| 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 | 36 | Very low | 33.9 | Very low | 239 Ų | 239 | 156.1 Ų | 156.1 | 100% | 1.177 | 86% | 0.858 | S | S | * | * | 0 | 122.6 | 0 | -82.8 | -179.9 | 176.5 | 0 | 0 | 107.8 | |||||
| 2 | L | 36.4 | Very low | 33.9 | Very low | 180 Ų | 180 | 156.8 Ų | 156.8 | 94% | 0.942 | 85% | 0.853 | S | S | * | * | trans | 28.9 | 111.8 | 171.3 | -70.4 | 99 | 0 | 0 | 0 | 119.9 | ||||
| 3 | G | 28.4 | Very low | 33.7 | Very low | 74 Ų | 74 | 154 Ų | 154 | 76% | 0.763 | 84% | 0.844 | S | S | * | * | trans | -132.7 | 128 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | S | 36.2 | Very low | 33.4 | Very low | 121 Ų | 121 | 158.7 Ų | 158.7 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | -60.9 | 141 | -164.8 | -51.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 5 | F | 33.4 | Very low | 33.3 | Very low | 205 Ų | 205 | 160.1 Ų | 160.1 | 90% | 0.899 | 84% | 0.843 | S | S | * | * | trans | -91.4 | 122.5 | 160.8 | -95.3 | -93.9 | 0 | 0 | 0 | 109.4 | ||||
| 6 | V | 35.6 | Very low | 33.1 | Very low | 125 Ų | 125 | 164.7 Ų | 164.7 | 76% | 0.758 | 85% | 0.845 | S | S | * | * | trans | -110.3 | 119.4 | 164.5 | 173.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 7 | L | 33.5 | Very low | 33.3 | Very low | 146 Ų | 146 | 161.2 Ų | 161.2 | 76% | 0.764 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 117.1 | 175.7 | -158.2 | 81 | 0 | 0 | 0 | 108 | L9 | L7-L9 HydrophobicContact CD2-CD1 4.16Š|
| 8 | L | 33.5 | Very low | 33.6 | Very low | 158 Ų | 158 | 161.4 Ų | 161.4 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 119.3 | 168.2 | -96.9 | 99 | 0 | 0 | 0 | 109.3 | ||
| 9 | L | 32.7 | Very low | 33.9 | Very low | 143 Ų | 143 | 156.5 Ų | 156.5 | 75% | 0.749 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 120 | 162.6 | -114.7 | 97.5 | 0 | 0 | 0 | 109.2 | L7 L11 | L7-L9 HydrophobicContact CD2-CD1 4.16Å; L9-L11 PolarHBondContact O-N 3.46Å |
| 10 | L | 35.7 | Very low | 34.8 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -73.8 | 115.4 | 165.1 | -91.7 | 132 | 0 | 0 | 0 | 109.1 | M12 | L10-M12 PolarHBondContact O-N 3.49Š| ||
| 11 | L | 32 | Very low | 35.9 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -81.2 | 106.9 | 168.4 | -85.2 | 155.1 | 0 | 0 | 0 | 109.2 | L9 V13 | L9-L11 PolarHBondContact O-N 3.46Å; L11-V13 PolarHBondContact O-N 3.36Å | ||
| 12 | M | 33.1 | Very low | 37.4 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -72.7 | 110.1 | 158.5 | -78.1 | -173 | 179.3 | 0 | 0 | 108.2 | L10 W14 | L10-M12 PolarHBondContact O-N 3.49Å; M12-W14 PolarHBondContact O-N 3.23Å; M12-W14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | V | 31.3 | Very low | 39.9 | Very low | 121 Ų | 121 | 140 Ų | 140 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -72.9 | 103.3 | 168.1 | 176.8 | 0 | 0 | 0 | 0 | 107.5 | L11 H15 | L11-V13 PolarHBondContact O-N 3.36Å; V13-H15 PolarHBondContact O-N 2.83Å | ||
| 14 | W | 29.7 | Very low | 43.2 | Very low | 220 Ų | 220 | 138.2 Ų | 138.2 | 83% | 0.833 | 74% | 0.737 | S | S | * | * | trans | -68.8 | 114.7 | 162 | -77.5 | 58.4 | 0 | 0 | 0 | 107.4 | M12 R16 | M12-W14 PolarHBondContact O-N 3.23Å; M12-W14 VanDerWaalsContact O-N 3.17Å; W14-R16 VanDerWaalsContact C-N 3.32Å; W14-R16 PolarHBondContact O-N 3.34Å | ||
| 15 | H | 31.6 | Very low | 46.1 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 83% | 0.833 | 70% | 0.697 | S | S | * | * | trans | -63.9 | 99 | 159.6 | -86 | 21.4 | 0 | 0 | 0 | 107.2 | V13 S17 | V13-H15 PolarHBondContact O-N 2.83Å; H15-S17 PolarHBondContact O-N 3.17Å | ||
| 16 | R | 30 | Very low | 49.2 | Very low | 233 Ų | 233 | 122.8 Ų | 122.8 | 88% | 0.879 | 65% | 0.654 | S | S | * | * | trans | -65.9 | 118.7 | 158.7 | -80.7 | -175.6 | 174.2 | -173.3 | -2.7 | 106.2 | W14 D18 | W14-R16 VanDerWaalsContact C-N 3.32Å; W14-R16 PolarHBondContact O-N 3.34Å; R16-D18 PolarHBondContact O-N 3.34Å | ||
| 17 | S | 37.3 | Very low | 52.2 | Low | 106 Ų | 106 | 121.2 Ų | 121.2 | 74% | 0.741 | 64% | 0.639 | S | S | * | * | trans | -49.2 | 132 | 155.1 | 50 | 0 | 0 | 0 | 0 | 108 | H15 G19 | H15-S17 PolarHBondContact O-N 3.17Å; S17-G19 PolarHBondContact O-N 3.42Å | ||
| 18 | D | 38.5 | Very low | 55.3 | Low | 165 Ų | 165 | 117.4 Ų | 117.4 | 88% | 0.882 | 62% | 0.621 | S | S | * | * | trans | -45.6 | 126 | 172 | -80.6 | -44.3 | 0 | 0 | 0 | 109.3 | R16 Q20 | R16-D18 PolarHBondContact O-N 3.34Å; D18-Q20 PolarHBondContact O-N 3.26Å | ||
| 19 | G | 39.7 | Very low | 58.4 | Low | 68 Ų | 68 | 111 Ų | 111 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | trans | -62.4 | 127.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S17 N21 | S17-G19 PolarHBondContact O-N 3.42Å; G19-N21 PolarHBondContact O-N 2.98Å; G19-N21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | Q | 51.7 | Low | 61.5 | Low | 130 Ų | 130 | 104.6 Ų | 104.6 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | trans | -45.3 | 122.1 | 158.9 | -80.7 | 176.8 | -25.4 | 0 | 0 | 107.9 | D18 S22 | D18-Q20 PolarHBondContact O-N 3.26Å; Q20-S22 PolarHBondContact O-N 3.43Å | ||
| 21 | N | 56.7 | Low | 64.5 | Low | 119 Ų | 119 | 103.4 Ų | 103.4 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | trans | -70.2 | 99.5 | 178.8 | -147.4 | 4.2 | 0 | 0 | 0 | 106.6 | G19 G23 Q427 | G19-N21 PolarHBondContact O-N 2.98Å; G19-N21 VanDerWaalsContact O-N 3.13Å; N21-G23 PolarHBondContact O-N 2.96Å; N21-Q427 PolarHBondContact O-OE1 3.45Å | ||
| 22 | S | 69.3 | Low | 67.6 | Low | 111 Ų | 111 | 100.3 Ų | 100.3 | 78% | 0.776 | 53% | 0.533 | S | S | * | . | trans | -75.1 | 23.6 | -172.7 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | Q20 | Q20-S22 PolarHBondContact O-N 3.43Š| ||
| 23 | G | 89.1 | Confident | 70.7 | Confident | 24 Ų | 24 | 93.1 Ų | 93.1 | 25% | 0.247 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -95.4 | 177.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | N21 Q427 | N21-G23 PolarHBondContact O-N 2.96Å; G23-Q427 PolarHBondContact O-NE2 3.05Å |
| 24 | P | 96.2 | Very high | 73.9 | Confident | 38 Ų | 38 | 87.4 Ų | 87.4 | 25% | 0.247 | 46% | 0.463 | C | S | . | . | trans | -63.6 | 138.4 | 177.7 | 25.1 | -34.1 | 0 | 0 | 0 | 111.8 | E381 K426 Q427 | P24-E381 WeakPolarHBondContact CA-O 3.49Å; P24-E381 HydrophobicContact CB-CG 4.3Å; P24-K426 HydrophobicContact CG-CD 4.23Å; P24-Q427 PolarHBondContact O-NE2 2.88Å | ||
| 25 | M | 97.8 | Very high | 77.1 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -70.2 | -47.7 | 174.5 | -177.9 | 60.9 | 78.6 | 0 | 0 | 111.6 | F341 D342 E348 L364 L380 E381 V425 K426 Q427 | M25-F341 HydrophobicContact SD-CB 4.14Å; M25-D342 HydrophobicContact CE-CB 4.1Å; M25-D342 HydrophobicContact SD-CB 4.11Å; M25-E348 HydrophobicContact CE-CG 4.5Å; M25-L364 HydrophobicContact CB-CD2 3.51Å; M25-L364 HydrophobicContact CE-CD2 4.23Å; M25-L364 HydrophobicContact CG-CD2 3.61Å; M25-L380 HydrophobicContact CE-CD1 3.88Å; M25-E381 PolarHBondContact N-O 3.41Å; M25-V425 WeakPolarHBondContact O-CA 3.34Å; M25-V425 HydrophobicContact SD-CG1 3.64Å; M25-K426 PolarHBondContact O-N 3.36Å; M25-Q427 HydrophobicContact SD-CB 4.25Å; M25-Q427 HydrophobicContact SD-CG 4.32Å |
| 26 | F | 98.6 | Very high | 80.3 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 0% | 0.004 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.4 | -169.8 | -62.6 | -71 | 0 | 0 | 0 | 113.4 | F341 F350 L364 V382 D384 A385 L408 F423 K424 V425 | F26-F341 AromaticContact CE1-CD1 3.68Å; F26-F341 HydrophobicContact CE1-CD1 3.68Å; F26-F341 AromaticContact CE1-CE1 3.88Å; F26-F341 HydrophobicContact CE1-CE1 3.88Å; F26-F341 HydrophobicContact CE1-CG 4.1Å; F26-F341 HydrophobicContact CE1-CZ 4.47Å; F26-F341 HydrophobicContact CZ-CB 4.47Å; F26-F341 AromaticContact CZ-CD1 3.64Å; F26-F341 HydrophobicContact CZ-CD1 3.64Å; F26-F341 AromaticContact CZ-CD2 3.84Å; F26-F341 HydrophobicContact CZ-CD2 3.84Å; F26-F341 AromaticContact CZ-CE1 3.67Å; F26-F341 HydrophobicContact CZ-CE1 3.67Å; F26-F341 AromaticContact CZ-CE2 3.9Å; F26-F341 HydrophobicContact CZ-CE2 3.9Å; F26-F341 AromaticContact CZ-CG 3.72Å; F26-F341 HydrophobicContact CZ-CG 3.72Å; F26-F341 AromaticContact CZ-CZ 3.82Å; F26-F341 HydrophobicContact CZ-CZ 3.82Å; F26-F350 HydrophobicContact CE2-CD2 4.08Å; F26-F350 HydrophobicContact CE2-CE2 4.32Å; F26-L364 HydrophobicContact CE2-CD1 4.29Å; F26-L364 HydrophobicContact CE2-CD2 3.95Å; F26-V382 WeakPolarHBondContact CB-O 3.47Å; F26-V382 HydrophobicContact CD2-CG1 4.15Å; F26-V382 WeakPolarHBondContact CD2-O 3.42Å; F26-V382 PolarHBondContact N-O 3.15Å; F26-D384 PolarHBondContact O-N 2.88Å; F26-D384 VanDerWaalsContact O-N 3.11Å; F26-A385 HydrophobicContact CB-CB 3.67Å; F26-A385 HydrophobicContact CD2-CB 3.81Å; F26-A385 HydrophobicContact CG-CB 3.91Å; F26-L408 HydrophobicContact CD1-CB 4.42Å; F26-L408 HydrophobicContact CD1-CD2 4.43Å; F26-L408 HydrophobicContact CD2-CD2 4.48Å; F26-L408 HydrophobicContact CE1-CB 4.05Å; F26-L408 HydrophobicContact CE1-CD2 4.18Å; F26-L408 HydrophobicContact CE2-CD2 4.23Å; F26-L408 HydrophobicContact CZ-CD2 4.08Å; F26-F423 HydrophobicContact CB-CB 4.07Å; F26-F423 HydrophobicContact CB-CD1 4.44Å; F26-F423 HydrophobicContact CB-CG 4.49Å; F26-F423 HydrophobicContact CD1-CB 4.14Å; F26-F423 HydrophobicContact CG-CB 4.4Å; F26-K424 WeakPolarHBondContact CA-O 3.47Å; F26-V425 HydrophobicContact CD1-CG2 4.05Å; F26-V425 HydrophobicContact CE1-CG2 3.66Å |
| 27 | Q | 98.3 | Very high | 83.5 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.7 | 167.1 | -177 | 170 | -0.4 | 0 | 0 | 110.2 | V29 D384 F423 K424 K426 | Q27-V29 PolarHBondContact O-N 3.26Å; Q27-D384 WeakPolarHBondContact CA-OD2 3.33Å; Q27-F423 CarbonylContact O-C 3.59Å; Q27-F423 VanDerWaalsContact O-CA 3.23Å; Q27-F423 WeakPolarHBondContact O-CA 3.22Å; Q27-K424 PolarHBondContact N-O 3.05Å; Q27-K424 PolarHBondContact O-N 2.79Å; Q27-K426 HydrophobicContact CB-CD 3.82Å; Q27-K426 HydrophobicContact CB-CG 3.74Å |
| 28 | V | 98.6 | Very high | 86.3 | Confident | 65 Ų | 65 | 64 Ų | 64 | 39% | 0.394 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 130.9 | 175.2 | 68 | 0 | 0 | 0 | 0 | 110.9 | T30 D384 F423 | V28-T30 WeakPolarHBondContact CG2-OG1 3.36Å; V28-D384 HydrophobicContact CB-CB 3.79Å; V28-D384 HydrophobicContact CG1-CB 4Å; V28-D384 WeakPolarHBondContact CG1-OD2 3.46Å; V28-D384 PolarHBondContact N-OD2 3.49Å; V28-F423 HydrophobicContact CB-CD1 3.87Å; V28-F423 HydrophobicContact CB-CE1 3.76Å; V28-F423 HydrophobicContact CG2-CD1 4.24Å; V28-F423 HydrophobicContact CG2-CE1 3.89Å |
| 29 | V | 98.4 | Very high | 89 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 15% | 0.152 | 36% | 0.357 | C | S | . | . | trans | -126.2 | 9.7 | 176.7 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | Q27 Q31 T32 M33 V422 K424 | Q27-V29 PolarHBondContact O-N 3.26Å; V29-Q31 VanDerWaalsContact C-N 3.32Å; V29-Q31 PolarHBondContact O-N 2.88Å; V29-T32 PolarHBondContact O-N 2.86Å; V29-T32 PolarHBondContact O-OG1 3.28Å; V29-M33 HydrophobicContact CG2-CB 4.26Å; V29-M33 HydrophobicContact CG2-SD 4.32Å; V29-M33 WeakPolarHBondContact O-CB 3.2Å; V29-M33 PolarHBondContact O-N 2.81Å; V29-V422 HydrophobicContact CG2-CB 4.17Å; V29-V422 HydrophobicContact CG2-CG1 3.87Å; V29-V422 WeakPolarHBondContact CG2-O 3.35Å; V29-V422 PolarHBondContact N-O 3.03Å; V29-K424 HydrophobicContact CG1-CB 4.11Å; V29-K424 HydrophobicContact CG1-CG 4.09Å; V29-K424 HydrophobicContact CG2-CB 4.49Å; V29-K424 HydrophobicContact CG2-CG 4.01Å | ||
| 30 | T | 98.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 5% | 0.049 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -48.8 | -48.5 | -179.8 | -47.7 | 0 | 0 | 0 | 0 | 112.7 | V28 T32 M33 L34 P35 I420 S421 V422 | V28-T30 WeakPolarHBondContact CG2-OG1 3.36Å; T30-T32 PolarHBondContact O-N 3.22Å; T30-M33 PolarHBondContact O-N 2.63Å; T30-L34 WeakPolarHBondContact CG2-O 3.21Å; T30-L34 CarbonylContact O-C 3.42Å; T30-L34 WeakPolarHBondContact O-CA 3.21Å; T30-L34 PolarHBondContact O-N 2.9Å; T30-L34 VanDerWaalsContact O-O 3.07Å; T30-P35 WeakPolarHBondContact O-CA 3.45Å; T30-I420 VanDerWaalsContact CG2-O 3.27Å; T30-I420 WeakPolarHBondContact CG2-O 3.38Å; T30-S421 WeakPolarHBondContact OG1-CA 3.35Å; T30-V422 PolarHBondContact N-O 3.3Å; T30-V422 PolarHBondContact OG1-N 3.39Å; T30-V422 PolarHBondContact OG1-O 2.95Å |
| 31 | Q | 98.1 | Very high | 93.9 | Very high | 141 Ų | 141 | 52.1 Ų | 52.1 | 66% | 0.659 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.5 | -25.1 | -175.9 | -65.7 | -60.4 | -31.3 | 0 | 0 | 113.9 | V29 | V29-Q31 VanDerWaalsContact C-N 3.32Å; V29-Q31 PolarHBondContact O-N 2.88Å |
| 32 | T | 97.4 | Very high | 95.9 | Very high | 95 Ų | 95 | 47.2 Ų | 47.2 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -95.8 | -39.1 | 179.5 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | V29 T30 K82 | V29-T32 PolarHBondContact O-N 2.86Å; V29-T32 PolarHBondContact O-OG1 3.28Å; T30-T32 PolarHBondContact O-N 3.22Å; T32-K82 VanDerWaalsContact O-CE 3.27Å; T32-K82 WeakPolarHBondContact O-CE 3.46Å; T32-K82 WeakPolarHBondContact O-CG 3.47Å |
| 33 | M | 97.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 6% | 0.064 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -97.3 | -34.3 | -172.3 | -169.7 | 177.4 | -82.7 | 0 | 0 | 113.5 | V29 T30 Y76 K82 L83 L400 V422 | V29-M33 HydrophobicContact CG2-CB 4.26Å; V29-M33 HydrophobicContact CG2-SD 4.32Å; V29-M33 WeakPolarHBondContact O-CB 3.2Å; V29-M33 PolarHBondContact O-N 2.81Å; T30-M33 PolarHBondContact O-N 2.63Å; M33-Y76 HydrophobicContact CE-CE2 4.1Å; M33-Y76 HydrophobicContact CG-CE2 4.33Å; M33-Y76 HydrophobicContact SD-CE2 4.48Å; M33-K82 CarbonylContact O-C 3.44Å; M33-K82 VanDerWaalsContact O-CA 3.23Å; M33-K82 WeakPolarHBondContact O-CA 3.26Å; M33-L83 HydrophobicContact CG-CG 4.4Å; M33-L83 PolarHBondContact O-N 3.42Å; M33-L400 HydrophobicContact SD-CD1 3.89Å; M33-V422 HydrophobicContact SD-CG1 3.72Å |
| 34 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -146.2 | 64.7 | -179.7 | -175.2 | 59.7 | 0 | 0 | 0 | 110.3 | T30 H40 N41 L74 L83 I420 V422 | T30-L34 WeakPolarHBondContact CG2-O 3.21Å; T30-L34 CarbonylContact O-C 3.42Å; T30-L34 WeakPolarHBondContact O-CA 3.21Å; T30-L34 PolarHBondContact O-N 2.9Å; T30-L34 VanDerWaalsContact O-O 3.07Å; L34-H40 HydrophobicContact CD1-CB 4.29Å; L34-N41 HydrophobicContact CD1-CB 3.86Å; L34-N41 HydrophobicContact CD2-CB 4.35Å; L34-N41 HydrophobicContact CG-CB 3.75Å; L34-N41 PolarHBondContact O-ND2 2.69Å; L34-L74 HydrophobicContact CD1-CD2 4.37Å; L34-L74 HydrophobicContact CD2-CD1 3.79Å; L34-L83 HydrophobicContact CB-CB 4.22Å; L34-L83 HydrophobicContact CB-CD1 4.24Å; L34-L83 HydrophobicContact CD1-CB 3.76Å; L34-L83 HydrophobicContact CD2-CD1 4.06Å; L34-L83 HydrophobicContact CG-CB 4.36Å; L34-I420 HydrophobicContact CD2-CB 4.07Å; L34-I420 HydrophobicContact CD2-CG2 3.95Å; L34-V422 HydrophobicContact CB-CG2 3.81Å; L34-V422 HydrophobicContact CD2-CG2 3.86Å; L34-V422 HydrophobicContact CG-CG2 4.48Å |
| 35 | P | 98.1 | Very high | 97.6 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 21% | 0.214 | 25% | 0.253 | C | S | . | . | trans | -60.1 | 138.8 | -175.3 | 23.7 | -33.3 | 0 | 0 | 0 | 111 | T30 D37 | T30-P35 WeakPolarHBondContact O-CA 3.45Å; P35-D37 PolarHBondContact O-N 2.62Å | ||
| 36 | P | 97.9 | Very high | 97.6 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | trans | -58.1 | 125.5 | 175.7 | -26.3 | 35.8 | 0 | 0 | 0 | 112.4 | N41 P419 | P36-N41 WeakPolarHBondContact CA-O 3.32Å; P36-P419 HydrophobicContact CB-CB 4.14Å; P36-P419 HydrophobicContact CB-CG 4.29Å; P36-P419 HydrophobicContact CG-CB 4.05Å; P36-P419 HydrophobicContact CG-CG 3.95Å | ||
| 37 | D | 97.4 | Very high | 97.6 | Very high | 59 Ų | 59 | 45.4 Ų | 45.4 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | trans | -155 | -179.6 | 175.8 | 67.1 | 39.7 | 0 | 0 | 0 | 110.1 | P35 V39 H40 N41 P42 | P35-D37 PolarHBondContact O-N 2.62Å; D37-V39 VanDerWaalsContact C-N 3.34Å; D37-V39 PolarHBondContact O-N 3.39Å; D37-V39 PolarHBondContact OD1-N 3.39Å; D37-H40 PolarHBondContact OD1-N 2.96Å; D37-H40 IonicContact OD2-CD2 3.83Å; D37-H40 PolarHBondContact OD2-CD2 2.82Å; D37-H40 VanDerWaalsContact OD2-CD2 3.28Å; D37-H40 IonicContact OD2-CG 3.01Å; D37-N41 PolarHBondContact N-O 3.36Å; D37-N41 CarbonylContact O-C 3.06Å; D37-N41 PolarHBondContact OD1-N 3.11Å; D37-P42 WeakPolarHBondContact O-CA 3.44Å | ||
| 38 | S | 95.5 | Very high | 97.6 | Very high | 105 Ų | 105 | 41 Ų | 41 | 73% | 0.734 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -81.4 | -5.6 | -176.9 | 55.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 39 | V | 94.6 | Very high | 97.6 | Very high | 57 Ų | 57 | 37.9 Ų | 37.9 | 35% | 0.345 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -118.7 | -52 | -168.1 | -179.6 | 0 | 0 | 0 | 0 | 112 | D37 N85 L88 | D37-V39 VanDerWaalsContact C-N 3.34Å; D37-V39 PolarHBondContact O-N 3.39Å; D37-V39 PolarHBondContact OD1-N 3.39Å; V39-N85 WeakPolarHBondContact O-CB 3.39Å; V39-N85 PolarHBondContact O-ND2 2.88Å; V39-L88 HydrophobicContact CG1-CD2 3.58Å |
| 40 | H | 97.2 | Very high | 97.6 | Very high | 56 Ų | 56 | 36.7 Ų | 36.7 | 26% | 0.259 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -95.5 | -38.6 | -174 | -53.1 | -50.6 | 0 | 0 | 0 | 112.1 | L34 D37 L74 N85 | L34-H40 HydrophobicContact CD1-CB 4.29Å; D37-H40 PolarHBondContact OD1-N 2.96Å; D37-H40 IonicContact OD2-CD2 3.83Å; D37-H40 PolarHBondContact OD2-CD2 2.82Å; D37-H40 VanDerWaalsContact OD2-CD2 3.28Å; D37-H40 IonicContact OD2-CG 3.01Å; H40-L74 WeakPolarHBondContact O-CD2 3.31Å; H40-N85 HydrophobicContact CB-CB 4.38Å; H40-N85 PolarHBondContact ND1-N 3.13Å |
| 41 | N | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -140.3 | 66.2 | 178.9 | -167.3 | 9.6 | 0 | 0 | 0 | 112.8 | L34 P36 D37 P419 I420 | L34-N41 HydrophobicContact CD1-CB 3.86Å; L34-N41 HydrophobicContact CD2-CB 4.35Å; L34-N41 HydrophobicContact CG-CB 3.75Å; L34-N41 PolarHBondContact O-ND2 2.69Å; P36-N41 WeakPolarHBondContact CA-O 3.32Å; D37-N41 PolarHBondContact N-O 3.36Å; D37-N41 CarbonylContact O-C 3.06Å; D37-N41 PolarHBondContact OD1-N 3.11Å; N41-P419 WeakPolarHBondContact OD1-CB 3.35Å; N41-I420 PolarHBondContact ND2-O 3.29Å; N41-I420 PolarHBondContact OD1-N 2.84Å |
| 42 | P | 97.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | trans | -61.8 | 141.4 | 179.8 | 25.9 | -34.6 | 0 | 0 | 0 | 112.3 | D37 Q44 L72 | D37-P42 WeakPolarHBondContact O-CA 3.44Å; P42-Q44 VanDerWaalsContact C-N 3.31Å; P42-Q44 HydrophobicContact CB-CB 4.46Å; P42-Q44 HydrophobicContact CB-CG 4.27Å; P42-Q44 HydrophobicContact CG-CG 3.98Å; P42-Q44 PolarHBondContact O-N 2.65Å; P42-L72 HydrophobicContact CG-CD1 4.22Å; P42-L72 HydrophobicContact CG-CD2 4.09Å | ||
| 43 | T | 97.6 | Very high | 97.6 | Very high | 81 Ų | 81 | 26.4 Ų | 26.4 | 50% | 0.497 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -71.1 | 93.1 | 163.4 | -60.2 | 0 | 0 | 0 | 0 | 108 | Q417 | T43-Q417 HydrophobicContact CG2-CB 3.88Š|
| 44 | Q | 97 | Very high | 97.6 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -141.4 | -174.2 | -178.5 | 69.8 | 179 | 19.2 | 0 | 0 | 110.5 | P42 N46 P70 Q417 Q418 | P42-Q44 VanDerWaalsContact C-N 3.31Å; P42-Q44 HydrophobicContact CB-CB 4.46Å; P42-Q44 HydrophobicContact CB-CG 4.27Å; P42-Q44 HydrophobicContact CG-CG 3.98Å; P42-Q44 PolarHBondContact O-N 2.65Å; Q44-N46 VanDerWaalsContact CG-OD1 3.23Å; Q44-N46 WeakPolarHBondContact CG-OD1 3.33Å; Q44-N46 PolarHBondContact NE2-OD1 3.43Å; Q44-N46 PolarHBondContact O-N 2.84Å; Q44-P70 PolarHBondContact NE2-O 2.82Å; Q44-Q417 VanDerWaalsContact O-CA 3.32Å; Q44-Q417 WeakPolarHBondContact O-CA 3.45Å; Q44-Q418 PolarHBondContact O-N 3.31Å; Q44-Q418 VanDerWaalsContact O-O 3.08Å |
| 45 | L | 97.3 | Very high | 97.6 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 11% | 0.105 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 93 | 171.8 | -56 | 170.9 | 0 | 0 | 0 | 107.8 | Y47 Y67 A416 Q417 | L45-Y47 HydrophobicContact CB-CE2 4.02Å; L45-Y67 WeakPolarHBondContact CB-O 3.45Å; L45-Y67 HydrophobicContact CD1-CD1 3.75Å; L45-Y67 HydrophobicContact CD1-CE1 4.48Å; L45-Y67 PolarHBondContact O-N 2.9Å; L45-A416 VanDerWaalsContact CD2-C 3.47Å; L45-Q417 HydrophobicContact CD2-CB 4.49Å; L45-Q417 HydrophobicContact CD2-CG 3.92Å; L45-Q417 HydrophobicContact CG-CG 3.99Å |
| 46 | N | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 144.4 | 173.8 | -59.5 | -65 | 0 | 0 | 0 | 108.9 | Q44 V64 T393 A411 H412 Q418 I420 | Q44-N46 VanDerWaalsContact CG-OD1 3.23Å; Q44-N46 WeakPolarHBondContact CG-OD1 3.33Å; Q44-N46 PolarHBondContact NE2-OD1 3.43Å; Q44-N46 PolarHBondContact O-N 2.84Å; N46-V64 HydrophobicContact CB-CG1 4.14Å; N46-T393 PolarHBondContact O-OG1 3.48Å; N46-A411 HydrophobicContact CB-CB 4.12Å; N46-H412 WeakPolarHBondContact CA-O 3.4Å; N46-H412 WeakPolarHBondContact CB-O 3.26Å; N46-H412 PolarHBondContact N-O 3.36Å; N46-H412 CarbonylContact O-C 3.55Å; N46-H412 VanDerWaalsContact O-C 3.26Å; N46-H412 VanDerWaalsContact O-O 3.05Å; N46-Q418 PolarHBondContact ND2-O 2.86Å; N46-Q418 VanDerWaalsContact ND2-O 3.07Å; N46-I420 HydrophobicContact CB-CG1 4.41Å |
| 47 | Y | 97.5 | Very high | 97.4 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | -133.4 | -179.8 | -79.5 | -96 | 0 | 0 | 0 | 110.6 | L45 A65 Y67 I106 T393 A411 E414 L472 | L45-Y47 HydrophobicContact CB-CE2 4.02Å; Y47-A65 PolarHBondContact N-O 2.99Å; Y47-Y67 HydrophobicContact CE2-CD2 4.27Å; Y47-Y67 AromaticContact CE2-CG 3.92Å; Y47-Y67 HydrophobicContact CE2-CG 3.92Å; Y47-I106 WeakPolarHBondContact CB-O 3.46Å; Y47-I106 HydrophobicContact CD1-CB 3.92Å; Y47-I106 HydrophobicContact CD1-CG2 3.94Å; Y47-I106 HydrophobicContact CD2-CG2 4.01Å; Y47-I106 HydrophobicContact CE1-CB 4.39Å; Y47-I106 HydrophobicContact CE1-CG2 3.99Å; Y47-I106 HydrophobicContact CE2-CG2 4.07Å; Y47-I106 HydrophobicContact CG-CB 3.97Å; Y47-I106 HydrophobicContact CG-CG2 3.93Å; Y47-T393 HydrophobicContact CD1-CG2 3.97Å; Y47-T393 HydrophobicContact CE1-CG2 4.01Å; Y47-A411 WeakPolarHBondContact O-CB 3.15Å; Y47-E414 HydrophobicContact CE1-CB 4Å; Y47-E414 HydrophobicContact CE1-CG 4.45Å; Y47-E414 VanDerWaalsContact OH-CA 3.27Å; Y47-E414 WeakPolarHBondContact OH-CA 3.44Å; Y47-E414 WeakPolarHBondContact OH-CB 2.92Å; Y47-L472 HydrophobicContact CD1-CD1 4.13Å |
| 48 | G | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 154 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A65 I106 L472 | G48-A65 PolarHBondContact O-N 2.89Å; G48-I106 PolarHBondContact N-O 2.95Å; G48-L472 VanDerWaalsContact CA-O 3.22Å; G48-L472 WeakPolarHBondContact CA-O 3.38Å |
| 49 | M | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.4 | 179.7 | -64.9 | 175.4 | 162.1 | 0 | 0 | 110.2 | V62 V63 V64 T396 L409 A411 I420 C473 E474 | M49-V62 HydrophobicContact CB-CG1 4.18Å; M49-V62 HydrophobicContact CG-CG1 4.38Å; M49-V62 HydrophobicContact SD-CG1 4.36Å; M49-V63 CarbonylContact C-O 3.56Å; M49-V63 WeakPolarHBondContact CA-O 3.03Å; M49-V64 HydrophobicContact CE-CG1 4Å; M49-V64 HydrophobicContact CE-CG2 4Å; M49-V64 HydrophobicContact CG-CB 4.49Å; M49-V64 HydrophobicContact CG-CG1 4.13Å; M49-V64 HydrophobicContact CG-CG2 4.14Å; M49-T396 HydrophobicContact CB-CG2 4.12Å; M49-T396 HydrophobicContact SD-CG2 4.22Å; M49-L409 HydrophobicContact SD-CB 4.14Å; M49-A411 HydrophobicContact CE-CB 3.57Å; M49-A411 HydrophobicContact CG-CB 4.39Å; M49-A411 HydrophobicContact SD-CB 4.2Å; M49-I420 HydrophobicContact CE-CB 4.41Å; M49-I420 HydrophobicContact CE-CD1 3.89Å; M49-I420 HydrophobicContact CE-CG1 3.79Å; M49-I420 HydrophobicContact CE-CG2 3.75Å; M49-C473 PolarHBondContact N-SG 3.27Å; M49-C473 VanDerWaalsContact N-SG 3.43Å; M49-C473 CarbonylContact O-C 3.26Å; M49-C473 WeakPolarHBondContact O-CA 3.31Å; M49-C473 VanDerWaalsContact O-CB 3.26Å; M49-C473 WeakPolarHBondContact O-CB 3.49Å; M49-E474 PolarHBondContact O-N 3.16Å |
| 50 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 147.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V63 V108 E474 | A50-V63 PolarHBondContact N-O 3.19Å; A50-V63 PolarHBondContact O-N 3.05Å; A50-V108 HydrophobicContact CB-CB 4.36Å; A50-V108 HydrophobicContact CB-CG1 3.81Å; A50-V108 HydrophobicContact CB-CG2 3.95Å; A50-E474 WeakPolarHBondContact CA-O 3.3Å; A50-E474 HydrophobicContact CB-CB 4Å |
| 51 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.6 | 177.9 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | L60 E61 V62 T396 T398 R447 E474 E476 P477 | V51-L60 HydrophobicContact CG1-CB 3.78Å; V51-L60 HydrophobicContact CG1-CD1 3.95Å; V51-L60 HydrophobicContact CG1-CG 4.35Å; V51-E61 WeakPolarHBondContact CA-O 3.32Å; V51-V62 HydrophobicContact CG2-CG2 4.24Å; V51-T396 HydrophobicContact CG2-CG2 3.68Å; V51-T396 VanDerWaalsContact CG2-OG1 3.23Å; V51-T396 WeakPolarHBondContact CG2-OG1 3.39Å; V51-T398 HydrophobicContact CG2-CG2 4.4Å; V51-R447 PolarHBondContact O-NH2 2.84Å; V51-E474 PolarHBondContact N-O 3.22Å; V51-E476 HydrophobicContact CB-CB 4.1Å; V51-E476 HydrophobicContact CG1-CB 3.79Å; V51-P477 WeakPolarHBondContact O-CD 3.31Å |
| 52 | T | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 165.4 | -178.1 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | V54 E61 V63 A110 E119 | T52-V54 HydrophobicContact CG2-CG2 3.65Å; T52-V54 PolarHBondContact O-N 2.87Å; T52-E61 PolarHBondContact N-O 2.99Å; T52-E61 VanDerWaalsContact N-O 3.12Å; T52-E61 PolarHBondContact O-N 2.97Å; T52-V63 HydrophobicContact CG2-CG2 4.18Å; T52-A110 HydrophobicContact CG2-CB 3.59Å; T52-E119 VanDerWaalsContact CB-OE2 3.26Å; T52-E119 WeakPolarHBondContact CB-OE2 3.45Å; T52-E119 PolarHBondContact OG1-OE2 2.9Å |
| 53 | D | 98 | Very high | 97.4 | Very high | 26 Ų | 26 | 22.6 Ų | 22.6 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | trans | -84.9 | 97.5 | 172.6 | 178.8 | 4.8 | 0 | 0 | 0 | 109.5 | G56 D57 G58 L60 F445 | D53-G56 WeakPolarHBondContact OD1-CA 3.32Å; D53-G56 PolarHBondContact OD1-N 2.95Å; D53-G56 WeakPolarHBondContact OD2-CA 3.11Å; D53-D57 PolarHBondContact OD1-N 3.2Å; D53-G58 WeakPolarHBondContact OD2-CA 3.33Å; D53-G58 PolarHBondContact OD2-N 3.29Å; D53-L60 HydrophobicContact CB-CD2 4.34Å; D53-F445 HydrophobicContact CB-CE2 4.29Å; D53-F445 HydrophobicContact CB-CZ 4.4Å | ||
| 54 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -83.1 | -36.9 | -173.1 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | T52 E61 V63 V73 Y95 L98 R118 I121 Y148 | T52-V54 HydrophobicContact CG2-CG2 3.65Å; T52-V54 PolarHBondContact O-N 2.87Å; V54-E61 WeakPolarHBondContact CA-OE2 3.37Å; V54-E61 HydrophobicContact CB-CB 4.3Å; V54-E61 HydrophobicContact CB-CG 4.38Å; V54-E61 WeakPolarHBondContact CB-OE2 3.29Å; V54-E61 HydrophobicContact CG2-CB 3.91Å; V54-E61 PolarHBondContact N-OE2 2.86Å; V54-V63 HydrophobicContact CG2-CG2 3.63Å; V54-V73 HydrophobicContact CB-CG1 3.95Å; V54-V73 HydrophobicContact CG1-CG1 3.87Å; V54-V73 HydrophobicContact CG2-CG1 3.86Å; V54-Y95 HydrophobicContact CG1-CD1 4.3Å; V54-L98 HydrophobicContact CG1-CD1 3.88Å; V54-R118 PolarHBondContact O-NH2 2.91Å; V54-I121 HydrophobicContact CG1-CD1 4.07Å; V54-I121 HydrophobicContact CG2-CD1 3.94Å; V54-Y148 HydrophobicContact CG1-CE2 3.68Å; V54-Y148 WeakPolarHBondContact O-CE2 3.36Å; V54-Y148 PolarHBondContact O-OH 2.77Å |
| 55 | D | 97.3 | Very high | 97.6 | Very high | 36 Ų | 36 | 18.1 Ų | 18.1 | 19% | 0.193 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -94 | -12.9 | -178.9 | 64.4 | 19.4 | 0 | 0 | 0 | 114.9 | D57 E61 K75 I86 Y95 R118 | D55-D57 PolarHBondContact OD1-N 3.06Å; D55-E61 PolarHBondContact N-OE2 2.97Å; D55-K75 IonicContact OD1-NZ 3.77Å; D55-K75 PolarHBondContact OD1-NZ 2.8Å; D55-K75 VanDerWaalsContact OD2-CD 3.3Å; D55-K75 WeakPolarHBondContact OD2-CD 3.26Å; D55-K75 WeakPolarHBondContact OD2-CE 3.3Å; D55-K75 IonicContact OD2-NZ 3.52Å; D55-K75 PolarHBondContact OD2-NZ 3.11Å; D55-I86 HydrophobicContact CB-CD1 4.34Å; D55-Y95 HydrophobicContact CB-CE1 4.04Å; D55-Y95 WeakPolarHBondContact CB-OH 3.47Å; D55-R118 PolarHBondContact O-NH2 2.83Å |
| 56 | G | 96 | Very high | 97.5 | Very high | 49 Ų | 49 | 17.1 Ų | 17.1 | 51% | 0.505 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 85.3 | 23.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D53 | D53-G56 WeakPolarHBondContact OD1-CA 3.32Å; D53-G56 PolarHBondContact OD1-N 2.95Å; D53-G56 WeakPolarHBondContact OD2-CA 3.11Å |
| 57 | D | 95.6 | Very high | 97.4 | Very high | 93 Ų | 93 | 18.5 Ų | 18.5 | 50% | 0.497 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -97.2 | -2.5 | 179.4 | 80.9 | -0.3 | 0 | 0 | 0 | 114.3 | D53 D55 D59 K75 | D53-D57 PolarHBondContact OD1-N 3.2Å; D55-D57 PolarHBondContact OD1-N 3.06Å; D57-D59 WeakPolarHBondContact OD1-CB 3.47Å; D57-D59 PolarHBondContact OD1-N 2.75Å; D57-K75 IonicContact OD1-NZ 2.69Å; D57-K75 PolarHBondContact OD1-NZ 3.08Å; D57-K75 WeakPolarHBondContact OD2-CE 3.31Å; D57-K75 IonicContact OD2-NZ 3.71Å; D57-K75 PolarHBondContact OD2-NZ 3.12Å |
| 58 | G | 93.1 | Very high | 97.2 | Very high | 49 Ų | 49 | 22.4 Ų | 22.4 | 51% | 0.505 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 89.2 | -13.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D53 | D53-G58 WeakPolarHBondContact OD2-CA 3.33Å; D53-G58 PolarHBondContact OD2-N 3.29Å |
| 59 | D | 95.1 | Very high | 96.9 | Very high | 57 Ų | 57 | 22.9 Ų | 22.9 | 31% | 0.305 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -78.3 | 147.6 | 166 | -77.8 | -30.4 | 0 | 0 | 0 | 108.8 | D57 R78 | D57-D59 WeakPolarHBondContact OD1-CB 3.47Å; D57-D59 PolarHBondContact OD1-N 2.75Å; D59-R78 IonicContact OD1-CZ 2.86Å; D59-R78 IonicContact OD1-NE 3.2Å; D59-R78 IonicContact OD1-NH2 3.43Å; D59-R78 PolarHBondContact OD1-NH2 3.42Å; D59-R78 IonicContact OD2-NE 2.94Å; D59-R78 PolarHBondContact OD2-NE 2.92Å; D59-R78 IonicContact OD2-NH2 2.76Å |
| 60 | L | 97.6 | Very high | 96.8 | Very high | 26 Ų | 26 | 23.3 Ų | 23.3 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -90.7 | 136.6 | -179.3 | -62.3 | 177.1 | 0 | 0 | 0 | 111.4 | V51 D53 F445 E476 V478 | V51-L60 HydrophobicContact CG1-CB 3.78Å; V51-L60 HydrophobicContact CG1-CD1 3.95Å; V51-L60 HydrophobicContact CG1-CG 4.35Å; D53-L60 HydrophobicContact CB-CD2 4.34Å; L60-F445 HydrophobicContact CD2-CE1 4.42Å; L60-F445 HydrophobicContact CD2-CE2 4.12Å; L60-F445 HydrophobicContact CD2-CZ 3.62Å; L60-E476 HydrophobicContact CD1-CB 4.16Å; L60-V478 HydrophobicContact CD1-CG2 3.93Å |
| 61 | E | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 155.8 | 170.3 | -74.3 | 75.9 | -123.8 | 0 | 0 | 112.1 | V51 T52 V54 D55 V73 L74 K75 I86 | V51-E61 WeakPolarHBondContact CA-O 3.32Å; T52-E61 PolarHBondContact N-O 2.99Å; T52-E61 VanDerWaalsContact N-O 3.12Å; T52-E61 PolarHBondContact O-N 2.97Å; V54-E61 WeakPolarHBondContact CA-OE2 3.37Å; V54-E61 HydrophobicContact CB-CB 4.3Å; V54-E61 HydrophobicContact CB-CG 4.38Å; V54-E61 WeakPolarHBondContact CB-OE2 3.29Å; V54-E61 HydrophobicContact CG2-CB 3.91Å; V54-E61 PolarHBondContact N-OE2 2.86Å; D55-E61 PolarHBondContact N-OE2 2.97Å; E61-V73 HydrophobicContact CB-CG1 3.95Å; E61-V73 HydrophobicContact CG-CG1 4.05Å; E61-L74 WeakPolarHBondContact CA-O 3.4Å; E61-L74 WeakPolarHBondContact CB-O 3.38Å; E61-K75 HydrophobicContact CG-CB 3.72Å; E61-K75 HydrophobicContact CG-CG 4.09Å; E61-K75 WeakPolarHBondContact OE1-CD 3.12Å; E61-K75 WeakPolarHBondContact OE1-CG 3.46Å; E61-K75 IonicContact OE1-NZ 3.71Å; E61-K75 PolarHBondContact OE1-NZ 3.03Å; E61-I86 HydrophobicContact CG-CD1 4.21Å |
| 62 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 113.8 | 168.8 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | M49 V51 V64 L74 T396 T398 L400 L409 | M49-V62 HydrophobicContact CB-CG1 4.18Å; M49-V62 HydrophobicContact CG-CG1 4.38Å; M49-V62 HydrophobicContact SD-CG1 4.36Å; V51-V62 HydrophobicContact CG2-CG2 4.24Å; V62-V64 HydrophobicContact CG1-CG2 4.13Å; V62-L74 HydrophobicContact CB-CB 4.33Å; V62-L74 PolarHBondContact N-O 2.94Å; V62-L74 PolarHBondContact O-N 3.25Å; V62-T396 HydrophobicContact CG1-CG2 3.87Å; V62-T396 HydrophobicContact CG2-CG2 4.38Å; V62-T398 HydrophobicContact CG2-CG2 4.12Å; V62-L400 HydrophobicContact CG2-CD2 4.35Å; V62-L409 HydrophobicContact CB-CD2 4.49Å; V62-L409 HydrophobicContact CG1-CD2 4.41Å; V62-L409 HydrophobicContact CG2-CD1 4.43Å; V62-L409 HydrophobicContact CG2-CD2 4.06Å |
| 63 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 129.8 | 172.6 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | M49 A50 T52 V54 L72 V73 V108 I121 F123 | M49-V63 CarbonylContact C-O 3.56Å; M49-V63 WeakPolarHBondContact CA-O 3.03Å; A50-V63 PolarHBondContact N-O 3.19Å; A50-V63 PolarHBondContact O-N 3.05Å; T52-V63 HydrophobicContact CG2-CG2 4.18Å; V54-V63 HydrophobicContact CG2-CG2 3.63Å; V63-L72 CarbonylContact C-O 3.58Å; V63-L72 WeakPolarHBondContact CA-O 3.42Å; V63-V73 HydrophobicContact CG1-CG2 4.49Å; V63-V108 HydrophobicContact CB-CG2 4.26Å; V63-V108 HydrophobicContact CG1-CG2 3.82Å; V63-I121 HydrophobicContact CG1-CG2 4.2Å; V63-I121 HydrophobicContact CG2-CD1 4.28Å; V63-F123 HydrophobicContact CG1-CE1 3.89Å; V63-F123 HydrophobicContact CG1-CE2 4.38Å; V63-F123 HydrophobicContact CG1-CZ 3.42Å; V63-F123 VanDerWaalsContact CG1-CZ 3.42Å |
| 64 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.4 | -175.5 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | N46 M49 V62 N71 L72 L74 I420 | N46-V64 HydrophobicContact CB-CG1 4.14Å; M49-V64 HydrophobicContact CE-CG1 4Å; M49-V64 HydrophobicContact CE-CG2 4Å; M49-V64 HydrophobicContact CG-CB 4.49Å; M49-V64 HydrophobicContact CG-CG1 4.13Å; M49-V64 HydrophobicContact CG-CG2 4.14Å; V62-V64 HydrophobicContact CG1-CG2 4.13Å; V64-N71 VanDerWaalsContact O-CA 3.26Å; V64-N71 WeakPolarHBondContact O-CA 3.39Å; V64-N71 WeakPolarHBondContact O-CB 3.44Å; V64-L72 HydrophobicContact CB-CB 4.09Å; V64-L72 HydrophobicContact CG2-CB 4.3Å; V64-L72 PolarHBondContact N-O 3.13Å; V64-L72 PolarHBondContact O-N 2.72Å; V64-L74 HydrophobicContact CG2-CD1 4.11Å; V64-L74 HydrophobicContact CG2-CG 4.45Å; V64-I420 HydrophobicContact CB-CD1 4.48Å; V64-I420 HydrophobicContact CG1-CD1 4.13Å; V64-I420 HydrophobicContact CG2-CD1 3.91Å |
| 65 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y47 G48 A105 V108 | Y47-A65 PolarHBondContact N-O 2.99Å; G48-A65 PolarHBondContact O-N 2.89Å; A65-A105 HydrophobicContact CB-CB 3.89Å; A65-V108 HydrophobicContact CB-CG1 4.49Å |
| 66 | G | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G69 N71 A105 | G66-G69 CarbonylContact C-O 3.4Å; G66-N71 PolarHBondContact N-OD1 2.83Å; G66-A105 CarbonylContact C-O 3.5Å; G66-A105 VanDerWaalsContact C-O 3.31Å; G66-A105 PolarHBondContact O-N 3.1Å |
| 67 | Y | 95.3 | Very high | 97 | Very high | 29 Ų | 29 | 22.8 Ų | 22.8 | 11% | 0.114 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.4 | 174.4 | -170.8 | -76.6 | 0 | 0 | 0 | 110.6 | L45 Y47 G69 N104 I106 N128 | L45-Y67 WeakPolarHBondContact CB-O 3.45Å; L45-Y67 HydrophobicContact CD1-CD1 3.75Å; L45-Y67 HydrophobicContact CD1-CE1 4.48Å; L45-Y67 PolarHBondContact O-N 2.9Å; Y47-Y67 HydrophobicContact CE2-CD2 4.27Å; Y47-Y67 AromaticContact CE2-CG 3.92Å; Y47-Y67 HydrophobicContact CE2-CG 3.92Å; Y67-G69 PolarHBondContact O-N 2.82Å; Y67-G69 VanDerWaalsContact O-N 3.13Å; Y67-N104 HydrophobicContact CD2-CB 3.71Å; Y67-N104 HydrophobicContact CE2-CB 3.74Å; Y67-N104 HydrophobicContact CG-CB 4.26Å; Y67-I106 HydrophobicContact CD2-CG2 3.68Å; Y67-I106 HydrophobicContact CE2-CG2 4.36Å; Y67-N128 VanDerWaalsContact OH-CA 3.23Å; Y67-N128 WeakPolarHBondContact OH-CA 3.34Å; Y67-N128 PolarHBondContact OH-N 2.75Å; Y67-N128 PolarHBondContact OH-OD1 3.45Å |
| 68 | N | 92.1 | Very high | 96.9 | Very high | 104 Ų | 104 | 24.5 Ų | 24.5 | 56% | 0.556 | 13% | 0.131 | S | C | * | . | S | Bend | trans | 50.6 | 28.5 | -168.8 | -72.7 | -29.3 | 0 | 0 | 0 | 112.8 | N104 | N68-N104 WeakPolarHBondContact CA-OD1 3.38Å; N68-N104 PolarHBondContact N-OD1 3.46Å; N68-N104 PolarHBondContact OD1-OD1 3.19Å; N68-N104 VanDerWaalsContact OD1-OD1 3.11Å |
| 69 | G | 92.7 | Very high | 97 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -166.9 | 160.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G66 Y67 | G66-G69 CarbonylContact C-O 3.4Å; Y67-G69 PolarHBondContact O-N 2.82Å; Y67-G69 VanDerWaalsContact O-N 3.13Å |
| 70 | P | 96.5 | Very high | 97.1 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.058 | 16% | 0.156 | C | C | . | . | trans | -70.9 | 153.5 | -178.9 | 29.9 | -35.5 | 0 | 0 | 0 | 112.2 | Q44 R99 R101 | Q44-P70 PolarHBondContact NE2-O 2.82Å; P70-R99 WeakPolarHBondContact CA-O 3.21Å; P70-R99 HydrophobicContact CB-CB 4.41Å; P70-R101 HydrophobicContact CB-CG 3.95Å | ||
| 71 | N | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | trans | -66.3 | 157.9 | 165.6 | -53.9 | -42.7 | 0 | 0 | 0 | 110.8 | V64 G66 L98 R99 A105 F123 | V64-N71 VanDerWaalsContact O-CA 3.26Å; V64-N71 WeakPolarHBondContact O-CA 3.39Å; V64-N71 WeakPolarHBondContact O-CB 3.44Å; G66-N71 PolarHBondContact N-OD1 2.83Å; N71-L98 VanDerWaalsContact CB-O 3.32Å; N71-L98 WeakPolarHBondContact CB-O 3.38Å; N71-L98 PolarHBondContact ND2-O 2.85Å; N71-R99 PolarHBondContact N-O 3.39Å; N71-R99 VanDerWaalsContact N-O 3.11Å; N71-R99 WeakPolarHBondContact O-CD 3.47Å; N71-R99 PolarHBondContact O-NH1 2.88Å; N71-A105 WeakPolarHBondContact OD1-CB 3.48Å; N71-F123 HydrophobicContact CB-CE1 3.7Å; N71-F123 HydrophobicContact CB-CZ 3.78Å; N71-F123 WeakPolarHBondContact ND2-CE1 3.46Å | ||
| 72 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.9 | 179 | -48.8 | 174.4 | 0 | 0 | 0 | 110.3 | P42 V63 V64 L74 I420 | P42-L72 HydrophobicContact CG-CD1 4.22Å; P42-L72 HydrophobicContact CG-CD2 4.09Å; V63-L72 CarbonylContact C-O 3.58Å; V63-L72 WeakPolarHBondContact CA-O 3.42Å; V64-L72 HydrophobicContact CB-CB 4.09Å; V64-L72 HydrophobicContact CG2-CB 4.3Å; V64-L72 PolarHBondContact N-O 3.13Å; V64-L72 PolarHBondContact O-N 2.72Å; L72-L74 HydrophobicContact CB-CD2 4.12Å; L72-L74 HydrophobicContact CB-CG 4.37Å; L72-I420 HydrophobicContact CD1-CD1 3.9Å |
| 73 | V | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 103.7 | 168.6 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | V54 E61 V63 N85 I86 A87 L98 | V54-V73 HydrophobicContact CB-CG1 3.95Å; V54-V73 HydrophobicContact CG1-CG1 3.87Å; V54-V73 HydrophobicContact CG2-CG1 3.86Å; E61-V73 HydrophobicContact CB-CG1 3.95Å; E61-V73 HydrophobicContact CG-CG1 4.05Å; V63-V73 HydrophobicContact CG1-CG2 4.49Å; V73-N85 PolarHBondContact N-OD1 2.8Å; V73-N85 CarbonylContact O-C 3.48Å; V73-N85 WeakPolarHBondContact O-CA 3.45Å; V73-N85 PolarHBondContact O-OD1 3.13Å; V73-N85 VanDerWaalsContact O-OD1 3.14Å; V73-I86 HydrophobicContact CB-CG1 3.88Å; V73-I86 HydrophobicContact CG1-CD1 3.76Å; V73-I86 HydrophobicContact CG1-CG1 3.56Å; V73-I86 PolarHBondContact O-N 3.42Å; V73-A87 HydrophobicContact CB-CB 3.97Å; V73-A87 HydrophobicContact CG2-CB 3.75Å; V73-L98 HydrophobicContact CG2-CB 4.42Å; V73-L98 HydrophobicContact CG2-CD1 3.86Å |
| 74 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 115.8 | -171.1 | -53.6 | 179 | 0 | 0 | 0 | 110.5 | L34 H40 E61 V62 V64 L72 L83 V84 N85 I420 | L34-L74 HydrophobicContact CD1-CD2 4.37Å; L34-L74 HydrophobicContact CD2-CD1 3.79Å; H40-L74 WeakPolarHBondContact O-CD2 3.31Å; E61-L74 WeakPolarHBondContact CA-O 3.4Å; E61-L74 WeakPolarHBondContact CB-O 3.38Å; V62-L74 HydrophobicContact CB-CB 4.33Å; V62-L74 PolarHBondContact N-O 2.94Å; V62-L74 PolarHBondContact O-N 3.25Å; V64-L74 HydrophobicContact CG2-CD1 4.11Å; V64-L74 HydrophobicContact CG2-CG 4.45Å; L72-L74 HydrophobicContact CB-CD2 4.12Å; L72-L74 HydrophobicContact CB-CG 4.37Å; L74-L83 HydrophobicContact CB-CD2 4.27Å; L74-V84 WeakPolarHBondContact CA-O 3.46Å; L74-N85 HydrophobicContact CD2-CB 3.96Å; L74-I420 HydrophobicContact CD1-CD1 3.9Å |
| 75 | K | 98.3 | Very high | 96.8 | Very high | 25 Ų | 25 | 40 Ų | 40 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.9 | 175.3 | -173.3 | 170.8 | -168.1 | 93.5 | 0 | 111.1 | D55 D57 E61 N77 L83 V84 I86 | D55-K75 IonicContact OD1-NZ 3.77Å; D55-K75 PolarHBondContact OD1-NZ 2.8Å; D55-K75 VanDerWaalsContact OD2-CD 3.3Å; D55-K75 WeakPolarHBondContact OD2-CD 3.26Å; D55-K75 WeakPolarHBondContact OD2-CE 3.3Å; D55-K75 IonicContact OD2-NZ 3.52Å; D55-K75 PolarHBondContact OD2-NZ 3.11Å; D57-K75 IonicContact OD1-NZ 2.69Å; D57-K75 PolarHBondContact OD1-NZ 3.08Å; D57-K75 WeakPolarHBondContact OD2-CE 3.31Å; D57-K75 IonicContact OD2-NZ 3.71Å; D57-K75 PolarHBondContact OD2-NZ 3.12Å; E61-K75 HydrophobicContact CG-CB 3.72Å; E61-K75 HydrophobicContact CG-CG 4.09Å; E61-K75 WeakPolarHBondContact OE1-CD 3.12Å; E61-K75 WeakPolarHBondContact OE1-CG 3.46Å; E61-K75 IonicContact OE1-NZ 3.71Å; E61-K75 PolarHBondContact OE1-NZ 3.03Å; K75-N77 PolarHBondContact O-N 3.24Å; K75-L83 CarbonylContact O-C 3.15Å; K75-L83 WeakPolarHBondContact O-CA 3.11Å; K75-V84 PolarHBondContact N-O 2.89Å; K75-V84 PolarHBondContact O-N 3.3Å; K75-I86 HydrophobicContact CB-CG2 3.77Å; K75-I86 HydrophobicContact CD-CG2 4.34Å |
| 76 | Y | 98.2 | Very high | 96.8 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 111.7 | 173.9 | -173.1 | -109.9 | 0 | 0 | 0 | 111.1 | M33 R78 N81 L83 L400 D401 | M33-Y76 HydrophobicContact CE-CE2 4.1Å; M33-Y76 HydrophobicContact CG-CE2 4.33Å; M33-Y76 HydrophobicContact SD-CE2 4.48Å; Y76-R78 HydrophobicContact CD1-CG 3.85Å; Y76-R78 HydrophobicContact CE1-CB 4.46Å; Y76-R78 HydrophobicContact CE1-CG 3.96Å; Y76-R78 PolarHBondContact O-N 3.04Å; Y76-N81 WeakPolarHBondContact OH-CA 3.1Å; Y76-N81 PolarHBondContact OH-OD1 2.78Å; Y76-L83 HydrophobicContact CD2-CD2 4.44Å; Y76-L83 HydrophobicContact CD2-CG 4.5Å; Y76-L400 WeakPolarHBondContact CD1-O 3.28Å; Y76-L400 HydrophobicContact CD2-CB 4.4Å; Y76-L400 HydrophobicContact CG-CB 4.37Å; Y76-D401 HydrophobicContact CD1-CB 4.27Å; Y76-D401 HydrophobicContact CE1-CB 3.52Å |
| 77 | N | 97.2 | Very high | 96.8 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 99.2 | 173.5 | -172.8 | -43.4 | 0 | 0 | 0 | 109.8 | K75 T79 Q80 N81 K82 V84 | K75-N77 PolarHBondContact O-N 3.24Å; N77-T79 PolarHBondContact O-N 2.95Å; N77-T79 VanDerWaalsContact O-N 3.15Å; N77-T79 WeakPolarHBondContact OD1-CA 3.08Å; N77-T79 WeakPolarHBondContact OD1-CB 3.49Å; N77-T79 PolarHBondContact OD1-N 3.24Å; N77-Q80 HydrophobicContact CB-CB 4.19Å; N77-Q80 PolarHBondContact ND2-OE1 2.81Å; N77-Q80 CarbonylContact O-C 3.57Å; N77-Q80 PolarHBondContact O-N 2.7Å; N77-Q80 PolarHBondContact OD1-N 2.65Å; N77-N81 WeakPolarHBondContact O-CA 3.13Å; N77-N81 PolarHBondContact O-N 2.88Å; N77-K82 WeakPolarHBondContact CA-O 3.45Å; N77-K82 WeakPolarHBondContact CB-O 3.12Å; N77-K82 PolarHBondContact N-O 2.81Å; N77-K82 PolarHBondContact O-N 2.53Å; N77-V84 HydrophobicContact CB-CG1 4.3Å; N77-V84 HydrophobicContact CB-CG2 4.12Å |
| 78 | R | 94.6 | Very high | 96.7 | Very high | 129 Ų | 129 | 43.5 Ų | 43.5 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.7 | 178.6 | -61.8 | 178.4 | -175.1 | -105.5 | 6.6 | 114.2 | D59 Y76 N81 D401 | D59-R78 IonicContact OD1-CZ 2.86Å; D59-R78 IonicContact OD1-NE 3.2Å; D59-R78 IonicContact OD1-NH2 3.43Å; D59-R78 PolarHBondContact OD1-NH2 3.42Å; D59-R78 IonicContact OD2-NE 2.94Å; D59-R78 PolarHBondContact OD2-NE 2.92Å; D59-R78 IonicContact OD2-NH2 2.76Å; Y76-R78 HydrophobicContact CD1-CG 3.85Å; Y76-R78 HydrophobicContact CE1-CB 4.46Å; Y76-R78 HydrophobicContact CE1-CG 3.96Å; Y76-R78 PolarHBondContact O-N 3.04Å; R78-N81 PolarHBondContact O-OD1 3.33Å; R78-D401 PolarHBondContact NH1-O 3.07Å |
| 79 | T | 95.3 | Very high | 96.6 | Very high | 133 Ų | 133 | 42 Ų | 42 | 82% | 0.816 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -35.2 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | N77 | N77-T79 PolarHBondContact O-N 2.95Å; N77-T79 VanDerWaalsContact O-N 3.15Å; N77-T79 WeakPolarHBondContact OD1-CA 3.08Å; N77-T79 WeakPolarHBondContact OD1-CB 3.49Å; N77-T79 PolarHBondContact OD1-N 3.24Å |
| 80 | Q | 95.9 | Very high | 96.7 | Very high | 110 Ų | 110 | 45.3 Ų | 45.3 | 51% | 0.514 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -13.2 | -178.9 | -63.9 | -176.5 | -36.4 | 0 | 0 | 113.1 | N77 K82 | N77-Q80 HydrophobicContact CB-CB 4.19Å; N77-Q80 PolarHBondContact ND2-OE1 2.81Å; N77-Q80 CarbonylContact O-C 3.57Å; N77-Q80 PolarHBondContact O-N 2.7Å; N77-Q80 PolarHBondContact OD1-N 2.65Å; Q80-K82 HydrophobicContact CB-CB 4.17Å; Q80-K82 PolarHBondContact O-N 3.46Å |
| 81 | N | 95.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 48.4 Ų | 48.4 | 53% | 0.529 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 44.5 | -168 | -61.8 | -44 | 0 | 0 | 0 | 112 | Y76 N77 R78 | Y76-N81 WeakPolarHBondContact OH-CA 3.1Å; Y76-N81 PolarHBondContact OH-OD1 2.78Å; N77-N81 WeakPolarHBondContact O-CA 3.13Å; N77-N81 PolarHBondContact O-N 2.88Å; R78-N81 PolarHBondContact O-OD1 3.33Å |
| 82 | K | 97.3 | Very high | 96.3 | Very high | 83 Ų | 83 | 54.9 Ų | 54.9 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.1 | -174.2 | -73.7 | -178.7 | -177.4 | -172.8 | 0 | 111.7 | T32 M33 N77 Q80 | T32-K82 VanDerWaalsContact O-CE 3.27Å; T32-K82 WeakPolarHBondContact O-CE 3.46Å; T32-K82 WeakPolarHBondContact O-CG 3.47Å; M33-K82 CarbonylContact O-C 3.44Å; M33-K82 VanDerWaalsContact O-CA 3.23Å; M33-K82 WeakPolarHBondContact O-CA 3.26Å; N77-K82 WeakPolarHBondContact CA-O 3.45Å; N77-K82 WeakPolarHBondContact CB-O 3.12Å; N77-K82 PolarHBondContact N-O 2.81Å; N77-K82 PolarHBondContact O-N 2.53Å; Q80-K82 HydrophobicContact CB-CB 4.17Å; Q80-K82 PolarHBondContact O-N 3.46Å |
