| 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 | 44.7 | Very low | 58.3 | Low | 239 Ų | 239 | 125.9 Ų | 125.9 | 100% | 1.177 | 74% | 0.736 | S | S | * | * | 0 | -7.9 | 0 | -73.5 | -155.7 | -136.6 | 0 | 0 | 114.1 | |||||
| 2 | A | 41.4 | Very low | 60.4 | Low | 83 Ų | 83 | 123.4 Ų | 123.4 | 69% | 0.686 | 71% | 0.71 | S | S | * | * | trans | -88.9 | 1.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3 | T | 44.3 | Very low | 62 | Low | 128 Ų | 128 | 121.6 Ų | 121.6 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 5.3 | -168.4 | 43.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 4 | A | 48.8 | Very low | 63.4 | Low | 97 Ų | 97 | 112.9 Ų | 112.9 | 80% | 0.802 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | -2.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 5 | A | 50.6 | Low | 65.1 | Low | 88 Ų | 88 | 107.6 Ų | 107.6 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -95.9 | 12 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 6 | T | 49.8 | Very low | 66.8 | Low | 115 Ų | 115 | 101.4 Ų | 101.4 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -97.3 | 9.9 | -161.5 | 42.4 | 0 | 0 | 0 | 0 | 116.6 | ||
| 7 | E | 59.3 | Low | 68.3 | Low | 184 Ų | 184 | 95.5 Ų | 95.5 | 86% | 0.86 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -126.9 | -16.4 | 179.5 | -71.3 | -170.9 | 171.6 | 0 | 0 | 116.7 | P9 | E7-P9 WeakPolarHBondContact O-CD 3.32Š|
| 8 | E | 64.4 | Low | 69.8 | Low | 184 Ų | 184 | 91.6 Ų | 91.6 | 86% | 0.86 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -93.7 | 118.2 | 176.3 | -72.6 | -167.4 | 164.9 | 0 | 0 | 111.5 | ||
| 9 | P | 77.2 | Confident | 71 | Confident | 116 Ų | 116 | 93.9 Ų | 93.9 | 75% | 0.753 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 149.9 | 174.6 | 28.1 | -33.4 | 0 | 0 | 0 | 110.5 | E7 | E7-P9 WeakPolarHBondContact O-CD 3.32Š|
| 10 | F | 78.4 | Confident | 72 | Confident | 115 Ų | 115 | 91 Ų | 91 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 134.6 | 178.7 | -174.6 | -87.8 | 0 | 0 | 0 | 110.8 | F12 L15 | F10-F12 HydrophobicContact CB-CD2 4.2Å; F10-F12 HydrophobicContact CB-CE2 3.78Å; F10-F12 HydrophobicContact CB-CZ 4.11Å; F10-F12 AromaticContact CD1-CD1 3.72Å; F10-F12 HydrophobicContact CD1-CD1 3.72Å; F10-F12 AromaticContact CD1-CD2 3.98Å; F10-F12 HydrophobicContact CD1-CD2 3.98Å; F10-F12 AromaticContact CD1-CE1 3.72Å; F10-F12 HydrophobicContact CD1-CE1 3.72Å; F10-F12 AromaticContact CD1-CE2 3.98Å; F10-F12 HydrophobicContact CD1-CE2 3.98Å; F10-F12 AromaticContact CD1-CG 3.84Å; F10-F12 HydrophobicContact CD1-CG 3.84Å; F10-F12 AromaticContact CD1-CZ 3.85Å; F10-F12 HydrophobicContact CD1-CZ 3.85Å; F10-F12 HydrophobicContact CE1-CD1 4.15Å; F10-F12 HydrophobicContact CE1-CE1 4.27Å; F10-F12 HydrophobicContact CG-CE2 4.32Å; F10-F12 HydrophobicContact CG-CZ 4.28Å; F10-F12 WeakPolarHBondContact O-CD2 3.49Å; F10-F12 PolarHBondContact O-N 3.08Å; F10-L15 HydrophobicContact CE1-CD1 3.86Å; F10-L15 HydrophobicContact CE1-CD2 4.12Å; F10-L15 HydrophobicContact CE1-CG 4.07Å; F10-L15 HydrophobicContact CZ-CD2 4.32Å |
| 11 | P | 82.3 | Confident | 73.2 | Confident | 36 Ų | 36 | 86.7 Ų | 86.7 | 23% | 0.234 | 48% | 0.48 | C | S | . | . | trans | -78.9 | 64 | -172.4 | 33.6 | -37.7 | 0 | 0 | 0 | 112.2 | H13 G14 A394 | P11-H13 PolarHBondContact O-N 3.29Å; P11-H13 VanDerWaalsContact O-N 3.09Å; P11-G14 PolarHBondContact O-N 2.61Å; P11-A394 HydrophobicContact CB-CB 4.3Å; P11-A394 HydrophobicContact CG-CB 3.86Å | ||
| 12 | F | 83.6 | Confident | 75.6 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 42% | 0.421 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -54.5 | -32.3 | -179.2 | -70.4 | -76 | 0 | 0 | 0 | 113.2 | F10 G14 L15 E281 | F10-F12 HydrophobicContact CB-CD2 4.2Å; F10-F12 HydrophobicContact CB-CE2 3.78Å; F10-F12 HydrophobicContact CB-CZ 4.11Å; F10-F12 AromaticContact CD1-CD1 3.72Å; F10-F12 HydrophobicContact CD1-CD1 3.72Å; F10-F12 AromaticContact CD1-CD2 3.98Å; F10-F12 HydrophobicContact CD1-CD2 3.98Å; F10-F12 AromaticContact CD1-CE1 3.72Å; F10-F12 HydrophobicContact CD1-CE1 3.72Å; F10-F12 AromaticContact CD1-CE2 3.98Å; F10-F12 HydrophobicContact CD1-CE2 3.98Å; F10-F12 AromaticContact CD1-CG 3.84Å; F10-F12 HydrophobicContact CD1-CG 3.84Å; F10-F12 AromaticContact CD1-CZ 3.85Å; F10-F12 HydrophobicContact CD1-CZ 3.85Å; F10-F12 HydrophobicContact CE1-CD1 4.15Å; F10-F12 HydrophobicContact CE1-CE1 4.27Å; F10-F12 HydrophobicContact CG-CE2 4.32Å; F10-F12 HydrophobicContact CG-CZ 4.28Å; F10-F12 WeakPolarHBondContact O-CD2 3.49Å; F10-F12 PolarHBondContact O-N 3.08Å; F12-G14 PolarHBondContact O-N 3.1Å; F12-L15 HydrophobicContact CD1-CD1 4.17Å; F12-L15 WeakPolarHBondContact O-CB 3.05Å; F12-L15 PolarHBondContact O-N 3.43Å; F12-L15 VanDerWaalsContact O-N 3.08Å; F12-E281 HydrophobicContact CB-CB 4.17Å; F12-E281 HydrophobicContact CB-CG 4.11Å; F12-E281 HydrophobicContact CD1-CG 4.02Å; F12-E281 HydrophobicContact CG-CG 4.08Å |
| 13 | H | 81.9 | Confident | 78.3 | Confident | 100 Ų | 100 | 71.6 Ų | 71.6 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -61.5 | -23.8 | 177 | 61.5 | -87 | 0 | 0 | 0 | 114 | P11 D390 | P11-H13 PolarHBondContact O-N 3.29Å; P11-H13 VanDerWaalsContact O-N 3.09Å; H13-D390 IonicContact NE2-OD2 3.58Å |
| 14 | G | 81.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -85.1 | -11.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P11 F12 E395 | P11-G14 PolarHBondContact O-N 2.61Å; F12-G14 PolarHBondContact O-N 3.1Å; G14-E395 VanDerWaalsContact O-CG 3.23Å; G14-E395 WeakPolarHBondContact O-CG 3.29Å |
| 15 | L | 88.5 | Confident | 82.9 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -32.3 | 179 | -62 | -171.8 | 0 | 0 | 0 | 113.1 | F10 F12 A394 A430 I431 | F10-L15 HydrophobicContact CE1-CD1 3.86Å; F10-L15 HydrophobicContact CE1-CD2 4.12Å; F10-L15 HydrophobicContact CE1-CG 4.07Å; F10-L15 HydrophobicContact CZ-CD2 4.32Å; F12-L15 HydrophobicContact CD1-CD1 4.17Å; F12-L15 WeakPolarHBondContact O-CB 3.05Å; F12-L15 PolarHBondContact O-N 3.43Å; F12-L15 VanDerWaalsContact O-N 3.08Å; L15-A394 HydrophobicContact CD2-CB 4.18Å; L15-A430 CarbonylContact O-C 3.54Å; L15-A430 WeakPolarHBondContact O-CA 3.32Å; L15-I431 HydrophobicContact CB-CB 4.43Å; L15-I431 HydrophobicContact CD2-CB 4.48Å; L15-I431 HydrophobicContact CD2-CD1 3.88Å; L15-I431 HydrophobicContact CD2-CG1 4.24Å; L15-I431 PolarHBondContact O-N 2.69Å |
| 16 | L | 91.9 | Very high | 85.1 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -139.5 | 83.9 | 174.9 | -158.7 | 160 | 0 | 0 | 0 | 107.6 | K18 N283 V285 | L16-K18 HydrophobicContact CD2-CG 4.19Å; L16-K18 PolarHBondContact O-N 2.9Å; L16-N283 WeakPolarHBondContact CD1-O 3.2Å; L16-V285 HydrophobicContact CD2-CG2 4.13Å |
| 17 | P | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -65.2 | 125 | -168.8 | 24.1 | -35.7 | 0 | 0 | 0 | 113 | M391 P427 N454 | P17-M391 HydrophobicContact CB-CG 4.06Å; P17-M391 HydrophobicContact CB-SD 4.23Å; P17-M391 HydrophobicContact CG-CE 4.25Å; P17-M391 HydrophobicContact CG-CG 3.9Å; P17-M391 HydrophobicContact CG-SD 3.85Å; P17-P427 HydrophobicContact CB-CB 3.88Å; P17-P427 HydrophobicContact CB-CG 3.92Å; P17-P427 HydrophobicContact CG-CB 3.27Å; P17-P427 HydrophobicContact CG-CG 3.87Å; P17-N454 PolarHBondContact O-ND2 2.92Å | ||
| 18 | K | 94.6 | Very high | 89.1 | Confident | 25 Ų | 25 | 54.4 Ų | 54.4 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | trans | -129.8 | -11.7 | 179.1 | -66.1 | 175.9 | -157.4 | -178.4 | 0 | 113.4 | L16 T21 A23 S24 N283 G284 V285 | L16-K18 HydrophobicContact CD2-CG 4.19Å; L16-K18 PolarHBondContact O-N 2.9Å; K18-T21 PolarHBondContact O-OG1 3.25Å; K18-A23 HydrophobicContact CB-CB 4.15Å; K18-A23 PolarHBondContact O-N 3.19Å; K18-A23 VanDerWaalsContact O-N 3.08Å; K18-S24 WeakPolarHBondContact CB-OG 3.27Å; K18-S24 PolarHBondContact O-N 3.33Å; K18-N283 WeakPolarHBondContact CE-O 3.49Å; K18-N283 PolarHBondContact NZ-O 3.14Å; K18-G284 VanDerWaalsContact CE-O 3.26Å; K18-G284 WeakPolarHBondContact CE-O 3.27Å; K18-G284 PolarHBondContact NZ-O 3.48Å; K18-V285 HydrophobicContact CG-CG2 4.34Å | ||
| 19 | K | 93.2 | Very high | 90.7 | Very high | 137 Ų | 137 | 52.7 Ų | 52.7 | 60% | 0.596 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -43.8 | -171.4 | -177 | -178.6 | 174.7 | -172.1 | 0 | 110.7 | T21 G22 | K19-T21 PolarHBondContact O-N 3.45Å; K19-G22 PolarHBondContact O-N 3.22Å; K19-G22 VanDerWaalsContact O-N 3.16Å |
| 20 | E | 91.4 | Very high | 91.6 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -27 | -177.8 | -59.9 | 86 | 169.5 | 0 | 0 | 112.1 | Y386 S388 Q503 | E20-Y386 HydrophobicContact CB-CE1 4.29Å; E20-Y386 HydrophobicContact CG-CE1 4.12Å; E20-S388 WeakPolarHBondContact OE1-CB 3.35Å; E20-S388 PolarHBondContact OE1-OG 3.39Å; E20-Q503 PolarHBondContact O-NE2 3.26Å |
| 21 | T | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -1.8 | 178.3 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | K18 K19 A23 P427 N454 I501 I502 Q503 V504 | K18-T21 PolarHBondContact O-OG1 3.25Å; K19-T21 PolarHBondContact O-N 3.45Å; T21-A23 PolarHBondContact O-N 3.2Å; T21-P427 VanDerWaalsContact CG2-CD 3.46Å; T21-P427 HydrophobicContact CG2-CG 4.06Å; T21-N454 WeakPolarHBondContact CG2-OD1 3.48Å; T21-I501 HydrophobicContact CG2-CG2 4.39Å; T21-I502 CarbonylContact C-O 3.5Å; T21-I502 VanDerWaalsContact CA-O 3.23Å; T21-I502 WeakPolarHBondContact CA-O 3.3Å; T21-I502 HydrophobicContact CG2-CG2 3.58Å; T21-Q503 CarbonylContact O-C 3.58Å; T21-Q503 WeakPolarHBondContact O-CA 3.16Å; T21-V504 WeakPolarHBondContact O-CG2 3.24Å; T21-V504 PolarHBondContact O-N 3.48Å |
| 22 | G | 96.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 6.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K19 S25 F26 | K19-G22 PolarHBondContact O-N 3.22Å; K19-G22 VanDerWaalsContact O-N 3.16Å; G22-S25 PolarHBondContact O-OG 2.63Å; G22-F26 VanDerWaalsContact O-CB 3.29Å; G22-F26 WeakPolarHBondContact O-CB 3.42Å; G22-F26 PolarHBondContact O-N 3.36Å |
| 23 | A | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -41 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | K18 T21 F26 L27 V285 L461 V504 | K18-A23 HydrophobicContact CB-CB 4.15Å; K18-A23 PolarHBondContact O-N 3.19Å; K18-A23 VanDerWaalsContact O-N 3.08Å; T21-A23 PolarHBondContact O-N 3.2Å; A23-F26 PolarHBondContact O-N 3.17Å; A23-L27 WeakPolarHBondContact O-CG 3.3Å; A23-L27 PolarHBondContact O-N 2.9Å; A23-V285 HydrophobicContact CB-CG1 3.89Å; A23-L461 HydrophobicContact CB-CD1 3.79Å; A23-V504 HydrophobicContact CB-CG2 4.12Å |
| 24 | S | 94.8 | Very high | 94.5 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 33% | 0.329 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 177.1 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | K18 F26 L27 C28 | K18-S24 WeakPolarHBondContact CB-OG 3.27Å; K18-S24 PolarHBondContact O-N 3.33Å; S24-F26 VanDerWaalsContact C-N 3.32Å; S24-F26 PolarHBondContact O-N 3.15Å; S24-L27 PolarHBondContact O-N 2.62Å; S24-C28 PolarHBondContact O-N 3.45Å; S24-C28 PolarHBondContact O-SG 3.41Å |
| 25 | S | 95.6 | Very high | 95.3 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 41% | 0.413 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 178.3 | 48 | 0 | 0 | 0 | 0 | 111.5 | G22 C28 R29 | G22-S25 PolarHBondContact O-OG 2.63Å; S25-C28 PolarHBondContact O-N 3.09Å; S25-R29 PolarHBondContact O-N 2.96Å; S25-R29 VanDerWaalsContact O-N 3.08Å |
| 26 | F | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -49.4 | 175.6 | -174.7 | -100.2 | 0 | 0 | 0 | 112.2 | G22 A23 S24 C28 R29 Y30 Y33 L461 V504 D505 Y508 | G22-F26 VanDerWaalsContact O-CB 3.29Å; G22-F26 WeakPolarHBondContact O-CB 3.42Å; G22-F26 PolarHBondContact O-N 3.36Å; A23-F26 PolarHBondContact O-N 3.17Å; S24-F26 VanDerWaalsContact C-N 3.32Å; S24-F26 PolarHBondContact O-N 3.15Å; F26-C28 VanDerWaalsContact C-N 3.34Å; F26-C28 PolarHBondContact O-N 3.45Å; F26-R29 PolarHBondContact O-N 2.66Å; F26-R29 VanDerWaalsContact O-N 3.11Å; F26-Y30 AromaticContact CD2-CD2 3.81Å; F26-Y30 HydrophobicContact CD2-CD2 3.81Å; F26-Y30 HydrophobicContact CD2-CE2 4.21Å; F26-Y30 AromaticContact CE2-CD2 3.56Å; F26-Y30 HydrophobicContact CE2-CD2 3.56Å; F26-Y30 AromaticContact CE2-CE2 3.92Å; F26-Y30 HydrophobicContact CE2-CE2 3.92Å; F26-Y30 HydrophobicContact CG-CD2 4.44Å; F26-Y30 HydrophobicContact CZ-CD2 4.02Å; F26-Y30 PolarHBondContact O-N 2.95Å; F26-Y33 HydrophobicContact CE1-CD2 4.31Å; F26-Y33 AromaticContact CZ-CD2 3.83Å; F26-Y33 HydrophobicContact CZ-CD2 3.83Å; F26-Y33 HydrophobicContact CZ-CG 4.48Å; F26-L461 HydrophobicContact CD1-CB 3.97Å; F26-L461 HydrophobicContact CD1-CD1 4.35Å; F26-L461 HydrophobicContact CE1-CB 3.87Å; F26-V504 HydrophobicContact CB-CG1 3.94Å; F26-V504 HydrophobicContact CD1-CG1 3.84Å; F26-V504 HydrophobicContact CD2-CG1 4.21Å; F26-V504 HydrophobicContact CE1-CG1 4.38Å; F26-V504 HydrophobicContact CG-CG1 3.73Å; F26-D505 HydrophobicContact CB-CB 4.38Å; F26-D505 HydrophobicContact CD2-CB 4.27Å; F26-Y508 AromaticContact CE2-CD1 3.73Å; F26-Y508 HydrophobicContact CE2-CD1 3.73Å; F26-Y508 HydrophobicContact CE2-CD2 4.24Å; F26-Y508 HydrophobicContact CE2-CE1 4.4Å; F26-Y508 AromaticContact CE2-CG 3.61Å; F26-Y508 HydrophobicContact CE2-CG 3.61Å; F26-Y508 HydrophobicContact CZ-CD1 4.39Å; F26-Y508 HydrophobicContact CZ-CD2 4.19Å; F26-Y508 HydrophobicContact CZ-CG 4.03Å |
