
| 193 | S | 96.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 34% | 0.343 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -80.2 | -1.7 | -179.2 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | G210 R211 G212 E243 | S193-G210 CarbonylContact O-C 3.25Å; S193-G210 VanDerWaalsContact O-C 3.25Å; S193-G210 WeakPolarHBondContact O-CA 3.37Å; S193-R211 PolarHBondContact O-N 3.32Å; S193-R211 VanDerWaalsContact O-N 3.12Å; S193-G212 WeakPolarHBondContact O-CA 3.26Å; S193-G212 PolarHBondContact O-N 2.84Å; S193-E243 WeakPolarHBondContact CA-OE2 3.43Å; S193-E243 WeakPolarHBondContact CB-OE2 3.32Å; S193-E243 VanDerWaalsContact OG-CD 3.29Å; S193-E243 PolarHBondContact OG-OE1 3.39Å; S193-E243 PolarHBondContact OG-OE2 3.18Å |
| 194 | T | 95.1 | Very high | 95.2 | Very high | 85 Ų | 85 | 38.9 Ų | 38.9 | 52% | 0.521 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -97.8 | -19.5 | -172.7 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | D192 C213 | D192-T194 PolarHBondContact O-N 3.03Å; D192-T194 PolarHBondContact OD1-N 2.8Å; D192-T194 PolarHBondContact OD1-OG1 2.81Å; T194-C213 WeakPolarHBondContact O-CA 3.22Å; T194-C213 WeakPolarHBondContact O-CB 3.41Å; T194-C213 PolarHBondContact O-N 2.76Å |
| 195 | D | 96.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -121.4 | 175.6 | -170.9 | -64.6 | -89.4 | 0 | 0 | 0 | 112.5 | M170 H172 D192 F197 G210 | M170-D195 HydrophobicContact CG-CB 4.05Å; H172-D195 IonicContact CE1-OD1 3.76Å; H172-D195 IonicContact CG-OD1 2.76Å; H172-D195 IonicContact ND1-OD1 3.43Å; H172-D195 PolarHBondContact ND1-OD1 3.19Å; D192-D195 WeakPolarHBondContact OD1-CB 3.19Å; D192-D195 PolarHBondContact OD1-N 3.42Å; D195-F197 HydrophobicContact CB-CE2 3.92Å; D195-F197 HydrophobicContact CB-CZ 4.3Å; D195-G210 WeakPolarHBondContact O-CA 3.26Å; D195-G210 PolarHBondContact O-N 3.24Å |
| 196 | V | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.3 | 175 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | F171 Q207 N209 C213 E217 K218 A221 | F171-V196 HydrophobicContact CB-CB 4.23Å; F171-V196 PolarHBondContact N-O 3.06Å; F171-V196 PolarHBondContact O-N 3.28Å; V196-Q207 HydrophobicContact CG1-CG 3.72Å; V196-N209 WeakPolarHBondContact CG1-OD1 3.45Å; V196-C213 HydrophobicContact CG2-CB 3.68Å; V196-C213 WeakPolarHBondContact CG2-SG 3.19Å; V196-E217 HydrophobicContact CB-CB 4.36Å; V196-E217 HydrophobicContact CG2-CB 3.8Å; V196-K218 HydrophobicContact CG2-CG 3.92Å; V196-A221 HydrophobicContact CB-CB 4.23Å; V196-A221 HydrophobicContact CG1-CB 3.39Å |
| 197 | F | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136 | -176.8 | -66.3 | -97.9 | 0 | 0 | 0 | 111.4 | L168 L169 M170 V184 S190 L191 D195 Q207 W208 | L168-F197 HydrophobicContact CD1-CB 4.11Å; L168-F197 HydrophobicContact CD1-CD1 4.37Å; L168-F197 HydrophobicContact CD2-CD1 4.4Å; L168-F197 HydrophobicContact CG-CD1 4.25Å; L169-F197 CarbonylContact O-C 3.55Å; L169-F197 WeakPolarHBondContact O-CA 3.47Å; M170-F197 HydrophobicContact CB-CD1 3.92Å; M170-F197 HydrophobicContact CB-CE1 3.66Å; M170-F197 HydrophobicContact CB-CZ 4.34Å; M170-F197 HydrophobicContact CG-CD1 4.14Å; M170-F197 HydrophobicContact CG-CE1 3.55Å; M170-F197 HydrophobicContact CG-CE2 4.43Å; M170-F197 HydrophobicContact CG-CZ 3.71Å; M170-F197 HydrophobicContact SD-CE1 3.92Å; M170-F197 HydrophobicContact SD-CZ 3.89Å; V184-F197 HydrophobicContact CG2-CD1 4.34Å; V184-F197 HydrophobicContact CG2-CE1 4.24Å; S190-F197 VanDerWaalsContact O-CE1 3.32Å; S190-F197 WeakPolarHBondContact O-CE1 3.42Å; S190-F197 WeakPolarHBondContact O-CZ 3.46Å; L191-F197 HydrophobicContact CD2-CB 3.89Å; L191-F197 HydrophobicContact CD2-CD1 3.74Å; L191-F197 HydrophobicContact CD2-CD2 3.9Å; L191-F197 HydrophobicContact CD2-CE1 4.22Å; L191-F197 HydrophobicContact CD2-CE2 4.38Å; L191-F197 HydrophobicContact CD2-CG 3.55Å; D195-F197 HydrophobicContact CB-CE2 3.92Å; D195-F197 HydrophobicContact CB-CZ 4.3Å; F197-Q207 CarbonylContact O-C 3.59Å; F197-Q207 WeakPolarHBondContact O-CA 3.38Å; F197-W208 HydrophobicContact CB-CE3 4.43Å; F197-W208 AromaticContact CD2-CE3 3.69Å; F197-W208 HydrophobicContact CD2-CE3 3.69Å; F197-W208 AromaticContact CD2-CZ3 3.76Å; F197-W208 HydrophobicContact CD2-CZ3 3.76Å; F197-W208 HydrophobicContact CE2-CE3 4.46Å; F197-W208 HydrophobicContact CE2-CZ3 4.09Å; F197-W208 HydrophobicContact CG-CE3 4.44Å; F197-W208 PolarHBondContact N-O 2.86Å; F197-W208 PolarHBondContact O-N 2.93Å |
| 198 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 115.4 | 168.5 | -59.9 | -59.4 | 0 | 0 | 0 | 109.3 | L169 F171 Y206 Q207 A221 F224 L225 L228 | L169-I198 HydrophobicContact CB-CB 4.26Å; L169-I198 PolarHBondContact N-O 3.36Å; L169-I198 PolarHBondContact O-N 3.14Å; F171-I198 HydrophobicContact CD2-CG1 3.99Å; F171-I198 HydrophobicContact CE2-CG1 3.6Å; I198-Y206 CarbonylContact C-O 3.54Å; I198-Y206 VanDerWaalsContact CA-O 3.26Å; I198-Y206 WeakPolarHBondContact CA-O 3.36Å; I198-Q207 HydrophobicContact CD1-CB 3.53Å; I198-Q207 HydrophobicContact CD1-CG 3.86Å; I198-A221 HydrophobicContact CD1-CB 4.17Å; I198-F224 HydrophobicContact CG1-CD1 4.06Å; I198-F224 HydrophobicContact CG2-CD1 4.31Å; I198-F224 HydrophobicContact CG2-CE1 4.16Å; I198-L225 HydrophobicContact CD1-CB 4.37Å; I198-L225 HydrophobicContact CD1-CD1 4.43Å; I198-L225 HydrophobicContact CG2-CD1 4.47Å; I198-L228 HydrophobicContact CG2-CD1 4.23Å |
| 199 | L | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 107.9 | 167.4 | 174.3 | 59.1 | 0 | 0 | 0 | 108.7 | L168 F186 M201 A205 Y206 F252 L255 L256 | L168-L199 HydrophobicContact CD1-CB 4.18Å; F186-L199 HydrophobicContact CD2-CD1 4.19Å; F186-L199 HydrophobicContact CE2-CD1 3.26Å; F186-L199 HydrophobicContact CZ-CD1 3.7Å; L199-M201 HydrophobicContact CD1-CG 4.25Å; L199-M201 HydrophobicContact CD1-SD 3.79Å; L199-M201 HydrophobicContact CD2-CG 4.42Å; L199-M201 HydrophobicContact CD2-SD 4.49Å; L199-M201 HydrophobicContact CG-CG 4Å; L199-M201 HydrophobicContact CG-SD 4.15Å; L199-A205 CarbonylContact O-C 3.52Å; L199-A205 WeakPolarHBondContact O-CA 3.35Å; L199-Y206 HydrophobicContact CB-CD2 4.39Å; L199-Y206 HydrophobicContact CD2-CD2 4.09Å; L199-Y206 HydrophobicContact CG-CD2 4.24Å; L199-Y206 PolarHBondContact N-O 2.83Å; L199-Y206 PolarHBondContact O-N 3.08Å; L199-F252 HydrophobicContact CB-CD2 4.4Å; L199-F252 HydrophobicContact CB-CE2 3.51Å; L199-F252 HydrophobicContact CB-CZ 4.02Å; L199-F252 HydrophobicContact CD2-CD2 4.35Å; L199-F252 HydrophobicContact CD2-CE2 4.11Å; L199-F252 HydrophobicContact CG-CE2 4.47Å; L199-L255 HydrophobicContact CD2-CB 3.66Å; L199-L255 HydrophobicContact CD2-CD1 3.85Å; L199-L255 HydrophobicContact CD2-CG 4.42Å; L199-L256 HydrophobicContact CD1-CD2 3.95Å; L199-L256 HydrophobicContact CD2-CG 4.4Å |
| 200 | D | 95 | Very high | 95.7 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 108.8 | 179.9 | 177 | 9.3 | 0 | 0 | 0 | 110.1 | P166 R167 G202 R232 | P166-D200 CarbonylContact C-O 3.52Å; P166-D200 VanDerWaalsContact CA-O 3.29Å; P166-D200 WeakPolarHBondContact CA-O 3.35Å; R167-D200 HydrophobicContact CG-CB 3.82Å; R167-D200 IonicContact CZ-OD2 2.82Å; R167-D200 PolarHBondContact N-O 2.87Å; R167-D200 IonicContact NE-OD2 3.24Å; R167-D200 PolarHBondContact NE-OD2 2.95Å; R167-D200 IonicContact NH2-OD2 2.65Å; R167-D200 PolarHBondContact NH2-OD2 2.85Å; R167-D200 PolarHBondContact O-N 2.86Å; D200-G202 PolarHBondContact OD1-N 3.11Å; D200-R232 IonicContact OD1-CZ 3.05Å; D200-R232 IonicContact OD1-NH1 2.78Å; D200-R232 PolarHBondContact OD1-NH1 3.24Å; D200-R232 IonicContact OD1-NH2 2.77Å; D200-R232 PolarHBondContact OD1-NH2 2.78Å; D200-R232 IonicContact OD2-CZ 2.81Å; D200-R232 IonicContact OD2-NH1 2.58Å; D200-R232 IonicContact OD2-NH2 3.62Å; D200-R232 PolarHBondContact OD2-NH2 2.73Å |
| 201 | M | 92.3 | Very high | 95.7 | Very high | 56 Ų | 56 | 31.1 Ų | 31.1 | 28% | 0.276 | 16% | 0.155 | S | C | . | . | trans | -105.1 | 14.4 | 179.6 | -58.1 | -68.5 | -71 | 0 | 0 | 112.2 | P166 F186 L199 N203 Q204 | P166-M201 HydrophobicContact CB-CE 4.32Å; P166-M201 HydrophobicContact CB-SD 3.76Å; P166-M201 HydrophobicContact CG-CE 4.27Å; P166-M201 HydrophobicContact CG-SD 4.28Å; F186-M201 HydrophobicContact CE2-SD 3.95Å; F186-M201 HydrophobicContact CZ-CE 4.39Å; F186-M201 HydrophobicContact CZ-SD 3.63Å; L199-M201 HydrophobicContact CD1-CG 4.25Å; L199-M201 HydrophobicContact CD1-SD 3.79Å; L199-M201 HydrophobicContact CD2-CG 4.42Å; L199-M201 HydrophobicContact CD2-SD 4.49Å; L199-M201 HydrophobicContact CG-CG 4Å; L199-M201 HydrophobicContact CG-SD 4.15Å; M201-N203 PolarHBondContact O-N 3.39Å; M201-N203 VanDerWaalsContact O-N 3.12Å; M201-Q204 CarbonylContact C-O 3.51Å; M201-Q204 WeakPolarHBondContact CA-O 3.36Å; M201-Q204 HydrophobicContact CB-CB 4.43Å; M201-Q204 WeakPolarHBondContact CB-O 3.49Å; M201-Q204 PolarHBondContact N-O 3.14Å | ||
| 202 | G | 89.3 | Confident | 95.7 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 82.8 | -74.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y164 D200 R232 C236 | Y164-G202 VanDerWaalsContact CG-CA 3.5Å; D200-G202 PolarHBondContact OD1-N 3.11Å; G202-R232 VanDerWaalsContact O-CD 3.28Å; G202-R232 WeakPolarHBondContact O-CD 3.12Å; G202-R232 PolarHBondContact O-NH1 3.08Å; G202-C236 PolarHBondContact O-SG 2.76Å |
| 203 | N | 89.7 | Confident | 95.7 | Very high | 107 Ų | 107 | 31.5 Ų | 31.5 | 57% | 0.572 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -87.9 | -7.7 | 178.9 | 69.8 | -12 | 0 | 0 | 0 | 113.6 | M201 C236 K237 | M201-N203 PolarHBondContact O-N 3.39Å; M201-N203 VanDerWaalsContact O-N 3.12Å; N203-C236 WeakPolarHBondContact O-CA 3.5Å; N203-K237 PolarHBondContact O-N 3.01Å |
| 204 | Q | 93.8 | Very high | 95.5 | Very high | 73 Ų | 73 | 30.8 Ų | 30.8 | 34% | 0.341 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 143.3 | 173.3 | -66.4 | -178.8 | -24.4 | 0 | 0 | 108.3 | M201 Y206 K237 | M201-Q204 CarbonylContact C-O 3.51Å; M201-Q204 WeakPolarHBondContact CA-O 3.36Å; M201-Q204 HydrophobicContact CB-CB 4.43Å; M201-Q204 WeakPolarHBondContact CB-O 3.49Å; M201-Q204 PolarHBondContact N-O 3.14Å; Q204-Y206 HydrophobicContact CB-CE2 3.81Å; Q204-Y206 PolarHBondContact OE1-OH 2.98Å; Q204-K237 CarbonylContact C-O 3.56Å; Q204-K237 VanDerWaalsContact CA-O 3.31Å; Q204-K237 WeakPolarHBondContact CA-O 3.43Å |
| 205 | A | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L199 L225 L228 K237 T238 E239 | L199-A205 CarbonylContact O-C 3.52Å; L199-A205 WeakPolarHBondContact O-CA 3.35Å; A205-L225 HydrophobicContact CB-CD1 3.39Å; A205-L228 HydrophobicContact CB-CD1 4.27Å; A205-K237 PolarHBondContact N-O 3.29Å; A205-T238 VanDerWaalsContact O-CA 3.29Å; A205-T238 WeakPolarHBondContact O-CA 3.43Å; A205-E239 PolarHBondContact O-N 3.32Å; A205-E239 VanDerWaalsContact O-N 3.09Å |
| 206 | Y | 97.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.9 | -176.2 | -55.2 | -101.4 | 0 | 0 | 0 | 109.4 | I198 L199 Q204 E239 F252 L255 | I198-Y206 CarbonylContact C-O 3.54Å; I198-Y206 VanDerWaalsContact CA-O 3.26Å; I198-Y206 WeakPolarHBondContact CA-O 3.36Å; L199-Y206 HydrophobicContact CB-CD2 4.39Å; L199-Y206 HydrophobicContact CD2-CD2 4.09Å; L199-Y206 HydrophobicContact CG-CD2 4.24Å; L199-Y206 PolarHBondContact N-O 2.83Å; L199-Y206 PolarHBondContact O-N 3.08Å; Q204-Y206 HydrophobicContact CB-CE2 3.81Å; Q204-Y206 PolarHBondContact OE1-OH 2.98Å; Y206-E239 CarbonylContact C-O 3.52Å; Y206-E239 VanDerWaalsContact CA-O 3.28Å; Y206-E239 WeakPolarHBondContact CA-O 3.28Å; Y206-E239 HydrophobicContact CD1-CB 3.76Å; Y206-E239 HydrophobicContact CD1-CG 4.25Å; Y206-E239 HydrophobicContact CE1-CB 4.09Å; Y206-E239 HydrophobicContact CE1-CG 4.49Å; Y206-F252 HydrophobicContact CG-CD2 4.18Å; Y206-L255 HydrophobicContact CD1-CD1 4.43Å; Y206-L255 HydrophobicContact CD2-CD1 3.94Å; Y206-L255 HydrophobicContact CE1-CD1 4Å; Y206-L255 HydrophobicContact CE2-CD1 3.45Å; Y206-L255 VanDerWaalsContact CE2-CD1 3.45Å; Y206-L255 HydrophobicContact CG-CD1 4.42Å; Y206-L255 VanDerWaalsContact CZ-CD1 3.49Å |
| 207 | Q | 98 | Very high | 95 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.6 | 164.8 | 176.2 | 176.9 | -30.6 | 0 | 0 | 109.3 | V196 F197 I198 N209 K218 A221 S222 L225 E239 V240 T241 | V196-Q207 HydrophobicContact CG1-CG 3.72Å; F197-Q207 CarbonylContact O-C 3.59Å; F197-Q207 WeakPolarHBondContact O-CA 3.38Å; I198-Q207 HydrophobicContact CD1-CB 3.53Å; I198-Q207 HydrophobicContact CD1-CG 3.86Å; Q207-N209 WeakPolarHBondContact CG-OD1 3.43Å; Q207-N209 PolarHBondContact NE2-OD1 3.12Å; Q207-K218 PolarHBondContact NE2-O 3.2Å; Q207-A221 HydrophobicContact CG-CB 4.3Å; Q207-A221 VanDerWaalsContact OE1-C 3.29Å; Q207-S222 PolarHBondContact OE1-OG 3.03Å; Q207-L225 HydrophobicContact CB-CD2 3.9Å; Q207-E239 PolarHBondContact N-O 3.48Å; Q207-V240 HydrophobicContact CB-CG1 4.27Å; Q207-V240 HydrophobicContact CB-CG2 4.21Å; Q207-V240 HydrophobicContact CG-CG1 4.26Å; Q207-V240 CarbonylContact O-C 3.57Å; Q207-V240 WeakPolarHBondContact O-CA 3.29Å; Q207-T241 PolarHBondContact O-N 3.4Å |
| 208 | W | 98.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.1 | 173.2 | -179.2 | 99.9 | 0 | 0 | 0 | 109 | L191 D192 F197 T241 E243 H249 F252 | L191-W208 HydrophobicContact CB-CH2 4.46Å; L191-W208 HydrophobicContact CD2-CE3 4.46Å; D192-W208 WeakPolarHBondContact O-CH2 3.43Å; D192-W208 WeakPolarHBondContact O-CZ3 3.46Å; F197-W208 HydrophobicContact CB-CE3 4.43Å; F197-W208 AromaticContact CD2-CE3 3.69Å; F197-W208 HydrophobicContact CD2-CE3 3.69Å; F197-W208 AromaticContact CD2-CZ3 3.76Å; F197-W208 HydrophobicContact CD2-CZ3 3.76Å; F197-W208 HydrophobicContact CE2-CE3 4.46Å; F197-W208 HydrophobicContact CE2-CZ3 4.09Å; F197-W208 HydrophobicContact CG-CE3 4.44Å; F197-W208 PolarHBondContact N-O 2.86Å; F197-W208 PolarHBondContact O-N 2.93Å; W208-T241 WeakPolarHBondContact CA-O 3.49Å; W208-T241 HydrophobicContact CB-CG2 4.12Å; W208-T241 HydrophobicContact CG-CG2 4.22Å; W208-E243 HydrophobicContact CH2-CB 3.97Å; W208-E243 HydrophobicContact CH2-CG 4.03Å; W208-E243 HydrophobicContact CZ2-CB 3.49Å; W208-E243 VanDerWaalsContact CZ2-CB 3.49Å; W208-E243 HydrophobicContact CZ2-CG 3.52Å; W208-H249 AromaticContact CD1-ND1 3.85Å; W208-H249 AromaticContact CE2-CE1 3.95Å; W208-H249 AromaticContact NE1-CE1 3.26Å; W208-H249 PolarHBondContact NE1-CE1 2.95Å; W208-H249 VanDerWaalsContact NE1-CE1 3.26Å; W208-H249 AromaticContact NE1-ND1 3.03Å; W208-H249 PolarHBondContact NE1-ND1 3.05Å; W208-F252 HydrophobicContact CB-CD1 3.85Å; W208-F252 HydrophobicContact CB-CD2 3.93Å; W208-F252 HydrophobicContact CB-CE1 3.48Å; W208-F252 VanDerWaalsContact CB-CE1 3.48Å; W208-F252 HydrophobicContact CB-CE2 3.55Å; W208-F252 HydrophobicContact CB-CG 4.06Å; W208-F252 HydrophobicContact CB-CZ 3.32Å; W208-F252 AromaticContact CD1-CD1 3.25Å; W208-F252 AromaticContact CD1-CE1 3.6Å; W208-F252 AromaticContact CD1-CG 3.74Å; W208-F252 HydrophobicContact CD2-CE1 4.22Å; W208-F252 AromaticContact CG-CD1 3.66Å; W208-F252 HydrophobicContact CG-CD1 3.66Å; W208-F252 AromaticContact CG-CE1 3.51Å; W208-F252 HydrophobicContact CG-CE1 3.51Å; W208-F252 HydrophobicContact CG-CE2 4.41Å; W208-F252 HydrophobicContact CG-CG 4.21Å; W208-F252 AromaticContact CG-CZ 3.92Å; W208-F252 HydrophobicContact CG-CZ 3.92Å; W208-F252 AromaticContact NE1-CD1 3.94Å |