| 83 | L | 98.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.4 | 163 | -73.1 | 169.8 | 0 | 0 | 0 | 109.9 | M33 L34 L74 K75 Y76 L400 L409 V422 | M33-L83 HydrophobicContact CG-CG 4.4Å; M33-L83 PolarHBondContact O-N 3.42Å; L34-L83 HydrophobicContact CB-CB 4.22Å; L34-L83 HydrophobicContact CB-CD1 4.24Å; L34-L83 HydrophobicContact CD1-CB 3.76Å; L34-L83 HydrophobicContact CD2-CD1 4.06Å; L34-L83 HydrophobicContact CG-CB 4.36Å; L74-L83 HydrophobicContact CB-CD2 4.27Å; K75-L83 CarbonylContact O-C 3.15Å; K75-L83 WeakPolarHBondContact O-CA 3.11Å; Y76-L83 HydrophobicContact CD2-CD2 4.44Å; Y76-L83 HydrophobicContact CD2-CG 4.5Å; L83-L400 HydrophobicContact CD1-CD1 3.86Å; L83-L400 HydrophobicContact CD2-CD1 4.14Å; L83-L400 HydrophobicContact CD2-CD2 4.01Å; L83-L400 HydrophobicContact CG-CD1 4.21Å; L83-L409 HydrophobicContact CD1-CD2 3.88Å; L83-V422 HydrophobicContact CD1-CG2 4.18Å |
| 84 | V | 98.1 | Very high | 96 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.7 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 110 | L74 K75 N77 I86 | L74-V84 WeakPolarHBondContact CA-O 3.46Å; K75-V84 PolarHBondContact N-O 2.89Å; K75-V84 PolarHBondContact O-N 3.3Å; N77-V84 HydrophobicContact CB-CG1 4.3Å; N77-V84 HydrophobicContact CB-CG2 4.12Å; V84-I86 HydrophobicContact CG2-CG2 4.42Å; V84-I86 PolarHBondContact O-N 3.39Å |
| 85 | N | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 115.8 | 171.9 | 179.6 | 23.7 | 0 | 0 | 0 | 111 | V39 H40 V73 L74 A87 L88 R99 | V39-N85 WeakPolarHBondContact O-CB 3.39Å; V39-N85 PolarHBondContact O-ND2 2.88Å; H40-N85 HydrophobicContact CB-CB 4.38Å; H40-N85 PolarHBondContact ND1-N 3.13Å; V73-N85 PolarHBondContact N-OD1 2.8Å; V73-N85 CarbonylContact O-C 3.48Å; V73-N85 WeakPolarHBondContact O-CA 3.45Å; V73-N85 PolarHBondContact O-OD1 3.13Å; V73-N85 VanDerWaalsContact O-OD1 3.14Å; L74-N85 HydrophobicContact CD2-CB 3.96Å; N85-A87 VanDerWaalsContact CG-O 3.3Å; N85-A87 PolarHBondContact ND2-O 2.8Å; N85-A87 PolarHBondContact OD1-N 2.78Å; N85-A87 VanDerWaalsContact OD1-N 3.09Å; N85-A87 PolarHBondContact OD1-O 3.45Å; N85-L88 WeakPolarHBondContact O-CD2 3.39Å; N85-R99 PolarHBondContact ND2-NH1 3.29Å |
| 86 | I | 97.4 | Very high | 95.9 | Very high | 30 Ų | 30 | 62.8 Ų | 62.8 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | trans | -88.7 | -21 | 178.2 | 64.1 | 170.9 | 0 | 0 | 0 | 112.7 | D55 E61 V73 K75 V84 L88 Y95 | D55-I86 HydrophobicContact CB-CD1 4.34Å; E61-I86 HydrophobicContact CG-CD1 4.21Å; V73-I86 HydrophobicContact CB-CG1 3.88Å; V73-I86 HydrophobicContact CG1-CD1 3.76Å; V73-I86 HydrophobicContact CG1-CG1 3.56Å; V73-I86 PolarHBondContact O-N 3.42Å; K75-I86 HydrophobicContact CB-CG2 3.77Å; K75-I86 HydrophobicContact CD-CG2 4.34Å; V84-I86 HydrophobicContact CG2-CG2 4.42Å; V84-I86 PolarHBondContact O-N 3.39Å; I86-L88 PolarHBondContact O-N 2.84Å; I86-L88 VanDerWaalsContact O-N 3.11Å; I86-Y95 HydrophobicContact CB-CD2 4.29Å; I86-Y95 HydrophobicContact CB-CE2 4.48Å; I86-Y95 HydrophobicContact CD1-CD2 4.33Å; I86-Y95 HydrophobicContact CD1-CE1 4.5Å; I86-Y95 HydrophobicContact CD1-CE2 4.18Å; I86-Y95 HydrophobicContact CG1-CD2 4.3Å; I86-Y95 WeakPolarHBondContact O-CD2 3.49Å | ||
| 87 | A | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -78.4 | 93.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | V73 N85 R99 | V73-A87 HydrophobicContact CB-CB 3.97Å; V73-A87 HydrophobicContact CG2-CB 3.75Å; N85-A87 VanDerWaalsContact CG-O 3.3Å; N85-A87 PolarHBondContact ND2-O 2.8Å; N85-A87 PolarHBondContact OD1-N 2.78Å; N85-A87 VanDerWaalsContact OD1-N 3.09Å; N85-A87 PolarHBondContact OD1-O 3.45Å; A87-R99 HydrophobicContact CB-CG 4.32Å; A87-R99 WeakPolarHBondContact O-CD 3.28Å | ||
| 88 | L | 93.3 | Very high | 96 | Very high | 74 Ų | 74 | 60.5 Ų | 60.5 | 39% | 0.387 | 32% | 0.316 | S | S | . | . | trans | -101.2 | 154.7 | 178.2 | -59.9 | -179.7 | 0 | 0 | 0 | 111.2 | V39 N85 I86 N90 | V39-L88 HydrophobicContact CG1-CD2 3.58Å; N85-L88 WeakPolarHBondContact O-CD2 3.39Å; I86-L88 PolarHBondContact O-N 2.84Å; I86-L88 VanDerWaalsContact O-N 3.11Å; L88-N90 PolarHBondContact O-N 2.93Å | ||
| 89 | D | 91.7 | Very high | 96.1 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -77.4 | 56.3 | 175 | -58.8 | -65.3 | 0 | 0 | 0 | 112.3 | R99 R101 | D89-R99 IonicContact OD1-CZ 2.91Å; D89-R99 IonicContact OD1-NE 2.88Å; D89-R99 PolarHBondContact OD1-NE 3.49Å; D89-R99 IonicContact OD1-NH2 2.69Å; D89-R99 IonicContact OD2-CZ 3.33Å; D89-R99 IonicContact OD2-NE 3.83Å; D89-R99 PolarHBondContact OD2-NE 2.84Å; D89-R99 IonicContact OD2-NH2 3.2Å; D89-R99 PolarHBondContact OD2-NH2 2.75Å; D89-R101 VanDerWaalsContact CG-NE 3.33Å; D89-R101 VanDerWaalsContact CG-NH2 3.26Å; D89-R101 IonicContact OD1-CZ 3.87Å; D89-R101 IonicContact OD1-NE 2.99Å; D89-R101 PolarHBondContact OD1-NE 3.47Å; D89-R101 IonicContact OD1-NH2 3.62Å; D89-R101 PolarHBondContact OD1-NH2 2.84Å; D89-R101 IonicContact OD2-CZ 3.32Å; D89-R101 IonicContact OD2-NE 3.48Å; D89-R101 IonicContact OD2-NH2 3Å; D89-R101 PolarHBondContact OD2-NH2 2.7Å |
| 90 | N | 93.9 | Very high | 96.1 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 42% | 0.422 | 26% | 0.259 | S | S | . | . | trans | -122 | 117 | 172.2 | 177.5 | 1.8 | 0 | 0 | 0 | 107.3 | L88 D92 S93 Y96 | L88-N90 PolarHBondContact O-N 2.93Å; N90-D92 PolarHBondContact O-N 3.32Å; N90-D92 WeakPolarHBondContact OD1-CB 3.47Å; N90-D92 PolarHBondContact OD1-N 3.13Å; N90-D92 VanDerWaalsContact OD1-N 3.09Å; N90-S93 WeakPolarHBondContact O-CB 3.19Å; N90-S93 PolarHBondContact O-N 3.04Å; N90-Y96 WeakPolarHBondContact O-CB 3.4Å; N90-Y96 WeakPolarHBondContact O-CD2 3.34Å | ||
| 91 | S | 92.9 | Very high | 96 | Very high | 73 Ų | 73 | 50.8 Ų | 50.8 | 51% | 0.51 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.9 | -178.2 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | S93 R147 | S91-S93 VanDerWaalsContact C-N 3.33Å; S91-R147 PolarHBondContact O-NH2 2.84Å |
| 92 | D | 93.3 | Very high | 95.7 | Very high | 139 Ų | 139 | 49 Ų | 49 | 74% | 0.743 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -13 | 177.1 | -57.5 | -21.8 | 0 | 0 | 0 | 112.4 | N90 | N90-D92 PolarHBondContact O-N 3.32Å; N90-D92 WeakPolarHBondContact OD1-CB 3.47Å; N90-D92 PolarHBondContact OD1-N 3.13Å; N90-D92 VanDerWaalsContact OD1-N 3.09Å |
| 93 | S | 94.8 | Very high | 95.4 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -69.9 | 136.2 | 176 | 178 | 0 | 0 | 0 | 0 | 110.8 | N90 S91 Y95 Y96 | N90-S93 WeakPolarHBondContact O-CB 3.19Å; N90-S93 PolarHBondContact O-N 3.04Å; S91-S93 VanDerWaalsContact C-N 3.33Å; S93-Y95 PolarHBondContact O-N 2.92Å; S93-Y95 VanDerWaalsContact O-N 3.16Å; S93-Y95 PolarHBondContact OG-N 2.9Å; S93-Y96 WeakPolarHBondContact O-CB 3.48Å; S93-Y96 PolarHBondContact O-N 3.27Å |
| 94 | P | 97.1 | Very high | 95.1 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 26% | 0.26 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.7 | 173.8 | 28.7 | -36.4 | 0 | 0 | 0 | 112.6 | F143 G146 R147 Y148 | P94-F143 HydrophobicContact CB-CE2 4.06Å; P94-G146 VanDerWaalsContact CB-O 3.25Å; P94-G146 WeakPolarHBondContact CB-O 3.42Å; P94-R147 HydrophobicContact CB-CB 4.14Å; P94-Y148 PolarHBondContact O-N 3.25Å |
| 95 | Y | 97.8 | Very high | 95 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -0.8 | -178 | -46.2 | -60.9 | 0 | 0 | 0 | 113.4 | V54 D55 I86 S93 A97 L98 Y148 | V54-Y95 HydrophobicContact CG1-CD1 4.3Å; D55-Y95 HydrophobicContact CB-CE1 4.04Å; D55-Y95 WeakPolarHBondContact CB-OH 3.47Å; I86-Y95 HydrophobicContact CB-CD2 4.29Å; I86-Y95 HydrophobicContact CB-CE2 4.48Å; I86-Y95 HydrophobicContact CD1-CD2 4.33Å; I86-Y95 HydrophobicContact CD1-CE1 4.5Å; I86-Y95 HydrophobicContact CD1-CE2 4.18Å; I86-Y95 HydrophobicContact CG1-CD2 4.3Å; I86-Y95 WeakPolarHBondContact O-CD2 3.49Å; S93-Y95 PolarHBondContact O-N 2.92Å; S93-Y95 VanDerWaalsContact O-N 3.16Å; S93-Y95 PolarHBondContact OG-N 2.9Å; Y95-A97 VanDerWaalsContact C-N 3.28Å; Y95-A97 PolarHBondContact O-N 2.73Å; Y95-L98 WeakPolarHBondContact O-CB 3.41Å; Y95-L98 PolarHBondContact O-N 3.25Å; Y95-L98 VanDerWaalsContact O-N 3.14Å; Y95-Y148 AromaticContact CD1-CD2 3.85Å; Y95-Y148 HydrophobicContact CD1-CD2 3.85Å; Y95-Y148 AromaticContact CD1-CE2 3.79Å; Y95-Y148 HydrophobicContact CD1-CE2 3.79Å; Y95-Y148 HydrophobicContact CE1-CD2 4.44Å; Y95-Y148 HydrophobicContact CE1-CE2 4.07Å |
| 96 | Y | 97.5 | Very high | 94.9 | Very high | 93 Ų | 93 | 44.6 Ų | 44.6 | 37% | 0.365 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -54.8 | -42.2 | -173.8 | 176.9 | -108.4 | 0 | 0 | 0 | 113.2 | N90 S93 L98 R99 | N90-Y96 WeakPolarHBondContact O-CB 3.4Å; N90-Y96 WeakPolarHBondContact O-CD2 3.34Å; S93-Y96 WeakPolarHBondContact O-CB 3.48Å; S93-Y96 PolarHBondContact O-N 3.27Å; Y96-L98 PolarHBondContact O-N 2.85Å; Y96-R99 VanDerWaalsContact O-CB 3.25Å; Y96-R99 WeakPolarHBondContact O-CB 3.46Å; Y96-R99 WeakPolarHBondContact O-CG 3.23Å; Y96-R99 PolarHBondContact O-N 3.01Å; Y96-R99 VanDerWaalsContact O-N 3.11Å |
| 97 | A | 97.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 43.2 Ų | 43.2 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -61.5 | -32.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y95 R99 D100 F141 Y148 | Y95-A97 VanDerWaalsContact C-N 3.28Å; Y95-A97 PolarHBondContact O-N 2.73Å; A97-R99 PolarHBondContact O-N 3.43Å; A97-R99 VanDerWaalsContact O-N 3.13Å; A97-D100 PolarHBondContact O-N 2.89Å; A97-F141 HydrophobicContact CB-CD1 4.09Å; A97-F141 HydrophobicContact CB-CE1 3.81Å; A97-F141 VanDerWaalsContact O-CZ 3.31Å; A97-F141 WeakPolarHBondContact O-CZ 3.37Å; A97-Y148 WeakPolarHBondContact CB-O 3.25Å |
| 98 | L | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -62.3 | -22.3 | 179.2 | -60.8 | 177.7 | 0 | 0 | 0 | 112.5 | V54 N71 V73 Y95 Y96 D100 I121 F123 F141 Y148 | V54-L98 HydrophobicContact CG1-CD1 3.88Å; N71-L98 VanDerWaalsContact CB-O 3.32Å; N71-L98 WeakPolarHBondContact CB-O 3.38Å; N71-L98 PolarHBondContact ND2-O 2.85Å; V73-L98 HydrophobicContact CG2-CB 4.42Å; V73-L98 HydrophobicContact CG2-CD1 3.86Å; Y95-L98 WeakPolarHBondContact O-CB 3.41Å; Y95-L98 PolarHBondContact O-N 3.25Å; Y95-L98 VanDerWaalsContact O-N 3.14Å; Y96-L98 PolarHBondContact O-N 2.85Å; L98-D100 PolarHBondContact O-N 3.16Å; L98-I121 HydrophobicContact CD1-CD1 4.08Å; L98-I121 HydrophobicContact CD2-CB 4.47Å; L98-I121 HydrophobicContact CD2-CD1 4.08Å; L98-F123 HydrophobicContact CD2-CE2 4.26Å; L98-F141 HydrophobicContact CD2-CB 3.58Å; L98-F141 HydrophobicContact CD2-CD1 4.35Å; L98-F141 HydrophobicContact CD2-CD2 3.74Å; L98-F141 HydrophobicContact CD2-CE2 4.48Å; L98-F141 HydrophobicContact CD2-CG 3.64Å; L98-Y148 HydrophobicContact CD1-CD1 4.46Å; L98-Y148 HydrophobicContact CD1-CD2 3.66Å; L98-Y148 HydrophobicContact CD1-CE2 3.87Å; L98-Y148 HydrophobicContact CD1-CG 3.98Å; L98-Y148 HydrophobicContact CD2-CD1 3.91Å; L98-Y148 HydrophobicContact CD2-CD2 4.41Å; L98-Y148 HydrophobicContact CD2-CE1 4.48Å; L98-Y148 HydrophobicContact CD2-CG 3.86Å; L98-Y148 HydrophobicContact CG-CD1 4.43Å; L98-Y148 HydrophobicContact CG-CD2 4.04Å; L98-Y148 HydrophobicContact CG-CG 3.9Å |
| 99 | R | 97.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -60.2 | -31.9 | 177.9 | -66.4 | -69.8 | -83.6 | 175.3 | -10.9 | 113.5 | P70 N71 N85 A87 D89 Y96 A97 R101 | P70-R99 WeakPolarHBondContact CA-O 3.21Å; P70-R99 HydrophobicContact CB-CB 4.41Å; N71-R99 PolarHBondContact N-O 3.39Å; N71-R99 VanDerWaalsContact N-O 3.11Å; N71-R99 WeakPolarHBondContact O-CD 3.47Å; N71-R99 PolarHBondContact O-NH1 2.88Å; N85-R99 PolarHBondContact ND2-NH1 3.29Å; A87-R99 HydrophobicContact CB-CG 4.32Å; A87-R99 WeakPolarHBondContact O-CD 3.28Å; D89-R99 IonicContact OD1-CZ 2.91Å; D89-R99 IonicContact OD1-NE 2.88Å; D89-R99 PolarHBondContact OD1-NE 3.49Å; D89-R99 IonicContact OD1-NH2 2.69Å; D89-R99 IonicContact OD2-CZ 3.33Å; D89-R99 IonicContact OD2-NE 3.83Å; D89-R99 PolarHBondContact OD2-NE 2.84Å; D89-R99 IonicContact OD2-NH2 3.2Å; D89-R99 PolarHBondContact OD2-NH2 2.75Å; Y96-R99 VanDerWaalsContact O-CB 3.25Å; Y96-R99 WeakPolarHBondContact O-CB 3.46Å; Y96-R99 WeakPolarHBondContact O-CG 3.23Å; Y96-R99 PolarHBondContact O-N 3.01Å; Y96-R99 VanDerWaalsContact O-N 3.11Å; A97-R99 PolarHBondContact O-N 3.43Å; A97-R99 VanDerWaalsContact O-N 3.13Å; R99-R101 VanDerWaalsContact C-N 3.27Å; R99-R101 PolarHBondContact O-N 3.34Å |
| 100 | D | 96.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | trans | 29.3 | 58.1 | 179.9 | -169.7 | 26.7 | 0 | 0 | 0 | 114 | A97 L98 A102 G103 N125 Y136 K139 F141 | A97-D100 PolarHBondContact O-N 2.89Å; L98-D100 PolarHBondContact O-N 3.16Å; D100-A102 PolarHBondContact O-N 3.19Å; D100-G103 WeakPolarHBondContact O-CA 3.18Å; D100-G103 PolarHBondContact O-N 2.74Å; D100-N125 PolarHBondContact OD2-ND2 2.93Å; D100-N125 VanDerWaalsContact OD2-ND2 3.16Å; D100-Y136 PolarHBondContact OD1-OH 2.76Å; D100-K139 WeakPolarHBondContact OD2-CG 3.14Å; D100-F141 HydrophobicContact CB-CZ 4.31Å | ||
| 101 | R | 92 | Very high | 95.8 | Very high | 142 Ų | 142 | 32.5 Ų | 32.5 | 54% | 0.536 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.2 | -172.6 | -78.6 | -179.8 | 166.4 | -81.3 | 4.7 | 114.8 | P70 D89 R99 | P70-R101 HydrophobicContact CB-CG 3.95Å; D89-R101 VanDerWaalsContact CG-NE 3.33Å; D89-R101 VanDerWaalsContact CG-NH2 3.26Å; D89-R101 IonicContact OD1-CZ 3.87Å; D89-R101 IonicContact OD1-NE 2.99Å; D89-R101 PolarHBondContact OD1-NE 3.47Å; D89-R101 IonicContact OD1-NH2 3.62Å; D89-R101 PolarHBondContact OD1-NH2 2.84Å; D89-R101 IonicContact OD2-CZ 3.32Å; D89-R101 IonicContact OD2-NE 3.48Å; D89-R101 IonicContact OD2-NH2 3Å; D89-R101 PolarHBondContact OD2-NH2 2.7Å; R99-R101 VanDerWaalsContact C-N 3.27Å; R99-R101 PolarHBondContact O-N 3.34Å |
| 102 | A | 90.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 29 Ų | 29 | 51% | 0.512 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -21.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D100 N127 Y136 | D100-A102 PolarHBondContact O-N 3.19Å; A102-N127 PolarHBondContact O-ND2 3.1Å; A102-N127 VanDerWaalsContact O-ND2 3.12Å; A102-Y136 HydrophobicContact CB-CE2 3.92Å |
| 103 | G | 89.5 | Confident | 96.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | trans | -64.8 | 153.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D100 N125 | D100-G103 WeakPolarHBondContact O-CA 3.18Å; D100-G103 PolarHBondContact O-N 2.74Å; G103-N125 VanDerWaalsContact CA-OD1 3.26Å; G103-N125 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 104 | N | 92.9 | Very high | 96.5 | Very high | 14 Ų | 14 | 21.7 Ų | 21.7 | 8% | 0.075 | 11% | 0.11 | C | C | . | . | trans | -126 | 71 | 168.8 | -75.8 | -67.1 | 0 | 0 | 0 | 106.2 | Y67 N68 N125 T126 N127 | Y67-N104 HydrophobicContact CD2-CB 3.71Å; Y67-N104 HydrophobicContact CE2-CB 3.74Å; Y67-N104 HydrophobicContact CG-CB 4.26Å; N68-N104 WeakPolarHBondContact CA-OD1 3.38Å; N68-N104 PolarHBondContact N-OD1 3.46Å; N68-N104 PolarHBondContact OD1-OD1 3.19Å; N68-N104 VanDerWaalsContact OD1-OD1 3.11Å; N104-N125 VanDerWaalsContact C-OD1 3.31Å; N104-N125 PolarHBondContact N-OD1 2.94Å; N104-T126 PolarHBondContact O-N 2.99Å; N104-T126 VanDerWaalsContact O-N 3.12Å; N104-T126 PolarHBondContact O-OG1 3.5Å; N104-N127 PolarHBondContact N-OD1 3.01Å; N104-N127 PolarHBondContact ND2-ND2 3.41Å; N104-N127 VanDerWaalsContact ND2-ND2 3.17Å | ||
| 105 | A | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 139.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | A65 G66 N71 F123 L124 N125 | A65-A105 HydrophobicContact CB-CB 3.89Å; G66-A105 CarbonylContact C-O 3.5Å; G66-A105 VanDerWaalsContact C-O 3.31Å; G66-A105 PolarHBondContact O-N 3.1Å; N71-A105 WeakPolarHBondContact OD1-CB 3.48Å; A105-F123 HydrophobicContact CB-CB 4.31Å; A105-F123 HydrophobicContact CB-CD1 3.95Å; A105-L124 CarbonylContact C-O 3.43Å; A105-L124 VanDerWaalsContact CA-O 3.23Å; A105-L124 WeakPolarHBondContact CA-O 3.49Å; A105-N125 WeakPolarHBondContact CA-OD1 3.3Å; A105-N125 PolarHBondContact N-OD1 2.81Å; A105-N125 VanDerWaalsContact N-OD1 3.11Å |
| 106 | I | 96.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.036 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -21.8 | 171.6 | 63.1 | 161.7 | 0 | 0 | 0 | 112.7 | Y47 G48 Y67 L124 T126 L472 | Y47-I106 WeakPolarHBondContact CB-O 3.46Å; Y47-I106 HydrophobicContact CD1-CB 3.92Å; Y47-I106 HydrophobicContact CD1-CG2 3.94Å; Y47-I106 HydrophobicContact CD2-CG2 4.01Å; Y47-I106 HydrophobicContact CE1-CB 4.39Å; Y47-I106 HydrophobicContact CE1-CG2 3.99Å; Y47-I106 HydrophobicContact CE2-CG2 4.07Å; Y47-I106 HydrophobicContact CG-CB 3.97Å; Y47-I106 HydrophobicContact CG-CG2 3.93Å; G48-I106 PolarHBondContact N-O 2.95Å; Y67-I106 HydrophobicContact CD2-CG2 3.68Å; Y67-I106 HydrophobicContact CE2-CG2 4.36Å; I106-L124 HydrophobicContact CD1-CD2 4.05Å; I106-L124 HydrophobicContact CG1-CD2 3.57Å; I106-L124 PolarHBondContact N-O 3.21Å; I106-T126 HydrophobicContact CD1-CG2 3.59Å; I106-T126 HydrophobicContact CG1-CG2 3.67Å; I106-L472 HydrophobicContact CB-CD1 4.3Å; I106-L472 HydrophobicContact CB-CD2 4.3Å; I106-L472 HydrophobicContact CD1-CD1 4.36Å; I106-L472 HydrophobicContact CD1-CD2 3.75Å; I106-L472 HydrophobicContact CG1-CD2 3.8Å; I106-L472 VanDerWaalsContact O-CB 3.3Å; I106-L472 WeakPolarHBondContact O-CB 3.48Å; I106-L472 WeakPolarHBondContact O-CD1 3.33Å |
| 107 | G | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 154.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L124 | G107-L124 PolarHBondContact O-N 2.76Å |
| 108 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 144.7 | -179.1 | 57.2 | 0 | 0 | 0 | 0 | 110 | A50 V63 A65 I121 Y122 F123 L472 | A50-V108 HydrophobicContact CB-CB 4.36Å; A50-V108 HydrophobicContact CB-CG1 3.81Å; A50-V108 HydrophobicContact CB-CG2 3.95Å; V63-V108 HydrophobicContact CB-CG2 4.26Å; V63-V108 HydrophobicContact CG1-CG2 3.82Å; A65-V108 HydrophobicContact CB-CG1 4.49Å; V108-I121 HydrophobicContact CG2-CG2 3.87Å; V108-Y122 VanDerWaalsContact CA-O 3.27Å; V108-Y122 WeakPolarHBondContact CA-O 3.33Å; V108-F123 HydrophobicContact CB-CD1 4.12Å; V108-F123 HydrophobicContact CB-CE1 4.14Å; V108-F123 HydrophobicContact CG2-CD1 4.12Å; V108-F123 HydrophobicContact CG2-CE1 3.88Å; V108-F123 HydrophobicContact CG2-CZ 4.25Å; V108-L472 PolarHBondContact N-O 2.85Å |
| 109 | T | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 158.1 | 169.8 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | Y122 V171 C173 I184 E474 | T109-Y122 PolarHBondContact N-O 3.04Å; T109-Y122 PolarHBondContact O-N 2.87Å; T109-V171 HydrophobicContact CG2-CB 4.29Å; T109-V171 HydrophobicContact CG2-CG1 3.92Å; T109-V171 HydrophobicContact CG2-CG2 3.53Å; T109-C173 PolarHBondContact OG1-SG 3.45Å; T109-I184 HydrophobicContact CG2-CG2 4.38Å; T109-E474 WeakPolarHBondContact CA-OE2 3.36Å; T109-E474 WeakPolarHBondContact CB-OE2 3.15Å; T109-E474 PolarHBondContact OG1-OE1 2.8Å; T109-E474 VanDerWaalsContact OG1-OE1 3.1Å; T109-E474 PolarHBondContact OG1-OE2 2.83Å |
| 110 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T52 E119 E120 I121 R447 E474 | T52-A110 HydrophobicContact CG2-CB 3.59Å; A110-E119 HydrophobicContact CB-CB 4.12Å; A110-E120 CarbonylContact C-O 3.54Å; A110-E120 WeakPolarHBondContact CA-O 3.25Å; A110-I121 HydrophobicContact CB-CG1 4.29Å; A110-R447 PolarHBondContact O-NE 2.94Å; A110-R447 PolarHBondContact O-NH2 2.9Å; A110-E474 PolarHBondContact N-OE2 2.68Å |
| 111 | C | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 158.8 | 173.4 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | V113 E120 C173 Y182 | C111-V113 PolarHBondContact O-N 2.93Å; C111-V113 VanDerWaalsContact O-N 3.07Å; C111-E120 PolarHBondContact N-O 3.37Å; C111-E120 PolarHBondContact O-N 3.46Å; C111-C173 HydrophobicContact CB-CB 3.45Å; C111-C173 VanDerWaalsContact CB-CB 3.45Å; C111-C173 WeakPolarHBondContact CB-SG 3.26Å; C111-C173 WeakPolarHBondContact SG-CB 3.15Å; C111-C173 CovalentContact SG-SG 2.02Å; C111-C173 PolarHBondContact SG-SG 3.34Å; C111-Y182 HydrophobicContact CB-CD1 4.18Å; C111-Y182 HydrophobicContact CB-CD2 3.68Å; C111-Y182 HydrophobicContact CB-CE2 4.41Å; C111-Y182 HydrophobicContact CB-CG 3.54Å; C111-Y182 WeakPolarHBondContact SG-CB 3.36Å |
| 112 | D | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -77.9 | 85.9 | -179.8 | -176.6 | 8.7 | 0 | 0 | 0 | 111.1 | G115 D116 G117 R181 Y182 A444 | D112-G115 VanDerWaalsContact CG-CA 3.46Å; D112-G115 WeakPolarHBondContact OD1-CA 3.33Å; D112-G115 PolarHBondContact OD1-N 2.78Å; D112-G115 WeakPolarHBondContact OD2-CA 3.31Å; D112-D116 PolarHBondContact OD1-N 3.43Å; D112-D116 PolarHBondContact OD2-N 2.81Å; D112-G117 WeakPolarHBondContact OD2-CA 3.44Å; D112-G117 PolarHBondContact OD2-N 3.43Å; D112-R181 WeakPolarHBondContact O-CA 3.43Å; D112-Y182 HydrophobicContact CB-CD2 4.27Å; D112-Y182 HydrophobicContact CB-CE2 4.45Å; D112-Y182 WeakPolarHBondContact O-CD2 3.3Å; D112-Y182 PolarHBondContact O-N 3.23Å; D112-Y182 VanDerWaalsContact O-N 3.1Å; D112-A444 HydrophobicContact CB-CB 3.35Å; D112-A444 VanDerWaalsContact OD2-CB 3.26Å; D112-A444 WeakPolarHBondContact OD2-CB 3.05Å | ||
| 113 | V | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.012 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -72.1 | -37.1 | -174.5 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | C111 E120 I184 M202 L216 | C111-V113 PolarHBondContact O-N 2.93Å; C111-V113 VanDerWaalsContact O-N 3.07Å; V113-E120 WeakPolarHBondContact CB-OE2 3.42Å; V113-E120 HydrophobicContact CG2-CB 4.36Å; V113-E120 PolarHBondContact N-OE2 2.95Å; V113-I184 HydrophobicContact CG2-CD1 3.79Å; V113-I184 HydrophobicContact CG2-CG1 4.14Å; V113-M202 HydrophobicContact CG1-CB 4.3Å; V113-L216 HydrophobicContact CG1-CD2 4.13Å |
| 114 | D | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -104.5 | 13.2 | -176.9 | 77.4 | -4.6 | 0 | 0 | 0 | 115.1 | D116 E120 K142 R181 M202 I214 | D114-D116 VanDerWaalsContact C-N 3.31Å; D114-D116 PolarHBondContact O-N 2.78Å; D114-E120 PolarHBondContact N-OE2 2.77Å; D114-K142 IonicContact OD1-NZ 2.98Å; D114-K142 PolarHBondContact OD1-NZ 3.02Å; D114-K142 WeakPolarHBondContact OD2-CD 3.38Å; D114-K142 WeakPolarHBondContact OD2-CE 3.27Å; D114-K142 IonicContact OD2-NZ 2.71Å; D114-K142 PolarHBondContact OD2-NZ 2.92Å; D114-R181 PolarHBondContact O-NH1 2.8Å; D114-R181 PolarHBondContact O-NH2 2.9Å; D114-R181 VanDerWaalsContact O-NH2 3.08Å; D114-M202 HydrophobicContact CB-SD 3.66Å; D114-I214 HydrophobicContact CB-CD1 3.74Å; D114-I214 HydrophobicContact CB-CG1 4.26Å; D114-I214 HydrophobicContact CB-CG2 4.27Å; D114-I214 WeakPolarHBondContact OD2-CD1 3.35Å; D114-I214 WeakPolarHBondContact OD2-CG1 3.36Å |
| 115 | G | 97 | Very high | 97.6 | Very high | 7 Ų | 7 | 8.6 Ų | 8.6 | 7% | 0.072 | 5% | 0.049 | C | C | . | . | S | Bend | trans | 56.7 | 43.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D112 R181 F442 | D112-G115 VanDerWaalsContact CG-CA 3.46Å; D112-G115 WeakPolarHBondContact OD1-CA 3.33Å; D112-G115 PolarHBondContact OD1-N 2.78Å; D112-G115 WeakPolarHBondContact OD2-CA 3.31Å; G115-R181 PolarHBondContact O-NH2 3.31Å; G115-F442 WeakPolarHBondContact O-CD1 3.3Å; G115-F442 VanDerWaalsContact O-CG 3.25Å; G115-F442 WeakPolarHBondContact O-CG 3.22Å |
| 116 | D | 95.8 | Very high | 97.2 | Very high | 73 Ų | 73 | 8.8 Ų | 8.8 | 39% | 0.39 | 5% | 0.05 | S | C | . | . | S | Bend | trans | -103.8 | -1 | 176.7 | 85.8 | -9 | 0 | 0 | 0 | 113.3 | D112 D114 R118 K142 | D112-D116 PolarHBondContact OD1-N 3.43Å; D112-D116 PolarHBondContact OD2-N 2.81Å; D114-D116 VanDerWaalsContact C-N 3.31Å; D114-D116 PolarHBondContact O-N 2.78Å; D116-R118 WeakPolarHBondContact OD1-CB 3.41Å; D116-R118 PolarHBondContact OD1-N 3.5Å; D116-K142 IonicContact OD1-NZ 3.35Å; D116-K142 WeakPolarHBondContact OD2-CE 3.48Å; D116-K142 IonicContact OD2-NZ 3.63Å; D116-K142 PolarHBondContact OD2-NZ 2.64Å |
| 117 | G | 95.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 9.3 Ų | 9.3 | 25% | 0.247 | 5% | 0.053 | C | C | . | . | S | Bend | trans | 93.3 | -5.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D112 F442 | D112-G117 WeakPolarHBondContact OD2-CA 3.44Å; D112-G117 PolarHBondContact OD2-N 3.43Å; G117-F442 WeakPolarHBondContact CA-O 3.27Å |
| 118 | R | 96.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 14.7 Ų | 14.7 | 21% | 0.208 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -115.7 | 136.8 | 176.1 | -170.6 | 171.1 | -173.9 | 156.9 | 7.2 | 110.4 | V54 D55 D116 F143 | V54-R118 PolarHBondContact O-NH2 2.91Å; D55-R118 PolarHBondContact O-NH2 2.83Å; D116-R118 WeakPolarHBondContact OD1-CB 3.41Å; D116-R118 PolarHBondContact OD1-N 3.5Å; R118-F143 VanDerWaalsContact CZ-CB 3.5Å |
| 119 | E | 98.4 | Very high | 95 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 3% | 0.033 | 9% | 0.089 | C | C | . | . | trans | -74.6 | 131.4 | 179.6 | -62.7 | -163.4 | 135.2 | 0 | 0 | 111.4 | T52 A110 F445 R447 | T52-E119 VanDerWaalsContact CB-OE2 3.26Å; T52-E119 WeakPolarHBondContact CB-OE2 3.45Å; T52-E119 PolarHBondContact OG1-OE2 2.9Å; A110-E119 HydrophobicContact CB-CB 4.12Å; E119-F445 HydrophobicContact CG-CD2 4.26Å; E119-R447 IonicContact OE1-CZ 2.69Å; E119-R447 IonicContact OE1-NE 3.85Å; E119-R447 PolarHBondContact OE1-NE 3.11Å; E119-R447 IonicContact OE1-NH2 3.64Å; E119-R447 PolarHBondContact OE1-NH2 3.18Å; E119-R447 IonicContact OE2-CZ 3Å; E119-R447 IonicContact OE2-NE 3.15Å; E119-R447 IonicContact OE2-NH2 2.8Å; E119-R447 PolarHBondContact OE2-NH2 2.8Å | ||
| 120 | E | 98.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 147.9 | 161.4 | -78.9 | 70.6 | -128 | 0 | 0 | 110.5 | A110 C111 V113 D114 L140 F141 K142 L151 | A110-E120 CarbonylContact C-O 3.54Å; A110-E120 WeakPolarHBondContact CA-O 3.25Å; C111-E120 PolarHBondContact N-O 3.37Å; C111-E120 PolarHBondContact O-N 3.46Å; V113-E120 WeakPolarHBondContact CB-OE2 3.42Å; V113-E120 HydrophobicContact CG2-CB 4.36Å; V113-E120 PolarHBondContact N-OE2 2.95Å; D114-E120 PolarHBondContact N-OE2 2.77Å; E120-L140 HydrophobicContact CB-CD1 3.57Å; E120-L140 HydrophobicContact CB-CG 4.27Å; E120-L140 HydrophobicContact CG-CD1 4.31Å; E120-F141 CarbonylContact C-O 3.52Å; E120-F141 VanDerWaalsContact CA-O 3.28Å; E120-F141 WeakPolarHBondContact CA-O 3.47Å; E120-F141 WeakPolarHBondContact CB-O 3.49Å; E120-K142 HydrophobicContact CG-CB 3.82Å; E120-K142 HydrophobicContact CG-CG 4.3Å; E120-K142 WeakPolarHBondContact OE1-CG 3.31Å; E120-K142 IonicContact OE1-NZ 3.58Å; E120-K142 PolarHBondContact OE1-NZ 2.91Å; E120-L151 HydrophobicContact CG-CD1 4.15Å |
| 121 | I | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.7 | -179.3 | -55.9 | 169.9 | 0 | 0 | 0 | 109.8 | V54 V63 L98 V108 A110 F123 F141 Y148 | V54-I121 HydrophobicContact CG1-CD1 4.07Å; V54-I121 HydrophobicContact CG2-CD1 3.94Å; V63-I121 HydrophobicContact CG1-CG2 4.2Å; V63-I121 HydrophobicContact CG2-CD1 4.28Å; L98-I121 HydrophobicContact CD1-CD1 4.08Å; L98-I121 HydrophobicContact CD2-CB 4.47Å; L98-I121 HydrophobicContact CD2-CD1 4.08Å; V108-I121 HydrophobicContact CG2-CG2 3.87Å; A110-I121 HydrophobicContact CB-CG1 4.29Å; I121-F123 HydrophobicContact CG2-CD2 4.12Å; I121-F123 HydrophobicContact CG2-CE2 3.62Å; I121-F123 HydrophobicContact CG2-CZ 4.09Å; I121-F141 PolarHBondContact N-O 2.61Å; I121-F141 PolarHBondContact O-N 3.3Å; I121-Y148 HydrophobicContact CD1-CE1 4.03Å; I121-Y148 HydrophobicContact CG1-CE1 4.46Å |
| 122 | Y | 98.8 | Very high | 93 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.3 | 176.8 | -170 | -90.4 | 0 | 0 | 0 | 111.5 | V108 T109 L124 D138 K139 L140 L152 V171 I184 V186 L200 | V108-Y122 VanDerWaalsContact CA-O 3.27Å; V108-Y122 WeakPolarHBondContact CA-O 3.33Å; T109-Y122 PolarHBondContact N-O 3.04Å; T109-Y122 PolarHBondContact O-N 2.87Å; Y122-L124 HydrophobicContact CE1-CB 4.27Å; Y122-D138 HydrophobicContact CE1-CB 3.83Å; Y122-D138 HydrophobicContact CE2-CB 4.05Å; Y122-D138 WeakPolarHBondContact OH-CB 3.44Å; Y122-D138 PolarHBondContact OH-OD2 3.01Å; Y122-K139 CarbonylContact C-O 3.55Å; Y122-K139 VanDerWaalsContact CA-O 3.29Å; Y122-K139 WeakPolarHBondContact CA-O 3.42Å; Y122-K139 WeakPolarHBondContact CD2-O 3.26Å; Y122-L140 HydrophobicContact CD2-CB 4.01Å; Y122-L140 HydrophobicContact CD2-CD1 4.07Å; Y122-L152 HydrophobicContact CE2-CD1 4.11Å; Y122-V171 HydrophobicContact CD1-CB 4.48Å; Y122-V171 HydrophobicContact CD1-CG2 3.69Å; Y122-V171 HydrophobicContact CE1-CG2 3.96Å; Y122-V171 HydrophobicContact CG-CG2 4.48Å; Y122-I184 HydrophobicContact CD1-CG2 4.08Å; Y122-I184 HydrophobicContact CD2-CD1 3.67Å; Y122-I184 HydrophobicContact CD2-CG2 3.99Å; Y122-I184 HydrophobicContact CE1-CG2 4.25Å; Y122-I184 HydrophobicContact CE2-CD1 4.43Å; Y122-I184 HydrophobicContact CE2-CG2 4.17Å; Y122-I184 HydrophobicContact CG-CD1 4.08Å; Y122-I184 HydrophobicContact CG-CG2 3.89Å; Y122-V186 HydrophobicContact CE1-CG2 4.06Å; Y122-V186 WeakPolarHBondContact OH-CG2 3.41Å; Y122-L200 HydrophobicContact CE2-CD1 3.81Å |
| 123 | F | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 122.8 | 169.5 | -72.7 | -84.1 | 0 | 0 | 0 | 110.8 | V63 N71 L98 A105 V108 I121 D138 K139 F141 | V63-F123 HydrophobicContact CG1-CE1 3.89Å; V63-F123 HydrophobicContact CG1-CE2 4.38Å; V63-F123 HydrophobicContact CG1-CZ 3.42Å; V63-F123 VanDerWaalsContact CG1-CZ 3.42Å; N71-F123 HydrophobicContact CB-CE1 3.7Å; N71-F123 HydrophobicContact CB-CZ 3.78Å; N71-F123 WeakPolarHBondContact ND2-CE1 3.46Å; L98-F123 HydrophobicContact CD2-CE2 4.26Å; A105-F123 HydrophobicContact CB-CB 4.31Å; A105-F123 HydrophobicContact CB-CD1 3.95Å; V108-F123 HydrophobicContact CB-CD1 4.12Å; V108-F123 HydrophobicContact CB-CE1 4.14Å; V108-F123 HydrophobicContact CG2-CD1 4.12Å; V108-F123 HydrophobicContact CG2-CE1 3.88Å; V108-F123 HydrophobicContact CG2-CZ 4.25Å; I121-F123 HydrophobicContact CG2-CD2 4.12Å; I121-F123 HydrophobicContact CG2-CE2 3.62Å; I121-F123 HydrophobicContact CG2-CZ 4.09Å; F123-D138 WeakPolarHBondContact O-CA 3.12Å; F123-D138 WeakPolarHBondContact O-CB 3.42Å; F123-K139 HydrophobicContact CB-CB 4.45Å; F123-K139 PolarHBondContact N-O 2.87Å; F123-K139 PolarHBondContact O-N 2.93Å; F123-F141 AromaticContact CD2-CD2 3.76Å; F123-F141 HydrophobicContact CD2-CD2 3.76Å; F123-F141 AromaticContact CD2-CE2 3.67Å; F123-F141 HydrophobicContact CD2-CE2 3.67Å; F123-F141 HydrophobicContact CE2-CD2 4.07Å; F123-F141 HydrophobicContact CE2-CE2 4.15Å |
| 124 | L | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 111 | 171.9 | -171.5 | 157.6 | 0 | 0 | 0 | 108.9 | A105 I106 G107 Y122 T126 D138 G168 S170 V171 V186 | A105-L124 CarbonylContact C-O 3.43Å; A105-L124 VanDerWaalsContact CA-O 3.23Å; A105-L124 WeakPolarHBondContact CA-O 3.49Å; I106-L124 HydrophobicContact CD1-CD2 4.05Å; I106-L124 HydrophobicContact CG1-CD2 3.57Å; I106-L124 PolarHBondContact N-O 3.21Å; G107-L124 PolarHBondContact O-N 2.76Å; Y122-L124 HydrophobicContact CE1-CB 4.27Å; L124-T126 HydrophobicContact CD2-CG2 3.79Å; L124-D138 WeakPolarHBondContact CA-OD1 3.3Å; L124-G168 VanDerWaalsContact CD2-O 3.28Å; L124-G168 WeakPolarHBondContact CD2-O 3.39Å; L124-S170 WeakPolarHBondContact CD1-O 3.34Å; L124-V171 HydrophobicContact CD1-CB 4.07Å; L124-V186 HydrophobicContact CD1-CG1 3.91Å |
| 125 | N | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 144.9 | 179.7 | -79.7 | -53.3 | 0 | 0 | 0 | 111.4 | D100 G103 N104 A105 Y136 S137 D138 | D100-N125 PolarHBondContact OD2-ND2 2.93Å; D100-N125 VanDerWaalsContact OD2-ND2 3.16Å; G103-N125 VanDerWaalsContact CA-OD1 3.26Å; G103-N125 WeakPolarHBondContact CA-OD1 3.5Å; N104-N125 VanDerWaalsContact C-OD1 3.31Å; N104-N125 PolarHBondContact N-OD1 2.94Å; A105-N125 WeakPolarHBondContact CA-OD1 3.3Å; A105-N125 PolarHBondContact N-OD1 2.81Å; A105-N125 VanDerWaalsContact N-OD1 3.11Å; N125-Y136 HydrophobicContact CB-CD1 3.97Å; N125-S137 PolarHBondContact ND2-O 2.84Å; N125-D138 PolarHBondContact N-OD1 2.81Å; N125-D138 VanDerWaalsContact O-OD1 3.1Å |
| 126 | T | 87.8 | Confident | 91 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | trans | -126.8 | -27.4 | -178 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | N104 I106 L124 N128 A129 G168 | N104-T126 PolarHBondContact O-N 2.99Å; N104-T126 VanDerWaalsContact O-N 3.12Å; N104-T126 PolarHBondContact O-OG1 3.5Å; I106-T126 HydrophobicContact CD1-CG2 3.59Å; I106-T126 HydrophobicContact CG1-CG2 3.67Å; L124-T126 HydrophobicContact CD2-CG2 3.79Å; T126-N128 VanDerWaalsContact C-N 3.33Å; T126-N128 PolarHBondContact O-N 2.88Å; T126-A129 VanDerWaalsContact O-CB 3.25Å; T126-A129 WeakPolarHBondContact O-CB 3.47Å; T126-A129 PolarHBondContact O-N 3.24Å; T126-G168 WeakPolarHBondContact CG2-O 3.33Å | ||
| 127 | N | 83 | Confident | 90.8 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 53.6 | 175.9 | -70.5 | 60 | 0 | 0 | 0 | 113.6 | A102 N104 A129 Y136 | A102-N127 PolarHBondContact O-ND2 3.1Å; A102-N127 VanDerWaalsContact O-ND2 3.12Å; N104-N127 PolarHBondContact N-OD1 3.01Å; N104-N127 PolarHBondContact ND2-ND2 3.41Å; N104-N127 VanDerWaalsContact ND2-ND2 3.17Å; N127-A129 PolarHBondContact O-N 3.45Å; N127-Y136 WeakPolarHBondContact ND2-CB 3.33Å; N127-Y136 VanDerWaalsContact OD1-CB 3.29Å; N127-Y136 WeakPolarHBondContact OD1-CB 3.49Å |
| 128 | N | 81.4 | Confident | 90.9 | Very high | 113 Ų | 113 | 36.8 Ų | 36.8 | 60% | 0.604 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 4.2 | -179.3 | -51.1 | -75.9 | 0 | 0 | 0 | 115.9 | Y67 T126 Y130 | Y67-N128 VanDerWaalsContact OH-CA 3.23Å; Y67-N128 WeakPolarHBondContact OH-CA 3.34Å; Y67-N128 PolarHBondContact OH-N 2.75Å; Y67-N128 PolarHBondContact OH-OD1 3.45Å; T126-N128 VanDerWaalsContact C-N 3.33Å; T126-N128 PolarHBondContact O-N 2.88Å; N128-Y130 PolarHBondContact O-N 3.4Å |
| 129 | A | 82.1 | Confident | 90.9 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | trans | -77.9 | 121.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T126 N127 R133 A134 A167 R169 | T126-A129 VanDerWaalsContact O-CB 3.25Å; T126-A129 WeakPolarHBondContact O-CB 3.47Å; T126-A129 PolarHBondContact O-N 3.24Å; N127-A129 PolarHBondContact O-N 3.45Å; A129-R133 WeakPolarHBondContact CB-O 3.35Å; A129-A134 HydrophobicContact CB-CB 4.29Å; A129-A167 HydrophobicContact CB-CB 3.9Å; A129-R169 PolarHBondContact O-NH2 2.69Å | ||
| 130 | Y | 82 | Confident | 91 | Very high | 132 Ų | 132 | 35.3 Ų | 35.3 | 52% | 0.518 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -75.5 | -37.8 | 173.7 | -174.3 | -99.5 | 0 | 0 | 0 | 112.5 | N128 R169 Y189 R232 E252 | N128-Y130 PolarHBondContact O-N 3.4Å; Y130-R169 PolarHBondContact O-NH2 3.15Å; Y130-Y189 HydrophobicContact CD1-CE2 4.22Å; Y130-Y189 HydrophobicContact CE1-CD2 4.03Å; Y130-Y189 HydrophobicContact CE1-CE1 4.4Å; Y130-Y189 AromaticContact CE1-CE2 3.37Å; Y130-Y189 HydrophobicContact CE1-CE2 3.37Å; Y130-Y189 AromaticContact CE1-CZ 3.64Å; Y130-Y189 AromaticContact CZ-CE2 3.6Å; Y130-R232 PolarHBondContact OH-NH2 3.01Å; Y130-E252 PolarHBondContact OH-OE2 3Å |
| 131 | S | 85.3 | Confident | 91 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 22% | 0.217 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -155.1 | 160.7 | -177.8 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | Y189 | S131-Y189 CarbonylContact C-O 3.35Å; S131-Y189 WeakPolarHBondContact CA-O 3.42Å; S131-Y189 VanDerWaalsContact CB-CD1 3.45Å; S131-Y189 WeakPolarHBondContact CB-O 3.39Å |
| 132 | G | 86.7 | Confident | 90.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 76.4 | -134.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M166 A167 Y189 | G132-M166 CarbonylContact O-C 3.31Å; G132-M166 WeakPolarHBondContact O-CA 3.38Å; G132-A167 PolarHBondContact O-N 3.33Å; G132-Y189 PolarHBondContact N-O 2.83Å |
| 133 | R | 88.9 | Confident | 90.9 | Very high | 165 Ų | 165 | 38 Ų | 38 | 62% | 0.623 | 19% | 0.187 | S | C | * | . | B | Isolated β-bridge | trans | -80.4 | 136.9 | -174.5 | -69.5 | -177.2 | 176.1 | -83.7 | 1 | 112.6 | A129 Q165 M166 V194 | A129-R133 WeakPolarHBondContact CB-O 3.35Å; R133-Q165 CarbonylContact C-O 3.6Å; R133-Q165 WeakPolarHBondContact CA-O 3.37Å; R133-M166 HydrophobicContact CG-SD 4.1Å; R133-V194 HydrophobicContact CG-CG1 3.96Å |
| 134 | A | 86 | Confident | 90.7 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | trans | -96.9 | 158.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A129 Q165 | A129-A134 HydrophobicContact CB-CB 4.29Å; A134-Q165 PolarHBondContact N-O 3.28Å | ||
| 135 | T | 85.4 | Confident | 90.6 | Very high | 130 Ų | 130 | 46.1 Ų | 46.1 | 80% | 0.798 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -95.7 | -7.3 | 179.8 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 136 | Y | 89.5 | Confident | 90.6 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -134.7 | 138.7 | 176 | -165.1 | -99.7 | 0 | 0 | 0 | 106.6 | D100 A102 N125 N127 K139 | D100-Y136 PolarHBondContact OD1-OH 2.76Å; A102-Y136 HydrophobicContact CB-CE2 3.92Å; N125-Y136 HydrophobicContact CB-CD1 3.97Å; N127-Y136 WeakPolarHBondContact ND2-CB 3.33Å; N127-Y136 VanDerWaalsContact OD1-CB 3.29Å; N127-Y136 WeakPolarHBondContact OD1-CB 3.49Å; Y136-K139 HydrophobicContact CE1-CG 4.39Å; Y136-K139 VanDerWaalsContact OH-CE 3.3Å; Y136-K139 WeakPolarHBondContact OH-CE 3.18Å |
| 137 | S | 92.3 | Very high | 91.1 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | trans | -82 | 161.3 | -179.3 | 66 | 0 | 0 | 0 | 0 | 111.3 | N125 N164 | N125-S137 PolarHBondContact ND2-O 2.84Å; S137-N164 WeakPolarHBondContact CA-O 3.34Å | ||
| 138 | D | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -59.3 | 163.1 | 163.7 | -62.3 | -17.4 | 0 | 0 | 0 | 110.9 | Y122 F123 L124 N125 L152 N164 | Y122-D138 HydrophobicContact CE1-CB 3.83Å; Y122-D138 HydrophobicContact CE2-CB 4.05Å; Y122-D138 WeakPolarHBondContact OH-CB 3.44Å; Y122-D138 PolarHBondContact OH-OD2 3.01Å; F123-D138 WeakPolarHBondContact O-CA 3.12Å; F123-D138 WeakPolarHBondContact O-CB 3.42Å; L124-D138 WeakPolarHBondContact CA-OD1 3.3Å; N125-D138 PolarHBondContact N-OD1 2.81Å; N125-D138 VanDerWaalsContact O-OD1 3.1Å; D138-L152 VanDerWaalsContact O-CD1 3.31Å; D138-L152 WeakPolarHBondContact O-CD1 3.21Å; D138-N164 HydrophobicContact CB-CB 4.43Å; D138-N164 PolarHBondContact N-O 3.1Å; D138-N164 VanDerWaalsContact N-O 3.15Å; D138-N164 VanDerWaalsContact OD2-CB 3.32Å; D138-N164 WeakPolarHBondContact OD2-CB 3.22Å; D138-N164 PolarHBondContact OD2-ND2 3Å | ||
| 139 | K | 97.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 49 Ų | 49 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.2 | -177.8 | -62.9 | -64.7 | -177 | -175 | 0 | 110.5 | D100 Y122 F123 Y136 F141 D150 | D100-K139 WeakPolarHBondContact OD2-CG 3.14Å; Y122-K139 CarbonylContact C-O 3.55Å; Y122-K139 VanDerWaalsContact CA-O 3.29Å; Y122-K139 WeakPolarHBondContact CA-O 3.42Å; Y122-K139 WeakPolarHBondContact CD2-O 3.26Å; F123-K139 HydrophobicContact CB-CB 4.45Å; F123-K139 PolarHBondContact N-O 2.87Å; F123-K139 PolarHBondContact O-N 2.93Å; Y136-K139 HydrophobicContact CE1-CG 4.39Å; Y136-K139 VanDerWaalsContact OH-CE 3.3Å; Y136-K139 WeakPolarHBondContact OH-CE 3.18Å; K139-F141 HydrophobicContact CB-CD2 4.11Å; K139-F141 HydrophobicContact CB-CE2 3.44Å; K139-F141 VanDerWaalsContact CB-CE2 3.44Å; K139-F141 HydrophobicContact CB-CZ 3.81Å; K139-F141 HydrophobicContact CD-CZ 4.45Å; K139-F141 HydrophobicContact CG-CE2 4.13Å; K139-F141 HydrophobicContact CG-CZ 4.08Å; K139-D150 HydrophobicContact CD-CB 4.49Å; K139-D150 WeakPolarHBondContact CD-OD2 3.11Å; K139-D150 WeakPolarHBondContact CE-OD2 3.04Å; K139-D150 IonicContact NZ-OD2 2.76Å; K139-D150 PolarHBondContact NZ-OD2 3.14Å |
| 140 | L | 98.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 108.5 | 173.1 | 179.8 | 58 | 0 | 0 | 0 | 108.4 | E120 Y122 D150 L151 L152 I184 L216 | E120-L140 HydrophobicContact CB-CD1 3.57Å; E120-L140 HydrophobicContact CB-CG 4.27Å; E120-L140 HydrophobicContact CG-CD1 4.31Å; Y122-L140 HydrophobicContact CD2-CB 4.01Å; Y122-L140 HydrophobicContact CD2-CD1 4.07Å; L140-D150 PolarHBondContact N-OD1 2.83Å; L140-D150 CarbonylContact O-C 3.58Å; L140-D150 WeakPolarHBondContact O-CA 3.29Å; L140-L151 HydrophobicContact CB-CB 4.46Å; L140-L151 HydrophobicContact CD2-CD1 4.11Å; L140-L151 HydrophobicContact CG-CB 4.44Å; L140-L151 HydrophobicContact CG-CD1 4.23Å; L140-L151 WeakPolarHBondContact O-CB 3.35Å; L140-L151 PolarHBondContact O-N 3.44Å; L140-L152 HydrophobicContact CB-CD1 4.08Å; L140-L152 HydrophobicContact CB-CG 3.91Å; L140-I184 HydrophobicContact CD1-CD1 3.52Å; L140-I184 HydrophobicContact CD2-CD1 3.96Å; L140-I184 HydrophobicContact CG-CD1 4.34Å; L140-L216 HydrophobicContact CD2-CD1 3.91Å; L140-L216 HydrophobicContact CD2-CD2 4.22Å |
| 141 | F | 98.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.4 | -174.7 | -65.9 | -78.8 | 0 | 0 | 0 | 111.6 | A97 L98 D100 E120 I121 F123 K139 Y148 E149 D150 | A97-F141 HydrophobicContact CB-CD1 4.09Å; A97-F141 HydrophobicContact CB-CE1 3.81Å; A97-F141 VanDerWaalsContact O-CZ 3.31Å; A97-F141 WeakPolarHBondContact O-CZ 3.37Å; L98-F141 HydrophobicContact CD2-CB 3.58Å; L98-F141 HydrophobicContact CD2-CD1 4.35Å; L98-F141 HydrophobicContact CD2-CD2 3.74Å; L98-F141 HydrophobicContact CD2-CE2 4.48Å; L98-F141 HydrophobicContact CD2-CG 3.64Å; D100-F141 HydrophobicContact CB-CZ 4.31Å; E120-F141 CarbonylContact C-O 3.52Å; E120-F141 VanDerWaalsContact CA-O 3.28Å; E120-F141 WeakPolarHBondContact CA-O 3.47Å; E120-F141 WeakPolarHBondContact CB-O 3.49Å; I121-F141 PolarHBondContact N-O 2.61Å; I121-F141 PolarHBondContact O-N 3.3Å; F123-F141 AromaticContact CD2-CD2 3.76Å; F123-F141 HydrophobicContact CD2-CD2 3.76Å; F123-F141 AromaticContact CD2-CE2 3.67Å; F123-F141 HydrophobicContact CD2-CE2 3.67Å; F123-F141 HydrophobicContact CE2-CD2 4.07Å; F123-F141 HydrophobicContact CE2-CE2 4.15Å; K139-F141 HydrophobicContact CB-CD2 4.11Å; K139-F141 HydrophobicContact CB-CE2 3.44Å; K139-F141 VanDerWaalsContact CB-CE2 3.44Å; K139-F141 HydrophobicContact CB-CZ 3.81Å; K139-F141 HydrophobicContact CD-CZ 4.45Å; K139-F141 HydrophobicContact CG-CE2 4.13Å; K139-F141 HydrophobicContact CG-CZ 4.08Å; F141-Y148 HydrophobicContact CB-CD1 3.9Å; F141-E149 CarbonylContact C-O 3.59Å; F141-E149 VanDerWaalsContact CA-O 3.3Å; F141-E149 WeakPolarHBondContact CA-O 3.07Å; F141-D150 HydrophobicContact CD1-CB 4.09Å; F141-D150 HydrophobicContact CE1-CB 3.83Å |
| 142 | K | 97.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.3 | 171.2 | 176.2 | 166.2 | -168 | 75.7 | 0 | 110.7 | D114 D116 E120 R144 Y148 E149 L151 I214 | D114-K142 IonicContact OD1-NZ 2.98Å; D114-K142 PolarHBondContact OD1-NZ 3.02Å; D114-K142 WeakPolarHBondContact OD2-CD 3.38Å; D114-K142 WeakPolarHBondContact OD2-CE 3.27Å; D114-K142 IonicContact OD2-NZ 2.71Å; D114-K142 PolarHBondContact OD2-NZ 2.92Å; D116-K142 IonicContact OD1-NZ 3.35Å; D116-K142 WeakPolarHBondContact OD2-CE 3.48Å; D116-K142 IonicContact OD2-NZ 3.63Å; D116-K142 PolarHBondContact OD2-NZ 2.64Å; E120-K142 HydrophobicContact CG-CB 3.82Å; E120-K142 HydrophobicContact CG-CG 4.3Å; E120-K142 WeakPolarHBondContact OE1-CG 3.31Å; E120-K142 IonicContact OE1-NZ 3.58Å; E120-K142 PolarHBondContact OE1-NZ 2.91Å; K142-R144 HydrophobicContact CG-CB 4.45Å; K142-R144 PolarHBondContact O-N 3.49Å; K142-Y148 CarbonylContact O-C 3.56Å; K142-Y148 WeakPolarHBondContact O-CA 3.31Å; K142-E149 PolarHBondContact N-O 2.89Å; K142-E149 PolarHBondContact O-N 2.9Å; K142-L151 HydrophobicContact CB-CD1 3.8Å; K142-L151 HydrophobicContact CB-CD2 3.78Å; K142-L151 HydrophobicContact CB-CG 3.67Å; K142-L151 HydrophobicContact CD-CD1 4.32Å; K142-L151 HydrophobicContact CD-CD2 4.19Å; K142-I214 HydrophobicContact CD-CG1 4.27Å |
| 143 | F | 97.4 | Very high | 95.2 | Very high | 48 Ų | 48 | 44 Ų | 44 | 21% | 0.211 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 109.1 | 167.8 | -166.8 | -84.9 | 0 | 0 | 0 | 110.4 | P94 R118 R147 Y148 | P94-F143 HydrophobicContact CB-CE2 4.06Å; R118-F143 VanDerWaalsContact CZ-CB 3.5Å; F143-R147 CarbonylContact C-O 3.59Å; F143-R147 WeakPolarHBondContact CA-O 3.26Å; F143-Y148 HydrophobicContact CB-CD1 4.2Å; F143-Y148 HydrophobicContact CB-CE1 3.94Å; F143-Y148 HydrophobicContact CB-CE2 4.39Å; F143-Y148 AromaticContact CD2-CD2 3.71Å; F143-Y148 HydrophobicContact CD2-CD2 3.71Å; F143-Y148 AromaticContact CD2-CE2 3.63Å; F143-Y148 HydrophobicContact CD2-CE2 3.63Å; F143-Y148 HydrophobicContact CD2-CG 4.25Å; F143-Y148 HydrophobicContact CE2-CD2 4.47Å; F143-Y148 HydrophobicContact CE2-CE2 4.45Å; F143-Y148 HydrophobicContact CG-CE2 4.5Å |
| 144 | R | 95.3 | Very high | 95.6 | Very high | 37 Ų | 37 | 37.9 Ų | 37.9 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 159.4 | 173.9 | 63 | -179.8 | -169.3 | -158.9 | -10.1 | 109.7 | K142 G146 R147 E149 D154 G212 | K142-R144 HydrophobicContact CG-CB 4.45Å; K142-R144 PolarHBondContact O-N 3.49Å; R144-G146 PolarHBondContact O-N 2.86Å; R144-R147 PolarHBondContact N-O 3.43Å; R144-R147 PolarHBondContact O-N 2.89Å; R144-E149 HydrophobicContact CG-CB 4.36Å; R144-E149 HydrophobicContact CG-CG 4.32Å; R144-E149 IonicContact CZ-OE2 3.66Å; R144-E149 VanDerWaalsContact CZ-OE2 3.31Å; R144-E149 IonicContact NE-OE2 2.67Å; R144-E149 PolarHBondContact NE-OE2 2.85Å; R144-E149 IonicContact NH2-OE2 3.82Å; R144-E149 PolarHBondContact NH2-OE2 3.14Å; R144-D154 IonicContact CZ-OD1 2.61Å; R144-D154 IonicContact CZ-OD2 2.64Å; R144-D154 IonicContact NH1-OD1 3.66Å; R144-D154 IonicContact NH1-OD2 3.55Å; R144-D154 PolarHBondContact NH1-OD2 3.09Å; R144-D154 VanDerWaalsContact NH2-CG 3.31Å; R144-D154 IonicContact NH2-OD1 4Å; R144-D154 PolarHBondContact NH2-OD1 2.53Å; R144-D154 IonicContact NH2-OD2 3.43Å; R144-D154 PolarHBondContact NH2-OD2 2.84Å; R144-D154 VanDerWaalsContact NH2-OD2 3.08Å; R144-G212 PolarHBondContact NH1-O 3.33Å; R144-G212 VanDerWaalsContact NH1-O 3.11Å |
| 145 | N | 94.6 | Very high | 96.1 | Very high | 134 Ų | 134 | 43.8 Ų | 43.8 | 72% | 0.717 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 29.7 | -178 | -49.4 | -45.9 | 0 | 0 | 0 | 113.8 | E149 | N145-E149 PolarHBondContact ND2-OE1 2.78Š|
| 146 | G | 95.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 51% | 0.505 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 15.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P94 R144 | P94-G146 VanDerWaalsContact CB-O 3.25Å; P94-G146 WeakPolarHBondContact CB-O 3.42Å; R144-G146 PolarHBondContact O-N 2.86Å |