| 27 | L | 96.8 | Very high | 96 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 177.8 | -74 | 170.7 | 0 | 0 | 0 | 112.8 | A23 S24 R29 Y30 P31 D34 L461 | A23-L27 WeakPolarHBondContact O-CG 3.3Å; A23-L27 PolarHBondContact O-N 2.9Å; S24-L27 PolarHBondContact O-N 2.62Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 2.89Å; L27-Y30 CarbonylContact O-C 3.52Å; L27-P31 VanDerWaalsContact O-CA 3.28Å; L27-P31 WeakPolarHBondContact O-CA 3.33Å; L27-P31 VanDerWaalsContact O-N 3.13Å; L27-D34 HydrophobicContact CD2-CB 3.98Å; L27-L461 HydrophobicContact CD1-CD1 4.28Å; L27-L461 HydrophobicContact CD2-CD1 4.41Å; L27-L461 HydrophobicContact CD2-CD2 3.71Å; L27-L461 HydrophobicContact CG-CD1 4.12Å; L27-L461 HydrophobicContact CG-CD2 4.3Å |
| 28 | C | 95.6 | Very high | 96.3 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 74% | 0.736 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.1 | -36.4 | 173.1 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | S24 S25 F26 | S24-C28 PolarHBondContact O-N 3.45Å; S24-C28 PolarHBondContact O-SG 3.41Å; S25-C28 PolarHBondContact O-N 3.09Å; F26-C28 VanDerWaalsContact C-N 3.34Å; F26-C28 PolarHBondContact O-N 3.45Å |
| 29 | R | 97 | Very high | 96.5 | Very high | 149 Ų | 149 | 47.6 Ų | 47.6 | 56% | 0.562 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -79 | -35.8 | 178.8 | -174.4 | 176.4 | 174 | -166.4 | -4.8 | 112.3 | S25 F26 L27 D509 | S25-R29 PolarHBondContact O-N 2.96Å; S25-R29 VanDerWaalsContact O-N 3.08Å; F26-R29 PolarHBondContact O-N 2.66Å; F26-R29 VanDerWaalsContact O-N 3.11Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 2.89Å; R29-D509 IonicContact NH1-OD1 2.7Å; R29-D509 IonicContact NH1-OD2 3.85Å |
| 30 | Y | 97.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 41 Ų | 41 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | trans | -133.4 | 77.1 | -177.1 | -53.5 | -69.5 | 0 | 0 | 0 | 111.2 | F26 L27 E32 Y33 Y508 | F26-Y30 AromaticContact CD2-CD2 3.81Å; F26-Y30 HydrophobicContact CD2-CD2 3.81Å; F26-Y30 HydrophobicContact CD2-CE2 4.21Å; F26-Y30 AromaticContact CE2-CD2 3.56Å; F26-Y30 HydrophobicContact CE2-CD2 3.56Å; F26-Y30 AromaticContact CE2-CE2 3.92Å; F26-Y30 HydrophobicContact CE2-CE2 3.92Å; F26-Y30 HydrophobicContact CG-CD2 4.44Å; F26-Y30 HydrophobicContact CZ-CD2 4.02Å; F26-Y30 PolarHBondContact O-N 2.95Å; L27-Y30 CarbonylContact O-C 3.52Å; Y30-E32 PolarHBondContact O-N 3.15Å; Y30-E32 VanDerWaalsContact O-N 3.12Å; Y30-Y33 AromaticContact CD1-CD2 3.96Å; Y30-Y33 HydrophobicContact CD1-CD2 3.96Å; Y30-Y33 AromaticContact CD1-CE2 3.5Å; Y30-Y33 HydrophobicContact CD1-CE2 3.5Å; Y30-Y33 AromaticContact CD2-CD2 3.99Å; Y30-Y33 HydrophobicContact CD2-CD2 3.99Å; Y30-Y33 HydrophobicContact CD2-CE2 4.18Å; Y30-Y33 HydrophobicContact CE1-CE2 4.06Å; Y30-Y33 AromaticContact CG-CD2 3.51Å; Y30-Y33 HydrophobicContact CG-CD2 3.51Å; Y30-Y33 AromaticContact CG-CE2 3.57Å; Y30-Y33 HydrophobicContact CG-CE2 3.57Å; Y30-Y33 HydrophobicContact CG-CG 4.33Å; Y30-Y33 PolarHBondContact O-N 3.05Å; Y30-Y508 HydrophobicContact CE2-CD1 4.36Å; Y30-Y508 HydrophobicContact CE2-CE1 4.12Å | ||
| 31 | P | 95.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 39.4 Ų | 39.4 | 53% | 0.526 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.6 | -176.8 | -26.5 | 35.7 | 0 | 0 | 0 | 114 | L27 Y33 | L27-P31 VanDerWaalsContact O-CA 3.28Å; L27-P31 WeakPolarHBondContact O-CA 3.33Å; L27-P31 VanDerWaalsContact O-N 3.13Å; P31-Y33 VanDerWaalsContact C-N 3.32Å |
| 32 | E | 96.2 | Very high | 97.3 | Very high | 111 Ų | 111 | 39.4 Ų | 39.4 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.5 | -178.4 | -58.1 | -65.1 | 90.1 | 0 | 0 | 113.5 | Y30 D34 R36 | Y30-E32 PolarHBondContact O-N 3.15Å; Y30-E32 VanDerWaalsContact O-N 3.12Å; E32-D34 PolarHBondContact O-N 2.9Å; E32-R36 WeakPolarHBondContact O-CD 3.37Å; E32-R36 WeakPolarHBondContact O-CG 3.41Å; E32-R36 PolarHBondContact O-NE 3.34Å; E32-R36 VanDerWaalsContact O-NE 3.16Å; E32-R36 IonicContact OE1-CZ 3.87Å; E32-R36 IonicContact OE1-NH1 2.97Å; E32-R36 IonicContact OE1-NH2 3.2Å; E32-R36 PolarHBondContact OE1-NH2 3.16Å; E32-R36 IonicContact OE2-CZ 3.21Å; E32-R36 IonicContact OE2-NH1 3.86Å; E32-R36 PolarHBondContact OE2-NH1 3.14Å; E32-R36 IonicContact OE2-NH2 3.34Å |
| 33 | Y | 97.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 15% | 0.145 | 22% | 0.215 | C | C | . | . | trans | -97 | 41.6 | 177.3 | -57.1 | -6.2 | 0 | 0 | 0 | 110 | F26 Y30 P31 G35 L461 G465 A468 N469 | F26-Y33 HydrophobicContact CE1-CD2 4.31Å; F26-Y33 AromaticContact CZ-CD2 3.83Å; F26-Y33 HydrophobicContact CZ-CD2 3.83Å; F26-Y33 HydrophobicContact CZ-CG 4.48Å; Y30-Y33 AromaticContact CD1-CD2 3.96Å; Y30-Y33 HydrophobicContact CD1-CD2 3.96Å; Y30-Y33 AromaticContact CD1-CE2 3.5Å; Y30-Y33 HydrophobicContact CD1-CE2 3.5Å; Y30-Y33 AromaticContact CD2-CD2 3.99Å; Y30-Y33 HydrophobicContact CD2-CD2 3.99Å; Y30-Y33 HydrophobicContact CD2-CE2 4.18Å; Y30-Y33 HydrophobicContact CE1-CE2 4.06Å; Y30-Y33 AromaticContact CG-CD2 3.51Å; Y30-Y33 HydrophobicContact CG-CD2 3.51Å; Y30-Y33 AromaticContact CG-CE2 3.57Å; Y30-Y33 HydrophobicContact CG-CE2 3.57Å; Y30-Y33 HydrophobicContact CG-CG 4.33Å; Y30-Y33 PolarHBondContact O-N 3.05Å; P31-Y33 VanDerWaalsContact C-N 3.32Å; Y33-G35 VanDerWaalsContact C-N 3.26Å; Y33-G35 PolarHBondContact O-N 3.33Å; Y33-L461 VanDerWaalsContact O-CD2 3.28Å; Y33-L461 WeakPolarHBondContact O-CD2 3.35Å; Y33-G465 VanDerWaalsContact CD2-CA 3.44Å; Y33-G465 VanDerWaalsContact CG-CA 3.47Å; Y33-A468 HydrophobicContact CD1-CB 4Å; Y33-A468 HydrophobicContact CE1-CB 3.66Å; Y33-N469 VanDerWaalsContact CZ-ND2 3.34Å; Y33-N469 PolarHBondContact OH-ND2 3.03Å | ||
| 34 | D | 97.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -84 | 9.5 | -171.4 | 60.5 | 4.7 | 0 | 0 | 0 | 114.6 | L27 E32 R36 T58 A286 G288 L461 | L27-D34 HydrophobicContact CD2-CB 3.98Å; E32-D34 PolarHBondContact O-N 2.9Å; D34-R36 WeakPolarHBondContact OD1-CB 3.18Å; D34-R36 WeakPolarHBondContact OD1-CG 3.36Å; D34-R36 IonicContact OD1-CZ 3.36Å; D34-R36 PolarHBondContact OD1-N 3.42Å; D34-R36 VanDerWaalsContact OD1-N 3.17Å; D34-R36 IonicContact OD1-NE 2.62Å; D34-R36 PolarHBondContact OD1-NE 3.23Å; D34-R36 IonicContact OD1-NH2 3.42Å; D34-R36 IonicContact OD2-CZ 3.45Å; D34-R36 IonicContact OD2-NE 2.66Å; D34-R36 IonicContact OD2-NH2 3.52Å; D34-R36 PolarHBondContact OD2-NH2 3.28Å; D34-T58 VanDerWaalsContact OD2-CB 3.3Å; D34-T58 WeakPolarHBondContact OD2-CB 3.27Å; D34-T58 PolarHBondContact OD2-OG1 3.3Å; D34-A286 CarbonylContact O-C 3.47Å; D34-A286 VanDerWaalsContact O-CA 3.28Å; D34-A286 WeakPolarHBondContact O-CA 3.31Å; D34-G288 WeakPolarHBondContact O-CA 3.47Å; D34-G288 PolarHBondContact O-N 2.84Å; D34-L461 VanDerWaalsContact C-CD2 3.46Å |
| 35 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 104.4 | -6.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y33 G37 V38 G288 A289 S464 | Y33-G35 VanDerWaalsContact C-N 3.26Å; Y33-G35 PolarHBondContact O-N 3.33Å; G35-G37 PolarHBondContact O-N 3.13Å; G35-V38 VanDerWaalsContact O-CB 3.26Å; G35-V38 WeakPolarHBondContact O-CB 3.42Å; G35-V38 PolarHBondContact O-N 3.13Å; G35-V38 VanDerWaalsContact O-N 3.08Å; G35-G288 VanDerWaalsContact C-C 3.47Å; G35-A289 VanDerWaalsContact O-CA 3.24Å; G35-A289 WeakPolarHBondContact O-CA 3.23Å; G35-A289 PolarHBondContact O-N 2.96Å; G35-S464 PolarHBondContact N-OG 3.14Å |
| 36 | R | 97.8 | Very high | 97.5 | Very high | 63 Ų | 63 | 34.4 Ų | 34.4 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 141 | 176.3 | 65.9 | -175.4 | 67 | 175.2 | 11.4 | 112.1 | E32 D34 V38 G288 S464 | E32-R36 WeakPolarHBondContact O-CD 3.37Å; E32-R36 WeakPolarHBondContact O-CG 3.41Å; E32-R36 PolarHBondContact O-NE 3.34Å; E32-R36 VanDerWaalsContact O-NE 3.16Å; E32-R36 IonicContact OE1-CZ 3.87Å; E32-R36 IonicContact OE1-NH1 2.97Å; E32-R36 IonicContact OE1-NH2 3.2Å; E32-R36 PolarHBondContact OE1-NH2 3.16Å; E32-R36 IonicContact OE2-CZ 3.21Å; E32-R36 IonicContact OE2-NH1 3.86Å; E32-R36 PolarHBondContact OE2-NH1 3.14Å; E32-R36 IonicContact OE2-NH2 3.34Å; D34-R36 WeakPolarHBondContact OD1-CB 3.18Å; D34-R36 WeakPolarHBondContact OD1-CG 3.36Å; D34-R36 IonicContact OD1-CZ 3.36Å; D34-R36 PolarHBondContact OD1-N 3.42Å; D34-R36 VanDerWaalsContact OD1-N 3.17Å; D34-R36 IonicContact OD1-NE 2.62Å; D34-R36 PolarHBondContact OD1-NE 3.23Å; D34-R36 IonicContact OD1-NH2 3.42Å; D34-R36 IonicContact OD2-CZ 3.45Å; D34-R36 IonicContact OD2-NE 2.66Å; D34-R36 IonicContact OD2-NH2 3.52Å; D34-R36 PolarHBondContact OD2-NH2 3.28Å; R36-V38 PolarHBondContact O-N 2.89Å; R36-G288 WeakPolarHBondContact CA-O 3.4Å; R36-S464 PolarHBondContact N-OG 3.06Å; R36-S464 PolarHBondContact O-OG 3.38Å |
| 37 | G | 97 | Very high | 97.5 | Very high | 47 Ų | 47 | 34.5 Ų | 34.5 | 49% | 0.485 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 7.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G35 K467 | G35-G37 PolarHBondContact O-N 3.13Å; G37-K467 WeakPolarHBondContact O-CD 3.23Å; G37-K467 PolarHBondContact O-NZ 2.94Å |
| 38 | V | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | trans | -111.4 | 133.1 | 175.3 | -175 | 0 | 0 | 0 | 0 | 110.2 | G35 R36 I40 Q290 D323 L324 A460 L463 | G35-V38 VanDerWaalsContact O-CB 3.26Å; G35-V38 WeakPolarHBondContact O-CB 3.42Å; G35-V38 PolarHBondContact O-N 3.13Å; G35-V38 VanDerWaalsContact O-N 3.08Å; R36-V38 PolarHBondContact O-N 2.89Å; V38-I40 HydrophobicContact CG1-CG1 4.46Å; V38-Q290 PolarHBondContact O-N 2.99Å; V38-D323 WeakPolarHBondContact CA-OD2 3.3Å; V38-D323 HydrophobicContact CG1-CB 3.91Å; V38-L324 HydrophobicContact CG1-CD1 3.84Å; V38-A460 HydrophobicContact CB-CB 4.4Å; V38-A460 HydrophobicContact CG1-CB 3.93Å; V38-L463 HydrophobicContact CG1-CD1 4.27Å; V38-L463 HydrophobicContact CG2-CB 3.82Å | ||
| 39 | L | 98.8 | Very high | 97.6 | Very high | 23 Ų | 23 | 28.3 Ų | 28.3 | 12% | 0.12 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.5 | 174.6 | 177.8 | 59.8 | 0 | 0 | 0 | 110.7 | I65 Q290 L292 H320 C322 D323 L324 | L39-I65 HydrophobicContact CD1-CD1 3.46Å; L39-I65 VanDerWaalsContact CD1-CD1 3.46Å; L39-I65 HydrophobicContact CD1-CG1 3.79Å; L39-I65 HydrophobicContact CD2-CD1 3.54Å; L39-I65 HydrophobicContact CG-CD1 4.16Å; L39-Q290 HydrophobicContact CD1-CB 4.12Å; L39-L292 HydrophobicContact CD1-CB 4.2Å; L39-H320 HydrophobicContact CD2-CB 4.26Å; L39-C322 HydrophobicContact CD2-CB 4.48Å; L39-C322 HydrophobicContact CG-CB 4.44Å; L39-D323 PolarHBondContact N-OD2 3.18Å; L39-D323 PolarHBondContact O-N 3.34Å; L39-D323 VanDerWaalsContact O-N 3.09Å; L39-L324 PolarHBondContact O-N 3.15Å |
| 40 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.9 | 178.1 | -52.9 | 175.5 | 0 | 0 | 0 | 109.3 | V38 V42 A272 A273 A289 Q290 I291 L292 L324 A460 | V38-I40 HydrophobicContact CG1-CG1 4.46Å; I40-V42 HydrophobicContact CG2-CG2 4.25Å; I40-A272 HydrophobicContact CD1-CB 4.4Å; I40-A273 HydrophobicContact CD1-CB 4.35Å; I40-A289 HydrophobicContact CD1-CB 3.8Å; I40-A289 HydrophobicContact CG1-CB 4.2Å; I40-Q290 PolarHBondContact N-O 3.5Å; I40-I291 CarbonylContact O-C 3.56Å; I40-I291 VanDerWaalsContact O-CA 3.31Å; I40-I291 WeakPolarHBondContact O-CA 3.45Å; I40-L292 PolarHBondContact O-N 3.47Å; I40-L324 CarbonylContact C-O 3.42Å; I40-L324 WeakPolarHBondContact CA-O 3.47Å; I40-L324 HydrophobicContact CG1-CB 4.25Å; I40-L324 HydrophobicContact CG1-CD1 4.28Å; I40-L324 HydrophobicContact CG2-CB 4.39Å; I40-A460 HydrophobicContact CD1-CB 3.9Å; I40-A460 HydrophobicContact CG1-CB 4.42Å |
| 41 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 121.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L43 L292 I294 V317 C322 L324 V325 N326 | A41-L43 HydrophobicContact CB-CD1 3.89Å; A41-L292 CarbonylContact C-O 3.58Å; A41-L292 WeakPolarHBondContact CA-O 3.49Å; A41-L292 HydrophobicContact CB-CB 4.37Å; A41-L292 HydrophobicContact CB-CD2 4.36Å; A41-I294 HydrophobicContact CB-CD1 4.42Å; A41-V317 HydrophobicContact CB-CG2 3.72Å; A41-C322 HydrophobicContact CB-CB 4.18Å; A41-L324 PolarHBondContact N-O 3.36Å; A41-V325 HydrophobicContact CB-CG2 4.09Å; A41-V325 CarbonylContact O-C 3.33Å; A41-V325 WeakPolarHBondContact O-CA 3.47Å; A41-N326 PolarHBondContact O-N 3.39Å |