| 209 | N | 98 | Very high | 94.7 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.8 | -177.4 | -57 | -40.6 | 0 | 0 | 0 | 110.7 | V196 Q207 K218 T241 D242 E243 | V196-N209 WeakPolarHBondContact CG1-OD1 3.45Å; Q207-N209 WeakPolarHBondContact CG-OD1 3.43Å; Q207-N209 PolarHBondContact NE2-OD1 3.12Å; N209-K218 HydrophobicContact CB-CD 4.24Å; N209-K218 HydrophobicContact CB-CG 4.37Å; N209-T241 PolarHBondContact N-O 2.94Å; N209-D242 WeakPolarHBondContact CB-OD1 3.31Å; N209-D242 PolarHBondContact ND2-OD1 3.17Å; N209-E243 WeakPolarHBondContact O-CB 3.38Å; N209-E243 PolarHBondContact O-N 2.91Å |
| 210 | G | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -61.3 | 150.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S193 D195 G212 C213 | S193-G210 CarbonylContact O-C 3.25Å; S193-G210 VanDerWaalsContact O-C 3.25Å; S193-G210 WeakPolarHBondContact O-CA 3.37Å; D195-G210 WeakPolarHBondContact O-CA 3.26Å; D195-G210 PolarHBondContact O-N 3.24Å; G210-G212 PolarHBondContact O-N 2.75Å; G210-C213 PolarHBondContact O-N 3.36Å; G210-C213 PolarHBondContact O-SG 2.77Å | ||
| 211 | R | 96.4 | Very high | 94.4 | Very high | 186 Ų | 186 | 53.1 Ų | 53.1 | 70% | 0.702 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -31 | -179.9 | -82 | 176.4 | -72.6 | -150.2 | 0.1 | 114.3 | S193 E243 | S193-R211 PolarHBondContact O-N 3.32Å; S193-R211 VanDerWaalsContact O-N 3.12Å; R211-E243 VanDerWaalsContact CD-O 3.32Å; R211-E243 WeakPolarHBondContact CD-O 3.4Å; R211-E243 HydrophobicContact CG-CB 4.03Å; R211-E243 HydrophobicContact CG-CG 4.26Å; R211-E243 VanDerWaalsContact CG-O 3.23Å; R211-E243 WeakPolarHBondContact CG-O 3.34Å; R211-E243 WeakPolarHBondContact CG-OE2 3.16Å; R211-E243 IonicContact CZ-OE1 2.74Å; R211-E243 IonicContact CZ-OE2 3.9Å; R211-E243 PolarHBondContact N-OE2 2.99Å; R211-E243 VanDerWaalsContact NE-CD 3.27Å; R211-E243 IonicContact NE-OE1 2.7Å; R211-E243 PolarHBondContact NE-OE1 3.4Å; R211-E243 IonicContact NE-OE2 3.39Å; R211-E243 PolarHBondContact NE-OE2 3.16Å; R211-E243 IonicContact NH2-OE1 3.45Å; R211-E243 PolarHBondContact NH2-OE1 2.86Å; R211-E243 IonicContact NH2-OE2 3.18Å |
| 212 | G | 94.5 | Very high | 94.6 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 57% | 0.567 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -0.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | S193 G210 | S193-G212 WeakPolarHBondContact O-CA 3.26Å; S193-G212 PolarHBondContact O-N 2.84Å; G210-G212 PolarHBondContact O-N 2.75Å |
| 213 | C | 94.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | trans | -68.2 | 152.7 | -178.3 | 71.6 | 0 | 0 | 0 | 0 | 113.4 | T194 V196 G210 K218 | T194-C213 WeakPolarHBondContact O-CA 3.22Å; T194-C213 WeakPolarHBondContact O-CB 3.41Å; T194-C213 PolarHBondContact O-N 2.76Å; V196-C213 HydrophobicContact CG2-CB 3.68Å; V196-C213 WeakPolarHBondContact CG2-SG 3.19Å; G210-C213 PolarHBondContact O-N 3.36Å; G210-C213 PolarHBondContact O-SG 2.77Å; C213-K218 WeakPolarHBondContact SG-CE 3.44Å; C213-K218 VanDerWaalsContact SG-CG 3.57Å | ||
| 214 | S | 93.3 | Very high | 95 | Very high | 34 Ų | 34 | 51.4 Ų | 51.4 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | trans | -74.8 | 160.3 | 179 | 69.4 | 0 | 0 | 0 | 0 | 112.1 | E216 E217 K218 | S214-E216 PolarHBondContact O-N 3.21Å; S214-E217 WeakPolarHBondContact CB-OE2 3.09Å; S214-E217 PolarHBondContact N-OE2 2.95Å; S214-E217 WeakPolarHBondContact OG-CB 3.37Å; S214-E217 WeakPolarHBondContact OG-CG 3.35Å; S214-E217 PolarHBondContact OG-N 3.1Å; S214-E217 VanDerWaalsContact OG-N 3.08Å; S214-E217 PolarHBondContact OG-OE2 2.7Å; S214-K218 WeakPolarHBondContact O-CG 3.34Å; S214-K218 PolarHBondContact O-N 2.91Å | ||
| 215 | K | 93.5 | Very high | 95.1 | Very high | 175 Ų | 175 | 48.2 Ų | 48.2 | 76% | 0.761 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.5 | -33.7 | 175.6 | -68.1 | 179.9 | -180 | 176.9 | 0 | 111 | K218 F219 | K215-K218 PolarHBondContact O-N 3.11Å; K215-F219 WeakPolarHBondContact O-CB 3.21Å; K215-F219 PolarHBondContact O-N 2.9Å |
| 216 | E | 91.4 | Very high | 95 | Very high | 112 Ų | 112 | 54 Ų | 54 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 178.8 | -67.1 | 69.9 | -157.5 | 0 | 0 | 110.9 | S214 F219 K220 | S214-E216 PolarHBondContact O-N 3.21Å; E216-F219 PolarHBondContact O-N 3.19Å; E216-K220 WeakPolarHBondContact O-CB 3.41Å; E216-K220 VanDerWaalsContact O-CG 3.26Å; E216-K220 WeakPolarHBondContact O-CG 3.43Å; E216-K220 PolarHBondContact O-N 2.73Å |
| 217 | E | 93 | Very high | 94.6 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 5% | 0.051 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -50 | 174 | -74.7 | 156.4 | 161.7 | 0 | 0 | 111.2 | S173 V196 S214 F219 K220 A221 | S173-E217 VanDerWaalsContact CB-OE1 3.29Å; S173-E217 WeakPolarHBondContact CB-OE1 3.33Å; S173-E217 PolarHBondContact N-OE1 3.04Å; V196-E217 HydrophobicContact CB-CB 4.36Å; V196-E217 HydrophobicContact CG2-CB 3.8Å; S214-E217 WeakPolarHBondContact CB-OE2 3.09Å; S214-E217 PolarHBondContact N-OE2 2.95Å; S214-E217 WeakPolarHBondContact OG-CB 3.37Å; S214-E217 WeakPolarHBondContact OG-CG 3.35Å; S214-E217 PolarHBondContact OG-N 3.1Å; S214-E217 VanDerWaalsContact OG-N 3.08Å; S214-E217 PolarHBondContact OG-OE2 2.7Å; E217-F219 VanDerWaalsContact C-N 3.3Å; E217-F219 PolarHBondContact O-N 3.16Å; E217-K220 PolarHBondContact O-N 3.03Å; E217-A221 VanDerWaalsContact O-CB 3.25Å; E217-A221 WeakPolarHBondContact O-CB 3.49Å; E217-A221 PolarHBondContact O-N 2.95Å |
| 218 | K | 95.2 | Very high | 94.3 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 29% | 0.291 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.4 | -45.3 | 178.2 | -69.9 | -165.1 | -173.5 | -154.6 | 0 | 111.9 | V196 Q207 N209 C213 S214 K215 S222 D242 | V196-K218 HydrophobicContact CG2-CG 3.92Å; Q207-K218 PolarHBondContact NE2-O 3.2Å; N209-K218 HydrophobicContact CB-CD 4.24Å; N209-K218 HydrophobicContact CB-CG 4.37Å; C213-K218 WeakPolarHBondContact SG-CE 3.44Å; C213-K218 VanDerWaalsContact SG-CG 3.57Å; S214-K218 WeakPolarHBondContact O-CG 3.34Å; S214-K218 PolarHBondContact O-N 2.91Å; K215-K218 PolarHBondContact O-N 3.11Å; K218-S222 WeakPolarHBondContact O-CB 3.48Å; K218-S222 PolarHBondContact O-N 3.04Å; K218-S222 PolarHBondContact O-OG 3Å; K218-D242 IonicContact NZ-OD1 2.68Å; K218-D242 PolarHBondContact NZ-OD1 2.84Å |
| 219 | F | 93.7 | Very high | 93.9 | Very high | 121 Ų | 121 | 61.6 Ų | 61.6 | 53% | 0.531 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | -178.2 | 176.6 | -102.9 | 0 | 0 | 0 | 111.4 | K215 E216 E217 S222 Q223 | K215-F219 WeakPolarHBondContact O-CB 3.21Å; K215-F219 PolarHBondContact O-N 2.9Å; E216-F219 PolarHBondContact O-N 3.19Å; E217-F219 VanDerWaalsContact C-N 3.3Å; E217-F219 PolarHBondContact O-N 3.16Å; F219-S222 WeakPolarHBondContact O-CB 3.49Å; F219-S222 PolarHBondContact O-N 2.74Å; F219-Q223 HydrophobicContact CD1-CG 4.45Å; F219-Q223 HydrophobicContact CE1-CG 4.02Å; F219-Q223 HydrophobicContact CZ-CG 4.08Å; F219-Q223 PolarHBondContact O-N 2.76Å |
| 220 | K | 92.1 | Very high | 93.6 | Very high | 80 Ų | 80 | 65.3 Ų | 65.3 | 35% | 0.348 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71 | -36.3 | -177.8 | -67.1 | -80.1 | -171.5 | 174 | 0 | 112.8 | M179 E216 E217 S222 Q223 F224 | M179-K220 HydrophobicContact CE-CB 3.1Å; M179-K220 HydrophobicContact CE-CD 3.9Å; M179-K220 HydrophobicContact CE-CG 3.47Å; M179-K220 VanDerWaalsContact CE-CG 3.47Å; M179-K220 HydrophobicContact SD-CB 3.39Å; M179-K220 WeakPolarHBondContact SD-CB 3.37Å; M179-K220 HydrophobicContact SD-CG 3.64Å; E216-K220 WeakPolarHBondContact O-CB 3.41Å; E216-K220 VanDerWaalsContact O-CG 3.26Å; E216-K220 WeakPolarHBondContact O-CG 3.43Å; E216-K220 PolarHBondContact O-N 2.73Å; E217-K220 PolarHBondContact O-N 3.03Å; K220-S222 VanDerWaalsContact C-N 3.26Å; K220-S222 PolarHBondContact O-N 3.08Å; K220-Q223 WeakPolarHBondContact O-CB 3.07Å; K220-Q223 PolarHBondContact O-N 3.2Å; K220-F224 PolarHBondContact O-N 3.29Å |
| 221 | A | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.6 | -40 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F171 V196 I198 Q207 E217 Q223 F224 L225 | F171-A221 HydrophobicContact CD2-CB 3.63Å; F171-A221 HydrophobicContact CE2-CB 3.91Å; F171-A221 HydrophobicContact CG-CB 4.05Å; V196-A221 HydrophobicContact CB-CB 4.23Å; V196-A221 HydrophobicContact CG1-CB 3.39Å; I198-A221 HydrophobicContact CD1-CB 4.17Å; Q207-A221 HydrophobicContact CG-CB 4.3Å; Q207-A221 VanDerWaalsContact OE1-C 3.29Å; E217-A221 VanDerWaalsContact O-CB 3.25Å; E217-A221 WeakPolarHBondContact O-CB 3.49Å; E217-A221 PolarHBondContact O-N 2.95Å; A221-Q223 PolarHBondContact O-N 3.34Å; A221-F224 WeakPolarHBondContact O-CB 3.47Å; A221-F224 PolarHBondContact O-N 3.39Å; A221-L225 WeakPolarHBondContact O-CB 3.13Å; A221-L225 PolarHBondContact O-N 3.43Å |
| 222 | S | 96.3 | Very high | 92.7 | Very high | 36 Ų | 36 | 62 Ų | 62 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 175.8 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | Q207 K218 F219 K220 F224 L225 Q226 | Q207-S222 PolarHBondContact OE1-OG 3.03Å; K218-S222 WeakPolarHBondContact O-CB 3.48Å; K218-S222 PolarHBondContact O-N 3.04Å; K218-S222 PolarHBondContact O-OG 3Å; F219-S222 WeakPolarHBondContact O-CB 3.49Å; F219-S222 PolarHBondContact O-N 2.74Å; K220-S222 VanDerWaalsContact C-N 3.26Å; K220-S222 PolarHBondContact O-N 3.08Å; S222-F224 VanDerWaalsContact C-N 3.33Å; S222-L225 PolarHBondContact O-N 3.23Å; S222-Q226 WeakPolarHBondContact O-CG 3.42Å; S222-Q226 PolarHBondContact O-N 2.86Å |
| 223 | Q | 94.2 | Very high | 92.4 | Very high | 79 Ų | 79 | 65.8 Ų | 65.8 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 174.3 | -68.9 | -170.7 | -51.3 | 0 | 0 | 111.7 | F219 K220 A221 Q226 Q227 | F219-Q223 HydrophobicContact CD1-CG 4.45Å; F219-Q223 HydrophobicContact CE1-CG 4.02Å; F219-Q223 HydrophobicContact CZ-CG 4.08Å; F219-Q223 PolarHBondContact O-N 2.76Å; K220-Q223 WeakPolarHBondContact O-CB 3.07Å; K220-Q223 PolarHBondContact O-N 3.2Å; A221-Q223 PolarHBondContact O-N 3.34Å; Q223-Q226 PolarHBondContact O-N 2.96Å; Q223-Q227 PolarHBondContact O-N 2.76Å |
| 224 | F | 93.4 | Very high | 92 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 6% | 0.057 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 175.7 | -179.8 | -95.7 | 0 | 0 | 0 | 112.2 | R144 L169 F171 L181 I198 K220 A221 S222 Q226 Q227 L228 | R144-F224 VanDerWaalsContact NH1-CD2 3.32Å; L169-F224 HydrophobicContact CD1-CE1 3.57Å; L169-F224 HydrophobicContact CD1-CZ 3.62Å; F171-F224 HydrophobicContact CE1-CB 4.45Å; F171-F224 HydrophobicContact CE2-CB 4.04Å; F171-F224 HydrophobicContact CE2-CD1 4.07Å; F171-F224 HydrophobicContact CE2-CG 4.08Å; F171-F224 HydrophobicContact CZ-CB 3.46Å; F171-F224 VanDerWaalsContact CZ-CB 3.46Å; F171-F224 HydrophobicContact CZ-CD1 4.09Å; F171-F224 HydrophobicContact CZ-CD2 4.11Å; F171-F224 AromaticContact CZ-CG 3.63Å; F171-F224 HydrophobicContact CZ-CG 3.63Å; L181-F224 HydrophobicContact CD2-CD2 3.91Å; L181-F224 HydrophobicContact CD2-CE1 4.39Å; L181-F224 HydrophobicContact CD2-CE2 3.48Å; L181-F224 VanDerWaalsContact CD2-CE2 3.48Å; L181-F224 HydrophobicContact CD2-CZ 3.76Å; I198-F224 HydrophobicContact CG1-CD1 4.06Å; I198-F224 HydrophobicContact CG2-CD1 4.31Å; I198-F224 HydrophobicContact CG2-CE1 4.16Å; K220-F224 PolarHBondContact O-N 3.29Å; A221-F224 WeakPolarHBondContact O-CB 3.47Å; A221-F224 PolarHBondContact O-N 3.39Å; S222-F224 VanDerWaalsContact C-N 3.33Å; F224-Q226 VanDerWaalsContact C-N 3.32Å; F224-Q226 PolarHBondContact O-N 3.43Å; F224-Q227 WeakPolarHBondContact O-CB 3.22Å; F224-Q227 PolarHBondContact O-N 2.95Å; F224-Q227 VanDerWaalsContact O-N 3.12Å; F224-L228 HydrophobicContact CD1-CD1 3.94Å; F224-L228 HydrophobicContact CD1-CG 4.14Å; F224-L228 HydrophobicContact CE1-CD1 3.44Å; F224-L228 VanDerWaalsContact CE1-CD1 3.44Å; F224-L228 HydrophobicContact CE1-CD2 4.22Å; F224-L228 HydrophobicContact CE1-CG 3.75Å; F224-L228 HydrophobicContact CZ-CD1 4.19Å; F224-L228 HydrophobicContact CZ-CD2 4.15Å; F224-L228 HydrophobicContact CZ-CG 4.12Å; F224-L228 PolarHBondContact O-N 3.11Å |
| 225 | L | 94.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 178.4 | -170.3 | 64.2 | 0 | 0 | 0 | 111.5 | I198 A205 Q207 A221 S222 L228 E229 T238 V240 | I198-L225 HydrophobicContact CD1-CB 4.37Å; I198-L225 HydrophobicContact CD1-CD1 4.43Å; I198-L225 HydrophobicContact CG2-CD1 4.47Å; A205-L225 HydrophobicContact CB-CD1 3.39Å; Q207-L225 HydrophobicContact CB-CD2 3.9Å; A221-L225 WeakPolarHBondContact O-CB 3.13Å; A221-L225 PolarHBondContact O-N 3.43Å; S222-L225 PolarHBondContact O-N 3.23Å; L225-L228 PolarHBondContact O-N 2.75Å; L225-E229 PolarHBondContact O-N 2.68Å; L225-E229 VanDerWaalsContact O-N 3.15Å; L225-T238 HydrophobicContact CD1-CG2 3.79Å; L225-T238 HydrophobicContact CD2-CG2 4.26Å; L225-T238 HydrophobicContact CG-CG2 3.63Å; L225-V240 HydrophobicContact CD2-CG2 4.14Å |
| 226 | Q | 93.7 | Very high | 91.5 | Very high | 121 Ų | 121 | 64.6 Ų | 64.6 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.3 | -40.4 | 172.2 | -71.1 | 171 | 34.8 | 0 | 0 | 112.2 | S222 Q223 F224 L228 E229 C230 | S222-Q226 WeakPolarHBondContact O-CG 3.42Å; S222-Q226 PolarHBondContact O-N 2.86Å; Q223-Q226 PolarHBondContact O-N 2.96Å; F224-Q226 VanDerWaalsContact C-N 3.32Å; F224-Q226 PolarHBondContact O-N 3.43Å; Q226-L228 VanDerWaalsContact C-N 3.34Å; Q226-L228 PolarHBondContact O-N 2.8Å; Q226-E229 WeakPolarHBondContact O-CB 3.34Å; Q226-E229 PolarHBondContact O-N 3.18Å; Q226-C230 PolarHBondContact O-N 3.21Å; Q226-C230 PolarHBondContact O-SG 3.13Å; Q226-C230 VanDerWaalsContact O-SG 3.39Å |
| 227 | Q | 91 | Very high | 91.6 | Very high | 96 Ų | 96 | 66.8 Ų | 66.8 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.6 | -170.8 | 64.4 | 46.6 | 0 | 0 | 111.3 | Q223 F224 E229 C230 D231 | Q223-Q227 PolarHBondContact O-N 2.76Å; F224-Q227 WeakPolarHBondContact O-CB 3.22Å; F224-Q227 PolarHBondContact O-N 2.95Å; F224-Q227 VanDerWaalsContact O-N 3.12Å; Q227-E229 VanDerWaalsContact C-N 3.29Å; Q227-E229 PolarHBondContact O-N 2.78Å; Q227-C230 WeakPolarHBondContact O-CB 3.41Å; Q227-C230 PolarHBondContact O-N 2.83Å; Q227-D231 PolarHBondContact NE2-OD1 3.29Å; Q227-D231 WeakPolarHBondContact O-CB 3.48Å; Q227-D231 PolarHBondContact O-N 2.97Å |
| 228 | L | 90.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 68.8 Ų | 68.8 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59 | -40.4 | 175 | -75.6 | -179.7 | 0 | 0 | 0 | 112.3 | I198 A205 F224 L225 Q226 R232 | I198-L228 HydrophobicContact CG2-CD1 4.23Å; A205-L228 HydrophobicContact CB-CD1 4.27Å; F224-L228 HydrophobicContact CD1-CD1 3.94Å; F224-L228 HydrophobicContact CD1-CG 4.14Å; F224-L228 HydrophobicContact CE1-CD1 3.44Å; F224-L228 VanDerWaalsContact CE1-CD1 3.44Å; F224-L228 HydrophobicContact CE1-CD2 4.22Å; F224-L228 HydrophobicContact CE1-CG 3.75Å; F224-L228 HydrophobicContact CZ-CD1 4.19Å; F224-L228 HydrophobicContact CZ-CD2 4.15Å; F224-L228 HydrophobicContact CZ-CG 4.12Å; F224-L228 PolarHBondContact O-N 3.11Å; L225-L228 PolarHBondContact O-N 2.75Å; Q226-L228 VanDerWaalsContact C-N 3.34Å; Q226-L228 PolarHBondContact O-N 2.8Å; L228-R232 VanDerWaalsContact O-CB 3.31Å; L228-R232 WeakPolarHBondContact O-CB 3.03Å; L228-R232 WeakPolarHBondContact O-CD 3.34Å; L228-R232 WeakPolarHBondContact O-CG 3.49Å; L228-R232 PolarHBondContact O-N 3.09Å |