| 147 | R | 97.4 | Very high | 97.1 | Very high | 97 Ų | 97 | 37 Ų | 37 | 37% | 0.366 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 166.6 | 178.3 | 67.1 | -171.4 | -52.1 | -165.8 | 10.6 | 112.8 | S91 P94 F143 R144 E149 | S91-R147 PolarHBondContact O-NH2 2.84Å; P94-R147 HydrophobicContact CB-CB 4.14Å; F143-R147 CarbonylContact C-O 3.59Å; F143-R147 WeakPolarHBondContact CA-O 3.26Å; R144-R147 PolarHBondContact N-O 3.43Å; R144-R147 PolarHBondContact O-N 2.89Å; R147-E149 HydrophobicContact CG-CG 4Å |
| 148 | Y | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 131.4 | 168.7 | -78.7 | -82.2 | 0 | 0 | 0 | 111.6 | V54 P94 Y95 A97 L98 I121 F141 K142 F143 | V54-Y148 HydrophobicContact CG1-CE2 3.68Å; V54-Y148 WeakPolarHBondContact O-CE2 3.36Å; V54-Y148 PolarHBondContact O-OH 2.77Å; P94-Y148 PolarHBondContact O-N 3.25Å; Y95-Y148 AromaticContact CD1-CD2 3.85Å; Y95-Y148 HydrophobicContact CD1-CD2 3.85Å; Y95-Y148 AromaticContact CD1-CE2 3.79Å; Y95-Y148 HydrophobicContact CD1-CE2 3.79Å; Y95-Y148 HydrophobicContact CE1-CD2 4.44Å; Y95-Y148 HydrophobicContact CE1-CE2 4.07Å; A97-Y148 WeakPolarHBondContact CB-O 3.25Å; L98-Y148 HydrophobicContact CD1-CD1 4.46Å; L98-Y148 HydrophobicContact CD1-CD2 3.66Å; L98-Y148 HydrophobicContact CD1-CE2 3.87Å; L98-Y148 HydrophobicContact CD1-CG 3.98Å; L98-Y148 HydrophobicContact CD2-CD1 3.91Å; L98-Y148 HydrophobicContact CD2-CD2 4.41Å; L98-Y148 HydrophobicContact CD2-CE1 4.48Å; L98-Y148 HydrophobicContact CD2-CG 3.86Å; L98-Y148 HydrophobicContact CG-CD1 4.43Å; L98-Y148 HydrophobicContact CG-CD2 4.04Å; L98-Y148 HydrophobicContact CG-CG 3.9Å; I121-Y148 HydrophobicContact CD1-CE1 4.03Å; I121-Y148 HydrophobicContact CG1-CE1 4.46Å; F141-Y148 HydrophobicContact CB-CD1 3.9Å; K142-Y148 CarbonylContact O-C 3.56Å; K142-Y148 WeakPolarHBondContact O-CA 3.31Å; F143-Y148 HydrophobicContact CB-CD1 4.2Å; F143-Y148 HydrophobicContact CB-CE1 3.94Å; F143-Y148 HydrophobicContact CB-CE2 4.39Å; F143-Y148 AromaticContact CD2-CD2 3.71Å; F143-Y148 HydrophobicContact CD2-CD2 3.71Å; F143-Y148 AromaticContact CD2-CE2 3.63Å; F143-Y148 HydrophobicContact CD2-CE2 3.63Å; F143-Y148 HydrophobicContact CD2-CG 4.25Å; F143-Y148 HydrophobicContact CE2-CD2 4.47Å; F143-Y148 HydrophobicContact CE2-CE2 4.45Å; F143-Y148 HydrophobicContact CG-CE2 4.5Å |
| 149 | E | 97.8 | Very high | 97.4 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 23% | 0.229 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.2 | 178 | -62.8 | -176.5 | -170.7 | 0 | 0 | 110.6 | F141 K142 R144 N145 R147 L151 | F141-E149 CarbonylContact C-O 3.59Å; F141-E149 VanDerWaalsContact CA-O 3.3Å; F141-E149 WeakPolarHBondContact CA-O 3.07Å; K142-E149 PolarHBondContact N-O 2.89Å; K142-E149 PolarHBondContact O-N 2.9Å; R144-E149 HydrophobicContact CG-CB 4.36Å; R144-E149 HydrophobicContact CG-CG 4.32Å; R144-E149 IonicContact CZ-OE2 3.66Å; R144-E149 VanDerWaalsContact CZ-OE2 3.31Å; R144-E149 IonicContact NE-OE2 2.67Å; R144-E149 PolarHBondContact NE-OE2 2.85Å; R144-E149 IonicContact NH2-OE2 3.82Å; R144-E149 PolarHBondContact NH2-OE2 3.14Å; N145-E149 PolarHBondContact ND2-OE1 2.78Å; R147-E149 HydrophobicContact CG-CG 4Å; E149-L151 PolarHBondContact O-N 3.24Å |
| 150 | D | 97.9 | Very high | 97.4 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 104.8 | -178.3 | 175.1 | 23.2 | 0 | 0 | 0 | 111.8 | K139 L140 F141 L152 G153 D154 | K139-D150 HydrophobicContact CD-CB 4.49Å; K139-D150 WeakPolarHBondContact CD-OD2 3.11Å; K139-D150 WeakPolarHBondContact CE-OD2 3.04Å; K139-D150 IonicContact NZ-OD2 2.76Å; K139-D150 PolarHBondContact NZ-OD2 3.14Å; L140-D150 PolarHBondContact N-OD1 2.83Å; L140-D150 CarbonylContact O-C 3.58Å; L140-D150 WeakPolarHBondContact O-CA 3.29Å; F141-D150 HydrophobicContact CD1-CB 4.09Å; F141-D150 HydrophobicContact CE1-CB 3.83Å; D150-L152 VanDerWaalsContact C-N 3.31Å; D150-L152 PolarHBondContact O-N 3.1Å; D150-L152 PolarHBondContact OD1-N 3.23Å; D150-L152 VanDerWaalsContact OD1-N 3.1Å; D150-G153 PolarHBondContact O-N 3.49Å; D150-G153 VanDerWaalsContact O-N 3.11Å; D150-G153 PolarHBondContact OD1-N 3.44Å; D150-G153 PolarHBondContact OD2-N 2.86Å; D150-D154 PolarHBondContact O-N 2.9Å |
| 151 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -61.9 | -34.8 | 177.5 | -67.5 | -174 | 0 | 0 | 0 | 112.7 | E120 L140 K142 E149 G153 D154 N157 I214 L216 | E120-L151 HydrophobicContact CG-CD1 4.15Å; L140-L151 HydrophobicContact CB-CB 4.46Å; L140-L151 HydrophobicContact CD2-CD1 4.11Å; L140-L151 HydrophobicContact CG-CB 4.44Å; L140-L151 HydrophobicContact CG-CD1 4.23Å; L140-L151 WeakPolarHBondContact O-CB 3.35Å; L140-L151 PolarHBondContact O-N 3.44Å; K142-L151 HydrophobicContact CB-CD1 3.8Å; K142-L151 HydrophobicContact CB-CD2 3.78Å; K142-L151 HydrophobicContact CB-CG 3.67Å; K142-L151 HydrophobicContact CD-CD1 4.32Å; K142-L151 HydrophobicContact CD-CD2 4.19Å; E149-L151 PolarHBondContact O-N 3.24Å; L151-G153 PolarHBondContact O-N 3.34Å; L151-D154 WeakPolarHBondContact O-CB 3.14Å; L151-D154 PolarHBondContact O-N 2.94Å; L151-N157 WeakPolarHBondContact O-CB 3.48Å; L151-N157 PolarHBondContact O-ND2 3.21Å; L151-I214 HydrophobicContact CD1-CB 4.21Å; L151-I214 HydrophobicContact CD1-CG1 4.47Å; L151-I214 HydrophobicContact CD1-CG2 4.12Å; L151-I214 HydrophobicContact CD2-CB 4.28Å; L151-I214 HydrophobicContact CD2-CG1 4.38Å; L151-L216 HydrophobicContact CB-CD1 4.18Å |
| 152 | L | 98 | Very high | 97.1 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -70.6 | -22.6 | 178.3 | -68 | 176.2 | 0 | 0 | 0 | 111.8 | Y122 D138 L140 D150 V162 A163 L216 | Y122-L152 HydrophobicContact CE2-CD1 4.11Å; D138-L152 VanDerWaalsContact O-CD1 3.31Å; D138-L152 WeakPolarHBondContact O-CD1 3.21Å; L140-L152 HydrophobicContact CB-CD1 4.08Å; L140-L152 HydrophobicContact CB-CG 3.91Å; D150-L152 VanDerWaalsContact C-N 3.31Å; D150-L152 PolarHBondContact O-N 3.1Å; D150-L152 PolarHBondContact OD1-N 3.23Å; D150-L152 VanDerWaalsContact OD1-N 3.1Å; L152-V162 HydrophobicContact CD2-CG2 3.45Å; L152-V162 VanDerWaalsContact CD2-CG2 3.45Å; L152-A163 HydrophobicContact CB-CB 4.18Å; L152-A163 HydrophobicContact CD1-CB 4.3Å; L152-A163 HydrophobicContact CD2-CB 4.28Å; L152-A163 HydrophobicContact CG-CB 4.5Å; L152-L216 HydrophobicContact CD2-CD1 3.66Å; L152-L216 HydrophobicContact CG-CD1 4.42Å |
| 153 | G | 96.9 | Very high | 96.9 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -82 | -12.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | D150 L151 | D150-G153 PolarHBondContact O-N 3.49Å; D150-G153 VanDerWaalsContact O-N 3.11Å; D150-G153 PolarHBondContact OD1-N 3.44Å; D150-G153 PolarHBondContact OD2-N 2.86Å; L151-G153 PolarHBondContact O-N 3.34Å |
| 154 | D | 97.7 | Very high | 96.6 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -59.8 | 138.6 | 176.4 | -77.4 | -14.8 | 0 | 0 | 0 | 110.8 | R144 D150 L151 L156 N157 V158 | R144-D154 IonicContact CZ-OD1 2.61Å; R144-D154 IonicContact CZ-OD2 2.64Å; R144-D154 IonicContact NH1-OD1 3.66Å; R144-D154 IonicContact NH1-OD2 3.55Å; R144-D154 PolarHBondContact NH1-OD2 3.09Å; R144-D154 VanDerWaalsContact NH2-CG 3.31Å; R144-D154 IonicContact NH2-OD1 4Å; R144-D154 PolarHBondContact NH2-OD1 2.53Å; R144-D154 IonicContact NH2-OD2 3.43Å; R144-D154 PolarHBondContact NH2-OD2 2.84Å; R144-D154 VanDerWaalsContact NH2-OD2 3.08Å; D150-D154 PolarHBondContact O-N 2.9Å; L151-D154 WeakPolarHBondContact O-CB 3.14Å; L151-D154 PolarHBondContact O-N 2.94Å; D154-L156 PolarHBondContact O-N 2.84Å; D154-N157 PolarHBondContact O-N 3.31Å; D154-V158 WeakPolarHBondContact O-CG2 3.49Å; D154-V158 PolarHBondContact O-N 2.84Å |
| 155 | E | 97.5 | Very high | 96.3 | Very high | 136 Ų | 136 | 57 Ų | 57 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -52.5 | -37.3 | -178.5 | -167.7 | -162.9 | 146.1 | 0 | 0 | 111.8 | R159 | E155-R159 WeakPolarHBondContact O-CB 3.29Å; E155-R159 VanDerWaalsContact O-CG 3.28Å; E155-R159 WeakPolarHBondContact O-CG 3.49Å; E155-R159 PolarHBondContact O-N 2.88Å; E155-R159 IonicContact OE1-CZ 2.71Å; E155-R159 IonicContact OE1-NE 3.99Å; E155-R159 IonicContact OE1-NH1 3.75Å; E155-R159 PolarHBondContact OE1-NH1 3.01Å |
| 156 | L | 97.6 | Very high | 96.2 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.1 | -51.9 | 174.3 | 176.6 | 61 | 0 | 0 | 0 | 112.2 | D154 R159 R160 V213 A215 | D154-L156 PolarHBondContact O-N 2.84Å; L156-R159 PolarHBondContact O-N 3.27Å; L156-R160 WeakPolarHBondContact O-CG 3.35Å; L156-R160 PolarHBondContact O-N 3.35Å; L156-R160 VanDerWaalsContact O-N 3.09Å; L156-V213 HydrophobicContact CD2-CG1 3.69Å; L156-A215 HydrophobicContact CD2-CB 3.94Å |
| 157 | N | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -77.7 | -29.8 | -175.4 | -69.6 | -38.8 | 0 | 0 | 0 | 112.3 | L151 D154 R160 G161 V162 I214 L216 | L151-N157 WeakPolarHBondContact O-CB 3.48Å; L151-N157 PolarHBondContact O-ND2 3.21Å; D154-N157 PolarHBondContact O-N 3.31Å; N157-R160 CarbonylContact O-C 3.55Å; N157-R160 PolarHBondContact O-N 3.2Å; N157-G161 PolarHBondContact O-N 3.07Å; N157-V162 HydrophobicContact CB-CG2 4.09Å; N157-I214 PolarHBondContact ND2-O 2.85Å; N157-I214 PolarHBondContact OD1-O 2.82Å; N157-L216 PolarHBondContact OD1-N 2.92Å |
| 158 | V | 97.8 | Very high | 95.8 | Very high | 91 Ų | 91 | 45.2 Ų | 45.2 | 55% | 0.552 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.5 | -46.7 | 168.6 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | D154 R160 G161 | D154-V158 WeakPolarHBondContact O-CG2 3.49Å; D154-V158 PolarHBondContact O-N 2.84Å; V158-R160 VanDerWaalsContact C-N 3.28Å; V158-R160 PolarHBondContact O-N 2.92Å; V158-G161 PolarHBondContact O-N 2.84Å; V158-G161 VanDerWaalsContact O-N 3.1Å |
| 159 | R | 97.3 | Very high | 95.5 | Very high | 175 Ų | 175 | 46 Ų | 46 | 66% | 0.66 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.2 | -32 | 176.6 | -72.6 | -175.2 | -55.3 | -160.9 | 11 | 112.8 | E155 L156 G161 | E155-R159 WeakPolarHBondContact O-CB 3.29Å; E155-R159 VanDerWaalsContact O-CG 3.28Å; E155-R159 WeakPolarHBondContact O-CG 3.49Å; E155-R159 PolarHBondContact O-N 2.88Å; E155-R159 IonicContact OE1-CZ 2.71Å; E155-R159 IonicContact OE1-NE 3.99Å; E155-R159 IonicContact OE1-NH1 3.75Å; E155-R159 PolarHBondContact OE1-NH1 3.01Å; L156-R159 PolarHBondContact O-N 3.27Å; R159-G161 VanDerWaalsContact C-N 3.3Å |
| 160 | R | 97 | Very high | 95.4 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -75.6 | -16.4 | 174.3 | -72.5 | 173.6 | 161.6 | -109.5 | -7.5 | 113.2 | L156 N157 V158 V162 D203 L216 S217 | L156-R160 WeakPolarHBondContact O-CG 3.35Å; L156-R160 PolarHBondContact O-N 3.35Å; L156-R160 VanDerWaalsContact O-N 3.09Å; N157-R160 CarbonylContact O-C 3.55Å; N157-R160 PolarHBondContact O-N 3.2Å; V158-R160 VanDerWaalsContact C-N 3.28Å; V158-R160 PolarHBondContact O-N 2.92Å; R160-V162 VanDerWaalsContact C-N 3.35Å; R160-V162 HydrophobicContact CB-CG1 3.4Å; R160-V162 VanDerWaalsContact CB-CG1 3.4Å; R160-V162 PolarHBondContact O-N 2.8Å; R160-D203 IonicContact CZ-OD2 3.39Å; R160-D203 IonicContact NH1-OD2 3.76Å; R160-D203 PolarHBondContact NH1-OD2 2.67Å; R160-D203 IonicContact NH2-OD2 2.76Å; R160-D203 PolarHBondContact NH2-OD2 3.19Å; R160-L216 PolarHBondContact NH1-O 2.8Å; R160-L216 VanDerWaalsContact NH1-O 3.15Å; R160-S217 PolarHBondContact NH1-OG 3.38Å |
| 161 | G | 95.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 64% | 0.639 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 32.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N157 V158 R159 | N157-G161 PolarHBondContact O-N 3.07Å; V158-G161 PolarHBondContact O-N 2.84Å; V158-G161 VanDerWaalsContact O-N 3.1Å; R159-G161 VanDerWaalsContact C-N 3.3Å |
| 162 | V | 95.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | trans | -87.2 | -18.7 | -167.5 | -42.7 | 0 | 0 | 0 | 0 | 113.8 | L152 N157 R160 N164 L200 L216 | L152-V162 HydrophobicContact CD2-CG2 3.45Å; L152-V162 VanDerWaalsContact CD2-CG2 3.45Å; N157-V162 HydrophobicContact CB-CG2 4.09Å; R160-V162 VanDerWaalsContact C-N 3.35Å; R160-V162 HydrophobicContact CB-CG1 3.4Å; R160-V162 VanDerWaalsContact CB-CG1 3.4Å; R160-V162 PolarHBondContact O-N 2.8Å; V162-N164 PolarHBondContact O-N 2.8Å; V162-L200 WeakPolarHBondContact O-CD2 3.2Å; V162-L216 HydrophobicContact CB-CB 4.46Å; V162-L216 WeakPolarHBondContact CG1-O 3.39Å; V162-L216 HydrophobicContact CG2-CB 3.85Å; V162-L216 HydrophobicContact CG2-CD1 4.44Å | ||
| 163 | A | 93.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -64.5 | 128.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L152 Q165 | L152-A163 HydrophobicContact CB-CB 4.18Å; L152-A163 HydrophobicContact CD1-CB 4.3Å; L152-A163 HydrophobicContact CD2-CB 4.28Å; L152-A163 HydrophobicContact CG-CB 4.5Å; A163-Q165 PolarHBondContact O-N 2.67Å |
| 164 | N | 90.7 | Very high | 95.6 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | trans | -66.6 | 122.4 | 176.7 | -179.8 | 57.3 | 0 | 0 | 0 | 109.3 | S137 D138 V162 M166 N188 | S137-N164 WeakPolarHBondContact CA-O 3.34Å; D138-N164 HydrophobicContact CB-CB 4.43Å; D138-N164 PolarHBondContact N-O 3.1Å; D138-N164 VanDerWaalsContact N-O 3.15Å; D138-N164 VanDerWaalsContact OD2-CB 3.32Å; D138-N164 WeakPolarHBondContact OD2-CB 3.22Å; D138-N164 PolarHBondContact OD2-ND2 3Å; V162-N164 PolarHBondContact O-N 2.8Å; N164-M166 PolarHBondContact ND2-O 3.02Å; N164-M166 WeakPolarHBondContact OD1-CB 3.32Å; N164-M166 WeakPolarHBondContact OD1-CG 3.48Å; N164-N188 PolarHBondContact ND2-OD1 3.29Å; N164-N188 PolarHBondContact OD1-ND2 2.96Å | ||
| 165 | Q | 90.1 | Very high | 95.6 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 49% | 0.491 | 20% | 0.197 | S | C | . | . | trans | -113.2 | 33.1 | -180 | -66.2 | -179.6 | -20.2 | 0 | 0 | 110.6 | R133 A134 A163 | R133-Q165 CarbonylContact C-O 3.6Å; R133-Q165 WeakPolarHBondContact CA-O 3.37Å; A134-Q165 PolarHBondContact N-O 3.28Å; A163-Q165 PolarHBondContact O-N 2.67Å | ||
| 166 | M | 92.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 17% | 0.167 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -121.7 | 156 | -174.1 | -52.2 | -64.3 | 171.6 | 0 | 0 | 109.7 | G132 R133 N164 G168 N188 V194 | G132-M166 CarbonylContact O-C 3.31Å; G132-M166 WeakPolarHBondContact O-CA 3.38Å; R133-M166 HydrophobicContact CG-SD 4.1Å; N164-M166 PolarHBondContact ND2-O 3.02Å; N164-M166 WeakPolarHBondContact OD1-CB 3.32Å; N164-M166 WeakPolarHBondContact OD1-CG 3.48Å; M166-G168 VanDerWaalsContact C-N 3.33Å; M166-G168 PolarHBondContact O-N 3.47Å; M166-N188 HydrophobicContact CB-CB 4.35Å; M166-V194 HydrophobicContact SD-CG1 4.16Å |
| 167 | A | 90.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -71.6 | 87.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A129 G132 Y189 | A129-A167 HydrophobicContact CB-CB 3.9Å; G132-A167 PolarHBondContact O-N 3.33Å; A167-Y189 WeakPolarHBondContact O-CB 3.18Å; A167-Y189 PolarHBondContact O-N 2.74Å | ||
| 168 | G | 91.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 156.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L124 T126 M166 N188 | L124-G168 VanDerWaalsContact CD2-O 3.28Å; L124-G168 WeakPolarHBondContact CD2-O 3.39Å; T126-G168 WeakPolarHBondContact CG2-O 3.33Å; M166-G168 VanDerWaalsContact C-N 3.33Å; M166-G168 PolarHBondContact O-N 3.47Å; G168-N188 WeakPolarHBondContact CA-OD1 3.43Å; G168-N188 PolarHBondContact N-OD1 2.76Å |
| 169 | R | 93.5 | Very high | 95.3 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | -5.1 | -179.1 | -71.5 | -67.7 | 173.9 | -101.2 | 5.4 | 115.1 | A129 Y130 A187 Y189 G231 Y471 L472 | A129-R169 PolarHBondContact O-NH2 2.69Å; Y130-R169 PolarHBondContact O-NH2 3.15Å; R169-A187 PolarHBondContact N-O 2.83Å; R169-Y189 HydrophobicContact CG-CD2 4.04Å; R169-Y189 HydrophobicContact CG-CG 4.49Å; R169-G231 WeakPolarHBondContact CB-O 3.48Å; R169-Y471 WeakPolarHBondContact O-CE2 3.34Å; R169-L472 VanDerWaalsContact C-CD2 3.45Å; R169-L472 WeakPolarHBondContact O-CD2 3.37Å |
| 170 | S | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 162.3 | 159.9 | -159 | 0 | 0 | 0 | 0 | 108.9 | L124 A187 R232 L472 | L124-S170 WeakPolarHBondContact CD1-O 3.34Å; S170-A187 PolarHBondContact O-N 3.01Å; S170-R232 WeakPolarHBondContact CB-O 3.29Å; S170-L472 PolarHBondContact OG-N 3.22Å |
| 171 | V | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 150.1 | -179 | 62.7 | 0 | 0 | 0 | 0 | 109 | T109 Y122 L124 I184 Y185 V186 | T109-V171 HydrophobicContact CG2-CB 4.29Å; T109-V171 HydrophobicContact CG2-CG1 3.92Å; T109-V171 HydrophobicContact CG2-CG2 3.53Å; Y122-V171 HydrophobicContact CD1-CB 4.48Å; Y122-V171 HydrophobicContact CD1-CG2 3.69Å; Y122-V171 HydrophobicContact CE1-CG2 3.96Å; Y122-V171 HydrophobicContact CG-CG2 4.48Å; L124-V171 HydrophobicContact CD1-CB 4.07Å; V171-I184 HydrophobicContact CG2-CG2 3.41Å; V171-I184 VanDerWaalsContact CG2-CG2 3.41Å; V171-Y185 CarbonylContact C-O 3.51Å; V171-Y185 VanDerWaalsContact CA-O 3.27Å; V171-Y185 WeakPolarHBondContact CA-O 3.4Å; V171-Y185 WeakPolarHBondContact CG2-O 3.22Å; V171-V186 HydrophobicContact CG2-CG2 4.33Å |
| 172 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 148.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y185 V234 V236 G467 | A172-Y185 PolarHBondContact N-O 3.07Å; A172-Y185 PolarHBondContact O-N 2.89Å; A172-V234 HydrophobicContact CB-CB 4.15Å; A172-V234 HydrophobicContact CB-CG1 3.57Å; A172-V236 HydrophobicContact CB-CG2 3.6Å; A172-G467 CarbonylContact C-O 3.55Å; A172-G467 WeakPolarHBondContact CA-O 3.37Å; A172-G467 VanDerWaalsContact CB-O 3.27Å; A172-G467 WeakPolarHBondContact CB-O 3.36Å |
| 173 | C | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 137.6 | 169.5 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | T109 C111 Y182 S183 V236 G467 | T109-C173 PolarHBondContact OG1-SG 3.45Å; C111-C173 HydrophobicContact CB-CB 3.45Å; C111-C173 VanDerWaalsContact CB-CB 3.45Å; C111-C173 WeakPolarHBondContact CB-SG 3.26Å; C111-C173 WeakPolarHBondContact SG-CB 3.15Å; C111-C173 CovalentContact SG-SG 2.02Å; C111-C173 PolarHBondContact SG-SG 3.34Å; C173-Y182 HydrophobicContact CB-CD1 4.1Å; C173-Y182 HydrophobicContact CB-CG 4.45Å; C173-S183 CarbonylContact C-O 3.54Å; C173-S183 WeakPolarHBondContact CA-O 3.44Å; C173-V236 WeakPolarHBondContact O-CG2 3.14Å; C173-G467 PolarHBondContact N-O 2.93Å; C173-G467 WeakPolarHBondContact O-CA 3.48Å |
| 174 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 109.3 | -175.9 | -167.3 | 0 | 0 | 0 | 0 | 110.1 | R176 S183 V236 V247 F267 | V174-R176 HydrophobicContact CG1-CB 3.89Å; V174-R176 PolarHBondContact O-N 3.05Å; V174-S183 PolarHBondContact N-O 3.26Å; V174-S183 PolarHBondContact O-N 2.77Å; V174-V236 HydrophobicContact CB-CG1 4.39Å; V174-V236 HydrophobicContact CG1-CG1 4.1Å; V174-V236 HydrophobicContact CG2-CG1 4.24Å; V174-V236 HydrophobicContact CG2-CG2 3.81Å; V174-V247 HydrophobicContact CG1-CG2 4.03Å; V174-V247 HydrophobicContact CG2-CG2 4.04Å; V174-F267 HydrophobicContact CG1-CZ 4.16Å |
| 175 | D | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | trans | -79.8 | 78.7 | 163.3 | -176.4 | 2.6 | 0 | 0 | 0 | 108.8 | K177 G178 T179 G180 Y182 S245 P496 | D175-K177 VanDerWaalsContact C-N 3.3Å; D175-K177 PolarHBondContact O-N 2.78Å; D175-K177 PolarHBondContact OD1-N 2.85Å; D175-G178 VanDerWaalsContact OD1-CA 3.22Å; D175-G178 WeakPolarHBondContact OD1-CA 3.05Å; D175-G178 PolarHBondContact OD1-N 3.3Å; D175-G178 WeakPolarHBondContact OD2-CA 3.48Å; D175-T179 PolarHBondContact OD1-N 3.22Å; D175-T179 PolarHBondContact OD2-N 3.25Å; D175-G180 WeakPolarHBondContact OD2-CA 3.37Å; D175-G180 PolarHBondContact OD2-N 3.33Å; D175-Y182 HydrophobicContact CB-CD1 3.87Å; D175-Y182 HydrophobicContact CB-CE1 3.65Å; D175-S245 VanDerWaalsContact O-CB 3.26Å; D175-S245 WeakPolarHBondContact O-CB 3.5Å; D175-S245 PolarHBondContact O-OG 2.86Å; D175-P496 HydrophobicContact CB-CB 4.31Å; D175-P496 HydrophobicContact CB-CG 4.25Å | ||
| 176 | R | 96.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 12.6 Ų | 12.6 | 5% | 0.045 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -74.9 | -21.2 | -174.9 | 75.1 | -175.4 | -176 | 85.5 | 2.6 | 113 | V174 E201 N261 G265 F267 | V174-R176 HydrophobicContact CG1-CB 3.89Å; V174-R176 PolarHBondContact O-N 3.05Å; R176-E201 IonicContact CZ-OE1 3.6Å; R176-E201 IonicContact CZ-OE2 3.62Å; R176-E201 IonicContact NE-OE1 3.72Å; R176-E201 IonicContact NE-OE2 3.38Å; R176-E201 PolarHBondContact NE-OE2 3.3Å; R176-E201 IonicContact NH2-OE1 3.09Å; R176-E201 PolarHBondContact NH2-OE1 3.41Å; R176-E201 IonicContact NH2-OE2 3.4Å; R176-E201 PolarHBondContact NH2-OE2 2.74Å; R176-N261 PolarHBondContact O-ND2 3.02Å; R176-G265 VanDerWaalsContact NH1-C 3.26Å; R176-G265 PolarHBondContact NH1-O 3.15Å; R176-G265 WeakPolarHBondContact O-CA 2.94Å; R176-F267 HydrophobicContact CB-CE2 3.91Å; R176-F267 HydrophobicContact CB-CZ 3.69Å |
| 177 | K | 96.7 | Very high | 96.8 | Very high | 84 Ų | 84 | 11 Ų | 11 | 37% | 0.365 | 5% | 0.054 | S | C | . | . | S | Bend | trans | -101.1 | -10.1 | -176.7 | -61.9 | 178.8 | -168.9 | 161 | 0 | 112.5 | D175 T179 E201 E204 | D175-K177 VanDerWaalsContact C-N 3.3Å; D175-K177 PolarHBondContact O-N 2.78Å; D175-K177 PolarHBondContact OD1-N 2.85Å; K177-T179 VanDerWaalsContact C-N 3.28Å; K177-T179 HydrophobicContact CB-CG2 3.81Å; K177-E201 IonicContact NZ-OE1 3.43Å; K177-E201 PolarHBondContact NZ-OE1 2.81Å; K177-E204 IonicContact NZ-OE1 2.69Å; K177-E204 PolarHBondContact NZ-OE1 3.41Å |
| 178 | G | 96 | Very high | 97.1 | Very high | 8 Ų | 8 | 11 Ų | 11 | 8% | 0.082 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 76.1 | 13.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D175 D497 | D175-G178 VanDerWaalsContact OD1-CA 3.22Å; D175-G178 WeakPolarHBondContact OD1-CA 3.05Å; D175-G178 PolarHBondContact OD1-N 3.3Å; D175-G178 WeakPolarHBondContact OD2-CA 3.48Å; G178-D497 WeakPolarHBondContact O-CB 3.44Å |
| 179 | T | 96.2 | Very high | 97.2 | Very high | 43 Ų | 43 | 12.1 Ų | 12.1 | 26% | 0.264 | 6% | 0.058 | S | C | . | . | S | Bend | trans | -86 | -12.6 | -171.2 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | D175 K177 R181 Q441 F442 | D175-T179 PolarHBondContact OD1-N 3.22Å; D175-T179 PolarHBondContact OD2-N 3.25Å; K177-T179 VanDerWaalsContact C-N 3.28Å; K177-T179 HydrophobicContact CB-CG2 3.81Å; T179-R181 PolarHBondContact OG1-N 2.83Å; T179-Q441 PolarHBondContact O-NE2 3.34Å; T179-F442 WeakPolarHBondContact O-CE2 3.44Å |
| 180 | G | 96.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 5% | 0.052 | 6% | 0.06 | C | C | . | . | S | Bend | trans | 78.1 | 7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D175 | D175-G180 WeakPolarHBondContact OD2-CA 3.37Å; D175-G180 PolarHBondContact OD2-N 3.33Å |
| 181 | R | 98.1 | Very high | 96.9 | Very high | 45 Ų | 45 | 17.9 Ų | 17.9 | 17% | 0.17 | 9% | 0.088 | C | C | . | . | P | Polyproline II helix | trans | -100.4 | 137.4 | 164.1 | -72.1 | 162.1 | -173.3 | -82.8 | -19.4 | 108.8 | D112 D114 G115 T179 F442 | D112-R181 WeakPolarHBondContact O-CA 3.43Å; D114-R181 PolarHBondContact O-NH1 2.8Å; D114-R181 PolarHBondContact O-NH2 2.9Å; D114-R181 VanDerWaalsContact O-NH2 3.08Å; G115-R181 PolarHBondContact O-NH2 3.31Å; T179-R181 PolarHBondContact OG1-N 2.83Å; R181-F442 HydrophobicContact CG-CD2 4.32Å; R181-F442 HydrophobicContact CG-CE2 3.71Å; R181-F442 HydrophobicContact CG-CZ 4.29Å |
| 182 | Y | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -103.3 | 141.6 | -173.9 | -63.6 | -90 | 0 | 0 | 0 | 112.8 | C111 D112 C173 D175 T440 F445 A446 R447 | C111-Y182 HydrophobicContact CB-CD1 4.18Å; C111-Y182 HydrophobicContact CB-CD2 3.68Å; C111-Y182 HydrophobicContact CB-CE2 4.41Å; C111-Y182 HydrophobicContact CB-CG 3.54Å; C111-Y182 WeakPolarHBondContact SG-CB 3.36Å; D112-Y182 HydrophobicContact CB-CD2 4.27Å; D112-Y182 HydrophobicContact CB-CE2 4.45Å; D112-Y182 WeakPolarHBondContact O-CD2 3.3Å; D112-Y182 PolarHBondContact O-N 3.23Å; D112-Y182 VanDerWaalsContact O-N 3.1Å; C173-Y182 HydrophobicContact CB-CD1 4.1Å; C173-Y182 HydrophobicContact CB-CG 4.45Å; D175-Y182 HydrophobicContact CB-CD1 3.87Å; D175-Y182 HydrophobicContact CB-CE1 3.65Å; Y182-T440 HydrophobicContact CE2-CG2 4.22Å; Y182-F445 PolarHBondContact OH-O 2.96Å; Y182-A446 WeakPolarHBondContact OH-CA 3.47Å; Y182-R447 HydrophobicContact CE1-CB 3.65Å; Y182-R447 WeakPolarHBondContact CE1-O 3.48Å; Y182-R447 PolarHBondContact OH-N 3.42Å; Y182-R447 PolarHBondContact OH-O 2.87Å |
| 183 | S | 98.6 | Very high | 96 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 151.8 | 158.3 | -45.8 | 0 | 0 | 0 | 0 | 109.2 | C173 V174 L199 L200 E201 | C173-S183 CarbonylContact C-O 3.54Å; C173-S183 WeakPolarHBondContact CA-O 3.44Å; V174-S183 PolarHBondContact N-O 3.26Å; V174-S183 PolarHBondContact O-N 2.77Å; S183-L199 VanDerWaalsContact CB-CD1 3.46Å; S183-L200 CarbonylContact C-O 3.57Å; S183-L200 VanDerWaalsContact CA-O 3.24Å; S183-L200 WeakPolarHBondContact CA-O 3.43Å; S183-E201 PolarHBondContact OG-OE2 2.88Å |
| 184 | I | 98.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 110.8 | 173.2 | -62.8 | 161.3 | 0 | 0 | 0 | 108.4 | T109 V113 Y122 L140 V171 V186 L199 L200 | T109-I184 HydrophobicContact CG2-CG2 4.38Å; V113-I184 HydrophobicContact CG2-CD1 3.79Å; V113-I184 HydrophobicContact CG2-CG1 4.14Å; Y122-I184 HydrophobicContact CD1-CG2 4.08Å; Y122-I184 HydrophobicContact CD2-CD1 3.67Å; Y122-I184 HydrophobicContact CD2-CG2 3.99Å; Y122-I184 HydrophobicContact CE1-CG2 4.25Å; Y122-I184 HydrophobicContact CE2-CD1 4.43Å; Y122-I184 HydrophobicContact CE2-CG2 4.17Å; Y122-I184 HydrophobicContact CG-CD1 4.08Å; Y122-I184 HydrophobicContact CG-CG2 3.89Å; L140-I184 HydrophobicContact CD1-CD1 3.52Å; L140-I184 HydrophobicContact CD2-CD1 3.96Å; L140-I184 HydrophobicContact CG-CD1 4.34Å; V171-I184 HydrophobicContact CG2-CG2 3.41Å; V171-I184 VanDerWaalsContact CG2-CG2 3.41Å; I184-V186 HydrophobicContact CG2-CG2 4.18Å; I184-L199 CarbonylContact O-C 3.49Å; I184-L199 WeakPolarHBondContact O-CA 3.28Å; I184-L200 HydrophobicContact CB-CB 4.46Å; I184-L200 PolarHBondContact N-O 3.03Å; I184-L200 PolarHBondContact O-N 3.46Å |
| 185 | Y | 98.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.7 | 174.2 | -179.9 | -92.9 | 0 | 0 | 0 | 110.6 | V171 A172 A187 H197 L199 V225 V234 V247 C249 F259 | V171-Y185 CarbonylContact C-O 3.51Å; V171-Y185 VanDerWaalsContact CA-O 3.27Å; V171-Y185 WeakPolarHBondContact CA-O 3.4Å; V171-Y185 WeakPolarHBondContact CG2-O 3.22Å; A172-Y185 PolarHBondContact N-O 3.07Å; A172-Y185 PolarHBondContact O-N 2.89Å; Y185-A187 HydrophobicContact CE1-CB 4.16Å; Y185-H197 HydrophobicContact CE2-CB 4.26Å; Y185-H197 AromaticContact CZ-ND1 3.56Å; Y185-H197 PolarHBondContact OH-ND1 3.4Å; Y185-L199 HydrophobicContact CD2-CD1 4.23Å; Y185-V225 HydrophobicContact CD2-CG2 4.14Å; Y185-V225 HydrophobicContact CE2-CB 3.95Å; Y185-V225 HydrophobicContact CE2-CG2 3.91Å; Y185-V234 HydrophobicContact CD1-CB 4.43Å; Y185-V234 HydrophobicContact CD1-CG1 3.69Å; Y185-V234 HydrophobicContact CD1-CG2 3.94Å; Y185-V234 HydrophobicContact CE1-CB 4.5Å; Y185-V234 HydrophobicContact CE1-CG1 3.93Å; Y185-V234 HydrophobicContact CE1-CG2 3.68Å; Y185-V247 HydrophobicContact CD1-CG1 4.45Å; Y185-V247 HydrophobicContact CE1-CG1 4.38Å; Y185-C249 VanDerWaalsContact CE1-SG 3.54Å; Y185-C249 PolarHBondContact OH-SG 3.1Å; Y185-F259 WeakPolarHBondContact OH-CE2 3.49Å |
| 186 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 114.5 | -179.7 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | Y122 L124 V171 I184 N188 H197 A198 | Y122-V186 HydrophobicContact CE1-CG2 4.06Å; Y122-V186 WeakPolarHBondContact OH-CG2 3.41Å; L124-V186 HydrophobicContact CD1-CG1 3.91Å; V171-V186 HydrophobicContact CG2-CG2 4.33Å; I184-V186 HydrophobicContact CG2-CG2 4.18Å; V186-N188 PolarHBondContact O-N 3.48Å; V186-H197 WeakPolarHBondContact O-CA 3.25Å; V186-H197 WeakPolarHBondContact O-CB 3.37Å; V186-A198 HydrophobicContact CB-CB 4.25Å; V186-A198 PolarHBondContact N-O 3.27Å; V186-A198 PolarHBondContact O-N 2.73Å; V186-A198 VanDerWaalsContact O-N 3.07Å |
| 187 | A | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 98.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R169 S170 Y185 V234 | R169-A187 PolarHBondContact N-O 2.83Å; S170-A187 PolarHBondContact O-N 3.01Å; Y185-A187 HydrophobicContact CE1-CB 4.16Å; A187-V234 HydrophobicContact CB-CG2 3.53Å |
| 188 | N | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 147 | 177.9 | -77 | -35.4 | 0 | 0 | 0 | 112.4 | N164 M166 G168 V186 A190 G195 P196 H197 T229 G231 | N164-N188 PolarHBondContact ND2-OD1 3.29Å; N164-N188 PolarHBondContact OD1-ND2 2.96Å; M166-N188 HydrophobicContact CB-CB 4.35Å; G168-N188 WeakPolarHBondContact CA-OD1 3.43Å; G168-N188 PolarHBondContact N-OD1 2.76Å; V186-N188 PolarHBondContact O-N 3.48Å; N188-A190 PolarHBondContact O-N 3.47Å; N188-G195 WeakPolarHBondContact CB-O 3.49Å; N188-P196 PolarHBondContact ND2-O 3.01Å; N188-H197 PolarHBondContact N-CD2 2.86Å; N188-H197 PolarHBondContact O-CD2 3Å; N188-H197 PolarHBondContact O-NE2 2.81Å; N188-T229 VanDerWaalsContact O-O 3.04Å; N188-G231 PolarHBondContact O-N 3.26Å; N188-G231 VanDerWaalsContact O-N 3.1Å |
| 189 | Y | 94.8 | Very high | 95.3 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 9% | 0.09 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -86.7 | 95 | 165.7 | -159.9 | -41.2 | 0 | 0 | 0 | 109 | Y130 S131 G132 A167 R169 R232 E252 N253 | Y130-Y189 HydrophobicContact CD1-CE2 4.22Å; Y130-Y189 HydrophobicContact CE1-CD2 4.03Å; Y130-Y189 HydrophobicContact CE1-CE1 4.4Å; Y130-Y189 AromaticContact CE1-CE2 3.37Å; Y130-Y189 HydrophobicContact CE1-CE2 3.37Å; Y130-Y189 AromaticContact CE1-CZ 3.64Å; Y130-Y189 AromaticContact CZ-CE2 3.6Å; S131-Y189 CarbonylContact C-O 3.35Å; S131-Y189 WeakPolarHBondContact CA-O 3.42Å; S131-Y189 VanDerWaalsContact CB-CD1 3.45Å; S131-Y189 WeakPolarHBondContact CB-O 3.39Å; G132-Y189 PolarHBondContact N-O 2.83Å; A167-Y189 WeakPolarHBondContact O-CB 3.18Å; A167-Y189 PolarHBondContact O-N 2.74Å; R169-Y189 HydrophobicContact CG-CD2 4.04Å; R169-Y189 HydrophobicContact CG-CG 4.49Å; Y189-R232 VanDerWaalsContact CE2-NH2 3.29Å; Y189-E252 WeakPolarHBondContact CE2-OE2 3.43Å; Y189-E252 VanDerWaalsContact CZ-OE2 3.29Å; Y189-E252 PolarHBondContact OH-OE2 3.48Å; Y189-N253 PolarHBondContact OH-ND2 2.76Å; Y189-N253 VanDerWaalsContact OH-ND2 3.1Å |
| 190 | A | 92.3 | Very high | 95.4 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 12% | 0.116 | 16% | 0.159 | C | C | . | . | trans | -66.4 | 143.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N188 V194 G195 L228 T229 | N188-A190 PolarHBondContact O-N 3.47Å; A190-V194 CarbonylContact C-O 3.53Å; A190-V194 VanDerWaalsContact CA-O 3.22Å; A190-V194 WeakPolarHBondContact CA-O 3.15Å; A190-G195 WeakPolarHBondContact CA-O 3.48Å; A190-G195 WeakPolarHBondContact CB-O 3.41Å; A190-L228 HydrophobicContact CB-CB 4.13Å; A190-L228 HydrophobicContact CB-CD2 3.81Å; A190-T229 WeakPolarHBondContact CB-O 3.17Å; A190-T229 PolarHBondContact N-O 3.37Å | ||
| 191 | Q | 89.6 | Confident | 95.5 | Very high | 125 Ų | 125 | 30.8 Ų | 30.8 | 58% | 0.584 | 16% | 0.16 | S | C | * | . | B | Isolated β-bridge | trans | -115.2 | 99.7 | 167.2 | -170.8 | -178.2 | 12 | 0 | 0 | 109 | R193 V194 | Q191-R193 PolarHBondContact O-N 3.19Å; Q191-R193 VanDerWaalsContact O-N 3.08Å; Q191-V194 PolarHBondContact N-O 2.79Å; Q191-V194 PolarHBondContact O-N 3.17Å; Q191-V194 VanDerWaalsContact O-N 3.09Å |
| 192 | G | 88.8 | Confident | 95.5 | Very high | 67 Ų | 67 | 29.1 Ų | 29.1 | 69% | 0.691 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -108.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 193 | R | 89 | Confident | 95.5 | Very high | 233 Ų | 233 | 30.6 Ų | 30.6 | 88% | 0.879 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 9.3 | 178.5 | -62.9 | -175.2 | -179.8 | 179.2 | -0.2 | 113.7 | Q191 | Q191-R193 PolarHBondContact O-N 3.19Å; Q191-R193 VanDerWaalsContact O-N 3.08Å |
| 194 | V | 91.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 35.6 Ų | 35.6 | 35% | 0.345 | 19% | 0.186 | S | C | . | . | B | Isolated β-bridge | trans | -108.7 | 135.5 | -177.8 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | R133 M166 A190 Q191 | R133-V194 HydrophobicContact CG-CG1 3.96Å; M166-V194 HydrophobicContact SD-CG1 4.16Å; A190-V194 CarbonylContact C-O 3.53Å; A190-V194 VanDerWaalsContact CA-O 3.22Å; A190-V194 WeakPolarHBondContact CA-O 3.15Å; Q191-V194 PolarHBondContact N-O 2.79Å; Q191-V194 PolarHBondContact O-N 3.17Å; Q191-V194 VanDerWaalsContact O-N 3.09Å |
| 195 | G | 90.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | trans | 80.1 | 55.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N188 A190 | N188-G195 WeakPolarHBondContact CB-O 3.49Å; A190-G195 WeakPolarHBondContact CA-O 3.48Å; A190-G195 WeakPolarHBondContact CB-O 3.41Å | ||
| 196 | P | 95.7 | Very high | 95.2 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | trans | -62 | 158.6 | 166.3 | 32.3 | -35.5 | 0 | 0 | 0 | 109.9 | N188 N226 K227 L228 | N188-P196 PolarHBondContact ND2-O 3.01Å; P196-N226 HydrophobicContact CB-CB 4.33Å; P196-K227 CarbonylContact C-O 3.54Å; P196-K227 VanDerWaalsContact CA-O 3.24Å; P196-K227 WeakPolarHBondContact CA-O 3.35Å; P196-L228 HydrophobicContact CB-CD2 3.95Å; P196-L228 HydrophobicContact CB-CG 4.27Å | ||
| 197 | H | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | trans | -58 | 147.2 | 169.7 | -62.6 | -170.3 | 0 | 0 | 0 | 110.5 | Y185 V186 N188 A220 K227 F257 | Y185-H197 HydrophobicContact CE2-CB 4.26Å; Y185-H197 AromaticContact CZ-ND1 3.56Å; Y185-H197 PolarHBondContact OH-ND1 3.4Å; V186-H197 WeakPolarHBondContact O-CA 3.25Å; V186-H197 WeakPolarHBondContact O-CB 3.37Å; N188-H197 PolarHBondContact N-CD2 2.86Å; N188-H197 PolarHBondContact O-CD2 3Å; N188-H197 PolarHBondContact O-NE2 2.81Å; H197-A220 WeakPolarHBondContact O-CB 3.27Å; H197-K227 PolarHBondContact CD2-O 3.18Å; H197-K227 PolarHBondContact N-O 2.84Å; H197-F257 AromaticContact CE1-CE2 3.79Å | ||
| 198 | A | 98.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 159 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V186 L200 | V186-A198 HydrophobicContact CB-CB 4.25Å; V186-A198 PolarHBondContact N-O 3.27Å; V186-A198 PolarHBondContact O-N 2.73Å; V186-A198 VanDerWaalsContact O-N 3.07Å; A198-L200 HydrophobicContact CB-CD2 4.42Å |
| 199 | L | 98.6 | Very high | 95 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 95.9 | 176.9 | -176.5 | 64.1 | 0 | 0 | 0 | 107.6 | S183 I184 Y185 D218 V219 A220 A223 V225 | S183-L199 VanDerWaalsContact CB-CD1 3.46Å; I184-L199 CarbonylContact O-C 3.49Å; I184-L199 WeakPolarHBondContact O-CA 3.28Å; Y185-L199 HydrophobicContact CD2-CD1 4.23Å; L199-D218 PolarHBondContact N-OD1 3.39Å; L199-D218 WeakPolarHBondContact O-CA 3.42Å; L199-V219 HydrophobicContact CB-CG2 4.3Å; L199-V219 HydrophobicContact CD2-CG2 3.96Å; L199-V219 HydrophobicContact CG-CG2 3.98Å; L199-V219 WeakPolarHBondContact O-CG2 3.35Å; L199-V219 PolarHBondContact O-N 3.35Å; L199-A220 HydrophobicContact CB-CB 3.93Å; L199-A223 HydrophobicContact CD2-CB 3.62Å; L199-V225 HydrophobicContact CB-CG2 4.09Å; L199-V225 HydrophobicContact CD2-CG2 3.99Å |
| 200 | L | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 131.4 | -174.5 | -51.2 | -177.3 | 0 | 0 | 0 | 109.5 | Y122 V162 S183 I184 A198 S217 D218 | Y122-L200 HydrophobicContact CE2-CD1 3.81Å; V162-L200 WeakPolarHBondContact O-CD2 3.2Å; S183-L200 CarbonylContact C-O 3.57Å; S183-L200 VanDerWaalsContact CA-O 3.24Å; S183-L200 WeakPolarHBondContact CA-O 3.43Å; I184-L200 HydrophobicContact CB-CB 4.46Å; I184-L200 PolarHBondContact N-O 3.03Å; I184-L200 PolarHBondContact O-N 3.46Å; A198-L200 HydrophobicContact CB-CD2 4.42Å; L200-S217 WeakPolarHBondContact CA-O 3.44Å; L200-D218 HydrophobicContact CD2-CB 3.7Å |
| 201 | E | 98.2 | Very high | 94.7 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 166.5 | 175 | 71.1 | 179.6 | -149.3 | 0 | 0 | 111.8 | R176 K177 S183 D203 L216 S217 V219 | R176-E201 IonicContact CZ-OE1 3.6Å; R176-E201 IonicContact CZ-OE2 3.62Å; R176-E201 IonicContact NE-OE1 3.72Å; R176-E201 IonicContact NE-OE2 3.38Å; R176-E201 PolarHBondContact NE-OE2 3.3Å; R176-E201 IonicContact NH2-OE1 3.09Å; R176-E201 PolarHBondContact NH2-OE1 3.41Å; R176-E201 IonicContact NH2-OE2 3.4Å; R176-E201 PolarHBondContact NH2-OE2 2.74Å; K177-E201 IonicContact NZ-OE1 3.43Å; K177-E201 PolarHBondContact NZ-OE1 2.81Å; S183-E201 PolarHBondContact OG-OE2 2.88Å; E201-D203 PolarHBondContact O-N 2.87Å; E201-L216 CarbonylContact O-C 2.87Å; E201-L216 VanDerWaalsContact O-CA 3.31Å; E201-L216 WeakPolarHBondContact O-CA 3.38Å; E201-S217 PolarHBondContact N-O 3.02Å; E201-S217 PolarHBondContact O-N 3.49Å; E201-V219 HydrophobicContact CG-CG1 4.05Å; E201-V219 HydrophobicContact CG-CG2 3.85Å |
| 202 | M | 98.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 129 | 171 | -167.9 | -175.7 | 71.7 | 0 | 0 | 111.3 | V113 D114 E204 S207 V209 I214 A215 | V113-M202 HydrophobicContact CG1-CB 4.3Å; D114-M202 HydrophobicContact CB-SD 3.66Å; M202-E204 HydrophobicContact CE-CB 4.27Å; M202-E204 HydrophobicContact CE-CG 3.6Å; M202-E204 PolarHBondContact O-N 2.89Å; M202-S207 WeakPolarHBondContact CG-OG 3.49Å; M202-S207 PolarHBondContact SD-OG 2.77Å; M202-V209 HydrophobicContact CE-CG2 4.15Å; M202-V209 HydrophobicContact SD-CG2 3.77Å; M202-I214 HydrophobicContact CG-CG2 3.89Å; M202-I214 HydrophobicContact SD-CD1 4.25Å; M202-I214 HydrophobicContact SD-CG2 4.15Å; M202-A215 CarbonylContact C-O 3.6Å; M202-A215 WeakPolarHBondContact CA-O 3.42Å |
| 203 | D | 98.1 | Very high | 94.9 | Very high | 35 Ų | 35 | 53 Ų | 53 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | trans | -81 | 92.2 | 165.9 | 177.3 | -2.9 | 0 | 0 | 0 | 109.2 | R160 E201 S205 A206 S207 A215 | R160-D203 IonicContact CZ-OD2 3.39Å; R160-D203 IonicContact NH1-OD2 3.76Å; R160-D203 PolarHBondContact NH1-OD2 2.67Å; R160-D203 IonicContact NH2-OD2 2.76Å; R160-D203 PolarHBondContact NH2-OD2 3.19Å; E201-D203 PolarHBondContact O-N 2.87Å; D203-S205 PolarHBondContact O-N 2.81Å; D203-S205 VanDerWaalsContact O-N 3.09Å; D203-S205 PolarHBondContact OD1-N 2.8Å; D203-S205 PolarHBondContact OD1-OG 2.96Å; D203-A206 HydrophobicContact CB-CB 4.4Å; D203-A206 PolarHBondContact O-N 3.23Å; D203-A206 PolarHBondContact OD1-N 3.25Å; D203-A206 WeakPolarHBondContact OD2-CB 3.26Å; D203-S207 PolarHBondContact O-N 2.96Å; D203-S207 PolarHBondContact O-OG 3.07Å; D203-S207 VanDerWaalsContact O-OG 3.13Å; D203-A215 HydrophobicContact CB-CB 4.19Å; D203-A215 PolarHBondContact N-O 2.93Å | ||
| 204 | E | 95.9 | Very high | 95.4 | Very high | 107 Ų | 107 | 41.9 Ų | 41.9 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31.1 | -178.1 | -64 | 172.5 | -119.4 | 0 | 0 | 113.6 | K177 M202 A206 | K177-E204 IonicContact NZ-OE1 2.69Å; K177-E204 PolarHBondContact NZ-OE1 3.41Å; M202-E204 HydrophobicContact CE-CB 4.27Å; M202-E204 HydrophobicContact CE-CG 3.6Å; M202-E204 PolarHBondContact O-N 2.89Å; E204-A206 VanDerWaalsContact C-N 3.32Å; E204-A206 PolarHBondContact O-N 2.76Å |
| 205 | S | 96.8 | Very high | 95.7 | Very high | 116 Ų | 116 | 39.2 Ų | 39.2 | 81% | 0.811 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -19.3 | -177.5 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | D203 | D203-S205 PolarHBondContact O-N 2.81Å; D203-S205 VanDerWaalsContact O-N 3.09Å; D203-S205 PolarHBondContact OD1-N 2.8Å; D203-S205 PolarHBondContact OD1-OG 2.96Å |
| 206 | A | 97.6 | Very high | 96.1 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -4.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D203 E204 A215 | D203-A206 HydrophobicContact CB-CB 4.4Å; D203-A206 PolarHBondContact O-N 3.23Å; D203-A206 PolarHBondContact OD1-N 3.25Å; D203-A206 WeakPolarHBondContact OD2-CB 3.26Å; E204-A206 VanDerWaalsContact C-N 3.32Å; E204-A206 PolarHBondContact O-N 2.76Å; A206-A215 HydrophobicContact CB-CB 3.76Å |
| 207 | S | 97.9 | Very high | 96.2 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | trans | -84.1 | 150.6 | 170.8 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | M202 D203 V213 A215 | M202-S207 WeakPolarHBondContact CG-OG 3.49Å; M202-S207 PolarHBondContact SD-OG 2.77Å; D203-S207 PolarHBondContact O-N 2.96Å; D203-S207 PolarHBondContact O-OG 3.07Å; D203-S207 VanDerWaalsContact O-OG 3.13Å; S207-V213 CarbonylContact C-O 3.57Å; S207-V213 WeakPolarHBondContact CA-O 3.39Å; S207-A215 PolarHBondContact OG-N 3Å; S207-A215 PolarHBondContact OG-O 2.67Å | ||
| 208 | D | 95.3 | Very high | 96.3 | Very high | 64 Ų | 64 | 42.6 Ų | 42.6 | 34% | 0.342 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -127.4 | 83.8 | 164 | -176.9 | -9.6 | 0 | 0 | 0 | 107.7 | S210 N211 G212 V213 | D208-S210 PolarHBondContact O-N 2.89Å; D208-S210 PolarHBondContact OD1-N 2.88Å; D208-S210 PolarHBondContact OD1-OG 2.98Å; D208-N211 CarbonylContact O-C 3.56Å; D208-N211 PolarHBondContact O-N 2.61Å; D208-N211 VanDerWaalsContact O-N 3.1Å; D208-N211 PolarHBondContact OD1-N 2.94Å; D208-N211 PolarHBondContact OD1-ND2 3.35Å; D208-N211 PolarHBondContact OD2-ND2 2.86Å; D208-G212 PolarHBondContact O-N 2.73Å; D208-G212 VanDerWaalsContact O-N 3.16Å; D208-V213 CarbonylContact C-O 3.6Å; D208-V213 HydrophobicContact CB-CB 4.21Å; D208-V213 PolarHBondContact N-O 3.13Å; D208-V213 PolarHBondContact O-N 2.64Å |
| 209 | V | 93.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 43 Ų | 43 | 32% | 0.315 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -57.8 | -35.9 | -177.8 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | M202 N211 G212 I214 | M202-V209 HydrophobicContact CE-CG2 4.15Å; M202-V209 HydrophobicContact SD-CG2 3.77Å; V209-N211 PolarHBondContact O-N 2.94Å; V209-G212 PolarHBondContact O-N 3.46Å; V209-I214 HydrophobicContact CB-CD1 4.4Å; V209-I214 HydrophobicContact CG2-CD1 4.03Å |
| 210 | S | 89.9 | Confident | 96.3 | Very high | 104 Ų | 104 | 43 Ų | 43 | 73% | 0.727 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -63.2 | -28.2 | -179.4 | 75.3 | 0 | 0 | 0 | 0 | 113.4 | D208 | D208-S210 PolarHBondContact O-N 2.89Å; D208-S210 PolarHBondContact OD1-N 2.88Å; D208-S210 PolarHBondContact OD1-OG 2.98Å |
| 211 | N | 89.9 | Confident | 96.2 | Very high | 119 Ų | 119 | 46.2 Ų | 46.2 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -104.6 | 11.2 | 175.9 | -69.1 | -55.5 | 0 | 0 | 0 | 112.8 | D208 V209 V213 | D208-N211 CarbonylContact O-C 3.56Å; D208-N211 PolarHBondContact O-N 2.61Å; D208-N211 VanDerWaalsContact O-N 3.1Å; D208-N211 PolarHBondContact OD1-N 2.94Å; D208-N211 PolarHBondContact OD1-ND2 3.35Å; D208-N211 PolarHBondContact OD2-ND2 2.86Å; V209-N211 PolarHBondContact O-N 2.94Å; N211-V213 PolarHBondContact O-N 2.61Å |
| 212 | G | 88.2 | Confident | 96.2 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 22% | 0.216 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 16.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R144 D208 V209 | R144-G212 PolarHBondContact NH1-O 3.33Å; R144-G212 VanDerWaalsContact NH1-O 3.11Å; D208-G212 PolarHBondContact O-N 2.73Å; D208-G212 VanDerWaalsContact O-N 3.16Å; V209-G212 PolarHBondContact O-N 3.46Å |
| 213 | V | 95.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -92 | 105 | 178.2 | 179.9 | 0 | 0 | 0 | 0 | 109 | L156 S207 D208 N211 | L156-V213 HydrophobicContact CD2-CG1 3.69Å; S207-V213 CarbonylContact C-O 3.57Å; S207-V213 WeakPolarHBondContact CA-O 3.39Å; D208-V213 CarbonylContact C-O 3.6Å; D208-V213 HydrophobicContact CB-CB 4.21Å; D208-V213 PolarHBondContact N-O 3.13Å; D208-V213 PolarHBondContact O-N 2.64Å; N211-V213 PolarHBondContact O-N 2.61Å |
| 214 | I | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | trans | -108.8 | 105.1 | -176.6 | -51.5 | -52.6 | 0 | 0 | 0 | 109.4 | D114 K142 L151 N157 M202 V209 L216 | D114-I214 HydrophobicContact CB-CD1 3.74Å; D114-I214 HydrophobicContact CB-CG1 4.26Å; D114-I214 HydrophobicContact CB-CG2 4.27Å; D114-I214 WeakPolarHBondContact OD2-CD1 3.35Å; D114-I214 WeakPolarHBondContact OD2-CG1 3.36Å; K142-I214 HydrophobicContact CD-CG1 4.27Å; L151-I214 HydrophobicContact CD1-CB 4.21Å; L151-I214 HydrophobicContact CD1-CG1 4.47Å; L151-I214 HydrophobicContact CD1-CG2 4.12Å; L151-I214 HydrophobicContact CD2-CB 4.28Å; L151-I214 HydrophobicContact CD2-CG1 4.38Å; N157-I214 PolarHBondContact ND2-O 2.85Å; N157-I214 PolarHBondContact OD1-O 2.82Å; M202-I214 HydrophobicContact CG-CG2 3.89Å; M202-I214 HydrophobicContact SD-CD1 4.25Å; M202-I214 HydrophobicContact SD-CG2 4.15Å; V209-I214 HydrophobicContact CB-CD1 4.4Å; V209-I214 HydrophobicContact CG2-CD1 4.03Å; I214-L216 HydrophobicContact CG2-CD2 4.19Å; I214-L216 HydrophobicContact CG2-CG 4.46Å | ||
| 215 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -81.1 | 128.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L156 M202 D203 A206 S207 | L156-A215 HydrophobicContact CD2-CB 3.94Å; M202-A215 CarbonylContact C-O 3.6Å; M202-A215 WeakPolarHBondContact CA-O 3.42Å; D203-A215 HydrophobicContact CB-CB 4.19Å; D203-A215 PolarHBondContact N-O 2.93Å; A206-A215 HydrophobicContact CB-CB 3.76Å; S207-A215 PolarHBondContact OG-N 3Å; S207-A215 PolarHBondContact OG-O 2.67Å | ||
| 216 | L | 98.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 162.2 | 177.4 | -64.2 | 166.5 | 0 | 0 | 0 | 110.8 | V113 L140 L151 L152 N157 R160 V162 E201 I214 | V113-L216 HydrophobicContact CG1-CD2 4.13Å; L140-L216 HydrophobicContact CD2-CD1 3.91Å; L140-L216 HydrophobicContact CD2-CD2 4.22Å; L151-L216 HydrophobicContact CB-CD1 4.18Å; L152-L216 HydrophobicContact CD2-CD1 3.66Å; L152-L216 HydrophobicContact CG-CD1 4.42Å; N157-L216 PolarHBondContact OD1-N 2.92Å; R160-L216 PolarHBondContact NH1-O 2.8Å; R160-L216 VanDerWaalsContact NH1-O 3.15Å; V162-L216 HydrophobicContact CB-CB 4.46Å; V162-L216 WeakPolarHBondContact CG1-O 3.39Å; V162-L216 HydrophobicContact CG2-CB 3.85Å; V162-L216 HydrophobicContact CG2-CD1 4.44Å; E201-L216 CarbonylContact O-C 2.87Å; E201-L216 VanDerWaalsContact O-CA 3.31Å; E201-L216 WeakPolarHBondContact O-CA 3.38Å; I214-L216 HydrophobicContact CG2-CD2 4.19Å; I214-L216 HydrophobicContact CG2-CG 4.46Å |