| 42 | V | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 103.6 | 175.4 | 178 | 0 | 0 | 0 | 0 | 107.8 | I40 D44 V47 V268 A269 I291 L292 I294 | I40-V42 HydrophobicContact CG2-CG2 4.25Å; V42-D44 HydrophobicContact CG1-CB 4.1Å; V42-V47 HydrophobicContact CB-CG2 4.42Å; V42-V47 HydrophobicContact CG1-CG2 4.22Å; V42-V268 HydrophobicContact CG1-CG1 3.93Å; V42-A269 HydrophobicContact CG1-CB 4.47Å; V42-A269 HydrophobicContact CG2-CB 4.29Å; V42-I291 HydrophobicContact CB-CG2 4.32Å; V42-I291 HydrophobicContact CG2-CG2 3.84Å; V42-L292 PolarHBondContact N-O 2.87Å; V42-I294 PolarHBondContact O-N 2.72Å |
| 43 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 102.4 | 175.9 | -86.2 | 65.2 | 0 | 0 | 0 | 108.7 | A41 I294 I296 A313 M314 V317 V325 N326 Y327 | A41-L43 HydrophobicContact CB-CD1 3.89Å; L43-I294 WeakPolarHBondContact CA-O 3.46Å; L43-I294 HydrophobicContact CD1-CB 4.03Å; L43-I294 HydrophobicContact CD1-CD1 3.82Å; L43-I294 HydrophobicContact CD1-CG1 4.21Å; L43-I294 HydrophobicContact CG-CB 4.19Å; L43-I294 HydrophobicContact CG-CG2 4.44Å; L43-I296 HydrophobicContact CB-CD1 4.09Å; L43-I296 HydrophobicContact CB-CG2 4.24Å; L43-I296 HydrophobicContact CD2-CG2 4.4Å; L43-I296 HydrophobicContact CG-CG2 4.08Å; L43-A313 HydrophobicContact CD2-CB 3.68Å; L43-A313 HydrophobicContact CG-CB 3.97Å; L43-M314 HydrophobicContact CD2-CE 3.37Å; L43-V317 HydrophobicContact CD1-CG2 4.14Å; L43-V325 HydrophobicContact CD1-CG1 3.98Å; L43-V325 HydrophobicContact CD2-CG1 4.24Å; L43-N326 PolarHBondContact N-O 3.24Å; L43-Y327 HydrophobicContact CB-CD2 3.8Å; L43-Y327 HydrophobicContact CB-CE2 4.45Å; L43-Y327 HydrophobicContact CD2-CD2 4.06Å |
| 44 | D | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | -156.5 | -173.9 | -150.8 | -78.6 | 0 | 0 | 0 | 112 | V42 G46 H264 G265 I294 K295 I296 G297 Y329 | V42-D44 HydrophobicContact CG1-CB 4.1Å; D44-G46 PolarHBondContact O-N 2.95Å; D44-H264 IonicContact OD1-CE1 3.44Å; D44-H264 IonicContact OD1-CG 3.39Å; D44-H264 IonicContact OD1-ND1 2.8Å; D44-H264 PolarHBondContact OD1-ND1 2.58Å; D44-H264 IonicContact OD2-CE1 3.51Å; D44-H264 PolarHBondContact OD2-CE1 2.79Å; D44-H264 IonicContact OD2-ND1 2.91Å; D44-H264 PolarHBondContact OD2-ND1 3Å; D44-G265 WeakPolarHBondContact OD1-CA 3.31Å; D44-G265 PolarHBondContact OD1-N 2.78Å; D44-I294 PolarHBondContact N-O 3.05Å; D44-K295 CarbonylContact O-C 3.47Å; D44-K295 VanDerWaalsContact O-CA 3.27Å; D44-K295 WeakPolarHBondContact O-CA 3.24Å; D44-I296 WeakPolarHBondContact O-CG1 3.06Å; D44-I296 PolarHBondContact O-N 3.03Å; D44-G297 PolarHBondContact O-N 3Å; D44-Y329 HydrophobicContact CB-CE2 4.42Å |
| 45 | T | 96.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -66.5 | -0.2 | 169.4 | 49.3 | 0 | 0 | 0 | 0 | 114.4 | S260 G261 H264 G265 T303 Y329 | T45-S260 CarbonylContact O-C 3.59Å; T45-G261 PolarHBondContact O-N 2.86Å; T45-H264 HydrophobicContact CG2-CB 4.4Å; T45-G265 PolarHBondContact OG1-N 2.87Å; T45-T303 HydrophobicContact CG2-CG2 4.24Å; T45-Y329 HydrophobicContact CG2-CE2 4.29Å; T45-Y329 WeakPolarHBondContact CG2-OH 3.28Å |
| 46 | G | 96.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | trans | 94.7 | 152.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D44 | D44-G46 PolarHBondContact O-N 2.95Š| ||
| 47 | V | 97.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.024 | 9% | 0.094 | C | C | . | . | trans | -105.7 | 133.4 | -178.3 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | V42 P49 M54 I64 A269 S293 | V42-V47 HydrophobicContact CB-CG2 4.42Å; V42-V47 HydrophobicContact CG1-CG2 4.22Å; V47-P49 WeakPolarHBondContact O-CD 3.45Å; V47-M54 HydrophobicContact CG1-CG 4.21Å; V47-M54 HydrophobicContact CG1-SD 3.78Å; V47-I64 HydrophobicContact CB-CD1 4.25Å; V47-I64 HydrophobicContact CG1-CD1 3.63Å; V47-A269 HydrophobicContact CB-CB 4.46Å; V47-A269 HydrophobicContact CG1-CB 3.85Å; V47-A269 HydrophobicContact CG2-CB 3.68Å; V47-S293 WeakPolarHBondContact CB-OG 2.92Å; V47-S293 PolarHBondContact N-OG 3.47Å | ||
| 48 | D | 97.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | trans | -82 | 113.5 | 174.3 | 180 | -2.6 | 0 | 0 | 0 | 110.3 | G50 A51 N243 T266 P435 N436 | D48-G50 PolarHBondContact O-N 2.89Å; D48-G50 PolarHBondContact OD1-N 2.88Å; D48-A51 HydrophobicContact CB-CB 4.07Å; D48-A51 WeakPolarHBondContact O-CB 3.4Å; D48-A51 PolarHBondContact O-N 3.16Å; D48-N243 VanDerWaalsContact OD1-CB 3.29Å; D48-N243 WeakPolarHBondContact OD1-CB 3.29Å; D48-N243 PolarHBondContact OD1-ND2 3.12Å; D48-N243 PolarHBondContact OD2-ND2 3.43Å; D48-T266 HydrophobicContact CB-CG2 4.32Å; D48-T266 PolarHBondContact N-OG1 3.38Å; D48-P435 HydrophobicContact CB-CB 3.79Å; D48-P435 HydrophobicContact CB-CG 4.02Å; D48-P435 WeakPolarHBondContact OD2-CA 3.36Å; D48-P435 WeakPolarHBondContact OD2-CB 3.19Å; D48-N436 PolarHBondContact OD2-N 3.37Å | ||
| 49 | P | 96.9 | Very high | 97.4 | Very high | 9 Ų | 9 | 17.1 Ų | 17.1 | 6% | 0.058 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.6 | 179.5 | 28 | -34.3 | 0 | 0 | 0 | 113.6 | V47 Q55 I64 I67 Y227 Y233 | V47-P49 WeakPolarHBondContact O-CD 3.45Å; P49-Q55 PolarHBondContact O-NE2 3.24Å; P49-I64 HydrophobicContact CB-CD1 4.14Å; P49-I67 HydrophobicContact CB-CD1 3.88Å; P49-I67 HydrophobicContact CG-CD1 3.72Å; P49-Y227 HydrophobicContact CB-CE2 4.41Å; P49-Y233 HydrophobicContact CB-CD1 3.81Å; P49-Y233 HydrophobicContact CB-CE1 4.05Å; P49-Y233 HydrophobicContact CB-CG 4.11Å; P49-Y233 HydrophobicContact CG-CD1 3.82Å; P49-Y233 HydrophobicContact CG-CD2 3.93Å; P49-Y233 HydrophobicContact CG-CE1 4.36Å; P49-Y233 HydrophobicContact CG-CE2 4.47Å; P49-Y233 HydrophobicContact CG-CG 3.57Å |
| 50 | G | 96.2 | Very high | 97.3 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 12% | 0.124 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -0.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D48 N243 N436 | D48-G50 PolarHBondContact O-N 2.89Å; D48-G50 PolarHBondContact OD1-N 2.88Å; G50-N243 WeakPolarHBondContact CA-ND2 3.42Å; G50-N436 PolarHBondContact O-ND2 3.4Å |
| 51 | A | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -73.8 | 141.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D48 G53 M54 Q55 T266 | D48-A51 HydrophobicContact CB-CB 4.07Å; D48-A51 WeakPolarHBondContact O-CB 3.4Å; D48-A51 PolarHBondContact O-N 3.16Å; A51-G53 PolarHBondContact O-N 2.51Å; A51-M54 HydrophobicContact CB-CG 4.27Å; A51-M54 WeakPolarHBondContact O-CB 3.42Å; A51-M54 PolarHBondContact O-N 3.32Å; A51-Q55 PolarHBondContact O-NE2 2.93Å; A51-Q55 PolarHBondContact O-OE1 3.28Å; A51-T266 HydrophobicContact CB-CG2 3.45Å; A51-T266 VanDerWaalsContact CB-CG2 3.45Å |
| 52 | P | 95.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 25.3 Ų | 25.3 | 29% | 0.286 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 131.9 | 179.1 | -27.8 | 36 | 0 | 0 | 0 | 112.8 | F276 S433 | P52-F276 HydrophobicContact CB-CE1 3.83Å; P52-F276 WeakPolarHBondContact O-CE1 3.28Å; P52-F276 VanDerWaalsContact O-CZ 3.32Å; P52-F276 WeakPolarHBondContact O-CZ 3.43Å; P52-S433 WeakPolarHBondContact O-CB 3.42Å; P52-S433 PolarHBondContact O-OG 3.39Å |
| 53 | G | 95.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -4.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A51 H275 | A51-G53 PolarHBondContact O-N 2.51Å; G53-H275 VanDerWaalsContact CA-O 3.26Å; G53-H275 WeakPolarHBondContact CA-O 3.29Å; G53-H275 PolarHBondContact O-N 3.02Å |
| 54 | M | 97.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | trans | -98.6 | 14.1 | -179.8 | -64.7 | -65.5 | 104.4 | 0 | 0 | 113.7 | V47 A51 K63 I64 A269 G274 I291 | V47-M54 HydrophobicContact CG1-CG 4.21Å; V47-M54 HydrophobicContact CG1-SD 3.78Å; A51-M54 HydrophobicContact CB-CG 4.27Å; A51-M54 WeakPolarHBondContact O-CB 3.42Å; A51-M54 PolarHBondContact O-N 3.32Å; M54-K63 WeakPolarHBondContact O-CB 3.21Å; M54-I64 HydrophobicContact CB-CD1 4.16Å; M54-A269 HydrophobicContact SD-CB 3.97Å; M54-G274 VanDerWaalsContact CE-CA 3.49Å; M54-I291 HydrophobicContact CE-CD1 4.44Å; M54-I291 HydrophobicContact SD-CD1 4.1Å | ||
| 55 | Q | 97 | Very high | 97.1 | Very high | 83 Ų | 83 | 27 Ų | 27 | 39% | 0.388 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -89.6 | -61.2 | -173.1 | -71.1 | 64.8 | 58.9 | 0 | 0 | 112 | P49 A51 K63 | P49-Q55 PolarHBondContact O-NE2 3.24Å; A51-Q55 PolarHBondContact O-NE2 2.93Å; A51-Q55 PolarHBondContact O-OE1 3.28Å; Q55-K63 PolarHBondContact O-N 2.73Å |
| 56 | V | 97.9 | Very high | 97.2 | Very high | 58 Ų | 58 | 27.1 Ų | 27.1 | 35% | 0.352 | 17% | 0.165 | S | C | . | . | B | Isolated β-bridge | trans | -135.4 | 153 | -172.8 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | K61 K63 H275 | V56-K61 CarbonylContact C-O 3.59Å; V56-K61 WeakPolarHBondContact CA-O 3.21Å; V56-K63 WeakPolarHBondContact O-CE 3.31Å; V56-H275 WeakPolarHBondContact O-CB 3.41Å; V56-H275 PolarHBondContact O-ND1 2.84Å |
| 57 | T | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | trans | -76.5 | 172.2 | 168.4 | 58 | 0 | 0 | 0 | 0 | 111.6 | D59 G60 K61 K63 H275 Q290 | T57-D59 VanDerWaalsContact CB-OD1 3.31Å; T57-D59 WeakPolarHBondContact CB-OD1 3.45Å; T57-D59 PolarHBondContact O-N 2.87Å; T57-D59 PolarHBondContact OG1-OD1 2.87Å; T57-G60 PolarHBondContact O-N 2.92Å; T57-G60 VanDerWaalsContact O-N 3.09Å; T57-G60 PolarHBondContact OG1-N 2.61Å; T57-K61 HydrophobicContact CG2-CB 4.38Å; T57-K61 PolarHBondContact N-O 3.4Å; T57-K61 WeakPolarHBondContact OG1-CB 3.19Å; T57-K61 PolarHBondContact OG1-N 3.49Å; T57-K61 PolarHBondContact OG1-O 3.01Å; T57-K63 HydrophobicContact CG2-CD 4.48Å; T57-H275 PolarHBondContact O-CE1 3.2Å; T57-H275 PolarHBondContact O-ND1 2.74Å; T57-Q290 HydrophobicContact CG2-CG 3.7Å | ||
| 58 | T | 97.5 | Very high | 97.3 | Very high | 49 Ų | 49 | 27.3 Ų | 27.3 | 30% | 0.301 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27 | 173.6 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | D34 P287 G288 | D34-T58 VanDerWaalsContact OD2-CB 3.3Å; D34-T58 WeakPolarHBondContact OD2-CB 3.27Å; D34-T58 PolarHBondContact OD2-OG1 3.3Å; T58-P287 HydrophobicContact CG2-CB 3.88Å; T58-P287 HydrophobicContact CG2-CG 4Å; T58-P287 PolarHBondContact N-O 3.23Å; T58-G288 WeakPolarHBondContact OG1-CA 3.3Å |
| 59 | D | 95.9 | Very high | 97.3 | Very high | 60 Ų | 60 | 27.3 Ų | 27.3 | 32% | 0.321 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 14 | 175.3 | 71 | -23.7 | 0 | 0 | 0 | 113.7 | T57 K61 | T57-D59 VanDerWaalsContact CB-OD1 3.31Å; T57-D59 WeakPolarHBondContact CB-OD1 3.45Å; T57-D59 PolarHBondContact O-N 2.87Å; T57-D59 PolarHBondContact OG1-OD1 2.87Å; D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 2.89Å; D59-K61 WeakPolarHBondContact OD2-CD 3.25Å; D59-K61 VanDerWaalsContact OD2-CE 3.23Å; D59-K61 WeakPolarHBondContact OD2-CE 3.28Å; D59-K61 IonicContact OD2-NZ 2.63Å; D59-K61 PolarHBondContact OD2-NZ 2.97Å |
| 60 | G | 96.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 27 Ų | 27 | 60% | 0.598 | 16% | 0.163 | S | C | * | . | S | Bend | trans | 78.3 | 8.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T57 | T57-G60 PolarHBondContact O-N 2.92Å; T57-G60 VanDerWaalsContact O-N 3.09Å; T57-G60 PolarHBondContact OG1-N 2.61Å |
| 61 | K | 97.2 | Very high | 97.3 | Very high | 87 Ų | 87 | 26.6 Ų | 26.6 | 38% | 0.378 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -78.2 | 157.8 | 173.7 | -65.8 | 173.1 | -179.6 | 144.2 | 0 | 110.9 | V56 T57 D59 K63 | V56-K61 CarbonylContact C-O 3.59Å; V56-K61 WeakPolarHBondContact CA-O 3.21Å; T57-K61 HydrophobicContact CG2-CB 4.38Å; T57-K61 PolarHBondContact N-O 3.4Å; T57-K61 WeakPolarHBondContact OG1-CB 3.19Å; T57-K61 PolarHBondContact OG1-N 3.49Å; T57-K61 PolarHBondContact OG1-O 3.01Å; D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 2.89Å; D59-K61 WeakPolarHBondContact OD2-CD 3.25Å; D59-K61 VanDerWaalsContact OD2-CE 3.23Å; D59-K61 WeakPolarHBondContact OD2-CE 3.28Å; D59-K61 IonicContact OD2-NZ 2.63Å; D59-K61 PolarHBondContact OD2-NZ 2.97Å; K61-K63 PolarHBondContact O-N 3.33Å |
| 62 | P | 97.3 | Very high | 97.2 | Very high | 49 Ų | 49 | 26.9 Ų | 26.9 | 32% | 0.318 | 16% | 0.161 | S | C | . | . | B | Isolated β-bridge | trans | -54.6 | 128.4 | 168.7 | -23.4 | 33.3 | 0 | 0 | 0 | 110.7 | Q231 Q290 | P62-Q231 HydrophobicContact CB-CG 4.19Å; P62-Q290 PolarHBondContact O-NE2 2.9Å |