| 229 | E | 91.2 | Very high | 91.8 | Very high | 68 Ų | 68 | 68.2 Ų | 68.2 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 176.1 | -176 | 171 | 177 | 0 | 0 | 111.6 | L225 Q226 Q227 R232 N233 G234 T238 | L225-E229 PolarHBondContact O-N 2.68Å; L225-E229 VanDerWaalsContact O-N 3.15Å; Q226-E229 WeakPolarHBondContact O-CB 3.34Å; Q226-E229 PolarHBondContact O-N 3.18Å; Q227-E229 VanDerWaalsContact C-N 3.29Å; Q227-E229 PolarHBondContact O-N 2.78Å; E229-R232 CarbonylContact O-C 3.45Å; E229-R232 PolarHBondContact O-N 3.43Å; E229-N233 PolarHBondContact O-N 2.93Å; E229-G234 PolarHBondContact O-N 3Å; E229-T238 HydrophobicContact CB-CG2 4.02Å; E229-T238 PolarHBondContact OE2-OG1 3.07Å; E229-T238 VanDerWaalsContact OE2-OG1 3.07Å |
| 230 | C | 90.4 | Very high | 92 | Very high | 83 Ų | 83 | 66.3 Ų | 66.3 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.4 | -50.7 | 175.8 | -72.3 | 0 | 0 | 0 | 0 | 112.3 | Q226 Q227 R232 N233 | Q226-C230 PolarHBondContact O-N 3.21Å; Q226-C230 PolarHBondContact O-SG 3.13Å; Q226-C230 VanDerWaalsContact O-SG 3.39Å; Q227-C230 WeakPolarHBondContact O-CB 3.41Å; Q227-C230 PolarHBondContact O-N 2.83Å; C230-R232 PolarHBondContact O-N 3.31Å; C230-R232 VanDerWaalsContact O-N 3.11Å; C230-N233 PolarHBondContact O-N 2.81Å |
| 231 | D | 86.8 | Confident | 92.2 | Very high | 105 Ų | 105 | 62.9 Ų | 62.9 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.5 | -25 | -179.7 | -68.9 | -12.5 | 0 | 0 | 0 | 112.1 | Q227 | Q227-D231 PolarHBondContact NE2-OD1 3.29Å; Q227-D231 WeakPolarHBondContact O-CB 3.48Å; Q227-D231 PolarHBondContact O-N 2.97Å |
| 232 | R | 88.6 | Confident | 92.3 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 13.1 | 178.8 | -64.4 | 174.8 | -179.4 | 166.5 | 2.5 | 113 | Y164 D200 G202 L228 E229 C230 G234 R235 C236 | Y164-R232 HydrophobicContact CE1-CG 4.38Å; D200-R232 IonicContact OD1-CZ 3.05Å; D200-R232 IonicContact OD1-NH1 2.78Å; D200-R232 PolarHBondContact OD1-NH1 3.24Å; D200-R232 IonicContact OD1-NH2 2.77Å; D200-R232 PolarHBondContact OD1-NH2 2.78Å; D200-R232 IonicContact OD2-CZ 2.81Å; D200-R232 IonicContact OD2-NH1 2.58Å; D200-R232 IonicContact OD2-NH2 3.62Å; D200-R232 PolarHBondContact OD2-NH2 2.73Å; G202-R232 VanDerWaalsContact O-CD 3.28Å; G202-R232 WeakPolarHBondContact O-CD 3.12Å; G202-R232 PolarHBondContact O-NH1 3.08Å; L228-R232 VanDerWaalsContact O-CB 3.31Å; L228-R232 WeakPolarHBondContact O-CB 3.03Å; L228-R232 WeakPolarHBondContact O-CD 3.34Å; L228-R232 WeakPolarHBondContact O-CG 3.49Å; L228-R232 PolarHBondContact O-N 3.09Å; E229-R232 CarbonylContact O-C 3.45Å; E229-R232 PolarHBondContact O-N 3.43Å; C230-R232 PolarHBondContact O-N 3.31Å; C230-R232 VanDerWaalsContact O-N 3.11Å; R232-G234 VanDerWaalsContact C-N 3.29Å; R232-G234 PolarHBondContact O-N 2.98Å; R232-R235 VanDerWaalsContact O-CB 3.32Å; R232-R235 WeakPolarHBondContact O-CB 3.19Å; R232-R235 WeakPolarHBondContact O-CG 3.46Å; R232-R235 PolarHBondContact O-N 2.69Å; R232-R235 VanDerWaalsContact O-N 3.16Å; R232-R235 PolarHBondContact O-NE 3.16Å; R232-R235 VanDerWaalsContact O-NE 3.15Å; R232-C236 HydrophobicContact CB-CB 3.93Å; R232-C236 VanDerWaalsContact CD-CB 3.5Å; R232-C236 HydrophobicContact CG-CB 4.33Å; R232-C236 PolarHBondContact NH1-SG 3.2Å; R232-C236 VanDerWaalsContact NH1-SG 3.38Å |
| 233 | N | 87.6 | Confident | 92.4 | Very high | 133 Ų | 133 | 65.5 Ų | 65.5 | 71% | 0.711 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 40.8 | -180 | -58 | -46.8 | 0 | 0 | 0 | 112.5 | E229 C230 R235 | E229-N233 PolarHBondContact O-N 2.93Å; C230-N233 PolarHBondContact O-N 2.81Å; N233-R235 PolarHBondContact O-N 2.98Å |
| 234 | G | 86.7 | Confident | 92.4 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 6.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E229 R232 C236 | E229-G234 PolarHBondContact O-N 3Å; R232-G234 VanDerWaalsContact C-N 3.29Å; R232-G234 PolarHBondContact O-N 2.98Å; G234-C236 VanDerWaalsContact C-N 3.27Å; G234-C236 PolarHBondContact O-N 3.38Å |
| 235 | R | 87 | Confident | 92.3 | Very high | 152 Ų | 152 | 68 Ų | 68 | 57% | 0.574 | 36% | 0.363 | S | S | * | . | trans | -81.2 | -8.3 | 179.2 | -61.3 | -179.5 | -67.2 | 170.8 | 1.9 | 113.3 | R232 N233 | R232-R235 VanDerWaalsContact O-CB 3.32Å; R232-R235 WeakPolarHBondContact O-CB 3.19Å; R232-R235 WeakPolarHBondContact O-CG 3.46Å; R232-R235 PolarHBondContact O-N 2.69Å; R232-R235 VanDerWaalsContact O-N 3.16Å; R232-R235 PolarHBondContact O-NE 3.16Å; R232-R235 VanDerWaalsContact O-NE 3.15Å; N233-R235 PolarHBondContact O-N 2.98Å | ||
| 236 | C | 90.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.007 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -98.2 | 113.7 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | G202 N203 R232 G234 | G202-C236 PolarHBondContact O-SG 2.76Å; N203-C236 WeakPolarHBondContact O-CA 3.5Å; R232-C236 HydrophobicContact CB-CB 3.93Å; R232-C236 VanDerWaalsContact CD-CB 3.5Å; R232-C236 HydrophobicContact CG-CB 4.33Å; R232-C236 PolarHBondContact NH1-SG 3.2Å; R232-C236 VanDerWaalsContact NH1-SG 3.38Å; G234-C236 VanDerWaalsContact C-N 3.27Å; G234-C236 PolarHBondContact O-N 3.38Å |
| 237 | K | 93.6 | Very high | 92.4 | Very high | 158 Ų | 158 | 69.2 Ų | 69.2 | 69% | 0.687 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 134.6 | 174.3 | -65.3 | -174.7 | 179.2 | -176.2 | 0 | 110 | N203 Q204 A205 | N203-K237 PolarHBondContact O-N 3.01Å; Q204-K237 CarbonylContact C-O 3.56Å; Q204-K237 VanDerWaalsContact CA-O 3.31Å; Q204-K237 WeakPolarHBondContact CA-O 3.43Å; A205-K237 PolarHBondContact N-O 3.29Å |
| 238 | T | 95.5 | Very high | 92.6 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.2 | -176.4 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | A205 L225 E229 | A205-T238 VanDerWaalsContact O-CA 3.29Å; A205-T238 WeakPolarHBondContact O-CA 3.43Å; L225-T238 HydrophobicContact CD1-CG2 3.79Å; L225-T238 HydrophobicContact CD2-CG2 4.26Å; L225-T238 HydrophobicContact CG-CG2 3.63Å; E229-T238 HydrophobicContact CB-CG2 4.02Å; E229-T238 PolarHBondContact OE2-OG1 3.07Å; E229-T238 VanDerWaalsContact OE2-OG1 3.07Å |
| 239 | E | 96.1 | Very high | 92.9 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 141.8 | 178.6 | -173.5 | 173.1 | 148.4 | 0 | 0 | 109.3 | A205 Y206 Q207 K251 | A205-E239 PolarHBondContact O-N 3.32Å; A205-E239 VanDerWaalsContact O-N 3.09Å; Y206-E239 CarbonylContact C-O 3.52Å; Y206-E239 VanDerWaalsContact CA-O 3.28Å; Y206-E239 WeakPolarHBondContact CA-O 3.28Å; Y206-E239 HydrophobicContact CD1-CB 3.76Å; Y206-E239 HydrophobicContact CD1-CG 4.25Å; Y206-E239 HydrophobicContact CE1-CB 4.09Å; Y206-E239 HydrophobicContact CE1-CG 4.49Å; Q207-E239 PolarHBondContact N-O 3.48Å; E239-K251 IonicContact OE1-NZ 3.89Å; E239-K251 PolarHBondContact OE1-NZ 3.31Å; E239-K251 IonicContact OE2-NZ 3.51Å; E239-K251 PolarHBondContact OE2-NZ 3.36Å |
| 240 | V | 97.1 | Very high | 93.1 | Very high | 80 Ų | 80 | 72.1 Ų | 72.1 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.2 | 180 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | Q207 L225 | Q207-V240 HydrophobicContact CB-CG1 4.27Å; Q207-V240 HydrophobicContact CB-CG2 4.21Å; Q207-V240 HydrophobicContact CG-CG1 4.26Å; Q207-V240 CarbonylContact O-C 3.57Å; Q207-V240 WeakPolarHBondContact O-CA 3.29Å; L225-V240 HydrophobicContact CD2-CG2 4.14Å |
| 241 | T | 97.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 72.2 Ų | 72.2 | 6% | 0.055 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.3 | 177.1 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | Q207 W208 N209 H249 F252 | Q207-T241 PolarHBondContact O-N 3.4Å; W208-T241 WeakPolarHBondContact CA-O 3.49Å; W208-T241 HydrophobicContact CB-CG2 4.12Å; W208-T241 HydrophobicContact CG-CG2 4.22Å; N209-T241 PolarHBondContact N-O 2.94Å; T241-H249 WeakPolarHBondContact OG1-CA 3.42Å; T241-H249 PolarHBondContact OG1-N 3.3Å; T241-H249 VanDerWaalsContact OG1-N 3.14Å; T241-F252 HydrophobicContact CG2-CB 4Å; T241-F252 HydrophobicContact CG2-CD2 4.46Å; T241-F252 HydrophobicContact CG2-CG 4.27Å |
| 242 | D | 97.5 | Very high | 93.9 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 165.5 | 170.7 | -66.8 | -62.8 | 0 | 0 | 0 | 110.8 | N209 K218 D244 H249 | N209-D242 WeakPolarHBondContact CB-OD1 3.31Å; N209-D242 PolarHBondContact ND2-OD1 3.17Å; K218-D242 IonicContact NZ-OD1 2.68Å; K218-D242 PolarHBondContact NZ-OD1 2.84Å; D242-D244 VanDerWaalsContact C-N 3.26Å; D242-D244 PolarHBondContact O-N 3.15Å; D242-H249 PolarHBondContact O-ND1 2.87Å |
| 243 | E | 96.7 | Very high | 94.3 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -78.9 | 70.4 | 170.7 | -175.5 | -164.6 | -173.9 | 0 | 0 | 111.2 | S193 W208 N209 R211 | S193-E243 WeakPolarHBondContact CA-OE2 3.43Å; S193-E243 WeakPolarHBondContact CB-OE2 3.32Å; S193-E243 VanDerWaalsContact OG-CD 3.29Å; S193-E243 PolarHBondContact OG-OE1 3.39Å; S193-E243 PolarHBondContact OG-OE2 3.18Å; W208-E243 HydrophobicContact CH2-CB 3.97Å; W208-E243 HydrophobicContact CH2-CG 4.03Å; W208-E243 HydrophobicContact CZ2-CB 3.49Å; W208-E243 VanDerWaalsContact CZ2-CB 3.49Å; W208-E243 HydrophobicContact CZ2-CG 3.52Å; N209-E243 WeakPolarHBondContact O-CB 3.38Å; N209-E243 PolarHBondContact O-N 2.91Å; R211-E243 VanDerWaalsContact CD-O 3.32Å; R211-E243 WeakPolarHBondContact CD-O 3.4Å; R211-E243 HydrophobicContact CG-CB 4.03Å; R211-E243 HydrophobicContact CG-CG 4.26Å; R211-E243 VanDerWaalsContact CG-O 3.23Å; R211-E243 WeakPolarHBondContact CG-O 3.34Å; R211-E243 WeakPolarHBondContact CG-OE2 3.16Å; R211-E243 IonicContact CZ-OE1 2.74Å; R211-E243 IonicContact CZ-OE2 3.9Å; R211-E243 PolarHBondContact N-OE2 2.99Å; R211-E243 VanDerWaalsContact NE-CD 3.27Å; R211-E243 IonicContact NE-OE1 2.7Å; R211-E243 PolarHBondContact NE-OE1 3.4Å; R211-E243 IonicContact NE-OE2 3.39Å; R211-E243 PolarHBondContact NE-OE2 3.16Å; R211-E243 IonicContact NH2-OE1 3.45Å; R211-E243 PolarHBondContact NH2-OE1 2.86Å; R211-E243 IonicContact NH2-OE2 3.18Å |
| 244 | D | 94.8 | Very high | 94.7 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -122.9 | -4.5 | -172.6 | 67.4 | -4.6 | 0 | 0 | 0 | 114.6 | D242 S246 | D242-D244 VanDerWaalsContact C-N 3.26Å; D242-D244 PolarHBondContact O-N 3.15Å; D244-S246 VanDerWaalsContact C-N 3.33Å; D244-S246 WeakPolarHBondContact OD1-CB 3.4Å; D244-S246 PolarHBondContact OD1-N 3.15Å; D244-S246 PolarHBondContact OD1-OG 2.92Å |
| 245 | G | 90.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 66.8 Ų | 66.8 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | trans | 79.3 | 11.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K250 | G245-K250 VanDerWaalsContact O-CE 3.23Å; G245-K250 WeakPolarHBondContact O-CE 3.4Å | ||
| 246 | S | 95.2 | Very high | 95.6 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | trans | -58.7 | 171.6 | 169.7 | 60 | 0 | 0 | 0 | 0 | 113.2 | D244 E248 H249 K250 | D244-S246 VanDerWaalsContact C-N 3.33Å; D244-S246 WeakPolarHBondContact OD1-CB 3.4Å; D244-S246 PolarHBondContact OD1-N 3.15Å; D244-S246 PolarHBondContact OD1-OG 2.92Å; S246-E248 VanDerWaalsContact C-N 3.33Å; S246-E248 WeakPolarHBondContact CB-OE2 3.28Å; S246-H249 PolarHBondContact O-N 3.19Å; S246-H249 WeakPolarHBondContact OG-CB 3.46Å; S246-H249 PolarHBondContact OG-N 2.82Å; S246-H249 VanDerWaalsContact OG-N 3.15Å; S246-K250 VanDerWaalsContact O-CG 3.31Å; S246-K250 WeakPolarHBondContact O-CG 3.4Å; S246-K250 PolarHBondContact O-N 2.98Å | ||
| 247 | E | 95.7 | Very high | 95.9 | Very high | 127 Ų | 127 | 61.9 Ų | 61.9 | 59% | 0.593 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.2 | -34.9 | 175.8 | -66 | -56.2 | 121.5 | 0 | 0 | 111.4 | K250 K251 | E247-K250 PolarHBondContact O-N 3.22Å; E247-K250 IonicContact OE1-NZ 3.31Å; E247-K250 PolarHBondContact OE1-NZ 3.37Å; E247-K251 VanDerWaalsContact O-CB 3.29Å; E247-K251 WeakPolarHBondContact O-CB 3.4Å; E247-K251 PolarHBondContact O-N 2.9Å |
| 248 | E | 95.5 | Very high | 96 | Very high | 97 Ų | 97 | 58.1 Ų | 58.1 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 172.9 | -64.7 | 78.4 | -175.3 | 0 | 0 | 110.9 | S246 K251 F252 | S246-E248 VanDerWaalsContact C-N 3.33Å; S246-E248 WeakPolarHBondContact CB-OE2 3.28Å; E248-K251 WeakPolarHBondContact O-CB 3.43Å; E248-K251 PolarHBondContact O-N 3.34Å; E248-F252 PolarHBondContact O-N 3.11Å |
| 249 | H | 95.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 173.8 | 173 | 80.9 | 0 | 0 | 0 | 111.6 | W208 T241 D242 S246 K251 F252 I253 | W208-H249 AromaticContact CD1-ND1 3.85Å; W208-H249 AromaticContact CE2-CE1 3.95Å; W208-H249 AromaticContact NE1-CE1 3.26Å; W208-H249 PolarHBondContact NE1-CE1 2.95Å; W208-H249 VanDerWaalsContact NE1-CE1 3.26Å; W208-H249 AromaticContact NE1-ND1 3.03Å; W208-H249 PolarHBondContact NE1-ND1 3.05Å; T241-H249 WeakPolarHBondContact OG1-CA 3.42Å; T241-H249 PolarHBondContact OG1-N 3.3Å; T241-H249 VanDerWaalsContact OG1-N 3.14Å; D242-H249 PolarHBondContact O-ND1 2.87Å; S246-H249 PolarHBondContact O-N 3.19Å; S246-H249 WeakPolarHBondContact OG-CB 3.46Å; S246-H249 PolarHBondContact OG-N 2.82Å; S246-H249 VanDerWaalsContact OG-N 3.15Å; H249-K251 VanDerWaalsContact C-N 3.3Å; H249-K251 PolarHBondContact O-N 3.38Å; H249-F252 WeakPolarHBondContact O-CB 3.4Å; H249-F252 PolarHBondContact O-N 3.08Å; H249-I253 WeakPolarHBondContact O-CG1 3.26Å; H249-I253 PolarHBondContact O-N 2.77Å |
| 250 | K | 96.5 | Very high | 95.8 | Very high | 108 Ų | 108 | 64.4 Ų | 64.4 | 47% | 0.47 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 179 | -70.2 | 170.3 | -166 | 164.7 | 0 | 111.7 | G245 S246 E247 I253 S254 | G245-K250 VanDerWaalsContact O-CE 3.23Å; G245-K250 WeakPolarHBondContact O-CE 3.4Å; S246-K250 VanDerWaalsContact O-CG 3.31Å; S246-K250 WeakPolarHBondContact O-CG 3.4Å; S246-K250 PolarHBondContact O-N 2.98Å; E247-K250 PolarHBondContact O-N 3.22Å; E247-K250 IonicContact OE1-NZ 3.31Å; E247-K250 PolarHBondContact OE1-NZ 3.37Å; K250-I253 PolarHBondContact O-N 2.8Å; K250-S254 WeakPolarHBondContact O-CB 3.47Å; K250-S254 PolarHBondContact O-N 3.48Å |
| 251 | K | 96.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 63.2 Ų | 63.2 | 37% | 0.37 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 174.8 | 176.2 | -171.3 | 167.5 | -161.8 | 0 | 110.7 | E239 E247 E248 H249 I253 S254 L255 | E239-K251 IonicContact OE1-NZ 3.89Å; E239-K251 PolarHBondContact OE1-NZ 3.31Å; E239-K251 IonicContact OE2-NZ 3.51Å; E239-K251 PolarHBondContact OE2-NZ 3.36Å; E247-K251 VanDerWaalsContact O-CB 3.29Å; E247-K251 WeakPolarHBondContact O-CB 3.4Å; E247-K251 PolarHBondContact O-N 2.9Å; E248-K251 WeakPolarHBondContact O-CB 3.43Å; E248-K251 PolarHBondContact O-N 3.34Å; H249-K251 VanDerWaalsContact C-N 3.3Å; H249-K251 PolarHBondContact O-N 3.38Å; K251-I253 PolarHBondContact O-N 2.94Å; K251-S254 WeakPolarHBondContact O-CB 3.35Å; K251-S254 PolarHBondContact O-N 2.77Å; K251-S254 VanDerWaalsContact O-N 3.14Å; K251-S254 PolarHBondContact O-OG 2.88Å; K251-L255 WeakPolarHBondContact O-CG 3.44Å; K251-L255 PolarHBondContact O-N 3.28Å |