| 217 | S | 98.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 46 Ų | 46 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 146.1 | 172.4 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | R160 L200 E201 | R160-S217 PolarHBondContact NH1-OG 3.38Å; L200-S217 WeakPolarHBondContact CA-O 3.44Å; E201-S217 PolarHBondContact N-O 3.02Å; E201-S217 PolarHBondContact O-N 3.49Å |
| 218 | D | 98.2 | Very high | 96.1 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.2 | 164.1 | -178.7 | 7.2 | 0 | 0 | 0 | 109.7 | L199 L200 A220 | L199-D218 PolarHBondContact N-OD1 3.39Å; L199-D218 WeakPolarHBondContact O-CA 3.42Å; L200-D218 HydrophobicContact CD2-CB 3.7Å; D218-A220 VanDerWaalsContact OD1-CB 3.31Å; D218-A220 WeakPolarHBondContact OD1-CB 3.43Å; D218-A220 PolarHBondContact OD1-N 3.42Å |
| 219 | V | 98.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | trans | -105.8 | 11.5 | -177.1 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | L199 E201 A221 Q222 A223 | L199-V219 HydrophobicContact CB-CG2 4.3Å; L199-V219 HydrophobicContact CD2-CG2 3.96Å; L199-V219 HydrophobicContact CG-CG2 3.98Å; L199-V219 WeakPolarHBondContact O-CG2 3.35Å; L199-V219 PolarHBondContact O-N 3.35Å; E201-V219 HydrophobicContact CG-CG1 4.05Å; E201-V219 HydrophobicContact CG-CG2 3.85Å; V219-A221 VanDerWaalsContact C-N 3.29Å; V219-A221 PolarHBondContact O-N 3.03Å; V219-Q222 PolarHBondContact O-N 3.19Å; V219-Q222 VanDerWaalsContact O-N 3.07Å; V219-A223 WeakPolarHBondContact O-CB 3.5Å; V219-A223 PolarHBondContact O-N 2.99Å | ||
| 220 | A | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.3 | -41.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | H197 L199 D218 A223 G224 V225 N226 | H197-A220 WeakPolarHBondContact O-CB 3.27Å; L199-A220 HydrophobicContact CB-CB 3.93Å; D218-A220 VanDerWaalsContact OD1-CB 3.31Å; D218-A220 WeakPolarHBondContact OD1-CB 3.43Å; D218-A220 PolarHBondContact OD1-N 3.42Å; A220-A223 PolarHBondContact O-N 2.84Å; A220-G224 PolarHBondContact O-N 3.48Å; A220-V225 HydrophobicContact CB-CG2 4.03Å; A220-V225 PolarHBondContact O-N 2.8Å; A220-N226 HydrophobicContact CB-CB 3.87Å; A220-N226 PolarHBondContact O-N 3.06Å |
| 221 | A | 97.8 | Very high | 96.4 | Very high | 70 Ų | 70 | 39.4 Ų | 39.4 | 58% | 0.579 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -69.3 | -41 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V219 A223 G224 N226 | V219-A221 VanDerWaalsContact C-N 3.29Å; V219-A221 PolarHBondContact O-N 3.03Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A221-G224 PolarHBondContact O-N 2.8Å; A221-N226 HydrophobicContact CB-CB 4.37Å |
| 222 | Q | 98.1 | Very high | 96.7 | Very high | 149 Ų | 149 | 34 Ų | 34 | 70% | 0.696 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -64.8 | -40.3 | 175.6 | 177.2 | -176.6 | -17.2 | 0 | 0 | 111.3 | V219 G224 | V219-Q222 PolarHBondContact O-N 3.19Å; V219-Q222 VanDerWaalsContact O-N 3.07Å; Q222-G224 VanDerWaalsContact C-N 3.29Å; Q222-G224 PolarHBondContact O-N 2.8Å |
| 223 | A | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.3 | -15.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L199 V219 A220 A221 V225 F267 | L199-A223 HydrophobicContact CD2-CB 3.62Å; V219-A223 WeakPolarHBondContact O-CB 3.5Å; V219-A223 PolarHBondContact O-N 2.99Å; A220-A223 PolarHBondContact O-N 2.84Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A223-V225 HydrophobicContact CB-CG2 4.36Å; A223-F267 HydrophobicContact CB-CD2 4.19Å; A223-F267 HydrophobicContact CB-CE2 4.49Å; A223-F267 PolarHBondContact O-N 2.85Å |
| 224 | G | 98.4 | Very high | 97.2 | Very high | 31 Ų | 31 | 30 Ų | 30 | 32% | 0.32 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 20.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A220 A221 Q222 | A220-G224 PolarHBondContact O-N 3.48Å; A221-G224 PolarHBondContact O-N 2.8Å; Q222-G224 VanDerWaalsContact C-N 3.29Å; Q222-G224 PolarHBondContact O-N 2.8Å |
| 225 | V | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -113.3 | 2.1 | -174.2 | -56.2 | 0 | 0 | 0 | 0 | 114.3 | Y185 L199 A220 A223 K227 F259 F267 | Y185-V225 HydrophobicContact CD2-CG2 4.14Å; Y185-V225 HydrophobicContact CE2-CB 3.95Å; Y185-V225 HydrophobicContact CE2-CG2 3.91Å; L199-V225 HydrophobicContact CB-CG2 4.09Å; L199-V225 HydrophobicContact CD2-CG2 3.99Å; A220-V225 HydrophobicContact CB-CG2 4.03Å; A220-V225 PolarHBondContact O-N 2.8Å; A223-V225 HydrophobicContact CB-CG2 4.36Å; V225-K227 PolarHBondContact O-N 3.48Å; V225-F259 HydrophobicContact CB-CD1 4.48Å; V225-F259 HydrophobicContact CB-CE1 4.19Å; V225-F259 HydrophobicContact CB-CE2 4.4Å; V225-F259 HydrophobicContact CB-CZ 4.14Å; V225-F259 HydrophobicContact CG1-CB 4.48Å; V225-F259 HydrophobicContact CG1-CD1 3.89Å; V225-F259 HydrophobicContact CG1-CD2 4.35Å; V225-F259 HydrophobicContact CG1-CE1 4.09Å; V225-F259 HydrophobicContact CG1-CG 4Å; V225-F259 HydrophobicContact CG1-CZ 4.4Å; V225-F267 HydrophobicContact CG1-CB 3.72Å; V225-F267 HydrophobicContact CG1-CD2 3.54Å; V225-F267 HydrophobicContact CG1-CE2 4.31Å; V225-F267 HydrophobicContact CG1-CG 3.72Å | ||
| 226 | N | 96.8 | Very high | 97.2 | Very high | 73 Ų | 73 | 30 Ų | 30 | 39% | 0.39 | 17% | 0.174 | S | C | . | . | trans | -73.1 | 58.9 | -177.6 | 67.1 | -39.9 | 0 | 0 | 0 | 114.2 | P196 A220 A221 | P196-N226 HydrophobicContact CB-CB 4.33Å; A220-N226 HydrophobicContact CB-CB 3.87Å; A220-N226 PolarHBondContact O-N 3.06Å; A221-N226 HydrophobicContact CB-CB 4.37Å | ||
| 227 | K | 96.2 | Very high | 97.1 | Very high | 61 Ų | 61 | 29.9 Ų | 29.9 | 27% | 0.265 | 17% | 0.173 | S | C | . | . | trans | -78.4 | 153.3 | -178.7 | -60.7 | -70.2 | 175.8 | 138.8 | 0 | 112.1 | P196 H197 V225 F257 F259 D269 | P196-K227 CarbonylContact C-O 3.54Å; P196-K227 VanDerWaalsContact CA-O 3.24Å; P196-K227 WeakPolarHBondContact CA-O 3.35Å; H197-K227 PolarHBondContact CD2-O 3.18Å; H197-K227 PolarHBondContact N-O 2.84Å; V225-K227 PolarHBondContact O-N 3.48Å; K227-F257 HydrophobicContact CB-CD2 4.08Å; K227-F257 HydrophobicContact CB-CE1 4.46Å; K227-F257 HydrophobicContact CB-CE2 3.32Å; K227-F257 HydrophobicContact CB-CZ 3.57Å; K227-F257 HydrophobicContact CD-CE1 4.35Å; K227-F257 HydrophobicContact CD-CZ 4.26Å; K227-F257 HydrophobicContact CG-CD1 4.49Å; K227-F257 HydrophobicContact CG-CD2 3.92Å; K227-F257 HydrophobicContact CG-CE1 4.23Å; K227-F257 HydrophobicContact CG-CE2 3.6Å; K227-F257 HydrophobicContact CG-CG 4.36Å; K227-F257 HydrophobicContact CG-CZ 3.79Å; K227-F259 HydrophobicContact CD-CZ 4.47Å; K227-F259 HydrophobicContact CG-CE1 4.13Å; K227-F259 HydrophobicContact CG-CZ 3.59Å; K227-D269 IonicContact NZ-OD2 2.79Å; K227-D269 PolarHBondContact NZ-OD2 3.21Å | ||
| 228 | L | 94.3 | Very high | 97 | Very high | 84 Ų | 84 | 28.3 Ų | 28.3 | 44% | 0.44 | 16% | 0.162 | S | C | . | . | trans | -111.1 | 100.9 | 175.2 | -72 | 161.2 | 0 | 0 | 0 | 108.7 | A190 P196 | A190-L228 HydrophobicContact CB-CB 4.13Å; A190-L228 HydrophobicContact CB-CD2 3.81Å; P196-L228 HydrophobicContact CB-CD2 3.95Å; P196-L228 HydrophobicContact CB-CG 4.27Å | ||
| 229 | T | 94.6 | Very high | 97 | Very high | 16 Ų | 16 | 24.3 Ų | 24.3 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -155.3 | 178.5 | 177.5 | -166.2 | 0 | 0 | 0 | 0 | 110.6 | N188 A190 G231 N251 F257 | N188-T229 VanDerWaalsContact O-O 3.04Å; A190-T229 WeakPolarHBondContact CB-O 3.17Å; A190-T229 PolarHBondContact N-O 3.37Å; T229-G231 VanDerWaalsContact C-N 3.31Å; T229-G231 PolarHBondContact O-N 3.45Å; T229-G231 VanDerWaalsContact O-N 3.12Å; T229-N251 HydrophobicContact CG2-CB 4.13Å; T229-N251 VanDerWaalsContact CG2-OD1 3.28Å; T229-N251 WeakPolarHBondContact CG2-OD1 3.39Å; T229-F257 HydrophobicContact CG2-CE2 3.39Å; T229-F257 HydrophobicContact CG2-CZ 3.59Å |
| 230 | G | 94.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 5% | 0.052 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 77.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E252 | G230-E252 WeakPolarHBondContact CA-O 3.44Å; G230-E252 PolarHBondContact N-O 2.85Å; G230-E252 PolarHBondContact O-N 2.88Å |
| 231 | G | 94.9 | Very high | 96 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.2 | 139.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R169 N188 T229 N251 | R169-G231 WeakPolarHBondContact CB-O 3.48Å; N188-G231 PolarHBondContact O-N 3.26Å; N188-G231 VanDerWaalsContact O-N 3.1Å; T229-G231 VanDerWaalsContact C-N 3.31Å; T229-G231 PolarHBondContact O-N 3.45Å; T229-G231 VanDerWaalsContact O-N 3.12Å; G231-N251 WeakPolarHBondContact CA-OD1 3.21Å |
| 232 | R | 95.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | -129.5 | 173.6 | -71.5 | -65 | -171.1 | -75.8 | -4.6 | 109.2 | Y130 S170 Y189 D250 E252 G283 Y471 | Y130-R232 PolarHBondContact OH-NH2 3.01Å; S170-R232 WeakPolarHBondContact CB-O 3.29Å; Y189-R232 VanDerWaalsContact CE2-NH2 3.29Å; R232-D250 CarbonylContact C-O 3.57Å; R232-D250 WeakPolarHBondContact CA-O 3.36Å; R232-D250 WeakPolarHBondContact CB-O 3.13Å; R232-D250 WeakPolarHBondContact CB-OD1 3.48Å; R232-D250 PolarHBondContact N-O 2.66Å; R232-D250 VanDerWaalsContact N-O 3.14Å; R232-E252 HydrophobicContact CG-CB 4.1Å; R232-E252 IonicContact CZ-OE2 3.38Å; R232-E252 IonicContact NH1-OE2 3.08Å; R232-E252 IonicContact NH2-OE1 2.81Å; R232-E252 PolarHBondContact NH2-OE1 3.32Å; R232-E252 IonicContact NH2-OE2 3.79Å; R232-E252 PolarHBondContact NH2-OE2 3.33Å; R232-G283 WeakPolarHBondContact CB-O 3Å; R232-G283 WeakPolarHBondContact CG-O 2.87Å; R232-Y471 HydrophobicContact CB-CE2 4.21Å; R232-Y471 VanDerWaalsContact CD-CE2 3.46Å; R232-Y471 WeakPolarHBondContact CD-OH 3.3Å; R232-Y471 HydrophobicContact CG-CE2 4.48Å |
| 233 | G | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 142.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112 | C249 D250 R284 | G233-C249 CarbonylContact O-C 3.52Å; G233-C249 VanDerWaalsContact O-CA 3.28Å; G233-C249 WeakPolarHBondContact O-CA 3.25Å; G233-D250 WeakPolarHBondContact CA-OD1 3.32Å; G233-D250 PolarHBondContact N-OD1 2.87Å; G233-D250 PolarHBondContact O-N 2.76Å; G233-R284 WeakPolarHBondContact CA-O 3.45Å; G233-R284 PolarHBondContact N-O 3.49Å; G233-R284 VanDerWaalsContact N-O 3.08Å |
| 234 | V | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | A172 Y185 A187 V236 V247 F248 G468 | A172-V234 HydrophobicContact CB-CB 4.15Å; A172-V234 HydrophobicContact CB-CG1 3.57Å; Y185-V234 HydrophobicContact CD1-CB 4.43Å; Y185-V234 HydrophobicContact CD1-CG1 3.69Å; Y185-V234 HydrophobicContact CD1-CG2 3.94Å; Y185-V234 HydrophobicContact CE1-CB 4.5Å; Y185-V234 HydrophobicContact CE1-CG1 3.93Å; Y185-V234 HydrophobicContact CE1-CG2 3.68Å; A187-V234 HydrophobicContact CB-CG2 3.53Å; V234-V236 HydrophobicContact CG1-CG2 4.42Å; V234-V247 HydrophobicContact CG1-CG1 3.71Å; V234-F248 WeakPolarHBondContact CA-O 3.33Å; V234-G468 CarbonylContact O-C 3.44Å |
| 235 | V | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.5 | 169.6 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | F248 V286 L288 D466 G468 | V235-F248 HydrophobicContact CG1-CB 3.91Å; V235-F248 HydrophobicContact CG1-CD1 4.28Å; V235-F248 PolarHBondContact N-O 2.94Å; V235-F248 PolarHBondContact O-N 3.1Å; V235-V286 HydrophobicContact CB-CG1 3.87Å; V235-V286 HydrophobicContact CB-CG2 4.23Å; V235-V286 HydrophobicContact CG1-CB 4.38Å; V235-V286 HydrophobicContact CG1-CG1 3.93Å; V235-V286 HydrophobicContact CG1-CG2 3.55Å; V235-L288 HydrophobicContact CB-CG 4.37Å; V235-L288 HydrophobicContact CG1-CD1 4.24Å; V235-L288 HydrophobicContact CG1-CD2 3.93Å; V235-L288 HydrophobicContact CG1-CG 3.92Å; V235-L288 HydrophobicContact CG2-CB 4.39Å; V235-L288 HydrophobicContact CG2-CD1 3.61Å; V235-L288 HydrophobicContact CG2-CD2 4.39Å; V235-L288 HydrophobicContact CG2-CG 3.47Å; V235-L288 VanDerWaalsContact CG2-CG 3.47Å; V235-D466 HydrophobicContact CG2-CB 4Å; V235-G468 WeakPolarHBondContact CA-O 3.25Å; V235-G468 WeakPolarHBondContact CB-O 3.4Å; V235-G468 WeakPolarHBondContact CG2-O 3.47Å |
| 236 | V | 98.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130 | -174.6 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | A172 C173 V174 V234 D246 V247 D466 G467 | A172-V236 HydrophobicContact CB-CG2 3.6Å; C173-V236 WeakPolarHBondContact O-CG2 3.14Å; V174-V236 HydrophobicContact CB-CG1 4.39Å; V174-V236 HydrophobicContact CG1-CG1 4.1Å; V174-V236 HydrophobicContact CG2-CG1 4.24Å; V174-V236 HydrophobicContact CG2-CG2 3.81Å; V234-V236 HydrophobicContact CG1-CG2 4.42Å; V236-D246 WeakPolarHBondContact CA-O 3.25Å; V236-V247 HydrophobicContact CG2-CG1 4.29Å; V236-V247 HydrophobicContact CG2-CG2 4.21Å; V236-D466 VanDerWaalsContact O-CA 3.27Å; V236-D466 WeakPolarHBondContact O-CA 3.21Å; V236-D466 WeakPolarHBondContact O-CB 3.18Å; V236-G467 PolarHBondContact O-N 3.07Å |
| 237 | G | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -175.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I239 D246 | G237-I239 PolarHBondContact O-N 3.01Å; G237-D246 PolarHBondContact N-O 2.76Å; G237-D246 WeakPolarHBondContact O-CB 3.47Å; G237-D246 PolarHBondContact O-N 2.69Å |
| 238 | P | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -77.6 | 61.4 | -177.3 | 27.4 | -27.8 | 0 | 0 | 0 | 113.6 | Q242 R244 T297 K450 | P238-Q242 WeakPolarHBondContact CB-O 3.34Å; P238-R244 WeakPolarHBondContact CA-O 3.18Å; P238-T297 PolarHBondContact O-OG1 3.33Å; P238-K450 HydrophobicContact CG-CB 3.86Å; P238-K450 HydrophobicContact CG-CD 4.45Å |
| 239 | I | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -56.9 | -169 | -58.1 | 172.8 | 0 | 0 | 0 | 112 | G237 D246 F248 L258 L288 T297 I299 Q313 F319 | G237-I239 PolarHBondContact O-N 3.01Å; I239-D246 HydrophobicContact CB-CB 3.97Å; I239-D246 HydrophobicContact CD1-CB 4.36Å; I239-D246 HydrophobicContact CG1-CB 4.28Å; I239-D246 PolarHBondContact N-OD2 2.86Å; I239-F248 HydrophobicContact CD1-CB 3.68Å; I239-L258 HydrophobicContact CB-CD1 4.29Å; I239-L258 HydrophobicContact CD1-CD1 3.92Å; I239-L258 HydrophobicContact CG2-CD1 3.84Å; I239-L258 HydrophobicContact CG2-CD2 4.5Å; I239-L288 HydrophobicContact CD1-CD1 4.11Å; I239-L288 HydrophobicContact CD1-CD2 4.09Å; I239-L288 HydrophobicContact CG1-CD1 3.8Å; I239-L288 HydrophobicContact CG1-CD2 4.02Å; I239-T297 HydrophobicContact CB-CG2 4.45Å; I239-T297 HydrophobicContact CG1-CG2 4.1Å; I239-I299 HydrophobicContact CG2-CD1 4.03Å; I239-I299 HydrophobicContact CG2-CG1 4.42Å; I239-Q313 PolarHBondContact O-NE2 2.84Å; I239-Q313 PolarHBondContact O-OE1 2.71Å; I239-F319 HydrophobicContact CG2-CE1 4.47Å; I239-F319 HydrophobicContact CG2-CE2 4.46Å; I239-F319 HydrophobicContact CG2-CZ 3.66Å |
| 240 | L | 94.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -34.2 | -172.5 | -66.7 | 170.7 | 0 | 0 | 0 | 112.9 | D246 L258 K260 M270 N316 F317 F319 | L240-D246 WeakPolarHBondContact CA-OD2 3.29Å; L240-D246 WeakPolarHBondContact CB-OD2 3.05Å; L240-D246 PolarHBondContact N-OD2 3.33Å; L240-L258 HydrophobicContact CD1-CD1 4.39Å; L240-L258 HydrophobicContact CD1-CD2 3.8Å; L240-L258 HydrophobicContact CD1-CG 3.86Å; L240-L258 HydrophobicContact CD2-CD2 3.82Å; L240-L258 HydrophobicContact CG-CD2 3.95Å; L240-L258 HydrophobicContact CG-CG 4.34Å; L240-K260 HydrophobicContact CD1-CB 3.64Å; L240-K260 HydrophobicContact CD1-CD 4.26Å; L240-K260 HydrophobicContact CD1-CG 3.99Å; L240-M270 HydrophobicContact CD1-CB 4.12Å; L240-M270 HydrophobicContact CD1-CG 4.28Å; L240-N316 WeakPolarHBondContact CD2-O 3.42Å; L240-N316 WeakPolarHBondContact O-CB 3.32Å; L240-F317 HydrophobicContact CB-CE1 4.46Å; L240-F317 HydrophobicContact CD2-CD1 4.28Å; L240-F319 HydrophobicContact CD2-CE2 3.85Å; L240-F319 HydrophobicContact CD2-CZ 4.32Å |
| 241 | N | 82.1 | Confident | 95.3 | Very high | 34 Ų | 34 | 11.5 Ų | 11.5 | 18% | 0.182 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 17 | -171.4 | 63.5 | 41.3 | 0 | 0 | 0 | 114.2 | M243 R244 D246 | N241-M243 PolarHBondContact O-N 3.4Å; N241-M243 PolarHBondContact OD1-N 3.5Å; N241-R244 WeakPolarHBondContact ND2-CB 3.42Å; N241-R244 WeakPolarHBondContact OD1-CA 3.24Å; N241-R244 VanDerWaalsContact OD1-CB 3.23Å; N241-R244 WeakPolarHBondContact OD1-CB 3.49Å; N241-R244 PolarHBondContact OD1-N 3.2Å; N241-R244 PolarHBondContact OD1-O 2.92Å; N241-D246 PolarHBondContact N-OD2 2.91Å; N241-D246 PolarHBondContact ND2-OD1 2.72Å; N241-D246 PolarHBondContact ND2-OD2 3.08Å |
| 242 | Q | 85 | Confident | 95.3 | Very high | 35 Ų | 35 | 12.2 Ų | 12.2 | 16% | 0.164 | 6% | 0.055 | C | C | . | . | S | Bend | trans | 61.6 | -10.4 | 171.8 | -61.9 | -64.1 | -36.7 | 0 | 0 | 116.9 | P238 G295 Q313 K450 | P238-Q242 WeakPolarHBondContact CB-O 3.34Å; Q242-G295 PolarHBondContact OE1-O 3.01Å; Q242-G295 VanDerWaalsContact OE1-O 3.08Å; Q242-Q313 VanDerWaalsContact NE2-OE1 3.16Å; Q242-K450 VanDerWaalsContact O-CE 3.26Å; Q242-K450 WeakPolarHBondContact O-CE 3.38Å; Q242-K450 PolarHBondContact O-NZ 3.4Å |
| 243 | M | 88.9 | Confident | 95 | Very high | 71 Ų | 71 | 17.3 Ų | 17.3 | 35% | 0.35 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -137.5 | -42.9 | -178.4 | -63.8 | -178.1 | -65.9 | 0 | 0 | 113.5 | N241 P496 | N241-M243 PolarHBondContact O-N 3.4Å; N241-M243 PolarHBondContact OD1-N 3.5Å; M243-P496 WeakPolarHBondContact O-CA 3.43Å |
| 244 | R | 94.9 | Very high | 94.8 | Very high | 93 Ų | 93 | 17.8 Ų | 17.8 | 35% | 0.351 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -84.2 | 151.8 | -171.9 | -47.5 | 176.7 | 164.3 | 175.6 | -11.6 | 111.9 | P238 N241 D246 N261 N262 G263 | P238-R244 WeakPolarHBondContact CA-O 3.18Å; N241-R244 WeakPolarHBondContact ND2-CB 3.42Å; N241-R244 WeakPolarHBondContact OD1-CA 3.24Å; N241-R244 VanDerWaalsContact OD1-CB 3.23Å; N241-R244 WeakPolarHBondContact OD1-CB 3.49Å; N241-R244 PolarHBondContact OD1-N 3.2Å; N241-R244 PolarHBondContact OD1-O 2.92Å; R244-D246 PolarHBondContact O-N 2.8Å; R244-N261 HydrophobicContact CB-CB 4.27Å; R244-N262 PolarHBondContact NH1-O 2.85Å; R244-G263 VanDerWaalsContact NH1-N 3.12Å |
| 245 | S | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -64.7 | 93.7 | 174.1 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | D175 N261 | D175-S245 VanDerWaalsContact O-CB 3.26Å; D175-S245 WeakPolarHBondContact O-CB 3.5Å; D175-S245 PolarHBondContact O-OG 2.86Å; S245-N261 WeakPolarHBondContact O-CB 3.41Å; S245-N261 PolarHBondContact O-ND2 2.97Å | ||
| 246 | D | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 155.6 | 163.6 | -62.5 | -40.2 | 0 | 0 | 0 | 109 | V236 G237 I239 L240 N241 R244 F259 K260 N261 | V236-D246 WeakPolarHBondContact CA-O 3.25Å; G237-D246 PolarHBondContact N-O 2.76Å; G237-D246 WeakPolarHBondContact O-CB 3.47Å; G237-D246 PolarHBondContact O-N 2.69Å; I239-D246 HydrophobicContact CB-CB 3.97Å; I239-D246 HydrophobicContact CD1-CB 4.36Å; I239-D246 HydrophobicContact CG1-CB 4.28Å; I239-D246 PolarHBondContact N-OD2 2.86Å; L240-D246 WeakPolarHBondContact CA-OD2 3.29Å; L240-D246 WeakPolarHBondContact CB-OD2 3.05Å; L240-D246 PolarHBondContact N-OD2 3.33Å; N241-D246 PolarHBondContact N-OD2 2.91Å; N241-D246 PolarHBondContact ND2-OD1 2.72Å; N241-D246 PolarHBondContact ND2-OD2 3.08Å; R244-D246 PolarHBondContact O-N 2.8Å; D246-F259 WeakPolarHBondContact CA-O 3.32Å; D246-F259 WeakPolarHBondContact CB-O 3.39Å; D246-K260 WeakPolarHBondContact OD1-CA 3.47Å; D246-N261 PolarHBondContact OD1-N 2.94Å |
| 247 | V | 98.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.8 | -179 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | V174 Y185 V234 V236 L258 F259 F267 | V174-V247 HydrophobicContact CG1-CG2 4.03Å; V174-V247 HydrophobicContact CG2-CG2 4.04Å; Y185-V247 HydrophobicContact CD1-CG1 4.45Å; Y185-V247 HydrophobicContact CE1-CG1 4.38Å; V234-V247 HydrophobicContact CG1-CG1 3.71Å; V236-V247 HydrophobicContact CG2-CG1 4.29Å; V236-V247 HydrophobicContact CG2-CG2 4.21Å; V247-L258 CarbonylContact O-C 3.53Å; V247-F259 HydrophobicContact CB-CB 4.14Å; V247-F259 HydrophobicContact CB-CD2 4.16Å; V247-F259 HydrophobicContact CG1-CD2 4.4Å; V247-F259 PolarHBondContact N-O 2.91Å; V247-F259 PolarHBondContact O-N 3.17Å; V247-F267 HydrophobicContact CG2-CE1 4.15Å; V247-F267 HydrophobicContact CG2-CZ 4.43Å |
| 248 | F | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.5 | 168.6 | 179.7 | -94.1 | 0 | 0 | 0 | 109.8 | V234 V235 I239 D250 N256 F257 L258 V276 V286 I299 Y301 | V234-F248 WeakPolarHBondContact CA-O 3.33Å; V235-F248 HydrophobicContact CG1-CB 3.91Å; V235-F248 HydrophobicContact CG1-CD1 4.28Å; V235-F248 PolarHBondContact N-O 2.94Å; V235-F248 PolarHBondContact O-N 3.1Å; I239-F248 HydrophobicContact CD1-CB 3.68Å; F248-D250 HydrophobicContact CE1-CB 4.03Å; F248-N256 HydrophobicContact CE2-CB 4.22Å; F248-N256 HydrophobicContact CZ-CB 4.13Å; F248-F257 WeakPolarHBondContact CA-O 3.37Å; F248-F257 WeakPolarHBondContact CD2-O 3.48Å; F248-L258 HydrophobicContact CB-CD1 4.06Å; F248-L258 HydrophobicContact CD2-CB 4.16Å; F248-L258 HydrophobicContact CD2-CD1 4.15Å; F248-V276 HydrophobicContact CD2-CG2 4.36Å; F248-V276 HydrophobicContact CE2-CB 4.01Å; F248-V276 HydrophobicContact CE2-CG2 3.82Å; F248-V286 HydrophobicContact CD1-CG2 3.83Å; F248-V286 HydrophobicContact CE1-CG2 4.04Å; F248-I299 HydrophobicContact CD1-CG2 4.15Å; F248-I299 HydrophobicContact CD2-CD1 3.92Å; F248-I299 HydrophobicContact CE1-CG2 4Å; F248-I299 HydrophobicContact CE2-CD1 4.24Å; F248-I299 HydrophobicContact CG-CD1 4.2Å; F248-I299 HydrophobicContact CZ-CG2 4.32Å; F248-Y301 HydrophobicContact CE1-CD1 4.14Å; F248-Y301 HydrophobicContact CE1-CE1 4.4Å; F248-Y301 HydrophobicContact CZ-CD1 4.18Å; F248-Y301 AromaticContact CZ-CE1 3.99Å; F248-Y301 HydrophobicContact CZ-CE1 3.99Å |
| 249 | C | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.3 | 175.2 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | Y185 G233 N256 F257 | Y185-C249 VanDerWaalsContact CE1-SG 3.54Å; Y185-C249 PolarHBondContact OH-SG 3.1Å; G233-C249 CarbonylContact O-C 3.52Å; G233-C249 VanDerWaalsContact O-CA 3.28Å; G233-C249 WeakPolarHBondContact O-CA 3.25Å; C249-N256 CarbonylContact O-C 3.56Å; C249-N256 VanDerWaalsContact O-CA 3.25Å; C249-N256 WeakPolarHBondContact O-CA 3.42Å; C249-N256 VanDerWaalsContact O-CB 3.32Å; C249-N256 WeakPolarHBondContact O-CB 3.29Å; C249-F257 HydrophobicContact CB-CB 4.26Å; C249-F257 HydrophobicContact CB-CD2 4.22Å; C249-F257 PolarHBondContact N-O 2.99Å; C249-F257 PolarHBondContact O-N 2.93Å |
| 250 | D | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 146.7 | 162.5 | 79.8 | 30.3 | 0 | 0 | 0 | 109.8 | R232 G233 F248 N256 G283 R284 Y301 | R232-D250 CarbonylContact C-O 3.57Å; R232-D250 WeakPolarHBondContact CA-O 3.36Å; R232-D250 WeakPolarHBondContact CB-O 3.13Å; R232-D250 WeakPolarHBondContact CB-OD1 3.48Å; R232-D250 PolarHBondContact N-O 2.66Å; R232-D250 VanDerWaalsContact N-O 3.14Å; G233-D250 WeakPolarHBondContact CA-OD1 3.32Å; G233-D250 PolarHBondContact N-OD1 2.87Å; G233-D250 PolarHBondContact O-N 2.76Å; F248-D250 HydrophobicContact CE1-CB 4.03Å; D250-N256 VanDerWaalsContact CA-OD1 3.3Å; D250-N256 WeakPolarHBondContact CA-OD1 3.09Å; D250-G283 VanDerWaalsContact CG-C 3.46Å; D250-G283 WeakPolarHBondContact OD1-CA 3.25Å; D250-R284 PolarHBondContact OD1-N 2.77Å; D250-R284 VanDerWaalsContact OD2-C 3.25Å; D250-R284 PolarHBondContact OD2-N 2.78Å; D250-Y301 HydrophobicContact CB-CD2 4.23Å |
| 251 | N | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 160.7 | -169 | -67.7 | -53 | 0 | 0 | 0 | 112 | T229 G231 A255 N256 F257 G283 | T229-N251 HydrophobicContact CG2-CB 4.13Å; T229-N251 VanDerWaalsContact CG2-OD1 3.28Å; T229-N251 WeakPolarHBondContact CG2-OD1 3.39Å; G231-N251 WeakPolarHBondContact CA-OD1 3.21Å; N251-A255 PolarHBondContact ND2-O 2.94Å; N251-N256 PolarHBondContact N-OD1 3.08Å; N251-N256 WeakPolarHBondContact ND2-CA 3.43Å; N251-F257 VanDerWaalsContact ND2-CD2 3.27Å; N251-F257 WeakPolarHBondContact ND2-CD2 3.31Å; N251-F257 VanDerWaalsContact ND2-CE2 3.28Å; N251-F257 WeakPolarHBondContact ND2-CE2 3.49Å; N251-G283 PolarHBondContact O-N 2.77Å |
| 252 | E | 94.7 | Very high | 95.8 | Very high | 15 Ų | 15 | 23.1 Ų | 23.1 | 7% | 0.07 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.9 | 170.8 | -167.5 | -179 | -112.8 | 0 | 0 | 110.5 | Y130 Y189 G230 R232 G254 H282 R284 | Y130-E252 PolarHBondContact OH-OE2 3Å; Y189-E252 WeakPolarHBondContact CE2-OE2 3.43Å; Y189-E252 VanDerWaalsContact CZ-OE2 3.29Å; Y189-E252 PolarHBondContact OH-OE2 3.48Å; G230-E252 WeakPolarHBondContact CA-O 3.44Å; G230-E252 PolarHBondContact N-O 2.85Å; G230-E252 PolarHBondContact O-N 2.88Å; R232-E252 HydrophobicContact CG-CB 4.1Å; R232-E252 IonicContact CZ-OE2 3.38Å; R232-E252 IonicContact NH1-OE2 3.08Å; R232-E252 IonicContact NH2-OE1 2.81Å; R232-E252 PolarHBondContact NH2-OE1 3.32Å; R232-E252 IonicContact NH2-OE2 3.79Å; R232-E252 PolarHBondContact NH2-OE2 3.33Å; E252-G254 VanDerWaalsContact C-N 3.25Å; E252-G254 PolarHBondContact O-N 3.14Å; E252-H282 HydrophobicContact CG-CB 4.14Å; E252-H282 VanDerWaalsContact CG-ND1 3.31Å; E252-H282 WeakPolarHBondContact CG-ND1 3.44Å; E252-R284 IonicContact OE1-CZ 3.79Å; E252-R284 IonicContact OE1-NH1 2.89Å; E252-R284 PolarHBondContact OE1-NH1 2.92Å; E252-R284 IonicContact OE1-NH2 3.31Å; E252-R284 PolarHBondContact OE1-NH2 2.53Å |
| 253 | N | 90 | Very high | 96.3 | Very high | 111 Ų | 111 | 23.3 Ų | 23.3 | 59% | 0.594 | 13% | 0.127 | S | C | * | . | S | Bend | trans | 61.5 | 30.9 | 176.5 | -57.5 | -44.2 | 0 | 0 | 0 | 113.4 | Y189 H282 | Y189-N253 PolarHBondContact OH-ND2 2.76Å; Y189-N253 VanDerWaalsContact OH-ND2 3.1Å; N253-H282 PolarHBondContact OD1-CE1 2.87Å; N253-H282 VanDerWaalsContact OD1-CE1 3.27Å |
| 254 | G | 92.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 11% | 0.113 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -174.1 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E252 | E252-G254 VanDerWaalsContact C-N 3.25Å; E252-G254 PolarHBondContact O-N 3.14Å |
| 255 | A | 96.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 20.8 Ų | 20.8 | 17% | 0.165 | 12% | 0.122 | C | C | . | . | trans | -73.6 | 144.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | N251 F257 E277 R279 | N251-A255 PolarHBondContact ND2-O 2.94Å; A255-F257 WeakPolarHBondContact O-CE1 3.42Å; A255-E277 CarbonylContact C-O 3.57Å; A255-E277 VanDerWaalsContact CA-O 3.29Å; A255-E277 WeakPolarHBondContact CA-O 3.15Å; A255-E277 HydrophobicContact CB-CB 4.17Å; A255-R279 HydrophobicContact CB-CB 4.29Å; A255-R279 HydrophobicContact CB-CG 4.24Å | ||
| 256 | N | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -61.1 | 156.8 | 160.7 | -63.6 | -16.9 | 0 | 0 | 0 | 110.1 | F248 C249 D250 N251 A271 V276 E277 Y301 | F248-N256 HydrophobicContact CE2-CB 4.22Å; F248-N256 HydrophobicContact CZ-CB 4.13Å; C249-N256 CarbonylContact O-C 3.56Å; C249-N256 VanDerWaalsContact O-CA 3.25Å; C249-N256 WeakPolarHBondContact O-CA 3.42Å; C249-N256 VanDerWaalsContact O-CB 3.32Å; C249-N256 WeakPolarHBondContact O-CB 3.29Å; D250-N256 VanDerWaalsContact CA-OD1 3.3Å; D250-N256 WeakPolarHBondContact CA-OD1 3.09Å; N251-N256 PolarHBondContact N-OD1 3.08Å; N251-N256 WeakPolarHBondContact ND2-CA 3.43Å; N256-A271 WeakPolarHBondContact O-CB 3.4Å; N256-V276 WeakPolarHBondContact CB-O 3.39Å; N256-V276 PolarHBondContact ND2-O 3.24Å; N256-E277 PolarHBondContact N-O 2.85Å; N256-Y301 PolarHBondContact ND2-OH 2.78Å | ||
| 257 | F | 98.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 23.5 Ų | 23.5 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145 | 175.9 | -51.4 | -43.9 | 0 | 0 | 0 | 110.4 | H197 K227 T229 F248 C249 N251 A255 F259 D269 | H197-F257 AromaticContact CE1-CE2 3.79Å; K227-F257 HydrophobicContact CB-CD2 4.08Å; K227-F257 HydrophobicContact CB-CE1 4.46Å; K227-F257 HydrophobicContact CB-CE2 3.32Å; K227-F257 HydrophobicContact CB-CZ 3.57Å; K227-F257 HydrophobicContact CD-CE1 4.35Å; K227-F257 HydrophobicContact CD-CZ 4.26Å; K227-F257 HydrophobicContact CG-CD1 4.49Å; K227-F257 HydrophobicContact CG-CD2 3.92Å; K227-F257 HydrophobicContact CG-CE1 4.23Å; K227-F257 HydrophobicContact CG-CE2 3.6Å; K227-F257 HydrophobicContact CG-CG 4.36Å; K227-F257 HydrophobicContact CG-CZ 3.79Å; T229-F257 HydrophobicContact CG2-CE2 3.39Å; T229-F257 HydrophobicContact CG2-CZ 3.59Å; F248-F257 WeakPolarHBondContact CA-O 3.37Å; F248-F257 WeakPolarHBondContact CD2-O 3.48Å; C249-F257 HydrophobicContact CB-CB 4.26Å; C249-F257 HydrophobicContact CB-CD2 4.22Å; C249-F257 PolarHBondContact N-O 2.99Å; C249-F257 PolarHBondContact O-N 2.93Å; N251-F257 VanDerWaalsContact ND2-CD2 3.27Å; N251-F257 WeakPolarHBondContact ND2-CD2 3.31Å; N251-F257 VanDerWaalsContact ND2-CE2 3.28Å; N251-F257 WeakPolarHBondContact ND2-CE2 3.49Å; A255-F257 WeakPolarHBondContact O-CE1 3.42Å; F257-F259 HydrophobicContact CB-CD2 4.06Å; F257-F259 HydrophobicContact CB-CE1 4.44Å; F257-F259 HydrophobicContact CB-CE2 3.53Å; F257-F259 HydrophobicContact CB-CZ 3.77Å; F257-F259 AromaticContact CD2-CE2 3.95Å; F257-F259 HydrophobicContact CD2-CE2 3.95Å; F257-F259 AromaticContact CD2-CZ 3.91Å; F257-F259 HydrophobicContact CD2-CZ 3.91Å; F257-F259 HydrophobicContact CG-CE2 4.06Å; F257-F259 AromaticContact CG-CZ 3.95Å; F257-F259 HydrophobicContact CG-CZ 3.95Å; F257-D269 WeakPolarHBondContact CD1-OD2 3.42Å |
| 258 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 91.2 | 170.9 | 177.8 | 57 | 0 | 0 | 0 | 107.4 | I239 L240 V247 F248 K260 D269 M270 A271 A274 V276 F319 | I239-L258 HydrophobicContact CB-CD1 4.29Å; I239-L258 HydrophobicContact CD1-CD1 3.92Å; I239-L258 HydrophobicContact CG2-CD1 3.84Å; I239-L258 HydrophobicContact CG2-CD2 4.5Å; L240-L258 HydrophobicContact CD1-CD1 4.39Å; L240-L258 HydrophobicContact CD1-CD2 3.8Å; L240-L258 HydrophobicContact CD1-CG 3.86Å; L240-L258 HydrophobicContact CD2-CD2 3.82Å; L240-L258 HydrophobicContact CG-CD2 3.95Å; L240-L258 HydrophobicContact CG-CG 4.34Å; V247-L258 CarbonylContact O-C 3.53Å; F248-L258 HydrophobicContact CB-CD1 4.06Å; F248-L258 HydrophobicContact CD2-CB 4.16Å; F248-L258 HydrophobicContact CD2-CD1 4.15Å; L258-K260 PolarHBondContact O-N 3.45Å; L258-D269 PolarHBondContact N-OD1 2.78Å; L258-M270 PolarHBondContact O-N 3.09Å; L258-A271 HydrophobicContact CB-CB 4.14Å; L258-A274 HydrophobicContact CD2-CB 3.89Å; L258-V276 HydrophobicContact CB-CG2 4.1Å; L258-V276 HydrophobicContact CD2-CG2 3.98Å; L258-F319 HydrophobicContact CD2-CE2 3.89Å |
| 259 | F | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 104 | -179.3 | -63.7 | -68.1 | 0 | 0 | 0 | 109.9 | Y185 V225 K227 D246 V247 F257 F267 V268 D269 | Y185-F259 WeakPolarHBondContact OH-CE2 3.49Å; V225-F259 HydrophobicContact CB-CD1 4.48Å; V225-F259 HydrophobicContact CB-CE1 4.19Å; V225-F259 HydrophobicContact CB-CE2 4.4Å; V225-F259 HydrophobicContact CB-CZ 4.14Å; V225-F259 HydrophobicContact CG1-CB 4.48Å; V225-F259 HydrophobicContact CG1-CD1 3.89Å; V225-F259 HydrophobicContact CG1-CD2 4.35Å; V225-F259 HydrophobicContact CG1-CE1 4.09Å; V225-F259 HydrophobicContact CG1-CG 4Å; V225-F259 HydrophobicContact CG1-CZ 4.4Å; K227-F259 HydrophobicContact CD-CZ 4.47Å; K227-F259 HydrophobicContact CG-CE1 4.13Å; K227-F259 HydrophobicContact CG-CZ 3.59Å; D246-F259 WeakPolarHBondContact CA-O 3.32Å; D246-F259 WeakPolarHBondContact CB-O 3.39Å; V247-F259 HydrophobicContact CB-CB 4.14Å; V247-F259 HydrophobicContact CB-CD2 4.16Å; V247-F259 HydrophobicContact CG1-CD2 4.4Å; V247-F259 PolarHBondContact N-O 2.91Å; V247-F259 PolarHBondContact O-N 3.17Å; F257-F259 HydrophobicContact CB-CD2 4.06Å; F257-F259 HydrophobicContact CB-CE1 4.44Å; F257-F259 HydrophobicContact CB-CE2 3.53Å; F257-F259 HydrophobicContact CB-CZ 3.77Å; F257-F259 AromaticContact CD2-CE2 3.95Å; F257-F259 HydrophobicContact CD2-CE2 3.95Å; F257-F259 AromaticContact CD2-CZ 3.91Å; F257-F259 HydrophobicContact CD2-CZ 3.91Å; F257-F259 HydrophobicContact CG-CE2 4.06Å; F257-F259 AromaticContact CG-CZ 3.95Å; F257-F259 HydrophobicContact CG-CZ 3.95Å; F259-F267 HydrophobicContact CB-CB 3.95Å; F259-F267 HydrophobicContact CB-CD1 3.67Å; F259-F267 HydrophobicContact CB-CG 4.06Å; F259-F267 HydrophobicContact CD1-CB 4.23Å; F259-F267 HydrophobicContact CG-CB 4.47Å; F259-V268 WeakPolarHBondContact CA-O 3.38Å; F259-D269 HydrophobicContact CD1-CB 4.18Å; F259-D269 HydrophobicContact CE1-CB 4.15Å |
| 260 | K | 97.9 | Very high | 96.7 | Very high | 43 Ų | 43 | 29.9 Ų | 29.9 | 19% | 0.187 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 124.4 | 170.2 | -179.2 | -178.3 | 164.5 | -70.1 | 0 | 109.5 | L240 D246 L258 F267 V268 M270 F317 | L240-K260 HydrophobicContact CD1-CB 3.64Å; L240-K260 HydrophobicContact CD1-CD 4.26Å; L240-K260 HydrophobicContact CD1-CG 3.99Å; D246-K260 WeakPolarHBondContact OD1-CA 3.47Å; L258-K260 PolarHBondContact O-N 3.45Å; K260-F267 VanDerWaalsContact O-CA 3.28Å; K260-F267 WeakPolarHBondContact O-CA 3.25Å; K260-V268 HydrophobicContact CB-CG1 3.96Å; K260-V268 HydrophobicContact CD-CG1 4.38Å; K260-V268 PolarHBondContact N-O 3.04Å; K260-V268 PolarHBondContact O-N 2.86Å; K260-M270 HydrophobicContact CB-CG 3.7Å; K260-M270 HydrophobicContact CD-CG 4.22Å; K260-F317 HydrophobicContact CD-CE1 3.98Å |
| 261 | N | 97.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 126 | 171.7 | -169.1 | -27.1 | 0 | 0 | 0 | 110.5 | R176 R244 S245 D246 G263 F267 | R176-N261 PolarHBondContact O-ND2 3.02Å; R244-N261 HydrophobicContact CB-CB 4.27Å; S245-N261 WeakPolarHBondContact O-CB 3.41Å; S245-N261 PolarHBondContact O-ND2 2.97Å; D246-N261 PolarHBondContact OD1-N 2.94Å; N261-G263 VanDerWaalsContact C-N 3.34Å; N261-G263 PolarHBondContact OD1-N 3.1Å; N261-F267 HydrophobicContact CB-CD1 4.06Å; N261-F267 HydrophobicContact CB-CE1 3.7Å; N261-F267 HydrophobicContact CB-CZ 4.43Å |
| 262 | N | 96.9 | Very high | 96.7 | Very high | 62 Ų | 62 | 36.8 Ų | 36.8 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | trans | -80.7 | -15.5 | -179.5 | -66.6 | -39.4 | 0 | 0 | 0 | 113.1 | R244 T266 | R244-N262 PolarHBondContact NH1-O 2.85Å; N262-T266 WeakPolarHBondContact CB-O 3.5Å; N262-T266 PolarHBondContact N-O 3.08Å; N262-T266 PolarHBondContact ND2-O 3.5Å; N262-T266 PolarHBondContact ND2-OG1 3.36Å; N262-T266 VanDerWaalsContact ND2-OG1 3.07Å | ||
| 263 | G | 94.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 39% | 0.392 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 97.2 | -4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R244 N261 | R244-G263 VanDerWaalsContact NH1-N 3.12Å; N261-G263 VanDerWaalsContact C-N 3.34Å; N261-G263 PolarHBondContact OD1-N 3.1Å |
| 264 | D | 95.8 | Very high | 97.1 | Very high | 111 Ų | 111 | 36.9 Ų | 36.9 | 59% | 0.594 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -106.2 | 13.5 | 170.7 | 59.2 | 4.4 | 0 | 0 | 0 | 110.8 | T266 | D264-T266 PolarHBondContact O-N 2.94Å; D264-T266 VanDerWaalsContact OD1-CB 3.29Å; D264-T266 WeakPolarHBondContact OD1-CB 3.06Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.33Å; D264-T266 PolarHBondContact OD1-N 3.05Å; D264-T266 PolarHBondContact OD1-OG1 3.13Å; D264-T266 PolarHBondContact OD2-OG1 3.36Å |
| 265 | G | 94.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 75.7 | 2.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R176 | R176-G265 VanDerWaalsContact NH1-C 3.26Å; R176-G265 PolarHBondContact NH1-O 3.15Å; R176-G265 WeakPolarHBondContact O-CA 2.94Å |
| 266 | T | 98.4 | Very high | 97.3 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 26% | 0.258 | 21% | 0.211 | S | C | . | . | trans | -91.3 | 161.6 | 169.7 | 74.2 | 0 | 0 | 0 | 0 | 111.2 | N262 D264 | N262-T266 WeakPolarHBondContact CB-O 3.5Å; N262-T266 PolarHBondContact N-O 3.08Å; N262-T266 PolarHBondContact ND2-O 3.5Å; N262-T266 PolarHBondContact ND2-OG1 3.36Å; N262-T266 VanDerWaalsContact ND2-OG1 3.07Å; D264-T266 PolarHBondContact O-N 2.94Å; D264-T266 VanDerWaalsContact OD1-CB 3.29Å; D264-T266 WeakPolarHBondContact OD1-CB 3.06Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.33Å; D264-T266 PolarHBondContact OD1-N 3.05Å; D264-T266 PolarHBondContact OD1-OG1 3.13Å; D264-T266 PolarHBondContact OD2-OG1 3.36Å | ||
| 267 | F | 98.7 | Very high | 97.3 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.3 | -176.7 | -63.8 | -92.6 | 0 | 0 | 0 | 112.7 | V174 R176 A223 V225 V247 F259 K260 N261 | V174-F267 HydrophobicContact CG1-CZ 4.16Å; R176-F267 HydrophobicContact CB-CE2 3.91Å; R176-F267 HydrophobicContact CB-CZ 3.69Å; A223-F267 HydrophobicContact CB-CD2 4.19Å; A223-F267 HydrophobicContact CB-CE2 4.49Å; A223-F267 PolarHBondContact O-N 2.85Å; V225-F267 HydrophobicContact CG1-CB 3.72Å; V225-F267 HydrophobicContact CG1-CD2 3.54Å; V225-F267 HydrophobicContact CG1-CE2 4.31Å; V225-F267 HydrophobicContact CG1-CG 3.72Å; V247-F267 HydrophobicContact CG2-CE1 4.15Å; V247-F267 HydrophobicContact CG2-CZ 4.43Å; F259-F267 HydrophobicContact CB-CB 3.95Å; F259-F267 HydrophobicContact CB-CD1 3.67Å; F259-F267 HydrophobicContact CB-CG 4.06Å; F259-F267 HydrophobicContact CD1-CB 4.23Å; F259-F267 HydrophobicContact CG-CB 4.47Å; K260-F267 VanDerWaalsContact O-CA 3.28Å; K260-F267 WeakPolarHBondContact O-CA 3.25Å; N261-F267 HydrophobicContact CB-CD1 4.06Å; N261-F267 HydrophobicContact CB-CE1 3.7Å; N261-F267 HydrophobicContact CB-CZ 4.43Å |
| 268 | V | 97.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.4 | 166.3 | 61.8 | 0 | 0 | 0 | 0 | 109.5 | F259 K260 M270 | F259-V268 WeakPolarHBondContact CA-O 3.38Å; K260-V268 HydrophobicContact CB-CG1 3.96Å; K260-V268 HydrophobicContact CD-CG1 4.38Å; K260-V268 PolarHBondContact N-O 3.04Å; K260-V268 PolarHBondContact O-N 2.86Å; V268-M270 HydrophobicContact CG1-CG 4.11Å; V268-M270 HydrophobicContact CG1-SD 4.15Å; V268-M270 PolarHBondContact O-N 3.31Å |
| 269 | D | 98.2 | Very high | 97.1 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.1 | 178.7 | -173.9 | -0.4 | 0 | 0 | 0 | 110.4 | K227 F257 L258 F259 A271 | K227-D269 IonicContact NZ-OD2 2.79Å; K227-D269 PolarHBondContact NZ-OD2 3.21Å; F257-D269 WeakPolarHBondContact CD1-OD2 3.42Å; L258-D269 PolarHBondContact N-OD1 2.78Å; F259-D269 HydrophobicContact CD1-CB 4.18Å; F259-D269 HydrophobicContact CE1-CB 4.15Å; D269-A271 PolarHBondContact OD1-N 3.46Å |
| 270 | M | 97.8 | Very high | 96.9 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | trans | -111.3 | 5.1 | -174.1 | -65.3 | -69.5 | -68.1 | 0 | 0 | 112.6 | L240 L258 K260 V268 Q272 Q273 A274 F317 | L240-M270 HydrophobicContact CD1-CB 4.12Å; L240-M270 HydrophobicContact CD1-CG 4.28Å; L258-M270 PolarHBondContact O-N 3.09Å; K260-M270 HydrophobicContact CB-CG 3.7Å; K260-M270 HydrophobicContact CD-CG 4.22Å; V268-M270 HydrophobicContact CG1-CG 4.11Å; V268-M270 HydrophobicContact CG1-SD 4.15Å; V268-M270 PolarHBondContact O-N 3.31Å; M270-Q272 VanDerWaalsContact C-N 3.32Å; M270-Q272 PolarHBondContact O-N 2.97Å; M270-Q273 HydrophobicContact CE-CB 4.27Å; M270-Q273 HydrophobicContact CE-CG 4.09Å; M270-Q273 PolarHBondContact O-N 3.14Å; M270-Q273 VanDerWaalsContact O-N 3.14Å; M270-A274 VanDerWaalsContact O-CB 3.28Å; M270-A274 WeakPolarHBondContact O-CB 3.47Å; M270-A274 PolarHBondContact O-N 3.12Å; M270-F317 HydrophobicContact CE-CD1 4.2Å | ||
| 271 | A | 97.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56 | -44.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N256 L258 D269 A274 G275 V276 E277 | N256-A271 WeakPolarHBondContact O-CB 3.4Å; L258-A271 HydrophobicContact CB-CB 4.14Å; D269-A271 PolarHBondContact OD1-N 3.46Å; A271-A274 PolarHBondContact O-N 3.41Å; A271-G275 PolarHBondContact O-N 3.25Å; A271-G275 VanDerWaalsContact O-N 3.1Å; A271-V276 HydrophobicContact CB-CG2 4.18Å; A271-V276 PolarHBondContact O-N 3Å; A271-E277 HydrophobicContact CB-CB 4.25Å; A271-E277 PolarHBondContact O-N 3.45Å |
| 272 | Q | 96.8 | Very high | 96.9 | Very high | 143 Ų | 143 | 55.1 Ų | 55.1 | 67% | 0.668 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.2 | -48.8 | 178.2 | -179.2 | 171.2 | 58.6 | 0 | 0 | 111.5 | M270 A274 G275 E277 | M270-Q272 VanDerWaalsContact C-N 3.32Å; M270-Q272 PolarHBondContact O-N 2.97Å; Q272-A274 PolarHBondContact O-N 3Å; Q272-G275 PolarHBondContact O-N 2.89Å; Q272-E277 WeakPolarHBondContact CB-OE2 3.26Å; Q272-E277 WeakPolarHBondContact CG-OE2 3.07Å; Q272-E277 PolarHBondContact NE2-OE2 3.27Å |
| 273 | Q | 96.6 | Very high | 96.9 | Very high | 127 Ų | 127 | 52.1 Ų | 52.1 | 59% | 0.593 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.4 | -35.1 | -179.8 | -179.2 | 173.6 | -13.7 | 0 | 0 | 111.6 | M270 G275 | M270-Q273 HydrophobicContact CE-CB 4.27Å; M270-Q273 HydrophobicContact CE-CG 4.09Å; M270-Q273 PolarHBondContact O-N 3.14Å; M270-Q273 VanDerWaalsContact O-N 3.14Å; Q273-G275 VanDerWaalsContact C-N 3.34Å |
| 274 | A | 96.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -83.7 | -7.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L258 M270 A271 Q272 V276 F317 F319 | L258-A274 HydrophobicContact CD2-CB 3.89Å; M270-A274 VanDerWaalsContact O-CB 3.28Å; M270-A274 WeakPolarHBondContact O-CB 3.47Å; M270-A274 PolarHBondContact O-N 3.12Å; A271-A274 PolarHBondContact O-N 3.41Å; Q272-A274 PolarHBondContact O-N 3Å; A274-V276 HydrophobicContact CB-CG2 4.27Å; A274-F317 WeakPolarHBondContact CA-O 3.28Å; A274-F317 WeakPolarHBondContact CB-O 3.22Å; A274-F319 HydrophobicContact CB-CD2 3.96Å; A274-F319 HydrophobicContact CB-CE2 4.19Å; A274-F319 PolarHBondContact O-N 2.89Å |
| 275 | G | 96.4 | Very high | 96.9 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 44% | 0.443 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 20.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A271 Q272 Q273 | A271-G275 PolarHBondContact O-N 3.25Å; A271-G275 VanDerWaalsContact O-N 3.1Å; Q272-G275 PolarHBondContact O-N 2.89Å; Q273-G275 VanDerWaalsContact C-N 3.34Å |
| 276 | V | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -114.6 | 10.1 | -175.5 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | F248 N256 L258 A271 A274 D278 Y311 F319 | F248-V276 HydrophobicContact CD2-CG2 4.36Å; F248-V276 HydrophobicContact CE2-CB 4.01Å; F248-V276 HydrophobicContact CE2-CG2 3.82Å; N256-V276 WeakPolarHBondContact CB-O 3.39Å; N256-V276 PolarHBondContact ND2-O 3.24Å; L258-V276 HydrophobicContact CB-CG2 4.1Å; L258-V276 HydrophobicContact CD2-CG2 3.98Å; A271-V276 HydrophobicContact CB-CG2 4.18Å; A271-V276 PolarHBondContact O-N 3Å; A274-V276 HydrophobicContact CB-CG2 4.27Å; V276-D278 VanDerWaalsContact C-N 3.26Å; V276-D278 PolarHBondContact O-N 2.65Å; V276-Y311 HydrophobicContact CG1-CD1 4.2Å; V276-Y311 HydrophobicContact CG1-CD2 4.4Å; V276-Y311 HydrophobicContact CG1-CE1 4.33Å; V276-Y311 HydrophobicContact CG1-CG 4.23Å; V276-F319 HydrophobicContact CG1-CB 3.57Å; V276-F319 HydrophobicContact CG1-CD2 3.62Å; V276-F319 HydrophobicContact CG1-CE2 4.48Å; V276-F319 HydrophobicContact CG1-CG 3.67Å | ||
| 277 | E | 97.1 | Very high | 97.1 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 28% | 0.276 | 23% | 0.23 | S | C | . | . | trans | -63.2 | -26.2 | -178.2 | 65.6 | 171.2 | -161.8 | 0 | 0 | 114.3 | A255 N256 A271 Q272 R279 | A255-E277 CarbonylContact C-O 3.57Å; A255-E277 VanDerWaalsContact CA-O 3.29Å; A255-E277 WeakPolarHBondContact CA-O 3.15Å; A255-E277 HydrophobicContact CB-CB 4.17Å; N256-E277 PolarHBondContact N-O 2.85Å; A271-E277 HydrophobicContact CB-CB 4.25Å; A271-E277 PolarHBondContact O-N 3.45Å; Q272-E277 WeakPolarHBondContact CB-OE2 3.26Å; Q272-E277 WeakPolarHBondContact CG-OE2 3.07Å; Q272-E277 PolarHBondContact NE2-OE2 3.27Å; E277-R279 WeakPolarHBondContact O-CA 3.43Å; E277-R279 PolarHBondContact O-N 2.9Å | ||
| 278 | D | 97 | Very high | 97.1 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | trans | 31.2 | 41.9 | 176.4 | -157.3 | 29.1 | 0 | 0 | 0 | 116.1 | V276 A280 Q281 Y301 N303 R309 | V276-D278 VanDerWaalsContact C-N 3.26Å; V276-D278 PolarHBondContact O-N 2.65Å; D278-A280 PolarHBondContact O-N 2.88Å; D278-Q281 PolarHBondContact O-N 2.9Å; D278-Q281 VanDerWaalsContact OD1-CG 3.29Å; D278-Q281 WeakPolarHBondContact OD1-CG 3.38Å; D278-Q281 WeakPolarHBondContact OD2-CB 3.27Å; D278-Q281 WeakPolarHBondContact OD2-CG 3.28Å; D278-Y301 WeakPolarHBondContact CB-OH 3.34Å; D278-Y301 PolarHBondContact OD2-OH 3.04Å; D278-N303 PolarHBondContact OD2-ND2 3.09Å; D278-R309 IonicContact OD1-CZ 3.26Å; D278-R309 IonicContact OD1-NE 3.47Å; D278-R309 IonicContact OD1-NH2 2.65Å; D278-R309 PolarHBondContact OD1-NH2 3.47Å; D278-R309 IonicContact OD2-CZ 3.86Å; D278-R309 IonicContact OD2-NE 3.43Å; D278-R309 IonicContact OD2-NH2 3.19Å; D278-R309 PolarHBondContact OD2-NH2 2.95Å | ||
| 279 | R | 95.9 | Very high | 97.1 | Very high | 170 Ų | 170 | 41 Ų | 41 | 64% | 0.642 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.8 | -164.8 | -171.4 | -179.7 | -158.5 | 151.5 | 7 | 116 | A255 E277 Q281 | A255-R279 HydrophobicContact CB-CB 4.29Å; A255-R279 HydrophobicContact CB-CG 4.24Å; E277-R279 WeakPolarHBondContact O-CA 3.43Å; E277-R279 PolarHBondContact O-N 2.9Å; R279-Q281 VanDerWaalsContact C-N 3.3Å |
| 280 | A | 94.9 | Very high | 97 | Very high | 82 Ų | 82 | 38.4 Ų | 38.4 | 68% | 0.678 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -2.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D278 | D278-A280 PolarHBondContact O-N 2.88Š|
| 281 | Q | 97 | Very high | 97 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -112.7 | 177.1 | -177.1 | -57.5 | -59.9 | -49.3 | 0 | 0 | 111.9 | D278 R279 N303 | D278-Q281 PolarHBondContact O-N 2.9Å; D278-Q281 VanDerWaalsContact OD1-CG 3.29Å; D278-Q281 WeakPolarHBondContact OD1-CG 3.38Å; D278-Q281 WeakPolarHBondContact OD2-CB 3.27Å; D278-Q281 WeakPolarHBondContact OD2-CG 3.28Å; R279-Q281 VanDerWaalsContact C-N 3.3Å; Q281-N303 HydrophobicContact CB-CB 4.21Å; Q281-N303 VanDerWaalsContact CB-CG 3.4Å; Q281-N303 WeakPolarHBondContact CB-ND2 3.27Å; Q281-N303 VanDerWaalsContact CB-OD1 3.24Å; Q281-N303 WeakPolarHBondContact CB-OD1 3.18Å |