| 63 | K | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -66.4 | -45.2 | -179.9 | 175 | 57.7 | 56.8 | 172.6 | 0 | 111.2 | M54 Q55 V56 T57 K61 A273 P287 A289 Q290 I291 | M54-K63 WeakPolarHBondContact O-CB 3.21Å; Q55-K63 PolarHBondContact O-N 2.73Å; V56-K63 WeakPolarHBondContact O-CE 3.31Å; T57-K63 HydrophobicContact CG2-CD 4.48Å; K61-K63 PolarHBondContact O-N 3.33Å; K63-A273 VanDerWaalsContact CE-O 3.29Å; K63-A273 WeakPolarHBondContact CE-O 3.3Å; K63-A273 PolarHBondContact NZ-O 2.84Å; K63-P287 PolarHBondContact NZ-O 2.86Å; K63-A289 WeakPolarHBondContact CD-O 3.48Å; K63-A289 PolarHBondContact NZ-O 3.21Å; K63-Q290 CarbonylContact O-C 3.51Å; K63-Q290 WeakPolarHBondContact O-CA 3.36Å; K63-I291 HydrophobicContact CD-CD1 4.06Å; K63-I291 HydrophobicContact CD-CG1 4.13Å; K63-I291 HydrophobicContact CG-CD1 4.3Å; K63-I291 PolarHBondContact O-N 3.49Å |
| 64 | I | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.2 | 176.5 | -54.8 | 177.9 | 0 | 0 | 0 | 108.1 | V47 P49 M54 D66 I67 Y227 I291 | V47-I64 HydrophobicContact CB-CD1 4.25Å; V47-I64 HydrophobicContact CG1-CD1 3.63Å; P49-I64 HydrophobicContact CB-CD1 4.14Å; M54-I64 HydrophobicContact CB-CD1 4.16Å; I64-D66 VanDerWaalsContact CG2-O 3.29Å; I64-D66 WeakPolarHBondContact CG2-O 3.44Å; I64-I67 HydrophobicContact CD1-CD1 4.47Å; I64-I67 HydrophobicContact CG2-CD1 4.07Å; I64-I67 HydrophobicContact CG2-CG1 3.53Å; I64-Y227 HydrophobicContact CB-CE1 4.46Å; I64-Y227 HydrophobicContact CG2-CE1 4.02Å; I64-I291 CarbonylContact C-O 3.56Å; I64-I291 WeakPolarHBondContact CA-O 3.43Å; I64-I291 HydrophobicContact CG1-CB 4.45Å |
| 65 | I | 98.1 | Very high | 97 | Very high | 35 Ų | 35 | 26 Ų | 26 | 18% | 0.179 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -27.7 | -179.2 | 62 | 157.1 | 0 | 0 | 0 | 112.6 | L39 Q290 I291 L292 | L39-I65 HydrophobicContact CD1-CD1 3.46Å; L39-I65 VanDerWaalsContact CD1-CD1 3.46Å; L39-I65 HydrophobicContact CD1-CG1 3.79Å; L39-I65 HydrophobicContact CD2-CD1 3.54Å; L39-I65 HydrophobicContact CG-CD1 4.16Å; I65-Q290 HydrophobicContact CG2-CB 3.97Å; I65-Q290 HydrophobicContact CG2-CG 4.3Å; I65-I291 WeakPolarHBondContact CG1-O 3.39Å; I65-I291 PolarHBondContact N-O 2.74Å; I65-L292 HydrophobicContact CG1-CB 4.45Å |
| 66 | D | 98.4 | Very high | 97 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 154 | 178.6 | -148.7 | -9.8 | 0 | 0 | 0 | 111.7 | I64 K228 L292 S293 H320 | I64-D66 VanDerWaalsContact CG2-O 3.29Å; I64-D66 WeakPolarHBondContact CG2-O 3.44Å; D66-K228 PolarHBondContact OD1-N 2.95Å; D66-K228 WeakPolarHBondContact OD2-CB 3.23Å; D66-K228 WeakPolarHBondContact OD2-CD 3.36Å; D66-K228 WeakPolarHBondContact OD2-CG 3.41Å; D66-L292 HydrophobicContact CB-CD1 3.5Å; D66-S293 PolarHBondContact O-N 3.19Å; D66-H320 IonicContact OD2-CE1 3.52Å; D66-H320 PolarHBondContact OD2-CE1 3.17Å; D66-H320 VanDerWaalsContact OD2-CE1 3.31Å; D66-H320 IonicContact OD2-NE2 2.89Å |
| 67 | I | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 114.6 | -179.9 | -59.4 | -178.4 | 0 | 0 | 0 | 108.7 | P49 I64 Y227 N247 V258 S293 | P49-I67 HydrophobicContact CB-CD1 3.88Å; P49-I67 HydrophobicContact CG-CD1 3.72Å; I64-I67 HydrophobicContact CD1-CD1 4.47Å; I64-I67 HydrophobicContact CG2-CD1 4.07Å; I64-I67 HydrophobicContact CG2-CG1 3.53Å; I67-Y227 HydrophobicContact CB-CD1 4.31Å; I67-Y227 HydrophobicContact CB-CG 4.26Å; I67-Y227 HydrophobicContact CD1-CD1 4.4Å; I67-Y227 HydrophobicContact CD1-CD2 4Å; I67-Y227 HydrophobicContact CD1-CE1 3.97Å; I67-Y227 HydrophobicContact CD1-CE2 3.54Å; I67-Y227 HydrophobicContact CD1-CG 4.38Å; I67-Y227 VanDerWaalsContact CD1-CZ 3.5Å; I67-Y227 HydrophobicContact CG1-CD1 3.96Å; I67-Y227 HydrophobicContact CG1-CD2 4.32Å; I67-Y227 HydrophobicContact CG1-CE1 3.76Å; I67-Y227 HydrophobicContact CG1-CE2 4.16Å; I67-Y227 HydrophobicContact CG1-CG 4.2Å; I67-N247 PolarHBondContact O-ND2 3.29Å; I67-V258 HydrophobicContact CG2-CB 4.05Å; I67-V258 HydrophobicContact CG2-CG1 3.49Å; I67-V258 VanDerWaalsContact CG2-CG1 3.49Å; I67-S293 WeakPolarHBondContact CA-O 3.32Å |
| 68 | I | 98.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.4 | -169.4 | -49.1 | 177 | 0 | 0 | 0 | 110.2 | T70 L292 S293 K295 E316 | I68-T70 HydrophobicContact CG2-CG2 4.04Å; I68-L292 HydrophobicContact CD1-CD1 4.01Å; I68-L292 HydrophobicContact CG1-CD1 4.5Å; I68-S293 PolarHBondContact N-O 3.47Å; I68-K295 PolarHBondContact O-N 3.44Å; I68-E316 HydrophobicContact CD1-CB 4.05Å; I68-E316 HydrophobicContact CD1-CG 3.7Å; I68-E316 HydrophobicContact CG2-CG 4.37Å |
| 69 | D | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 107.1 | 165.9 | -173.9 | -9.4 | 0 | 0 | 0 | 109.7 | T71 G72 S73 G74 V258 K295 | D69-T71 WeakPolarHBondContact OD1-CA 3.32Å; D69-T71 VanDerWaalsContact OD1-CB 3.31Å; D69-T71 WeakPolarHBondContact OD1-CB 3.31Å; D69-T71 PolarHBondContact OD1-N 2.8Å; D69-T71 PolarHBondContact OD1-OG1 3Å; D69-T71 PolarHBondContact OD2-OG1 3.31Å; D69-G72 PolarHBondContact OD1-N 2.87Å; D69-S73 PolarHBondContact OD2-OG 2.79Å; D69-S73 VanDerWaalsContact OD2-OG 3.13Å; D69-G74 PolarHBondContact OD2-N 3.15Å; D69-V258 HydrophobicContact CB-CB 4.42Å; D69-V258 HydrophobicContact CB-CG1 3.96Å; D69-V258 HydrophobicContact CB-CG2 3.93Å; D69-K295 HydrophobicContact CB-CD 4.35Å; D69-K295 IonicContact OD2-NZ 3.56Å; D69-K295 PolarHBondContact OD2-NZ 2.77Å |
| 70 | T | 97.3 | Very high | 97 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -87.7 | -13.6 | 180 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | I68 G72 I294 K295 G309 R312 A313 | I68-T70 HydrophobicContact CG2-CG2 4.04Å; T70-G72 VanDerWaalsContact C-N 3.33Å; T70-G72 PolarHBondContact O-N 3.44Å; T70-I294 HydrophobicContact CG2-CG2 3.46Å; T70-I294 VanDerWaalsContact CG2-CG2 3.46Å; T70-K295 PolarHBondContact N-O 3.5Å; T70-K295 PolarHBondContact OG1-O 2.92Å; T70-G309 VanDerWaalsContact CB-O 3.3Å; T70-G309 WeakPolarHBondContact CB-O 3.09Å; T70-G309 PolarHBondContact OG1-O 3.06Å; T70-R312 HydrophobicContact CG2-CB 3.84Å; T70-R312 WeakPolarHBondContact O-CD 3.49Å; T70-R312 PolarHBondContact O-NH1 3.37Å; T70-A313 HydrophobicContact CG2-CB 4.37Å |
| 71 | T | 95.4 | Very high | 97 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -73.5 | -27.4 | -179.6 | 73.7 | 0 | 0 | 0 | 0 | 112.6 | D69 S73 I296 D298 R300 | D69-T71 WeakPolarHBondContact OD1-CA 3.32Å; D69-T71 VanDerWaalsContact OD1-CB 3.31Å; D69-T71 WeakPolarHBondContact OD1-CB 3.31Å; D69-T71 PolarHBondContact OD1-N 2.8Å; D69-T71 PolarHBondContact OD1-OG1 3Å; D69-T71 PolarHBondContact OD2-OG1 3.31Å; T71-S73 PolarHBondContact O-N 3.14Å; T71-S73 WeakPolarHBondContact OG1-CB 3.26Å; T71-S73 PolarHBondContact OG1-N 3.4Å; T71-S73 PolarHBondContact OG1-OG 3.23Å; T71-I296 WeakPolarHBondContact CG2-O 3.33Å; T71-D298 HydrophobicContact CG2-CB 4.07Å; T71-R300 PolarHBondContact O-NH2 2.78Å |
| 72 | G | 94.1 | Very high | 97 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 74.9 | 8.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | D69 T70 G74 D75 | D69-G72 PolarHBondContact OD1-N 2.87Å; T70-G72 VanDerWaalsContact C-N 3.33Å; T70-G72 PolarHBondContact O-N 3.44Å; G72-G74 VanDerWaalsContact C-N 3.26Å; G72-G74 PolarHBondContact O-N 3.31Å; G72-D75 VanDerWaalsContact CA-CG 3.49Å; G72-D75 VanDerWaalsContact CA-OD2 3.28Å; G72-D75 WeakPolarHBondContact CA-OD2 3.46Å; G72-D75 VanDerWaalsContact O-CB 3.27Å; G72-D75 WeakPolarHBondContact O-CB 3.45Å; G72-D75 PolarHBondContact O-N 2.89Å; G72-D75 VanDerWaalsContact O-N 3.16Å |
| 73 | S | 93.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -32.4 | 174.5 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | D69 T71 D75 K115 K295 D298 | D69-S73 PolarHBondContact OD2-OG 2.79Å; D69-S73 VanDerWaalsContact OD2-OG 3.13Å; T71-S73 PolarHBondContact O-N 3.14Å; T71-S73 WeakPolarHBondContact OG1-CB 3.26Å; T71-S73 PolarHBondContact OG1-N 3.4Å; T71-S73 PolarHBondContact OG1-OG 3.23Å; S73-D75 VanDerWaalsContact C-N 3.29Å; S73-D75 PolarHBondContact O-N 3.33Å; S73-K115 WeakPolarHBondContact O-CE 3.39Å; S73-K115 PolarHBondContact O-NZ 3.04Å; S73-K295 PolarHBondContact OG-NZ 2.83Å; S73-D298 WeakPolarHBondContact CB-OD1 3.24Å |
| 74 | G | 95.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D69 G72 I257 | D69-G74 PolarHBondContact OD2-N 3.15Å; G72-G74 VanDerWaalsContact C-N 3.26Å; G72-G74 PolarHBondContact O-N 3.31Å; G74-I257 VanDerWaalsContact CA-O 3.26Å; G74-I257 WeakPolarHBondContact CA-O 3.48Å; G74-I257 PolarHBondContact O-N 3.43Å |
| 75 | D | 96.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 38.6 Ų | 38.6 | 17% | 0.166 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 140.9 | -173.6 | -70.4 | -10.7 | 0 | 0 | 0 | 112.8 | G72 S73 K115 L254 L255 S256 R810 | G72-D75 VanDerWaalsContact CA-CG 3.49Å; G72-D75 VanDerWaalsContact CA-OD2 3.28Å; G72-D75 WeakPolarHBondContact CA-OD2 3.46Å; G72-D75 VanDerWaalsContact O-CB 3.27Å; G72-D75 WeakPolarHBondContact O-CB 3.45Å; G72-D75 PolarHBondContact O-N 2.89Å; G72-D75 VanDerWaalsContact O-N 3.16Å; S73-D75 VanDerWaalsContact C-N 3.29Å; S73-D75 PolarHBondContact O-N 3.33Å; D75-K115 PolarHBondContact O-NZ 3.45Å; D75-L254 HydrophobicContact CB-CD1 3.88Å; D75-L255 CarbonylContact C-O 3.55Å; D75-L255 WeakPolarHBondContact CA-O 3.28Å; D75-S256 PolarHBondContact OD1-OG 3.04Å; D75-R810 VanDerWaalsContact CG-NH1 3.28Å; D75-R810 IonicContact OD1-CZ 2.71Å; D75-R810 IonicContact OD1-NH1 3.52Å; D75-R810 PolarHBondContact OD1-NH1 3.11Å; D75-R810 IonicContact OD2-CZ 3.78Å; D75-R810 IonicContact OD2-NH1 3.83Å; D75-R810 PolarHBondContact OD2-NH1 3.01Å; D75-R810 IonicContact OD2-NH2 3.71Å; D75-R810 PolarHBondContact OD2-NH2 3.01Å |
| 76 | V | 97.6 | Very high | 96 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 117.2 | 176.2 | -169.8 | 0 | 0 | 0 | 0 | 107.8 | T78 K115 C197 L255 I257 | V76-T78 HydrophobicContact CG1-CG2 4.16Å; V76-T78 PolarHBondContact O-N 3.39Å; V76-K115 HydrophobicContact CG2-CB 3.87Å; V76-K115 HydrophobicContact CG2-CD 4.12Å; V76-K115 HydrophobicContact CG2-CG 4.06Å; V76-C197 HydrophobicContact CG1-CB 4.24Å; V76-L255 HydrophobicContact CB-CB 4.17Å; V76-L255 HydrophobicContact CB-CD2 4.49Å; V76-L255 HydrophobicContact CG2-CD2 4.45Å; V76-L255 PolarHBondContact N-O 3.03Å; V76-L255 PolarHBondContact O-N 2.7Å; V76-L255 VanDerWaalsContact O-N 3.08Å; V76-I257 HydrophobicContact CG2-CD1 3.88Å; V76-I257 HydrophobicContact CG2-CG1 4.13Å |
| 77 | N | 96.4 | Very high | 95.6 | Very high | 115 Ų | 115 | 46.6 Ų | 46.6 | 62% | 0.615 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 116.8 | 172.5 | -177.9 | -2.3 | 0 | 0 | 0 | 109 | A79 G113 | N77-A79 VanDerWaalsContact OD1-CB 3.29Å; N77-A79 WeakPolarHBondContact OD1-CB 3.49Å; N77-A79 PolarHBondContact OD1-N 3.26Å; N77-G113 WeakPolarHBondContact O-CA 3.47Å |
| 78 | T | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -119 | 17.2 | -177.7 | 43.5 | 0 | 0 | 0 | 0 | 111.8 | V76 T80 H111 I112 V199 G252 N253 L254 L255 | V76-T78 HydrophobicContact CG1-CG2 4.16Å; V76-T78 PolarHBondContact O-N 3.39Å; T78-T80 PolarHBondContact O-N 3.32Å; T78-H111 VanDerWaalsContact O-CB 3.27Å; T78-H111 WeakPolarHBondContact O-CB 3.31Å; T78-H111 PolarHBondContact O-ND1 3.29Å; T78-I112 WeakPolarHBondContact CA-O 3.36Å; T78-V199 HydrophobicContact CG2-CG2 4.26Å; T78-G252 PolarHBondContact OG1-O 3.39Å; T78-N253 CarbonylContact C-O 3.46Å; T78-N253 PolarHBondContact N-O 3.32Å; T78-N253 PolarHBondContact OG1-O 2.9Å; T78-N253 VanDerWaalsContact OG1-O 3.07Å; T78-L254 PolarHBondContact OG1-N 3.44Å; T78-L255 HydrophobicContact CG2-CB 3.94Å; T78-L255 PolarHBondContact OG1-N 3.19Å | ||
| 79 | A | 96.6 | Very high | 95.3 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | trans | -66.8 | -1.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N77 N253 | N77-A79 VanDerWaalsContact OD1-CB 3.29Å; N77-A79 WeakPolarHBondContact OD1-CB 3.49Å; N77-A79 PolarHBondContact OD1-N 3.26Å; A79-N253 WeakPolarHBondContact CA-OD1 3.37Å; A79-N253 HydrophobicContact CB-CB 4.12Å; A79-N253 PolarHBondContact N-O 3.4Å | ||
| 80 | T | 97.3 | Very high | 95.2 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.9 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | T78 H111 I112 | T78-T80 PolarHBondContact O-N 3.32Å; T80-H111 CarbonylContact O-C 3.6Å; T80-H111 WeakPolarHBondContact O-CA 3.45Å; T80-I112 HydrophobicContact CG2-CD1 4.27Å; T80-I112 HydrophobicContact CG2-CG1 4.02Å; T80-I112 WeakPolarHBondContact O-CG1 3.38Å; T80-I112 PolarHBondContact O-N 2.9Å |
| 81 | E | 96.9 | Very high | 95.1 | Very high | 93 Ų | 93 | 56.3 Ų | 56.3 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.6 | 175.6 | -67.8 | -178.9 | -178.6 | 0 | 0 | 111.8 | K109 Y110 H111 | E81-K109 WeakPolarHBondContact OE2-CD 3.21Å; E81-K109 IonicContact OE2-NZ 3.72Å; E81-K109 PolarHBondContact OE2-NZ 2.84Å; E81-Y110 CarbonylContact C-O 3.47Å; E81-Y110 WeakPolarHBondContact CA-O 3.48Å; E81-H111 IonicContact OE1-CE1 3.58Å; E81-H111 IonicContact OE1-NE2 2.95Å |