| 252 | F | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.4 | -51.2 | 176.4 | 176.8 | -87.6 | 0 | 0 | 0 | 112 | L168 L191 L199 Y206 W208 T241 E248 H249 S254 L255 L256 | L168-F252 HydrophobicContact CD1-CZ 4.45Å; L191-F252 HydrophobicContact CD1-CE1 3.85Å; L191-F252 HydrophobicContact CD2-CE1 4.04Å; L191-F252 HydrophobicContact CD2-CZ 4.39Å; L199-F252 HydrophobicContact CB-CD2 4.4Å; L199-F252 HydrophobicContact CB-CE2 3.51Å; L199-F252 HydrophobicContact CB-CZ 4.02Å; L199-F252 HydrophobicContact CD2-CD2 4.35Å; L199-F252 HydrophobicContact CD2-CE2 4.11Å; L199-F252 HydrophobicContact CG-CE2 4.47Å; Y206-F252 HydrophobicContact CG-CD2 4.18Å; W208-F252 HydrophobicContact CB-CD1 3.85Å; W208-F252 HydrophobicContact CB-CD2 3.93Å; W208-F252 HydrophobicContact CB-CE1 3.48Å; W208-F252 VanDerWaalsContact CB-CE1 3.48Å; W208-F252 HydrophobicContact CB-CE2 3.55Å; W208-F252 HydrophobicContact CB-CG 4.06Å; W208-F252 HydrophobicContact CB-CZ 3.32Å; W208-F252 AromaticContact CD1-CD1 3.25Å; W208-F252 AromaticContact CD1-CE1 3.6Å; W208-F252 AromaticContact CD1-CG 3.74Å; W208-F252 HydrophobicContact CD2-CE1 4.22Å; W208-F252 AromaticContact CG-CD1 3.66Å; W208-F252 HydrophobicContact CG-CD1 3.66Å; W208-F252 AromaticContact CG-CE1 3.51Å; W208-F252 HydrophobicContact CG-CE1 3.51Å; W208-F252 HydrophobicContact CG-CE2 4.41Å; W208-F252 HydrophobicContact CG-CG 4.21Å; W208-F252 AromaticContact CG-CZ 3.92Å; W208-F252 HydrophobicContact CG-CZ 3.92Å; W208-F252 AromaticContact NE1-CD1 3.94Å; T241-F252 HydrophobicContact CG2-CB 4Å; T241-F252 HydrophobicContact CG2-CD2 4.46Å; T241-F252 HydrophobicContact CG2-CG 4.27Å; E248-F252 PolarHBondContact O-N 3.11Å; H249-F252 WeakPolarHBondContact O-CB 3.4Å; H249-F252 PolarHBondContact O-N 3.08Å; F252-S254 PolarHBondContact O-N 2.77Å; F252-L255 WeakPolarHBondContact O-CB 3.43Å; F252-L255 PolarHBondContact O-N 2.69Å; F252-L255 VanDerWaalsContact O-N 3.09Å; F252-L256 HydrophobicContact CE1-CD1 3.82Å; F252-L256 HydrophobicContact CZ-CD1 4.17Å |
| 253 | I | 96.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.7 | -36.5 | 178.9 | -63.6 | -59.7 | 0 | 0 | 0 | 111.6 | L191 H249 K250 K251 L255 L256 | L191-I253 HydrophobicContact CD1-CD1 3.36Å; H249-I253 WeakPolarHBondContact O-CG1 3.26Å; H249-I253 PolarHBondContact O-N 2.77Å; K250-I253 PolarHBondContact O-N 2.8Å; K251-I253 PolarHBondContact O-N 2.94Å; I253-L255 PolarHBondContact O-N 2.9Å; I253-L256 PolarHBondContact O-N 3.02Å |
| 254 | S | 96.1 | Very high | 93.4 | Very high | 88 Ų | 88 | 76.7 Ų | 76.7 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.4 | -22.4 | -179.7 | 80.4 | 0 | 0 | 0 | 0 | 114.1 | K250 K251 F252 L256 | K250-S254 WeakPolarHBondContact O-CB 3.47Å; K250-S254 PolarHBondContact O-N 3.48Å; K251-S254 WeakPolarHBondContact O-CB 3.35Å; K251-S254 PolarHBondContact O-N 2.77Å; K251-S254 VanDerWaalsContact O-N 3.14Å; K251-S254 PolarHBondContact O-OG 2.88Å; F252-S254 PolarHBondContact O-N 2.77Å; S254-L256 VanDerWaalsContact C-N 3.26Å; S254-L256 PolarHBondContact O-N 2.89Å |
| 255 | L | 96.2 | Very high | 92.9 | Very high | 54 Ų | 54 | 74.6 Ų | 74.6 | 28% | 0.283 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -16.7 | 176.4 | -62.4 | 171.5 | 0 | 0 | 0 | 112.5 | L199 Y206 K251 F252 I253 | L199-L255 HydrophobicContact CD2-CB 3.66Å; L199-L255 HydrophobicContact CD2-CD1 3.85Å; L199-L255 HydrophobicContact CD2-CG 4.42Å; Y206-L255 HydrophobicContact CD1-CD1 4.43Å; Y206-L255 HydrophobicContact CD2-CD1 3.94Å; Y206-L255 HydrophobicContact CE1-CD1 4Å; Y206-L255 HydrophobicContact CE2-CD1 3.45Å; Y206-L255 VanDerWaalsContact CE2-CD1 3.45Å; Y206-L255 HydrophobicContact CG-CD1 4.42Å; Y206-L255 VanDerWaalsContact CZ-CD1 3.49Å; K251-L255 WeakPolarHBondContact O-CG 3.44Å; K251-L255 PolarHBondContact O-N 3.28Å; F252-L255 WeakPolarHBondContact O-CB 3.43Å; F252-L255 PolarHBondContact O-N 2.69Å; F252-L255 VanDerWaalsContact O-N 3.09Å; I253-L255 PolarHBondContact O-N 2.9Å |
| 256 | L | 96.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.005 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -102.1 | 131.4 | -178.7 | -71.4 | 169.5 | 0 | 0 | 0 | 111.5 | L168 F186 R188 L191 L199 F252 I253 S254 | L168-L256 HydrophobicContact CD1-CD1 4.41Å; L168-L256 HydrophobicContact CD2-CD1 4.17Å; L168-L256 HydrophobicContact CD2-CD2 4.18Å; F186-L256 HydrophobicContact CD1-CD2 4.31Å; F186-L256 HydrophobicContact CD2-CD2 4.29Å; F186-L256 HydrophobicContact CE1-CD2 4.16Å; F186-L256 HydrophobicContact CE2-CD2 4.18Å; F186-L256 HydrophobicContact CG-CD2 4.37Å; F186-L256 HydrophobicContact CZ-CD2 4.09Å; R188-L256 HydrophobicContact CB-CB 4Å; R188-L256 PolarHBondContact NE-O 2.91Å; R188-L256 PolarHBondContact NH2-O 3.03Å; R188-L256 VanDerWaalsContact NH2-O 3.12Å; L191-L256 HydrophobicContact CD1-CD1 3.93Å; L191-L256 HydrophobicContact CD2-CD1 4.19Å; L191-L256 HydrophobicContact CG-CD1 4.21Å; L199-L256 HydrophobicContact CD1-CD2 3.95Å; L199-L256 HydrophobicContact CD2-CG 4.4Å; F252-L256 HydrophobicContact CE1-CD1 3.82Å; F252-L256 HydrophobicContact CZ-CD1 4.17Å; I253-L256 PolarHBondContact O-N 3.02Å; S254-L256 VanDerWaalsContact C-N 3.26Å; S254-L256 PolarHBondContact O-N 2.89Å |
| 257 | P | 96.4 | Very high | 92.1 | Very high | 49 Ų | 49 | 82 Ų | 82 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | trans | -73.2 | 160.7 | 178.4 | 34.9 | -38 | 0 | 0 | 0 | 111.3 | F186 S187 R188 V259 | F186-P257 HydrophobicContact CD1-CG 4.03Å; F186-P257 HydrophobicContact CE1-CG 4.43Å; F186-P257 WeakPolarHBondContact O-CD 3.5Å; F186-P257 WeakPolarHBondContact O-CG 3.26Å; S187-P257 WeakPolarHBondContact CA-O 3.42Å; S187-P257 PolarHBondContact OG-O 2.64Å; R188-P257 PolarHBondContact N-O 2.98Å; P257-V259 HydrophobicContact CB-CG2 3.95Å; P257-V259 HydrophobicContact CG-CG2 4.08Å; P257-V259 PolarHBondContact O-N 2.91Å | ||
| 258 | D | 95.4 | Very high | 91.8 | Very high | 79 Ų | 79 | 82.3 Ų | 82.3 | 42% | 0.422 | 43% | 0.425 | S | S | . | . | trans | -94.3 | 73.8 | 173.5 | -149.4 | -31.6 | 0 | 0 | 0 | 110.6 | R188 R189 | R188-D258 VanDerWaalsContact CZ-CB 3.4Å; R188-D258 IonicContact CZ-OD2 3.6Å; R188-D258 IonicContact NE-OD2 3.13Å; R188-D258 VanDerWaalsContact NH1-CG 3.27Å; R188-D258 IonicContact NH1-OD2 3Å; R188-D258 PolarHBondContact NH1-OD2 3.27Å; R189-D258 IonicContact CZ-OD1 2.75Å; R189-D258 IonicContact NE-OD1 3.9Å; R189-D258 PolarHBondContact NE-OD1 3.39Å; R189-D258 IonicContact NH2-OD1 3.39Å; R189-D258 PolarHBondContact NH2-OD1 2.94Å; R189-D258 VanDerWaalsContact NH2-OD1 3.13Å | ||
| 259 | V | 94.6 | Very high | 91.5 | Very high | 83 Ų | 83 | 83.7 Ų | 83.7 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | trans | -107.4 | 136.7 | 179.7 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | S187 R189 P257 I261 | S187-V259 PolarHBondContact OG-N 3.27Å; S187-V259 PolarHBondContact OG-O 2.7Å; R189-V259 WeakPolarHBondContact CD-O 3.5Å; P257-V259 HydrophobicContact CB-CG2 3.95Å; P257-V259 HydrophobicContact CG-CG2 4.08Å; P257-V259 PolarHBondContact O-N 2.91Å; V259-I261 PolarHBondContact O-N 3.29Å | ||
| 260 | E | 93.1 | Very high | 91.3 | Very high | 158 Ų | 158 | 83 Ų | 83 | 74% | 0.738 | 44% | 0.436 | S | S | * | . | trans | -55.7 | 134.1 | 170.3 | -77.9 | -174.9 | 170.7 | 0 | 0 | 110.5 | R189 | R189-E260 IonicContact NH1-OE1 3.11Š| ||
| 261 | I | 91.9 | Very high | 91.1 | Very high | 56 Ų | 56 | 84.2 Ų | 84.2 | 29% | 0.287 | 44% | 0.441 | S | S | . | . | trans | -108.2 | 143.4 | 175.2 | 62.5 | 169.6 | 0 | 0 | 0 | 107.8 | P185 R189 V259 | P185-I261 HydrophobicContact CB-CB 4.44Å; P185-I261 HydrophobicContact CB-CG2 3.69Å; P185-I261 HydrophobicContact CG-CB 4.34Å; P185-I261 HydrophobicContact CG-CG2 4.11Å; R189-I261 HydrophobicContact CB-CD1 4.2Å; R189-I261 HydrophobicContact CB-CG1 4.13Å; R189-I261 HydrophobicContact CB-CG2 4.31Å; R189-I261 VanDerWaalsContact O-CD1 3.22Å; R189-I261 WeakPolarHBondContact O-CD1 3.4Å; V259-I261 PolarHBondContact O-N 3.29Å | ||
| 262 | G | 84.8 | Confident | 91.1 | Very high | 67 Ų | 67 | 84 Ų | 84 | 69% | 0.691 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 150.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K264 | G262-K264 PolarHBondContact O-N 3.07Š|
| 263 | E | 81.2 | Confident | 91.1 | Very high | 191 Ų | 191 | 84.3 Ų | 84.3 | 89% | 0.893 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 137.4 | 174.6 | -69.1 | -173.4 | 160.6 | 0 | 0 | 110.4 | V265 | E263-V265 PolarHBondContact O-N 3.27Š|
| 264 | K | 81.3 | Confident | 91.2 | Very high | 125 Ų | 125 | 82.3 Ų | 82.3 | 54% | 0.543 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 127.2 | 169.9 | -71.3 | -175.5 | -179.2 | 179.2 | 0 | 106.9 | D192 G262 Q266 | D192-K264 IonicContact OD2-NZ 3.99Å; G262-K264 PolarHBondContact O-N 3.07Å; K264-Q266 PolarHBondContact O-N 3.48Å |
| 265 | V | 83.2 | Confident | 91.2 | Very high | 58 Ų | 58 | 80.9 Ų | 80.9 | 35% | 0.352 | 41% | 0.413 | S | S | . | . | trans | -63.2 | 115.6 | 176.2 | -178 | 0 | 0 | 0 | 0 | 107.4 | Y10 F133 E263 F344 | Y10-V265 HydrophobicContact CE2-CG2 4.35Å; F133-V265 HydrophobicContact CE2-CB 4.43Å; F133-V265 HydrophobicContact CE2-CG1 4.06Å; F133-V265 HydrophobicContact CZ-CB 4.42Å; F133-V265 HydrophobicContact CZ-CG1 3.98Å; E263-V265 PolarHBondContact O-N 3.27Å; V265-F344 HydrophobicContact CG1-CD2 4Å; V265-F344 HydrophobicContact CG1-CE2 3.52Å; V265-F344 HydrophobicContact CG1-CZ 4.35Å | ||
| 266 | Q | 83.3 | Confident | 91.1 | Very high | 178 Ų | 178 | 81.7 Ų | 81.7 | 83% | 0.832 | 41% | 0.413 | S | S | * | . | trans | -109.3 | 137.7 | 172.2 | -66 | -177.3 | -3.2 | 0 | 0 | 107.8 | K264 | K264-Q266 PolarHBondContact O-N 3.48Š| ||
| 267 | Q | 86.5 | Confident | 90.9 | Very high | 43 Ų | 43 | 81.7 Ų | 81.7 | 20% | 0.201 | 41% | 0.412 | C | S | . | . | trans | -112.5 | 146.9 | 168.8 | 101.9 | 177.5 | -6.3 | 0 | 0 | 109.2 | F133 H342 F344 | F133-Q267 HydrophobicContact CD1-CG 4.3Å; F133-Q267 HydrophobicContact CE1-CB 3.87Å; F133-Q267 HydrophobicContact CE1-CG 3.9Å; F133-Q267 HydrophobicContact CZ-CB 4.33Å; Q267-H342 VanDerWaalsContact CD-CA 3.46Å; Q267-H342 HydrophobicContact CG-CB 3.83Å; Q267-H342 PolarHBondContact OE1-O 3.06Å; Q267-F344 VanDerWaalsContact OE1-N 3.09Å | ||
| 268 | K | 89.6 | Confident | 90.6 | Very high | 135 Ų | 135 | 79.7 Ų | 79.7 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | trans | -75.3 | 155 | 176.2 | -63.3 | 179.1 | -171.6 | 162.2 | 0 | 109.5 | G270 D341 H342 | K268-G270 PolarHBondContact O-N 2.95Å; K268-D341 HydrophobicContact CB-CB 4.2Å; K268-D341 HydrophobicContact CD-CB 4.18Å; K268-D341 PolarHBondContact N-O 3.09Å; K268-D341 IonicContact NZ-OD2 3.37Å; K268-H342 WeakPolarHBondContact O-CB 3.47Å | ||
| 269 | I | 89.3 | Confident | 90.2 | Very high | 125 Ų | 125 | 77.8 Ų | 77.8 | 64% | 0.641 | 39% | 0.39 | S | S | * | . | trans | -70.9 | 119.8 | 165.1 | -59.8 | 173.8 | 0 | 0 | 0 | 107.2 | Q311 | I269-Q311 HydrophobicContact CG1-CG 4.25Å; I269-Q311 HydrophobicContact CG2-CG 4.01Å | ||
| 270 | G | 90.9 | Very high | 89.8 | Confident | 18 Ų | 18 | 81 Ų | 81 | 19% | 0.186 | 40% | 0.399 | C | S | . | . | trans | -69.2 | 179.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | K268 G310 | K268-G270 PolarHBondContact O-N 2.95Å; G270-G310 VanDerWaalsContact C-CA 3.41Å; G270-G310 PolarHBondContact N-O 3.05Å; G270-G310 WeakPolarHBondContact O-CA 3.39Å | ||
| 271 | K | 93.1 | Very high | 89.3 | Confident | 132 Ų | 132 | 77 Ų | 77 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | trans | -88 | 151 | 174.7 | -66.5 | -178 | 175.8 | -176.1 | 0 | 110.6 | V273 E291 | K271-V273 HydrophobicContact CB-CG1 4.46Å; K271-V273 PolarHBondContact O-N 3.07Å; K271-E291 IonicContact NZ-OE1 3.99Å; K271-E291 PolarHBondContact NZ-OE1 3.22Å | ||
| 272 | K | 95.9 | Very high | 88.9 | Confident | 81 Ų | 81 | 76.9 Ų | 76.9 | 35% | 0.352 | 40% | 0.402 | S | S | . | . | trans | -70.4 | 119.3 | 168.1 | -67 | -172.6 | -178.5 | -165 | 0 | 110.1 | N292 L294 D308 E364 | K272-N292 WeakPolarHBondContact O-CA 3.32Å; K272-N292 PolarHBondContact O-N 3.49Å; K272-L294 HydrophobicContact CB-CD2 4.2Å; K272-L294 HydrophobicContact CB-CG 4.12Å; K272-L294 HydrophobicContact CD-CD1 4.26Å; K272-L294 HydrophobicContact CD-CG 4.19Å; K272-L294 HydrophobicContact CG-CD1 4.34Å; K272-L294 HydrophobicContact CG-CG 4.38Å; K272-D308 CarbonylContact C-O 3.5Å; K272-D308 VanDerWaalsContact CA-O 3.26Å; K272-D308 WeakPolarHBondContact CA-O 3.49Å; K272-E364 IonicContact NZ-OE1 3.93Å; K272-E364 PolarHBondContact NZ-OE1 3.49Å | ||
| 273 | V | 96.9 | Very high | 88.8 | Confident | 7 Ų | 7 | 80.8 Ų | 80.8 | 4% | 0.042 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 146.9 | 179.5 | -72 | 0 | 0 | 0 | 0 | 111.8 | K271 Y275 L288 C290 E291 D308 Y336 | K271-V273 HydrophobicContact CB-CG1 4.46Å; K271-V273 PolarHBondContact O-N 3.07Å; V273-Y275 HydrophobicContact CB-CD2 4.49Å; V273-Y275 HydrophobicContact CB-CE2 3.94Å; V273-Y275 HydrophobicContact CG2-CD2 4.21Å; V273-Y275 HydrophobicContact CG2-CE2 3.57Å; V273-L288 HydrophobicContact CB-CD1 4.33Å; V273-L288 HydrophobicContact CG1-CD1 4.34Å; V273-C290 WeakPolarHBondContact CA-O 3.39Å; V273-E291 HydrophobicContact CG1-CB 4.37Å; V273-E291 HydrophobicContact CG1-CG 3.84Å; V273-D308 HydrophobicContact CG2-CB 3.62Å; V273-D308 PolarHBondContact N-O 3.45Å; V273-D308 PolarHBondContact O-N 3.41Å; V273-Y336 WeakPolarHBondContact CG2-OH 3.42Å |
| 274 | I | 97.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.9 | 169.5 | -58.7 | -178.6 | 0 | 0 | 0 | 108.3 | V289 C290 L294 L299 Y305 L306 I307 | I274-V289 HydrophobicContact CB-CB 4.36Å; I274-V289 HydrophobicContact CG2-CB 4.11Å; I274-V289 HydrophobicContact CG2-CG2 4.46Å; I274-V289 WeakPolarHBondContact O-CB 3.4Å; I274-V289 PolarHBondContact O-N 3.31Å; I274-C290 HydrophobicContact CB-CB 4.06Å; I274-C290 HydrophobicContact CD1-CB 4.36Å; I274-C290 HydrophobicContact CG1-CB 4.28Å; I274-C290 PolarHBondContact N-O 3.23Å; I274-C290 PolarHBondContact O-N 2.98Å; I274-L294 HydrophobicContact CD1-CD2 4.23Å; I274-L294 HydrophobicContact CG1-CD2 3.66Å; I274-L299 HydrophobicContact CD1-CD2 4.39Å; I274-L299 HydrophobicContact CG2-CD2 4.23Å; I274-Y305 HydrophobicContact CG2-CD1 3.91Å; I274-L306 CarbonylContact C-O 3.58Å; I274-L306 WeakPolarHBondContact CA-O 3.35Å; I274-I307 HydrophobicContact CG1-CG1 4.5Å; I274-I307 HydrophobicContact CG1-CG2 4.31Å; I274-I307 HydrophobicContact CG2-CG1 4.46Å |