| 282 | H | 97.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 39.4 Ų | 39.4 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | trans | -129.2 | 90 | -174.8 | -58.1 | -77.5 | 0 | 0 | 0 | 108.8 | E252 N253 N303 W304 | E252-H282 HydrophobicContact CG-CB 4.14Å; E252-H282 VanDerWaalsContact CG-ND1 3.31Å; E252-H282 WeakPolarHBondContact CG-ND1 3.44Å; N253-H282 PolarHBondContact OD1-CE1 2.87Å; N253-H282 VanDerWaalsContact OD1-CE1 3.27Å; H282-N303 CarbonylContact O-C 3.53Å; H282-N303 WeakPolarHBondContact O-CA 3.37Å; H282-W304 HydrophobicContact CB-CB 4.11Å; H282-W304 PolarHBondContact O-N 2.86Å | ||
| 283 | G | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 158.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R232 D250 N251 N303 | R232-G283 WeakPolarHBondContact CB-O 3Å; R232-G283 WeakPolarHBondContact CG-O 2.87Å; D250-G283 VanDerWaalsContact CG-C 3.46Å; D250-G283 WeakPolarHBondContact OD1-CA 3.25Å; N251-G283 PolarHBondContact O-N 2.77Å; G283-N303 PolarHBondContact N-OD1 2.78Å |
| 284 | R | 95.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | -89.9 | 177.1 | -69.7 | -64.2 | -174.3 | -88.7 | 0.6 | 110.5 | G233 D250 E252 G302 W304 I333 R334 Y471 | G233-R284 WeakPolarHBondContact CA-O 3.45Å; G233-R284 PolarHBondContact N-O 3.49Å; G233-R284 VanDerWaalsContact N-O 3.08Å; D250-R284 PolarHBondContact OD1-N 2.77Å; D250-R284 VanDerWaalsContact OD2-C 3.25Å; D250-R284 PolarHBondContact OD2-N 2.78Å; E252-R284 IonicContact OE1-CZ 3.79Å; E252-R284 IonicContact OE1-NH1 2.89Å; E252-R284 PolarHBondContact OE1-NH1 2.92Å; E252-R284 IonicContact OE1-NH2 3.31Å; E252-R284 PolarHBondContact OE1-NH2 2.53Å; R284-G302 PolarHBondContact N-O 3.41Å; R284-W304 HydrophobicContact CG-CB 4.02Å; R284-I333 HydrophobicContact CB-CG2 4.28Å; R284-I333 HydrophobicContact CG-CG2 4.42Å; R284-I333 WeakPolarHBondContact CG-O 3.48Å; R284-R334 WeakPolarHBondContact CB-O 3.26Å; R284-Y471 WeakPolarHBondContact O-CD2 3.49Å |
| 285 | G | 95.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y301 G302 R334 V336 G470 | G285-Y301 CarbonylContact O-C 3.48Å; G285-Y301 WeakPolarHBondContact O-CA 3.41Å; G285-Y301 WeakPolarHBondContact O-CB 3.41Å; G285-G302 PolarHBondContact O-N 3.5Å; G285-R334 WeakPolarHBondContact CA-O 3.48Å; G285-R334 PolarHBondContact N-O 2.98Å; G285-V336 WeakPolarHBondContact O-CG2 3.28Å; G285-G470 WeakPolarHBondContact CA-O 3.41Å |
| 286 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 143.9 | -178.2 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | V235 F248 I299 V300 S469 G470 | V235-V286 HydrophobicContact CB-CG1 3.87Å; V235-V286 HydrophobicContact CB-CG2 4.23Å; V235-V286 HydrophobicContact CG1-CB 4.38Å; V235-V286 HydrophobicContact CG1-CG1 3.93Å; V235-V286 HydrophobicContact CG1-CG2 3.55Å; F248-V286 HydrophobicContact CD1-CG2 3.83Å; F248-V286 HydrophobicContact CE1-CG2 4.04Å; V286-I299 HydrophobicContact CG2-CG2 3.89Å; V286-V300 CarbonylContact C-O 3.56Å; V286-V300 WeakPolarHBondContact CA-O 3.42Å; V286-V300 WeakPolarHBondContact CG2-O 3.42Å; V286-S469 CarbonylContact O-C 3.53Å; V286-G470 PolarHBondContact N-O 3.11Å; V286-G470 VanDerWaalsContact N-O 3.1Å; V286-G470 WeakPolarHBondContact O-CA 3.05Å; V286-G470 PolarHBondContact O-N 3.02Å |
| 287 | A | 98.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 158.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V300 A338 | A287-V300 HydrophobicContact CB-CG1 3.81Å; A287-V300 PolarHBondContact N-O 3.19Å; A287-V300 PolarHBondContact O-N 2.58Å; A287-A338 HydrophobicContact CB-CB 3.91Å |
| 288 | L | 98.3 | Very high | 96.5 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.9 | 174.6 | -62.2 | 176.8 | 0 | 0 | 0 | 110.3 | V235 I239 T297 D298 I299 I464 | V235-L288 HydrophobicContact CB-CG 4.37Å; V235-L288 HydrophobicContact CG1-CD1 4.24Å; V235-L288 HydrophobicContact CG1-CD2 3.93Å; V235-L288 HydrophobicContact CG1-CG 3.92Å; V235-L288 HydrophobicContact CG2-CB 4.39Å; V235-L288 HydrophobicContact CG2-CD1 3.61Å; V235-L288 HydrophobicContact CG2-CD2 4.39Å; V235-L288 HydrophobicContact CG2-CG 3.47Å; V235-L288 VanDerWaalsContact CG2-CG 3.47Å; I239-L288 HydrophobicContact CD1-CD1 4.11Å; I239-L288 HydrophobicContact CD1-CD2 4.09Å; I239-L288 HydrophobicContact CG1-CD1 3.8Å; I239-L288 HydrophobicContact CG1-CD2 4.02Å; L288-T297 HydrophobicContact CB-CG2 3.94Å; L288-T297 HydrophobicContact CD1-CG2 3.96Å; L288-T297 HydrophobicContact CD2-CG2 3.77Å; L288-T297 HydrophobicContact CG-CG2 4.07Å; L288-D298 WeakPolarHBondContact CA-O 3.09Å; L288-D298 WeakPolarHBondContact CD2-O 3.46Å; L288-I299 HydrophobicContact CD2-CB 4.42Å; L288-I299 HydrophobicContact CD2-CG1 3.8Å; L288-I464 HydrophobicContact CB-CD1 3.65Å; L288-I464 HydrophobicContact CD1-CG2 4.45Å |
| 289 | A | 97.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 171.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | F291 D298 A338 L347 | A289-F291 HydrophobicContact CB-CD1 4.27Å; A289-F291 HydrophobicContact CB-CD2 3.89Å; A289-F291 HydrophobicContact CB-CE1 3.91Å; A289-F291 HydrophobicContact CB-CE2 3.49Å; A289-F291 VanDerWaalsContact CB-CE2 3.49Å; A289-F291 HydrophobicContact CB-CG 4.28Å; A289-F291 HydrophobicContact CB-CZ 3.51Å; A289-D298 PolarHBondContact N-O 3.48Å; A289-D298 WeakPolarHBondContact O-CA 3.36Å; A289-D298 VanDerWaalsContact O-CB 3.26Å; A289-D298 WeakPolarHBondContact O-CB 3.31Å; A289-D298 PolarHBondContact O-N 2.79Å; A289-A338 HydrophobicContact CB-CB 4.34Å; A289-L347 HydrophobicContact CB-CD1 3.56Å |
| 290 | D | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | trans | -108.2 | 88.1 | 168.1 | 174.6 | 8.4 | 0 | 0 | 0 | 108 | N292 G293 D294 G295 K296 R369 T462 | D290-N292 PolarHBondContact OD1-OD1 3.19Å; D290-G293 WeakPolarHBondContact OD1-CA 3.34Å; D290-G293 PolarHBondContact OD1-N 3.11Å; D290-G293 WeakPolarHBondContact OD2-CA 3.36Å; D290-D294 PolarHBondContact OD1-N 2.9Å; D290-G295 VanDerWaalsContact OD2-CA 3.31Å; D290-G295 WeakPolarHBondContact OD2-CA 3.38Å; D290-G295 PolarHBondContact OD2-N 3.49Å; D290-K296 WeakPolarHBondContact CB-O 3.18Å; D290-R369 PolarHBondContact O-NH2 3.08Å; D290-T462 HydrophobicContact CB-CG2 4.44Å; D290-T462 WeakPolarHBondContact OD2-CB 3.5Å; D290-T462 PolarHBondContact OD2-OG1 2.77Å | ||
| 291 | F | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -80.4 | -24.2 | -169.5 | -73.2 | -70.8 | 0 | 0 | 0 | 112.9 | A289 D298 V300 L310 L312 A338 L347 V349 V367 | A289-F291 HydrophobicContact CB-CD1 4.27Å; A289-F291 HydrophobicContact CB-CD2 3.89Å; A289-F291 HydrophobicContact CB-CE1 3.91Å; A289-F291 HydrophobicContact CB-CE2 3.49Å; A289-F291 VanDerWaalsContact CB-CE2 3.49Å; A289-F291 HydrophobicContact CB-CG 4.28Å; A289-F291 HydrophobicContact CB-CZ 3.51Å; F291-D298 HydrophobicContact CD2-CB 3.68Å; F291-D298 HydrophobicContact CE2-CB 4.36Å; F291-D298 PolarHBondContact N-OD2 3.46Å; F291-V300 HydrophobicContact CE2-CB 4Å; F291-V300 HydrophobicContact CE2-CG1 3.97Å; F291-V300 HydrophobicContact CZ-CB 4.11Å; F291-V300 HydrophobicContact CZ-CG1 3.76Å; F291-L310 HydrophobicContact CD2-CD1 3.41Å; F291-L310 VanDerWaalsContact CD2-CD1 3.41Å; F291-L310 HydrophobicContact CE2-CD1 3.42Å; F291-L310 VanDerWaalsContact CE2-CD1 3.42Å; F291-L310 HydrophobicContact CG-CD1 4.02Å; F291-L310 HydrophobicContact CZ-CD1 4.06Å; F291-L312 HydrophobicContact CB-CD2 4.2Å; F291-A338 HydrophobicContact CE1-CB 4.49Å; F291-A338 HydrophobicContact CZ-CB 4.06Å; F291-L347 HydrophobicContact CD1-CB 4.08Å; F291-L347 HydrophobicContact CD1-CD1 4.2Å; F291-L347 HydrophobicContact CE1-CB 4.04Å; F291-L347 HydrophobicContact CE1-CD1 4.35Å; F291-V349 HydrophobicContact CE1-CG2 3.59Å; F291-V349 HydrophobicContact CZ-CG2 3.76Å; F291-V367 HydrophobicContact CB-CG1 3.85Å; F291-V367 HydrophobicContact CD1-CB 3.72Å; F291-V367 HydrophobicContact CD1-CG1 3.8Å; F291-V367 HydrophobicContact CD1-CG2 3.86Å; F291-V367 HydrophobicContact CE1-CB 4.36Å; F291-V367 HydrophobicContact CE1-CG2 4.07Å; F291-V367 HydrophobicContact CG-CG1 4.15Å |
| 292 | N | 95.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 13.6 Ų | 13.6 | 23% | 0.23 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -102.5 | -7.5 | 179 | 69.6 | 3.2 | 0 | 0 | 0 | 113.5 | D290 D294 L312 P375 | D290-N292 PolarHBondContact OD1-OD1 3.19Å; N292-D294 PolarHBondContact ND2-OD2 3.45Å; N292-D294 WeakPolarHBondContact OD1-CB 3.44Å; N292-D294 PolarHBondContact OD1-N 2.69Å; N292-D294 PolarHBondContact OD1-OD1 3.09Å; N292-D294 VanDerWaalsContact OD1-OD1 3.12Å; N292-L312 HydrophobicContact CB-CD1 4.42Å; N292-L312 HydrophobicContact CB-CD2 4.43Å; N292-P375 HydrophobicContact CB-CG 3.8Å |
| 293 | G | 94.2 | Very high | 96.9 | Very high | 20 Ų | 20 | 10.7 Ų | 10.7 | 21% | 0.206 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 76.9 | 21.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | D290 G295 R369 | D290-G293 WeakPolarHBondContact OD1-CA 3.34Å; D290-G293 PolarHBondContact OD1-N 3.11Å; D290-G293 WeakPolarHBondContact OD2-CA 3.36Å; G293-G295 VanDerWaalsContact C-N 3.31Å; G293-R369 VanDerWaalsContact CA-CZ 3.47Å |
| 294 | D | 93.9 | Very high | 96.9 | Very high | 66 Ų | 66 | 12.9 Ų | 12.9 | 35% | 0.353 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -89.6 | 3.1 | -179.1 | 83.3 | -6.7 | 0 | 0 | 0 | 113.5 | D290 N292 K296 | D290-D294 PolarHBondContact OD1-N 2.9Å; N292-D294 PolarHBondContact ND2-OD2 3.45Å; N292-D294 WeakPolarHBondContact OD1-CB 3.44Å; N292-D294 PolarHBondContact OD1-N 2.69Å; N292-D294 PolarHBondContact OD1-OD1 3.09Å; N292-D294 VanDerWaalsContact OD1-OD1 3.12Å; D294-K296 PolarHBondContact O-N 3.19Å; D294-K296 WeakPolarHBondContact OD1-CA 3.16Å; D294-K296 WeakPolarHBondContact OD1-CB 3.35Å; D294-K296 VanDerWaalsContact OD1-CG 3.32Å; D294-K296 WeakPolarHBondContact OD1-CG 3.13Å; D294-K296 PolarHBondContact OD1-N 3.25Å; D294-K296 IonicContact OD2-NZ 2.72Å; D294-K296 PolarHBondContact OD2-NZ 3.13Å |
| 295 | G | 93.5 | Very high | 97 | Very high | 19 Ų | 19 | 16 Ų | 16 | 20% | 0.196 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 79.7 | 1.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q242 D290 G293 K450 | Q242-G295 PolarHBondContact OE1-O 3.01Å; Q242-G295 VanDerWaalsContact OE1-O 3.08Å; D290-G295 VanDerWaalsContact OD2-CA 3.31Å; D290-G295 WeakPolarHBondContact OD2-CA 3.38Å; D290-G295 PolarHBondContact OD2-N 3.49Å; G293-G295 VanDerWaalsContact C-N 3.31Å; G295-K450 PolarHBondContact O-NZ 3.44Å |
| 296 | K | 95.3 | Very high | 97.1 | Very high | 41 Ų | 41 | 16.3 Ų | 16.3 | 18% | 0.178 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -94.8 | 157.9 | 175.7 | -55.2 | -157.5 | -147.7 | 84.3 | 0 | 111.9 | D290 D294 Q313 | D290-K296 WeakPolarHBondContact CB-O 3.18Å; D294-K296 PolarHBondContact O-N 3.19Å; D294-K296 WeakPolarHBondContact OD1-CA 3.16Å; D294-K296 WeakPolarHBondContact OD1-CB 3.35Å; D294-K296 VanDerWaalsContact OD1-CG 3.32Å; D294-K296 WeakPolarHBondContact OD1-CG 3.13Å; D294-K296 PolarHBondContact OD1-N 3.25Å; D294-K296 IonicContact OD2-NZ 2.72Å; D294-K296 PolarHBondContact OD2-NZ 3.13Å; K296-Q313 HydrophobicContact CB-CB 4.02Å; K296-Q313 HydrophobicContact CB-CG 4.33Å; K296-Q313 HydrophobicContact CD-CB 4.28Å; K296-Q313 HydrophobicContact CD-CG 3.87Å; K296-Q313 PolarHBondContact NZ-O 2.89Å; K296-Q313 VanDerWaalsContact NZ-O 3.13Å |
| 297 | T | 97 | Very high | 97.1 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | trans | -89.3 | 114.9 | 179.4 | -64.1 | 0 | 0 | 0 | 0 | 110.3 | P238 I239 L288 I464 | P238-T297 PolarHBondContact O-OG1 3.33Å; I239-T297 HydrophobicContact CB-CG2 4.45Å; I239-T297 HydrophobicContact CG1-CG2 4.1Å; L288-T297 HydrophobicContact CB-CG2 3.94Å; L288-T297 HydrophobicContact CD1-CG2 3.96Å; L288-T297 HydrophobicContact CD2-CG2 3.77Å; L288-T297 HydrophobicContact CG-CG2 4.07Å; T297-I464 HydrophobicContact CG2-CD1 3.48Å; T297-I464 VanDerWaalsContact CG2-CD1 3.48Å; T297-I464 VanDerWaalsContact OG1-CD1 3.31Å; T297-I464 WeakPolarHBondContact OG1-CD1 3.37Å | ||
| 298 | D | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 162.8 | 172.6 | -59.7 | -37.7 | 0 | 0 | 0 | 110.8 | L288 A289 F291 Y311 L312 Q313 | L288-D298 WeakPolarHBondContact CA-O 3.09Å; L288-D298 WeakPolarHBondContact CD2-O 3.46Å; A289-D298 PolarHBondContact N-O 3.48Å; A289-D298 WeakPolarHBondContact O-CA 3.36Å; A289-D298 VanDerWaalsContact O-CB 3.26Å; A289-D298 WeakPolarHBondContact O-CB 3.31Å; A289-D298 PolarHBondContact O-N 2.79Å; F291-D298 HydrophobicContact CD2-CB 3.68Å; F291-D298 HydrophobicContact CE2-CB 4.36Å; F291-D298 PolarHBondContact N-OD2 3.46Å; D298-Y311 WeakPolarHBondContact CA-O 3.22Å; D298-Y311 VanDerWaalsContact CB-O 3.31Å; D298-Y311 WeakPolarHBondContact CB-O 3.41Å; D298-L312 HydrophobicContact CB-CD2 4.4Å; D298-L312 VanDerWaalsContact OD1-CA 3.25Å; D298-L312 WeakPolarHBondContact OD1-CA 3.17Å; D298-L312 WeakPolarHBondContact OD2-CD2 3.34Å; D298-Q313 PolarHBondContact OD1-N 2.83Å |
| 299 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127 | -178.5 | -53.2 | 171.7 | 0 | 0 | 0 | 109.5 | I239 F248 V286 L288 Y301 Y311 F319 | I239-I299 HydrophobicContact CG2-CD1 4.03Å; I239-I299 HydrophobicContact CG2-CG1 4.42Å; F248-I299 HydrophobicContact CD1-CG2 4.15Å; F248-I299 HydrophobicContact CD2-CD1 3.92Å; F248-I299 HydrophobicContact CE1-CG2 4Å; F248-I299 HydrophobicContact CE2-CD1 4.24Å; F248-I299 HydrophobicContact CG-CD1 4.2Å; F248-I299 HydrophobicContact CZ-CG2 4.32Å; V286-I299 HydrophobicContact CG2-CG2 3.89Å; L288-I299 HydrophobicContact CD2-CB 4.42Å; L288-I299 HydrophobicContact CD2-CG1 3.8Å; I299-Y301 HydrophobicContact CG2-CD1 4.15Å; I299-Y311 PolarHBondContact N-O 3.07Å; I299-Y311 PolarHBondContact O-N 2.86Å; I299-F319 HydrophobicContact CD1-CD1 4.37Å; I299-F319 HydrophobicContact CD1-CE1 3.87Å; I299-F319 HydrophobicContact CD1-CE2 4.46Å; I299-F319 HydrophobicContact CD1-CZ 3.93Å; I299-F319 HydrophobicContact CG1-CE1 3.98Å; I299-F319 HydrophobicContact CG1-CZ 4.43Å |
| 300 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.5 | 169.1 | 64.4 | 0 | 0 | 0 | 0 | 109.6 | V286 A287 F291 R309 L310 F327 V336 V349 F351 | V286-V300 CarbonylContact C-O 3.56Å; V286-V300 WeakPolarHBondContact CA-O 3.42Å; V286-V300 WeakPolarHBondContact CG2-O 3.42Å; A287-V300 HydrophobicContact CB-CG1 3.81Å; A287-V300 PolarHBondContact N-O 3.19Å; A287-V300 PolarHBondContact O-N 2.58Å; F291-V300 HydrophobicContact CE2-CB 4Å; F291-V300 HydrophobicContact CE2-CG1 3.97Å; F291-V300 HydrophobicContact CZ-CB 4.11Å; F291-V300 HydrophobicContact CZ-CG1 3.76Å; V300-R309 WeakPolarHBondContact CA-O 3.35Å; V300-R309 WeakPolarHBondContact CG2-O 3.46Å; V300-L310 HydrophobicContact CB-CD1 3.79Å; V300-L310 HydrophobicContact CG2-CD1 4.09Å; V300-F327 HydrophobicContact CG2-CZ 3.75Å; V300-V336 HydrophobicContact CG1-CG1 3.95Å; V300-V336 HydrophobicContact CG2-CG1 4.22Å; V300-V349 HydrophobicContact CG2-CG1 3.86Å; V300-V349 HydrophobicContact CG2-CG2 4.31Å; V300-F351 HydrophobicContact CG2-CE1 4.47Å |
| 301 | Y | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 162.1 | 173.4 | 73 | -89 | 0 | 0 | 0 | 113.4 | F248 D250 N256 D278 G285 I299 N303 R309 Y311 | F248-Y301 HydrophobicContact CE1-CD1 4.14Å; F248-Y301 HydrophobicContact CE1-CE1 4.4Å; F248-Y301 HydrophobicContact CZ-CD1 4.18Å; F248-Y301 AromaticContact CZ-CE1 3.99Å; F248-Y301 HydrophobicContact CZ-CE1 3.99Å; D250-Y301 HydrophobicContact CB-CD2 4.23Å; N256-Y301 PolarHBondContact ND2-OH 2.78Å; D278-Y301 WeakPolarHBondContact CB-OH 3.34Å; D278-Y301 PolarHBondContact OD2-OH 3.04Å; G285-Y301 CarbonylContact O-C 3.48Å; G285-Y301 WeakPolarHBondContact O-CA 3.41Å; G285-Y301 WeakPolarHBondContact O-CB 3.41Å; I299-Y301 HydrophobicContact CG2-CD1 4.15Å; Y301-N303 WeakPolarHBondContact CE2-OD1 3.23Å; Y301-R309 HydrophobicContact CD1-CB 4.02Å; Y301-R309 HydrophobicContact CE1-CB 3.68Å; Y301-R309 HydrophobicContact CE1-CG 3.95Å; Y301-R309 HydrophobicContact CE2-CB 4.45Å; Y301-R309 HydrophobicContact CE2-CG 4.16Å; Y301-R309 PolarHBondContact N-O 2.85Å; Y301-R309 VanDerWaalsContact N-O 3.1Å; Y301-R309 PolarHBondContact O-N 2.89Å; Y301-Y311 HydrophobicContact CD1-CD2 4.43Å; Y301-Y311 HydrophobicContact CD1-CE2 4.49Å; Y301-Y311 AromaticContact CE1-CD2 3.8Å; Y301-Y311 HydrophobicContact CE1-CD2 3.8Å; Y301-Y311 AromaticContact CE1-CE2 3.5Å; Y301-Y311 HydrophobicContact CE1-CE2 3.5Å; Y301-Y311 VanDerWaalsContact CE1-CE2 3.5Å |
| 302 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R284 G285 | R284-G302 PolarHBondContact N-O 3.41Å; G285-G302 PolarHBondContact O-N 3.5Å |
| 303 | N | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131 | 168.3 | -75.2 | -47.4 | 0 | 0 | 0 | 112.9 | D278 Q281 H282 G283 Y301 N305 G306 P307 H308 I333 | D278-N303 PolarHBondContact OD2-ND2 3.09Å; Q281-N303 HydrophobicContact CB-CB 4.21Å; Q281-N303 VanDerWaalsContact CB-CG 3.4Å; Q281-N303 WeakPolarHBondContact CB-ND2 3.27Å; Q281-N303 VanDerWaalsContact CB-OD1 3.24Å; Q281-N303 WeakPolarHBondContact CB-OD1 3.18Å; H282-N303 CarbonylContact O-C 3.53Å; H282-N303 WeakPolarHBondContact O-CA 3.37Å; G283-N303 PolarHBondContact N-OD1 2.78Å; Y301-N303 WeakPolarHBondContact CE2-OD1 3.23Å; N303-N305 PolarHBondContact O-N 3.01Å; N303-N305 VanDerWaalsContact O-N 3.09Å; N303-G306 PolarHBondContact O-N 2.96Å; N303-P307 PolarHBondContact ND2-O 3.42Å; N303-H308 PolarHBondContact N-ND1 2.83Å; N303-H308 PolarHBondContact O-CE1 2.74Å; N303-H308 VanDerWaalsContact O-CE1 3.31Å; N303-H308 PolarHBondContact O-ND1 2.73Å; N303-I333 VanDerWaalsContact C-CG2 3.48Å; N303-I333 WeakPolarHBondContact O-CG2 3.36Å |
| 304 | W | 97.4 | Very high | 97 | Very high | 45 Ų | 45 | 19.9 Ų | 19.9 | 17% | 0.17 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -60.9 | 107.6 | 176.2 | 177.6 | -103.4 | 0 | 0 | 0 | 111.9 | H282 R284 G306 P332 I333 R334 I354 Y356 | H282-W304 HydrophobicContact CB-CB 4.11Å; H282-W304 PolarHBondContact O-N 2.86Å; R284-W304 HydrophobicContact CG-CB 4.02Å; W304-G306 PolarHBondContact O-N 3.35Å; W304-P332 HydrophobicContact CE3-CB 4.09Å; W304-P332 HydrophobicContact CH2-CB 3.71Å; W304-P332 HydrophobicContact CZ2-CB 4.42Å; W304-P332 VanDerWaalsContact CZ3-C 3.47Å; W304-P332 HydrophobicContact CZ3-CB 3.49Å; W304-P332 VanDerWaalsContact CZ3-CB 3.49Å; W304-P332 WeakPolarHBondContact CZ3-O 3.25Å; W304-I333 VanDerWaalsContact CE3-O 3.3Å; W304-R334 VanDerWaalsContact CH2-NH2 3.34Å; W304-R334 VanDerWaalsContact CZ3-CZ 3.4Å; W304-I354 HydrophobicContact CH2-CG2 3.45Å; W304-I354 VanDerWaalsContact CH2-CG2 3.45Å; W304-I354 HydrophobicContact CZ3-CG2 3.42Å; W304-I354 VanDerWaalsContact CZ3-CG2 3.42Å; W304-Y356 AromaticContact CH2-CD1 3.85Å; W304-Y356 HydrophobicContact CH2-CD1 3.85Å; W304-Y356 AromaticContact CH2-CE1 3.58Å; W304-Y356 HydrophobicContact CH2-CE1 3.58Å; W304-Y356 HydrophobicContact CH2-CG 4.47Å; W304-Y356 AromaticContact CH2-CZ 3.94Å; W304-Y356 HydrophobicContact CZ2-CD1 4.27Å; W304-Y356 AromaticContact CZ2-CE1 3.65Å; W304-Y356 HydrophobicContact CZ2-CE1 3.65Å; W304-Y356 HydrophobicContact CZ2-CE2 4.05Å; W304-Y356 AromaticContact CZ2-CZ 3.51Å |
| 305 | N | 97.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 20.2 Ų | 20.2 | 40% | 0.396 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 23.1 | -174.8 | -56.7 | -61 | 0 | 0 | 0 | 113.8 | N303 S331 Y356 | N303-N305 PolarHBondContact O-N 3.01Å; N303-N305 VanDerWaalsContact O-N 3.09Å; N305-S331 WeakPolarHBondContact CA-O 3.43Å; N305-S331 PolarHBondContact N-O 3.44Å; N305-Y356 PolarHBondContact ND2-OH 2.67Å |
| 306 | G | 97.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 22.7 Ų | 22.7 | 6% | 0.062 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -121.5 | 171.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | N303 W304 H308 P330 | N303-G306 PolarHBondContact O-N 2.96Å; W304-G306 PolarHBondContact O-N 3.35Å; G306-H308 PolarHBondContact O-N 2.92Å; G306-P330 WeakPolarHBondContact O-CA 3.16Å |
| 307 | P | 98.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 24.6 Ų | 24.6 | 31% | 0.305 | 13% | 0.128 | S | C | . | . | trans | -70.9 | 131.2 | -176.6 | -4.9 | 19.5 | 0 | 0 | 0 | 110.4 | N303 R309 A328 | N303-P307 PolarHBondContact ND2-O 3.42Å; P307-R309 PolarHBondContact O-NH1 2.78Å; P307-A328 WeakPolarHBondContact CA-O 3.49Å; P307-A328 HydrophobicContact CB-CB 4.47Å; P307-A328 VanDerWaalsContact CB-O 3.29Å; P307-A328 WeakPolarHBondContact CB-O 3.23Å | ||
| 308 | H | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -71.7 | 162.3 | 178 | -52.5 | -34.7 | 0 | 0 | 0 | 111.6 | N303 G306 F327 A328 S329 S331 F351 R363 | N303-H308 PolarHBondContact N-ND1 2.83Å; N303-H308 PolarHBondContact O-CE1 2.74Å; N303-H308 VanDerWaalsContact O-CE1 3.31Å; N303-H308 PolarHBondContact O-ND1 2.73Å; G306-H308 PolarHBondContact O-N 2.92Å; H308-F327 PolarHBondContact CD2-O 2.81Å; H308-A328 PolarHBondContact N-O 3.24Å; H308-S329 PolarHBondContact CD2-O 3.34Å; H308-S329 PolarHBondContact NE2-O 2.73Å; H308-S331 PolarHBondContact NE2-OG 2.87Å; H308-F351 HydrophobicContact CB-CE2 4.12Å; H308-F351 HydrophobicContact CB-CZ 4Å; H308-F351 AromaticContact CD2-CD2 3.71Å; H308-F351 AromaticContact CD2-CE2 3.37Å; H308-F351 WeakPolarHBondContact CD2-CE2 3.23Å; H308-F351 AromaticContact CG-CE2 3.99Å; H308-R363 PolarHBondContact CD2-NH2 3.34Å; H308-R363 PolarHBondContact NE2-NH2 3.07Å | ||
| 309 | R | 98.6 | Very high | 94.7 | Very high | 28 Ų | 28 | 28.6 Ų | 28.6 | 11% | 0.106 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141 | -172.1 | -64.7 | -71.5 | -174.1 | -83.1 | -14.2 | 111.2 | D278 V300 Y301 P307 Y311 | D278-R309 IonicContact OD1-CZ 3.26Å; D278-R309 IonicContact OD1-NE 3.47Å; D278-R309 IonicContact OD1-NH2 2.65Å; D278-R309 PolarHBondContact OD1-NH2 3.47Å; D278-R309 IonicContact OD2-CZ 3.86Å; D278-R309 IonicContact OD2-NE 3.43Å; D278-R309 IonicContact OD2-NH2 3.19Å; D278-R309 PolarHBondContact OD2-NH2 2.95Å; V300-R309 WeakPolarHBondContact CA-O 3.35Å; V300-R309 WeakPolarHBondContact CG2-O 3.46Å; Y301-R309 HydrophobicContact CD1-CB 4.02Å; Y301-R309 HydrophobicContact CE1-CB 3.68Å; Y301-R309 HydrophobicContact CE1-CG 3.95Å; Y301-R309 HydrophobicContact CE2-CB 4.45Å; Y301-R309 HydrophobicContact CE2-CG 4.16Å; Y301-R309 PolarHBondContact N-O 2.85Å; Y301-R309 VanDerWaalsContact N-O 3.1Å; Y301-R309 PolarHBondContact O-N 2.89Å; P307-R309 PolarHBondContact O-NH1 2.78Å; R309-Y311 HydrophobicContact CB-CD2 3.78Å; R309-Y311 HydrophobicContact CB-CE2 3.47Å; R309-Y311 VanDerWaalsContact CB-CE2 3.47Å; R309-Y311 HydrophobicContact CG-CD2 4.44Å; R309-Y311 HydrophobicContact CG-CE2 3.63Å |
| 310 | L | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 103.6 | 165.4 | 176 | 61.1 | 0 | 0 | 0 | 107.3 | F291 V300 D321 I322 F327 V367 I377 | F291-L310 HydrophobicContact CD2-CD1 3.41Å; F291-L310 VanDerWaalsContact CD2-CD1 3.41Å; F291-L310 HydrophobicContact CE2-CD1 3.42Å; F291-L310 VanDerWaalsContact CE2-CD1 3.42Å; F291-L310 HydrophobicContact CG-CD1 4.02Å; F291-L310 HydrophobicContact CZ-CD1 4.06Å; V300-L310 HydrophobicContact CB-CD1 3.79Å; V300-L310 HydrophobicContact CG2-CD1 4.09Å; L310-D321 PolarHBondContact N-OD1 2.73Å; L310-D321 CarbonylContact O-C 3.51Å; L310-D321 WeakPolarHBondContact O-CA 2.89Å; L310-I322 HydrophobicContact CB-CG1 4.05Å; L310-I322 HydrophobicContact CD2-CD1 3.6Å; L310-I322 HydrophobicContact CD2-CG1 3.76Å; L310-I322 HydrophobicContact CG-CD1 4.01Å; L310-I322 HydrophobicContact CG-CG1 3.72Å; L310-I322 WeakPolarHBondContact O-CG1 3.3Å; L310-I322 PolarHBondContact O-N 3.1Å; L310-F327 HydrophobicContact CB-CE1 3.59Å; L310-F327 HydrophobicContact CB-CZ 3.8Å; L310-F327 HydrophobicContact CD2-CZ 4.36Å; L310-V367 HydrophobicContact CD2-CG1 4.28Å; L310-V367 HydrophobicContact CD2-CG2 4.25Å; L310-I377 HydrophobicContact CD2-CD1 3.69Å; L310-I377 HydrophobicContact CD2-CG1 4.25Å |
| 311 | Y | 98.4 | Very high | 94.6 | Very high | 16 Ų | 16 | 34.5 Ų | 34.5 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.8 | -175 | -80.1 | -71.8 | 0 | 0 | 0 | 110.5 | V276 D298 I299 Y301 R309 F319 R320 D321 | V276-Y311 HydrophobicContact CG1-CD1 4.2Å; V276-Y311 HydrophobicContact CG1-CD2 4.4Å; V276-Y311 HydrophobicContact CG1-CE1 4.33Å; V276-Y311 HydrophobicContact CG1-CG 4.23Å; D298-Y311 WeakPolarHBondContact CA-O 3.22Å; D298-Y311 VanDerWaalsContact CB-O 3.31Å; D298-Y311 WeakPolarHBondContact CB-O 3.41Å; I299-Y311 PolarHBondContact N-O 3.07Å; I299-Y311 PolarHBondContact O-N 2.86Å; Y301-Y311 HydrophobicContact CD1-CD2 4.43Å; Y301-Y311 HydrophobicContact CD1-CE2 4.49Å; Y301-Y311 AromaticContact CE1-CD2 3.8Å; Y301-Y311 HydrophobicContact CE1-CD2 3.8Å; Y301-Y311 AromaticContact CE1-CE2 3.5Å; Y301-Y311 HydrophobicContact CE1-CE2 3.5Å; Y301-Y311 VanDerWaalsContact CE1-CE2 3.5Å; R309-Y311 HydrophobicContact CB-CD2 3.78Å; R309-Y311 HydrophobicContact CB-CE2 3.47Å; R309-Y311 VanDerWaalsContact CB-CE2 3.47Å; R309-Y311 HydrophobicContact CG-CD2 4.44Å; R309-Y311 HydrophobicContact CG-CE2 3.63Å; Y311-F319 HydrophobicContact CD1-CB 3.78Å; Y311-F319 HydrophobicContact CG-CB 4.18Å; Y311-R320 WeakPolarHBondContact CA-O 2.81Å; Y311-D321 HydrophobicContact CD1-CB 3.86Å; Y311-D321 HydrophobicContact CE1-CB 3.6Å |
| 312 | L | 97.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.8 | 169.8 | -62.6 | -172.4 | 0 | 0 | 0 | 111.1 | F291 N292 D298 T314 F319 R320 I322 | F291-L312 HydrophobicContact CB-CD2 4.2Å; N292-L312 HydrophobicContact CB-CD1 4.42Å; N292-L312 HydrophobicContact CB-CD2 4.43Å; D298-L312 HydrophobicContact CB-CD2 4.4Å; D298-L312 VanDerWaalsContact OD1-CA 3.25Å; D298-L312 WeakPolarHBondContact OD1-CA 3.17Å; D298-L312 WeakPolarHBondContact OD2-CD2 3.34Å; L312-T314 PolarHBondContact O-N 3.12Å; L312-F319 WeakPolarHBondContact O-CA 3.31Å; L312-R320 PolarHBondContact N-O 2.02Å; L312-R320 PolarHBondContact O-N 3Å; L312-I322 HydrophobicContact CD1-CD1 3.86Å; L312-I322 HydrophobicContact CD1-CG1 4.41Å; L312-I322 HydrophobicContact CD1-CG2 3.88Å; L312-I322 HydrophobicContact CD2-CD1 3.98Å; L312-I322 HydrophobicContact CG-CD1 3.79Å; L312-I322 HydrophobicContact CG-CG1 4.02Å; L312-I322 HydrophobicContact CG-CG2 3.98Å |
| 313 | Q | 95.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 104.2 | 173.9 | -171.9 | 171 | 82.1 | 0 | 0 | 111.4 | I239 Q242 K296 D298 N315 F319 | I239-Q313 PolarHBondContact O-NE2 2.84Å; I239-Q313 PolarHBondContact O-OE1 2.71Å; Q242-Q313 VanDerWaalsContact NE2-OE1 3.16Å; K296-Q313 HydrophobicContact CB-CB 4.02Å; K296-Q313 HydrophobicContact CB-CG 4.33Å; K296-Q313 HydrophobicContact CD-CB 4.28Å; K296-Q313 HydrophobicContact CD-CG 3.87Å; K296-Q313 PolarHBondContact NZ-O 2.89Å; K296-Q313 VanDerWaalsContact NZ-O 3.13Å; D298-Q313 PolarHBondContact OD1-N 2.83Å; Q313-N315 WeakPolarHBondContact CG-O 3.46Å; Q313-F319 HydrophobicContact CB-CD1 4.08Å; Q313-F319 HydrophobicContact CB-CE1 3.72Å; Q313-F319 HydrophobicContact CB-CZ 4.35Å; Q313-F319 HydrophobicContact CG-CE1 4.09Å; Q313-F319 HydrophobicContact CG-CZ 4.23Å; Q313-F319 VanDerWaalsContact NE2-CZ 3.33Å |
| 314 | T | 89.2 | Confident | 94.5 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 42% | 0.423 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -34.4 | -177.6 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | L312 N318 R320 | L312-T314 PolarHBondContact O-N 3.12Å; T314-N318 PolarHBondContact N-O 3.1Å; T314-N318 PolarHBondContact OG1-O 3.24Å; T314-R320 HydrophobicContact CG2-CB 3.78Å |
| 315 | N | 80.6 | Confident | 94.5 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 173.4 | 169.4 | 63.3 | 41.4 | 0 | 0 | 0 | 108.3 | Q313 F317 N318 | Q313-N315 WeakPolarHBondContact CG-O 3.46Å; N315-F317 PolarHBondContact O-N 3.37Å; N315-F317 PolarHBondContact OD1-N 3.46Å; N315-N318 PolarHBondContact ND2-ND2 2.8Å; N315-N318 VanDerWaalsContact ND2-ND2 3.11Å; N315-N318 PolarHBondContact O-N 3.39Å; N315-N318 WeakPolarHBondContact OD1-CB 3.23Å; N315-N318 PolarHBondContact OD1-N 3.35Å; N315-N318 PolarHBondContact OD1-ND2 2.91Å |
| 316 | N | 72.8 | Confident | 94.5 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -6.2 | -174 | -66.6 | 7.2 | 0 | 0 | 0 | 115.6 | L240 | L240-N316 WeakPolarHBondContact CD2-O 3.42Å; L240-N316 WeakPolarHBondContact O-CB 3.32Å |
| 317 | F | 85.5 | Confident | 94.5 | Very high | 80 Ų | 80 | 44.3 Ų | 44.3 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.2 | 10.9 | -177.8 | -55.2 | -69.2 | 0 | 0 | 0 | 114.8 | L240 K260 M270 A274 N315 | L240-F317 HydrophobicContact CB-CE1 4.46Å; L240-F317 HydrophobicContact CD2-CD1 4.28Å; K260-F317 HydrophobicContact CD-CE1 3.98Å; M270-F317 HydrophobicContact CE-CD1 4.2Å; A274-F317 WeakPolarHBondContact CA-O 3.28Å; A274-F317 WeakPolarHBondContact CB-O 3.22Å; N315-F317 PolarHBondContact O-N 3.37Å; N315-F317 PolarHBondContact OD1-N 3.46Å |
| 318 | N | 93.6 | Very high | 94.5 | Very high | 67 Ų | 67 | 42.9 Ų | 42.9 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 136.5 | -178 | -67 | -84.3 | 0 | 0 | 0 | 112.3 | T314 N315 | T314-N318 PolarHBondContact N-O 3.1Å; T314-N318 PolarHBondContact OG1-O 3.24Å; N315-N318 PolarHBondContact ND2-ND2 2.8Å; N315-N318 VanDerWaalsContact ND2-ND2 3.11Å; N315-N318 PolarHBondContact O-N 3.39Å; N315-N318 WeakPolarHBondContact OD1-CB 3.23Å; N315-N318 PolarHBondContact OD1-N 3.35Å; N315-N318 PolarHBondContact OD1-ND2 2.91Å |
| 319 | F | 97.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 45 Ų | 45 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.3 | 178.4 | -66.5 | -92.7 | 0 | 0 | 0 | 111.8 | I239 L240 L258 A274 V276 I299 Y311 L312 Q313 | I239-F319 HydrophobicContact CG2-CE1 4.47Å; I239-F319 HydrophobicContact CG2-CE2 4.46Å; I239-F319 HydrophobicContact CG2-CZ 3.66Å; L240-F319 HydrophobicContact CD2-CE2 3.85Å; L240-F319 HydrophobicContact CD2-CZ 4.32Å; L258-F319 HydrophobicContact CD2-CE2 3.89Å; A274-F319 HydrophobicContact CB-CD2 3.96Å; A274-F319 HydrophobicContact CB-CE2 4.19Å; A274-F319 PolarHBondContact O-N 2.89Å; V276-F319 HydrophobicContact CG1-CB 3.57Å; V276-F319 HydrophobicContact CG1-CD2 3.62Å; V276-F319 HydrophobicContact CG1-CE2 4.48Å; V276-F319 HydrophobicContact CG1-CG 3.67Å; I299-F319 HydrophobicContact CD1-CD1 4.37Å; I299-F319 HydrophobicContact CD1-CE1 3.87Å; I299-F319 HydrophobicContact CD1-CE2 4.46Å; I299-F319 HydrophobicContact CD1-CZ 3.93Å; I299-F319 HydrophobicContact CG1-CE1 3.98Å; I299-F319 HydrophobicContact CG1-CZ 4.43Å; Y311-F319 HydrophobicContact CD1-CB 3.78Å; Y311-F319 HydrophobicContact CG-CB 4.18Å; L312-F319 WeakPolarHBondContact O-CA 3.31Å; Q313-F319 HydrophobicContact CB-CD1 4.08Å; Q313-F319 HydrophobicContact CB-CE1 3.72Å; Q313-F319 HydrophobicContact CB-CZ 4.35Å; Q313-F319 HydrophobicContact CG-CE1 4.09Å; Q313-F319 HydrophobicContact CG-CZ 4.23Å; Q313-F319 VanDerWaalsContact NE2-CZ 3.33Å |
| 320 | R | 96.8 | Very high | 94.5 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123.4 | 174.1 | -179.2 | 177.2 | 59.8 | 91.7 | 3.3 | 109.9 | Y311 L312 T314 I322 D374 | Y311-R320 WeakPolarHBondContact CA-O 2.81Å; L312-R320 PolarHBondContact N-O 2.02Å; L312-R320 PolarHBondContact O-N 3Å; T314-R320 HydrophobicContact CG2-CB 3.78Å; R320-I322 PolarHBondContact O-N 3.13Å; R320-D374 IonicContact CZ-OD1 3.98Å; R320-D374 IonicContact CZ-OD2 3.91Å; R320-D374 IonicContact NH1-OD1 2.88Å; R320-D374 IonicContact NH1-OD2 2.86Å; R320-D374 PolarHBondContact NH1-OD2 2.98Å; R320-D374 VanDerWaalsContact NH2-CG 3.29Å; R320-D374 IonicContact NH2-OD1 2.9Å; R320-D374 PolarHBondContact NH2-OD1 2.8Å; R320-D374 IonicContact NH2-OD2 3.85Å; R320-D374 PolarHBondContact NH2-OD2 2.71Å |
| 321 | D | 97.9 | Very high | 94.4 | Very high | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124 | 176.1 | 174.4 | 42.3 | 0 | 0 | 0 | 111.4 | L310 Y311 G323 R324 | L310-D321 PolarHBondContact N-OD1 2.73Å; L310-D321 CarbonylContact O-C 3.51Å; L310-D321 WeakPolarHBondContact O-CA 2.89Å; Y311-D321 HydrophobicContact CD1-CB 3.86Å; Y311-D321 HydrophobicContact CE1-CB 3.6Å; D321-G323 PolarHBondContact OD1-N 2.74Å; D321-R324 PolarHBondContact O-NH2 2.8Å; D321-R324 IonicContact OD2-CZ 3.78Å; D321-R324 IonicContact OD2-NH1 3.78Å; D321-R324 PolarHBondContact OD2-NH1 3.39Å |
| 322 | I | 97.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | trans | -109.6 | -0.3 | 174 | 65.8 | 158.6 | 0 | 0 | 0 | 112.7 | L310 L312 R320 R324 P375 I377 | L310-I322 HydrophobicContact CB-CG1 4.05Å; L310-I322 HydrophobicContact CD2-CD1 3.6Å; L310-I322 HydrophobicContact CD2-CG1 3.76Å; L310-I322 HydrophobicContact CG-CD1 4.01Å; L310-I322 HydrophobicContact CG-CG1 3.72Å; L310-I322 WeakPolarHBondContact O-CG1 3.3Å; L310-I322 PolarHBondContact O-N 3.1Å; L312-I322 HydrophobicContact CD1-CD1 3.86Å; L312-I322 HydrophobicContact CD1-CG1 4.41Å; L312-I322 HydrophobicContact CD1-CG2 3.88Å; L312-I322 HydrophobicContact CD2-CD1 3.98Å; L312-I322 HydrophobicContact CG-CD1 3.79Å; L312-I322 HydrophobicContact CG-CG1 4.02Å; L312-I322 HydrophobicContact CG-CG2 3.98Å; R320-I322 PolarHBondContact O-N 3.13Å; I322-R324 WeakPolarHBondContact O-CG 3.17Å; I322-R324 PolarHBondContact O-N 2.85Å; I322-P375 HydrophobicContact CD1-CG 4.45Å; I322-I377 HydrophobicContact CD1-CD1 4.24Å; I322-I377 HydrophobicContact CG1-CD1 4.4Å | ||
| 323 | G | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -63.4 | 117 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D321 | D321-G323 PolarHBondContact OD1-N 2.74Š| ||
| 324 | R | 96.5 | Very high | 94.5 | Very high | 157 Ų | 157 | 48.2 Ų | 48.2 | 59% | 0.592 | 26% | 0.262 | S | S | * | . | trans | -142.7 | 167.4 | -178.1 | -58.3 | -66.7 | 173.7 | -111.9 | -1.8 | 111.2 | D321 I322 N326 F327 A328 | D321-R324 PolarHBondContact O-NH2 2.8Å; D321-R324 IonicContact OD2-CZ 3.78Å; D321-R324 IonicContact OD2-NH1 3.78Å; D321-R324 PolarHBondContact OD2-NH1 3.39Å; I322-R324 WeakPolarHBondContact O-CG 3.17Å; I322-R324 PolarHBondContact O-N 2.85Å; R324-N326 PolarHBondContact O-N 2.99Å; R324-F327 WeakPolarHBondContact O-CB 3.37Å; R324-F327 PolarHBondContact O-N 3.39Å; R324-A328 PolarHBondContact O-N 2.79Å | ||
| 325 | G | 96.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 45 Ų | 45 | 61% | 0.608 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | 54.9 | -135.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F327 A328 S329 | G325-F327 PolarHBondContact O-N 3.44Å; G325-A328 PolarHBondContact O-N 2.95Å; G325-S329 PolarHBondContact O-N 3.19Å; G325-S329 PolarHBondContact O-OG 3.12Å |
| 326 | N | 97.5 | Very high | 95.7 | Very high | 100 Ų | 100 | 41.5 Ų | 41.5 | 54% | 0.535 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.5 | -28.9 | -178.1 | -72.1 | -0.4 | 0 | 0 | 0 | 113.8 | R324 S329 R363 F365 Q379 | R324-N326 PolarHBondContact O-N 2.99Å; N326-S329 WeakPolarHBondContact O-CB 3.29Å; N326-S329 PolarHBondContact O-N 2.73Å; N326-R363 PolarHBondContact O-NH1 3.33Å; N326-F365 HydrophobicContact CB-CE1 4.16Å; N326-Q379 PolarHBondContact ND2-OE1 3.38Å |
| 327 | F | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -47.2 | 177 | -176 | -86.7 | 0 | 0 | 0 | 111.1 | V300 H308 L310 R324 G325 S329 V349 F351 F365 I377 | V300-F327 HydrophobicContact CG2-CZ 3.75Å; H308-F327 PolarHBondContact CD2-O 2.81Å; L310-F327 HydrophobicContact CB-CE1 3.59Å; L310-F327 HydrophobicContact CB-CZ 3.8Å; L310-F327 HydrophobicContact CD2-CZ 4.36Å; R324-F327 WeakPolarHBondContact O-CB 3.37Å; R324-F327 PolarHBondContact O-N 3.39Å; G325-F327 PolarHBondContact O-N 3.44Å; F327-S329 PolarHBondContact O-N 2.94Å; F327-V349 HydrophobicContact CE2-CB 4.18Å; F327-V349 HydrophobicContact CE2-CG1 4.16Å; F327-V349 HydrophobicContact CE2-CG2 4.4Å; F327-V349 HydrophobicContact CZ-CG1 4.43Å; F327-F351 HydrophobicContact CD2-CE2 4.31Å; F327-F351 HydrophobicContact CD2-CZ 4.23Å; F327-F351 HydrophobicContact CE1-CZ 4.05Å; F327-F351 HydrophobicContact CE2-CE2 4.23Å; F327-F351 AromaticContact CE2-CZ 3.71Å; F327-F351 HydrophobicContact CE2-CZ 3.71Å; F327-F351 HydrophobicContact CZ-CE1 4.4Å; F327-F351 HydrophobicContact CZ-CE2 4.42Å; F327-F351 AromaticContact CZ-CZ 3.61Å; F327-F351 HydrophobicContact CZ-CZ 3.61Å; F327-F365 HydrophobicContact CB-CD1 4.24Å; F327-F365 HydrophobicContact CB-CE1 4.09Å; F327-F365 HydrophobicContact CB-CZ 4.42Å; F327-F365 HydrophobicContact CD2-CB 3.95Å; F327-F365 AromaticContact CD2-CD1 3.96Å; F327-F365 HydrophobicContact CD2-CD1 3.96Å; F327-F365 AromaticContact CD2-CD2 3.76Å; F327-F365 HydrophobicContact CD2-CD2 3.76Å; F327-F365 HydrophobicContact CD2-CE1 4.41Å; F327-F365 HydrophobicContact CD2-CE2 4.23Å; F327-F365 AromaticContact CD2-CG 3.62Å; F327-F365 HydrophobicContact CD2-CG 3.62Å; F327-F365 HydrophobicContact CE2-CB 4.29Å; F327-F365 HydrophobicContact CE2-CD2 4.23Å; F327-F365 HydrophobicContact CE2-CG 4.28Å; F327-I377 HydrophobicContact CB-CG2 3.87Å; F327-I377 HydrophobicContact CD2-CG2 3.43Å; F327-I377 VanDerWaalsContact CD2-CG2 3.43Å; F327-I377 HydrophobicContact CE2-CG2 4.19Å; F327-I377 HydrophobicContact CG-CD1 4.32Å; F327-I377 HydrophobicContact CG-CG2 3.87Å |
| 328 | A | 98.6 | Very high | 97.5 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.6 | -5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P307 H308 R324 G325 | P307-A328 WeakPolarHBondContact CA-O 3.49Å; P307-A328 HydrophobicContact CB-CB 4.47Å; P307-A328 VanDerWaalsContact CB-O 3.29Å; P307-A328 WeakPolarHBondContact CB-O 3.23Å; H308-A328 PolarHBondContact N-O 3.24Å; R324-A328 PolarHBondContact O-N 2.79Å; G325-A328 PolarHBondContact O-N 2.95Å |
| 329 | S | 98.4 | Very high | 97.7 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | trans | -61.2 | 130.1 | -178.7 | -70.4 | 0 | 0 | 0 | 0 | 111.2 | H308 G325 N326 F327 R363 | H308-S329 PolarHBondContact CD2-O 3.34Å; H308-S329 PolarHBondContact NE2-O 2.73Å; G325-S329 PolarHBondContact O-N 3.19Å; G325-S329 PolarHBondContact O-OG 3.12Å; N326-S329 WeakPolarHBondContact O-CB 3.29Å; N326-S329 PolarHBondContact O-N 2.73Å; F327-S329 PolarHBondContact O-N 2.94Å; S329-R363 PolarHBondContact O-NH1 3.27Å; S329-R363 PolarHBondContact O-NH2 3.1Å | ||
| 330 | P | 98.2 | Very high | 97.7 | Very high | 80 Ų | 80 | 31.8 Ų | 31.8 | 52% | 0.519 | 18% | 0.18 | S | C | . | . | trans | -57.4 | 141.4 | 178.9 | -27.7 | 35.8 | 0 | 0 | 0 | 114.2 | G306 | G306-P330 WeakPolarHBondContact O-CA 3.16Š| ||
| 331 | S | 98 | Very high | 97.8 | Very high | 10 Ų | 10 | 27 Ų | 27 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -150.6 | 165.1 | 169.1 | 70.2 | 0 | 0 | 0 | 0 | 110.7 | N305 H308 I333 N353 R363 | N305-S331 WeakPolarHBondContact CA-O 3.43Å; N305-S331 PolarHBondContact N-O 3.44Å; H308-S331 PolarHBondContact NE2-OG 2.87Å; S331-I333 PolarHBondContact O-N 3.38Å; S331-N353 VanDerWaalsContact CB-OD1 3.32Å; S331-N353 WeakPolarHBondContact CB-OD1 3.48Å; S331-N353 PolarHBondContact OG-ND2 3.26Å; S331-N353 PolarHBondContact OG-OD1 3.34Å; S331-R363 VanDerWaalsContact CB-NH2 3.27Å; S331-R363 PolarHBondContact OG-NH2 2.65Å |
| 332 | P | 97.6 | Very high | 97.8 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 10% | 0.104 | 16% | 0.158 | C | C | . | . | trans | -78.4 | 63.1 | 174.2 | 35.4 | -37.3 | 0 | 0 | 0 | 110.7 | W304 N353 I354 Y356 A360 | W304-P332 HydrophobicContact CE3-CB 4.09Å; W304-P332 HydrophobicContact CH2-CB 3.71Å; W304-P332 HydrophobicContact CZ2-CB 4.42Å; W304-P332 VanDerWaalsContact CZ3-C 3.47Å; W304-P332 HydrophobicContact CZ3-CB 3.49Å; W304-P332 VanDerWaalsContact CZ3-CB 3.49Å; W304-P332 WeakPolarHBondContact CZ3-O 3.25Å; P332-N353 HydrophobicContact CG-CB 4.49Å; P332-N353 WeakPolarHBondContact O-CA 3.43Å; P332-I354 HydrophobicContact CB-CG2 4.16Å; P332-I354 WeakPolarHBondContact CG-O 3.05Å; P332-I354 WeakPolarHBondContact O-CG2 3.4Å; P332-I354 PolarHBondContact O-N 2.65Å; P332-Y356 HydrophobicContact CB-CD1 4.03Å; P332-Y356 HydrophobicContact CB-CE1 3.57Å; P332-Y356 HydrophobicContact CG-CE1 4.26Å; P332-A360 HydrophobicContact CG-CB 3.53Å | ||
| 333 | I | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 143.6 | -177.6 | -167.6 | 77.7 | 0 | 0 | 0 | 111.4 | R284 N303 W304 S331 V336 F351 N352 N353 | R284-I333 HydrophobicContact CB-CG2 4.28Å; R284-I333 HydrophobicContact CG-CG2 4.42Å; R284-I333 WeakPolarHBondContact CG-O 3.48Å; N303-I333 VanDerWaalsContact C-CG2 3.48Å; N303-I333 WeakPolarHBondContact O-CG2 3.36Å; W304-I333 VanDerWaalsContact CE3-O 3.3Å; S331-I333 PolarHBondContact O-N 3.38Å; I333-V336 HydrophobicContact CD1-CG2 4.35Å; I333-V336 HydrophobicContact CG1-CG2 4.15Å; I333-F351 HydrophobicContact CD1-CB 3.39Å; I333-F351 HydrophobicContact CD1-CD1 4.02Å; I333-F351 HydrophobicContact CD1-CD2 4.49Å; I333-F351 HydrophobicContact CD1-CG 3.73Å; I333-N352 WeakPolarHBondContact CD1-O 3.16Å; I333-N353 VanDerWaalsContact CA-OD1 3.23Å; I333-N353 WeakPolarHBondContact CA-OD1 2.85Å; I333-N353 PolarHBondContact N-OD1 2.8Å |
| 334 | R | 96.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -67.3 | 170.1 | -79.7 | -83 | -177.8 | -81.5 | -8.1 | 109.7 | R284 G285 W304 N352 I354 G392 E414 Y471 | R284-R334 WeakPolarHBondContact CB-O 3.26Å; G285-R334 WeakPolarHBondContact CA-O 3.48Å; G285-R334 PolarHBondContact N-O 2.98Å; W304-R334 VanDerWaalsContact CH2-NH2 3.34Å; W304-R334 VanDerWaalsContact CZ3-CZ 3.4Å; R334-N352 PolarHBondContact N-O 3.19Å; R334-I354 HydrophobicContact CG-CB 3.99Å; R334-I354 HydrophobicContact CG-CG2 4.02Å; R334-G392 VanDerWaalsContact CG-O 3.31Å; R334-G392 WeakPolarHBondContact CG-O 3.12Å; R334-E414 IonicContact CZ-OE1 2.99Å; R334-E414 IonicContact CZ-OE2 2.74Å; R334-E414 IonicContact NE-OE1 3.47Å; R334-E414 IonicContact NE-OE2 3.46Å; R334-E414 PolarHBondContact NE-OE2 3.2Å; R334-E414 VanDerWaalsContact NH2-CD 3.35Å; R334-E414 IonicContact NH2-OE1 3.47Å; R334-E414 PolarHBondContact NH2-OE1 3.14Å; R334-E414 IonicContact NH2-OE2 3.67Å; R334-E414 PolarHBondContact NH2-OE2 2.98Å; R334-Y471 WeakPolarHBondContact O-CB 3.42Å |
| 335 | T | 96.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 154.2 | -179.8 | -164.7 | 0 | 0 | 0 | 0 | 112.7 | N352 G470 Y471 | T335-N352 HydrophobicContact CG2-CB 3.32Å; T335-N352 PolarHBondContact N-O 2.69Å; T335-N352 PolarHBondContact O-N 3.1Å; T335-G470 WeakPolarHBondContact OG1-CA 3.32Å; T335-Y471 PolarHBondContact OG1-N 2.95Å; T335-Y471 VanDerWaalsContact OG1-N 3.08Å |
| 336 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.7 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 107.5 | G285 V300 I333 V349 F350 F351 G470 | G285-V336 WeakPolarHBondContact O-CG2 3.28Å; V300-V336 HydrophobicContact CG1-CG1 3.95Å; V300-V336 HydrophobicContact CG2-CG1 4.22Å; I333-V336 HydrophobicContact CD1-CG2 4.35Å; I333-V336 HydrophobicContact CG1-CG2 4.15Å; V336-V349 HydrophobicContact CG1-CG1 3.85Å; V336-F350 WeakPolarHBondContact CA-O 3.4Å; V336-F351 HydrophobicContact CB-CD1 4.43Å; V336-F351 HydrophobicContact CG1-CD1 4.06Å; V336-F351 HydrophobicContact CG1-CE1 3.88Å; V336-F351 HydrophobicContact CG2-CD1 3.82Å; V336-F351 HydrophobicContact CG2-CE1 3.93Å; V336-G470 VanDerWaalsContact O-CA 3.31Å; V336-G470 WeakPolarHBondContact O-CA 3.33Å |
| 337 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135 | 179.3 | -53.9 | -177.4 | 0 | 0 | 0 | 107.9 | F341 V349 F350 V397 L408 M475 | I337-F341 HydrophobicContact CG2-CZ 4.42Å; I337-V349 CarbonylContact O-C 3.44Å; I337-V349 WeakPolarHBondContact O-CA 3.31Å; I337-F350 HydrophobicContact CB-CB 4.33Å; I337-F350 PolarHBondContact N-O 3.35Å; I337-F350 PolarHBondContact O-N 3.43Å; I337-V397 HydrophobicContact CD1-CG1 4.39Å; I337-V397 HydrophobicContact CG2-CG1 3.75Å; I337-V397 HydrophobicContact CG2-CG2 4.14Å; I337-L408 HydrophobicContact CD1-CD1 3.75Å; I337-M475 HydrophobicContact CB-CE 4.35Å; I337-M475 HydrophobicContact CD1-CE 4.02Å; I337-M475 HydrophobicContact CG1-CE 3.68Å; I337-M475 HydrophobicContact CG2-CE 4.13Å; I337-M475 HydrophobicContact CG2-SD 4.1Å |
| 338 | A | 98.5 | Very high | 97.7 | Very high | 23 Ų | 23 | 16.6 Ų | 16.6 | 19% | 0.19 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A287 A289 F291 E348 | A287-A338 HydrophobicContact CB-CB 3.91Å; A289-A338 HydrophobicContact CB-CB 4.34Å; F291-A338 HydrophobicContact CE1-CB 4.49Å; F291-A338 HydrophobicContact CZ-CB 4.06Å; A338-E348 VanDerWaalsContact CA-O 3.25Å; A338-E348 WeakPolarHBondContact CA-O 3.37Å |
| 339 | A | 98 | Very high | 97.7 | Very high | 10 Ų | 10 | 15.8 Ų | 15.8 | 8% | 0.083 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 157.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F341 E348 V397 L406 | A339-F341 HydrophobicContact CB-CD1 4.42Å; A339-F341 HydrophobicContact CB-CD2 4.27Å; A339-F341 HydrophobicContact CB-CE1 4.12Å; A339-F341 HydrophobicContact CB-CE2 3.93Å; A339-F341 HydrophobicContact CB-CG 4.49Å; A339-F341 HydrophobicContact CB-CZ 3.85Å; A339-E348 PolarHBondContact N-O 3.21Å; A339-E348 WeakPolarHBondContact O-CA 3.37Å; A339-E348 PolarHBondContact O-N 2.97Å; A339-V397 HydrophobicContact CB-CG2 4.23Å; A339-L406 HydrophobicContact CB-CD1 3.88Å |
| 340 | D | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | trans | -95 | 88 | 171.9 | -177.4 | -16.7 | 0 | 0 | 0 | 107.2 | N343 D344 K345 E346 L347 R463 G482 | D340-N343 VanDerWaalsContact OD1-C 3.29Å; D340-N343 WeakPolarHBondContact OD1-CA 3.47Å; D340-N343 PolarHBondContact OD1-N 2.93Å; D340-D344 PolarHBondContact OD1-N 2.69Å; D340-K345 VanDerWaalsContact OD2-CA 3.3Å; D340-K345 WeakPolarHBondContact OD2-CA 3.37Å; D340-K345 PolarHBondContact OD2-N 2.93Å; D340-E346 WeakPolarHBondContact CB-O 3.45Å; D340-E346 VanDerWaalsContact CG-O 3.22Å; D340-L347 HydrophobicContact CB-CD2 4.23Å; D340-R463 IonicContact OD2-NH2 3.13Å; D340-R463 PolarHBondContact OD2-NH2 3.26Å; D340-G482 WeakPolarHBondContact OD2-CA 3.42Å; D340-G482 PolarHBondContact OD2-N 3.18Å | ||