| 82 | V | 96.7 | Very high | 95.1 | Very high | 38 Ų | 38 | 60 Ų | 60 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151 | 174.9 | -64 | 0 | 0 | 0 | 0 | 111.3 | I89 Y110 I112 | V82-I89 HydrophobicContact CG2-CD1 3.94Å; V82-I89 HydrophobicContact CG2-CG1 4.24Å; V82-I89 HydrophobicContact CG2-CG2 3.64Å; V82-Y110 PolarHBondContact N-O 2.84Å; V82-Y110 PolarHBondContact O-N 3.04Å; V82-I112 HydrophobicContact CG1-CD1 3.64Å; V82-I112 HydrophobicContact CG1-CG1 4.18Å; V82-I112 HydrophobicContact CG2-CD1 4.06Å; V82-I112 HydrophobicContact CG2-CG1 4.22Å; V82-I112 HydrophobicContact CG2-CG2 3.58Å |
| 83 | E | 95.8 | Very high | 95.1 | Very high | 128 Ų | 128 | 61.9 Ų | 61.9 | 60% | 0.598 | 34% | 0.339 | S | S | * | . | trans | -106.6 | 133.6 | 173.3 | -67.6 | 176.5 | -173.6 | 0 | 0 | 109.2 | K109 | E83-K109 HydrophobicContact CG-CG 3.9Š| ||
| 84 | P | 93.5 | Very high | 95.1 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 31% | 0.305 | 37% | 0.365 | S | S | . | . | trans | -66.8 | 138.4 | 179 | 28 | -32.4 | 0 | 0 | 0 | 110.6 | E88 I89 I99 G108 Y110 | P84-E88 CarbonylContact C-O 3.57Å; P84-E88 WeakPolarHBondContact CA-O 3.26Å; P84-I89 HydrophobicContact CB-CD1 4.15Å; P84-I89 HydrophobicContact CB-CG1 3.86Å; P84-I99 HydrophobicContact CB-CG1 4.43Å; P84-G108 VanDerWaalsContact CD-O 3.29Å; P84-G108 WeakPolarHBondContact CD-O 3.38Å; P84-Y110 HydrophobicContact CG-CD2 4.42Å; P84-Y110 HydrophobicContact CG-CE2 4.15Å | ||
| 85 | K | 92.5 | Very high | 95.1 | Very high | 168 Ų | 168 | 67.1 Ų | 67.1 | 73% | 0.73 | 38% | 0.375 | S | S | * | . | B | Isolated β-bridge | trans | -109.4 | 121.8 | 171.3 | -65.6 | -178.3 | -177.7 | 177.4 | 0 | 107.9 | G87 E88 | K85-G87 PolarHBondContact O-N 3.07Å; K85-G87 VanDerWaalsContact O-N 3.15Å; K85-E88 PolarHBondContact N-O 3.01Å; K85-E88 PolarHBondContact O-N 2.71Å |
| 86 | D | 89.4 | Confident | 95.1 | Very high | 172 Ų | 172 | 69 Ų | 69 | 92% | 0.92 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 32.4 | -176.8 | -56.3 | -44.5 | 0 | 0 | 0 | 114 | E88 | D86-E88 VanDerWaalsContact C-N 3.34Š|
| 87 | G | 89.9 | Confident | 95 | Very high | 38 Ų | 38 | 68.9 Ų | 68.9 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 9.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K85 I99 | K85-G87 PolarHBondContact O-N 3.07Å; K85-G87 VanDerWaalsContact O-N 3.15Å; G87-I99 WeakPolarHBondContact O-CB 3.4Å; G87-I99 PolarHBondContact O-N 2.94Å |
| 88 | E | 94.9 | Very high | 94.9 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 40% | 0.397 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 146.6 | -178.1 | -60.3 | -172.3 | 156.4 | 0 | 0 | 112.3 | P84 K85 D86 V96 L97 K98 | P84-E88 CarbonylContact C-O 3.57Å; P84-E88 WeakPolarHBondContact CA-O 3.26Å; K85-E88 PolarHBondContact N-O 3.01Å; K85-E88 PolarHBondContact O-N 2.71Å; D86-E88 VanDerWaalsContact C-N 3.34Å; E88-V96 HydrophobicContact CB-CG1 3.94Å; E88-V96 HydrophobicContact CG-CG1 4.15Å; E88-V96 WeakPolarHBondContact OE2-CG1 3.2Å; E88-L97 WeakPolarHBondContact CA-O 3.47Å; E88-K98 HydrophobicContact CG-CG 4.4Å |
| 89 | I | 95.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 70.1 Ų | 70.1 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.3 | 175.1 | -73.1 | 174 | 0 | 0 | 0 | 108.8 | V82 P84 L97 I99 Y110 I112 L198 | V82-I89 HydrophobicContact CG2-CD1 3.94Å; V82-I89 HydrophobicContact CG2-CG1 4.24Å; V82-I89 HydrophobicContact CG2-CG2 3.64Å; P84-I89 HydrophobicContact CB-CD1 4.15Å; P84-I89 HydrophobicContact CB-CG1 3.86Å; I89-L97 HydrophobicContact CB-CB 4.46Å; I89-L97 PolarHBondContact N-O 3.12Å; I89-L97 WeakPolarHBondContact O-CB 3.5Å; I89-L97 PolarHBondContact O-N 3.18Å; I89-I99 HydrophobicContact CD1-CD1 3.9Å; I89-I99 HydrophobicContact CD1-CG1 3.99Å; I89-I99 HydrophobicContact CG1-CD1 4.34Å; I89-I99 HydrophobicContact CG1-CG1 4.21Å; I89-Y110 HydrophobicContact CD1-CD2 3.58Å; I89-Y110 HydrophobicContact CD1-CE2 4.35Å; I89-Y110 HydrophobicContact CD1-CG 3.81Å; I89-I112 HydrophobicContact CG2-CG2 4.22Å; I89-L198 HydrophobicContact CD1-CD2 4.32Å |
| 90 | I | 96.3 | Very high | 94.6 | Very high | 123 Ų | 123 | 68.5 Ų | 68.5 | 63% | 0.631 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 113.4 | 168.8 | -58.6 | 174.9 | 0 | 0 | 0 | 107.8 | ||
| 91 | G | 94.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | trans | -66.5 | 164.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S93 G94 R95 D196 | G91-S93 PolarHBondContact O-N 3Å; G91-G94 WeakPolarHBondContact O-CA 3.36Å; G91-G94 PolarHBondContact O-N 3.25Å; G91-R95 PolarHBondContact N-O 3.07Å; G91-D196 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 92 | L | 95.1 | Very high | 94.1 | Very high | 81 Ų | 81 | 72.3 Ų | 72.3 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.7 | 177.1 | -65.8 | -174.2 | 0 | 0 | 0 | 112.4 | G94 I112 I114 D196 | L92-G94 PolarHBondContact O-N 2.84Å; L92-I112 HydrophobicContact CD2-CD1 3.75Å; L92-I112 HydrophobicContact CD2-CG1 4.3Å; L92-I112 HydrophobicContact CG-CD1 3.96Å; L92-I112 HydrophobicContact CG-CG1 4.22Å; L92-I114 HydrophobicContact CB-CB 3.97Å; L92-I114 HydrophobicContact CB-CD1 4.37Å; L92-I114 HydrophobicContact CB-CG2 4.2Å; L92-I114 HydrophobicContact CD1-CB 4.42Å; L92-I114 HydrophobicContact CD1-CG2 4.22Å; L92-D196 PolarHBondContact N-OD1 2.9Å |
| 93 | S | 93.3 | Very high | 94 | Very high | 45 Ų | 45 | 72.2 Ų | 72.2 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.9 | 168.5 | 72.3 | 0 | 0 | 0 | 0 | 113.6 | G91 R95 D196 | G91-S93 PolarHBondContact O-N 3Å; S93-R95 WeakPolarHBondContact OG-CB 3.25Å; S93-R95 WeakPolarHBondContact OG-CG 3.36Å; S93-R95 PolarHBondContact OG-N 2.94Å; S93-R95 VanDerWaalsContact OG-N 3.14Å; S93-R95 PolarHBondContact OG-NE 2.76Å; S93-D196 WeakPolarHBondContact CB-OD2 3.29Å; S93-D196 PolarHBondContact N-OD1 3.48Å; S93-D196 VanDerWaalsContact OG-CG 3.29Å; S93-D196 PolarHBondContact OG-OD1 2.94Å; S93-D196 PolarHBondContact OG-OD2 3.32Å |
| 94 | G | 94.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 70.4 Ų | 70.4 | 57% | 0.567 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 89.1 | -3.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G91 L92 | G91-G94 WeakPolarHBondContact O-CA 3.36Å; G91-G94 PolarHBondContact O-N 3.25Å; L92-G94 PolarHBondContact O-N 2.84Å |
| 95 | R | 95.1 | Very high | 93.9 | Very high | 56 Ų | 56 | 69.3 Ų | 69.3 | 21% | 0.211 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 149.6 | 174.3 | -71.6 | -176.8 | -65.4 | -139.5 | -6.1 | 111.9 | G91 S93 L97 V194 D196 D211 E214 | G91-R95 PolarHBondContact N-O 3.07Å; S93-R95 WeakPolarHBondContact OG-CB 3.25Å; S93-R95 WeakPolarHBondContact OG-CG 3.36Å; S93-R95 PolarHBondContact OG-N 2.94Å; S93-R95 VanDerWaalsContact OG-N 3.14Å; S93-R95 PolarHBondContact OG-NE 2.76Å; R95-L97 HydrophobicContact CB-CD2 4.19Å; R95-V194 PolarHBondContact NH1-O 2.87Å; R95-V194 PolarHBondContact NH2-O 2.96Å; R95-D196 IonicContact CZ-OD2 3.35Å; R95-D196 IonicContact NE-OD2 2.87Å; R95-D196 PolarHBondContact NE-OD2 2.88Å; R95-D196 IonicContact NH2-OD2 3.67Å; R95-D196 PolarHBondContact NH2-OD2 3.31Å; R95-D211 IonicContact CZ-OD2 3.22Å; R95-D211 IonicContact NE-OD2 2.99Å; R95-D211 PolarHBondContact NE-OD2 3.4Å; R95-D211 IonicContact NH1-OD2 2.71Å; R95-D211 IonicContact NH2-OD2 2.83Å; R95-D211 PolarHBondContact NH2-OD2 3.12Å; R95-E214 WeakPolarHBondContact CD-O 3.34Å; R95-E214 PolarHBondContact NH1-O 2.55Å |
| 96 | V | 96.3 | Very high | 94 | Very high | 72 Ų | 72 | 65.7 Ų | 65.7 | 44% | 0.436 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 117.9 | 170.1 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | E88 | E88-V96 HydrophobicContact CB-CG1 3.94Å; E88-V96 HydrophobicContact CG-CG1 4.15Å; E88-V96 WeakPolarHBondContact OE2-CG1 3.2Å |
| 97 | L | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.2 | -177.8 | -49.9 | -178.1 | 0 | 0 | 0 | 109.2 | E88 I89 R95 D196 L198 G216 L218 | E88-L97 WeakPolarHBondContact CA-O 3.47Å; I89-L97 HydrophobicContact CB-CB 4.46Å; I89-L97 PolarHBondContact N-O 3.12Å; I89-L97 WeakPolarHBondContact O-CB 3.5Å; I89-L97 PolarHBondContact O-N 3.18Å; R95-L97 HydrophobicContact CB-CD2 4.19Å; L97-D196 HydrophobicContact CD1-CB 3.67Å; L97-D196 HydrophobicContact CD2-CB 4.15Å; L97-L198 HydrophobicContact CD1-CD1 3.63Å; L97-G216 CarbonylContact C-O 3.54Å; L97-G216 WeakPolarHBondContact CA-O 3.27Å; L97-L218 HydrophobicContact CB-CD1 4.29Å |
| 98 | K | 95 | Very high | 94.3 | Very high | 114 Ų | 114 | 63.2 Ų | 63.2 | 50% | 0.496 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 117.5 | 180 | -67.3 | -176.7 | 177.6 | -179 | 0 | 110 | E88 P100 G216 L218 | E88-K98 HydrophobicContact CG-CG 4.4Å; K98-P100 WeakPolarHBondContact O-CD 3.36Å; K98-G216 PolarHBondContact N-O 3.13Å; K98-L218 WeakPolarHBondContact O-CB 3.22Å |
| 99 | I | 94.7 | Very high | 94.3 | Very high | 26 Ų | 26 | 63 Ų | 63 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 121.8 | -178.2 | -51.5 | -51.4 | 0 | 0 | 0 | 109.4 | P84 G87 I89 A101 W103 Y110 L198 L218 | P84-I99 HydrophobicContact CB-CG1 4.43Å; G87-I99 WeakPolarHBondContact O-CB 3.4Å; G87-I99 PolarHBondContact O-N 2.94Å; I89-I99 HydrophobicContact CD1-CD1 3.9Å; I89-I99 HydrophobicContact CD1-CG1 3.99Å; I89-I99 HydrophobicContact CG1-CD1 4.34Å; I89-I99 HydrophobicContact CG1-CG1 4.21Å; I99-A101 PolarHBondContact O-N 2.93Å; I99-W103 HydrophobicContact CG2-CE3 3.88Å; I99-W103 HydrophobicContact CG2-CZ3 4.42Å; I99-Y110 HydrophobicContact CG2-CE2 4.29Å; I99-Y110 WeakPolarHBondContact CG2-OH 3.17Å; I99-L198 HydrophobicContact CD1-CD2 3.49Å; I99-L198 VanDerWaalsContact CD1-CD2 3.49Å; I99-L218 HydrophobicContact CD1-CD1 3.78Å |
| 100 | P | 93.7 | Very high | 94.3 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 12% | 0.117 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 132.6 | 176.7 | -25.5 | 37.3 | 0 | 0 | 0 | 111.8 | K98 N102 W103 L218 | K98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-N102 WeakPolarHBondContact CB-OD1 3.45Å; P100-N102 PolarHBondContact O-N 3.4Å; P100-N102 VanDerWaalsContact O-N 3.1Å; P100-W103 HydrophobicContact CB-CD2 4.39Å; P100-W103 HydrophobicContact CB-CG 4.2Å; P100-W103 HydrophobicContact CG-CD2 4.15Å; P100-W103 HydrophobicContact CG-CG 4.47Å; P100-W103 HydrophobicContact CG-CZ2 3.84Å; P100-W103 WeakPolarHBondContact O-CB 3.43Å; P100-W103 PolarHBondContact O-N 3.49Å; P100-W103 VanDerWaalsContact O-N 3.08Å; P100-L218 HydrophobicContact CG-CB 4.38Å |
| 101 | A | 90.3 | Very high | 94.4 | Very high | 111 Ų | 111 | 58 Ų | 58 | 92% | 0.917 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I99 | I99-A101 PolarHBondContact O-N 2.93Š|
| 102 | N | 92.3 | Very high | 94.6 | Very high | 130 Ų | 130 | 58 Ų | 58 | 70% | 0.695 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -5 | 176.7 | 66.8 | -36.5 | 0 | 0 | 0 | 113.5 | P100 | P100-N102 WeakPolarHBondContact CB-OD1 3.45Å; P100-N102 PolarHBondContact O-N 3.4Å; P100-N102 VanDerWaalsContact O-N 3.1Å |
| 103 | W | 94.1 | Very high | 94.7 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | trans | -75 | 129.3 | 175.6 | -71.3 | 8.6 | 0 | 0 | 0 | 110.5 | I99 P100 Y110 L198 W200 C209 L218 V223 | I99-W103 HydrophobicContact CG2-CE3 3.88Å; I99-W103 HydrophobicContact CG2-CZ3 4.42Å; P100-W103 HydrophobicContact CB-CD2 4.39Å; P100-W103 HydrophobicContact CB-CG 4.2Å; P100-W103 HydrophobicContact CG-CD2 4.15Å; P100-W103 HydrophobicContact CG-CG 4.47Å; P100-W103 HydrophobicContact CG-CZ2 3.84Å; P100-W103 WeakPolarHBondContact O-CB 3.43Å; P100-W103 PolarHBondContact O-N 3.49Å; P100-W103 VanDerWaalsContact O-N 3.08Å; W103-Y110 AromaticContact CE3-CE1 4Å; W103-Y110 HydrophobicContact CE3-CE1 4Å; W103-Y110 HydrophobicContact CZ3-CE1 4.33Å; W103-L198 HydrophobicContact CZ3-CD2 4.38Å; W103-W200 HydrophobicContact CB-CZ2 4.32Å; W103-W200 AromaticContact CD2-CH2 3.67Å; W103-W200 HydrophobicContact CD2-CH2 3.67Å; W103-W200 AromaticContact CD2-CZ2 3.71Å; W103-W200 HydrophobicContact CD2-CZ2 3.71Å; W103-W200 HydrophobicContact CE3-CE3 4.47Å; W103-W200 AromaticContact CE3-CH2 3.36Å; W103-W200 HydrophobicContact CE3-CH2 3.36Å; W103-W200 AromaticContact CE3-CZ2 3.61Å; W103-W200 HydrophobicContact CE3-CZ2 3.61Å; W103-W200 AromaticContact CE3-CZ3 3.85Å; W103-W200 HydrophobicContact CE3-CZ3 3.85Å; W103-W200 HydrophobicContact CG-CH2 4.45Å; W103-W200 HydrophobicContact CG-CZ2 4.05Å; W103-W200 AromaticContact CH2-CH2 3.83Å; W103-W200 HydrophobicContact CH2-CH2 3.83Å; W103-W200 HydrophobicContact CH2-CZ3 4.1Å; W103-W200 HydrophobicContact CZ2-CH2 4.11Å; W103-W200 HydrophobicContact CZ3-CE3 4.38Å; W103-W200 AromaticContact CZ3-CH2 3.45Å; W103-W200 HydrophobicContact CZ3-CH2 3.45Å; W103-W200 VanDerWaalsContact CZ3-CH2 3.45Å; W103-W200 HydrophobicContact CZ3-CZ2 4.18Å; W103-W200 AromaticContact CZ3-CZ3 3.58Å; W103-W200 HydrophobicContact CZ3-CZ3 3.58Å; W103-C209 HydrophobicContact CH2-CB 3.53Å; W103-C209 VanDerWaalsContact CH2-SG 3.6Å; W103-C209 HydrophobicContact CZ2-CB 4.15Å; W103-C209 HydrophobicContact CZ3-CB 4.3Å; W103-L218 HydrophobicContact CH2-CB 3.76Å; W103-L218 HydrophobicContact CH2-CD1 3.69Å; W103-L218 HydrophobicContact CH2-CG 4.36Å; W103-L218 HydrophobicContact CZ2-CB 4.06Å; W103-L218 HydrophobicContact CZ3-CD1 4Å; W103-V223 HydrophobicContact CD2-CG2 4.47Å; W103-V223 VanDerWaalsContact CE2-CG2 3.49Å; W103-V223 HydrophobicContact CH2-CG2 4.25Å; W103-V223 HydrophobicContact CZ2-CG2 3.37Å | ||