| 275 | Y | 96.1 | Very high | 89.3 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 23% | 0.227 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 147.5 | 166.8 | -64.2 | -92.5 | 0 | 0 | 0 | 110.7 | V273 I286 S287 L288 Y305 L306 Y336 | V273-Y275 HydrophobicContact CB-CD2 4.49Å; V273-Y275 HydrophobicContact CB-CE2 3.94Å; V273-Y275 HydrophobicContact CG2-CD2 4.21Å; V273-Y275 HydrophobicContact CG2-CE2 3.57Å; Y275-I286 HydrophobicContact CD1-CG2 3.91Å; Y275-I286 HydrophobicContact CG-CG2 4.02Å; Y275-S287 CarbonylContact C-O 3.58Å; Y275-S287 VanDerWaalsContact CA-O 3.26Å; Y275-S287 WeakPolarHBondContact CA-O 3.42Å; Y275-L288 HydrophobicContact CD1-CB 4.11Å; Y275-L288 HydrophobicContact CD1-CD1 4.24Å; Y275-L288 HydrophobicContact CE1-CB 3.9Å; Y275-L288 HydrophobicContact CE1-CD1 3.82Å; Y275-L288 HydrophobicContact CE1-CG 4.47Å; Y275-L288 HydrophobicContact CE2-CD1 4.31Å; Y275-Y305 CarbonylContact O-C 3.58Å; Y275-Y305 VanDerWaalsContact O-CA 3.25Å; Y275-Y305 WeakPolarHBondContact O-CA 3.46Å; Y275-L306 PolarHBondContact N-O 3.03Å; Y275-L306 PolarHBondContact O-N 3.41Å; Y275-Y336 HydrophobicContact CD2-CD2 4.41Å; Y275-Y336 AromaticContact CD2-CE2 3.77Å; Y275-Y336 HydrophobicContact CD2-CE2 3.77Å; Y275-Y336 HydrophobicContact CE2-CD2 4.29Å; Y275-Y336 AromaticContact CE2-CE2 3.31Å; Y275-Y336 HydrophobicContact CE2-CE2 3.31Å; Y275-Y336 AromaticContact CE2-CZ 3.67Å; Y275-Y336 WeakPolarHBondContact CE2-OH 3.47Å; Y275-Y336 AromaticContact CZ-CE2 3.93Å |
| 276 | R | 94.9 | Very high | 89.6 | Confident | 72 Ų | 72 | 74.1 Ų | 74.1 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.2 | 170.2 | -177.4 | 178.8 | 84.1 | 132.3 | -2 | 109 | E280 I286 S287 V289 D303 Y305 | R276-E280 IonicContact NH1-OE2 3.56Å; R276-E280 IonicContact NH2-OE2 2.98Å; R276-I286 CarbonylContact O-C 3.51Å; R276-I286 WeakPolarHBondContact O-CA 3.31Å; R276-S287 PolarHBondContact N-O 3.15Å; R276-S287 PolarHBondContact O-N 3.12Å; R276-S287 PolarHBondContact O-OG 2.98Å; R276-V289 HydrophobicContact CB-CG2 3.46Å; R276-V289 VanDerWaalsContact CB-CG2 3.46Å; R276-D303 VanDerWaalsContact CD-OD2 3.28Å; R276-D303 WeakPolarHBondContact CD-OD2 3.29Å; R276-D303 HydrophobicContact CG-CB 3.87Å; R276-D303 IonicContact CZ-OD2 3.4Å; R276-D303 IonicContact NE-OD2 3.89Å; R276-D303 IonicContact NH1-OD2 3.77Å; R276-D303 PolarHBondContact NH1-OD2 2.78Å; R276-Y305 HydrophobicContact CB-CD1 4.14Å; R276-Y305 HydrophobicContact CB-CE1 3.92Å; R276-Y305 HydrophobicContact CG-CD1 4.45Å; R276-Y305 HydrophobicContact CG-CE1 3.97Å |
| 277 | V | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 110.9 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | M284 E285 I286 V304 L306 | V277-M284 HydrophobicContact CG1-CE 3.29Å; V277-E285 WeakPolarHBondContact CA-O 3.33Å; V277-I286 HydrophobicContact CG2-CD1 4.49Å; V277-I286 HydrophobicContact CG2-CG1 4.15Å; V277-I286 HydrophobicContact CG2-CG2 4.39Å; V277-V304 HydrophobicContact CB-CB 4.07Å; V277-V304 HydrophobicContact CB-CG1 4.23Å; V277-V304 PolarHBondContact N-O 2.85Å; V277-V304 PolarHBondContact O-N 3.47Å; V277-L306 HydrophobicContact CG2-CD1 4.04Å; V277-L306 HydrophobicContact CG2-CD2 4.37Å; V277-L306 HydrophobicContact CG2-CG 3.78Å |
| 278 | S | 90.8 | Very high | 90.6 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.4 | -172.7 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | E280 E285 D303 E325 | S278-E280 PolarHBondContact OG-N 3.44Å; S278-E285 PolarHBondContact N-O 3.37Å; S278-E285 PolarHBondContact O-N 3Å; S278-D303 WeakPolarHBondContact CB-OD1 3.42Å; S278-D303 PolarHBondContact OG-OD1 2.77Å; S278-E325 VanDerWaalsContact CA-OE1 3.23Å; S278-E325 WeakPolarHBondContact CA-OE1 3.31Å; S278-E325 PolarHBondContact OG-OE1 3.17Å |
| 279 | D | 86.8 | Confident | 90.9 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | trans | -106.5 | 10.3 | 172.7 | 75.8 | 5.3 | 0 | 0 | 0 | 114.7 | S281 G282 K283 M284 S322 R324 E325 | D279-S281 PolarHBondContact O-N 3.49Å; D279-S281 VanDerWaalsContact O-N 3.08Å; D279-G282 WeakPolarHBondContact O-CA 3.28Å; D279-G282 PolarHBondContact O-N 3.03Å; D279-K283 WeakPolarHBondContact CA-O 3.4Å; D279-M284 HydrophobicContact CB-SD 3.66Å; D279-S322 WeakPolarHBondContact OD1-CB 3.36Å; D279-S322 WeakPolarHBondContact OD2-CB 3.48Å; D279-S322 PolarHBondContact OD2-OG 2.84Å; D279-R324 WeakPolarHBondContact OD2-CB 3.29Å; D279-E325 HydrophobicContact CB-CG 4.29Å; D279-E325 PolarHBondContact N-OE1 3.5Å | ||
| 280 | E | 85.8 | Confident | 91.2 | Very high | 150 Ų | 150 | 61.5 Ų | 61.5 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.2 | -177 | -171.9 | 178.9 | -163.8 | 0 | 0 | 113.4 | R276 S278 G282 | R276-E280 IonicContact NH1-OE2 3.56Å; R276-E280 IonicContact NH2-OE2 2.98Å; S278-E280 PolarHBondContact OG-N 3.44Å; E280-G282 PolarHBondContact O-N 3.21Å |
| 281 | S | 84.1 | Confident | 91.3 | Very high | 73 Ų | 73 | 65.1 Ų | 65.1 | 51% | 0.51 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -3.2 | 176.9 | 77.1 | 0 | 0 | 0 | 0 | 114 | D279 K283 E285 | D279-S281 PolarHBondContact O-N 3.49Å; D279-S281 VanDerWaalsContact O-N 3.08Å; S281-K283 VanDerWaalsContact C-N 3.32Å; S281-K283 PolarHBondContact OG-N 2.93Å; S281-K283 PolarHBondContact OG-O 3.48Å; S281-E285 WeakPolarHBondContact CB-OE1 3.18Å; S281-E285 VanDerWaalsContact OG-CD 3.26Å; S281-E285 PolarHBondContact OG-OE1 3.45Å |
| 282 | G | 81.5 | Confident | 91.4 | Very high | 55 Ų | 55 | 64 Ų | 64 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 87.9 | -5.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D279 E280 | D279-G282 WeakPolarHBondContact O-CA 3.28Å; D279-G282 PolarHBondContact O-N 3.03Å; E280-G282 PolarHBondContact O-N 3.21Å |
| 283 | K | 84.4 | Confident | 91.3 | Very high | 149 Ų | 149 | 61.5 Ų | 61.5 | 65% | 0.648 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -131.6 | 149.9 | 174 | -64.6 | 179.9 | -177.3 | 175.8 | 0 | 109.2 | D279 S281 E285 | D279-K283 WeakPolarHBondContact CA-O 3.4Å; S281-K283 VanDerWaalsContact C-N 3.32Å; S281-K283 PolarHBondContact OG-N 2.93Å; S281-K283 PolarHBondContact OG-O 3.48Å; K283-E285 PolarHBondContact O-N 3.23Å |
| 284 | M | 83.6 | Confident | 91.2 | Very high | 50 Ų | 50 | 61.2 Ų | 61.2 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | trans | -65.3 | 120.5 | 172.5 | -72.3 | -58.2 | -55.5 | 0 | 0 | 109.8 | V277 D279 R324 E325 | V277-M284 HydrophobicContact CG1-CE 3.29Å; D279-M284 HydrophobicContact CB-SD 3.66Å; M284-R324 HydrophobicContact CG-CG 4.27Å; M284-R324 HydrophobicContact SD-CB 4.45Å; M284-R324 HydrophobicContact SD-CG 3.94Å; M284-E325 HydrophobicContact CE-CB 4.45Å; M284-E325 HydrophobicContact CE-CG 4.13Å; M284-E325 HydrophobicContact SD-CG 4.12Å | ||
| 285 | E | 88.1 | Confident | 91.2 | Very high | 105 Ų | 105 | 62.6 Ų | 62.6 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 142.9 | 178.2 | -72.8 | 179.2 | -158.7 | 0 | 0 | 111 | V277 S278 S281 K283 | V277-E285 WeakPolarHBondContact CA-O 3.33Å; S278-E285 PolarHBondContact N-O 3.37Å; S278-E285 PolarHBondContact O-N 3Å; S281-E285 WeakPolarHBondContact CB-OE1 3.18Å; S281-E285 VanDerWaalsContact OG-CD 3.26Å; S281-E285 PolarHBondContact OG-OE1 3.45Å; K283-E285 PolarHBondContact O-N 3.23Å |
| 286 | I | 91.2 | Very high | 91 | Very high | 78 Ų | 78 | 65.4 Ų | 65.4 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 110.6 | 174.3 | -52.6 | -174.8 | 0 | 0 | 0 | 107.7 | Y275 R276 V277 L306 | Y275-I286 HydrophobicContact CD1-CG2 3.91Å; Y275-I286 HydrophobicContact CG-CG2 4.02Å; R276-I286 CarbonylContact O-C 3.51Å; R276-I286 WeakPolarHBondContact O-CA 3.31Å; V277-I286 HydrophobicContact CG2-CD1 4.49Å; V277-I286 HydrophobicContact CG2-CG1 4.15Å; V277-I286 HydrophobicContact CG2-CG2 4.39Å; I286-L306 HydrophobicContact CG2-CD1 4.48Å |
| 287 | S | 94 | Very high | 90.9 | Very high | 44 Ų | 44 | 67.3 Ų | 67.3 | 31% | 0.308 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.3 | -176.9 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | Y275 R276 | Y275-S287 CarbonylContact C-O 3.58Å; Y275-S287 VanDerWaalsContact CA-O 3.26Å; Y275-S287 WeakPolarHBondContact CA-O 3.42Å; R276-S287 PolarHBondContact N-O 3.15Å; R276-S287 PolarHBondContact O-N 3.12Å; R276-S287 PolarHBondContact O-OG 2.98Å |
| 288 | L | 96.1 | Very high | 90.9 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 47% | 0.466 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 130.3 | 175.9 | -178.7 | 69 | 0 | 0 | 0 | 110.3 | V273 Y275 C290 | V273-L288 HydrophobicContact CB-CD1 4.33Å; V273-L288 HydrophobicContact CG1-CD1 4.34Å; Y275-L288 HydrophobicContact CD1-CB 4.11Å; Y275-L288 HydrophobicContact CD1-CD1 4.24Å; Y275-L288 HydrophobicContact CE1-CB 3.9Å; Y275-L288 HydrophobicContact CE1-CD1 3.82Å; Y275-L288 HydrophobicContact CE1-CG 4.47Å; Y275-L288 HydrophobicContact CE2-CD1 4.31Å; L288-C290 WeakPolarHBondContact CD1-O 3.4Å |
| 289 | V | 96.3 | Very high | 91 | Very high | 60 Ų | 60 | 69.7 Ų | 69.7 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -47.1 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | I274 R276 Y305 | I274-V289 HydrophobicContact CB-CB 4.36Å; I274-V289 HydrophobicContact CG2-CB 4.11Å; I274-V289 HydrophobicContact CG2-CG2 4.46Å; I274-V289 WeakPolarHBondContact O-CB 3.4Å; I274-V289 PolarHBondContact O-N 3.31Å; R276-V289 HydrophobicContact CB-CG2 3.46Å; R276-V289 VanDerWaalsContact CB-CG2 3.46Å; V289-Y305 HydrophobicContact CG2-CE1 4.26Å |
| 290 | C | 94.7 | Very high | 91.2 | Very high | 24 Ų | 24 | 70.4 Ų | 70.4 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142.8 | -177.3 | -159.7 | 0 | 0 | 0 | 0 | 110.7 | V273 I274 L288 A293 | V273-C290 WeakPolarHBondContact CA-O 3.39Å; I274-C290 HydrophobicContact CB-CB 4.06Å; I274-C290 HydrophobicContact CD1-CB 4.36Å; I274-C290 HydrophobicContact CG1-CB 4.28Å; I274-C290 PolarHBondContact N-O 3.23Å; I274-C290 PolarHBondContact O-N 2.98Å; L288-C290 WeakPolarHBondContact CD1-O 3.4Å; C290-A293 PolarHBondContact SG-O 2.99Å |
| 291 | E | 94.4 | Very high | 91.4 | Very high | 94 Ų | 94 | 67.2 Ų | 67.2 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 140.5 | 172.8 | -164.3 | -173 | 175.2 | 0 | 0 | 109.3 | K271 V273 A293 | K271-E291 IonicContact NZ-OE1 3.99Å; K271-E291 PolarHBondContact NZ-OE1 3.22Å; V273-E291 HydrophobicContact CG1-CB 4.37Å; V273-E291 HydrophobicContact CG1-CG 3.84Å; E291-A293 PolarHBondContact O-N 2.68Å |
| 292 | N | 93.5 | Very high | 91.7 | Very high | 107 Ų | 107 | 67.6 Ų | 67.6 | 57% | 0.572 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 65.1 | 7.1 | 179 | -52.3 | -60.5 | 0 | 0 | 0 | 116.3 | K272 | K272-N292 WeakPolarHBondContact O-CA 3.32Å; K272-N292 PolarHBondContact O-N 3.49Å |
| 293 | A | 94.2 | Very high | 92.2 | Very high | 29 Ų | 29 | 65.7 Ų | 65.7 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | trans | -146.9 | 157.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | C290 E291 E364 | C290-A293 PolarHBondContact SG-O 2.99Å; E291-A293 PolarHBondContact O-N 2.68Å; A293-E364 WeakPolarHBondContact CA-OE2 3.23Å; A293-E364 WeakPolarHBondContact CB-OE2 3.31Å | ||
| 294 | L | 96 | Very high | 92.6 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | trans | -125.1 | 55.5 | 179 | -60.2 | 178 | 0 | 0 | 0 | 112.2 | K272 I274 K296 I307 V362 L363 E364 | K272-L294 HydrophobicContact CB-CD2 4.2Å; K272-L294 HydrophobicContact CB-CG 4.12Å; K272-L294 HydrophobicContact CD-CD1 4.26Å; K272-L294 HydrophobicContact CD-CG 4.19Å; K272-L294 HydrophobicContact CG-CD1 4.34Å; K272-L294 HydrophobicContact CG-CG 4.38Å; I274-L294 HydrophobicContact CD1-CD2 4.23Å; I274-L294 HydrophobicContact CG1-CD2 3.66Å; L294-K296 PolarHBondContact O-N 3.38Å; L294-I307 HydrophobicContact CD1-CG2 4.37Å; L294-I307 HydrophobicContact CD2-CG2 3.96Å; L294-V362 HydrophobicContact CD1-CB 4.29Å; L294-V362 WeakPolarHBondContact CD1-O 3.48Å; L294-L363 HydrophobicContact CB-CD2 4.34Å; L294-L363 WeakPolarHBondContact O-CA 3.45Å; L294-L363 WeakPolarHBondContact O-CD2 3.1Å; L294-E364 PolarHBondContact N-OE2 2.7Å; L294-E364 VanDerWaalsContact N-OE2 3.09Å; L294-E364 PolarHBondContact O-N 3.49Å | ||
| 295 | P | 95.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | trans | -66.5 | 128.9 | -173.8 | 28.7 | -35.9 | 0 | 0 | 0 | 111.5 | S297 S298 E364 | P295-S297 PolarHBondContact O-N 3.12Å; P295-S297 VanDerWaalsContact O-N 3.11Å; P295-S298 WeakPolarHBondContact CG-OG 3.32Å; P295-S298 PolarHBondContact O-N 2.89Å; P295-E364 WeakPolarHBondContact CA-O 3.44Å | ||
| 296 | K | 92.6 | Very high | 93.5 | Very high | 118 Ų | 118 | 51.5 Ų | 51.5 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -58.7 | -27.5 | 177.2 | -172.1 | 162.1 | -174.4 | 158.8 | 0 | 112.9 | L294 S298 L299 D360 L363 E364 | L294-K296 PolarHBondContact O-N 3.38Å; K296-S298 PolarHBondContact O-N 2.88Å; K296-L299 PolarHBondContact O-N 2.83Å; K296-D360 IonicContact NZ-OD1 2.68Å; K296-D360 PolarHBondContact NZ-OD1 2.84Å; K296-L363 HydrophobicContact CB-CB 4.29Å; K296-L363 HydrophobicContact CB-CD1 4.41Å; K296-L363 HydrophobicContact CD-CD1 4.31Å; K296-L363 HydrophobicContact CG-CD1 4.16Å; K296-E364 PolarHBondContact N-O 2.86Å; K296-E364 VanDerWaalsContact N-O 3.08Å |
| 297 | S | 93.2 | Very high | 93.8 | Very high | 112 Ų | 112 | 47.8 Ų | 47.8 | 78% | 0.783 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -68.7 | -14.4 | 178.5 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | P295 L299 | P295-S297 PolarHBondContact O-N 3.12Å; P295-S297 VanDerWaalsContact O-N 3.11Å; S297-L299 VanDerWaalsContact C-N 3.28Å |
| 298 | S | 92.5 | Very high | 93.9 | Very high | 31 Ų | 31 | 45.8 Ų | 45.8 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -79.4 | -9.4 | 175.7 | -73.7 | 0 | 0 | 0 | 0 | 113.9 | P295 K296 Y305 | P295-S298 WeakPolarHBondContact CG-OG 3.32Å; P295-S298 PolarHBondContact O-N 2.89Å; K296-S298 PolarHBondContact O-N 2.88Å; S298-Y305 WeakPolarHBondContact O-CE1 3.4Å |
| 299 | L | 92.2 | Very high | 93.9 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | trans | -94.5 | 124.7 | -178.9 | -50.5 | -179.9 | 0 | 0 | 0 | 109.8 | I274 K296 S297 Y305 I307 Y316 L363 | I274-L299 HydrophobicContact CD1-CD2 4.39Å; I274-L299 HydrophobicContact CG2-CD2 4.23Å; K296-L299 PolarHBondContact O-N 2.83Å; S297-L299 VanDerWaalsContact C-N 3.28Å; L299-Y305 HydrophobicContact CD2-CD1 3.87Å; L299-Y305 HydrophobicContact CD2-CD2 4.34Å; L299-Y305 HydrophobicContact CD2-CE1 4.49Å; L299-Y305 HydrophobicContact CD2-CG 3.77Å; L299-I307 HydrophobicContact CD1-CD1 3.74Å; L299-I307 HydrophobicContact CD2-CD1 3.76Å; L299-I307 HydrophobicContact CD2-CG1 4.04Å; L299-I307 HydrophobicContact CG-CD1 4.42Å; L299-Y316 HydrophobicContact CB-CD1 4.35Å; L299-Y316 HydrophobicContact CB-CE1 4.19Å; L299-Y316 HydrophobicContact CD1-CG 4.48Å; L299-L363 HydrophobicContact CD1-CD1 3.82Å; L299-L363 HydrophobicContact CD1-CD2 4.04Å | ||
| 300 | T | 91.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 39.7 Ų | 39.7 | 33% | 0.331 | 22% | 0.223 | S | C | . | . | trans | -108.5 | 169.5 | 172.6 | 73.7 | 0 | 0 | 0 | 0 | 110.9 | D302 Y305 Y316 | T300-D302 VanDerWaalsContact C-N 3.25Å; T300-D302 PolarHBondContact O-N 2.83Å; T300-D302 PolarHBondContact OG1-N 2.77Å; T300-Y305 WeakPolarHBondContact CG2-OH 3.5Å; T300-Y305 PolarHBondContact N-OH 2.76Å; T300-Y305 PolarHBondContact OG1-OH 2.81Å; T300-Y316 VanDerWaalsContact O-CE1 3.28Å; T300-Y316 WeakPolarHBondContact O-CE1 3.29Å | ||
| 301 | E | 90.5 | Very high | 93.7 | Very high | 83 Ų | 83 | 44.2 Ų | 44.2 | 39% | 0.388 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -83.1 | -3.2 | 176.8 | -56.8 | -175 | 149.7 | 0 | 0 | 113.4 | G318 V319 K320 | E301-G318 CarbonylContact O-C 3.55Å; E301-G318 WeakPolarHBondContact O-CA 3.38Å; E301-V319 PolarHBondContact O-N 2.76Å; E301-V319 VanDerWaalsContact O-N 3.09Å; E301-K320 HydrophobicContact CB-CD 4.34Å; E301-K320 WeakPolarHBondContact O-CA 3.21Å; E301-K320 WeakPolarHBondContact O-CB 3.45Å; E301-K320 PolarHBondContact O-N 3.08Å; E301-K320 WeakPolarHBondContact OE2-CE 3.17Å; E301-K320 IonicContact OE2-NZ 2.93Å; E301-K320 PolarHBondContact OE2-NZ 2.87Å |