| 341 | F | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -75.5 | -39.4 | -167.1 | -77.1 | -71.2 | 0 | 0 | 0 | 112.3 | M25 F26 I337 A339 E348 F350 L364 V397 L406 V425 | M25-F341 HydrophobicContact SD-CB 4.14Å; F26-F341 AromaticContact CE1-CD1 3.68Å; F26-F341 HydrophobicContact CE1-CD1 3.68Å; F26-F341 AromaticContact CE1-CE1 3.88Å; F26-F341 HydrophobicContact CE1-CE1 3.88Å; F26-F341 HydrophobicContact CE1-CG 4.1Å; F26-F341 HydrophobicContact CE1-CZ 4.47Å; F26-F341 HydrophobicContact CZ-CB 4.47Å; F26-F341 AromaticContact CZ-CD1 3.64Å; F26-F341 HydrophobicContact CZ-CD1 3.64Å; F26-F341 AromaticContact CZ-CD2 3.84Å; F26-F341 HydrophobicContact CZ-CD2 3.84Å; F26-F341 AromaticContact CZ-CE1 3.67Å; F26-F341 HydrophobicContact CZ-CE1 3.67Å; F26-F341 AromaticContact CZ-CE2 3.9Å; F26-F341 HydrophobicContact CZ-CE2 3.9Å; F26-F341 AromaticContact CZ-CG 3.72Å; F26-F341 HydrophobicContact CZ-CG 3.72Å; F26-F341 AromaticContact CZ-CZ 3.82Å; F26-F341 HydrophobicContact CZ-CZ 3.82Å; I337-F341 HydrophobicContact CG2-CZ 4.42Å; A339-F341 HydrophobicContact CB-CD1 4.42Å; A339-F341 HydrophobicContact CB-CD2 4.27Å; A339-F341 HydrophobicContact CB-CE1 4.12Å; A339-F341 HydrophobicContact CB-CE2 3.93Å; A339-F341 HydrophobicContact CB-CG 4.49Å; A339-F341 HydrophobicContact CB-CZ 3.85Å; F341-E348 HydrophobicContact CD2-CB 3.74Å; F341-E348 HydrophobicContact CD2-CG 4.26Å; F341-E348 HydrophobicContact CE2-CB 4.13Å; F341-E348 PolarHBondContact N-OE2 3.29Å; F341-F350 HydrophobicContact CE2-CB 4.32Å; F341-F350 HydrophobicContact CZ-CB 4.5Å; F341-L364 HydrophobicContact CD2-CD1 4.34Å; F341-L364 HydrophobicContact CE2-CD1 4.21Å; F341-V397 HydrophobicContact CE1-CB 4.46Å; F341-V397 HydrophobicContact CE1-CG1 3.5Å; F341-V397 HydrophobicContact CZ-CG1 3.79Å; F341-L406 HydrophobicContact CD1-CB 4.33Å; F341-V425 HydrophobicContact CB-CG2 3.85Å; F341-V425 HydrophobicContact CD1-CG2 3.99Å; F341-V425 HydrophobicContact CG-CG2 4.33Å; F341-V425 WeakPolarHBondContact O-CG1 3.31Å |
| 342 | D | 97.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 9.4 Ų | 9.4 | 4% | 0.037 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -101.5 | 17.6 | -176.5 | 70.1 | -10.3 | 0 | 0 | 0 | 112.9 | M25 D344 R366 V425 Q427 G428 N431 | M25-D342 HydrophobicContact CE-CB 4.1Å; M25-D342 HydrophobicContact SD-CB 4.11Å; D342-D344 PolarHBondContact O-N 2.75Å; D342-D344 VanDerWaalsContact O-N 3.1Å; D342-D344 WeakPolarHBondContact OD1-CB 3.44Å; D342-D344 PolarHBondContact OD1-N 3.43Å; D342-R366 VanDerWaalsContact CG-NH2 3.29Å; D342-R366 IonicContact OD1-NH2 2.65Å; D342-R366 PolarHBondContact OD1-NH2 3.21Å; D342-R366 IonicContact OD2-CZ 3.24Å; D342-R366 IonicContact OD2-NH1 3.36Å; D342-R366 IonicContact OD2-NH2 3.57Å; D342-R366 PolarHBondContact OD2-NH2 3.48Å; D342-V425 HydrophobicContact CB-CG1 4.33Å; D342-Q427 HydrophobicContact CB-CB 3.75Å; D342-G428 WeakPolarHBondContact O-CA 3.24Å; D342-N431 PolarHBondContact O-ND2 3.49Å |
| 343 | N | 98 | Very high | 97.8 | Very high | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | S | Bend | trans | 56.4 | 26.4 | 175.3 | -71 | -34.1 | 0 | 0 | 0 | 113.8 | D340 G404 N431 H480 G482 L483 G484 | D340-N343 VanDerWaalsContact OD1-C 3.29Å; D340-N343 WeakPolarHBondContact OD1-CA 3.47Å; D340-N343 PolarHBondContact OD1-N 2.93Å; N343-G404 PolarHBondContact ND2-O 2.81Å; N343-N431 HydrophobicContact CB-CB 3.59Å; N343-N431 WeakPolarHBondContact O-CB 3.24Å; N343-H480 PolarHBondContact OD1-CE1 2.85Å; N343-H480 PolarHBondContact OD1-NE2 3.11Å; N343-G482 VanDerWaalsContact CA-CA 3.43Å; N343-G482 CarbonylContact O-C 3.57Å; N343-G482 WeakPolarHBondContact O-CA 3.32Å; N343-L483 PolarHBondContact O-N 2.79Å; N343-G484 WeakPolarHBondContact O-CA 3.5Å; N343-G484 PolarHBondContact O-N 3.38Å |
| 344 | D | 96.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 8.8 Ų | 8.8 | 17% | 0.166 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -88.7 | -2.5 | -172.3 | 84.6 | -1.8 | 0 | 0 | 0 | 114.3 | D340 D342 E346 R366 | D340-D344 PolarHBondContact OD1-N 2.69Å; D342-D344 PolarHBondContact O-N 2.75Å; D342-D344 VanDerWaalsContact O-N 3.1Å; D342-D344 WeakPolarHBondContact OD1-CB 3.44Å; D342-D344 PolarHBondContact OD1-N 3.43Å; D344-E346 VanDerWaalsContact C-N 3.35Å; D344-E346 WeakPolarHBondContact OD1-CA 3.36Å; D344-E346 VanDerWaalsContact OD1-CB 3.26Å; D344-E346 WeakPolarHBondContact OD1-CB 3.4Å; D344-E346 PolarHBondContact OD1-N 2.89Å; D344-R366 IonicContact OD2-CZ 3.42Å; D344-R366 IonicContact OD2-NE 2.68Å; D344-R366 IonicContact OD2-NH1 3.64Å; D344-R366 PolarHBondContact OD2-NH1 2.95Å; D344-R366 VanDerWaalsContact OD2-NH1 3.15Å; D344-R366 IonicContact OD2-NH2 2.7Å |
| 345 | K | 95.6 | Very high | 97.8 | Very high | 44 Ų | 44 | 8.6 Ų | 8.6 | 19% | 0.191 | 5% | 0.048 | C | C | . | . | S | Bend | trans | 89.2 | -16.9 | -174.6 | -58.9 | 170.4 | -66.5 | -53 | 0 | 114.1 | D340 S458 L461 G482 L483 D486 | D340-K345 VanDerWaalsContact OD2-CA 3.3Å; D340-K345 WeakPolarHBondContact OD2-CA 3.37Å; D340-K345 PolarHBondContact OD2-N 2.93Å; K345-S458 WeakPolarHBondContact CD-OG 3.48Å; K345-S458 VanDerWaalsContact CE-OG 3.32Å; K345-S458 WeakPolarHBondContact CE-OG 3.27Å; K345-L461 HydrophobicContact CB-CD1 4.43Å; K345-L461 HydrophobicContact CB-CD2 4.28Å; K345-L461 HydrophobicContact CG-CD1 4.18Å; K345-G482 WeakPolarHBondContact CA-O 3.41Å; K345-G482 WeakPolarHBondContact CG-O 3.44Å; K345-L483 WeakPolarHBondContact CD-O 3.32Å; K345-L483 PolarHBondContact NZ-O 2.82Å; K345-D486 HydrophobicContact CD-CB 4.1Å |
| 346 | E | 96 | Very high | 97.4 | Very high | 45 Ų | 45 | 12.7 Ų | 12.7 | 21% | 0.21 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -86.8 | 156.6 | 178 | -51.3 | -155.5 | 128.7 | 0 | 0 | 110 | D340 D344 R366 S368 R369 | D340-E346 WeakPolarHBondContact CB-O 3.45Å; D340-E346 VanDerWaalsContact CG-O 3.22Å; D344-E346 VanDerWaalsContact C-N 3.35Å; D344-E346 WeakPolarHBondContact OD1-CA 3.36Å; D344-E346 VanDerWaalsContact OD1-CB 3.26Å; D344-E346 WeakPolarHBondContact OD1-CB 3.4Å; D344-E346 PolarHBondContact OD1-N 2.89Å; E346-R366 HydrophobicContact CB-CG 4.05Å; E346-R366 WeakPolarHBondContact OE2-CD 3.28Å; E346-R366 WeakPolarHBondContact OE2-CG 3.46Å; E346-S368 VanDerWaalsContact CD-CA 3.45Å; E346-S368 VanDerWaalsContact CD-CB 3.43Å; E346-S368 WeakPolarHBondContact OE1-CA 3.39Å; E346-S368 WeakPolarHBondContact OE1-CB 3.44Å; E346-S368 PolarHBondContact OE1-OG 3.31Å; E346-S368 WeakPolarHBondContact OE2-CA 3.43Å; E346-S368 WeakPolarHBondContact OE2-CB 3.31Å; E346-S368 PolarHBondContact OE2-OG 3.38Å; E346-R369 PolarHBondContact OE1-N 3.46Å |
| 347 | L | 97.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.5 | 178.4 | -73.3 | 171.1 | 0 | 0 | 0 | 108.7 | A289 F291 D340 V367 | A289-L347 HydrophobicContact CB-CD1 3.56Å; F291-L347 HydrophobicContact CD1-CB 4.08Å; F291-L347 HydrophobicContact CD1-CD1 4.2Å; F291-L347 HydrophobicContact CE1-CB 4.04Å; F291-L347 HydrophobicContact CE1-CD1 4.35Å; D340-L347 HydrophobicContact CB-CD2 4.23Å; L347-V367 PolarHBondContact O-N 2.84Å |
| 348 | E | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 152.7 | 165 | -75.8 | 73.6 | -126.6 | 0 | 0 | 111.8 | M25 A338 A339 F341 L364 F365 R366 L380 | M25-E348 HydrophobicContact CE-CG 4.5Å; A338-E348 VanDerWaalsContact CA-O 3.25Å; A338-E348 WeakPolarHBondContact CA-O 3.37Å; A339-E348 PolarHBondContact N-O 3.21Å; A339-E348 WeakPolarHBondContact O-CA 3.37Å; A339-E348 PolarHBondContact O-N 2.97Å; F341-E348 HydrophobicContact CD2-CB 3.74Å; F341-E348 HydrophobicContact CD2-CG 4.26Å; F341-E348 HydrophobicContact CE2-CB 4.13Å; F341-E348 PolarHBondContact N-OE2 3.29Å; E348-L364 HydrophobicContact CB-CD1 3.71Å; E348-L364 HydrophobicContact CB-CG 4.47Å; E348-L364 HydrophobicContact CG-CD1 3.99Å; E348-L364 HydrophobicContact CG-CG 4.27Å; E348-F365 CarbonylContact C-O 3.44Å; E348-F365 WeakPolarHBondContact CA-O 3.14Å; E348-R366 IonicContact OE1-CZ 2.77Å; E348-R366 IonicContact OE1-NE 2.67Å; E348-R366 PolarHBondContact OE1-NE 3.3Å; E348-R366 IonicContact OE1-NH2 2.86Å; E348-R366 PolarHBondContact OE1-NH2 2.8Å; E348-R366 VanDerWaalsContact OE1-NH2 3.15Å; E348-L380 HydrophobicContact CG-CD1 3.95Å |
| 349 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.9 | 168.6 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | F291 V300 F327 V336 I337 F351 L364 F365 V367 | F291-V349 HydrophobicContact CE1-CG2 3.59Å; F291-V349 HydrophobicContact CZ-CG2 3.76Å; V300-V349 HydrophobicContact CG2-CG1 3.86Å; V300-V349 HydrophobicContact CG2-CG2 4.31Å; F327-V349 HydrophobicContact CE2-CB 4.18Å; F327-V349 HydrophobicContact CE2-CG1 4.16Å; F327-V349 HydrophobicContact CE2-CG2 4.4Å; F327-V349 HydrophobicContact CZ-CG1 4.43Å; V336-V349 HydrophobicContact CG1-CG1 3.85Å; I337-V349 CarbonylContact O-C 3.44Å; I337-V349 WeakPolarHBondContact O-CA 3.31Å; V349-F351 HydrophobicContact CG1-CD1 3.78Å; V349-F351 HydrophobicContact CG1-CE1 3.29Å; V349-F351 HydrophobicContact CG1-CZ 3.99Å; V349-L364 WeakPolarHBondContact O-CA 3.41Å; V349-F365 PolarHBondContact N-O 2.85Å; V349-F365 PolarHBondContact O-N 2.93Å; V349-V367 HydrophobicContact CG2-CG2 4Å |
| 350 | F | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.9 | 174.3 | -177.2 | -94.4 | 0 | 0 | 0 | 110.7 | F26 V336 I337 F341 N352 N362 L364 V382 A385 L408 L410 | F26-F350 HydrophobicContact CE2-CD2 4.08Å; F26-F350 HydrophobicContact CE2-CE2 4.32Å; V336-F350 WeakPolarHBondContact CA-O 3.4Å; I337-F350 HydrophobicContact CB-CB 4.33Å; I337-F350 PolarHBondContact N-O 3.35Å; I337-F350 PolarHBondContact O-N 3.43Å; F341-F350 HydrophobicContact CE2-CB 4.32Å; F341-F350 HydrophobicContact CZ-CB 4.5Å; F350-N352 HydrophobicContact CD1-CB 4.38Å; F350-N352 HydrophobicContact CE1-CB 3.88Å; F350-N362 HydrophobicContact CE1-CB 4.32Å; F350-N362 HydrophobicContact CE2-CB 3.9Å; F350-N362 HydrophobicContact CZ-CB 3.54Å; F350-L364 HydrophobicContact CB-CD1 4.01Å; F350-L364 HydrophobicContact CD2-CD1 4.15Å; F350-V382 HydrophobicContact CE2-CG1 3.8Å; F350-A385 HydrophobicContact CE2-CB 4.24Å; F350-A385 HydrophobicContact CZ-CB 4.44Å; F350-L408 HydrophobicContact CD1-CD2 4.44Å; F350-L408 HydrophobicContact CD2-CD2 4.33Å; F350-L408 HydrophobicContact CE1-CD2 4.11Å; F350-L408 HydrophobicContact CE2-CD2 3.98Å; F350-L408 HydrophobicContact CZ-CD2 3.86Å; F350-L410 HydrophobicContact CE1-CD1 4.05Å; F350-L410 HydrophobicContact CE1-CD2 3.82Å; F350-L410 HydrophobicContact CZ-CD1 3.88Å; F350-L410 HydrophobicContact CZ-CD2 4.44Å |
| 351 | F | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 110.8 | 177.4 | -75.5 | -9.8 | 0 | 0 | 0 | 110 | V300 H308 F327 I333 V336 V349 N362 R363 F365 | V300-F351 HydrophobicContact CG2-CE1 4.47Å; H308-F351 HydrophobicContact CB-CE2 4.12Å; H308-F351 HydrophobicContact CB-CZ 4Å; H308-F351 AromaticContact CD2-CD2 3.71Å; H308-F351 AromaticContact CD2-CE2 3.37Å; H308-F351 WeakPolarHBondContact CD2-CE2 3.23Å; H308-F351 AromaticContact CG-CE2 3.99Å; F327-F351 HydrophobicContact CD2-CE2 4.31Å; F327-F351 HydrophobicContact CD2-CZ 4.23Å; F327-F351 HydrophobicContact CE1-CZ 4.05Å; F327-F351 HydrophobicContact CE2-CE2 4.23Å; F327-F351 AromaticContact CE2-CZ 3.71Å; F327-F351 HydrophobicContact CE2-CZ 3.71Å; F327-F351 HydrophobicContact CZ-CE1 4.4Å; F327-F351 HydrophobicContact CZ-CE2 4.42Å; F327-F351 AromaticContact CZ-CZ 3.61Å; F327-F351 HydrophobicContact CZ-CZ 3.61Å; I333-F351 HydrophobicContact CD1-CB 3.39Å; I333-F351 HydrophobicContact CD1-CD1 4.02Å; I333-F351 HydrophobicContact CD1-CD2 4.49Å; I333-F351 HydrophobicContact CD1-CG 3.73Å; V336-F351 HydrophobicContact CB-CD1 4.43Å; V336-F351 HydrophobicContact CG1-CD1 4.06Å; V336-F351 HydrophobicContact CG1-CE1 3.88Å; V336-F351 HydrophobicContact CG2-CD1 3.82Å; V336-F351 HydrophobicContact CG2-CE1 3.93Å; V349-F351 HydrophobicContact CG1-CD1 3.78Å; V349-F351 HydrophobicContact CG1-CE1 3.29Å; V349-F351 HydrophobicContact CG1-CZ 3.99Å; F351-N362 WeakPolarHBondContact O-CA 3.27Å; F351-N362 VanDerWaalsContact O-CB 3.31Å; F351-N362 WeakPolarHBondContact O-CB 3.2Å; F351-R363 HydrophobicContact CB-CB 4.28Å; F351-R363 PolarHBondContact N-O 2.84Å; F351-R363 PolarHBondContact O-N 3.29Å; F351-R363 VanDerWaalsContact O-N 3.09Å; F351-F365 HydrophobicContact CD2-CD2 4.21Å; F351-F365 AromaticContact CD2-CE2 3.64Å; F351-F365 HydrophobicContact CD2-CE2 3.64Å; F351-F365 HydrophobicContact CE2-CD2 4.13Å; F351-F365 AromaticContact CE2-CE2 3.71Å; F351-F365 HydrophobicContact CE2-CE2 3.71Å |
| 352 | N | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.1 | 174.5 | -178.9 | -118.2 | 0 | 0 | 0 | 110.9 | I333 R334 T335 F350 N362 G392 | I333-N352 WeakPolarHBondContact CD1-O 3.16Å; R334-N352 PolarHBondContact N-O 3.19Å; T335-N352 HydrophobicContact CG2-CB 3.32Å; T335-N352 PolarHBondContact N-O 2.69Å; T335-N352 PolarHBondContact O-N 3.1Å; F350-N352 HydrophobicContact CD1-CB 4.38Å; F350-N352 HydrophobicContact CE1-CB 3.88Å; N352-N362 VanDerWaalsContact CA-OD1 3.28Å; N352-N362 WeakPolarHBondContact CA-OD1 3.36Å; N352-N362 PolarHBondContact ND2-OD1 3.21Å; N352-G392 VanDerWaalsContact OD1-C 3.32Å; N352-G392 WeakPolarHBondContact OD1-CA 3.49Å |
| 353 | N | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.011 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 154.2 | -178.3 | -72.4 | -46.4 | 0 | 0 | 0 | 111.3 | S331 P332 I333 A360 P361 N362 G392 | S331-N353 VanDerWaalsContact CB-OD1 3.32Å; S331-N353 WeakPolarHBondContact CB-OD1 3.48Å; S331-N353 PolarHBondContact OG-ND2 3.26Å; S331-N353 PolarHBondContact OG-OD1 3.34Å; P332-N353 HydrophobicContact CG-CB 4.49Å; P332-N353 WeakPolarHBondContact O-CA 3.43Å; I333-N353 VanDerWaalsContact CA-OD1 3.23Å; I333-N353 WeakPolarHBondContact CA-OD1 2.85Å; I333-N353 PolarHBondContact N-OD1 2.8Å; N353-A360 HydrophobicContact CB-CB 4.04Å; N353-A360 VanDerWaalsContact CB-O 3.28Å; N353-A360 WeakPolarHBondContact CB-O 3.21Å; N353-P361 PolarHBondContact ND2-O 2.86Å; N353-N362 PolarHBondContact N-OD1 2.98Å; N353-G392 PolarHBondContact O-N 3.15Å |
| 354 | I | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -102 | 122.5 | 170.4 | -167.7 | 177 | 0 | 0 | 0 | 110.7 | W304 P332 R334 Y356 R391 G392 E414 | W304-I354 HydrophobicContact CH2-CG2 3.45Å; W304-I354 VanDerWaalsContact CH2-CG2 3.45Å; W304-I354 HydrophobicContact CZ3-CG2 3.42Å; W304-I354 VanDerWaalsContact CZ3-CG2 3.42Å; P332-I354 HydrophobicContact CB-CG2 4.16Å; P332-I354 WeakPolarHBondContact CG-O 3.05Å; P332-I354 WeakPolarHBondContact O-CG2 3.4Å; P332-I354 PolarHBondContact O-N 2.65Å; R334-I354 HydrophobicContact CG-CB 3.99Å; R334-I354 HydrophobicContact CG-CG2 4.02Å; I354-Y356 HydrophobicContact CG2-CD1 4.07Å; I354-Y356 PolarHBondContact O-N 3.06Å; I354-R391 HydrophobicContact CG1-CB 4.19Å; I354-G392 WeakPolarHBondContact CB-O 3.46Å; I354-E414 HydrophobicContact CD1-CB 3.97Å; I354-E414 HydrophobicContact CD1-CG 4.38Å |
| 355 | A | 97.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | trans | -74.9 | 109.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110 | G390 S415 | A355-G390 VanDerWaalsContact CB-O 3.29Å; A355-G390 WeakPolarHBondContact CB-O 3.31Å; A355-G390 PolarHBondContact N-O 2.77Å; A355-S415 PolarHBondContact O-OG 2.68Å | ||
| 356 | Y | 86.9 | Confident | 97 | Very high | 87 Ų | 87 | 30.1 Ų | 30.1 | 34% | 0.341 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -135.7 | -11.7 | -179.2 | 80.5 | -71.6 | 0 | 0 | 0 | 114.8 | W304 N305 P332 I354 | W304-Y356 AromaticContact CH2-CD1 3.85Å; W304-Y356 HydrophobicContact CH2-CD1 3.85Å; W304-Y356 AromaticContact CH2-CE1 3.58Å; W304-Y356 HydrophobicContact CH2-CE1 3.58Å; W304-Y356 HydrophobicContact CH2-CG 4.47Å; W304-Y356 AromaticContact CH2-CZ 3.94Å; W304-Y356 HydrophobicContact CZ2-CD1 4.27Å; W304-Y356 AromaticContact CZ2-CE1 3.65Å; W304-Y356 HydrophobicContact CZ2-CE1 3.65Å; W304-Y356 HydrophobicContact CZ2-CE2 4.05Å; W304-Y356 AromaticContact CZ2-CZ 3.51Å; N305-Y356 PolarHBondContact ND2-OH 2.67Å; P332-Y356 HydrophobicContact CB-CD1 4.03Å; P332-Y356 HydrophobicContact CB-CE1 3.57Å; P332-Y356 HydrophobicContact CG-CE1 4.26Å; I354-Y356 HydrophobicContact CG2-CD1 4.07Å; I354-Y356 PolarHBondContact O-N 3.06Å |
| 357 | R | 88.2 | Confident | 97.1 | Very high | 219 Ų | 219 | 28 Ų | 28 | 83% | 0.826 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -146.4 | 21.8 | 176.7 | -67.8 | -175.3 | -179.3 | -178.7 | 0.8 | 113.3 | ||
| 358 | G | 93.9 | Very high | 97 | Very high | 41 Ų | 41 | 28.1 Ų | 28.1 | 42% | 0.423 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 138.3 | 177.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A360 | G358-A360 PolarHBondContact O-N 2.64Š|
| 359 | D | 97.4 | Very high | 96.7 | Very high | 106 Ų | 106 | 31 Ų | 31 | 57% | 0.567 | 15% | 0.152 | S | C | * | . | trans | -60 | 131.2 | -179.2 | -60.6 | 46.1 | 0 | 0 | 0 | 110.8 | P388 Q389 | D359-P388 CarbonylContact C-O 3.48Å; D359-P388 VanDerWaalsContact CA-O 3.23Å; D359-P388 WeakPolarHBondContact CA-O 3.04Å; D359-P388 HydrophobicContact CB-CB 4.11Å; D359-Q389 PolarHBondContact OD1-NE2 3.09Å; D359-Q389 PolarHBondContact OD2-NE2 3.08Å | ||
| 360 | A | 97.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | trans | -139.3 | 77.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | P332 N353 G358 P388 | P332-A360 HydrophobicContact CG-CB 3.53Å; N353-A360 HydrophobicContact CB-CB 4.04Å; N353-A360 VanDerWaalsContact CB-O 3.28Å; N353-A360 WeakPolarHBondContact CB-O 3.21Å; G358-A360 PolarHBondContact O-N 2.64Å; A360-P388 PolarHBondContact N-O 3.33Å | ||
| 361 | P | 98.3 | Very high | 95.9 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 40% | 0.403 | 21% | 0.213 | S | C | . | . | trans | -63.6 | 142.9 | -176.9 | 26.6 | -34.2 | 0 | 0 | 0 | 111.7 | N353 A386 P388 | N353-P361 PolarHBondContact ND2-O 2.86Å; P361-A386 CarbonylContact C-O 3.53Å; P361-A386 WeakPolarHBondContact CA-O 3.42Å; P361-P388 HydrophobicContact CB-CB 4.2Å | ||
| 362 | N | 98.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | trans | -60.5 | 154.6 | 167 | -60 | -33.8 | 0 | 0 | 0 | 110 | F350 F351 N352 N353 A385 A386 | F350-N362 HydrophobicContact CE1-CB 4.32Å; F350-N362 HydrophobicContact CE2-CB 3.9Å; F350-N362 HydrophobicContact CZ-CB 3.54Å; F351-N362 WeakPolarHBondContact O-CA 3.27Å; F351-N362 VanDerWaalsContact O-CB 3.31Å; F351-N362 WeakPolarHBondContact O-CB 3.2Å; N352-N362 VanDerWaalsContact CA-OD1 3.28Å; N352-N362 WeakPolarHBondContact CA-OD1 3.36Å; N352-N362 PolarHBondContact ND2-OD1 3.21Å; N353-N362 PolarHBondContact N-OD1 2.98Å; N362-A385 VanDerWaalsContact CB-O 3.29Å; N362-A385 WeakPolarHBondContact CB-O 3.32Å; N362-A385 PolarHBondContact ND2-O 2.85Å; N362-A386 PolarHBondContact N-O 3.48Å | ||
| 363 | R | 98.6 | Very high | 95 | Very high | 28 Ų | 28 | 55.5 Ų | 55.5 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 149.1 | -179.3 | -64.7 | -179.4 | -71.5 | 170.6 | -8.9 | 110.2 | H308 N326 S329 S331 F351 F365 | H308-R363 PolarHBondContact CD2-NH2 3.34Å; H308-R363 PolarHBondContact NE2-NH2 3.07Å; N326-R363 PolarHBondContact O-NH1 3.33Å; S329-R363 PolarHBondContact O-NH1 3.27Å; S329-R363 PolarHBondContact O-NH2 3.1Å; S331-R363 VanDerWaalsContact CB-NH2 3.27Å; S331-R363 PolarHBondContact OG-NH2 2.65Å; F351-R363 HydrophobicContact CB-CB 4.28Å; F351-R363 PolarHBondContact N-O 2.84Å; F351-R363 PolarHBondContact O-N 3.29Å; F351-R363 VanDerWaalsContact O-N 3.09Å; R363-F365 HydrophobicContact CB-CD2 4.47Å; R363-F365 HydrophobicContact CB-CE2 3.61Å; R363-F365 HydrophobicContact CB-CZ 4.08Å |
| 364 | L | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 136.6 | 178.3 | -176.2 | 68.6 | 0 | 0 | 0 | 108.9 | M25 F26 F341 E348 V349 F350 L380 V382 | M25-L364 HydrophobicContact CB-CD2 3.51Å; M25-L364 HydrophobicContact CE-CD2 4.23Å; M25-L364 HydrophobicContact CG-CD2 3.61Å; F26-L364 HydrophobicContact CE2-CD1 4.29Å; F26-L364 HydrophobicContact CE2-CD2 3.95Å; F341-L364 HydrophobicContact CD2-CD1 4.34Å; F341-L364 HydrophobicContact CE2-CD1 4.21Å; E348-L364 HydrophobicContact CB-CD1 3.71Å; E348-L364 HydrophobicContact CB-CG 4.47Å; E348-L364 HydrophobicContact CG-CD1 3.99Å; E348-L364 HydrophobicContact CG-CG 4.27Å; V349-L364 WeakPolarHBondContact O-CA 3.41Å; F350-L364 HydrophobicContact CB-CD1 4.01Å; F350-L364 HydrophobicContact CD2-CD1 4.15Å; L364-L380 HydrophobicContact CB-CB 4.36Å; L364-L380 HydrophobicContact CD2-CB 3.93Å; L364-L380 HydrophobicContact CD2-CD1 3.92Å; L364-L380 HydrophobicContact CG-CB 4.13Å; L364-L380 HydrophobicContact CG-CD1 4.22Å; L364-L380 PolarHBondContact O-N 2.94Å; L364-V382 HydrophobicContact CB-CG2 3.84Å |
| 365 | F | 98.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 133.3 | 178.2 | -59 | -92.2 | 0 | 0 | 0 | 109.9 | N326 F327 E348 V349 F351 R363 I377 D378 Q379 | N326-F365 HydrophobicContact CB-CE1 4.16Å; F327-F365 HydrophobicContact CB-CD1 4.24Å; F327-F365 HydrophobicContact CB-CE1 4.09Å; F327-F365 HydrophobicContact CB-CZ 4.42Å; F327-F365 HydrophobicContact CD2-CB 3.95Å; F327-F365 AromaticContact CD2-CD1 3.96Å; F327-F365 HydrophobicContact CD2-CD1 3.96Å; F327-F365 AromaticContact CD2-CD2 3.76Å; F327-F365 HydrophobicContact CD2-CD2 3.76Å; F327-F365 HydrophobicContact CD2-CE1 4.41Å; F327-F365 HydrophobicContact CD2-CE2 4.23Å; F327-F365 AromaticContact CD2-CG 3.62Å; F327-F365 HydrophobicContact CD2-CG 3.62Å; F327-F365 HydrophobicContact CE2-CB 4.29Å; F327-F365 HydrophobicContact CE2-CD2 4.23Å; F327-F365 HydrophobicContact CE2-CG 4.28Å; E348-F365 CarbonylContact C-O 3.44Å; E348-F365 WeakPolarHBondContact CA-O 3.14Å; V349-F365 PolarHBondContact N-O 2.85Å; V349-F365 PolarHBondContact O-N 2.93Å; F351-F365 HydrophobicContact CD2-CD2 4.21Å; F351-F365 AromaticContact CD2-CE2 3.64Å; F351-F365 HydrophobicContact CD2-CE2 3.64Å; F351-F365 HydrophobicContact CE2-CD2 4.13Å; F351-F365 AromaticContact CE2-CE2 3.71Å; F351-F365 HydrophobicContact CE2-CE2 3.71Å; R363-F365 HydrophobicContact CB-CD2 4.47Å; R363-F365 HydrophobicContact CB-CE2 3.61Å; R363-F365 HydrophobicContact CB-CZ 4.08Å; F365-I377 HydrophobicContact CB-CG2 3.96Å; F365-I377 HydrophobicContact CD1-CG2 4.08Å; F365-I377 HydrophobicContact CG-CG2 4.31Å; F365-D378 CarbonylContact C-O 3.59Å; F365-D378 VanDerWaalsContact CA-O 3.25Å; F365-D378 WeakPolarHBondContact CA-O 3.21Å; F365-Q379 HydrophobicContact CD1-CB 3.73Å; F365-Q379 HydrophobicContact CD1-CG 4.02Å; F365-Q379 HydrophobicContact CE1-CB 3.65Å; F365-Q379 HydrophobicContact CE1-CG 3.68Å; F365-Q379 HydrophobicContact CZ-CG 4.19Å |
| 366 | R | 98.4 | Very high | 94.8 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 135.1 | 166.7 | -176.4 | 161.6 | -68.5 | 164 | 0.7 | 109.9 | D342 D344 E346 E348 I377 D378 L380 | D342-R366 VanDerWaalsContact CG-NH2 3.29Å; D342-R366 IonicContact OD1-NH2 2.65Å; D342-R366 PolarHBondContact OD1-NH2 3.21Å; D342-R366 IonicContact OD2-CZ 3.24Å; D342-R366 IonicContact OD2-NH1 3.36Å; D342-R366 IonicContact OD2-NH2 3.57Å; D342-R366 PolarHBondContact OD2-NH2 3.48Å; D344-R366 IonicContact OD2-CZ 3.42Å; D344-R366 IonicContact OD2-NE 2.68Å; D344-R366 IonicContact OD2-NH1 3.64Å; D344-R366 PolarHBondContact OD2-NH1 2.95Å; D344-R366 VanDerWaalsContact OD2-NH1 3.15Å; D344-R366 IonicContact OD2-NH2 2.7Å; E346-R366 HydrophobicContact CB-CG 4.05Å; E346-R366 WeakPolarHBondContact OE2-CD 3.28Å; E346-R366 WeakPolarHBondContact OE2-CG 3.46Å; E348-R366 IonicContact OE1-CZ 2.77Å; E348-R366 IonicContact OE1-NE 2.67Å; E348-R366 PolarHBondContact OE1-NE 3.3Å; E348-R366 IonicContact OE1-NH2 2.86Å; E348-R366 PolarHBondContact OE1-NH2 2.8Å; E348-R366 VanDerWaalsContact OE1-NH2 3.15Å; R366-I377 WeakPolarHBondContact O-CA 3.3Å; R366-D378 PolarHBondContact N-O 3.32Å; R366-D378 PolarHBondContact O-N 3.05Å; R366-L380 HydrophobicContact CB-CD1 4.01Å; R366-L380 HydrophobicContact CB-CD2 4.18Å; R366-L380 HydrophobicContact CB-CG 4.12Å |
| 367 | V | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 96.4 | 173.6 | -172 | 0 | 0 | 0 | 0 | 108.7 | F291 L310 L347 V349 P375 S376 | F291-V367 HydrophobicContact CB-CG1 3.85Å; F291-V367 HydrophobicContact CD1-CB 3.72Å; F291-V367 HydrophobicContact CD1-CG1 3.8Å; F291-V367 HydrophobicContact CD1-CG2 3.86Å; F291-V367 HydrophobicContact CE1-CB 4.36Å; F291-V367 HydrophobicContact CE1-CG2 4.07Å; F291-V367 HydrophobicContact CG-CG1 4.15Å; L310-V367 HydrophobicContact CD2-CG1 4.28Å; L310-V367 HydrophobicContact CD2-CG2 4.25Å; L347-V367 PolarHBondContact O-N 2.84Å; V349-V367 HydrophobicContact CG2-CG2 4Å; V367-P375 HydrophobicContact CG1-CB 3.53Å; V367-P375 HydrophobicContact CG1-CG 4.21Å; V367-S376 CarbonylContact C-O 3.59Å; V367-S376 VanDerWaalsContact CA-O 3.31Å; V367-S376 WeakPolarHBondContact CA-O 3.22Å |
| 368 | S | 96 | Very high | 95.7 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.8 | -172.6 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | E346 P375 S376 | E346-S368 VanDerWaalsContact CD-CA 3.45Å; E346-S368 VanDerWaalsContact CD-CB 3.43Å; E346-S368 WeakPolarHBondContact OE1-CA 3.39Å; E346-S368 WeakPolarHBondContact OE1-CB 3.44Å; E346-S368 PolarHBondContact OE1-OG 3.31Å; E346-S368 WeakPolarHBondContact OE2-CA 3.43Å; E346-S368 WeakPolarHBondContact OE2-CB 3.31Å; E346-S368 PolarHBondContact OE2-OG 3.38Å; S368-P375 CarbonylContact O-C 3.59Å; S368-P375 WeakPolarHBondContact O-CA 3.26Å; S368-P375 VanDerWaalsContact O-CB 3.31Å; S368-P375 WeakPolarHBondContact O-CB 3.11Å; S368-S376 WeakPolarHBondContact CB-OG 3.41Å; S368-S376 PolarHBondContact N-O 2.63Å; S368-S376 PolarHBondContact O-N 3.46Å |
| 369 | R | 93.5 | Very high | 95.9 | Very high | 62 Ų | 62 | 52.4 Ų | 52.4 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | trans | -68.1 | 141.8 | -176.9 | -63.8 | 175.2 | -179.3 | -164.7 | -8 | 110.8 | D290 G293 E346 S460 | D290-R369 PolarHBondContact O-NH2 3.08Å; G293-R369 VanDerWaalsContact CA-CZ 3.47Å; E346-R369 PolarHBondContact OE1-N 3.46Å; R369-S460 PolarHBondContact NH1-O 3.05Å | ||
| 370 | R | 92.5 | Very high | 95.9 | Very high | 140 Ų | 140 | 49 Ų | 49 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | trans | -129.5 | 136.1 | 175.5 | -64.7 | -172.1 | 179.3 | -171.5 | -4 | 111.1 | H372 A373 D374 S376 | R370-H372 PolarHBondContact O-N 2.8Å; R370-A373 HydrophobicContact CB-CB 4.02Å; R370-D374 WeakPolarHBondContact CD-O 3.02Å; R370-S376 VanDerWaalsContact CZ-OG 3.25Å; R370-S376 PolarHBondContact NE-OG 3Å; R370-S376 PolarHBondContact NH2-OG 3.28Å | ||
| 371 | V | 87.1 | Confident | 95.9 | Very high | 125 Ų | 125 | 53.7 Ų | 53.7 | 76% | 0.758 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 123.2 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | A373 | V371-A373 PolarHBondContact O-N 3.05Š|
| 372 | H | 86.3 | Confident | 95.9 | Very high | 194 Ų | 194 | 51.4 Ų | 51.4 | 90% | 0.898 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 24.4 | 179.5 | -52.1 | -49.6 | 0 | 0 | 0 | 115.6 | R370 | R370-H372 PolarHBondContact O-N 2.8Š|
| 373 | A | 92.4 | Very high | 95.9 | Very high | 56 Ų | 56 | 52 Ų | 52 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -145.6 | 166.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R370 V371 | R370-A373 HydrophobicContact CB-CB 4.02Å; V371-A373 PolarHBondContact O-N 3.05Å |
| 374 | D | 94 | Very high | 95.9 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 147.1 | 168.7 | -68.3 | -6.9 | 0 | 0 | 0 | 110 | R320 R370 | R320-D374 IonicContact CZ-OD1 3.98Å; R320-D374 IonicContact CZ-OD2 3.91Å; R320-D374 IonicContact NH1-OD1 2.88Å; R320-D374 IonicContact NH1-OD2 2.86Å; R320-D374 PolarHBondContact NH1-OD2 2.98Å; R320-D374 VanDerWaalsContact NH2-CG 3.29Å; R320-D374 IonicContact NH2-OD1 2.9Å; R320-D374 PolarHBondContact NH2-OD1 2.8Å; R320-D374 IonicContact NH2-OD2 3.85Å; R320-D374 PolarHBondContact NH2-OD2 2.71Å; R370-D374 WeakPolarHBondContact CD-O 3.02Å |
| 375 | P | 96.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.071 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 147.9 | 172 | -26.4 | 35.4 | 0 | 0 | 0 | 112.5 | N292 I322 V367 S368 | N292-P375 HydrophobicContact CB-CG 3.8Å; I322-P375 HydrophobicContact CD1-CG 4.45Å; V367-P375 HydrophobicContact CG1-CB 3.53Å; V367-P375 HydrophobicContact CG1-CG 4.21Å; S368-P375 CarbonylContact O-C 3.59Å; S368-P375 WeakPolarHBondContact O-CA 3.26Å; S368-P375 VanDerWaalsContact O-CB 3.31Å; S368-P375 WeakPolarHBondContact O-CB 3.11Å |
| 376 | S | 97.1 | Very high | 95.9 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 150 | 161.1 | -2 | 0 | 0 | 0 | 0 | 109.4 | V367 S368 R370 D378 | V367-S376 CarbonylContact C-O 3.59Å; V367-S376 VanDerWaalsContact CA-O 3.31Å; V367-S376 WeakPolarHBondContact CA-O 3.22Å; S368-S376 WeakPolarHBondContact CB-OG 3.41Å; S368-S376 PolarHBondContact N-O 2.63Å; S368-S376 PolarHBondContact O-N 3.46Å; R370-S376 VanDerWaalsContact CZ-OG 3.25Å; R370-S376 PolarHBondContact NE-OG 3Å; R370-S376 PolarHBondContact NH2-OG 3.28Å; S376-D378 WeakPolarHBondContact CB-OD2 3.34Å |
| 377 | I | 98.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 106.4 | 167 | -53.1 | 172.9 | 0 | 0 | 0 | 107.1 | L310 I322 F327 F365 R366 | L310-I377 HydrophobicContact CD2-CD1 3.69Å; L310-I377 HydrophobicContact CD2-CG1 4.25Å; I322-I377 HydrophobicContact CD1-CD1 4.24Å; I322-I377 HydrophobicContact CG1-CD1 4.4Å; F327-I377 HydrophobicContact CB-CG2 3.87Å; F327-I377 HydrophobicContact CD2-CG2 3.43Å; F327-I377 VanDerWaalsContact CD2-CG2 3.43Å; F327-I377 HydrophobicContact CE2-CG2 4.19Å; F327-I377 HydrophobicContact CG-CD1 4.32Å; F327-I377 HydrophobicContact CG-CG2 3.87Å; F365-I377 HydrophobicContact CB-CG2 3.96Å; F365-I377 HydrophobicContact CD1-CG2 4.08Å; F365-I377 HydrophobicContact CG-CG2 4.31Å; R366-I377 WeakPolarHBondContact O-CA 3.3Å |
| 378 | D | 97.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 59.5 Ų | 59.5 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.8 | -175.6 | -66.5 | -52.4 | 0 | 0 | 0 | 109.8 | F365 R366 S376 | F365-D378 CarbonylContact C-O 3.59Å; F365-D378 VanDerWaalsContact CA-O 3.25Å; F365-D378 WeakPolarHBondContact CA-O 3.21Å; R366-D378 PolarHBondContact N-O 3.32Å; R366-D378 PolarHBondContact O-N 3.05Å; S376-D378 WeakPolarHBondContact CB-OD2 3.34Å |
| 379 | Q | 97.9 | Very high | 96 | Very high | 93 Ų | 93 | 64.1 Ų | 64.1 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 129.3 | 177.8 | -170.4 | 175.3 | -7.2 | 0 | 0 | 110 | N326 F365 | N326-Q379 PolarHBondContact ND2-OE1 3.38Å; F365-Q379 HydrophobicContact CD1-CB 3.73Å; F365-Q379 HydrophobicContact CD1-CG 4.02Å; F365-Q379 HydrophobicContact CE1-CB 3.65Å; F365-Q379 HydrophobicContact CE1-CG 3.68Å; F365-Q379 HydrophobicContact CZ-CG 4.19Å |
| 380 | L | 97.9 | Very high | 96.2 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 161.5 | 180 | -58.8 | -173.5 | 0 | 0 | 0 | 112 | M25 E348 L364 R366 V382 | M25-L380 HydrophobicContact CE-CD1 3.88Å; E348-L380 HydrophobicContact CG-CD1 3.95Å; L364-L380 HydrophobicContact CB-CB 4.36Å; L364-L380 HydrophobicContact CD2-CB 3.93Å; L364-L380 HydrophobicContact CD2-CD1 3.92Å; L364-L380 HydrophobicContact CG-CB 4.13Å; L364-L380 HydrophobicContact CG-CD1 4.22Å; L364-L380 PolarHBondContact O-N 2.94Å; R366-L380 HydrophobicContact CB-CD1 4.01Å; R366-L380 HydrophobicContact CB-CD2 4.18Å; R366-L380 HydrophobicContact CB-CG 4.12Å; L380-V382 PolarHBondContact O-N 2.89Å |
| 381 | E | 97.4 | Very high | 96.4 | Very high | 107 Ų | 107 | 58.3 Ų | 58.3 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | trans | -75.2 | 113.9 | 169.2 | -171.4 | -176.9 | 164.4 | 0 | 0 | 109.7 | P24 M25 G383 | P24-E381 WeakPolarHBondContact CA-O 3.49Å; P24-E381 HydrophobicContact CB-CG 4.3Å; M25-E381 PolarHBondContact N-O 3.41Å; E381-G383 VanDerWaalsContact C-N 3.35Å; E381-G383 PolarHBondContact O-N 2.9Å | ||
| 382 | V | 98.1 | Very high | 96.9 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | trans | -67.9 | -35.5 | -175.2 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | F26 F350 L364 L380 A385 A386 | F26-V382 WeakPolarHBondContact CB-O 3.47Å; F26-V382 HydrophobicContact CD2-CG1 4.15Å; F26-V382 WeakPolarHBondContact CD2-O 3.42Å; F26-V382 PolarHBondContact N-O 3.15Å; F350-V382 HydrophobicContact CE2-CG1 3.8Å; L364-V382 HydrophobicContact CB-CG2 3.84Å; L380-V382 PolarHBondContact O-N 2.89Å; V382-A385 HydrophobicContact CG1-CB 3.88Å; V382-A386 HydrophobicContact CB-CB 4.21Å; V382-A386 HydrophobicContact CG1-CB 4.47Å | ||
| 383 | G | 98.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 19% | 0.186 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | 78.7 | -145.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E381 A385 A386 | E381-G383 VanDerWaalsContact C-N 3.35Å; E381-G383 PolarHBondContact O-N 2.9Å; G383-A385 PolarHBondContact O-N 3.33Å; G383-A386 VanDerWaalsContact O-CB 3.25Å; G383-A386 WeakPolarHBondContact O-CB 3.11Å; G383-A386 PolarHBondContact O-N 3.16Å |
| 384 | D | 98.7 | Very high | 97.6 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -64 | -26.9 | -173.4 | -63.4 | -31.4 | 0 | 0 | 0 | 112.5 | F26 Q27 V28 A386 E387 F423 | F26-D384 PolarHBondContact O-N 2.88Å; F26-D384 VanDerWaalsContact O-N 3.11Å; Q27-D384 WeakPolarHBondContact CA-OD2 3.33Å; V28-D384 HydrophobicContact CB-CB 3.79Å; V28-D384 HydrophobicContact CG1-CB 4Å; V28-D384 WeakPolarHBondContact CG1-OD2 3.46Å; V28-D384 PolarHBondContact N-OD2 3.49Å; D384-A386 PolarHBondContact O-N 3.22Å; D384-A386 VanDerWaalsContact O-N 3.08Å; D384-E387 PolarHBondContact O-N 3.1Å; D384-F423 HydrophobicContact CB-CD1 4.28Å; D384-F423 HydrophobicContact CB-CE1 4.09Å |
| 385 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -69.8 | 1.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | F26 F350 N362 V382 G383 E387 L408 F423 | F26-A385 HydrophobicContact CB-CB 3.67Å; F26-A385 HydrophobicContact CD2-CB 3.81Å; F26-A385 HydrophobicContact CG-CB 3.91Å; F350-A385 HydrophobicContact CE2-CB 4.24Å; F350-A385 HydrophobicContact CZ-CB 4.44Å; N362-A385 VanDerWaalsContact CB-O 3.29Å; N362-A385 WeakPolarHBondContact CB-O 3.32Å; N362-A385 PolarHBondContact ND2-O 2.85Å; V382-A385 HydrophobicContact CG1-CB 3.88Å; G383-A385 PolarHBondContact O-N 3.33Å; A385-E387 PolarHBondContact O-N 2.99Å; A385-L408 HydrophobicContact CB-CD2 4.17Å; A385-F423 VanDerWaalsContact CA-CE1 3.43Å; A385-F423 HydrophobicContact CB-CD1 3.72Å; A385-F423 HydrophobicContact CB-CD2 4.04Å; A385-F423 HydrophobicContact CB-CE1 3.79Å; A385-F423 HydrophobicContact CB-CE2 4.11Å; A385-F423 HydrophobicContact CB-CG 3.86Å; A385-F423 HydrophobicContact CB-CZ 3.99Å |
| 386 | A | 98.7 | Very high | 97.8 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 21% | 0.207 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -62.1 | -31.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P361 N362 V382 G383 D384 P388 | P361-A386 CarbonylContact C-O 3.53Å; P361-A386 WeakPolarHBondContact CA-O 3.42Å; N362-A386 PolarHBondContact N-O 3.48Å; V382-A386 HydrophobicContact CB-CB 4.21Å; V382-A386 HydrophobicContact CG1-CB 4.47Å; G383-A386 VanDerWaalsContact O-CB 3.25Å; G383-A386 WeakPolarHBondContact O-CB 3.11Å; G383-A386 PolarHBondContact O-N 3.16Å; D384-A386 PolarHBondContact O-N 3.22Å; D384-A386 VanDerWaalsContact O-N 3.08Å; A386-P388 VanDerWaalsContact O-N 3.1Å |
| 387 | E | 98.5 | Very high | 97.8 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 16% | 0.159 | 19% | 0.19 | C | C | . | . | trans | 28.1 | 65.5 | 176 | -64.8 | -171.8 | 131.2 | 0 | 0 | 114.9 | D384 A385 Q389 G390 L410 H412 S421 F423 | D384-E387 PolarHBondContact O-N 3.1Å; A385-E387 PolarHBondContact O-N 2.99Å; E387-Q389 PolarHBondContact O-N 3.27Å; E387-G390 WeakPolarHBondContact O-CA 3.45Å; E387-G390 PolarHBondContact O-N 2.95Å; E387-L410 WeakPolarHBondContact OE2-CD1 3.47Å; E387-H412 IonicContact OE1-CE1 3.84Å; E387-H412 IonicContact OE1-NE2 3.28Å; E387-H412 IonicContact OE2-CE1 2.75Å; E387-H412 IonicContact OE2-NE2 3.96Å; E387-H412 PolarHBondContact OE2-NE2 2.73Å; E387-H412 VanDerWaalsContact OE2-NE2 3.09Å; E387-S421 VanDerWaalsContact OE1-CB 3.3Å; E387-S421 WeakPolarHBondContact OE1-CB 3.33Å; E387-S421 PolarHBondContact OE1-OG 2.69Å; E387-F423 HydrophobicContact CG-CZ 4.01Å | ||
| 388 | P | 98.3 | Very high | 97.8 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.9 | -175.7 | 21.9 | -33.2 | 0 | 0 | 0 | 114.1 | D359 A360 P361 A386 | D359-P388 CarbonylContact C-O 3.48Å; D359-P388 VanDerWaalsContact CA-O 3.23Å; D359-P388 WeakPolarHBondContact CA-O 3.04Å; D359-P388 HydrophobicContact CB-CB 4.11Å; A360-P388 PolarHBondContact N-O 3.33Å; P361-P388 HydrophobicContact CB-CB 4.2Å; A386-P388 VanDerWaalsContact O-N 3.1Å |
| 389 | Q | 97.6 | Very high | 97.7 | Very high | 107 Ų | 107 | 32 Ų | 32 | 50% | 0.5 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 7.5 | 174.6 | -60.2 | -65.2 | -30.3 | 0 | 0 | 112.7 | D359 E387 Q418 | D359-Q389 PolarHBondContact OD1-NE2 3.09Å; D359-Q389 PolarHBondContact OD2-NE2 3.08Å; E387-Q389 PolarHBondContact O-N 3.27Å; Q389-Q418 PolarHBondContact O-NE2 3.09Å |
| 390 | G | 97.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | trans | -67.3 | 132.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A355 E387 G392 | A355-G390 VanDerWaalsContact CB-O 3.29Å; A355-G390 WeakPolarHBondContact CB-O 3.31Å; A355-G390 PolarHBondContact N-O 2.77Å; E387-G390 WeakPolarHBondContact O-CA 3.45Å; E387-G390 PolarHBondContact O-N 2.95Å; G390-G392 VanDerWaalsContact C-N 3.25Å; G390-G392 PolarHBondContact O-N 2.86Å | ||
| 391 | R | 97.2 | Very high | 97.4 | Very high | 75 Ų | 75 | 28.4 Ų | 28.4 | 28% | 0.283 | 15% | 0.151 | S | C | . | . | B | Isolated β-bridge | trans | -96.5 | 55.4 | 177.2 | -58.7 | 170 | 175.4 | 139.2 | 1.2 | 110 | I354 T393 H412 G413 S415 A416 Q418 | I354-R391 HydrophobicContact CG1-CB 4.19Å; R391-T393 PolarHBondContact O-N 2.84Å; R391-H412 CarbonylContact O-C 3.53Å; R391-H412 VanDerWaalsContact O-CA 3.27Å; R391-H412 WeakPolarHBondContact O-CA 3.05Å; R391-G413 PolarHBondContact O-N 3.03Å; R391-S415 WeakPolarHBondContact CD-OG 3.44Å; R391-S415 VanDerWaalsContact CG-OG 3.29Å; R391-S415 WeakPolarHBondContact CG-OG 3.44Å; R391-A416 WeakPolarHBondContact CD-O 3.43Å; R391-Q418 VanDerWaalsContact CD-OE1 3.31Å; R391-Q418 VanDerWaalsContact N-OE1 3.08Å |
| 392 | G | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 130.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R334 N352 N353 I354 G390 A411 | R334-G392 VanDerWaalsContact CG-O 3.31Å; R334-G392 WeakPolarHBondContact CG-O 3.12Å; N352-G392 VanDerWaalsContact OD1-C 3.32Å; N352-G392 WeakPolarHBondContact OD1-CA 3.49Å; N353-G392 PolarHBondContact O-N 3.15Å; I354-G392 WeakPolarHBondContact CB-O 3.46Å; G390-G392 VanDerWaalsContact C-N 3.25Å; G390-G392 PolarHBondContact O-N 2.86Å; G392-A411 WeakPolarHBondContact CA-O 3.46Å |
| 393 | T | 97.1 | Very high | 97 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -26.5 | 179.5 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | N46 Y47 R391 A411 E414 | N46-T393 PolarHBondContact O-OG1 3.48Å; Y47-T393 HydrophobicContact CD1-CG2 3.97Å; Y47-T393 HydrophobicContact CE1-CG2 4.01Å; R391-T393 PolarHBondContact O-N 2.84Å; T393-A411 PolarHBondContact N-O 2.82Å; T393-A411 PolarHBondContact OG1-O 3.19Å; T393-E414 HydrophobicContact CG2-CB 3.81Å |
| 394 | G | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 173.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A411 C473 | G394-A411 PolarHBondContact O-N 2.89Å; G394-C473 VanDerWaalsContact CA-SG 3.55Å |
| 395 | G | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | 159.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L409 C473 M475 | G395-L409 CarbonylContact C-O 3.59Å; G395-L409 WeakPolarHBondContact CA-O 3.4Å; G395-C473 PolarHBondContact N-SG 3.27Å; G395-M475 WeakPolarHBondContact O-CE 3.49Å |
| 396 | T | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 162.6 | 179.2 | -166.8 | 0 | 0 | 0 | 0 | 111 | M49 V51 V62 L409 | M49-T396 HydrophobicContact CB-CG2 4.12Å; M49-T396 HydrophobicContact SD-CG2 4.22Å; V51-T396 HydrophobicContact CG2-CG2 3.68Å; V51-T396 VanDerWaalsContact CG2-OG1 3.23Å; V51-T396 WeakPolarHBondContact CG2-OG1 3.39Å; V62-T396 HydrophobicContact CG1-CG2 3.87Å; V62-T396 HydrophobicContact CG2-CG2 4.38Å; T396-L409 HydrophobicContact CG2-CB 4.28Å; T396-L409 HydrophobicContact CG2-CD1 4.31Å; T396-L409 PolarHBondContact N-O 2.77Å; T396-L409 PolarHBondContact O-N 3.37Å |
| 397 | V | 97.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.4 | 172.2 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | I337 A339 F341 L406 D407 L408 M475 | I337-V397 HydrophobicContact CD1-CG1 4.39Å; I337-V397 HydrophobicContact CG2-CG1 3.75Å; I337-V397 HydrophobicContact CG2-CG2 4.14Å; A339-V397 HydrophobicContact CB-CG2 4.23Å; F341-V397 HydrophobicContact CE1-CB 4.46Å; F341-V397 HydrophobicContact CE1-CG1 3.5Å; F341-V397 HydrophobicContact CZ-CG1 3.79Å; V397-L406 HydrophobicContact CG2-CD1 4.44Å; V397-D407 WeakPolarHBondContact CA-O 3.21Å; V397-L408 HydrophobicContact CG1-CD1 3.91Å; V397-M475 HydrophobicContact CG2-SD 3.88Å |
| 398 | T | 96.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 143.2 | 176 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | V51 V62 L400 D407 L409 E476 | V51-T398 HydrophobicContact CG2-CG2 4.4Å; V62-T398 HydrophobicContact CG2-CG2 4.12Å; T398-L400 HydrophobicContact CG2-CD2 3.48Å; T398-L400 VanDerWaalsContact CG2-CD2 3.48Å; T398-L400 HydrophobicContact CG2-CG 3.91Å; T398-L400 PolarHBondContact O-N 2.85Å; T398-D407 PolarHBondContact N-O 2.83Å; T398-D407 VanDerWaalsContact N-O 3.14Å; T398-D407 WeakPolarHBondContact O-CA 3.39Å; T398-D407 VanDerWaalsContact O-CB 3.23Å; T398-D407 WeakPolarHBondContact O-CB 3.39Å; T398-D407 PolarHBondContact O-N 2.82Å; T398-L409 HydrophobicContact CG2-CD1 4.14Å; T398-E476 WeakPolarHBondContact CA-OE1 3.39Å |
| 399 | D | 97 | Very high | 96.7 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 5% | 0.048 | 10% | 0.1 | C | C | . | . | trans | -82.1 | 100.6 | 169.7 | 156 | 29.4 | 0 | 0 | 0 | 108.7 | G402 D403 G404 Q405 L406 R435 | D399-G402 WeakPolarHBondContact OD1-CA 3.38Å; D399-G402 PolarHBondContact OD1-N 2.95Å; D399-G402 WeakPolarHBondContact OD2-CA 3.46Å; D399-D403 PolarHBondContact OD1-N 2.63Å; D399-G404 PolarHBondContact OD1-N 3.38Å; D399-G404 WeakPolarHBondContact OD2-CA 3.33Å; D399-G404 PolarHBondContact OD2-N 2.75Å; D399-Q405 WeakPolarHBondContact CB-O 3.45Å; D399-L406 HydrophobicContact CB-CD2 4.17Å; D399-R435 IonicContact OD2-CZ 3.6Å; D399-R435 IonicContact OD2-NH1 3.51Å; D399-R435 PolarHBondContact OD2-NH1 3.46Å | ||
| 400 | L | 94.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 13.5 Ų | 13.5 | 6% | 0.063 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -78 | -36 | -169.3 | -70.6 | 173.5 | 0 | 0 | 0 | 113.4 | M33 V62 Y76 L83 T398 D407 L409 | M33-L400 HydrophobicContact SD-CD1 3.89Å; V62-L400 HydrophobicContact CG2-CD2 4.35Å; Y76-L400 WeakPolarHBondContact CD1-O 3.28Å; Y76-L400 HydrophobicContact CD2-CB 4.4Å; Y76-L400 HydrophobicContact CG-CB 4.37Å; L83-L400 HydrophobicContact CD1-CD1 3.86Å; L83-L400 HydrophobicContact CD2-CD1 4.14Å; L83-L400 HydrophobicContact CD2-CD2 4.01Å; L83-L400 HydrophobicContact CG-CD1 4.21Å; T398-L400 HydrophobicContact CG2-CD2 3.48Å; T398-L400 VanDerWaalsContact CG2-CD2 3.48Å; T398-L400 HydrophobicContact CG2-CG 3.91Å; T398-L400 PolarHBondContact O-N 2.85Å; L400-D407 WeakPolarHBondContact CB-OD2 3.44Å; L400-D407 HydrophobicContact CD1-CB 4.03Å; L400-D407 HydrophobicContact CG-CB 4.17Å; L400-D407 PolarHBondContact N-OD2 2.88Å; L400-D407 VanDerWaalsContact N-OD2 3.12Å; L400-L409 HydrophobicContact CD1-CD1 4.15Å |
| 401 | D | 93.4 | Very high | 96.8 | Very high | 42 Ų | 42 | 13.3 Ų | 13.3 | 23% | 0.225 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -100.1 | -4.5 | -175.7 | 57.5 | 5.5 | 0 | 0 | 0 | 113.4 | Y76 R78 D403 K424 | Y76-D401 HydrophobicContact CD1-CB 4.27Å; Y76-D401 HydrophobicContact CE1-CB 3.52Å; R78-D401 PolarHBondContact NH1-O 3.07Å; D401-D403 PolarHBondContact OD1-N 3.38Å; D401-K424 IonicContact OD1-NZ 3.72Å; D401-K424 PolarHBondContact OD1-NZ 2.96Å; D401-K424 WeakPolarHBondContact OD2-CE 3.3Å; D401-K424 IonicContact OD2-NZ 3.63Å; D401-K424 PolarHBondContact OD2-NZ 2.8Å |
| 402 | G | 94.4 | Very high | 96.8 | Very high | 40 Ų | 40 | 9.9 Ų | 9.9 | 41% | 0.412 | 6% | 0.062 | S | C | . | . | S | Bend | trans | 77.7 | 24.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D399 G404 | D399-G402 WeakPolarHBondContact OD1-CA 3.38Å; D399-G402 PolarHBondContact OD1-N 2.95Å; D399-G402 WeakPolarHBondContact OD2-CA 3.46Å; G402-G404 VanDerWaalsContact C-N 3.29Å |
| 403 | D | 94.4 | Very high | 96.7 | Very high | 64 Ų | 64 | 9.9 Ų | 9.9 | 34% | 0.342 | 6% | 0.062 | S | C | . | . | S | Bend | trans | -83.7 | -9.4 | 178.5 | 83.2 | -13.5 | 0 | 0 | 0 | 112.8 | D399 D401 Q405 K424 W433 | D399-D403 PolarHBondContact OD1-N 2.63Å; D401-D403 PolarHBondContact OD1-N 3.38Å; D403-Q405 WeakPolarHBondContact OD1-CA 3.46Å; D403-Q405 WeakPolarHBondContact OD1-CB 3.46Å; D403-Q405 PolarHBondContact OD1-N 2.86Å; D403-Q405 PolarHBondContact OD2-NE2 2.94Å; D403-K424 IonicContact OD1-NZ 3.69Å; D403-K424 IonicContact OD2-NZ 2.76Å; D403-W433 PolarHBondContact O-NE1 2.65Å |
| 404 | G | 95.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 82.1 | 8.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N343 D399 G402 H480 | N343-G404 PolarHBondContact ND2-O 2.81Å; D399-G404 PolarHBondContact OD1-N 3.38Å; D399-G404 WeakPolarHBondContact OD2-CA 3.33Å; D399-G404 PolarHBondContact OD2-N 2.75Å; G402-G404 VanDerWaalsContact C-N 3.29Å; G404-H480 PolarHBondContact O-CE1 3.09Å; G404-H480 VanDerWaalsContact O-CE1 3.28Å |