| 104 | T | 93.9 | Very high | 94.8 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | trans | -90.5 | 124.5 | 176.5 | -54.7 | 0 | 0 | 0 | 0 | 108.8 | P106 W200 D202 | T104-P106 HydrophobicContact CG2-CG 4.45Å; T104-W200 VanDerWaalsContact O-CD1 3.3Å; T104-W200 PolarHBondContact O-NE1 3.23Å; T104-D202 WeakPolarHBondContact CG2-O 3.45Å; T104-D202 VanDerWaalsContact O-CA 3.3Å; T104-D202 WeakPolarHBondContact O-CA 3.42Å; T104-D202 VanDerWaalsContact O-CB 3.27Å; T104-D202 WeakPolarHBondContact O-CB 3.29Å | ||
| 105 | N | 95.1 | Very high | 94.8 | Very high | 24 Ų | 24 | 54 Ų | 54 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | trans | -147.3 | 91.3 | 174.9 | -179.1 | -6.3 | 0 | 0 | 0 | 109.2 | L107 G108 K109 Y110 W200 | N105-L107 PolarHBondContact O-N 3.48Å; N105-L107 PolarHBondContact OD1-N 2.94Å; N105-G108 PolarHBondContact O-N 2.79Å; N105-G108 PolarHBondContact OD1-N 2.75Å; N105-K109 PolarHBondContact ND2-N 2.8Å; N105-K109 PolarHBondContact ND2-O 3.42Å; N105-Y110 HydrophobicContact CB-CE2 4.49Å; N105-Y110 VanDerWaalsContact ND2-CE2 3.3Å; N105-Y110 WeakPolarHBondContact ND2-CE2 3.44Å; N105-W200 HydrophobicContact CB-CG 4.4Å | ||
| 106 | P | 93.8 | Very high | 94.7 | Very high | 91 Ų | 91 | 53.1 Ų | 53.1 | 59% | 0.591 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.4 | -176.7 | -24.1 | 35 | 0 | 0 | 0 | 114 | T104 H201 D202 | T104-P106 HydrophobicContact CG2-CG 4.45Å; P106-H201 WeakPolarHBondContact CD-O 3.37Å; P106-D202 VanDerWaalsContact CD-C 3.45Å; P106-D202 WeakPolarHBondContact CD-O 3.47Å; P106-D202 WeakPolarHBondContact CG-O 3.42Å |
| 107 | L | 92.3 | Very high | 94.5 | Very high | 126 Ų | 126 | 49.7 Ų | 49.7 | 66% | 0.66 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -15.2 | -179.1 | -63.8 | 178.5 | 0 | 0 | 0 | 112.8 | N105 K109 | N105-L107 PolarHBondContact O-N 3.48Å; N105-L107 PolarHBondContact OD1-N 2.94Å; L107-K109 PolarHBondContact O-N 3.36Å; L107-K109 VanDerWaalsContact O-N 3.15Å |
| 108 | G | 92.9 | Very high | 94.3 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | trans | 68.1 | 5.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P84 N105 | P84-G108 VanDerWaalsContact CD-O 3.29Å; P84-G108 WeakPolarHBondContact CD-O 3.38Å; N105-G108 PolarHBondContact O-N 2.79Å; N105-G108 PolarHBondContact OD1-N 2.75Å | ||
| 109 | K | 94.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 47.8 Ų | 47.8 | 35% | 0.348 | 28% | 0.276 | S | S | . | . | trans | -116.2 | 138.6 | -175.9 | -69.6 | 175.4 | 162.1 | -155.6 | 0 | 111.4 | E81 E83 N105 L107 | E81-K109 WeakPolarHBondContact OE2-CD 3.21Å; E81-K109 IonicContact OE2-NZ 3.72Å; E81-K109 PolarHBondContact OE2-NZ 2.84Å; E83-K109 HydrophobicContact CG-CG 3.9Å; N105-K109 PolarHBondContact ND2-N 2.8Å; N105-K109 PolarHBondContact ND2-O 3.42Å; L107-K109 PolarHBondContact O-N 3.36Å; L107-K109 VanDerWaalsContact O-N 3.15Å | ||
| 110 | Y | 97.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.2 | 174.7 | -68.9 | -92.3 | 0 | 0 | 0 | 109.9 | E81 V82 P84 I89 I99 W103 N105 L198 W200 | E81-Y110 CarbonylContact C-O 3.47Å; E81-Y110 WeakPolarHBondContact CA-O 3.48Å; V82-Y110 PolarHBondContact N-O 2.84Å; V82-Y110 PolarHBondContact O-N 3.04Å; P84-Y110 HydrophobicContact CG-CD2 4.42Å; P84-Y110 HydrophobicContact CG-CE2 4.15Å; I89-Y110 HydrophobicContact CD1-CD2 3.58Å; I89-Y110 HydrophobicContact CD1-CE2 4.35Å; I89-Y110 HydrophobicContact CD1-CG 3.81Å; I99-Y110 HydrophobicContact CG2-CE2 4.29Å; I99-Y110 WeakPolarHBondContact CG2-OH 3.17Å; W103-Y110 AromaticContact CE3-CE1 4Å; W103-Y110 HydrophobicContact CE3-CE1 4Å; W103-Y110 HydrophobicContact CZ3-CE1 4.33Å; N105-Y110 HydrophobicContact CB-CE2 4.49Å; N105-Y110 VanDerWaalsContact ND2-CE2 3.3Å; N105-Y110 WeakPolarHBondContact ND2-CE2 3.44Å; Y110-L198 HydrophobicContact CD1-CD2 4.08Å; Y110-L198 HydrophobicContact CG-CD2 4.41Å; Y110-W200 HydrophobicContact CD1-CB 3.73Å; Y110-W200 AromaticContact CD1-CD2 3.94Å; Y110-W200 HydrophobicContact CD1-CD2 3.94Å; Y110-W200 AromaticContact CD1-CE3 3.84Å; Y110-W200 HydrophobicContact CD1-CE3 3.84Å; Y110-W200 AromaticContact CD1-CG 3.92Å; Y110-W200 HydrophobicContact CD1-CG 3.92Å; Y110-W200 HydrophobicContact CE1-CB 3.93Å; Y110-W200 AromaticContact CE1-CD2 3.54Å; Y110-W200 HydrophobicContact CE1-CD2 3.54Å; Y110-W200 AromaticContact CE1-CE3 3.73Å; Y110-W200 HydrophobicContact CE1-CE3 3.73Å; Y110-W200 AromaticContact CE1-CG 3.64Å; Y110-W200 HydrophobicContact CE1-CG 3.64Å; Y110-W200 HydrophobicContact CE1-CZ3 4.44Å; Y110-W200 HydrophobicContact CG-CB 4.49Å |
| 111 | H | 98.2 | Very high | 93.9 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.3 | 168.4 | -67.4 | -102 | 0 | 0 | 0 | 108.2 | T78 T80 E81 L198 V199 W206 G252 | T78-H111 VanDerWaalsContact O-CB 3.27Å; T78-H111 WeakPolarHBondContact O-CB 3.31Å; T78-H111 PolarHBondContact O-ND1 3.29Å; T80-H111 CarbonylContact O-C 3.6Å; T80-H111 WeakPolarHBondContact O-CA 3.45Å; E81-H111 IonicContact OE1-CE1 3.58Å; E81-H111 IonicContact OE1-NE2 2.95Å; H111-L198 CarbonylContact O-C 3.58Å; H111-L198 WeakPolarHBondContact O-CA 3.47Å; H111-V199 HydrophobicContact CB-CB 3.93Å; H111-V199 WeakPolarHBondContact CB-O 3.37Å; H111-V199 PolarHBondContact N-O 2.84Å; H111-V199 PolarHBondContact O-N 3.37Å; H111-W206 AromaticContact CD2-CZ3 4Å; H111-W206 AromaticContact NE2-CH2 3.95Å; H111-G252 PolarHBondContact ND1-O 3.4Å |
| 112 | I | 97.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.6 | -177.4 | 60.9 | 168.5 | 0 | 0 | 0 | 112.3 | T78 T80 V82 I89 L92 C197 L198 | T78-I112 WeakPolarHBondContact CA-O 3.36Å; T80-I112 HydrophobicContact CG2-CD1 4.27Å; T80-I112 HydrophobicContact CG2-CG1 4.02Å; T80-I112 WeakPolarHBondContact O-CG1 3.38Å; T80-I112 PolarHBondContact O-N 2.9Å; V82-I112 HydrophobicContact CG1-CD1 3.64Å; V82-I112 HydrophobicContact CG1-CG1 4.18Å; V82-I112 HydrophobicContact CG2-CD1 4.06Å; V82-I112 HydrophobicContact CG2-CG1 4.22Å; V82-I112 HydrophobicContact CG2-CG2 3.58Å; I89-I112 HydrophobicContact CG2-CG2 4.22Å; L92-I112 HydrophobicContact CD2-CD1 3.75Å; L92-I112 HydrophobicContact CD2-CG1 4.3Å; L92-I112 HydrophobicContact CG-CD1 3.96Å; L92-I112 HydrophobicContact CG-CG1 4.22Å; I112-C197 CarbonylContact C-O 3.59Å; I112-C197 WeakPolarHBondContact CA-O 3.39Å; I112-L198 HydrophobicContact CG2-CG 4.31Å |
| 113 | G | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 172.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N77 C197 | N77-G113 WeakPolarHBondContact O-CA 3.47Å; G113-C197 PolarHBondContact N-O 2.97Å; G113-C197 PolarHBondContact O-N 3.13Å |
| 114 | I | 95.8 | Very high | 94 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 35% | 0.354 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 139.7 | 179.1 | -165.3 | 174 | 0 | 0 | 0 | 110.8 | L92 V194 Y195 | L92-I114 HydrophobicContact CB-CB 3.97Å; L92-I114 HydrophobicContact CB-CD1 4.37Å; L92-I114 HydrophobicContact CB-CG2 4.2Å; L92-I114 HydrophobicContact CD1-CB 4.42Å; L92-I114 HydrophobicContact CD1-CG2 4.22Å; I114-V194 HydrophobicContact CD1-CG1 3.47Å; I114-V194 VanDerWaalsContact CD1-CG1 3.47Å; I114-V194 HydrophobicContact CG1-CG1 3.5Å; I114-Y195 WeakPolarHBondContact CA-O 3.4Å |
| 115 | K | 94.5 | Very high | 94.1 | Very high | 27 Ų | 27 | 37 Ų | 37 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 138.3 | 177.7 | -165.9 | 64.2 | 167.3 | -168.5 | 0 | 111.3 | S73 D75 V76 F120 Y195 | S73-K115 WeakPolarHBondContact O-CE 3.39Å; S73-K115 PolarHBondContact O-NZ 3.04Å; D75-K115 PolarHBondContact O-NZ 3.45Å; V76-K115 HydrophobicContact CG2-CB 3.87Å; V76-K115 HydrophobicContact CG2-CD 4.12Å; V76-K115 HydrophobicContact CG2-CG 4.06Å; K115-F120 HydrophobicContact CB-CE1 4.36Å; K115-F120 HydrophobicContact CG-CD1 3.72Å; K115-F120 HydrophobicContact CG-CE1 3.54Å; K115-Y195 PolarHBondContact N-O 3.1Å; K115-Y195 PolarHBondContact O-N 3.38Å |
| 116 | N | 93.1 | Very high | 94 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.8 | 170.4 | -172.2 | -55 | 0 | 0 | 0 | 109.3 | Y118 D119 F120 P191 P193 | N116-Y118 VanDerWaalsContact C-N 3.25Å; N116-Y118 PolarHBondContact O-N 3.17Å; N116-Y118 WeakPolarHBondContact OD1-CB 3.45Å; N116-Y118 PolarHBondContact OD1-N 2.87Å; N116-D119 WeakPolarHBondContact O-CB 3.47Å; N116-D119 PolarHBondContact O-N 3.34Å; N116-D119 VanDerWaalsContact O-N 3.13Å; N116-F120 WeakPolarHBondContact O-CD1 3.38Å; N116-F120 WeakPolarHBondContact O-CE1 3.27Å; N116-P191 PolarHBondContact ND2-O 3.08Å; N116-P193 PolarHBondContact OD1-O 3.41Å |
| 117 | G | 92.6 | Very high | 94 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -59.1 | -36.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | D119 F120 Y121 P193 | G117-D119 PolarHBondContact O-N 2.77Å; G117-D119 VanDerWaalsContact O-N 3.1Å; G117-F120 PolarHBondContact O-N 3.21Å; G117-F120 VanDerWaalsContact O-N 3.11Å; G117-Y121 WeakPolarHBondContact O-CD1 3.43Å; G117-Y121 VanDerWaalsContact O-CG 3.26Å; G117-Y121 PolarHBondContact O-N 3Å; G117-P193 PolarHBondContact N-O 3.45Å |
| 118 | Y | 91.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -68.9 | -6.4 | 179.2 | -69.6 | -12.5 | 0 | 0 | 0 | 114.9 | N116 Y121 K126 I129 Q130 D190 | N116-Y118 VanDerWaalsContact C-N 3.25Å; N116-Y118 PolarHBondContact O-N 3.17Å; N116-Y118 WeakPolarHBondContact OD1-CB 3.45Å; N116-Y118 PolarHBondContact OD1-N 2.87Å; Y118-Y121 AromaticContact CD1-CD2 3.7Å; Y118-Y121 HydrophobicContact CD1-CD2 3.7Å; Y118-Y121 HydrophobicContact CD1-CE2 4.25Å; Y118-Y121 HydrophobicContact CD1-CG 4.28Å; Y118-Y121 AromaticContact CE1-CD2 3.89Å; Y118-Y121 HydrophobicContact CE1-CD2 3.89Å; Y118-Y121 HydrophobicContact CE1-CE2 4.18Å; Y118-K126 HydrophobicContact CD1-CB 4.31Å; Y118-K126 HydrophobicContact CD1-CD 4.24Å; Y118-K126 HydrophobicContact CD1-CG 3.77Å; Y118-K126 HydrophobicContact CD2-CD 4.42Å; Y118-K126 HydrophobicContact CD2-CG 4.29Å; Y118-K126 HydrophobicContact CE1-CG 4.04Å; Y118-K126 HydrophobicContact CG-CD 3.97Å; Y118-K126 HydrophobicContact CG-CG 3.92Å; Y118-I129 HydrophobicContact CE1-CB 4.46Å; Y118-I129 HydrophobicContact CE1-CG2 4.27Å; Y118-Q130 HydrophobicContact CE2-CG 3.67Å; Y118-Q130 WeakPolarHBondContact OH-CG 3.48Å; Y118-D190 WeakPolarHBondContact CE2-O 3.33Å; Y118-D190 PolarHBondContact OH-OD2 3.33Å |
| 119 | D | 89.8 | Confident | 94.3 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 32% | 0.316 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -78.5 | -24.6 | 172.5 | -63.3 | -17.1 | 0 | 0 | 0 | 112.3 | N116 G117 T299 | N116-D119 WeakPolarHBondContact O-CB 3.47Å; N116-D119 PolarHBondContact O-N 3.34Å; N116-D119 VanDerWaalsContact O-N 3.13Å; G117-D119 PolarHBondContact O-N 2.77Å; G117-D119 VanDerWaalsContact O-N 3.1Å; D119-T299 WeakPolarHBondContact O-CG2 3.45Å |
| 120 | F | 91.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 1 | -177.1 | 60.8 | -101 | 0 | 0 | 0 | 113.7 | K115 N116 G117 Y195 F236 L242 T259 | K115-F120 HydrophobicContact CB-CE1 4.36Å; K115-F120 HydrophobicContact CG-CD1 3.72Å; K115-F120 HydrophobicContact CG-CE1 3.54Å; N116-F120 WeakPolarHBondContact O-CD1 3.38Å; N116-F120 WeakPolarHBondContact O-CE1 3.27Å; G117-F120 PolarHBondContact O-N 3.21Å; G117-F120 VanDerWaalsContact O-N 3.11Å; F120-Y195 HydrophobicContact CE1-CD2 4.32Å; F120-Y195 AromaticContact CZ-CD2 3.87Å; F120-Y195 HydrophobicContact CZ-CD2 3.87Å; F120-Y195 AromaticContact CZ-CE2 3.84Å; F120-Y195 HydrophobicContact CZ-CE2 3.84Å; F120-F236 HydrophobicContact CE2-CD2 4.21Å; F120-F236 AromaticContact CE2-CE2 3.52Å; F120-F236 HydrophobicContact CE2-CE2 3.52Å; F120-F236 AromaticContact CE2-CZ 3.78Å; F120-F236 HydrophobicContact CE2-CZ 3.78Å; F120-F236 HydrophobicContact CZ-CE1 4.41Å; F120-F236 HydrophobicContact CZ-CE2 4.03Å; F120-F236 AromaticContact CZ-CZ 3.78Å; F120-F236 HydrophobicContact CZ-CZ 3.78Å; F120-L242 HydrophobicContact CD2-CD2 4.4Å; F120-L242 HydrophobicContact CE2-CD2 4.46Å; F120-T259 HydrophobicContact CD2-CG2 3.84Å; F120-T259 HydrophobicContact CE2-CG2 4.22Å; F120-T259 PolarHBondContact O-OG1 3.14Å; F120-T259 VanDerWaalsContact O-OG1 3.13Å |