| 302 | D | 90.4 | Very high | 93.8 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -95.6 | -19.6 | -164.7 | -54.1 | -57.5 | 0 | 0 | 0 | 113.6 | T300 K320 C321 | T300-D302 VanDerWaalsContact C-N 3.25Å; T300-D302 PolarHBondContact O-N 2.83Å; T300-D302 PolarHBondContact OG1-N 2.77Å; D302-K320 VanDerWaalsContact OD1-CD 3.28Å; D302-K320 WeakPolarHBondContact OD1-CD 3.45Å; D302-C321 WeakPolarHBondContact O-CA 3.41Å |
| 303 | D | 91.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -132.6 | 175.1 | -173.8 | -69.7 | -55.5 | 0 | 0 | 0 | 111.4 | R276 S278 Y305 G318 | R276-D303 VanDerWaalsContact CD-OD2 3.28Å; R276-D303 WeakPolarHBondContact CD-OD2 3.29Å; R276-D303 HydrophobicContact CG-CB 3.87Å; R276-D303 IonicContact CZ-OD2 3.4Å; R276-D303 IonicContact NE-OD2 3.89Å; R276-D303 IonicContact NH1-OD2 3.77Å; R276-D303 PolarHBondContact NH1-OD2 2.78Å; S278-D303 WeakPolarHBondContact CB-OD1 3.42Å; S278-D303 PolarHBondContact OG-OD1 2.77Å; D303-Y305 HydrophobicContact CB-CE2 3.89Å; D303-G318 WeakPolarHBondContact O-CA 3.21Å; D303-G318 PolarHBondContact O-N 3.09Å; D303-G318 VanDerWaalsContact O-N 3.07Å |
| 304 | V | 93.1 | Very high | 94 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 143.2 | 168.4 | 173.8 | 0 | 0 | 0 | 0 | 109.7 | V277 V315 Y316 I317 C321 E325 | V277-V304 HydrophobicContact CB-CB 4.07Å; V277-V304 HydrophobicContact CB-CG1 4.23Å; V277-V304 PolarHBondContact N-O 2.85Å; V277-V304 PolarHBondContact O-N 3.47Å; V304-V315 HydrophobicContact CG1-CG1 3.71Å; V304-Y316 CarbonylContact C-O 3.58Å; V304-Y316 WeakPolarHBondContact CA-O 3.47Å; V304-I317 HydrophobicContact CG2-CB 4.44Å; V304-I317 HydrophobicContact CG2-CG1 4.28Å; V304-I317 HydrophobicContact CG2-CG2 4.18Å; V304-C321 HydrophobicContact CG2-CB 4.22Å; V304-E325 HydrophobicContact CB-CB 4.45Å; V304-E325 HydrophobicContact CG2-CB 3.79Å |
| 305 | Y | 94.8 | Very high | 94 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.7 | -178.6 | -66.9 | -96.6 | 0 | 0 | 0 | 111.7 | I274 Y275 R276 V289 S298 L299 T300 D303 V315 Y316 | I274-Y305 HydrophobicContact CG2-CD1 3.91Å; Y275-Y305 CarbonylContact O-C 3.58Å; Y275-Y305 VanDerWaalsContact O-CA 3.25Å; Y275-Y305 WeakPolarHBondContact O-CA 3.46Å; R276-Y305 HydrophobicContact CB-CD1 4.14Å; R276-Y305 HydrophobicContact CB-CE1 3.92Å; R276-Y305 HydrophobicContact CG-CD1 4.45Å; R276-Y305 HydrophobicContact CG-CE1 3.97Å; V289-Y305 HydrophobicContact CG2-CE1 4.26Å; S298-Y305 WeakPolarHBondContact O-CE1 3.4Å; L299-Y305 HydrophobicContact CD2-CD1 3.87Å; L299-Y305 HydrophobicContact CD2-CD2 4.34Å; L299-Y305 HydrophobicContact CD2-CE1 4.49Å; L299-Y305 HydrophobicContact CD2-CG 3.77Å; T300-Y305 WeakPolarHBondContact CG2-OH 3.5Å; T300-Y305 PolarHBondContact N-OH 2.76Å; T300-Y305 PolarHBondContact OG1-OH 2.81Å; D303-Y305 HydrophobicContact CB-CE2 3.89Å; Y305-V315 CarbonylContact O-C 3.56Å; Y305-V315 VanDerWaalsContact O-CA 3.31Å; Y305-V315 WeakPolarHBondContact O-CA 3.45Å; Y305-Y316 AromaticContact CD2-CD1 3.81Å; Y305-Y316 HydrophobicContact CD2-CD1 3.81Å; Y305-Y316 HydrophobicContact CD2-CE1 4.24Å; Y305-Y316 HydrophobicContact CG-CD1 4.46Å; Y305-Y316 PolarHBondContact N-O 2.82Å; Y305-Y316 PolarHBondContact O-N 2.86Å |
| 306 | L | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 116.4 | 168 | -53.9 | -179.8 | 0 | 0 | 0 | 108 | I274 Y275 V277 I286 L313 V315 A333 Y336 | I274-L306 CarbonylContact C-O 3.58Å; I274-L306 WeakPolarHBondContact CA-O 3.35Å; Y275-L306 PolarHBondContact N-O 3.03Å; Y275-L306 PolarHBondContact O-N 3.41Å; V277-L306 HydrophobicContact CG2-CD1 4.04Å; V277-L306 HydrophobicContact CG2-CD2 4.37Å; V277-L306 HydrophobicContact CG2-CG 3.78Å; I286-L306 HydrophobicContact CG2-CD1 4.48Å; L306-L313 HydrophobicContact CB-CD1 4.23Å; L306-V315 HydrophobicContact CD2-CB 4.43Å; L306-V315 HydrophobicContact CD2-CG1 4.02Å; L306-V315 HydrophobicContact CD2-CG2 3.86Å; L306-A333 HydrophobicContact CD2-CB 3.98Å; L306-Y336 HydrophobicContact CD1-CD2 4.5Å; L306-Y336 HydrophobicContact CD1-CG 4.07Å |
| 307 | I | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 97.4 | -174 | -54.5 | 161.9 | 0 | 0 | 0 | 106.9 | I274 L294 L299 F314 L359 L363 | I274-I307 HydrophobicContact CG1-CG1 4.5Å; I274-I307 HydrophobicContact CG1-CG2 4.31Å; I274-I307 HydrophobicContact CG2-CG1 4.46Å; L294-I307 HydrophobicContact CD1-CG2 4.37Å; L294-I307 HydrophobicContact CD2-CG2 3.96Å; L299-I307 HydrophobicContact CD1-CD1 3.74Å; L299-I307 HydrophobicContact CD2-CD1 3.76Å; L299-I307 HydrophobicContact CD2-CG1 4.04Å; L299-I307 HydrophobicContact CG-CD1 4.42Å; I307-F314 HydrophobicContact CB-CB 4.19Å; I307-F314 PolarHBondContact N-O 3.49Å; I307-F314 PolarHBondContact O-N 3.46Å; I307-L359 HydrophobicContact CD1-CD1 3.77Å; I307-L359 HydrophobicContact CG2-CD1 4.39Å; I307-L363 HydrophobicContact CD1-CD2 4.43Å; I307-L363 HydrophobicContact CG2-CD2 4.06Å |
| 308 | D | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.6 | -177.4 | -170.7 | -6.3 | 0 | 0 | 0 | 109.9 | K272 V273 G310 L313 Y336 H342 | K272-D308 CarbonylContact C-O 3.5Å; K272-D308 VanDerWaalsContact CA-O 3.26Å; K272-D308 WeakPolarHBondContact CA-O 3.49Å; V273-D308 HydrophobicContact CG2-CB 3.62Å; V273-D308 PolarHBondContact N-O 3.45Å; V273-D308 PolarHBondContact O-N 3.41Å; D308-G310 VanDerWaalsContact C-N 3.3Å; D308-G310 WeakPolarHBondContact OD1-CA 3.26Å; D308-G310 PolarHBondContact OD1-N 3.21Å; D308-L313 HydrophobicContact CB-CD1 3.9Å; D308-Y336 HydrophobicContact CB-CE1 4.16Å; D308-Y336 WeakPolarHBondContact OD2-CE1 3.47Å; D308-Y336 PolarHBondContact OD2-OH 3.19Å; D308-H342 IonicContact OD1-CD2 3.38Å; D308-H342 IonicContact OD1-CE1 3.8Å; D308-H342 IonicContact OD1-NE2 3.99Å; D308-H342 PolarHBondContact OD1-NE2 2.65Å; D308-H342 IonicContact OD2-CE1 3.59Å; D308-H342 PolarHBondContact OD2-CE1 2.75Å; D308-H342 IonicContact OD2-NE2 3.04Å; D308-H342 PolarHBondContact OD2-NE2 3.26Å |
| 309 | S | 95.7 | Very high | 93.4 | Very high | 22 Ų | 22 | 27.4 Ų | 27.4 | 15% | 0.154 | 15% | 0.147 | C | C | . | . | trans | -84.6 | -6.4 | 175.4 | 75.2 | 0 | 0 | 0 | 0 | 113.6 | Q311 S312 | S309-Q311 PolarHBondContact OG-N 3.32Å; S309-S312 PolarHBondContact N-O 2.97Å; S309-S312 PolarHBondContact OG-N 3.36Å; S309-S312 PolarHBondContact OG-O 3.22Å; S309-S312 VanDerWaalsContact OG-O 3.05Å | ||
| 310 | G | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 85.5 | -15.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114 | G270 D308 | G270-G310 VanDerWaalsContact C-CA 3.41Å; G270-G310 PolarHBondContact N-O 3.05Å; G270-G310 WeakPolarHBondContact O-CA 3.39Å; D308-G310 VanDerWaalsContact C-N 3.3Å; D308-G310 WeakPolarHBondContact OD1-CA 3.26Å; D308-G310 PolarHBondContact OD1-N 3.21Å |
| 311 | Q | 93 | Very high | 92.8 | Very high | 119 Ų | 119 | 30.6 Ų | 30.6 | 56% | 0.556 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -120.9 | -26 | 175.6 | -65.4 | -176.8 | 57.1 | 0 | 0 | 112.4 | I269 S309 A345 P346 | I269-Q311 HydrophobicContact CG1-CG 4.25Å; I269-Q311 HydrophobicContact CG2-CG 4.01Å; S309-Q311 PolarHBondContact OG-N 3.32Å; Q311-A345 WeakPolarHBondContact O-CB 3.38Å; Q311-P346 WeakPolarHBondContact O-CD 3.35Å |
| 312 | S | 95.5 | Very high | 92.3 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 22% | 0.217 | 15% | 0.149 | C | C | . | . | trans | -143 | 146.6 | 179.9 | -46.2 | 0 | 0 | 0 | 0 | 109 | S309 | S309-S312 PolarHBondContact N-O 2.97Å; S309-S312 PolarHBondContact OG-N 3.36Å; S309-S312 PolarHBondContact OG-O 3.22Å; S309-S312 VanDerWaalsContact OG-O 3.05Å | ||
| 313 | L | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.1 | 175.3 | -179 | 63.4 | 0 | 0 | 0 | 109.9 | L306 D308 A333 Y336 L337 P346 I347 T348 | L306-L313 HydrophobicContact CB-CD1 4.23Å; D308-L313 HydrophobicContact CB-CD1 3.9Å; L313-A333 HydrophobicContact CD2-CB 3.65Å; L313-A333 WeakPolarHBondContact CD2-O 3.42Å; L313-Y336 HydrophobicContact CD1-CD1 4.21Å; L313-Y336 HydrophobicContact CD1-CE1 4.14Å; L313-Y336 HydrophobicContact CD2-CD1 3.81Å; L313-Y336 HydrophobicContact CD2-CE1 4.43Å; L313-L337 HydrophobicContact CB-CD1 4.14Å; L313-L337 HydrophobicContact CB-CD2 4.24Å; L313-L337 HydrophobicContact CB-CG 4.41Å; L313-L337 HydrophobicContact CD2-CD1 3.89Å; L313-L337 HydrophobicContact CD2-CD2 4.01Å; L313-L337 HydrophobicContact CD2-CG 3.61Å; L313-P346 PolarHBondContact N-O 3.32Å; L313-I347 HydrophobicContact CB-CG1 4.41Å; L313-I347 HydrophobicContact CD2-CG1 4.41Å; L313-I347 CarbonylContact O-C 3.58Å; L313-I347 VanDerWaalsContact O-CA 3.25Å; L313-I347 WeakPolarHBondContact O-CA 3.48Å; L313-T348 PolarHBondContact O-N 2.72Å |
| 314 | F | 95.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.3 | 172.4 | -54.9 | -92 | 0 | 0 | 0 | 109.7 | I307 T348 E358 L359 V362 | I307-F314 HydrophobicContact CB-CB 4.19Å; I307-F314 PolarHBondContact N-O 3.49Å; I307-F314 PolarHBondContact O-N 3.46Å; F314-T348 CarbonylContact C-O 3.56Å; F314-T348 VanDerWaalsContact CA-O 3.31Å; F314-T348 WeakPolarHBondContact CA-O 3.48Å; F314-T348 HydrophobicContact CD1-CG2 4.13Å; F314-T348 HydrophobicContact CE1-CG2 4.44Å; F314-E358 HydrophobicContact CE1-CB 3.63Å; F314-E358 HydrophobicContact CZ-CB 3.96Å; F314-L359 HydrophobicContact CB-CD1 3.73Å; F314-L359 HydrophobicContact CD1-CB 3.89Å; F314-L359 HydrophobicContact CD1-CD1 4.22Å; F314-L359 HydrophobicContact CD2-CD1 4.26Å; F314-L359 HydrophobicContact CE1-CB 4.3Å; F314-L359 HydrophobicContact CG-CB 4.36Å; F314-L359 HydrophobicContact CG-CD1 3.8Å; F314-V362 HydrophobicContact CD2-CG2 3.84Å; F314-V362 HydrophobicContact CE2-CB 4.34Å; F314-V362 HydrophobicContact CE2-CG1 3.95Å; F314-V362 HydrophobicContact CE2-CG2 3.55Å; F314-V362 HydrophobicContact CZ-CG1 4.27Å; F314-V362 HydrophobicContact CZ-CG2 4.18Å |
| 315 | V | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 111.3 | 172.1 | -169.8 | 0 | 0 | 0 | 0 | 107.4 | V304 Y305 L306 I317 A329 A333 I347 T348 V349 V350 | V304-V315 HydrophobicContact CG1-CG1 3.71Å; Y305-V315 CarbonylContact O-C 3.56Å; Y305-V315 VanDerWaalsContact O-CA 3.31Å; Y305-V315 WeakPolarHBondContact O-CA 3.45Å; L306-V315 HydrophobicContact CD2-CB 4.43Å; L306-V315 HydrophobicContact CD2-CG1 4.02Å; L306-V315 HydrophobicContact CD2-CG2 3.86Å; V315-I317 HydrophobicContact CG1-CG1 4.43Å; V315-A329 HydrophobicContact CG1-CB 3.87Å; V315-A333 HydrophobicContact CG2-CB 3.4Å; V315-A333 VanDerWaalsContact CG2-CB 3.4Å; V315-I347 HydrophobicContact CG2-CG2 3.91Å; V315-T348 PolarHBondContact N-O 3.13Å; V315-V349 HydrophobicContact CB-CB 4.36Å; V315-V349 HydrophobicContact CB-CG1 4.2Å; V315-V349 HydrophobicContact CB-CG2 4.09Å; V315-V349 HydrophobicContact CG1-CG1 4.49Å; V315-V349 HydrophobicContact CG2-CG2 4.08Å; V315-V349 WeakPolarHBondContact O-CA 3.43Å; V315-V350 PolarHBondContact O-N 3.44Å |
| 316 | Y | 93.8 | Very high | 88.8 | Confident | 24 Ų | 24 | 38.1 Ų | 38.1 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.5 | 176.9 | 168.4 | -93.7 | 0 | 0 | 0 | 109.3 | L299 T300 V304 Y305 V350 N352 L359 | L299-Y316 HydrophobicContact CB-CD1 4.35Å; L299-Y316 HydrophobicContact CB-CE1 4.19Å; L299-Y316 HydrophobicContact CD1-CG 4.48Å; T300-Y316 VanDerWaalsContact O-CE1 3.28Å; T300-Y316 WeakPolarHBondContact O-CE1 3.29Å; V304-Y316 CarbonylContact C-O 3.58Å; V304-Y316 WeakPolarHBondContact CA-O 3.47Å; Y305-Y316 AromaticContact CD2-CD1 3.81Å; Y305-Y316 HydrophobicContact CD2-CD1 3.81Å; Y305-Y316 HydrophobicContact CD2-CE1 4.24Å; Y305-Y316 HydrophobicContact CG-CD1 4.46Å; Y305-Y316 PolarHBondContact N-O 2.82Å; Y305-Y316 PolarHBondContact O-N 2.86Å; Y316-V350 WeakPolarHBondContact CA-O 3.33Å; Y316-N352 HydrophobicContact CE2-CB 3.7Å; Y316-N352 PolarHBondContact OH-ND2 3.35Å; Y316-N352 PolarHBondContact OH-OD1 2.91Å; Y316-N352 VanDerWaalsContact OH-OD1 3.05Å; Y316-L359 HydrophobicContact CD2-CD2 4.44Å |
| 317 | I | 91.2 | Very high | 87.3 | Confident | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.128 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 109.9 | -178.2 | -57.9 | 176.3 | 0 | 0 | 0 | 109.2 | V304 V315 C321 K326 A329 V349 V350 N352 | V304-I317 HydrophobicContact CG2-CB 4.44Å; V304-I317 HydrophobicContact CG2-CG1 4.28Å; V304-I317 HydrophobicContact CG2-CG2 4.18Å; V315-I317 HydrophobicContact CG1-CG1 4.43Å; I317-C321 WeakPolarHBondContact CG2-SG 3.35Å; I317-K326 HydrophobicContact CD1-CB 4.4Å; I317-K326 HydrophobicContact CG2-CB 3.85Å; I317-A329 HydrophobicContact CD1-CB 3.88Å; I317-A329 HydrophobicContact CG1-CB 4.3Å; I317-V349 HydrophobicContact CD1-CG1 3.57Å; I317-V349 HydrophobicContact CG1-CG1 4.24Å; I317-V350 PolarHBondContact N-O 3.15Å; I317-N352 WeakPolarHBondContact O-CB 3.13Å; I317-N352 PolarHBondContact O-N 3.14Å |
| 318 | G | 90.9 | Very high | 86.1 | Confident | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -61.4 | 145.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | E301 D303 K320 C321 | E301-G318 CarbonylContact O-C 3.55Å; E301-G318 WeakPolarHBondContact O-CA 3.38Å; D303-G318 WeakPolarHBondContact O-CA 3.21Å; D303-G318 PolarHBondContact O-N 3.09Å; D303-G318 VanDerWaalsContact O-N 3.07Å; G318-K320 PolarHBondContact O-N 2.79Å; G318-C321 WeakPolarHBondContact O-CB 3.26Å; G318-C321 PolarHBondContact O-N 3.22Å; G318-C321 PolarHBondContact O-SG 2.71Å | ||
| 319 | V | 86.7 | Confident | 85.3 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -30.3 | -178.1 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | E301 N352 N353 | E301-V319 PolarHBondContact O-N 2.76Å; E301-V319 VanDerWaalsContact O-N 3.09Å; V319-N352 HydrophobicContact CG2-CB 3.65Å; V319-N352 WeakPolarHBondContact CG2-ND2 3.37Å; V319-N353 WeakPolarHBondContact CG2-OD1 3.48Å |
| 320 | K | 86 | Confident | 84.7 | Confident | 130 Ų | 130 | 42.9 Ų | 42.9 | 57% | 0.565 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | 1.9 | -177 | -58.8 | 169.7 | -169.9 | 151.5 | 0 | 112.4 | E301 D302 G318 | E301-K320 HydrophobicContact CB-CD 4.34Å; E301-K320 WeakPolarHBondContact O-CA 3.21Å; E301-K320 WeakPolarHBondContact O-CB 3.45Å; E301-K320 PolarHBondContact O-N 3.08Å; E301-K320 WeakPolarHBondContact OE2-CE 3.17Å; E301-K320 IonicContact OE2-NZ 2.93Å; E301-K320 PolarHBondContact OE2-NZ 2.87Å; D302-K320 VanDerWaalsContact OD1-CD 3.28Å; D302-K320 WeakPolarHBondContact OD1-CD 3.45Å; G318-K320 PolarHBondContact O-N 2.79Å |
| 321 | C | 84.1 | Confident | 84.1 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 12% | 0.122 | 21% | 0.21 | C | C | . | . | trans | -57.7 | 150 | 177 | 77.5 | 0 | 0 | 0 | 0 | 112 | D302 V304 I317 G318 E325 | D302-C321 WeakPolarHBondContact O-CA 3.41Å; V304-C321 HydrophobicContact CG2-CB 4.22Å; I317-C321 WeakPolarHBondContact CG2-SG 3.35Å; G318-C321 WeakPolarHBondContact O-CB 3.26Å; G318-C321 PolarHBondContact O-N 3.22Å; G318-C321 PolarHBondContact O-SG 2.71Å; C321-E325 WeakPolarHBondContact CA-OE2 3.49Å; C321-E325 HydrophobicContact CB-CB 4.45Å; C321-E325 VanDerWaalsContact CB-OE2 3.23Å; C321-E325 WeakPolarHBondContact CB-OE2 3.42Å | ||