| 405 | Q | 95.6 | Very high | 96.1 | Very high | 24 Ų | 24 | 16 Ų | 16 | 11% | 0.112 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -103.6 | 131.6 | 166.1 | -68.9 | 172.4 | 99.1 | 0 | 0 | 108.6 | D399 D403 D407 Q427 | D399-Q405 WeakPolarHBondContact CB-O 3.45Å; D403-Q405 WeakPolarHBondContact OD1-CA 3.46Å; D403-Q405 WeakPolarHBondContact OD1-CB 3.46Å; D403-Q405 PolarHBondContact OD1-N 2.86Å; D403-Q405 PolarHBondContact OD2-NE2 2.94Å; Q405-D407 PolarHBondContact O-N 3.33Å; Q405-Q427 PolarHBondContact OE1-O 2.82Å |
| 406 | L | 97.6 | Very high | 96 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 134.6 | 179.5 | -63 | 178.1 | 0 | 0 | 0 | 110.9 | A339 F341 V397 D399 V425 E476 H480 | A339-L406 HydrophobicContact CB-CD1 3.88Å; F341-L406 HydrophobicContact CD1-CB 4.33Å; V397-L406 HydrophobicContact CG2-CD1 4.44Å; D399-L406 HydrophobicContact CB-CD2 4.17Å; L406-V425 VanDerWaalsContact O-CG2 3.31Å; L406-V425 WeakPolarHBondContact O-CG2 3.23Å; L406-E476 WeakPolarHBondContact CD2-OE1 3.39Å; L406-H480 HydrophobicContact CD1-CB 4.27Å; L406-H480 HydrophobicContact CD2-CB 4.31Å |
| 407 | D | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 144 | 168.9 | -63.9 | -66.2 | 0 | 0 | 0 | 110.7 | V397 T398 L400 Q405 K424 | V397-D407 WeakPolarHBondContact CA-O 3.21Å; T398-D407 PolarHBondContact N-O 2.83Å; T398-D407 VanDerWaalsContact N-O 3.14Å; T398-D407 WeakPolarHBondContact O-CA 3.39Å; T398-D407 VanDerWaalsContact O-CB 3.23Å; T398-D407 WeakPolarHBondContact O-CB 3.39Å; T398-D407 PolarHBondContact O-N 2.82Å; L400-D407 WeakPolarHBondContact CB-OD2 3.44Å; L400-D407 HydrophobicContact CD1-CB 4.03Å; L400-D407 HydrophobicContact CG-CB 4.17Å; L400-D407 PolarHBondContact N-OD2 2.88Å; L400-D407 VanDerWaalsContact N-OD2 3.12Å; Q405-D407 PolarHBondContact O-N 3.33Å; D407-K424 VanDerWaalsContact CG-NZ 3.26Å; D407-K424 WeakPolarHBondContact OD1-CD 3.36Å; D407-K424 WeakPolarHBondContact OD1-CE 3.44Å; D407-K424 VanDerWaalsContact OD1-CG 3.3Å; D407-K424 WeakPolarHBondContact OD1-CG 3.37Å; D407-K424 IonicContact OD1-NZ 3.62Å; D407-K424 PolarHBondContact OD1-NZ 2.78Å; D407-K424 IonicContact OD2-NZ 2.79Å; D407-K424 PolarHBondContact OD2-NZ 3.46Å |
| 408 | L | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.5 | 175.1 | 175 | 66.9 | 0 | 0 | 0 | 110.1 | F26 I337 F350 A385 V397 L410 V422 F423 | F26-L408 HydrophobicContact CD1-CB 4.42Å; F26-L408 HydrophobicContact CD1-CD2 4.43Å; F26-L408 HydrophobicContact CD2-CD2 4.48Å; F26-L408 HydrophobicContact CE1-CB 4.05Å; F26-L408 HydrophobicContact CE1-CD2 4.18Å; F26-L408 HydrophobicContact CE2-CD2 4.23Å; F26-L408 HydrophobicContact CZ-CD2 4.08Å; I337-L408 HydrophobicContact CD1-CD1 3.75Å; F350-L408 HydrophobicContact CD1-CD2 4.44Å; F350-L408 HydrophobicContact CD2-CD2 4.33Å; F350-L408 HydrophobicContact CE1-CD2 4.11Å; F350-L408 HydrophobicContact CE2-CD2 3.98Å; F350-L408 HydrophobicContact CZ-CD2 3.86Å; A385-L408 HydrophobicContact CB-CD2 4.17Å; V397-L408 HydrophobicContact CG1-CD1 3.91Å; L408-L410 HydrophobicContact CD1-CD2 3.85Å; L408-L410 HydrophobicContact CD1-CG 4.43Å; L408-L410 HydrophobicContact CD2-CD1 4.34Å; L408-L410 HydrophobicContact CD2-CD2 4.32Å; L408-L410 HydrophobicContact CD2-CG 4.3Å; L408-L410 HydrophobicContact CG-CD2 4.1Å; L408-L410 HydrophobicContact CG-CG 4.15Å; L408-V422 CarbonylContact O-C 3.55Å; L408-V422 WeakPolarHBondContact O-CA 3.43Å; L408-F423 HydrophobicContact CB-CB 4.27Å; L408-F423 HydrophobicContact CB-CD2 4.47Å; L408-F423 HydrophobicContact CD2-CD2 4.2Å; L408-F423 HydrophobicContact CG-CD2 4.25Å; L408-F423 PolarHBondContact N-O 2.91Å; L408-F423 PolarHBondContact O-N 2.86Å |
| 409 | L | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.4 | 170.4 | -63.7 | 88.1 | 0 | 0 | 0 | 109.9 | M49 V62 L83 G395 T396 T398 L400 S421 V422 | M49-L409 HydrophobicContact SD-CB 4.14Å; V62-L409 HydrophobicContact CB-CD2 4.49Å; V62-L409 HydrophobicContact CG1-CD2 4.41Å; V62-L409 HydrophobicContact CG2-CD1 4.43Å; V62-L409 HydrophobicContact CG2-CD2 4.06Å; L83-L409 HydrophobicContact CD1-CD2 3.88Å; G395-L409 CarbonylContact C-O 3.59Å; G395-L409 WeakPolarHBondContact CA-O 3.4Å; T396-L409 HydrophobicContact CG2-CB 4.28Å; T396-L409 HydrophobicContact CG2-CD1 4.31Å; T396-L409 PolarHBondContact N-O 2.77Å; T396-L409 PolarHBondContact O-N 3.37Å; T398-L409 HydrophobicContact CG2-CD1 4.14Å; L400-L409 HydrophobicContact CD1-CD1 4.15Å; L409-S421 WeakPolarHBondContact CA-O 3.46Å; L409-V422 HydrophobicContact CD2-CG2 4.26Å; L409-V422 HydrophobicContact CG-CG1 4.39Å; L409-V422 HydrophobicContact CG-CG2 4.27Å |
| 410 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.4 | 178.2 | -61.8 | -177.4 | 0 | 0 | 0 | 111.1 | F350 E387 L408 I420 S421 F423 | F350-L410 HydrophobicContact CE1-CD1 4.05Å; F350-L410 HydrophobicContact CE1-CD2 3.82Å; F350-L410 HydrophobicContact CZ-CD1 3.88Å; F350-L410 HydrophobicContact CZ-CD2 4.44Å; E387-L410 WeakPolarHBondContact OE2-CD1 3.47Å; L408-L410 HydrophobicContact CD1-CD2 3.85Å; L408-L410 HydrophobicContact CD1-CG 4.43Å; L408-L410 HydrophobicContact CD2-CD1 4.34Å; L408-L410 HydrophobicContact CD2-CD2 4.32Å; L408-L410 HydrophobicContact CD2-CG 4.3Å; L408-L410 HydrophobicContact CG-CD2 4.1Å; L408-L410 HydrophobicContact CG-CG 4.15Å; L410-I420 WeakPolarHBondContact O-CA 3.32Å; L410-I420 WeakPolarHBondContact O-CG2 3.46Å; L410-S421 PolarHBondContact N-O 3.46Å; L410-S421 PolarHBondContact O-N 2.76Å; L410-F423 HydrophobicContact CB-CE2 4.42Å; L410-F423 HydrophobicContact CD1-CD2 4.46Å; L410-F423 HydrophobicContact CD1-CE2 3.76Å; L410-F423 HydrophobicContact CG-CE2 4.03Å |
| 411 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 146.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | N46 Y47 M49 G392 T393 G394 | N46-A411 HydrophobicContact CB-CB 4.12Å; Y47-A411 WeakPolarHBondContact O-CB 3.15Å; M49-A411 HydrophobicContact CE-CB 3.57Å; M49-A411 HydrophobicContact CG-CB 4.39Å; M49-A411 HydrophobicContact SD-CB 4.2Å; G392-A411 WeakPolarHBondContact CA-O 3.46Å; T393-A411 PolarHBondContact N-O 2.82Å; T393-A411 PolarHBondContact OG1-O 3.19Å; G394-A411 PolarHBondContact O-N 2.89Å |
| 412 | H | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.6 | 177.5 | -56.2 | 103.8 | 0 | 0 | 0 | 111.5 | N46 E387 R391 Q418 P419 S421 | N46-H412 WeakPolarHBondContact CA-O 3.4Å; N46-H412 WeakPolarHBondContact CB-O 3.26Å; N46-H412 PolarHBondContact N-O 3.36Å; N46-H412 CarbonylContact O-C 3.55Å; N46-H412 VanDerWaalsContact O-C 3.26Å; N46-H412 VanDerWaalsContact O-O 3.05Å; E387-H412 IonicContact OE1-CE1 3.84Å; E387-H412 IonicContact OE1-NE2 3.28Å; E387-H412 IonicContact OE2-CE1 2.75Å; E387-H412 IonicContact OE2-NE2 3.96Å; E387-H412 PolarHBondContact OE2-NE2 2.73Å; E387-H412 VanDerWaalsContact OE2-NE2 3.09Å; R391-H412 CarbonylContact O-C 3.53Å; R391-H412 VanDerWaalsContact O-CA 3.27Å; R391-H412 WeakPolarHBondContact O-CA 3.05Å; H412-Q418 HydrophobicContact CB-CB 3.33Å; H412-Q418 HydrophobicContact CB-CG 4.4Å; H412-P419 PolarHBondContact ND1-O 2.82Å; H412-S421 PolarHBondContact CE1-OG 2.87Å |
| 413 | G | 94.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | 176.8 | -148.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R391 S415 | R391-G413 PolarHBondContact O-N 3.03Å; G413-S415 PolarHBondContact O-N 2.69Å | ||
| 414 | E | 92 | Very high | 97 | Very high | 77 Ų | 77 | 20.2 Ų | 20.2 | 36% | 0.36 | 11% | 0.11 | S | C | . | . | S | Bend | trans | 60.5 | -68.1 | -177.6 | -165.8 | -170.4 | 110.5 | 0 | 0 | 115 | Y47 R334 I354 T393 | Y47-E414 HydrophobicContact CE1-CB 4Å; Y47-E414 HydrophobicContact CE1-CG 4.45Å; Y47-E414 VanDerWaalsContact OH-CA 3.27Å; Y47-E414 WeakPolarHBondContact OH-CA 3.44Å; Y47-E414 WeakPolarHBondContact OH-CB 2.92Å; R334-E414 IonicContact CZ-OE1 2.99Å; R334-E414 IonicContact CZ-OE2 2.74Å; R334-E414 IonicContact NE-OE1 3.47Å; R334-E414 IonicContact NE-OE2 3.46Å; R334-E414 PolarHBondContact NE-OE2 3.2Å; R334-E414 VanDerWaalsContact NH2-CD 3.35Å; R334-E414 IonicContact NH2-OE1 3.47Å; R334-E414 PolarHBondContact NH2-OE1 3.14Å; R334-E414 IonicContact NH2-OE2 3.67Å; R334-E414 PolarHBondContact NH2-OE2 2.98Å; I354-E414 HydrophobicContact CD1-CB 3.97Å; I354-E414 HydrophobicContact CD1-CG 4.38Å; T393-E414 HydrophobicContact CG2-CB 3.81Å |
| 415 | S | 90.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 20.7 Ų | 20.7 | 37% | 0.371 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -81.8 | -27.3 | -176.2 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | A355 R391 G413 | A355-S415 PolarHBondContact O-OG 2.68Å; R391-S415 WeakPolarHBondContact CD-OG 3.44Å; R391-S415 VanDerWaalsContact CG-OG 3.29Å; R391-S415 WeakPolarHBondContact CG-OG 3.44Å; G413-S415 PolarHBondContact O-N 2.69Å |
| 416 | A | 94.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 24.7 Ų | 24.7 | 28% | 0.281 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -174.9 | 164.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112 | L45 R391 | L45-A416 VanDerWaalsContact CD2-C 3.47Å; R391-A416 WeakPolarHBondContact CD-O 3.43Å |
| 417 | Q | 96.9 | Very high | 96.9 | Very high | 109 Ų | 109 | 25.3 Ų | 25.3 | 51% | 0.509 | 13% | 0.133 | S | C | . | . | trans | -65.4 | 136.4 | -174.2 | -62.8 | 173.8 | -9.2 | 0 | 0 | 112.4 | T43 Q44 L45 | T43-Q417 HydrophobicContact CG2-CB 3.88Å; Q44-Q417 VanDerWaalsContact O-CA 3.32Å; Q44-Q417 WeakPolarHBondContact O-CA 3.45Å; L45-Q417 HydrophobicContact CD2-CB 4.49Å; L45-Q417 HydrophobicContact CD2-CG 3.92Å; L45-Q417 HydrophobicContact CG-CG 3.99Å | ||
| 418 | Q | 97.6 | Very high | 96.7 | Very high | 46 Ų | 46 | 26.2 Ų | 26.2 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -154.5 | 145.5 | 176.2 | -93.7 | 173.7 | -39.2 | 0 | 0 | 109.4 | Q44 N46 Q389 R391 H412 | Q44-Q418 PolarHBondContact O-N 3.31Å; Q44-Q418 VanDerWaalsContact O-O 3.08Å; N46-Q418 PolarHBondContact ND2-O 2.86Å; N46-Q418 VanDerWaalsContact ND2-O 3.07Å; Q389-Q418 PolarHBondContact O-NE2 3.09Å; R391-Q418 VanDerWaalsContact CD-OE1 3.31Å; R391-Q418 VanDerWaalsContact N-OE1 3.08Å; H412-Q418 HydrophobicContact CB-CB 3.33Å; H412-Q418 HydrophobicContact CB-CG 4.4Å |
| 419 | P | 98.1 | Very high | 96.4 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 20% | 0.201 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 167.4 | 173.1 | 31.5 | -35.3 | 0 | 0 | 0 | 111.1 | P36 N41 H412 | P36-P419 HydrophobicContact CB-CB 4.14Å; P36-P419 HydrophobicContact CB-CG 4.29Å; P36-P419 HydrophobicContact CG-CB 4.05Å; P36-P419 HydrophobicContact CG-CG 3.95Å; N41-P419 WeakPolarHBondContact OD1-CB 3.35Å; H412-P419 PolarHBondContact ND1-O 2.82Å |
| 420 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 140 | 171.6 | -62.9 | 161.7 | 0 | 0 | 0 | 109.2 | T30 L34 N41 N46 M49 V64 L72 L74 L410 | T30-I420 VanDerWaalsContact CG2-O 3.27Å; T30-I420 WeakPolarHBondContact CG2-O 3.38Å; L34-I420 HydrophobicContact CD2-CB 4.07Å; L34-I420 HydrophobicContact CD2-CG2 3.95Å; N41-I420 PolarHBondContact ND2-O 3.29Å; N41-I420 PolarHBondContact OD1-N 2.84Å; N46-I420 HydrophobicContact CB-CG1 4.41Å; M49-I420 HydrophobicContact CE-CB 4.41Å; M49-I420 HydrophobicContact CE-CD1 3.89Å; M49-I420 HydrophobicContact CE-CG1 3.79Å; M49-I420 HydrophobicContact CE-CG2 3.75Å; V64-I420 HydrophobicContact CB-CD1 4.48Å; V64-I420 HydrophobicContact CG1-CD1 4.13Å; V64-I420 HydrophobicContact CG2-CD1 3.91Å; L72-I420 HydrophobicContact CD1-CD1 3.9Å; L74-I420 HydrophobicContact CD1-CD1 3.9Å; L410-I420 WeakPolarHBondContact O-CA 3.32Å; L410-I420 WeakPolarHBondContact O-CG2 3.46Å |
| 421 | S | 98.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 37 Ų | 37 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 144.6 | 169.6 | -68.4 | 0 | 0 | 0 | 0 | 110.9 | T30 E387 L409 L410 H412 | T30-S421 WeakPolarHBondContact OG1-CA 3.35Å; E387-S421 VanDerWaalsContact OE1-CB 3.3Å; E387-S421 WeakPolarHBondContact OE1-CB 3.33Å; E387-S421 PolarHBondContact OE1-OG 2.69Å; L409-S421 WeakPolarHBondContact CA-O 3.46Å; L410-S421 PolarHBondContact N-O 3.46Å; L410-S421 PolarHBondContact O-N 2.76Å; H412-S421 PolarHBondContact CE1-OG 2.87Å |
| 422 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134.2 | 177 | -172 | 0 | 0 | 0 | 0 | 109.1 | V29 T30 M33 L34 L83 L408 L409 | V29-V422 HydrophobicContact CG2-CB 4.17Å; V29-V422 HydrophobicContact CG2-CG1 3.87Å; V29-V422 WeakPolarHBondContact CG2-O 3.35Å; V29-V422 PolarHBondContact N-O 3.03Å; T30-V422 PolarHBondContact N-O 3.3Å; T30-V422 PolarHBondContact OG1-N 3.39Å; T30-V422 PolarHBondContact OG1-O 2.95Å; M33-V422 HydrophobicContact SD-CG1 3.72Å; L34-V422 HydrophobicContact CB-CG2 3.81Å; L34-V422 HydrophobicContact CD2-CG2 3.86Å; L34-V422 HydrophobicContact CG-CG2 4.48Å; L83-V422 HydrophobicContact CD1-CG2 4.18Å; L408-V422 CarbonylContact O-C 3.55Å; L408-V422 WeakPolarHBondContact O-CA 3.43Å; L409-V422 HydrophobicContact CD2-CG2 4.26Å; L409-V422 HydrophobicContact CG-CG1 4.39Å; L409-V422 HydrophobicContact CG-CG2 4.27Å |
| 423 | F | 98.8 | Very high | 96 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136 | -177.8 | -51.6 | -91.1 | 0 | 0 | 0 | 111.6 | F26 Q27 V28 D384 A385 E387 L408 L410 | F26-F423 HydrophobicContact CB-CB 4.07Å; F26-F423 HydrophobicContact CB-CD1 4.44Å; F26-F423 HydrophobicContact CB-CG 4.49Å; F26-F423 HydrophobicContact CD1-CB 4.14Å; F26-F423 HydrophobicContact CG-CB 4.4Å; Q27-F423 CarbonylContact O-C 3.59Å; Q27-F423 VanDerWaalsContact O-CA 3.23Å; Q27-F423 WeakPolarHBondContact O-CA 3.22Å; V28-F423 HydrophobicContact CB-CD1 3.87Å; V28-F423 HydrophobicContact CB-CE1 3.76Å; V28-F423 HydrophobicContact CG2-CD1 4.24Å; V28-F423 HydrophobicContact CG2-CE1 3.89Å; D384-F423 HydrophobicContact CB-CD1 4.28Å; D384-F423 HydrophobicContact CB-CE1 4.09Å; A385-F423 VanDerWaalsContact CA-CE1 3.43Å; A385-F423 HydrophobicContact CB-CD1 3.72Å; A385-F423 HydrophobicContact CB-CD2 4.04Å; A385-F423 HydrophobicContact CB-CE1 3.79Å; A385-F423 HydrophobicContact CB-CE2 4.11Å; A385-F423 HydrophobicContact CB-CG 3.86Å; A385-F423 HydrophobicContact CB-CZ 3.99Å; E387-F423 HydrophobicContact CG-CZ 4.01Å; L408-F423 HydrophobicContact CB-CB 4.27Å; L408-F423 HydrophobicContact CB-CD2 4.47Å; L408-F423 HydrophobicContact CD2-CD2 4.2Å; L408-F423 HydrophobicContact CG-CD2 4.25Å; L408-F423 PolarHBondContact N-O 2.91Å; L408-F423 PolarHBondContact O-N 2.86Å; L410-F423 HydrophobicContact CB-CE2 4.42Å; L410-F423 HydrophobicContact CD1-CD2 4.46Å; L410-F423 HydrophobicContact CD1-CE2 3.76Å; L410-F423 HydrophobicContact CG-CE2 4.03Å |
| 424 | K | 98 | Very high | 96.2 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 146.7 | 169.4 | -84.1 | -88.3 | 175.3 | -153.9 | 0 | 109.6 | F26 Q27 V29 D401 D403 D407 | F26-K424 WeakPolarHBondContact CA-O 3.47Å; Q27-K424 PolarHBondContact N-O 3.05Å; Q27-K424 PolarHBondContact O-N 2.79Å; V29-K424 HydrophobicContact CG1-CB 4.11Å; V29-K424 HydrophobicContact CG1-CG 4.09Å; V29-K424 HydrophobicContact CG2-CB 4.49Å; V29-K424 HydrophobicContact CG2-CG 4.01Å; D401-K424 IonicContact OD1-NZ 3.72Å; D401-K424 PolarHBondContact OD1-NZ 2.96Å; D401-K424 WeakPolarHBondContact OD2-CE 3.3Å; D401-K424 IonicContact OD2-NZ 3.63Å; D401-K424 PolarHBondContact OD2-NZ 2.8Å; D403-K424 IonicContact OD1-NZ 3.69Å; D403-K424 IonicContact OD2-NZ 2.76Å; D407-K424 VanDerWaalsContact CG-NZ 3.26Å; D407-K424 WeakPolarHBondContact OD1-CD 3.36Å; D407-K424 WeakPolarHBondContact OD1-CE 3.44Å; D407-K424 VanDerWaalsContact OD1-CG 3.3Å; D407-K424 WeakPolarHBondContact OD1-CG 3.37Å; D407-K424 IonicContact OD1-NZ 3.62Å; D407-K424 PolarHBondContact OD1-NZ 2.78Å; D407-K424 IonicContact OD2-NZ 2.79Å; D407-K424 PolarHBondContact OD2-NZ 3.46Å |
| 425 | V | 97.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 139.4 | 171.4 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | M25 F26 F341 D342 L406 Q427 | M25-V425 WeakPolarHBondContact O-CA 3.34Å; M25-V425 HydrophobicContact SD-CG1 3.64Å; F26-V425 HydrophobicContact CD1-CG2 4.05Å; F26-V425 HydrophobicContact CE1-CG2 3.66Å; F341-V425 HydrophobicContact CB-CG2 3.85Å; F341-V425 HydrophobicContact CD1-CG2 3.99Å; F341-V425 HydrophobicContact CG-CG2 4.33Å; F341-V425 WeakPolarHBondContact O-CG1 3.31Å; D342-V425 HydrophobicContact CB-CG1 4.33Å; L406-V425 VanDerWaalsContact O-CG2 3.31Å; L406-V425 WeakPolarHBondContact O-CG2 3.23Å; V425-Q427 WeakPolarHBondContact CG1-O 3.4Å |
| 426 | K | 95.8 | Very high | 96.9 | Very high | 108 Ų | 108 | 33.1 Ų | 33.1 | 47% | 0.47 | 20% | 0.195 | S | C | . | . | trans | -100.9 | -9.9 | -179.7 | -59.9 | -171.9 | 80.6 | 179.7 | 0 | 114 | P24 M25 Q27 | P24-K426 HydrophobicContact CG-CD 4.23Å; M25-K426 PolarHBondContact O-N 3.36Å; Q27-K426 HydrophobicContact CB-CD 3.82Å; Q27-K426 HydrophobicContact CB-CG 3.74Å | ||
| 427 | Q | 94.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -112.6 | 157.8 | -172.9 | -54.6 | -168.6 | 31 | 0 | 0 | 109.3 | N21 G23 P24 M25 D342 Q405 V425 A429 | N21-Q427 PolarHBondContact O-OE1 3.45Å; G23-Q427 PolarHBondContact O-NE2 3.05Å; P24-Q427 PolarHBondContact O-NE2 2.88Å; M25-Q427 HydrophobicContact SD-CB 4.25Å; M25-Q427 HydrophobicContact SD-CG 4.32Å; D342-Q427 HydrophobicContact CB-CB 3.75Å; Q405-Q427 PolarHBondContact OE1-O 2.82Å; V425-Q427 WeakPolarHBondContact CG1-O 3.4Å; Q427-A429 VanDerWaalsContact C-N 3.3Å; Q427-A429 PolarHBondContact O-N 3.02Å |
| 428 | G | 93.4 | Very high | 97.2 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 19% | 0.186 | 16% | 0.161 | C | C | . | . | trans | 75.4 | 7.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117 | D342 S430 N431 | D342-G428 WeakPolarHBondContact O-CA 3.24Å; G428-S430 PolarHBondContact O-N 3.4Å; G428-N431 WeakPolarHBondContact O-CA 3.42Å; G428-N431 WeakPolarHBondContact O-CB 3.1Å; G428-N431 PolarHBondContact O-N 2.83Å | ||
| 429 | A | 91.7 | Very high | 97.2 | Very high | 78 Ų | 78 | 27 Ų | 27 | 65% | 0.645 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q427 | Q427-A429 VanDerWaalsContact C-N 3.3Å; Q427-A429 PolarHBondContact O-N 3.02Å |
| 430 | S | 94.3 | Very high | 97.2 | Very high | 113 Ų | 113 | 25.8 Ų | 25.8 | 79% | 0.79 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -9.7 | 173.6 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | G428 | G428-S430 PolarHBondContact O-N 3.4Š|
| 431 | N | 96.9 | Very high | 97.1 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 20% | 0.198 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -72.9 | 143.2 | 178.2 | -71.6 | -17.5 | 0 | 0 | 0 | 109.3 | D342 N343 G428 | D342-N431 PolarHBondContact O-ND2 3.49Å; N343-N431 HydrophobicContact CB-CB 3.59Å; N343-N431 WeakPolarHBondContact O-CB 3.24Å; G428-N431 WeakPolarHBondContact O-CA 3.42Å; G428-N431 WeakPolarHBondContact O-CB 3.1Å; G428-N431 PolarHBondContact O-N 2.83Å |
| 432 | S | 97.4 | Very high | 97 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 159.7 | 175.6 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | L483 G484 R510 N511 | S432-L483 WeakPolarHBondContact O-CA 3.34Å; S432-L483 WeakPolarHBondContact O-CB 3.26Å; S432-L483 PolarHBondContact O-N 2.89Å; S432-G484 WeakPolarHBondContact CB-O 3.45Å; S432-G484 PolarHBondContact N-O 2.98Å; S432-G484 PolarHBondContact O-N 2.92Å; S432-R510 VanDerWaalsContact CB-NH2 3.29Å; S432-R510 PolarHBondContact OG-NE 3.11Å; S432-R510 PolarHBondContact OG-NH2 3.13Å; S432-N511 WeakPolarHBondContact CA-OD1 3.22Å; S432-N511 WeakPolarHBondContact CB-OD1 3.23Å; S432-N511 PolarHBondContact OG-OD1 2.74Å |
| 433 | W | 98 | Very high | 96.9 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 166.5 | -175.2 | 57.1 | -91.8 | 0 | 0 | 0 | 111 | D403 R435 F481 N511 S512 V513 | D403-W433 PolarHBondContact O-NE1 2.65Å; W433-R435 HydrophobicContact CE3-CB 4.29Å; W433-R435 HydrophobicContact CE3-CG 3.78Å; W433-R435 HydrophobicContact CZ3-CB 3.99Å; W433-R435 HydrophobicContact CZ3-CG 3.78Å; W433-F481 CarbonylContact C-O 3.55Å; W433-F481 WeakPolarHBondContact CA-O 3.26Å; W433-N511 HydrophobicContact CZ2-CB 4.35Å; W433-N511 PolarHBondContact N-OD1 3.2Å; W433-N511 VanDerWaalsContact O-CA 3.29Å; W433-N511 WeakPolarHBondContact O-CA 3.36Å; W433-N511 PolarHBondContact O-N 2.93Å; W433-S512 VanDerWaalsContact CZ3-C 3.4Å; W433-S512 WeakPolarHBondContact CZ3-O 3.45Å; W433-V513 HydrophobicContact CH2-CG2 4.24Å; W433-V513 HydrophobicContact CZ3-CG2 4.11Å |
| 434 | L | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 131.4 | 169.4 | 172.1 | 67.1 | 0 | 0 | 0 | 107.5 | V436 V453 F481 L483 A488 L505 E509 V514 | L434-V436 HydrophobicContact CD1-CG2 4.48Å; L434-V436 HydrophobicContact CD2-CG2 4.18Å; L434-V436 HydrophobicContact CG-CG2 4.01Å; L434-V453 HydrophobicContact CD2-CG1 4.47Å; L434-V453 HydrophobicContact CD2-CG2 3.89Å; L434-F481 HydrophobicContact CB-CB 4.37Å; L434-F481 PolarHBondContact N-O 3.35Å; L434-F481 WeakPolarHBondContact O-CB 3.39Å; L434-F481 WeakPolarHBondContact O-CD2 3.23Å; L434-F481 PolarHBondContact O-N 2.93Å; L434-L483 HydrophobicContact CB-CD1 4.16Å; L434-A488 HydrophobicContact CD2-CB 4.17Å; L434-L505 HydrophobicContact CD2-CD1 3.68Å; L434-L505 HydrophobicContact CD2-CD2 4.22Å; L434-E509 WeakPolarHBondContact CD1-O 3.36Å; L434-V514 HydrophobicContact CD1-CB 4.47Å; L434-V514 HydrophobicContact CD1-CG2 3.75Å |
| 435 | R | 98.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.5 | 174 | -74.4 | 174.8 | 78 | -162.1 | 0.6 | 109.1 | D399 W433 E476 V478 A479 H480 S512 V513 V514 | D399-R435 IonicContact OD2-CZ 3.6Å; D399-R435 IonicContact OD2-NH1 3.51Å; D399-R435 PolarHBondContact OD2-NH1 3.46Å; W433-R435 HydrophobicContact CE3-CB 4.29Å; W433-R435 HydrophobicContact CE3-CG 3.78Å; W433-R435 HydrophobicContact CZ3-CB 3.99Å; W433-R435 HydrophobicContact CZ3-CG 3.78Å; R435-E476 IonicContact CZ-OE2 2.69Å; R435-E476 IonicContact NE-OE2 2.75Å; R435-E476 IonicContact NH2-OE1 3.16Å; R435-E476 IonicContact NH2-OE2 2.69Å; R435-E476 PolarHBondContact NH2-OE2 2.92Å; R435-V478 HydrophobicContact CB-CG1 3.75Å; R435-V478 HydrophobicContact CG-CG1 4.17Å; R435-A479 WeakPolarHBondContact CA-O 3.38Å; R435-H480 HydrophobicContact CG-CB 4.45Å; R435-H480 WeakPolarHBondContact CG-ND1 3.28Å; R435-S512 PolarHBondContact N-O 3.1Å; R435-V513 HydrophobicContact CB-CB 4.45Å; R435-V513 HydrophobicContact CB-CG1 4.34Å; R435-V513 HydrophobicContact CB-CG2 4.08Å; R435-V513 CarbonylContact O-C 3.56Å; R435-V513 WeakPolarHBondContact O-CA 3.29Å; R435-V514 PolarHBondContact O-N 2.98Å |
| 436 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.3 | -177.4 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | L434 P438 V451 A479 F481 L491 V514 V516 | L434-V436 HydrophobicContact CD1-CG2 4.48Å; L434-V436 HydrophobicContact CD2-CG2 4.18Å; L434-V436 HydrophobicContact CG-CG2 4.01Å; V436-P438 WeakPolarHBondContact O-CD 3.47Å; V436-V451 HydrophobicContact CB-CG1 4.04Å; V436-V451 HydrophobicContact CG1-CG1 3.99Å; V436-V451 HydrophobicContact CG2-CG1 4.32Å; V436-A479 HydrophobicContact CB-CB 4.27Å; V436-A479 PolarHBondContact N-O 3.02Å; V436-A479 PolarHBondContact O-N 3.09Å; V436-F481 HydrophobicContact CB-CE2 4.5Å; V436-F481 HydrophobicContact CG2-CD2 4.36Å; V436-F481 HydrophobicContact CG2-CE2 4.06Å; V436-L491 HydrophobicContact CG1-CD1 4.2Å; V436-L491 HydrophobicContact CG1-CD2 4.08Å; V436-L491 HydrophobicContact CG2-CD1 3.99Å; V436-L491 HydrophobicContact CG2-CD2 4.33Å; V436-V514 CarbonylContact C-O 3.52Å; V436-V514 VanDerWaalsContact CA-O 3.3Å; V436-V514 WeakPolarHBondContact CA-O 3.45Å; V436-V516 HydrophobicContact CG1-CG2 3.7Å |
| 437 | I | 98.6 | Very high | 97 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 96 | 179.8 | -53.5 | -176.6 | 0 | 0 | 0 | 108.8 | F445 V478 V513 V514 E515 V516 | I437-F445 HydrophobicContact CG2-CD1 3.61Å; I437-F445 HydrophobicContact CG2-CE1 3.59Å; I437-V478 HydrophobicContact CD1-CG2 4.22Å; I437-V478 HydrophobicContact CG1-CB 4.48Å; I437-V478 HydrophobicContact CG1-CG1 4Å; I437-V478 HydrophobicContact CG1-CG2 3.98Å; I437-V513 HydrophobicContact CD1-CG1 3.59Å; I437-V513 HydrophobicContact CG1-CG1 3.9Å; I437-V514 PolarHBondContact N-O 3.41Å; I437-E515 HydrophobicContact CB-CG 4.24Å; I437-E515 HydrophobicContact CD1-CG 4.47Å; I437-E515 WeakPolarHBondContact O-CA 3.18Å; I437-V516 PolarHBondContact O-N 3.31Å |
| 438 | P | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 136.2 | 173.1 | 32.6 | -33.9 | 0 | 0 | 0 | 110.7 | V436 A446 A449 V451 I465 V493 W495 V516 | V436-P438 WeakPolarHBondContact O-CD 3.47Å; P438-A446 HydrophobicContact CB-CB 3.96Å; P438-A446 HydrophobicContact CG-CB 4.1Å; P438-A446 WeakPolarHBondContact O-CB 3.19Å; P438-A446 PolarHBondContact O-N 2.81Å; P438-A449 HydrophobicContact CB-CB 4.44Å; P438-A449 HydrophobicContact CG-CB 4.1Å; P438-V451 HydrophobicContact CG-CG2 4.09Å; P438-I465 HydrophobicContact CG-CD1 4.28Å; P438-I465 HydrophobicContact CG-CG1 3.64Å; P438-V493 HydrophobicContact CB-CG1 3.75Å; P438-W495 HydrophobicContact CB-CZ2 4.37Å; P438-V516 WeakPolarHBondContact CA-O 3.03Å |
| 439 | R | 98.3 | Very high | 97.3 | Very high | 42 Ų | 42 | 26.7 Ų | 26.7 | 16% | 0.158 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -106.5 | 152 | 178 | -58.1 | -60.7 | -167.8 | 165.3 | -9.4 | 111.6 | G443 A444 W495 E515 V516 | R439-G443 WeakPolarHBondContact CD-O 3.28Å; R439-A444 CarbonylContact C-O 3.43Å; R439-A444 WeakPolarHBondContact CA-O 3.4Å; R439-W495 PolarHBondContact O-NE1 3.32Å; R439-E515 IonicContact CZ-OE1 3.83Å; R439-E515 IonicContact NE-OE1 3.37Å; R439-E515 IonicContact NH2-OE1 2.83Å; R439-E515 PolarHBondContact NH2-OE1 3.42Å; R439-V516 PolarHBondContact N-O 3.46Å |
| 440 | T | 98.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | trans | -77.6 | 173.7 | 169.9 | 71 | 0 | 0 | 0 | 0 | 110.6 | Y182 F442 G443 A444 F445 A446 | Y182-T440 HydrophobicContact CE2-CG2 4.22Å; T440-F442 PolarHBondContact O-N 2.81Å; T440-F442 PolarHBondContact OG1-N 3.26Å; T440-G443 PolarHBondContact O-N 3.37Å; T440-G443 PolarHBondContact OG1-N 3.08Å; T440-A444 PolarHBondContact N-O 2.89Å; T440-A444 PolarHBondContact OG1-N 3.32Å; T440-F445 WeakPolarHBondContact CG2-O 3.46Å; T440-A446 HydrophobicContact CG2-CB 4.16Å | ||
| 441 | Q | 96.6 | Very high | 97.8 | Very high | 106 Ų | 106 | 18.6 Ų | 18.6 | 50% | 0.495 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.9 | 171.8 | 68 | -178.7 | -54 | 0 | 0 | 113.8 | T179 Y518 | T179-Q441 PolarHBondContact O-NE2 3.34Å; Q441-Y518 HydrophobicContact CB-CD1 3.66Å; Q441-Y518 HydrophobicContact CB-CE1 4.03Å; Q441-Y518 HydrophobicContact CB-CG 4.01Å |
| 442 | F | 96.6 | Very high | 97.9 | Very high | 63 Ų | 63 | 17.3 Ų | 17.3 | 28% | 0.276 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -8 | 175.8 | -56 | -65.9 | 0 | 0 | 0 | 112.8 | G115 G117 T179 R181 T440 | G115-F442 WeakPolarHBondContact O-CD1 3.3Å; G115-F442 VanDerWaalsContact O-CG 3.25Å; G115-F442 WeakPolarHBondContact O-CG 3.22Å; G117-F442 WeakPolarHBondContact CA-O 3.27Å; T179-F442 WeakPolarHBondContact O-CE2 3.44Å; R181-F442 HydrophobicContact CG-CD2 4.32Å; R181-F442 HydrophobicContact CG-CE2 3.71Å; R181-F442 HydrophobicContact CG-CZ 4.29Å; T440-F442 PolarHBondContact O-N 2.81Å; T440-F442 PolarHBondContact OG1-N 3.26Å |
| 443 | G | 96.6 | Very high | 98 | Very high | 36 Ų | 36 | 16.8 Ų | 16.8 | 37% | 0.371 | 9% | 0.085 | S | C | . | . | S | Bend | trans | 91.9 | -5.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R439 T440 | R439-G443 WeakPolarHBondContact CD-O 3.28Å; T440-G443 PolarHBondContact O-N 3.37Å; T440-G443 PolarHBondContact OG1-N 3.08Å |
| 444 | A | 97.8 | Very high | 98 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -71.5 | 172.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D112 R439 T440 | D112-A444 HydrophobicContact CB-CB 3.35Å; D112-A444 VanDerWaalsContact OD2-CB 3.26Å; D112-A444 WeakPolarHBondContact OD2-CB 3.05Å; R439-A444 CarbonylContact C-O 3.43Å; R439-A444 WeakPolarHBondContact CA-O 3.4Å; T440-A444 PolarHBondContact N-O 2.89Å; T440-A444 PolarHBondContact OG1-N 3.32Å |
| 445 | F | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -65.3 | 138.8 | 174.3 | -63 | -67.3 | 0 | 0 | 0 | 112.1 | D53 L60 E119 Y182 I437 T440 R447 P477 | D53-F445 HydrophobicContact CB-CE2 4.29Å; D53-F445 HydrophobicContact CB-CZ 4.4Å; L60-F445 HydrophobicContact CD2-CE1 4.42Å; L60-F445 HydrophobicContact CD2-CE2 4.12Å; L60-F445 HydrophobicContact CD2-CZ 3.62Å; E119-F445 HydrophobicContact CG-CD2 4.26Å; Y182-F445 PolarHBondContact OH-O 2.96Å; I437-F445 HydrophobicContact CG2-CD1 3.61Å; I437-F445 HydrophobicContact CG2-CE1 3.59Å; T440-F445 WeakPolarHBondContact CG2-O 3.46Å; F445-R447 PolarHBondContact O-N 2.76Å; F445-P477 HydrophobicContact CB-CB 3.56Å; F445-P477 HydrophobicContact CB-CG 3.93Å; F445-P477 HydrophobicContact CD1-CB 3.81Å; F445-P477 HydrophobicContact CD1-CG 3.51Å; F445-P477 HydrophobicContact CD2-CB 4.16Å; F445-P477 HydrophobicContact CD2-CG 3.52Å; F445-P477 HydrophobicContact CE1-CG 3.82Å; F445-P477 HydrophobicContact CE2-CG 3.84Å; F445-P477 HydrophobicContact CG-CB 3.58Å; F445-P477 HydrophobicContact CG-CG 3.35Å; F445-P477 HydrophobicContact CZ-CG 3.99Å |
| 446 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -89.2 | 69.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y182 P438 T440 A449 I465 | Y182-A446 WeakPolarHBondContact OH-CA 3.47Å; P438-A446 HydrophobicContact CB-CB 3.96Å; P438-A446 HydrophobicContact CG-CB 4.1Å; P438-A446 WeakPolarHBondContact O-CB 3.19Å; P438-A446 PolarHBondContact O-N 2.81Å; T440-A446 HydrophobicContact CG2-CB 4.16Å; A446-A449 HydrophobicContact CB-CB 3.97Å; A446-A449 WeakPolarHBondContact O-CB 3.37Å; A446-A449 PolarHBondContact O-N 3.15Å; A446-A449 VanDerWaalsContact O-N 3.09Å; A446-I465 WeakPolarHBondContact O-CB 3.42Å | ||
| 447 | R | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 139.8 | 168.9 | -56.4 | 177.6 | -174.7 | -82.8 | 5.1 | 110.6 | V51 A110 E119 Y182 F445 A449 I465 E474 | V51-R447 PolarHBondContact O-NH2 2.84Å; A110-R447 PolarHBondContact O-NE 2.94Å; A110-R447 PolarHBondContact O-NH2 2.9Å; E119-R447 IonicContact OE1-CZ 2.69Å; E119-R447 IonicContact OE1-NE 3.85Å; E119-R447 PolarHBondContact OE1-NE 3.11Å; E119-R447 IonicContact OE1-NH2 3.64Å; E119-R447 PolarHBondContact OE1-NH2 3.18Å; E119-R447 IonicContact OE2-CZ 3Å; E119-R447 IonicContact OE2-NE 3.15Å; E119-R447 IonicContact OE2-NH2 2.8Å; E119-R447 PolarHBondContact OE2-NH2 2.8Å; Y182-R447 HydrophobicContact CE1-CB 3.65Å; Y182-R447 WeakPolarHBondContact CE1-O 3.48Å; Y182-R447 PolarHBondContact OH-N 3.42Å; Y182-R447 PolarHBondContact OH-O 2.87Å; F445-R447 PolarHBondContact O-N 2.76Å; R447-A449 VanDerWaalsContact C-N 3.33Å; R447-I465 CarbonylContact C-O 3.58Å; R447-I465 HydrophobicContact CG-CG2 4.25Å; R447-E474 VanDerWaalsContact CD-OE1 3.25Å; R447-E474 WeakPolarHBondContact CD-OE1 3.2Å; R447-E474 IonicContact CZ-OE1 2.81Å; R447-E474 IonicContact CZ-OE2 3.15Å; R447-E474 IonicContact NE-OE1 3.51Å; R447-E474 PolarHBondContact NE-OE1 2.75Å; R447-E474 IonicContact NH1-OE1 2.73Å; R447-E474 PolarHBondContact NH1-OE1 2.92Å; R447-E474 IonicContact NH1-OE2 3.4Å; R447-E474 IonicContact NH2-OE2 2.74Å |
| 448 | G | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -11.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I465 | G448-I465 WeakPolarHBondContact CA-O 2.91Å; G448-I465 PolarHBondContact N-O 3.24Å |
| 449 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -70.7 | 150.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P438 A446 R447 I465 S494 | P438-A449 HydrophobicContact CB-CB 4.44Å; P438-A449 HydrophobicContact CG-CB 4.1Å; A446-A449 HydrophobicContact CB-CB 3.97Å; A446-A449 WeakPolarHBondContact O-CB 3.37Å; A446-A449 PolarHBondContact O-N 3.15Å; A446-A449 VanDerWaalsContact O-N 3.09Å; R447-A449 VanDerWaalsContact C-N 3.33Å; A449-I465 HydrophobicContact CB-CG1 4.34Å; A449-I465 PolarHBondContact O-N 3.1Å; A449-S494 VanDerWaalsContact CA-O 3.27Å; A449-S494 WeakPolarHBondContact CA-O 3.32Å; A449-S494 WeakPolarHBondContact CB-O 3.38Å | ||
| 450 | K | 98.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 10% | 0.096 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.4 | 170.3 | 175.2 | 177.1 | 73.6 | 168 | 0 | 110 | P238 Q242 G295 T462 S494 | P238-K450 HydrophobicContact CG-CB 3.86Å; P238-K450 HydrophobicContact CG-CD 4.45Å; Q242-K450 VanDerWaalsContact O-CE 3.26Å; Q242-K450 WeakPolarHBondContact O-CE 3.38Å; Q242-K450 PolarHBondContact O-NZ 3.4Å; G295-K450 PolarHBondContact O-NZ 3.44Å; K450-T462 HydrophobicContact CD-CG2 3.68Å; K450-T462 HydrophobicContact CG-CG2 3.6Å; K450-S494 WeakPolarHBondContact CB-OG 3.45Å; K450-S494 PolarHBondContact N-O 2.6Å; K450-S494 PolarHBondContact O-N 2.71Å; K450-S494 PolarHBondContact O-OG 3.18Å; K450-S494 VanDerWaalsContact O-OG 3.1Å |
| 451 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.9 | -179.1 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | V436 P438 T462 R463 I465 A479 F481 L491 E492 V493 | V436-V451 HydrophobicContact CB-CG1 4.04Å; V436-V451 HydrophobicContact CG1-CG1 3.99Å; V436-V451 HydrophobicContact CG2-CG1 4.32Å; P438-V451 HydrophobicContact CG-CG2 4.09Å; V451-T462 CarbonylContact O-C 3.53Å; V451-T462 WeakPolarHBondContact O-CA 3.48Å; V451-R463 PolarHBondContact N-O 2.7Å; V451-R463 PolarHBondContact O-N 3.43Å; V451-I465 HydrophobicContact CG2-CD1 4.45Å; V451-I465 HydrophobicContact CG2-CG1 4.39Å; V451-A479 HydrophobicContact CB-CB 3.69Å; V451-A479 HydrophobicContact CG1-CB 4.01Å; V451-A479 HydrophobicContact CG2-CB 3.75Å; V451-F481 HydrophobicContact CB-CE2 4.44Å; V451-F481 HydrophobicContact CB-CZ 4.11Å; V451-F481 HydrophobicContact CG1-CE2 3.78Å; V451-F481 HydrophobicContact CG1-CZ 3.74Å; V451-L491 HydrophobicContact CG1-CD1 3.59Å; V451-E492 CarbonylContact C-O 3.58Å; V451-E492 WeakPolarHBondContact CA-O 3.29Å; V451-V493 HydrophobicContact CG1-CG2 4.27Å; V451-V493 HydrophobicContact CG2-CG1 4.42Å; V451-V493 HydrophobicContact CG2-CG2 4.37Å |
| 452 | T | 98.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.1 | 179.4 | -48.9 | 0 | 0 | 0 | 0 | 109.9 | F454 L461 E492 | T452-F454 HydrophobicContact CG2-CD2 4.44Å; T452-F454 HydrophobicContact CG2-CE1 4.4Å; T452-F454 HydrophobicContact CG2-CE2 3.92Å; T452-F454 HydrophobicContact CG2-CZ 3.9Å; T452-L461 CarbonylContact C-O 3.54Å; T452-L461 WeakPolarHBondContact CA-O 3.38Å; T452-E492 PolarHBondContact N-O 3.11Å; T452-E492 PolarHBondContact O-N 2.77Å |
| 453 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.2 | 172.9 | 170.6 | 0 | 0 | 0 | 0 | 108.8 | L434 T455 S460 L461 F481 A488 V490 L491 L505 | L434-V453 HydrophobicContact CD2-CG1 4.47Å; L434-V453 HydrophobicContact CD2-CG2 3.89Å; V453-T455 HydrophobicContact CG1-CG2 4.29Å; V453-S460 CarbonylContact O-C 3.51Å; V453-S460 WeakPolarHBondContact O-CA 3.41Å; V453-L461 PolarHBondContact N-O 3.35Å; V453-L461 PolarHBondContact O-N 3.35Å; V453-F481 HydrophobicContact CB-CD1 4.12Å; V453-F481 HydrophobicContact CB-CE1 4.03Å; V453-F481 HydrophobicContact CB-CG 4.41Å; V453-F481 HydrophobicContact CB-CZ 4.27Å; V453-F481 HydrophobicContact CG2-CD1 4.11Å; V453-F481 HydrophobicContact CG2-CD2 3.79Å; V453-F481 HydrophobicContact CG2-CE1 3.92Å; V453-F481 HydrophobicContact CG2-CE2 3.59Å; V453-F481 HydrophobicContact CG2-CG 4.05Å; V453-F481 HydrophobicContact CG2-CZ 3.67Å; V453-A488 HydrophobicContact CG1-CB 3.47Å; V453-A488 VanDerWaalsContact CG1-CB 3.47Å; V453-V490 CarbonylContact C-O 3.53Å; V453-V490 WeakPolarHBondContact CA-O 3.49Å; V453-L491 HydrophobicContact CG2-CD1 3.93Å; V453-L505 HydrophobicContact CG1-CD1 4.24Å |
| 454 | F | 97.9 | Very high | 96.8 | Very high | 76 Ų | 76 | 24 Ų | 24 | 33% | 0.333 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.3 | 171.8 | -58.3 | -92.5 | 0 | 0 | 0 | 109.1 | T452 K489 V490 E492 | T452-F454 HydrophobicContact CG2-CD2 4.44Å; T452-F454 HydrophobicContact CG2-CE1 4.4Å; T452-F454 HydrophobicContact CG2-CE2 3.92Å; T452-F454 HydrophobicContact CG2-CZ 3.9Å; F454-K489 PolarHBondContact O-N 2.76Å; F454-V490 HydrophobicContact CB-CB 4.12Å; F454-V490 HydrophobicContact CD2-CB 3.95Å; F454-V490 HydrophobicContact CD2-CG1 4.04Å; F454-V490 HydrophobicContact CG-CB 4.43Å; F454-V490 PolarHBondContact N-O 2.97Å; F454-V490 PolarHBondContact O-N 3.43Å; F454-E492 HydrophobicContact CE2-CB 4.22Å |
| 455 | T | 95.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 24 Ų | 24 | 9% | 0.086 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 166.9 | 179.7 | 78.6 | 0 | 0 | 0 | 0 | 111.7 | V453 Q457 S458 G459 L461 L483 D486 E487 | V453-T455 HydrophobicContact CG1-CG2 4.29Å; T455-Q457 VanDerWaalsContact C-N 3.34Å; T455-S458 WeakPolarHBondContact OG1-CA 3.34Å; T455-S458 WeakPolarHBondContact OG1-CB 3.27Å; T455-S458 PolarHBondContact OG1-N 2.89Å; T455-G459 PolarHBondContact N-O 2.87Å; T455-G459 PolarHBondContact OG1-N 2.86Å; T455-G459 PolarHBondContact OG1-O 3.01Å; T455-L461 HydrophobicContact CG2-CD1 3.96Å; T455-L461 HydrophobicContact CG2-CG 4.1Å; T455-L483 HydrophobicContact CG2-CD2 4.39Å; T455-D486 WeakPolarHBondContact CB-OD2 3.5Å; T455-D486 PolarHBondContact OG1-OD2 2.89Å; T455-E487 CarbonylContact C-O 3.59Å; T455-E487 WeakPolarHBondContact CA-O 3.49Å; T455-E487 WeakPolarHBondContact CB-O 3.23Å |
| 456 | A | 95.4 | Very high | 96.7 | Very high | 52 Ų | 52 | 24.6 Ų | 24.6 | 43% | 0.43 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -69.1 | -31.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | D486 E487 K489 | A456-D486 PolarHBondContact N-OD1 3.07Å; A456-E487 HydrophobicContact CB-CB 4.32Å; A456-E487 PolarHBondContact N-O 3.29Å; A456-K489 HydrophobicContact CB-CG 4.14Å |
| 457 | Q | 92.8 | Very high | 96.5 | Very high | 155 Ų | 155 | 24.6 Ų | 24.6 | 72% | 0.724 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -121.7 | -38.6 | -170.4 | -55.5 | 178.2 | 29.3 | 0 | 0 | 113.8 | T455 D486 | T455-Q457 VanDerWaalsContact C-N 3.34Å; Q457-D486 PolarHBondContact N-OD1 2.96Å; Q457-D486 VanDerWaalsContact N-OD1 3.11Å; Q457-D486 PolarHBondContact N-OD2 3.21Å |
| 458 | S | 90.1 | Very high | 96.2 | Very high | 53 Ų | 53 | 24.5 Ų | 24.5 | 37% | 0.371 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -95.3 | -1.6 | -168.5 | -47.4 | 0 | 0 | 0 | 0 | 114.9 | K345 T455 D486 | K345-S458 WeakPolarHBondContact CD-OG 3.48Å; K345-S458 VanDerWaalsContact CE-OG 3.32Å; K345-S458 WeakPolarHBondContact CE-OG 3.27Å; T455-S458 WeakPolarHBondContact OG1-CA 3.34Å; T455-S458 WeakPolarHBondContact OG1-CB 3.27Å; T455-S458 PolarHBondContact OG1-N 2.89Å; S458-D486 WeakPolarHBondContact CB-OD2 3.44Å; S458-D486 PolarHBondContact N-OD2 3.29Å; S458-D486 PolarHBondContact OG-OD2 3.28Å |
| 459 | G | 93.1 | Very high | 95.7 | Very high | 37 Ų | 37 | 24.6 Ų | 24.6 | 38% | 0.381 | 14% | 0.143 | S | C | . | . | trans | 82 | -146.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T455 | T455-G459 PolarHBondContact N-O 2.87Å; T455-G459 PolarHBondContact OG1-N 2.86Å; T455-G459 PolarHBondContact OG1-O 3.01Å | ||
| 460 | S | 95.6 | Very high | 95.4 | Very high | 30 Ų | 30 | 24.6 Ų | 24.6 | 21% | 0.21 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 135.2 | -179.6 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | R369 V453 | R369-S460 PolarHBondContact NH1-O 3.05Å; V453-S460 CarbonylContact O-C 3.51Å; V453-S460 WeakPolarHBondContact O-CA 3.41Å |
| 461 | L | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.9 | 163.8 | -53.3 | 179.5 | 0 | 0 | 0 | 107.4 | K345 T452 V453 T455 F481 G482 L483 | K345-L461 HydrophobicContact CB-CD1 4.43Å; K345-L461 HydrophobicContact CB-CD2 4.28Å; K345-L461 HydrophobicContact CG-CD1 4.18Å; T452-L461 CarbonylContact C-O 3.54Å; T452-L461 WeakPolarHBondContact CA-O 3.38Å; V453-L461 PolarHBondContact N-O 3.35Å; V453-L461 PolarHBondContact O-N 3.35Å; T455-L461 HydrophobicContact CG2-CD1 3.96Å; T455-L461 HydrophobicContact CG2-CG 4.1Å; L461-F481 HydrophobicContact CB-CD1 3.62Å; L461-F481 HydrophobicContact CB-CE1 3.87Å; L461-F481 HydrophobicContact CD1-CD1 4.26Å; L461-F481 VanDerWaalsContact O-CE1 3.29Å; L461-F481 WeakPolarHBondContact O-CE1 3.38Å; L461-G482 WeakPolarHBondContact CD1-O 3.23Å; L461-L483 HydrophobicContact CD1-CD2 4.21Å |
| 462 | T | 97.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 137.6 | -177.9 | -45.8 | 0 | 0 | 0 | 0 | 109.3 | D290 K450 V451 | D290-T462 HydrophobicContact CB-CG2 4.44Å; D290-T462 WeakPolarHBondContact OD2-CB 3.5Å; D290-T462 PolarHBondContact OD2-OG1 2.77Å; K450-T462 HydrophobicContact CD-CG2 3.68Å; K450-T462 HydrophobicContact CG-CG2 3.6Å; V451-T462 CarbonylContact O-C 3.53Å; V451-T462 WeakPolarHBondContact O-CA 3.48Å |
| 463 | R | 98.2 | Very high | 94.8 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 9% | 0.087 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.9 | 173 | -61.1 | -65.2 | 179.4 | -97.7 | 4.2 | 109.6 | D340 V451 A479 H480 F481 | D340-R463 IonicContact OD2-NH2 3.13Å; D340-R463 PolarHBondContact OD2-NH2 3.26Å; V451-R463 PolarHBondContact N-O 2.7Å; V451-R463 PolarHBondContact O-N 3.43Å; R463-A479 HydrophobicContact CB-CB 3.7Å; R463-A479 HydrophobicContact CG-CB 4.33Å; R463-H480 WeakPolarHBondContact CD-O 3.46Å; R463-H480 WeakPolarHBondContact CG-O 3.33Å; R463-H480 PolarHBondContact NE-O 3.03Å; R463-F481 HydrophobicContact CB-CE1 4.16Å; R463-F481 HydrophobicContact CB-CZ 3.93Å; R463-F481 HydrophobicContact CG-CD1 3.88Å; R463-F481 HydrophobicContact CG-CE1 3.42Å; R463-F481 VanDerWaalsContact CG-CE1 3.42Å; R463-F481 HydrophobicContact CG-CE2 4.22Å; R463-F481 HydrophobicContact CG-CG 4.46Å; R463-F481 HydrophobicContact CG-CZ 3.61Å |
| 464 | I | 97.9 | Very high | 94.8 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 11% | 0.108 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.8 | -179.2 | -61.9 | 153.5 | 0 | 0 | 0 | 106.1 | L288 T297 D466 | L288-I464 HydrophobicContact CB-CD1 3.65Å; L288-I464 HydrophobicContact CD1-CG2 4.45Å; T297-I464 HydrophobicContact CG2-CD1 3.48Å; T297-I464 VanDerWaalsContact CG2-CD1 3.48Å; T297-I464 VanDerWaalsContact OG1-CD1 3.31Å; T297-I464 WeakPolarHBondContact OG1-CD1 3.37Å; I464-D466 VanDerWaalsContact C-N 3.34Å; I464-D466 HydrophobicContact CG2-CB 4.44Å; I464-D466 PolarHBondContact O-N 3.16Å |
| 465 | I | 98.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -83.1 | 88.1 | 168.3 | -49.5 | -52.4 | 0 | 0 | 0 | 105.4 | P438 A446 R447 G448 A449 V451 P477 A479 | P438-I465 HydrophobicContact CG-CD1 4.28Å; P438-I465 HydrophobicContact CG-CG1 3.64Å; A446-I465 WeakPolarHBondContact O-CB 3.42Å; R447-I465 CarbonylContact C-O 3.58Å; R447-I465 HydrophobicContact CG-CG2 4.25Å; G448-I465 WeakPolarHBondContact CA-O 2.91Å; G448-I465 PolarHBondContact N-O 3.24Å; A449-I465 HydrophobicContact CB-CG1 4.34Å; A449-I465 PolarHBondContact O-N 3.1Å; V451-I465 HydrophobicContact CG2-CD1 4.45Å; V451-I465 HydrophobicContact CG2-CG1 4.39Å; I465-P477 HydrophobicContact CG2-CB 3.99Å; I465-A479 HydrophobicContact CD1-CB 3.7Å | ||
| 466 | D | 96.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 10% | 0.102 | 13% | 0.126 | C | C | . | . | trans | -69.9 | 155.6 | -178 | 63.5 | 74.9 | 0 | 0 | 0 | 112.2 | V235 V236 I464 G468 S469 | V235-D466 HydrophobicContact CG2-CB 4Å; V236-D466 VanDerWaalsContact O-CA 3.27Å; V236-D466 WeakPolarHBondContact O-CA 3.21Å; V236-D466 WeakPolarHBondContact O-CB 3.18Å; I464-D466 VanDerWaalsContact C-N 3.34Å; I464-D466 HydrophobicContact CG2-CB 4.44Å; I464-D466 PolarHBondContact O-N 3.16Å; D466-G468 VanDerWaalsContact C-N 3.29Å; D466-G468 PolarHBondContact OD1-N 2.85Å; D466-G468 VanDerWaalsContact OD1-N 3.13Å; D466-G468 VanDerWaalsContact OD1-O 3.09Å; D466-S469 WeakPolarHBondContact OD1-CB 3.29Å; D466-S469 PolarHBondContact OD1-OG 2.73Å; D466-S469 PolarHBondContact OD2-OG 3.47Å | ||
| 467 | G | 94.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -90.3 | 14.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A172 C173 V236 E474 | A172-G467 CarbonylContact C-O 3.55Å; A172-G467 WeakPolarHBondContact CA-O 3.37Å; A172-G467 VanDerWaalsContact CB-O 3.27Å; A172-G467 WeakPolarHBondContact CB-O 3.36Å; C173-G467 PolarHBondContact N-O 2.93Å; C173-G467 WeakPolarHBondContact O-CA 3.48Å; V236-G467 PolarHBondContact O-N 3.07Å; G467-E474 VanDerWaalsContact C-OE1 3.23Å |
| 468 | G | 89.7 | Confident | 95.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 154.1 | 140.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 109 | V234 V235 D466 | V234-G468 CarbonylContact O-C 3.44Å; V235-G468 WeakPolarHBondContact CA-O 3.25Å; V235-G468 WeakPolarHBondContact CB-O 3.4Å; V235-G468 WeakPolarHBondContact CG2-O 3.47Å; D466-G468 VanDerWaalsContact C-N 3.29Å; D466-G468 PolarHBondContact OD1-N 2.85Å; D466-G468 VanDerWaalsContact OD1-N 3.13Å; D466-G468 VanDerWaalsContact OD1-O 3.09Å |
| 469 | S | 86.9 | Confident | 95.5 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.007 | 6% | 0.057 | C | C | . | . | B | Isolated β-bridge | trans | -164.2 | 171 | -168.4 | 36.1 | 0 | 0 | 0 | 0 | 111.6 | V286 D466 Y471 C473 M475 | V286-S469 CarbonylContact O-C 3.53Å; D466-S469 WeakPolarHBondContact OD1-CB 3.29Å; D466-S469 PolarHBondContact OD1-OG 2.73Å; D466-S469 PolarHBondContact OD2-OG 3.47Å; S469-Y471 PolarHBondContact O-N 2.89Å; S469-C473 PolarHBondContact N-O 3Å; S469-C473 CarbonylContact O-C 3.44Å; S469-C473 WeakPolarHBondContact O-CA 3.33Å; S469-C473 WeakPolarHBondContact O-CB 3.48Å; S469-C473 PolarHBondContact O-N 3.41Å; S469-M475 WeakPolarHBondContact OG-CG 3.27Å; S469-M475 PolarHBondContact OG-N 3.12Å; S469-M475 VanDerWaalsContact OG-N 3.13Å |
| 470 | G | 91.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | B | Isolated β-bridge | trans | 58.4 | -142.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G285 V286 T335 V336 | G285-G470 WeakPolarHBondContact CA-O 3.41Å; V286-G470 PolarHBondContact N-O 3.11Å; V286-G470 VanDerWaalsContact N-O 3.1Å; V286-G470 WeakPolarHBondContact O-CA 3.05Å; V286-G470 PolarHBondContact O-N 3.02Å; T335-G470 WeakPolarHBondContact OG1-CA 3.32Å; V336-G470 VanDerWaalsContact O-CA 3.31Å; V336-G470 WeakPolarHBondContact O-CA 3.33Å |