| 121 | Y | 93.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -74 | 133.2 | 171.2 | -78.8 | 16.4 | 0 | 0 | 0 | 110.5 | G117 Y118 L125 I129 Y195 E240 L242 | G117-Y121 WeakPolarHBondContact O-CD1 3.43Å; G117-Y121 VanDerWaalsContact O-CG 3.26Å; G117-Y121 PolarHBondContact O-N 3Å; Y118-Y121 AromaticContact CD1-CD2 3.7Å; Y118-Y121 HydrophobicContact CD1-CD2 3.7Å; Y118-Y121 HydrophobicContact CD1-CE2 4.25Å; Y118-Y121 HydrophobicContact CD1-CG 4.28Å; Y118-Y121 AromaticContact CE1-CD2 3.89Å; Y118-Y121 HydrophobicContact CE1-CD2 3.89Å; Y118-Y121 HydrophobicContact CE1-CE2 4.18Å; Y121-L125 HydrophobicContact CD1-CD2 4.47Å; Y121-L125 HydrophobicContact CD2-CD2 4.03Å; Y121-L125 HydrophobicContact CD2-CG 4.13Å; Y121-L125 HydrophobicContact CE2-CD2 4.43Å; Y121-L125 HydrophobicContact CG-CD2 4.06Å; Y121-L125 HydrophobicContact CG-CG 4.49Å; Y121-I129 HydrophobicContact CE2-CG1 4.5Å; Y121-Y195 PolarHBondContact OH-OH 3.43Å; Y121-E240 HydrophobicContact CE2-CG 3.94Å; Y121-L242 HydrophobicContact CD1-CD2 3.51Å; Y121-L242 HydrophobicContact CE1-CD2 3.7Å; Y121-L242 HydrophobicContact CG-CD2 4.34Å |
| 122 | P | 93.4 | Very high | 94 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | trans | -53.2 | 142.6 | 166.9 | -28 | 36.8 | 0 | 0 | 0 | 111.2 | A124 L125 K126 L242 S260 G261 W437 | P122-A124 VanDerWaalsContact C-N 3.31Å; P122-A124 PolarHBondContact O-N 2.81Å; P122-L125 HydrophobicContact CB-CB 4.28Å; P122-L125 WeakPolarHBondContact O-CA 3.28Å; P122-L125 WeakPolarHBondContact O-CB 3.43Å; P122-L125 PolarHBondContact O-N 2.85Å; P122-K126 PolarHBondContact O-N 3.08Å; P122-L242 HydrophobicContact CG-CD1 4.5Å; P122-S260 WeakPolarHBondContact CG-O 3.35Å; P122-G261 WeakPolarHBondContact CB-O 3.45Å; P122-W437 HydrophobicContact CB-CH2 3.67Å; P122-W437 HydrophobicContact CB-CZ2 3.7Å; P122-W437 HydrophobicContact CB-CZ3 4.11Å; P122-W437 HydrophobicContact CG-CD2 4.26Å; P122-W437 HydrophobicContact CG-CH2 4.17Å; P122-W437 HydrophobicContact CG-CZ2 3.68Å | ||
| 123 | K | 91.9 | Very high | 93.8 | Very high | 122 Ų | 122 | 43.7 Ų | 43.7 | 53% | 0.53 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -50.5 | -48.8 | -177 | 179.7 | 178 | 174.3 | -179.7 | 0 | 113 | L125 K126 E127 | K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 2.9Å; K123-K126 WeakPolarHBondContact O-CB 3.26Å; K123-K126 PolarHBondContact O-N 3.43Å; K123-E127 WeakPolarHBondContact CE-OE1 3.42Å; K123-E127 WeakPolarHBondContact O-CG 3.38Å; K123-E127 PolarHBondContact O-N 2.96Å |
| 124 | A | 93.2 | Very high | 93.7 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 49% | 0.488 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.6 | -35.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | P122 R128 W437 | P122-A124 VanDerWaalsContact C-N 3.31Å; P122-A124 PolarHBondContact O-N 2.81Å; A124-R128 PolarHBondContact O-N 2.96Å; A124-R128 VanDerWaalsContact O-N 3.15Å; A124-W437 HydrophobicContact CB-CZ3 4.12Å |
| 125 | L | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -48.8 | 173.5 | 175.4 | 61.8 | 0 | 0 | 0 | 110.6 | Y121 P122 K123 E127 R128 I129 E240 L242 W437 | Y121-L125 HydrophobicContact CD1-CD2 4.47Å; Y121-L125 HydrophobicContact CD2-CD2 4.03Å; Y121-L125 HydrophobicContact CD2-CG 4.13Å; Y121-L125 HydrophobicContact CE2-CD2 4.43Å; Y121-L125 HydrophobicContact CG-CD2 4.06Å; Y121-L125 HydrophobicContact CG-CG 4.49Å; P122-L125 HydrophobicContact CB-CB 4.28Å; P122-L125 WeakPolarHBondContact O-CA 3.28Å; P122-L125 WeakPolarHBondContact O-CB 3.43Å; P122-L125 PolarHBondContact O-N 2.85Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 2.9Å; L125-E127 VanDerWaalsContact C-N 3.33Å; L125-E127 PolarHBondContact O-N 2.8Å; L125-R128 VanDerWaalsContact CD1-NH2 3.25Å; L125-R128 WeakPolarHBondContact O-CB 3.24Å; L125-R128 PolarHBondContact O-N 3.47Å; L125-R128 VanDerWaalsContact O-N 3.1Å; L125-I129 HydrophobicContact CD1-CD1 4.16Å; L125-I129 HydrophobicContact CD1-CG1 3.81Å; L125-I129 HydrophobicContact CG-CG1 4.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 3.11Å; L125-E240 HydrophobicContact CD1-CB 4.38Å; L125-E240 HydrophobicContact CD2-CB 4.45Å; L125-L242 HydrophobicContact CD2-CB 3.86Å; L125-L242 HydrophobicContact CD2-CD1 4.34Å; L125-L242 HydrophobicContact CD2-CD2 3.88Å; L125-L242 HydrophobicContact CD2-CG 4.25Å; L125-W437 HydrophobicContact CB-CD2 4.46Å; L125-W437 HydrophobicContact CB-CE3 3.87Å; L125-W437 HydrophobicContact CB-CZ3 4.32Å; L125-W437 HydrophobicContact CD1-CB 4.47Å; L125-W437 HydrophobicContact CD2-CB 4.23Å |
| 126 | K | 94 | Very high | 93.6 | Very high | 69 Ų | 69 | 53 Ų | 53 | 30% | 0.3 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -54 | -49 | 177.6 | 176 | 175.2 | -179.9 | 172.2 | 0 | 111.5 | Y118 P122 K123 R128 I129 Q130 | Y118-K126 HydrophobicContact CD1-CB 4.31Å; Y118-K126 HydrophobicContact CD1-CD 4.24Å; Y118-K126 HydrophobicContact CD1-CG 3.77Å; Y118-K126 HydrophobicContact CD2-CD 4.42Å; Y118-K126 HydrophobicContact CD2-CG 4.29Å; Y118-K126 HydrophobicContact CE1-CG 4.04Å; Y118-K126 HydrophobicContact CG-CD 3.97Å; Y118-K126 HydrophobicContact CG-CG 3.92Å; P122-K126 PolarHBondContact O-N 3.08Å; K123-K126 WeakPolarHBondContact O-CB 3.26Å; K123-K126 PolarHBondContact O-N 3.43Å; K126-R128 VanDerWaalsContact C-N 3.33Å; K126-R128 PolarHBondContact O-N 3.44Å; K126-I129 PolarHBondContact O-N 2.67Å; K126-Q130 HydrophobicContact CG-CG 4.42Å; K126-Q130 WeakPolarHBondContact O-CB 3.28Å; K126-Q130 VanDerWaalsContact O-CG 3.26Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.74Å |
| 127 | E | 94.6 | Very high | 93.5 | Very high | 104 Ų | 104 | 56 Ų | 56 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 177.4 | -72.3 | 172.2 | 178.5 | 0 | 0 | 112.1 | K123 L125 K131 | K123-E127 WeakPolarHBondContact CE-OE1 3.42Å; K123-E127 WeakPolarHBondContact O-CG 3.38Å; K123-E127 PolarHBondContact O-N 2.96Å; L125-E127 VanDerWaalsContact C-N 3.33Å; L125-E127 PolarHBondContact O-N 2.8Å; E127-K131 WeakPolarHBondContact O-CB 3.43Å; E127-K131 PolarHBondContact O-N 2.96Å |
| 128 | R | 95.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 59 Ų | 59 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 175.1 | -175.8 | 178.1 | 77.5 | -151.4 | 4.4 | 111.6 | A124 L125 K126 K131 E132 A239 E240 W437 L439 | A124-R128 PolarHBondContact O-N 2.96Å; A124-R128 VanDerWaalsContact O-N 3.15Å; L125-R128 VanDerWaalsContact CD1-NH2 3.25Å; L125-R128 WeakPolarHBondContact O-CB 3.24Å; L125-R128 PolarHBondContact O-N 3.47Å; L125-R128 VanDerWaalsContact O-N 3.1Å; K126-R128 VanDerWaalsContact C-N 3.33Å; K126-R128 PolarHBondContact O-N 3.44Å; R128-K131 PolarHBondContact O-N 2.84Å; R128-E132 IonicContact NE-OE1 3.96Å; R128-E132 WeakPolarHBondContact O-CG 3.34Å; R128-E132 PolarHBondContact O-N 3.07Å; R128-A239 PolarHBondContact NH2-O 3.12Å; R128-E240 PolarHBondContact NH2-O 2.92Å; R128-W437 PolarHBondContact NH1-O 2.91Å; R128-W437 PolarHBondContact NH2-O 2.99Å; R128-L439 VanDerWaalsContact NH1-CD1 3.33Å; R128-L439 VanDerWaalsContact NH1-CG 3.34Å |
| 129 | I | 95.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | -177.1 | -61.4 | -58.2 | 0 | 0 | 0 | 111.4 | Y118 Y121 L125 K126 K131 E132 R133 A239 E240 | Y118-I129 HydrophobicContact CE1-CB 4.46Å; Y118-I129 HydrophobicContact CE1-CG2 4.27Å; Y121-I129 HydrophobicContact CE2-CG1 4.5Å; L125-I129 HydrophobicContact CD1-CD1 4.16Å; L125-I129 HydrophobicContact CD1-CG1 3.81Å; L125-I129 HydrophobicContact CG-CG1 4.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 3.11Å; K126-I129 PolarHBondContact O-N 2.67Å; I129-K131 VanDerWaalsContact C-N 3.34Å; I129-K131 PolarHBondContact O-N 2.89Å; I129-E132 PolarHBondContact O-N 2.74Å; I129-R133 HydrophobicContact CG2-CG 4.24Å; I129-R133 WeakPolarHBondContact O-CB 3.33Å; I129-R133 WeakPolarHBondContact O-CG 3.42Å; I129-R133 PolarHBondContact O-N 2.93Å; I129-A239 HydrophobicContact CD1-CB 4.4Å; I129-E240 HydrophobicContact CD1-CG 3.79Å; I129-E240 HydrophobicContact CG1-CG 4.05Å |
| 130 | Q | 95.2 | Very high | 94 | Very high | 60 Ų | 60 | 59.4 Ų | 59.4 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.1 | -73.7 | -179.7 | -37.5 | 0 | 0 | 111.8 | Y118 K126 K134 D190 | Y118-Q130 HydrophobicContact CE2-CG 3.67Å; Y118-Q130 WeakPolarHBondContact OH-CG 3.48Å; K126-Q130 HydrophobicContact CG-CG 4.42Å; K126-Q130 WeakPolarHBondContact O-CB 3.28Å; K126-Q130 VanDerWaalsContact O-CG 3.26Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.74Å; Q130-K134 WeakPolarHBondContact O-CB 3.28Å; Q130-K134 PolarHBondContact O-N 2.94Å; Q130-D190 HydrophobicContact CG-CB 4.23Å |
| 131 | K | 94.9 | Very high | 94.3 | Very high | 131 Ų | 131 | 65.4 Ų | 65.4 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.3 | -48.7 | 175.7 | -178.6 | 179.9 | 172.7 | -176.9 | 0 | 111.3 | E127 R128 I129 R133 K134 E135 | E127-K131 WeakPolarHBondContact O-CB 3.43Å; E127-K131 PolarHBondContact O-N 2.96Å; R128-K131 PolarHBondContact O-N 2.84Å; I129-K131 VanDerWaalsContact C-N 3.34Å; I129-K131 PolarHBondContact O-N 2.89Å; K131-R133 PolarHBondContact O-N 3.27Å; K131-K134 PolarHBondContact O-N 2.87Å; K131-E135 WeakPolarHBondContact CE-OE1 3.26Å; K131-E135 IonicContact NZ-OE1 3.94Å; K131-E135 WeakPolarHBondContact O-CG 3.48Å; K131-E135 PolarHBondContact O-N 2.86Å |
| 132 | E | 93.8 | Very high | 94.3 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 179.2 | -75.1 | -170.7 | -145.2 | 0 | 0 | 112.7 | R128 I129 K134 E135 K136 | R128-E132 IonicContact NE-OE1 3.96Å; R128-E132 WeakPolarHBondContact O-CG 3.34Å; R128-E132 PolarHBondContact O-N 3.07Å; I129-E132 PolarHBondContact O-N 2.74Å; E132-K134 VanDerWaalsContact C-N 3.34Å; E132-E135 PolarHBondContact O-N 2.97Å; E132-K136 VanDerWaalsContact O-CB 3.3Å; E132-K136 WeakPolarHBondContact O-CB 3.31Å; E132-K136 VanDerWaalsContact O-CG 3.29Å; E132-K136 WeakPolarHBondContact O-CG 3.33Å; E132-K136 PolarHBondContact O-N 2.99Å; E132-K136 IonicContact OE2-NZ 2.69Å; E132-K136 PolarHBondContact OE2-NZ 3.3Å |
| 133 | R | 93.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 73.5 Ų | 73.5 | 21% | 0.211 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177.1 | -74.3 | 171 | 79.5 | 117.7 | 1 | 110.8 | I129 K131 I137 D190 E214 | I129-R133 HydrophobicContact CG2-CG 4.24Å; I129-R133 WeakPolarHBondContact O-CB 3.33Å; I129-R133 WeakPolarHBondContact O-CG 3.42Å; I129-R133 PolarHBondContact O-N 2.93Å; K131-R133 PolarHBondContact O-N 3.27Å; R133-I137 HydrophobicContact CB-CD1 4.28Å; R133-I137 HydrophobicContact CG-CD1 4.31Å; R133-I137 WeakPolarHBondContact O-CA 3.49Å; R133-I137 VanDerWaalsContact O-CB 3.24Å; R133-I137 WeakPolarHBondContact O-CB 3.4Å; R133-I137 WeakPolarHBondContact O-CG1 3.43Å; R133-I137 PolarHBondContact O-N 2.84Å; R133-D190 VanDerWaalsContact CD-OD2 3.31Å; R133-D190 WeakPolarHBondContact CD-OD2 3.42Å; R133-D190 IonicContact NE-OD1 2.63Å; R133-D190 PolarHBondContact NE-OD1 3.24Å; R133-D190 IonicContact NE-OD2 3.5Å; R133-D190 PolarHBondContact NE-OD2 3.28Å; R133-E214 IonicContact NH1-OE1 2.93Å |
| 134 | K | 94.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 72.2 Ų | 72.2 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -60 | -51.4 | 173.5 | -174 | 178.8 | 177.8 | 178.4 | 0 | 111.4 | Q130 K131 E132 K136 W138 D139 E185 Y188 | Q130-K134 WeakPolarHBondContact O-CB 3.28Å; Q130-K134 PolarHBondContact O-N 2.94Å; K131-K134 PolarHBondContact O-N 2.87Å; E132-K134 VanDerWaalsContact C-N 3.34Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 3.49Å; K134-W138 HydrophobicContact CG-CB 4.25Å; K134-W138 HydrophobicContact CG-CG 4.48Å; K134-W138 WeakPolarHBondContact O-CB 3.29Å; K134-W138 PolarHBondContact O-N 3.42Å; K134-D139 VanDerWaalsContact CE-OD1 3.29Å; K134-D139 WeakPolarHBondContact CE-OD1 3.42Å; K134-D139 WeakPolarHBondContact CG-OD1 3.45Å; K134-D139 PolarHBondContact O-N 3.03Å; K134-E185 VanDerWaalsContact CE-OE1 3.25Å; K134-E185 WeakPolarHBondContact CE-OE1 3.32Å; K134-E185 IonicContact NZ-OE1 3.42Å; K134-E185 PolarHBondContact NZ-OE1 3Å; K134-Y188 HydrophobicContact CB-CD1 4.45Å; K134-Y188 HydrophobicContact CB-CE1 3.75Å; K134-Y188 HydrophobicContact CD-CD1 3.97Å; K134-Y188 HydrophobicContact CD-CE1 4.13Å; K134-Y188 HydrophobicContact CG-CD1 4.12Å; K134-Y188 HydrophobicContact CG-CE1 3.85Å |