| 322 | S | 80.9 | Confident | 83.6 | Confident | 32 Ų | 32 | 39 Ų | 39 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | trans | -61 | 149.2 | 174 | 134.8 | 0 | 0 | 0 | 0 | 109.8 | D279 R324 E325 K326 | D279-S322 WeakPolarHBondContact OD1-CB 3.36Å; D279-S322 WeakPolarHBondContact OD2-CB 3.48Å; D279-S322 PolarHBondContact OD2-OG 2.84Å; S322-R324 PolarHBondContact O-N 3.12Å; S322-R324 WeakPolarHBondContact OG-CB 3.35Å; S322-R324 PolarHBondContact OG-N 3.39Å; S322-E325 PolarHBondContact N-OE2 2.79Å; S322-E325 PolarHBondContact O-N 2.82Å; S322-E325 PolarHBondContact OG-N 2.98Å; S322-K326 PolarHBondContact O-N 2.85Å | ||
| 323 | R | 72.1 | Confident | 83.4 | Confident | 88 Ų | 88 | 37.5 Ų | 37.5 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.6 | -36.2 | 175.8 | -161.2 | -175.6 | 73 | 168.9 | -27.7 | 111.3 | G21 S22 D23 E325 K326 L327 | G21-R323 PolarHBondContact O-NE 2.68Å; G21-R323 PolarHBondContact O-NH2 3.11Å; S22-R323 PolarHBondContact O-NH1 3.01Å; D23-R323 VanDerWaalsContact CA-NH1 3.28Å; D23-R323 VanDerWaalsContact CG-NH1 3.34Å; D23-R323 IonicContact OD1-CZ 3.97Å; D23-R323 IonicContact OD1-NH1 2.69Å; D23-R323 PolarHBondContact OD1-NH1 3.3Å; R323-E325 VanDerWaalsContact C-N 3.28Å; R323-E325 PolarHBondContact O-N 2.96Å; R323-K326 VanDerWaalsContact O-CG 3.23Å; R323-K326 WeakPolarHBondContact O-CG 3.42Å; R323-K326 PolarHBondContact O-N 3.35Å; R323-L327 HydrophobicContact CG-CD1 3.74Å; R323-L327 HydrophobicContact CG-CG 4.17Å; R323-L327 WeakPolarHBondContact O-CB 3.41Å; R323-L327 VanDerWaalsContact O-CD1 3.24Å; R323-L327 WeakPolarHBondContact O-CD1 3.48Å; R323-L327 WeakPolarHBondContact O-CG 3.25Å; R323-L327 PolarHBondContact O-N 2.94Å; R323-L327 VanDerWaalsContact O-N 3.16Å |
| 324 | R | 72 | Confident | 83 | Confident | 131 Ų | 131 | 38.2 Ų | 38.2 | 49% | 0.494 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.5 | -37.2 | -179.2 | -166.9 | -178 | -176.9 | 174.2 | -1.5 | 111.1 | D279 M284 S322 | D279-R324 WeakPolarHBondContact OD2-CB 3.29Å; M284-R324 HydrophobicContact CG-CG 4.27Å; M284-R324 HydrophobicContact SD-CB 4.45Å; M284-R324 HydrophobicContact SD-CG 3.94Å; S322-R324 PolarHBondContact O-N 3.12Å; S322-R324 WeakPolarHBondContact OG-CB 3.35Å; S322-R324 PolarHBondContact OG-N 3.39Å |
| 325 | E | 75.9 | Confident | 82.6 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 179 | -63.9 | 166.4 | 166 | 0 | 0 | 112.1 | S278 D279 M284 V304 C321 S322 R323 | S278-E325 VanDerWaalsContact CA-OE1 3.23Å; S278-E325 WeakPolarHBondContact CA-OE1 3.31Å; S278-E325 PolarHBondContact OG-OE1 3.17Å; D279-E325 HydrophobicContact CB-CG 4.29Å; D279-E325 PolarHBondContact N-OE1 3.5Å; M284-E325 HydrophobicContact CE-CB 4.45Å; M284-E325 HydrophobicContact CE-CG 4.13Å; M284-E325 HydrophobicContact SD-CG 4.12Å; V304-E325 HydrophobicContact CB-CB 4.45Å; V304-E325 HydrophobicContact CG2-CB 3.79Å; C321-E325 WeakPolarHBondContact CA-OE2 3.49Å; C321-E325 HydrophobicContact CB-CB 4.45Å; C321-E325 VanDerWaalsContact CB-OE2 3.23Å; C321-E325 WeakPolarHBondContact CB-OE2 3.42Å; S322-E325 PolarHBondContact N-OE2 2.79Å; S322-E325 PolarHBondContact O-N 2.82Å; S322-E325 PolarHBondContact OG-N 2.98Å; R323-E325 VanDerWaalsContact C-N 3.28Å; R323-E325 PolarHBondContact O-N 2.96Å |
| 326 | K | 75.3 | Confident | 82.5 | Confident | 89 Ų | 89 | 43.6 Ų | 43.6 | 39% | 0.387 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -77.5 | -28.2 | -179.2 | 68.4 | 175.1 | 179.5 | -178.1 | 0 | 114.9 | I317 S322 R323 D328 A329 | I317-K326 HydrophobicContact CD1-CB 4.4Å; I317-K326 HydrophobicContact CG2-CB 3.85Å; S322-K326 PolarHBondContact O-N 2.85Å; R323-K326 VanDerWaalsContact O-CG 3.23Å; R323-K326 WeakPolarHBondContact O-CG 3.42Å; R323-K326 PolarHBondContact O-N 3.35Å; K326-D328 PolarHBondContact O-N 2.94Å; K326-A329 WeakPolarHBondContact O-CB 3.28Å; K326-A329 PolarHBondContact O-N 3.17Å |
| 327 | L | 65 | Low | 82.5 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.4 | -27.8 | -169.3 | -87.3 | 161.7 | 0 | 0 | 0 | 113.5 | F20 G21 R323 | F20-L327 VanDerWaalsContact O-CD2 3.32Å; F20-L327 WeakPolarHBondContact O-CD2 3.42Å; G21-L327 WeakPolarHBondContact O-CD1 3.2Å; R323-L327 HydrophobicContact CG-CD1 3.74Å; R323-L327 HydrophobicContact CG-CG 4.17Å; R323-L327 WeakPolarHBondContact O-CB 3.41Å; R323-L327 VanDerWaalsContact O-CD1 3.24Å; R323-L327 WeakPolarHBondContact O-CD1 3.48Å; R323-L327 WeakPolarHBondContact O-CG 3.25Å; R323-L327 PolarHBondContact O-N 2.94Å; R323-L327 VanDerWaalsContact O-N 3.16Å |
| 328 | D | 71.4 | Confident | 82.5 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 22% | 0.219 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 20.9 | -178.1 | -68.8 | -47.3 | 0 | 0 | 0 | 112.2 | K326 L330 S331 H332 | K326-D328 PolarHBondContact O-N 2.94Å; D328-L330 VanDerWaalsContact C-N 3.35Å; D328-L330 PolarHBondContact O-N 2.69Å; D328-S331 WeakPolarHBondContact O-CB 3.36Å; D328-S331 PolarHBondContact O-N 3.34Å; D328-H332 WeakPolarHBondContact O-CB 3.18Å; D328-H332 PolarHBondContact O-CD2 3.34Å; D328-H332 VanDerWaalsContact O-CD2 3.23Å; D328-H332 PolarHBondContact O-N 3.07Å |
| 329 | A | 80.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.5 | -48 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V315 I317 K326 A333 V349 | V315-A329 HydrophobicContact CG1-CB 3.87Å; I317-A329 HydrophobicContact CD1-CB 3.88Å; I317-A329 HydrophobicContact CG1-CB 4.3Å; K326-A329 WeakPolarHBondContact O-CB 3.28Å; K326-A329 PolarHBondContact O-N 3.17Å; A329-A333 WeakPolarHBondContact O-CB 3.37Å; A329-A333 PolarHBondContact O-N 3.38Å; A329-V349 HydrophobicContact CB-CG1 4.46Å |
| 330 | L | 82.7 | Confident | 82.8 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -38 | 177.6 | -174.3 | 66.7 | 0 | 0 | 0 | 112.1 | F95 D328 A333 H334 I347 V349 | F95-L330 HydrophobicContact CE1-CD1 4.43Å; F95-L330 HydrophobicContact CE1-CD2 3.73Å; F95-L330 HydrophobicContact CZ-CD1 4.45Å; F95-L330 HydrophobicContact CZ-CD2 3.82Å; D328-L330 VanDerWaalsContact C-N 3.35Å; D328-L330 PolarHBondContact O-N 2.69Å; L330-A333 PolarHBondContact O-N 3.39Å; L330-H334 WeakPolarHBondContact O-CB 3.48Å; L330-H334 PolarHBondContact O-N 3.29Å; L330-I347 HydrophobicContact CD1-CB 4.3Å; L330-I347 HydrophobicContact CD1-CD1 4.37Å; L330-I347 HydrophobicContact CD1-CG2 3.94Å; L330-V349 HydrophobicContact CB-CG2 4.29Å; L330-V349 HydrophobicContact CD1-CG2 3.84Å |
| 331 | S | 80.4 | Confident | 83 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.6 | -46.3 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | L17 D328 A333 H334 E335 | L17-S331 WeakPolarHBondContact CB-OG 3.42Å; L17-S331 PolarHBondContact O-OG 2.69Å; D328-S331 WeakPolarHBondContact O-CB 3.36Å; D328-S331 PolarHBondContact O-N 3.34Å; S331-A333 VanDerWaalsContact C-N 3.33Å; S331-A333 PolarHBondContact O-N 2.82Å; S331-H334 WeakPolarHBondContact O-CB 3.41Å; S331-H334 PolarHBondContact O-N 3.2Å; S331-E335 WeakPolarHBondContact O-CB 3.34Å; S331-E335 WeakPolarHBondContact O-CG 3.06Å; S331-E335 PolarHBondContact O-N 2.85Å |
| 332 | H | 84 | Confident | 83.4 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 12% | 0.12 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | 174.9 | -69.6 | -39.2 | 0 | 0 | 0 | 112.1 | D328 E335 Y336 | D328-H332 WeakPolarHBondContact O-CB 3.18Å; D328-H332 PolarHBondContact O-CD2 3.34Å; D328-H332 VanDerWaalsContact O-CD2 3.23Å; D328-H332 PolarHBondContact O-N 3.07Å; H332-E335 PolarHBondContact O-N 2.93Å; H332-Y336 VanDerWaalsContact O-CB 3.26Å; H332-Y336 WeakPolarHBondContact O-CB 3.42Å; H332-Y336 PolarHBondContact O-N 2.93Å |
| 333 | A | 91.3 | Very high | 84 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L306 L313 V315 A329 L330 S331 Y336 L337 I347 | L306-A333 HydrophobicContact CD2-CB 3.98Å; L313-A333 HydrophobicContact CD2-CB 3.65Å; L313-A333 WeakPolarHBondContact CD2-O 3.42Å; V315-A333 HydrophobicContact CG2-CB 3.4Å; V315-A333 VanDerWaalsContact CG2-CB 3.4Å; A329-A333 WeakPolarHBondContact O-CB 3.37Å; A329-A333 PolarHBondContact O-N 3.38Å; L330-A333 PolarHBondContact O-N 3.39Å; S331-A333 VanDerWaalsContact C-N 3.33Å; S331-A333 PolarHBondContact O-N 2.82Å; A333-Y336 PolarHBondContact O-N 3.28Å; A333-L337 PolarHBondContact O-N 2.88Å; A333-I347 HydrophobicContact CB-CD1 4.05Å; A333-I347 HydrophobicContact CB-CG2 3.86Å |
| 334 | H | 88.1 | Confident | 85.1 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 7% | 0.069 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -48.1 | 176 | -178.7 | 90 | 0 | 0 | 0 | 112.5 | W12 L17 R128 L330 S331 Y336 L337 Q338 I347 | W12-H334 AromaticContact CE3-CE1 3.53Å; W12-H334 AromaticContact CE3-NE2 3.61Å; W12-H334 AromaticContact CZ3-CE1 3.3Å; W12-H334 WeakPolarHBondContact CZ3-CE1 3.32Å; W12-H334 AromaticContact CZ3-NE2 3.61Å; L17-H334 HydrophobicContact CD1-CB 4.26Å; R128-H334 PolarHBondContact NH1-ND1 2.86Å; R128-H334 VanDerWaalsContact NH1-ND1 3.2Å; L330-H334 WeakPolarHBondContact O-CB 3.48Å; L330-H334 PolarHBondContact O-N 3.29Å; S331-H334 WeakPolarHBondContact O-CB 3.41Å; S331-H334 PolarHBondContact O-N 3.2Å; H334-Y336 VanDerWaalsContact C-N 3.3Å; H334-Y336 PolarHBondContact O-N 3.21Å; H334-L337 PolarHBondContact O-N 3.06Å; H334-Q338 WeakPolarHBondContact O-CG 3.45Å; H334-Q338 PolarHBondContact O-N 2.65Å; H334-Q338 PolarHBondContact O-NE2 3.24Å; H334-I347 HydrophobicContact CB-CD1 4.33Å |
| 335 | E | 88.1 | Confident | 86.2 | Confident | 85 Ų | 85 | 38 Ų | 38 | 40% | 0.397 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.2 | -35.2 | 177.1 | -75.6 | 178.3 | -164.1 | 0 | 0 | 112.7 | S331 H332 Q338 | S331-E335 WeakPolarHBondContact O-CB 3.34Å; S331-E335 WeakPolarHBondContact O-CG 3.06Å; S331-E335 PolarHBondContact O-N 2.85Å; H332-E335 PolarHBondContact O-N 2.93Å; E335-Q338 WeakPolarHBondContact O-CB 3.43Å |
| 336 | Y | 92.7 | Very high | 87.1 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 12% | 0.122 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -54.1 | 172.8 | 167.6 | -99.5 | 0 | 0 | 0 | 110.1 | V273 Y275 L306 D308 L313 H332 A333 H334 Q338 K339 T340 | V273-Y336 WeakPolarHBondContact CG2-OH 3.42Å; Y275-Y336 HydrophobicContact CD2-CD2 4.41Å; Y275-Y336 AromaticContact CD2-CE2 3.77Å; Y275-Y336 HydrophobicContact CD2-CE2 3.77Å; Y275-Y336 HydrophobicContact CE2-CD2 4.29Å; Y275-Y336 AromaticContact CE2-CE2 3.31Å; Y275-Y336 HydrophobicContact CE2-CE2 3.31Å; Y275-Y336 AromaticContact CE2-CZ 3.67Å; Y275-Y336 WeakPolarHBondContact CE2-OH 3.47Å; Y275-Y336 AromaticContact CZ-CE2 3.93Å; L306-Y336 HydrophobicContact CD1-CD2 4.5Å; L306-Y336 HydrophobicContact CD1-CG 4.07Å; D308-Y336 HydrophobicContact CB-CE1 4.16Å; D308-Y336 WeakPolarHBondContact OD2-CE1 3.47Å; D308-Y336 PolarHBondContact OD2-OH 3.19Å; L313-Y336 HydrophobicContact CD1-CD1 4.21Å; L313-Y336 HydrophobicContact CD1-CE1 4.14Å; L313-Y336 HydrophobicContact CD2-CD1 3.81Å; L313-Y336 HydrophobicContact CD2-CE1 4.43Å; H332-Y336 VanDerWaalsContact O-CB 3.26Å; H332-Y336 WeakPolarHBondContact O-CB 3.42Å; H332-Y336 PolarHBondContact O-N 2.93Å; A333-Y336 PolarHBondContact O-N 3.28Å; H334-Y336 VanDerWaalsContact C-N 3.3Å; H334-Y336 PolarHBondContact O-N 3.21Å; Y336-Q338 PolarHBondContact O-N 3.02Å; Y336-Q338 VanDerWaalsContact O-N 3.16Å; Y336-K339 WeakPolarHBondContact O-CB 3.22Å; Y336-K339 PolarHBondContact O-N 2.72Å; Y336-T340 HydrophobicContact CD1-CG2 4.39Å; Y336-T340 HydrophobicContact CE1-CG2 3.89Å; Y336-T340 HydrophobicContact CE2-CG2 4.23Å |
| 337 | L | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.2 | -31.7 | 179.5 | -74.3 | -178.9 | 0 | 0 | 0 | 112.8 | R128 L313 A333 H334 K339 T340 P343 A345 I347 | R128-L337 VanDerWaalsContact NH2-CD1 3.29Å; L313-L337 HydrophobicContact CB-CD1 4.14Å; L313-L337 HydrophobicContact CB-CD2 4.24Å; L313-L337 HydrophobicContact CB-CG 4.41Å; L313-L337 HydrophobicContact CD2-CD1 3.89Å; L313-L337 HydrophobicContact CD2-CD2 4.01Å; L313-L337 HydrophobicContact CD2-CG 3.61Å; A333-L337 PolarHBondContact O-N 2.88Å; H334-L337 PolarHBondContact O-N 3.06Å; L337-K339 PolarHBondContact O-N 3.12Å; L337-K339 VanDerWaalsContact O-N 3.08Å; L337-T340 PolarHBondContact O-N 3.44Å; L337-T340 PolarHBondContact O-OG1 3.42Å; L337-P343 WeakPolarHBondContact O-CA 3.18Å; L337-A345 HydrophobicContact CD1-CB 4.24Å; L337-A345 WeakPolarHBondContact CD1-O 3.36Å; L337-A345 HydrophobicContact CD2-CB 4.28Å; L337-I347 HydrophobicContact CD1-CD1 3.87Å; L337-I347 HydrophobicContact CD1-CG1 3.63Å |
| 338 | Q | 90 | Very high | 89.5 | Confident | 42 Ų | 42 | 31.1 Ų | 31.1 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.2 | 175.7 | -70.4 | -33.6 | -75.4 | 0 | 0 | 114.2 | W12 H334 E335 Y336 | W12-Q338 VanDerWaalsContact CZ2-OE1 3.3Å; W12-Q338 HydrophobicContact CZ3-CG 4.39Å; H334-Q338 WeakPolarHBondContact O-CG 3.45Å; H334-Q338 PolarHBondContact O-N 2.65Å; H334-Q338 PolarHBondContact O-NE2 3.24Å; E335-Q338 WeakPolarHBondContact O-CB 3.43Å; Y336-Q338 PolarHBondContact O-N 3.02Å; Y336-Q338 VanDerWaalsContact O-N 3.16Å |
| 339 | K | 91.7 | Very high | 90.5 | Very high | 171 Ų | 171 | 29.5 Ų | 29.5 | 74% | 0.743 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | 4.5 | -175.6 | -59.5 | 167.1 | -170.5 | 166.2 | 0 | 111.7 | Y336 L337 | Y336-K339 WeakPolarHBondContact O-CB 3.22Å; Y336-K339 PolarHBondContact O-N 2.72Å; L337-K339 PolarHBondContact O-N 3.12Å; L337-K339 VanDerWaalsContact O-N 3.08Å |
| 340 | T | 92.3 | Very high | 91 | Very high | 31 Ų | 31 | 29.4 Ų | 29.4 | 19% | 0.19 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -108.3 | 172.6 | -178.7 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | Y336 L337 H342 | Y336-T340 HydrophobicContact CD1-CG2 4.39Å; Y336-T340 HydrophobicContact CE1-CG2 3.89Å; Y336-T340 HydrophobicContact CE2-CG2 4.23Å; L337-T340 PolarHBondContact O-N 3.44Å; L337-T340 PolarHBondContact O-OG1 3.42Å; T340-H342 WeakPolarHBondContact CB-ND1 3.39Å; T340-H342 PolarHBondContact O-N 3.24Å; T340-H342 PolarHBondContact OG1-N 3.21Å; T340-H342 PolarHBondContact OG1-ND1 3.14Å |
| 341 | D | 90.4 | Very high | 91 | Very high | 108 Ų | 108 | 30.1 Ų | 30.1 | 58% | 0.578 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -81.4 | 0.5 | 174.1 | -77.2 | -31.1 | 0 | 0 | 0 | 113.2 | K268 P343 | K268-D341 HydrophobicContact CB-CB 4.2Å; K268-D341 HydrophobicContact CD-CB 4.18Å; K268-D341 PolarHBondContact N-O 3.09Å; K268-D341 IonicContact NZ-OD2 3.37Å; D341-P343 VanDerWaalsContact C-CD 3.45Å |
| 342 | H | 94 | Very high | 90.5 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 2% | 0.023 | 16% | 0.158 | C | C | . | . | trans | -132.8 | 54.8 | -176.1 | 60.4 | -70.2 | 0 | 0 | 0 | 113 | Q267 K268 D308 T340 F344 A345 | Q267-H342 VanDerWaalsContact CD-CA 3.46Å; Q267-H342 HydrophobicContact CG-CB 3.83Å; Q267-H342 PolarHBondContact OE1-O 3.06Å; K268-H342 WeakPolarHBondContact O-CB 3.47Å; D308-H342 IonicContact OD1-CD2 3.38Å; D308-H342 IonicContact OD1-CE1 3.8Å; D308-H342 IonicContact OD1-NE2 3.99Å; D308-H342 PolarHBondContact OD1-NE2 2.65Å; D308-H342 IonicContact OD2-CE1 3.59Å; D308-H342 PolarHBondContact OD2-CE1 2.75Å; D308-H342 IonicContact OD2-NE2 3.04Å; D308-H342 PolarHBondContact OD2-NE2 3.26Å; T340-H342 WeakPolarHBondContact CB-ND1 3.39Å; T340-H342 PolarHBondContact O-N 3.24Å; T340-H342 PolarHBondContact OG1-N 3.21Å; T340-H342 PolarHBondContact OG1-ND1 3.14Å; H342-F344 PolarHBondContact O-N 3.32Å; H342-F344 VanDerWaalsContact O-N 3.08Å; H342-A345 WeakPolarHBondContact O-CB 3.19Å; H342-A345 PolarHBondContact O-N 3.03Å; H342-A345 VanDerWaalsContact O-N 3.16Å | ||