| 471 | Y | 91.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 6.4 Ų | 6.4 | 4% | 0.043 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 120.7 | 170.7 | -179.1 | -124.2 | 0 | 0 | 0 | 108.5 | R169 R232 R284 R334 T335 S469 C473 | R169-Y471 WeakPolarHBondContact O-CE2 3.34Å; R232-Y471 HydrophobicContact CB-CE2 4.21Å; R232-Y471 VanDerWaalsContact CD-CE2 3.46Å; R232-Y471 WeakPolarHBondContact CD-OH 3.3Å; R232-Y471 HydrophobicContact CG-CE2 4.48Å; R284-Y471 WeakPolarHBondContact O-CD2 3.49Å; R334-Y471 WeakPolarHBondContact O-CB 3.42Å; T335-Y471 PolarHBondContact OG1-N 2.95Å; T335-Y471 VanDerWaalsContact OG1-N 3.08Å; S469-Y471 PolarHBondContact O-N 2.89Å; Y471-C473 PolarHBondContact O-N 2.98Å; Y471-C473 PolarHBondContact O-SG 3.14Å |
| 472 | L | 95.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 6.4 Ų | 6.4 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 9.6 | -178.3 | -56.7 | 156.4 | 0 | 0 | 0 | 114.9 | Y47 G48 I106 V108 R169 S170 | Y47-L472 HydrophobicContact CD1-CD1 4.13Å; G48-L472 VanDerWaalsContact CA-O 3.22Å; G48-L472 WeakPolarHBondContact CA-O 3.38Å; I106-L472 HydrophobicContact CB-CD1 4.3Å; I106-L472 HydrophobicContact CB-CD2 4.3Å; I106-L472 HydrophobicContact CD1-CD1 4.36Å; I106-L472 HydrophobicContact CD1-CD2 3.75Å; I106-L472 HydrophobicContact CG1-CD2 3.8Å; I106-L472 VanDerWaalsContact O-CB 3.3Å; I106-L472 WeakPolarHBondContact O-CB 3.48Å; I106-L472 WeakPolarHBondContact O-CD1 3.33Å; V108-L472 PolarHBondContact N-O 2.85Å; R169-L472 VanDerWaalsContact C-CD2 3.45Å; R169-L472 WeakPolarHBondContact O-CD2 3.37Å; S170-L472 PolarHBondContact OG-N 3.22Å |
| 473 | C | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.031 | C | C | . | . | B | Isolated β-bridge | trans | -118 | 173.7 | -169.6 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | M49 G394 G395 S469 Y471 | M49-C473 PolarHBondContact N-SG 3.27Å; M49-C473 VanDerWaalsContact N-SG 3.43Å; M49-C473 CarbonylContact O-C 3.26Å; M49-C473 WeakPolarHBondContact O-CA 3.31Å; M49-C473 VanDerWaalsContact O-CB 3.26Å; M49-C473 WeakPolarHBondContact O-CB 3.49Å; G394-C473 VanDerWaalsContact CA-SG 3.55Å; G395-C473 PolarHBondContact N-SG 3.27Å; S469-C473 PolarHBondContact N-O 3Å; S469-C473 CarbonylContact O-C 3.44Å; S469-C473 WeakPolarHBondContact O-CA 3.33Å; S469-C473 WeakPolarHBondContact O-CB 3.48Å; S469-C473 PolarHBondContact O-N 3.41Å; Y471-C473 PolarHBondContact O-N 2.98Å; Y471-C473 PolarHBondContact O-SG 3.14Å |
| 474 | E | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.028 | C | C | . | . | B | Isolated β-bridge | trans | -148.8 | 121.9 | 171.8 | -178.8 | 169.8 | -135 | 0 | 0 | 108.7 | M49 A50 V51 T109 A110 R447 G467 | M49-E474 PolarHBondContact O-N 3.16Å; A50-E474 WeakPolarHBondContact CA-O 3.3Å; A50-E474 HydrophobicContact CB-CB 4Å; V51-E474 PolarHBondContact N-O 3.22Å; T109-E474 WeakPolarHBondContact CA-OE2 3.36Å; T109-E474 WeakPolarHBondContact CB-OE2 3.15Å; T109-E474 PolarHBondContact OG1-OE1 2.8Å; T109-E474 VanDerWaalsContact OG1-OE1 3.1Å; T109-E474 PolarHBondContact OG1-OE2 2.83Å; A110-E474 PolarHBondContact N-OE2 2.68Å; R447-E474 VanDerWaalsContact CD-OE1 3.25Å; R447-E474 WeakPolarHBondContact CD-OE1 3.2Å; R447-E474 IonicContact CZ-OE1 2.81Å; R447-E474 IonicContact CZ-OE2 3.15Å; R447-E474 IonicContact NE-OE1 3.51Å; R447-E474 PolarHBondContact NE-OE1 2.75Å; R447-E474 IonicContact NH1-OE1 2.73Å; R447-E474 PolarHBondContact NH1-OE1 2.92Å; R447-E474 IonicContact NH1-OE2 3.4Å; R447-E474 IonicContact NH2-OE2 2.74Å; G467-E474 VanDerWaalsContact C-OE1 3.23Å |
| 475 | M | 96.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 9.8 Ų | 9.8 | 9% | 0.089 | 6% | 0.056 | C | C | . | . | trans | -69 | 168.1 | 178 | -63.1 | -54.9 | 142.3 | 0 | 0 | 111.5 | I337 G395 V397 S469 | I337-M475 HydrophobicContact CB-CE 4.35Å; I337-M475 HydrophobicContact CD1-CE 4.02Å; I337-M475 HydrophobicContact CG1-CE 3.68Å; I337-M475 HydrophobicContact CG2-CE 4.13Å; I337-M475 HydrophobicContact CG2-SD 4.1Å; G395-M475 WeakPolarHBondContact O-CE 3.49Å; V397-M475 HydrophobicContact CG2-SD 3.88Å; S469-M475 WeakPolarHBondContact OG-CG 3.27Å; S469-M475 PolarHBondContact OG-N 3.12Å; S469-M475 VanDerWaalsContact OG-N 3.13Å | ||
| 476 | E | 97.1 | Very high | 95.6 | Very high | 14 Ų | 14 | 9.9 Ų | 9.9 | 7% | 0.065 | 6% | 0.056 | C | C | . | . | trans | -55 | 142.7 | 172.7 | 66.9 | 172.4 | 142.2 | 0 | 0 | 112.3 | V51 L60 T398 L406 R435 V478 | V51-E476 HydrophobicContact CB-CB 4.1Å; V51-E476 HydrophobicContact CG1-CB 3.79Å; L60-E476 HydrophobicContact CD1-CB 4.16Å; T398-E476 WeakPolarHBondContact CA-OE1 3.39Å; L406-E476 WeakPolarHBondContact CD2-OE1 3.39Å; R435-E476 IonicContact CZ-OE2 2.69Å; R435-E476 IonicContact NE-OE2 2.75Å; R435-E476 IonicContact NH2-OE1 3.16Å; R435-E476 IonicContact NH2-OE2 2.69Å; R435-E476 PolarHBondContact NH2-OE2 2.92Å; E476-V478 HydrophobicContact CB-CG2 4.36Å; E476-V478 HydrophobicContact CG-CB 4.05Å; E476-V478 HydrophobicContact CG-CG2 4.3Å; E476-V478 PolarHBondContact O-N 2.88Å; E476-V478 WeakPolarHBondContact OE2-CB 3.41Å; E476-V478 VanDerWaalsContact OE2-CG2 3.25Å; E476-V478 WeakPolarHBondContact OE2-CG2 3.25Å | ||
| 477 | P | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -80.2 | 44.7 | 178.7 | 32.2 | -34.7 | 0 | 0 | 0 | 112.4 | V51 F445 I465 | V51-P477 WeakPolarHBondContact O-CD 3.31Å; F445-P477 HydrophobicContact CB-CB 3.56Å; F445-P477 HydrophobicContact CB-CG 3.93Å; F445-P477 HydrophobicContact CD1-CB 3.81Å; F445-P477 HydrophobicContact CD1-CG 3.51Å; F445-P477 HydrophobicContact CD2-CB 4.16Å; F445-P477 HydrophobicContact CD2-CG 3.52Å; F445-P477 HydrophobicContact CE1-CG 3.82Å; F445-P477 HydrophobicContact CE2-CG 3.84Å; F445-P477 HydrophobicContact CG-CB 3.58Å; F445-P477 HydrophobicContact CG-CG 3.35Å; F445-P477 HydrophobicContact CZ-CG 3.99Å; I465-P477 HydrophobicContact CG2-CB 3.99Å |
| 478 | V | 98.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 13 Ų | 13 | 7% | 0.067 | 7% | 0.072 | C | C | . | . | trans | -130.7 | 126.6 | -173.6 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | L60 R435 I437 E476 H480 | L60-V478 HydrophobicContact CD1-CG2 3.93Å; R435-V478 HydrophobicContact CB-CG1 3.75Å; R435-V478 HydrophobicContact CG-CG1 4.17Å; I437-V478 HydrophobicContact CD1-CG2 4.22Å; I437-V478 HydrophobicContact CG1-CB 4.48Å; I437-V478 HydrophobicContact CG1-CG1 4Å; I437-V478 HydrophobicContact CG1-CG2 3.98Å; E476-V478 HydrophobicContact CB-CG2 4.36Å; E476-V478 HydrophobicContact CG-CB 4.05Å; E476-V478 HydrophobicContact CG-CG2 4.3Å; E476-V478 PolarHBondContact O-N 2.88Å; E476-V478 WeakPolarHBondContact OE2-CB 3.41Å; E476-V478 VanDerWaalsContact OE2-CG2 3.25Å; E476-V478 WeakPolarHBondContact OE2-CG2 3.25Å; V478-H480 PolarHBondContact O-N 3.03Å | ||
| 479 | A | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 104.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109 | R435 V436 V451 R463 I465 F481 | R435-A479 WeakPolarHBondContact CA-O 3.38Å; V436-A479 HydrophobicContact CB-CB 4.27Å; V436-A479 PolarHBondContact N-O 3.02Å; V436-A479 PolarHBondContact O-N 3.09Å; V451-A479 HydrophobicContact CB-CB 3.69Å; V451-A479 HydrophobicContact CG1-CB 4.01Å; V451-A479 HydrophobicContact CG2-CB 3.75Å; R463-A479 HydrophobicContact CB-CB 3.7Å; R463-A479 HydrophobicContact CG-CB 4.33Å; I465-A479 HydrophobicContact CD1-CB 3.7Å; A479-F481 HydrophobicContact CB-CE2 3.66Å; A479-F481 HydrophobicContact CB-CZ 4.09Å; A479-F481 WeakPolarHBondContact O-CD2 3.38Å |
| 480 | H | 98.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 5% | 0.051 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.7 | 178.5 | -174.1 | 73.8 | 0 | 0 | 0 | 112.2 | N343 G404 L406 R435 R463 V478 | N343-H480 PolarHBondContact OD1-CE1 2.85Å; N343-H480 PolarHBondContact OD1-NE2 3.11Å; G404-H480 PolarHBondContact O-CE1 3.09Å; G404-H480 VanDerWaalsContact O-CE1 3.28Å; L406-H480 HydrophobicContact CD1-CB 4.27Å; L406-H480 HydrophobicContact CD2-CB 4.31Å; R435-H480 HydrophobicContact CG-CB 4.45Å; R435-H480 WeakPolarHBondContact CG-ND1 3.28Å; R463-H480 WeakPolarHBondContact CD-O 3.46Å; R463-H480 WeakPolarHBondContact CG-O 3.33Å; R463-H480 PolarHBondContact NE-O 3.03Å; V478-H480 PolarHBondContact O-N 3.03Å |
| 481 | F | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 111.6 | 178.3 | -60.1 | -85.7 | 0 | 0 | 0 | 110.4 | W433 L434 V436 V451 V453 L461 R463 A479 L483 | W433-F481 CarbonylContact C-O 3.55Å; W433-F481 WeakPolarHBondContact CA-O 3.26Å; L434-F481 HydrophobicContact CB-CB 4.37Å; L434-F481 PolarHBondContact N-O 3.35Å; L434-F481 WeakPolarHBondContact O-CB 3.39Å; L434-F481 WeakPolarHBondContact O-CD2 3.23Å; L434-F481 PolarHBondContact O-N 2.93Å; V436-F481 HydrophobicContact CB-CE2 4.5Å; V436-F481 HydrophobicContact CG2-CD2 4.36Å; V436-F481 HydrophobicContact CG2-CE2 4.06Å; V451-F481 HydrophobicContact CB-CE2 4.44Å; V451-F481 HydrophobicContact CB-CZ 4.11Å; V451-F481 HydrophobicContact CG1-CE2 3.78Å; V451-F481 HydrophobicContact CG1-CZ 3.74Å; V453-F481 HydrophobicContact CB-CD1 4.12Å; V453-F481 HydrophobicContact CB-CE1 4.03Å; V453-F481 HydrophobicContact CB-CG 4.41Å; V453-F481 HydrophobicContact CB-CZ 4.27Å; V453-F481 HydrophobicContact CG2-CD1 4.11Å; V453-F481 HydrophobicContact CG2-CD2 3.79Å; V453-F481 HydrophobicContact CG2-CE1 3.92Å; V453-F481 HydrophobicContact CG2-CE2 3.59Å; V453-F481 HydrophobicContact CG2-CG 4.05Å; V453-F481 HydrophobicContact CG2-CZ 3.67Å; L461-F481 HydrophobicContact CB-CD1 3.62Å; L461-F481 HydrophobicContact CB-CE1 3.87Å; L461-F481 HydrophobicContact CD1-CD1 4.26Å; L461-F481 VanDerWaalsContact O-CE1 3.29Å; L461-F481 WeakPolarHBondContact O-CE1 3.38Å; R463-F481 HydrophobicContact CB-CE1 4.16Å; R463-F481 HydrophobicContact CB-CZ 3.93Å; R463-F481 HydrophobicContact CG-CD1 3.88Å; R463-F481 HydrophobicContact CG-CE1 3.42Å; R463-F481 VanDerWaalsContact CG-CE1 3.42Å; R463-F481 HydrophobicContact CG-CE2 4.22Å; R463-F481 HydrophobicContact CG-CG 4.46Å; R463-F481 HydrophobicContact CG-CZ 3.61Å; A479-F481 HydrophobicContact CB-CE2 3.66Å; A479-F481 HydrophobicContact CB-CZ 4.09Å; A479-F481 WeakPolarHBondContact O-CD2 3.38Å; F481-L483 HydrophobicContact CB-CD2 4.28Å |
| 482 | G | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 132.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D340 N343 K345 L461 | D340-G482 WeakPolarHBondContact OD2-CA 3.42Å; D340-G482 PolarHBondContact OD2-N 3.18Å; N343-G482 VanDerWaalsContact CA-CA 3.43Å; N343-G482 CarbonylContact O-C 3.57Å; N343-G482 WeakPolarHBondContact O-CA 3.32Å; K345-G482 WeakPolarHBondContact CA-O 3.41Å; K345-G482 WeakPolarHBondContact CG-O 3.44Å; L461-G482 WeakPolarHBondContact CD1-O 3.23Å |
| 483 | L | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -16.6 | 178.2 | -56.8 | 178.5 | 0 | 0 | 0 | 111.2 | N343 K345 S432 L434 T455 L461 F481 T485 D486 A488 R510 | N343-L483 PolarHBondContact O-N 2.79Å; K345-L483 WeakPolarHBondContact CD-O 3.32Å; K345-L483 PolarHBondContact NZ-O 2.82Å; S432-L483 WeakPolarHBondContact O-CA 3.34Å; S432-L483 WeakPolarHBondContact O-CB 3.26Å; S432-L483 PolarHBondContact O-N 2.89Å; L434-L483 HydrophobicContact CB-CD1 4.16Å; T455-L483 HydrophobicContact CG2-CD2 4.39Å; L461-L483 HydrophobicContact CD1-CD2 4.21Å; F481-L483 HydrophobicContact CB-CD2 4.28Å; L483-T485 PolarHBondContact O-N 3.29Å; L483-T485 VanDerWaalsContact O-N 3.13Å; L483-D486 VanDerWaalsContact O-CB 3.26Å; L483-D486 WeakPolarHBondContact O-CB 3.27Å; L483-D486 PolarHBondContact O-N 2.74Å; L483-A488 HydrophobicContact CD1-CB 4.06Å; L483-A488 HydrophobicContact CD2-CB 4.13Å; L483-R510 HydrophobicContact CD1-CG 4.49Å |
| 484 | G | 96.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.4 | -118.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 110 | N343 S432 R510 | N343-G484 WeakPolarHBondContact O-CA 3.5Å; N343-G484 PolarHBondContact O-N 3.38Å; S432-G484 WeakPolarHBondContact CB-O 3.45Å; S432-G484 PolarHBondContact N-O 2.98Å; S432-G484 PolarHBondContact O-N 2.92Å; G484-R510 PolarHBondContact O-NH2 3.03Å |
| 485 | T | 95.3 | Very high | 97.3 | Very high | 114 Ų | 114 | 21.5 Ų | 21.5 | 70% | 0.699 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -8.5 | 174 | 55.6 | 0 | 0 | 0 | 0 | 114 | L483 | L483-T485 PolarHBondContact O-N 3.29Å; L483-T485 VanDerWaalsContact O-N 3.13Å |
| 486 | D | 95 | Very high | 97.3 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | trans | -69.3 | 170.2 | -178 | -154.9 | -11.5 | 0 | 0 | 0 | 111.3 | K345 T455 A456 Q457 S458 L483 R510 | K345-D486 HydrophobicContact CD-CB 4.1Å; T455-D486 WeakPolarHBondContact CB-OD2 3.5Å; T455-D486 PolarHBondContact OG1-OD2 2.89Å; A456-D486 PolarHBondContact N-OD1 3.07Å; Q457-D486 PolarHBondContact N-OD1 2.96Å; Q457-D486 VanDerWaalsContact N-OD1 3.11Å; Q457-D486 PolarHBondContact N-OD2 3.21Å; S458-D486 WeakPolarHBondContact CB-OD2 3.44Å; S458-D486 PolarHBondContact N-OD2 3.29Å; S458-D486 PolarHBondContact OG-OD2 3.28Å; L483-D486 VanDerWaalsContact O-CB 3.26Å; L483-D486 WeakPolarHBondContact O-CB 3.27Å; L483-D486 PolarHBondContact O-N 2.74Å; D486-R510 PolarHBondContact O-NH1 3.03Å | ||
| 487 | E | 94.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 23.2 Ų | 23.2 | 34% | 0.341 | 13% | 0.125 | S | C | . | . | trans | -122.8 | 124.9 | -179.1 | -165.1 | -172.5 | 159.9 | 0 | 0 | 109.9 | T455 A456 K489 | T455-E487 CarbonylContact C-O 3.59Å; T455-E487 WeakPolarHBondContact CA-O 3.49Å; T455-E487 WeakPolarHBondContact CB-O 3.23Å; A456-E487 HydrophobicContact CB-CB 4.32Å; A456-E487 PolarHBondContact N-O 3.29Å; E487-K489 HydrophobicContact CG-CD 4.47Å; E487-K489 IonicContact OE1-NZ 2.65Å; E487-K489 PolarHBondContact OE1-NZ 3.04Å; E487-K489 VanDerWaalsContact OE2-CE 3.26Å; E487-K489 WeakPolarHBondContact OE2-CE 3.49Å; E487-K489 IonicContact OE2-NZ 2.69Å; E487-K489 PolarHBondContact OE2-NZ 2.89Å | ||
| 488 | A | 96.4 | Very high | 97 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 10% | 0.099 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 133.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L434 V453 L483 L505 | L434-A488 HydrophobicContact CD2-CB 4.17Å; V453-A488 HydrophobicContact CG1-CB 3.47Å; V453-A488 VanDerWaalsContact CG1-CB 3.47Å; L483-A488 HydrophobicContact CD1-CB 4.06Å; L483-A488 HydrophobicContact CD2-CB 4.13Å; A488-L505 HydrophobicContact CB-CD1 3.52Å |
| 489 | K | 97.2 | Very high | 96.9 | Very high | 83 Ų | 83 | 26 Ų | 26 | 36% | 0.361 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | -39.4 | -173 | -65.8 | -62.1 | -174.9 | 179.7 | 0 | 113.8 | F454 A456 E487 A504 L505 | F454-K489 PolarHBondContact O-N 2.76Å; A456-K489 HydrophobicContact CB-CG 4.14Å; E487-K489 HydrophobicContact CG-CD 4.47Å; E487-K489 IonicContact OE1-NZ 2.65Å; E487-K489 PolarHBondContact OE1-NZ 3.04Å; E487-K489 VanDerWaalsContact OE2-CE 3.26Å; E487-K489 WeakPolarHBondContact OE2-CE 3.49Å; E487-K489 IonicContact OE2-NZ 2.69Å; E487-K489 PolarHBondContact OE2-NZ 2.89Å; K489-A504 WeakPolarHBondContact O-CA 3.21Å; K489-L505 PolarHBondContact O-N 2.96Å |
| 490 | V | 98.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 29.2 Ų | 29.2 | 24% | 0.242 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 133.6 | -178 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | V453 F454 T502 R503 L527 | V453-V490 CarbonylContact C-O 3.53Å; V453-V490 WeakPolarHBondContact CA-O 3.49Å; F454-V490 HydrophobicContact CB-CB 4.12Å; F454-V490 HydrophobicContact CD2-CB 3.95Å; F454-V490 HydrophobicContact CD2-CG1 4.04Å; F454-V490 HydrophobicContact CG-CB 4.43Å; F454-V490 PolarHBondContact N-O 2.97Å; F454-V490 PolarHBondContact O-N 3.43Å; V490-T502 HydrophobicContact CG1-CG2 3.5Å; V490-T502 VanDerWaalsContact CG1-CG2 3.5Å; V490-R503 WeakPolarHBondContact CA-O 3.33Å; V490-R503 WeakPolarHBondContact CG1-O 3.41Å; V490-L527 HydrophobicContact CG1-CD1 4.47Å |
| 491 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.1 | 171.5 | 175.4 | 60.9 | 0 | 0 | 0 | 108.7 | V436 V451 V453 V493 T502 R503 L505 V514 V516 | V436-L491 HydrophobicContact CG1-CD1 4.2Å; V436-L491 HydrophobicContact CG1-CD2 4.08Å; V436-L491 HydrophobicContact CG2-CD1 3.99Å; V436-L491 HydrophobicContact CG2-CD2 4.33Å; V451-L491 HydrophobicContact CG1-CD1 3.59Å; V453-L491 HydrophobicContact CG2-CD1 3.93Å; L491-V493 HydrophobicContact CD1-CG2 4.3Å; L491-V493 HydrophobicContact CG-CG2 4.32Å; L491-T502 CarbonylContact O-C 3.45Å; L491-T502 VanDerWaalsContact O-CA 3.3Å; L491-T502 WeakPolarHBondContact O-CA 3.3Å; L491-R503 HydrophobicContact CB-CG 4.46Å; L491-R503 PolarHBondContact N-O 3.34Å; L491-R503 PolarHBondContact O-N 3.2Å; L491-L505 HydrophobicContact CB-CD1 4.04Å; L491-L505 HydrophobicContact CB-CD2 3.9Å; L491-L505 HydrophobicContact CB-CG 3.82Å; L491-L505 HydrophobicContact CD2-CD2 4.24Å; L491-V514 HydrophobicContact CD2-CG1 4.31Å; L491-V516 HydrophobicContact CD2-CG2 3.77Å |
| 492 | E | 98.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 28% | 0.276 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.4 | 168.8 | -177.9 | 177.4 | 87.8 | 0 | 0 | 109.7 | V451 T452 F454 M501 T502 | V451-E492 CarbonylContact C-O 3.58Å; V451-E492 WeakPolarHBondContact CA-O 3.29Å; T452-E492 PolarHBondContact N-O 3.11Å; T452-E492 PolarHBondContact O-N 2.77Å; F454-E492 HydrophobicContact CE2-CB 4.22Å; E492-M501 CarbonylContact C-O 3.45Å; E492-M501 VanDerWaalsContact CA-O 3.26Å; E492-M501 WeakPolarHBondContact CA-O 3.17Å; E492-T502 HydrophobicContact CB-CG2 4.29Å |
| 493 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.5 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | P438 V451 L491 W495 T500 M501 V516 | P438-V493 HydrophobicContact CB-CG1 3.75Å; V451-V493 HydrophobicContact CG1-CG2 4.27Å; V451-V493 HydrophobicContact CG2-CG1 4.42Å; V451-V493 HydrophobicContact CG2-CG2 4.37Å; L491-V493 HydrophobicContact CD1-CG2 4.3Å; L491-V493 HydrophobicContact CG-CG2 4.32Å; V493-W495 HydrophobicContact CB-CE3 4.31Å; V493-W495 HydrophobicContact CB-CH2 3.59Å; V493-W495 HydrophobicContact CB-CZ2 4.28Å; V493-W495 HydrophobicContact CB-CZ3 3.61Å; V493-W495 HydrophobicContact CG1-CD2 4.01Å; V493-W495 HydrophobicContact CG1-CE3 3.81Å; V493-W495 HydrophobicContact CG1-CH2 3.39Å; V493-W495 HydrophobicContact CG1-CZ2 3.59Å; V493-W495 HydrophobicContact CG1-CZ3 3.51Å; V493-W495 HydrophobicContact CG2-CH2 4.49Å; V493-W495 WeakPolarHBondContact O-CZ3 3.28Å; V493-T500 CarbonylContact O-C 3.56Å; V493-T500 VanDerWaalsContact O-CA 3.25Å; V493-T500 WeakPolarHBondContact O-CA 3.18Å; V493-M501 PolarHBondContact N-O 3.04Å; V493-M501 PolarHBondContact O-N 3.02Å; V493-V516 HydrophobicContact CB-CG1 4.5Å; V493-V516 HydrophobicContact CG2-CB 4.3Å; V493-V516 HydrophobicContact CG2-CG1 4.01Å; V493-V516 HydrophobicContact CG2-CG2 4.19Å |
| 494 | S | 97.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.8 | 174.2 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | A449 K450 T499 | A449-S494 VanDerWaalsContact CA-O 3.27Å; A449-S494 WeakPolarHBondContact CA-O 3.32Å; A449-S494 WeakPolarHBondContact CB-O 3.38Å; K450-S494 WeakPolarHBondContact CB-OG 3.45Å; K450-S494 PolarHBondContact N-O 2.6Å; K450-S494 PolarHBondContact O-N 2.71Å; K450-S494 PolarHBondContact O-OG 3.18Å; K450-S494 VanDerWaalsContact O-OG 3.1Å; S494-T499 WeakPolarHBondContact CA-O 3.29Å |
| 495 | W | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | trans | -101.8 | 162.1 | -177.8 | -75.1 | -100.2 | 0 | 0 | 0 | 111.8 | P438 R439 V493 D497 G498 T499 M501 V516 Y518 P519 | P438-W495 HydrophobicContact CB-CZ2 4.37Å; R439-W495 PolarHBondContact O-NE1 3.32Å; V493-W495 HydrophobicContact CB-CE3 4.31Å; V493-W495 HydrophobicContact CB-CH2 3.59Å; V493-W495 HydrophobicContact CB-CZ2 4.28Å; V493-W495 HydrophobicContact CB-CZ3 3.61Å; V493-W495 HydrophobicContact CG1-CD2 4.01Å; V493-W495 HydrophobicContact CG1-CE3 3.81Å; V493-W495 HydrophobicContact CG1-CH2 3.39Å; V493-W495 HydrophobicContact CG1-CZ2 3.59Å; V493-W495 HydrophobicContact CG1-CZ3 3.51Å; V493-W495 HydrophobicContact CG2-CH2 4.49Å; V493-W495 WeakPolarHBondContact O-CZ3 3.28Å; W495-D497 VanDerWaalsContact CB-OD1 3.32Å; W495-D497 WeakPolarHBondContact CB-OD1 3.45Å; W495-D497 PolarHBondContact O-N 2.93Å; W495-D497 VanDerWaalsContact O-N 3.14Å; W495-G498 PolarHBondContact O-N 3.25Å; W495-T499 HydrophobicContact CE3-CG2 4.38Å; W495-T499 PolarHBondContact N-O 3.25Å; W495-M501 HydrophobicContact CH2-CB 4.03Å; W495-M501 HydrophobicContact CZ3-CB 3.78Å; W495-V516 HydrophobicContact CH2-CG1 3.84Å; W495-V516 HydrophobicContact CZ2-CG1 4.19Å; W495-Y518 HydrophobicContact CB-CE2 4.29Å; W495-Y518 AromaticContact CD1-CD2 3.73Å; W495-Y518 HydrophobicContact CD2-CD2 4.07Å; W495-Y518 HydrophobicContact CD2-CE2 4.5Å; W495-Y518 AromaticContact CG-CD2 3.9Å; W495-Y518 HydrophobicContact CG-CD2 3.9Å; W495-Y518 HydrophobicContact CG-CE2 4.1Å; W495-Y518 AromaticContact NE1-CD2 3.77Å; W495-P519 HydrophobicContact CH2-CG 4.27Å; W495-P519 HydrophobicContact CZ3-CG 4.12Å | ||
| 496 | P | 96.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.3 | -176.1 | -28.1 | 37.7 | 0 | 0 | 0 | 116.9 | D175 M243 G498 | D175-P496 HydrophobicContact CB-CB 4.31Å; D175-P496 HydrophobicContact CB-CG 4.25Å; M243-P496 WeakPolarHBondContact O-CA 3.43Å; P496-G498 VanDerWaalsContact C-N 3.3Å |
| 497 | D | 94.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -11 | 172.2 | 58.8 | -7.2 | 0 | 0 | 0 | 114.2 | G178 W495 T499 Y518 | G178-D497 WeakPolarHBondContact O-CB 3.44Å; W495-D497 VanDerWaalsContact CB-OD1 3.32Å; W495-D497 WeakPolarHBondContact CB-OD1 3.45Å; W495-D497 PolarHBondContact O-N 2.93Å; W495-D497 VanDerWaalsContact O-N 3.14Å; D497-T499 VanDerWaalsContact CG-OG1 3.25Å; D497-T499 WeakPolarHBondContact OD1-CB 3.07Å; D497-T499 PolarHBondContact OD1-N 3.33Å; D497-T499 PolarHBondContact OD1-OG1 3.17Å; D497-T499 WeakPolarHBondContact OD2-CB 3.35Å; D497-T499 PolarHBondContact OD2-OG1 3.12Å; D497-Y518 PolarHBondContact OD2-OH 2.99Å |
| 498 | G | 93.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 44 Ų | 44 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 90.9 | 5.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | W495 P496 | W495-G498 PolarHBondContact O-N 3.25Å; P496-G498 VanDerWaalsContact C-N 3.3Å |
| 499 | T | 95.5 | Very high | 95.3 | Very high | 40 Ų | 40 | 45 Ų | 45 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | trans | -64.6 | 140.6 | 168.6 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | S494 W495 D497 Y518 P519 | S494-T499 WeakPolarHBondContact CA-O 3.29Å; W495-T499 HydrophobicContact CE3-CG2 4.38Å; W495-T499 PolarHBondContact N-O 3.25Å; D497-T499 VanDerWaalsContact CG-OG1 3.25Å; D497-T499 WeakPolarHBondContact OD1-CB 3.07Å; D497-T499 PolarHBondContact OD1-N 3.33Å; D497-T499 PolarHBondContact OD1-OG1 3.17Å; D497-T499 WeakPolarHBondContact OD2-CB 3.35Å; D497-T499 PolarHBondContact OD2-OG1 3.12Å; T499-Y518 HydrophobicContact CG2-CE2 4.17Å; T499-Y518 PolarHBondContact OG1-OH 2.83Å; T499-P519 HydrophobicContact CG2-CB 4.25Å; T499-P519 HydrophobicContact CG2-CG 3.82Å | ||
| 500 | T | 95.5 | Very high | 95.1 | Very high | 70 Ų | 70 | 45.4 Ų | 45.4 | 43% | 0.429 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.6 | -179.8 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | V493 | V493-T500 CarbonylContact O-C 3.56Å; V493-T500 VanDerWaalsContact O-CA 3.25Å; V493-T500 WeakPolarHBondContact O-CA 3.18Å |
| 501 | M | 95.9 | Very high | 95.1 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134 | 172.5 | -177.6 | -93.6 | -131.7 | 0 | 0 | 109.3 | E492 V493 W495 R503 V516 P519 | E492-M501 CarbonylContact C-O 3.45Å; E492-M501 VanDerWaalsContact CA-O 3.26Å; E492-M501 WeakPolarHBondContact CA-O 3.17Å; V493-M501 PolarHBondContact N-O 3.04Å; V493-M501 PolarHBondContact O-N 3.02Å; W495-M501 HydrophobicContact CH2-CB 4.03Å; W495-M501 HydrophobicContact CZ3-CB 3.78Å; M501-R503 HydrophobicContact CE-CG 4.16Å; M501-R503 HydrophobicContact SD-CB 4.32Å; M501-R503 HydrophobicContact SD-CG 3.96Å; M501-V516 HydrophobicContact CE-CG1 3.67Å; M501-V516 HydrophobicContact SD-CG1 4.19Å; M501-P519 HydrophobicContact CB-CG 3.93Å; M501-P519 HydrophobicContact CG-CG 4.5Å |
| 502 | T | 96.6 | Very high | 95 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 17% | 0.172 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.2 | 176.1 | -42.6 | 0 | 0 | 0 | 0 | 109.2 | V490 L491 E492 L527 | V490-T502 HydrophobicContact CG1-CG2 3.5Å; V490-T502 VanDerWaalsContact CG1-CG2 3.5Å; L491-T502 CarbonylContact O-C 3.45Å; L491-T502 VanDerWaalsContact O-CA 3.3Å; L491-T502 WeakPolarHBondContact O-CA 3.3Å; E492-T502 HydrophobicContact CB-CG2 4.29Å; T502-L527 HydrophobicContact CG2-CD1 3.69Å |
| 503 | R | 95.6 | Very high | 95 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 158.4 | 174.9 | 66.8 | 172 | -175.7 | 90.9 | -10.3 | 112.1 | V490 L491 M501 E509 | V490-R503 WeakPolarHBondContact CA-O 3.33Å; V490-R503 WeakPolarHBondContact CG1-O 3.41Å; L491-R503 HydrophobicContact CB-CG 4.46Å; L491-R503 PolarHBondContact N-O 3.34Å; L491-R503 PolarHBondContact O-N 3.2Å; M501-R503 HydrophobicContact CE-CG 4.16Å; M501-R503 HydrophobicContact SD-CB 4.32Å; M501-R503 HydrophobicContact SD-CG 3.96Å; R503-E509 IonicContact CZ-OE1 3.87Å; R503-E509 IonicContact CZ-OE2 3.83Å; R503-E509 IonicContact NH1-OE1 2.83Å; R503-E509 PolarHBondContact NH1-OE1 3.11Å; R503-E509 VanDerWaalsContact NH1-OE1 3.13Å; R503-E509 IonicContact NH1-OE2 3.21Å; R503-E509 PolarHBondContact NH1-OE2 2.6Å; R503-E509 IonicContact NH2-OE1 2.87Å; R503-E509 PolarHBondContact NH2-OE1 2.88Å; R503-E509 IonicContact NH2-OE2 3.75Å |
| 504 | A | 97 | Very high | 95 | Very high | 63 Ų | 63 | 49.6 Ų | 49.6 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 145.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K489 | K489-A504 WeakPolarHBondContact O-CA 3.21Å |
| 505 | L | 95.9 | Very high | 95 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 137.2 | 167.5 | -74 | 165.1 | 0 | 0 | 0 | 109.2 | L434 V453 A488 K489 L491 E509 | L434-L505 HydrophobicContact CD2-CD1 3.68Å; L434-L505 HydrophobicContact CD2-CD2 4.22Å; V453-L505 HydrophobicContact CG1-CD1 4.24Å; A488-L505 HydrophobicContact CB-CD1 3.52Å; K489-L505 PolarHBondContact O-N 2.96Å; L491-L505 HydrophobicContact CB-CD1 4.04Å; L491-L505 HydrophobicContact CB-CD2 3.9Å; L491-L505 HydrophobicContact CB-CG 3.82Å; L491-L505 HydrophobicContact CD2-CD2 4.24Å; L505-E509 VanDerWaalsContact CA-OE2 3.32Å; L505-E509 WeakPolarHBondContact CA-OE2 3.33Å; L505-E509 HydrophobicContact CD2-CB 4.42Å; L505-E509 WeakPolarHBondContact CD2-OE2 3.39Å |
| 506 | E | 92.9 | Very high | 95 | Very high | 148 Ų | 148 | 55 Ų | 55 | 69% | 0.692 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -84.3 | 150.1 | 174.7 | -59 | -171.9 | 173.9 | 0 | 0 | 110.4 | G508 E509 | E506-G508 PolarHBondContact O-N 3.11Å; E506-G508 VanDerWaalsContact O-N 3.07Å; E506-E509 HydrophobicContact CB-CG 4.25Å; E506-E509 PolarHBondContact N-OE2 2.84Å; E506-E509 WeakPolarHBondContact O-CB 3.25Å; E506-E509 PolarHBondContact O-N 3.13Å |
| 507 | A | 83.1 | Confident | 95 | Very high | 80 Ų | 80 | 58.1 Ų | 58.1 | 66% | 0.661 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -59.2 | -25.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | E509 | A507-E509 VanDerWaalsContact C-N 3.29Å; A507-E509 PolarHBondContact O-N 3.23Å |
| 508 | G | 88 | Confident | 95 | Very high | 68 Ų | 68 | 57.7 Ų | 57.7 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -75.7 | -10.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E506 R510 | E506-G508 PolarHBondContact O-N 3.11Å; E506-G508 VanDerWaalsContact O-N 3.07Å; G508-R510 VanDerWaalsContact C-N 3.31Å |
| 509 | E | 94.5 | Very high | 95 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 15% | 0.15 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -84.8 | -7.1 | 179.1 | -61.9 | -177.2 | 104.1 | 0 | 0 | 112.6 | L434 R503 L505 E506 A507 S512 V514 | L434-E509 WeakPolarHBondContact CD1-O 3.36Å; R503-E509 IonicContact CZ-OE1 3.87Å; R503-E509 IonicContact CZ-OE2 3.83Å; R503-E509 IonicContact NH1-OE1 2.83Å; R503-E509 PolarHBondContact NH1-OE1 3.11Å; R503-E509 VanDerWaalsContact NH1-OE1 3.13Å; R503-E509 IonicContact NH1-OE2 3.21Å; R503-E509 PolarHBondContact NH1-OE2 2.6Å; R503-E509 IonicContact NH2-OE1 2.87Å; R503-E509 PolarHBondContact NH2-OE1 2.88Å; R503-E509 IonicContact NH2-OE2 3.75Å; L505-E509 VanDerWaalsContact CA-OE2 3.32Å; L505-E509 WeakPolarHBondContact CA-OE2 3.33Å; L505-E509 HydrophobicContact CD2-CB 4.42Å; L505-E509 WeakPolarHBondContact CD2-OE2 3.39Å; E506-E509 HydrophobicContact CB-CG 4.25Å; E506-E509 PolarHBondContact N-OE2 2.84Å; E506-E509 WeakPolarHBondContact O-CB 3.25Å; E506-E509 PolarHBondContact O-N 3.13Å; A507-E509 VanDerWaalsContact C-N 3.29Å; A507-E509 PolarHBondContact O-N 3.23Å; E509-S512 VanDerWaalsContact C-OG 3.22Å; E509-S512 VanDerWaalsContact CA-OG 3.3Å; E509-S512 WeakPolarHBondContact CA-OG 3.21Å; E509-S512 WeakPolarHBondContact O-CB 3.35Å; E509-S512 PolarHBondContact O-N 3.2Å; E509-S512 PolarHBondContact O-OG 3.32Å; E509-V514 HydrophobicContact CB-CG2 4.11Å; E509-V514 HydrophobicContact CG-CG2 4.27Å; E509-V514 WeakPolarHBondContact OE1-CG2 3.25Å |
| 510 | R | 94.2 | Very high | 94.4 | Very high | 91 Ų | 91 | 65.3 Ų | 65.3 | 34% | 0.343 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 135.8 | 170.2 | -177.8 | 179.8 | 179.4 | 143.6 | 7.8 | 109.9 | S432 L483 G484 D486 G508 S512 | S432-R510 VanDerWaalsContact CB-NH2 3.29Å; S432-R510 PolarHBondContact OG-NE 3.11Å; S432-R510 PolarHBondContact OG-NH2 3.13Å; L483-R510 HydrophobicContact CD1-CG 4.49Å; G484-R510 PolarHBondContact O-NH2 3.03Å; D486-R510 PolarHBondContact O-NH1 3.03Å; G508-R510 VanDerWaalsContact C-N 3.31Å; R510-S512 VanDerWaalsContact C-N 3.34Å |
| 511 | N | 97 | Very high | 92.9 | Very high | 76 Ų | 76 | 70.6 Ų | 70.6 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 44 | -174.9 | -53 | -27 | 0 | 0 | 0 | 112.3 | S432 W433 | S432-N511 WeakPolarHBondContact CA-OD1 3.22Å; S432-N511 WeakPolarHBondContact CB-OD1 3.23Å; S432-N511 PolarHBondContact OG-OD1 2.74Å; W433-N511 HydrophobicContact CZ2-CB 4.35Å; W433-N511 PolarHBondContact N-OD1 3.2Å; W433-N511 VanDerWaalsContact O-CA 3.29Å; W433-N511 WeakPolarHBondContact O-CA 3.36Å; W433-N511 PolarHBondContact O-N 2.93Å |
| 512 | S | 97.3 | Very high | 91 | Very high | 31 Ų | 31 | 71.9 Ų | 71.9 | 22% | 0.217 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -141.4 | 165.2 | 179.5 | 81.6 | 0 | 0 | 0 | 0 | 111.6 | W433 R435 E509 R510 | W433-S512 VanDerWaalsContact CZ3-C 3.4Å; W433-S512 WeakPolarHBondContact CZ3-O 3.45Å; R435-S512 PolarHBondContact N-O 3.1Å; E509-S512 VanDerWaalsContact C-OG 3.22Å; E509-S512 VanDerWaalsContact CA-OG 3.3Å; E509-S512 WeakPolarHBondContact CA-OG 3.21Å; E509-S512 WeakPolarHBondContact O-CB 3.35Å; E509-S512 PolarHBondContact O-N 3.2Å; E509-S512 PolarHBondContact O-OG 3.32Å; R510-S512 VanDerWaalsContact C-N 3.34Å |
| 513 | V | 97.7 | Very high | 89.2 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127.8 | 170.1 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | W433 R435 I437 | W433-V513 HydrophobicContact CH2-CG2 4.24Å; W433-V513 HydrophobicContact CZ3-CG2 4.11Å; R435-V513 HydrophobicContact CB-CB 4.45Å; R435-V513 HydrophobicContact CB-CG1 4.34Å; R435-V513 HydrophobicContact CB-CG2 4.08Å; R435-V513 CarbonylContact O-C 3.56Å; R435-V513 WeakPolarHBondContact O-CA 3.29Å; I437-V513 HydrophobicContact CD1-CG1 3.59Å; I437-V513 HydrophobicContact CG1-CG1 3.9Å |
| 514 | V | 97.8 | Very high | 86.9 | Confident | 9 Ų | 9 | 76.9 Ų | 76.9 | 6% | 0.055 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.5 | -179.4 | 172.1 | 0 | 0 | 0 | 0 | 109 | L434 R435 V436 I437 L491 E509 V516 | L434-V514 HydrophobicContact CD1-CB 4.47Å; L434-V514 HydrophobicContact CD1-CG2 3.75Å; R435-V514 PolarHBondContact O-N 2.98Å; V436-V514 CarbonylContact C-O 3.52Å; V436-V514 VanDerWaalsContact CA-O 3.3Å; V436-V514 WeakPolarHBondContact CA-O 3.45Å; I437-V514 PolarHBondContact N-O 3.41Å; L491-V514 HydrophobicContact CD2-CG1 4.31Å; E509-V514 HydrophobicContact CB-CG2 4.11Å; E509-V514 HydrophobicContact CG-CG2 4.27Å; E509-V514 WeakPolarHBondContact OE1-CG2 3.25Å; V514-V516 HydrophobicContact CG1-CG2 4.12Å |
| 515 | E | 97.4 | Very high | 84.5 | Confident | 120 Ų | 120 | 76.4 Ų | 76.4 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 136.9 | 168.9 | -59.1 | -156.9 | 142.4 | 0 | 0 | 111.1 | I437 R439 | I437-E515 HydrophobicContact CB-CG 4.24Å; I437-E515 HydrophobicContact CD1-CG 4.47Å; I437-E515 WeakPolarHBondContact O-CA 3.18Å; R439-E515 IonicContact CZ-OE1 3.83Å; R439-E515 IonicContact NE-OE1 3.37Å; R439-E515 IonicContact NH2-OE1 2.83Å; R439-E515 PolarHBondContact NH2-OE1 3.42Å |
| 516 | V | 97.9 | Very high | 82.1 | Confident | 3 Ų | 3 | 81.9 Ų | 81.9 | 2% | 0.018 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 107.3 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | V436 I437 P438 R439 L491 V493 W495 M501 V514 | V436-V516 HydrophobicContact CG1-CG2 3.7Å; I437-V516 PolarHBondContact O-N 3.31Å; P438-V516 WeakPolarHBondContact CA-O 3.03Å; R439-V516 PolarHBondContact N-O 3.46Å; L491-V516 HydrophobicContact CD2-CG2 3.77Å; V493-V516 HydrophobicContact CB-CG1 4.5Å; V493-V516 HydrophobicContact CG2-CB 4.3Å; V493-V516 HydrophobicContact CG2-CG1 4.01Å; V493-V516 HydrophobicContact CG2-CG2 4.19Å; W495-V516 HydrophobicContact CH2-CG1 3.84Å; W495-V516 HydrophobicContact CZ2-CG1 4.19Å; M501-V516 HydrophobicContact CE-CG1 3.67Å; M501-V516 HydrophobicContact SD-CG1 4.19Å; V514-V516 HydrophobicContact CG1-CG2 4.12Å |
| 517 | A | 96.8 | Very high | 79.7 | Confident | 74 Ų | 74 | 78.9 Ų | 78.9 | 61% | 0.612 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 149.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 518 | Y | 96 | Very high | 77.4 | Confident | 51 Ų | 51 | 78.2 Ų | 78.2 | 20% | 0.2 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 132.3 | 169.2 | -175.9 | -91.1 | 0 | 0 | 0 | 110.2 | Q441 W495 D497 T499 | Q441-Y518 HydrophobicContact CB-CD1 3.66Å; Q441-Y518 HydrophobicContact CB-CE1 4.03Å; Q441-Y518 HydrophobicContact CB-CG 4.01Å; W495-Y518 HydrophobicContact CB-CE2 4.29Å; W495-Y518 AromaticContact CD1-CD2 3.73Å; W495-Y518 HydrophobicContact CD2-CD2 4.07Å; W495-Y518 HydrophobicContact CD2-CE2 4.5Å; W495-Y518 AromaticContact CG-CD2 3.9Å; W495-Y518 HydrophobicContact CG-CD2 3.9Å; W495-Y518 HydrophobicContact CG-CE2 4.1Å; W495-Y518 AromaticContact NE1-CD2 3.77Å; D497-Y518 PolarHBondContact OD2-OH 2.99Å; T499-Y518 HydrophobicContact CG2-CE2 4.17Å; T499-Y518 PolarHBondContact OG1-OH 2.83Å |
| 519 | P | 92.6 | Very high | 74.6 | Confident | 25 Ų | 25 | 82.4 Ų | 82.4 | 16% | 0.162 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 139.9 | -178.5 | -24.8 | 35.7 | 0 | 0 | 0 | 112.7 | W495 T499 M501 | W495-P519 HydrophobicContact CH2-CG 4.27Å; W495-P519 HydrophobicContact CZ3-CG 4.12Å; T499-P519 HydrophobicContact CG2-CB 4.25Å; T499-P519 HydrophobicContact CG2-CG 3.82Å; M501-P519 HydrophobicContact CB-CG 3.93Å; M501-P519 HydrophobicContact CG-CG 4.5Å |
| 520 | R | 82.6 | Confident | 71.7 | Confident | 204 Ų | 204 | 86 Ų | 86 | 77% | 0.77 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -90 | 156.1 | 172.4 | -62.2 | 179.5 | -179.6 | 172.9 | 1 | 110.3 | G522 D523 | R520-G522 PolarHBondContact O-N 2.83Å; R520-D523 WeakPolarHBondContact CB-OD2 3.48Å; R520-D523 PolarHBondContact N-OD2 2.81Å; R520-D523 VanDerWaalsContact N-OD2 3.16Å; R520-D523 WeakPolarHBondContact O-CB 3.45Å; R520-D523 PolarHBondContact O-N 2.86Å |
| 521 | D | 64.3 | Low | 69 | Low | 180 Ų | 180 | 87.2 Ų | 87.2 | 96% | 0.963 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 115.6 | 174.1 | -77.8 | -30.7 | 0 | 0 | 0 | 110.9 | ||
| 522 | G | 56.6 | Low | 65.9 | Low | 75 Ų | 75 | 91.7 Ų | 91.7 | 77% | 0.773 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.1 | -12.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R520 A524 | R520-G522 PolarHBondContact O-N 2.83Å; G522-A524 PolarHBondContact O-N 2.68Å |
| 523 | D | 58.3 | Low | 62.9 | Low | 108 Ų | 108 | 100.3 Ų | 100.3 | 58% | 0.578 | 56% | 0.558 | S | S | * | * | trans | -78.8 | 22.3 | 178.6 | -70.6 | -25.8 | 0 | 0 | 0 | 113.5 | R520 S525 | R520-D523 WeakPolarHBondContact CB-OD2 3.48Å; R520-D523 PolarHBondContact N-OD2 2.81Å; R520-D523 VanDerWaalsContact N-OD2 3.16Å; R520-D523 WeakPolarHBondContact O-CB 3.45Å; R520-D523 PolarHBondContact O-N 2.86Å; D523-S525 PolarHBondContact O-N 3.46Å | ||
| 524 | A | 46.5 | Very low | 59.7 | Low | 87 Ų | 87 | 107.1 Ų | 107.1 | 72% | 0.719 | 58% | 0.577 | S | S | * | * | trans | -52.2 | 113.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | G522 | G522-A524 PolarHBondContact O-N 2.68Š| ||
| 525 | S | 47.4 | Very low | 56.5 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 37% | 0.371 | 61% | 0.61 | S | S | . | * | trans | 20.6 | 100.3 | 159.3 | 65 | 0 | 0 | 0 | 0 | 115.9 | D523 L527 A528 | D523-S525 PolarHBondContact O-N 3.46Å; S525-L527 PolarHBondContact O-N 3.07Å; S525-A528 PolarHBondContact O-N 2.64Å | ||
| 526 | V | 44.2 | Very low | 53.3 | Low | 134 Ų | 134 | 115.8 Ų | 115.8 | 81% | 0.812 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -9.7 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 527 | L | 43.1 | Very low | 50.3 | Low | 85 Ų | 85 | 124.7 Ų | 124.7 | 45% | 0.445 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.1 | -1.3 | -179.1 | -70.8 | 166.4 | 0 | 0 | 0 | 115.8 | V490 T502 S525 N529 | V490-L527 HydrophobicContact CG1-CD1 4.47Å; T502-L527 HydrophobicContact CG2-CD1 3.69Å; S525-L527 PolarHBondContact O-N 3.07Å; L527-N529 VanDerWaalsContact C-N 3.27Å; L527-N529 PolarHBondContact O-N 3.09Å |
| 528 | A | 35.3 | Very low | 47 | Very low | 66 Ų | 66 | 126.6 Ų | 126.6 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.3 | -18.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S525 | S525-A528 PolarHBondContact O-N 2.64Š|
| 529 | N | 29.7 | Very low | 43.8 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 5.8 | -174.7 | -87.4 | -12.5 | 0 | 0 | 0 | 115.6 | L527 | L527-N529 VanDerWaalsContact C-N 3.27Å; L527-N529 PolarHBondContact O-N 3.09Å |
| 530 | D | 33.4 | Very low | 40.8 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 57% | 0.572 | 73% | 0.731 | S | S | * | * | trans | -117.4 | 64.6 | 177.5 | -129.8 | 4.1 | 0 | 0 | 0 | 111.7 | Q532 | D530-Q532 PolarHBondContact O-N 3.43Š| ||
| 531 | T | 36.1 | Very low | 38.5 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 23.3 | 172.6 | 28.6 | 0 | 0 | 0 | 0 | 115 | ||
| 532 | Q | 33.6 | Very low | 36.7 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 7.8 | 178.8 | -81 | -162.8 | -11.5 | 0 | 0 | 116.5 | D530 | D530-Q532 PolarHBondContact O-N 3.43Š|
| 533 | R | 34 | Very low | 35.3 | Very low | 212 Ų | 212 | 133.8 Ų | 133.8 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -115.9 | -3.3 | 173.8 | -74.6 | -170.6 | -177.7 | -176 | 3.5 | 117.1 | H535 | R533-H535 PolarHBondContact O-N 2.76Š|
| 534 | W | 30.5 | Very low | 33.8 | Very low | 214 Ų | 214 | 137.4 Ų | 137.4 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -0.2 | 177.1 | -73.4 | 103 | 0 | 0 | 0 | 115.3 | ||
| 535 | H | 30.9 | Very low | 32.9 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -0.7 | 178.5 | -78 | -50.6 | 0 | 0 | 0 | 115.7 | R533 | R533-H535 PolarHBondContact O-N 2.76Š|
| 536 | L | 29.3 | Very low | 32 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -99.7 | 0.2 | -176.9 | -86.3 | 154.3 | 0 | 0 | 0 | 115.6 | ||
| 537 | F | 34.3 | Very low | 31.4 | Very low | 191 Ų | 191 | 147.5 Ų | 147.5 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -122.1 | 14.3 | 179.8 | -78.3 | -79.8 | 0 | 0 | 0 | 115.7 | ||
| 538 | T | 28.8 | Very low | 30.7 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -112.4 | 35 | 174.7 | 30.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 539 | M | 28.7 | Very low | 30.4 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -133.9 | 72.8 | 166.9 | -71.3 | -150.8 | -141.2 | 0 | 0 | 112.6 | ||||
| 540 | A | 29.7 | Very low | 30.4 | Very low | 103 Ų | 103 | 161.9 Ų | 161.9 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -152.6 | 44.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 541 | S | 32.9 | Very low | 30.5 | Very low | 121 Ų | 121 | 162.9 Ų | 162.9 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | -159.5 | 62.2 | 166.1 | 57 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 542 | A | 26.9 | Very low | 30.3 | Very low | 100 Ų | 100 | 162.9 Ų | 162.9 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | -132.6 | 78.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 543 | L | 28.1 | Very low | 30 | Very low | 174 Ų | 174 | 161.4 Ų | 161.4 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -77.2 | 126.6 | 164.2 | -107.2 | 133.3 | 0 | 0 | 0 | 109 | ||||
| 544 | Q | 27.3 | Very low | 29.8 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -56.7 | 139.2 | -172.8 | -67 | 161.2 | -30.6 | 0 | 0 | 113.8 | ||||
| 545 | W | 26.7 | Very low | 29.7 | Very low | 245 Ų | 245 | 154 Ų | 154 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | trans | -117.1 | 138 | 154.9 | -86.2 | 49.5 | 0 | 0 | 0 | 108.8 | ||||
| 546 | P | 29.4 | Very low | 29.6 | Very low | 114 Ų | 114 | 155 Ų | 155 | 74% | 0.74 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 155.3 | -177.6 | 32.3 | -32.4 | 0 | 0 | 0 | 112 | ||
| 547 | P | 30.7 | Very low | 29.5 | Very low | 127 Ų | 127 | 156 Ų | 156 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 130.3 | -167.7 | 32.5 | -32.4 | 0 | 0 | 0 | 112.4 | ||
| 548 | L | 28.8 | Very low | 29.3 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 124.9 | 165.1 | -98.8 | 125.6 | 0 | 0 | 0 | 110.5 | ||
| 549 | K | 29.2 | Very low | 29.2 | Very low | 198 Ų | 198 | 152.5 Ų | 152.5 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 134.9 | 176 | -70.1 | 177.5 | 175.8 | 178.5 | 0 | 111.3 | ||
| 550 | R | 29.9 | Very low | 29.3 | Very low | 234 Ų | 234 | 149.5 Ų | 149.5 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 162.1 | 159 | -70.6 | -175.5 | 177.9 | -171.2 | -0.8 | 110.5 | ||
| 551 | P | 35.2 | Very low | 29.2 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | -129.6 | 156.3 | 116.6 | 30.8 | -17.6 | 0 | 0 | 0 | 114.4 | |||||
| 552 | V | 31.3 | Very low | 29 | Very low | 118 Ų | 118 | 155.8 Ų | 155.8 | 72% | 0.715 | 82% | 0.819 | S | S | * | * | trans | -64 | 144.2 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 553 | V | 28.3 | Very low | 28.9 | Very low | 138 Ų | 138 | 156.5 Ų | 156.5 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | -153.1 | 135.5 | 126.7 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 554 | T | 29.9 | Very low | 28.8 | Very low | 95 Ų | 95 | 153.4 Ų | 153.4 | 58% | 0.583 | 81% | 0.808 | S | S | * | * | trans | -71.4 | 148.5 | 177.9 | 45.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 555 | H | 28.1 | Very low | 28.8 | Very low | 176 Ų | 176 | 151.5 Ų | 151.5 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | 166 | 152.2 | 104.5 | -101.3 | -4.5 | 0 | 0 | 0 | 114.9 | |||||
| 556 | F | 28.5 | Very low | 28.8 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -55.1 | 146.6 | 175.8 | -83.2 | -118.7 | 0 | 0 | 0 | 115.2 | ||||
| 557 | H | 27.2 | Very low | 28.7 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | -175.9 | 145.8 | 107.6 | -106.3 | 59.5 | 0 | 0 | 0 | 113.1 | |||||
| 558 | S | 30.1 | Very low | 28.7 | Very low | 100 Ų | 100 | 155.7 Ų | 155.7 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -54.8 | 147.5 | 168.6 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 559 | C | 26.3 | Very low | 29.3 | Very low | 132 Ų | 132 | 158.7 Ų | 158.7 | 89% | 0.892 | 81% | 0.809 | S | S | * | * | -163.6 | 137.8 | 123.9 | -137.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 560 | V | 30.3 | Very low | 29.3 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -69.5 | 144.2 | 170.3 | 172.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 561 | S | 27.6 | Very low | 29.3 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | 175.5 | 144.2 | 127.8 | -78.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 562 | R | 28.6 | Very low | 29 | Very low | 237 Ų | 237 | 154.1 Ų | 154.1 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -69.3 | 167.1 | 176.9 | -66.5 | 172.7 | 170.5 | -164.1 | -3.9 | 113.9 | ||||
| 563 | C | 24.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 156.2 Ų | 156.2 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 128.7 | 108.4 | 144.2 | -83.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 564 | C | 27.4 | Very low | 28.9 | Very low | 109 Ų | 109 | 157.4 Ų | 157.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | 86 | 122.6 | 80 | -93.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 565 | L | 26.9 | Very low | 28.8 | Very low | 143 Ų | 143 | 161.5 Ų | 161.5 | 75% | 0.749 | 82% | 0.819 | S | S | * | * | trans | 56.3 | 135.3 | 153.3 | -73.9 | 96.1 | 0 | 0 | 0 | 116.9 | ||||
| 566 | R | 27.1 | Very low | 28.9 | Very low | 210 Ų | 210 | 160.5 Ų | 160.5 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | 170 | 138.1 | 51.7 | -137.7 | 169 | -174.1 | -158.9 | 2.3 | 108.7 | |||||
| 567 | W | 26.1 | Very low | 28.9 | Very low | 204 Ų | 204 | 158.7 Ų | 158.7 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 50.4 | 136.5 | 133.1 | -75.7 | 61.9 | 0 | 0 | 0 | 124.6 | ||||
| 568 | Q | 31.4 | Very low | 29.1 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | 71.9 | 131.9 | 152 | -76.6 | 169.4 | -25.6 | 0 | 0 | 116.5 | ||||
| 569 | I | 42.1 | Very low | 29 | Very low | 240 Ų | 240 | 163.2 Ų | 163.2 | 100% | 1.231 | 84% | 0.835 | S | S | * | * | cis | -130.6 | 0 | 41.6 | -67.6 | 166.2 | 0 | 0 | 0 | 111.9 |
Retrieved 569 of 569 residues in 570 ms
(Link to these results)