| 343 | P | 93.6 | Very high | 89.9 | Confident | 26 Ų | 26 | 36.4 Ų | 36.4 | 17% | 0.169 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.6 | -169.7 | 31.3 | -39.2 | 0 | 0 | 0 | 114.3 | W12 R128 L337 D341 | W12-P343 HydrophobicContact CH2-CB 3.8Å; W12-P343 HydrophobicContact CZ2-CB 3.97Å; W12-P343 HydrophobicContact CZ2-CG 4.46Å; R128-P343 PolarHBondContact NH2-O 3.49Å; L337-P343 WeakPolarHBondContact O-CA 3.18Å; D341-P343 VanDerWaalsContact C-CD 3.45Å |
| 344 | F | 93.7 | Very high | 89.2 | Confident | 30 Ų | 30 | 38.7 Ų | 38.7 | 13% | 0.132 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -2.8 | -178 | -52.4 | -60.2 | 0 | 0 | 0 | 113.3 | W12 V130 F133 V265 Q267 H342 | W12-F344 HydrophobicContact CH2-CD1 4.39Å; W12-F344 HydrophobicContact CH2-CE1 4.24Å; W12-F344 HydrophobicContact CZ2-CD1 4.12Å; W12-F344 AromaticContact CZ2-CE1 3.54Å; W12-F344 HydrophobicContact CZ2-CE1 3.54Å; W12-F344 HydrophobicContact CZ2-CZ 4.21Å; V130-F344 HydrophobicContact CG1-CB 4.2Å; V130-F344 HydrophobicContact CG1-CD1 4.07Å; V130-F344 HydrophobicContact CG1-CG 4.48Å; F133-F344 HydrophobicContact CB-CB 4.06Å; F133-F344 WeakPolarHBondContact CB-O 3.5Å; F133-F344 HydrophobicContact CD1-CB 4.2Å; F133-F344 HydrophobicContact CD2-CB 3.49Å; F133-F344 VanDerWaalsContact CD2-CB 3.49Å; F133-F344 HydrophobicContact CD2-CD2 4.28Å; F133-F344 HydrophobicContact CD2-CG 4.05Å; F133-F344 HydrophobicContact CE2-CB 3.92Å; F133-F344 AromaticContact CE2-CD2 3.82Å; F133-F344 HydrophobicContact CE2-CD2 3.82Å; F133-F344 HydrophobicContact CE2-CG 4.04Å; F133-F344 HydrophobicContact CG-CB 3.64Å; F133-F344 HydrophobicContact CZ-CB 4.44Å; F133-F344 HydrophobicContact CZ-CD2 4.06Å; V265-F344 HydrophobicContact CG1-CD2 4Å; V265-F344 HydrophobicContact CG1-CE2 3.52Å; V265-F344 HydrophobicContact CG1-CZ 4.35Å; Q267-F344 VanDerWaalsContact OE1-N 3.09Å; H342-F344 PolarHBondContact O-N 3.32Å; H342-F344 VanDerWaalsContact O-N 3.08Å |
| 345 | A | 95.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -51 | 136.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R128 Q311 L337 H342 | R128-A345 PolarHBondContact NH2-O 3.4Å; Q311-A345 WeakPolarHBondContact O-CB 3.38Å; L337-A345 HydrophobicContact CD1-CB 4.24Å; L337-A345 WeakPolarHBondContact CD1-O 3.36Å; L337-A345 HydrophobicContact CD2-CB 4.28Å; H342-A345 WeakPolarHBondContact O-CB 3.19Å; H342-A345 PolarHBondContact O-N 3.03Å; H342-A345 VanDerWaalsContact O-N 3.16Å | ||
| 346 | P | 95.5 | Very high | 88.2 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | trans | -62.3 | 144.6 | 179.1 | 26.6 | -32.3 | 0 | 0 | 0 | 109.7 | R128 F133 Q311 L313 | R128-P346 VanDerWaalsContact O-CA 3.31Å; R128-P346 WeakPolarHBondContact O-CA 3.4Å; F133-P346 WeakPolarHBondContact O-CD 3.48Å; Q311-P346 WeakPolarHBondContact O-CD 3.35Å; L313-P346 PolarHBondContact N-O 3.32Å | ||
| 347 | I | 95.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.6 | 177.6 | -53.2 | 174.6 | 0 | 0 | 0 | 108.3 | H127 R128 L313 V315 L330 A333 H334 L337 V349 | H127-I347 CarbonylContact C-O 3.31Å; H127-I347 VanDerWaalsContact CA-O 3.25Å; H127-I347 WeakPolarHBondContact CA-O 3.47Å; R128-I347 HydrophobicContact CB-CB 3.89Å; R128-I347 HydrophobicContact CB-CD1 4.39Å; R128-I347 HydrophobicContact CB-CG1 4.23Å; R128-I347 PolarHBondContact N-O 3.23Å; R128-I347 PolarHBondContact O-N 3.03Å; R128-I347 VanDerWaalsContact O-N 3.12Å; L313-I347 HydrophobicContact CB-CG1 4.41Å; L313-I347 HydrophobicContact CD2-CG1 4.41Å; L313-I347 CarbonylContact O-C 3.58Å; L313-I347 VanDerWaalsContact O-CA 3.25Å; L313-I347 WeakPolarHBondContact O-CA 3.48Å; V315-I347 HydrophobicContact CG2-CG2 3.91Å; L330-I347 HydrophobicContact CD1-CB 4.3Å; L330-I347 HydrophobicContact CD1-CD1 4.37Å; L330-I347 HydrophobicContact CD1-CG2 3.94Å; A333-I347 HydrophobicContact CB-CD1 4.05Å; A333-I347 HydrophobicContact CB-CG2 3.86Å; H334-I347 HydrophobicContact CB-CD1 4.33Å; L337-I347 HydrophobicContact CD1-CD1 3.87Å; L337-I347 HydrophobicContact CD1-CG1 3.63Å; I347-V349 HydrophobicContact CG2-CG2 4.31Å |
| 348 | T | 95.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 118.9 | 173 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | V125 Q126 H127 L313 F314 V315 V350 | V125-T348 HydrophobicContact CG1-CG2 3.62Å; Q126-T348 CarbonylContact O-C 3.52Å; Q126-T348 WeakPolarHBondContact O-CA 3.35Å; H127-T348 VanDerWaalsContact CE1-CG2 3.49Å; H127-T348 WeakPolarHBondContact CE1-CG2 3.47Å; H127-T348 PolarHBondContact ND1-OG1 2.87Å; H127-T348 VanDerWaalsContact ND1-OG1 3.11Å; L313-T348 PolarHBondContact O-N 2.72Å; F314-T348 CarbonylContact C-O 3.56Å; F314-T348 VanDerWaalsContact CA-O 3.31Å; F314-T348 WeakPolarHBondContact CA-O 3.48Å; F314-T348 HydrophobicContact CD1-CG2 4.13Å; F314-T348 HydrophobicContact CE1-CG2 4.44Å; V315-T348 PolarHBondContact N-O 3.13Å; T348-V350 HydrophobicContact CG2-CG2 3.77Å |
| 349 | V | 92.9 | Very high | 87.5 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115.6 | 179.2 | -174 | 0 | 0 | 0 | 0 | 109.3 | V125 Q126 V315 I317 A329 L330 I347 | V125-V349 WeakPolarHBondContact CG1-O 3.14Å; Q126-V349 HydrophobicContact CB-CB 4.19Å; Q126-V349 PolarHBondContact N-O 2.75Å; Q126-V349 PolarHBondContact O-N 3.27Å; V315-V349 HydrophobicContact CB-CB 4.36Å; V315-V349 HydrophobicContact CB-CG1 4.2Å; V315-V349 HydrophobicContact CB-CG2 4.09Å; V315-V349 HydrophobicContact CG1-CG1 4.49Å; V315-V349 HydrophobicContact CG2-CG2 4.08Å; V315-V349 WeakPolarHBondContact O-CA 3.43Å; I317-V349 HydrophobicContact CD1-CG1 3.57Å; I317-V349 HydrophobicContact CG1-CG1 4.24Å; A329-V349 HydrophobicContact CB-CG1 4.46Å; L330-V349 HydrophobicContact CB-CG2 4.29Å; L330-V349 HydrophobicContact CD1-CG2 3.84Å; I347-V349 HydrophobicContact CG2-CG2 4.31Å |
| 350 | V | 90.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.2 | -175.5 | -166.8 | 0 | 0 | 0 | 0 | 109 | V125 V315 Y316 I317 T348 R354 L359 | V125-V350 HydrophobicContact CG1-CG2 4.21Å; V315-V350 PolarHBondContact O-N 3.44Å; Y316-V350 WeakPolarHBondContact CA-O 3.33Å; I317-V350 PolarHBondContact N-O 3.15Å; T348-V350 HydrophobicContact CG2-CG2 3.77Å; V350-R354 HydrophobicContact CG1-CB 4.1Å; V350-L359 HydrophobicContact CB-CD2 4.28Å; V350-L359 HydrophobicContact CG2-CD2 4.12Å |
| 351 | S | 82.4 | Confident | 87.4 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 22% | 0.217 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 141.2 | 165.9 | 53.3 | 0 | 0 | 0 | 0 | 110 | N353 R354 | S351-N353 PolarHBondContact O-N 2.62Å; S351-R354 WeakPolarHBondContact O-CA 3.49Å; S351-R354 VanDerWaalsContact O-CB 3.27Å; S351-R354 WeakPolarHBondContact O-CB 3.34Å; S351-R354 PolarHBondContact O-N 3.33Å; S351-R354 VanDerWaalsContact OG-CG 3.28Å; S351-R354 WeakPolarHBondContact OG-CG 3.41Å |
| 352 | N | 70.7 | Confident | 87.5 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23 | -173.7 | -176.3 | 26.2 | 0 | 0 | 0 | 114 | Y316 I317 V319 R354 | Y316-N352 HydrophobicContact CE2-CB 3.7Å; Y316-N352 PolarHBondContact OH-ND2 3.35Å; Y316-N352 PolarHBondContact OH-OD1 2.91Å; Y316-N352 VanDerWaalsContact OH-OD1 3.05Å; I317-N352 WeakPolarHBondContact O-CB 3.13Å; I317-N352 PolarHBondContact O-N 3.14Å; V319-N352 HydrophobicContact CG2-CB 3.65Å; V319-N352 WeakPolarHBondContact CG2-ND2 3.37Å; N352-R354 PolarHBondContact O-N 3.05Å; N352-R354 VanDerWaalsContact O-N 3.13Å |
| 353 | N | 70.7 | Confident | 87.4 | Confident | 123 Ų | 123 | 48.8 Ų | 48.8 | 66% | 0.658 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 1.2 | 174.8 | -56.9 | -16.6 | 0 | 0 | 0 | 113.2 | V319 S351 | V319-N353 WeakPolarHBondContact CG2-OD1 3.48Å; S351-N353 PolarHBondContact O-N 2.62Å |
| 354 | R | 76.1 | Confident | 87.3 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 19% | 0.185 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -121 | 146 | -174.9 | -58.9 | -70.1 | 164.2 | -162 | -7.9 | 110.6 | K123 V125 V350 S351 N352 | K123-R354 WeakPolarHBondContact O-CD 3.29Å; K123-R354 VanDerWaalsContact O-CZ 3.23Å; K123-R354 PolarHBondContact O-NE 2.95Å; V125-R354 HydrophobicContact CG2-CB 4.21Å; V350-R354 HydrophobicContact CG1-CB 4.1Å; S351-R354 WeakPolarHBondContact O-CA 3.49Å; S351-R354 VanDerWaalsContact O-CB 3.27Å; S351-R354 WeakPolarHBondContact O-CB 3.34Å; S351-R354 PolarHBondContact O-N 3.33Å; S351-R354 VanDerWaalsContact OG-CG 3.28Å; S351-R354 WeakPolarHBondContact OG-CG 3.41Å; N352-R354 PolarHBondContact O-N 3.05Å; N352-R354 VanDerWaalsContact O-N 3.13Å |
| 355 | K | 71.9 | Confident | 87 | Confident | 189 Ų | 189 | 55.5 Ų | 55.5 | 82% | 0.822 | 27% | 0.267 | S | S | * | . | trans | -96.6 | 128.8 | 170.6 | -64.4 | -173.6 | 179.4 | -177.8 | 0 | 108.3 | ||||
| 356 | S | 83.7 | Confident | 86.5 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | trans | -112.4 | 116.7 | 165.2 | 166.7 | 0 | 0 | 0 | 0 | 108.2 | E358 L359 D360 | S356-E358 PolarHBondContact O-N 3.35Å; S356-E358 PolarHBondContact OG-N 2.85Å; S356-L359 PolarHBondContact O-N 3.39Å; S356-L359 PolarHBondContact OG-N 2.99Å; S356-L359 VanDerWaalsContact OG-N 3.16Å; S356-D360 PolarHBondContact O-N 2.74Å | ||
| 357 | K | 82.2 | Confident | 86 | Confident | 147 Ų | 147 | 61.2 Ų | 61.2 | 64% | 0.639 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.1 | -29 | 176.5 | -67.3 | 173.1 | -173 | 154.1 | 0 | 111.4 | E83 K361 | E83-K357 IonicContact OE2-NZ 3.17Å; K357-K361 WeakPolarHBondContact O-CD 3.23Å; K357-K361 WeakPolarHBondContact O-CG 3.32Å; K357-K361 PolarHBondContact O-N 3.45Å |
| 358 | E | 88.5 | Confident | 85.5 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 15% | 0.15 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74.5 | -45 | 177.7 | -65.2 | -175.5 | 124.4 | 0 | 0 | 111.2 | L137 F314 S356 K361 V362 | L137-E358 VanDerWaalsContact CB-CD 3.48Å; L137-E358 HydrophobicContact CB-CG 4.29Å; L137-E358 WeakPolarHBondContact CB-OE1 3.45Å; L137-E358 PolarHBondContact N-OE1 3.04Å; F314-E358 HydrophobicContact CE1-CB 3.63Å; F314-E358 HydrophobicContact CZ-CB 3.96Å; S356-E358 PolarHBondContact O-N 3.35Å; S356-E358 PolarHBondContact OG-N 2.85Å; E358-K361 PolarHBondContact O-N 2.79Å; E358-V362 PolarHBondContact O-N 3.03Å |
| 359 | L | 91.4 | Very high | 84.9 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.2 | 178.3 | 56.1 | 0 | 0 | 0 | 111.6 | I307 F314 Y316 V350 S356 K361 V362 L363 | I307-L359 HydrophobicContact CD1-CD1 3.77Å; I307-L359 HydrophobicContact CG2-CD1 4.39Å; F314-L359 HydrophobicContact CB-CD1 3.73Å; F314-L359 HydrophobicContact CD1-CB 3.89Å; F314-L359 HydrophobicContact CD1-CD1 4.22Å; F314-L359 HydrophobicContact CD2-CD1 4.26Å; F314-L359 HydrophobicContact CE1-CB 4.3Å; F314-L359 HydrophobicContact CG-CB 4.36Å; F314-L359 HydrophobicContact CG-CD1 3.8Å; Y316-L359 HydrophobicContact CD2-CD2 4.44Å; V350-L359 HydrophobicContact CB-CD2 4.28Å; V350-L359 HydrophobicContact CG2-CD2 4.12Å; S356-L359 PolarHBondContact O-N 3.39Å; S356-L359 PolarHBondContact OG-N 2.99Å; S356-L359 VanDerWaalsContact OG-N 3.16Å; L359-K361 PolarHBondContact O-N 2.91Å; L359-V362 HydrophobicContact CD1-CG2 4.13Å; L359-V362 WeakPolarHBondContact O-CG2 3.29Å; L359-V362 PolarHBondContact O-N 3.18Å; L359-V362 VanDerWaalsContact O-N 3.14Å; L359-L363 HydrophobicContact CD1-CD1 3.91Å; L359-L363 HydrophobicContact CD1-CD2 4.31Å; L359-L363 HydrophobicContact CD1-CG 3.92Å; L359-L363 HydrophobicContact CG-CD1 3.94Å; L359-L363 HydrophobicContact CG-CG 4.39Å; L359-L363 WeakPolarHBondContact O-CG 3.46Å; L359-L363 PolarHBondContact O-N 3.02Å |
| 360 | D | 90.3 | Very high | 84.3 | Confident | 78 Ų | 78 | 72.9 Ų | 72.9 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -22 | 179.8 | -79.8 | -38 | 0 | 0 | 0 | 113 | K296 S356 | K296-D360 IonicContact NZ-OD1 2.68Å; K296-D360 PolarHBondContact NZ-OD1 2.84Å; S356-D360 PolarHBondContact O-N 2.74Å |
| 361 | K | 91.1 | Very high | 83.9 | Confident | 176 Ų | 176 | 77.9 Ų | 77.9 | 77% | 0.765 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -79 | -27.9 | 175.8 | -80 | 171.3 | -176.5 | 179 | 0 | 113.5 | K357 E358 L359 | K357-K361 WeakPolarHBondContact O-CD 3.23Å; K357-K361 WeakPolarHBondContact O-CG 3.32Å; K357-K361 PolarHBondContact O-N 3.45Å; E358-K361 PolarHBondContact O-N 2.79Å; L359-K361 PolarHBondContact O-N 2.91Å |
| 362 | V | 92.4 | Very high | 84 | Confident | 36 Ų | 36 | 81.5 Ų | 81.5 | 22% | 0.218 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -92.8 | -23.1 | -175.8 | -61.8 | 0 | 0 | 0 | 0 | 113 | L294 F314 E358 L359 | L294-V362 HydrophobicContact CD1-CB 4.29Å; L294-V362 WeakPolarHBondContact CD1-O 3.48Å; F314-V362 HydrophobicContact CD2-CG2 3.84Å; F314-V362 HydrophobicContact CE2-CB 4.34Å; F314-V362 HydrophobicContact CE2-CG1 3.95Å; F314-V362 HydrophobicContact CE2-CG2 3.55Å; F314-V362 HydrophobicContact CZ-CG1 4.27Å; F314-V362 HydrophobicContact CZ-CG2 4.18Å; E358-V362 PolarHBondContact O-N 3.03Å; L359-V362 HydrophobicContact CD1-CG2 4.13Å; L359-V362 WeakPolarHBondContact O-CG2 3.29Å; L359-V362 PolarHBondContact O-N 3.18Å; L359-V362 VanDerWaalsContact O-N 3.14Å |
| 363 | L | 92.6 | Very high | 85.1 | Confident | 24 Ų | 24 | 84.4 Ų | 84.4 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | trans | -73.1 | 140.2 | 176 | -66.6 | 174.7 | 0 | 0 | 0 | 111.2 | L294 K296 L299 I307 L359 | L294-L363 HydrophobicContact CB-CD2 4.34Å; L294-L363 WeakPolarHBondContact O-CA 3.45Å; L294-L363 WeakPolarHBondContact O-CD2 3.1Å; K296-L363 HydrophobicContact CB-CB 4.29Å; K296-L363 HydrophobicContact CB-CD1 4.41Å; K296-L363 HydrophobicContact CD-CD1 4.31Å; K296-L363 HydrophobicContact CG-CD1 4.16Å; L299-L363 HydrophobicContact CD1-CD1 3.82Å; L299-L363 HydrophobicContact CD1-CD2 4.04Å; I307-L363 HydrophobicContact CD1-CD2 4.43Å; I307-L363 HydrophobicContact CG2-CD2 4.06Å; L359-L363 HydrophobicContact CD1-CD1 3.91Å; L359-L363 HydrophobicContact CD1-CD2 4.31Å; L359-L363 HydrophobicContact CD1-CG 3.92Å; L359-L363 HydrophobicContact CG-CD1 3.94Å; L359-L363 HydrophobicContact CG-CG 4.39Å; L359-L363 WeakPolarHBondContact O-CG 3.46Å; L359-L363 PolarHBondContact O-N 3.02Å | ||
| 364 | E | 90.9 | Very high | 86.4 | Confident | 141 Ų | 141 | 80.9 Ų | 80.9 | 66% | 0.659 | 37% | 0.372 | S | S | * | . | trans | -100.6 | 0 | -176.1 | -67 | 166.3 | -179.9 | 0 | 0 | 112.9 | K272 A293 L294 P295 K296 | K272-E364 IonicContact NZ-OE1 3.93Å; K272-E364 PolarHBondContact NZ-OE1 3.49Å; A293-E364 WeakPolarHBondContact CA-OE2 3.23Å; A293-E364 WeakPolarHBondContact CB-OE2 3.31Å; L294-E364 PolarHBondContact N-OE2 2.7Å; L294-E364 VanDerWaalsContact N-OE2 3.09Å; L294-E364 PolarHBondContact O-N 3.49Å; P295-E364 WeakPolarHBondContact CA-O 3.44Å; K296-E364 PolarHBondContact N-O 2.86Å; K296-E364 VanDerWaalsContact N-O 3.08Å |
Retrieved 364 of 364 residues in 179.4 ms
(Link to these results)