| 135 | E | 95.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 71.2 Ų | 71.2 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | I | π-helix | trans | -64.1 | -35.3 | -177.8 | -72.7 | 174.3 | 175.4 | 0 | 0 | 113.1 | K131 E132 P140 | K131-E135 WeakPolarHBondContact CE-OE1 3.26Å; K131-E135 IonicContact NZ-OE1 3.94Å; K131-E135 WeakPolarHBondContact O-CG 3.48Å; K131-E135 PolarHBondContact O-N 2.86Å; E132-E135 PolarHBondContact O-N 2.97Å; E135-P140 WeakPolarHBondContact O-CD 3.38Å |
| 136 | K | 93.3 | Very high | 95 | Very high | 138 Ų | 138 | 73 Ų | 73 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | I | π-helix | trans | -87.8 | -38.6 | -176.7 | -69.6 | 169.3 | -179.6 | 165.3 | 0 | 113.6 | E132 K134 | E132-K136 VanDerWaalsContact O-CB 3.3Å; E132-K136 WeakPolarHBondContact O-CB 3.31Å; E132-K136 VanDerWaalsContact O-CG 3.29Å; E132-K136 WeakPolarHBondContact O-CG 3.33Å; E132-K136 PolarHBondContact O-N 2.99Å; E132-K136 IonicContact OE2-NZ 2.69Å; E132-K136 PolarHBondContact OE2-NZ 3.3Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 3.49Å |
| 137 | I | 91.7 | Very high | 95.1 | Very high | 102 Ų | 102 | 72.2 Ų | 72.2 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | I | π-helix | trans | -106.8 | -42.2 | -168 | -52.4 | 174.2 | 0 | 0 | 0 | 111.6 | R133 | R133-I137 HydrophobicContact CB-CD1 4.28Å; R133-I137 HydrophobicContact CG-CD1 4.31Å; R133-I137 WeakPolarHBondContact O-CA 3.49Å; R133-I137 VanDerWaalsContact O-CB 3.24Å; R133-I137 WeakPolarHBondContact O-CB 3.4Å; R133-I137 WeakPolarHBondContact O-CG1 3.43Å; R133-I137 PolarHBondContact O-N 2.84Å |
| 138 | W | 94.4 | Very high | 95.2 | Very high | 63 Ų | 63 | 71.3 Ų | 71.3 | 24% | 0.239 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -90.2 | -57.2 | -173.1 | 176.3 | -99.2 | 0 | 0 | 0 | 112.4 | K134 I141 H142 F184 E185 Y188 | K134-W138 HydrophobicContact CG-CB 4.25Å; K134-W138 HydrophobicContact CG-CG 4.48Å; K134-W138 WeakPolarHBondContact O-CB 3.29Å; K134-W138 PolarHBondContact O-N 3.42Å; W138-I141 PolarHBondContact O-N 2.95Å; W138-H142 HydrophobicContact CD2-CB 4.15Å; W138-H142 AromaticContact CE2-CG 3.63Å; W138-H142 AromaticContact CE2-ND1 3.76Å; W138-H142 HydrophobicContact CG-CB 4.36Å; W138-H142 AromaticContact CH2-ND1 3.88Å; W138-H142 HydrophobicContact CZ2-CB 4.13Å; W138-H142 AromaticContact CZ2-CE1 3.86Å; W138-H142 AromaticContact CZ2-CG 3.65Å; W138-H142 AromaticContact CZ2-ND1 3.26Å; W138-H142 VanDerWaalsContact CZ2-ND1 3.26Å; W138-H142 WeakPolarHBondContact CZ2-ND1 3.26Å; W138-H142 AromaticContact NE1-CD2 3.93Å; W138-H142 AromaticContact NE1-CG 3.58Å; W138-H142 WeakPolarHBondContact O-CB 3.29Å; W138-H142 PolarHBondContact O-N 2.72Å; W138-F184 HydrophobicContact CH2-CB 3.8Å; W138-F184 HydrophobicContact CZ2-CB 3.91Å; W138-E185 PolarHBondContact NE1-OE2 2.78Å; W138-Y188 HydrophobicContact CB-CD2 4.22Å; W138-Y188 HydrophobicContact CB-CE2 3.61Å; W138-Y188 AromaticContact CD1-CD2 3.98Å; W138-Y188 AromaticContact CD2-CD2 3.44Å; W138-Y188 HydrophobicContact CD2-CD2 3.44Å; W138-Y188 VanDerWaalsContact CD2-CD2 3.44Å; W138-Y188 AromaticContact CD2-CE2 3.62Å; W138-Y188 HydrophobicContact CD2-CE2 3.62Å; W138-Y188 HydrophobicContact CD2-CG 4.45Å; W138-Y188 AromaticContact CE2-CD2 3.75Å; W138-Y188 AromaticContact CE3-CD2 3.83Å; W138-Y188 HydrophobicContact CE3-CD2 3.83Å; W138-Y188 AromaticContact CE3-CE2 3.82Å; W138-Y188 HydrophobicContact CE3-CE2 3.82Å; W138-Y188 AromaticContact CG-CD2 3.61Å; W138-Y188 HydrophobicContact CG-CD2 3.61Å; W138-Y188 AromaticContact CG-CE2 3.52Å; W138-Y188 HydrophobicContact CG-CE2 3.52Å; W138-Y188 HydrophobicContact CG-CG 4.4Å; W138-Y188 HydrophobicContact CZ2-CD2 4.37Å; W138-Y188 HydrophobicContact CZ3-CD2 4.43Å |
| 139 | D | 95.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 69.2 Ų | 69.2 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55 | -44.6 | -171.7 | -81.7 | 10.6 | 0 | 0 | 0 | 114 | K134 I141 R143 | K134-D139 VanDerWaalsContact CE-OD1 3.29Å; K134-D139 WeakPolarHBondContact CE-OD1 3.42Å; K134-D139 WeakPolarHBondContact CG-OD1 3.45Å; K134-D139 PolarHBondContact O-N 3.03Å; D139-I141 PolarHBondContact O-N 2.73Å; D139-R143 VanDerWaalsContact O-CB 3.25Å; D139-R143 WeakPolarHBondContact O-CB 3.2Å; D139-R143 WeakPolarHBondContact O-CD 3.27Å; D139-R143 WeakPolarHBondContact O-CG 3.18Å; D139-R143 PolarHBondContact O-N 3.28Å; D139-R143 IonicContact OD2-CZ 3.89Å; D139-R143 IonicContact OD2-NE 3.68Å; D139-R143 IonicContact OD2-NH2 2.88Å; D139-R143 PolarHBondContact OD2-NH2 2.95Å |
| 140 | P | 96.4 | Very high | 95.3 | Very high | 68 Ų | 68 | 71.4 Ų | 71.4 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | -177.2 | -23.8 | 35.9 | 0 | 0 | 0 | 112.8 | E135 V144 | E135-P140 WeakPolarHBondContact O-CD 3.38Å; P140-V144 VanDerWaalsContact O-CG2 3.29Å; P140-V144 WeakPolarHBondContact O-CG2 3.46Å |
| 141 | I | 95.6 | Very high | 95.3 | Very high | 125 Ų | 125 | 75.2 Ų | 75.2 | 64% | 0.641 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -77 | -45.1 | -179.1 | -57.2 | 174.5 | 0 | 0 | 0 | 109.6 | W138 D139 V144 A145 | W138-I141 PolarHBondContact O-N 2.95Å; D139-I141 PolarHBondContact O-N 2.73Å; I141-V144 PolarHBondContact O-N 3.2Å; I141-A145 WeakPolarHBondContact O-CB 3.39Å; I141-A145 PolarHBondContact O-N 3.24Å |
| 142 | H | 95.4 | Very high | 95.4 | Very high | 12 Ų | 12 | 73.3 Ų | 73.3 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | -175.9 | -175.5 | 69.9 | 0 | 0 | 0 | 112.3 | W138 V144 A145 L146 L181 E185 | W138-H142 HydrophobicContact CD2-CB 4.15Å; W138-H142 AromaticContact CE2-CG 3.63Å; W138-H142 AromaticContact CE2-ND1 3.76Å; W138-H142 HydrophobicContact CG-CB 4.36Å; W138-H142 AromaticContact CH2-ND1 3.88Å; W138-H142 HydrophobicContact CZ2-CB 4.13Å; W138-H142 AromaticContact CZ2-CE1 3.86Å; W138-H142 AromaticContact CZ2-CG 3.65Å; W138-H142 AromaticContact CZ2-ND1 3.26Å; W138-H142 VanDerWaalsContact CZ2-ND1 3.26Å; W138-H142 WeakPolarHBondContact CZ2-ND1 3.26Å; W138-H142 AromaticContact NE1-CD2 3.93Å; W138-H142 AromaticContact NE1-CG 3.58Å; W138-H142 WeakPolarHBondContact O-CB 3.29Å; W138-H142 PolarHBondContact O-N 2.72Å; H142-V144 VanDerWaalsContact C-N 3.3Å; H142-V144 PolarHBondContact O-N 2.8Å; H142-A145 PolarHBondContact O-N 3.19Å; H142-L146 WeakPolarHBondContact O-CB 3.39Å; H142-L146 PolarHBondContact O-N 2.52Å; H142-L181 PolarHBondContact CE1-O 2.87Å; H142-E185 IonicContact CD2-OE2 3.27Å; H142-E185 PolarHBondContact CD2-OE2 2.94Å; H142-E185 IonicContact CG-OE2 3.55Å; H142-E185 IonicContact NE2-OE2 2.7Å |
| 143 | R | 96.2 | Very high | 95.4 | Very high | 164 Ų | 164 | 72.3 Ų | 72.3 | 62% | 0.619 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.8 | -39 | -180 | -70.1 | 171.4 | -172 | -177.6 | 5.1 | 111.9 | D139 A147 | D139-R143 VanDerWaalsContact O-CB 3.25Å; D139-R143 WeakPolarHBondContact O-CB 3.2Å; D139-R143 WeakPolarHBondContact O-CD 3.27Å; D139-R143 WeakPolarHBondContact O-CG 3.18Å; D139-R143 PolarHBondContact O-N 3.28Å; D139-R143 IonicContact OD2-CZ 3.89Å; D139-R143 IonicContact OD2-NE 3.68Å; D139-R143 IonicContact OD2-NH2 2.88Å; D139-R143 PolarHBondContact OD2-NH2 2.95Å; R143-A147 VanDerWaalsContact O-CB 3.28Å; R143-A147 WeakPolarHBondContact O-CB 3.42Å; R143-A147 PolarHBondContact O-N 3.14Å |
| 144 | V | 96.9 | Very high | 95.4 | Very high | 96 Ų | 96 | 75.8 Ų | 75.8 | 58% | 0.582 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.1 | -48.1 | 176.7 | 174 | 0 | 0 | 0 | 0 | 110.8 | P140 I141 H142 L146 A147 E148 | P140-V144 VanDerWaalsContact O-CG2 3.29Å; P140-V144 WeakPolarHBondContact O-CG2 3.46Å; I141-V144 PolarHBondContact O-N 3.2Å; H142-V144 VanDerWaalsContact C-N 3.3Å; H142-V144 PolarHBondContact O-N 2.8Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 2.93Å; V144-A147 PolarHBondContact O-N 3.08Å; V144-E148 WeakPolarHBondContact O-CB 3.2Å; V144-E148 PolarHBondContact O-N 2.68Å |
| 145 | A | 96.5 | Very high | 95.3 | Very high | 38 Ų | 38 | 78.7 Ų | 78.7 | 31% | 0.314 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I141 H142 E148 A149 L181 | I141-A145 WeakPolarHBondContact O-CB 3.39Å; I141-A145 PolarHBondContact O-N 3.24Å; H142-A145 PolarHBondContact O-N 3.19Å; A145-E148 PolarHBondContact O-N 2.68Å; A145-A149 WeakPolarHBondContact O-CB 3.36Å; A145-A149 PolarHBondContact O-N 3.23Å; A145-L181 HydrophobicContact CB-CD2 4.46Å |
| 146 | L | 96.9 | Very high | 95.1 | Very high | 37 Ų | 37 | 75.5 Ų | 75.5 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 176.8 | -177.7 | 62 | 0 | 0 | 0 | 111.7 | H142 V144 E148 A149 C150 V178 L181 | H142-L146 WeakPolarHBondContact O-CB 3.39Å; H142-L146 PolarHBondContact O-N 2.52Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 2.93Å; L146-E148 VanDerWaalsContact C-N 3.32Å; L146-E148 PolarHBondContact O-N 3.19Å; L146-A149 PolarHBondContact O-N 3.08Å; L146-C150 WeakPolarHBondContact O-CB 3.48Å; L146-C150 PolarHBondContact O-N 2.84Å; L146-C150 PolarHBondContact O-SG 3.09Å; L146-C150 VanDerWaalsContact O-SG 3.34Å; L146-V178 HydrophobicContact CD1-CG1 4.32Å; L146-L181 HydrophobicContact CB-CD1 4.49Å; L146-L181 HydrophobicContact CD1-CB 3.82Å; L146-L181 HydrophobicContact CD1-CD1 4.32Å |
| 147 | A | 96.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 71.4 Ų | 71.4 | 44% | 0.438 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R143 V144 R151 | R143-A147 VanDerWaalsContact O-CB 3.28Å; R143-A147 WeakPolarHBondContact O-CB 3.42Å; R143-A147 PolarHBondContact O-N 3.14Å; V144-A147 PolarHBondContact O-N 3.08Å; A147-R151 WeakPolarHBondContact O-CB 3.43Å; A147-R151 PolarHBondContact O-N 3.2Å; A147-R151 VanDerWaalsContact O-N 3.09Å |
| 148 | E | 97 | Very high | 94.7 | Very high | 85 Ų | 85 | 72.4 Ų | 72.4 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 174.9 | -169.1 | -176 | 156 | 0 | 0 | 111.9 | V144 A145 L146 R151 K152 | V144-E148 WeakPolarHBondContact O-CB 3.2Å; V144-E148 PolarHBondContact O-N 2.68Å; A145-E148 PolarHBondContact O-N 2.68Å; L146-E148 VanDerWaalsContact C-N 3.32Å; L146-E148 PolarHBondContact O-N 3.19Å; E148-R151 PolarHBondContact O-N 2.91Å; E148-K152 WeakPolarHBondContact O-CG 3.14Å; E148-K152 PolarHBondContact O-N 2.73Å; E148-K152 WeakPolarHBondContact OE1-CE 3.43Å; E148-K152 IonicContact OE1-NZ 3.08Å; E148-K152 PolarHBondContact OE1-NZ 3.05Å |
| 149 | A | 96.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 73 Ų | 73 | 5% | 0.05 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A145 L146 R151 K152 Q153 V178 L181 | A145-A149 WeakPolarHBondContact O-CB 3.36Å; A145-A149 PolarHBondContact O-N 3.23Å; L146-A149 PolarHBondContact O-N 3.08Å; A149-R151 VanDerWaalsContact C-N 3.31Å; A149-R151 PolarHBondContact O-N 2.7Å; A149-K152 PolarHBondContact O-N 3.34Å; A149-Q153 PolarHBondContact O-N 2.85Å; A149-V178 HydrophobicContact CB-CG2 3.89Å; A149-L181 HydrophobicContact CB-CD1 3.66Å |
| 150 | C | 95.8 | Very high | 93.5 | Very high | 51 Ų | 51 | 75.3 Ų | 75.3 | 35% | 0.345 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 175.5 | -70.1 | 0 | 0 | 0 | 0 | 112 | L146 Q153 E154 | L146-C150 WeakPolarHBondContact O-CB 3.48Å; L146-C150 PolarHBondContact O-N 2.84Å; L146-C150 PolarHBondContact O-SG 3.09Å; L146-C150 VanDerWaalsContact O-SG 3.34Å; C150-Q153 WeakPolarHBondContact O-CB 3.32Å; C150-Q153 PolarHBondContact O-N 2.81Å; C150-E154 PolarHBondContact O-N 3.05Å |
| 151 | R | 96.9 | Very high | 92 | Very high | 139 Ų | 139 | 79.6 Ų | 79.6 | 53% | 0.525 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 177.9 | -165.3 | -169.8 | -39.6 | 160 | 14.2 | 112.2 | A147 E148 A149 Q153 E154 E155 | A147-R151 WeakPolarHBondContact O-CB 3.43Å; A147-R151 PolarHBondContact O-N 3.2Å; A147-R151 VanDerWaalsContact O-N 3.09Å; E148-R151 PolarHBondContact O-N 2.91Å; A149-R151 VanDerWaalsContact C-N 3.31Å; A149-R151 PolarHBondContact O-N 2.7Å; R151-Q153 PolarHBondContact O-N 3.28Å; R151-E154 PolarHBondContact O-N 3.29Å; R151-E155 WeakPolarHBondContact CD-OE1 3.34Å; R151-E155 HydrophobicContact CG-CG 4.37Å; R151-E155 WeakPolarHBondContact CG-OE1 3.47Å; R151-E155 WeakPolarHBondContact O-CB 3.15Å; R151-E155 VanDerWaalsContact O-CG 3.31Å; R151-E155 WeakPolarHBondContact O-CG 3.38Å; R151-E155 PolarHBondContact O-N 3.32Å |
| 152 | K | 95.1 | Very high | 90.5 | Very high | 91 Ų | 91 | 75.8 Ų | 75.8 | 40% | 0.396 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 176 | -74.3 | 176 | -177.2 | 165.2 | 0 | 111.6 | E148 A149 F156 L174 | E148-K152 WeakPolarHBondContact O-CG 3.14Å; E148-K152 PolarHBondContact O-N 2.73Å; E148-K152 WeakPolarHBondContact OE1-CE 3.43Å; E148-K152 IonicContact OE1-NZ 3.08Å; E148-K152 PolarHBondContact OE1-NZ 3.05Å; A149-K152 PolarHBondContact O-N 3.34Å; K152-F156 VanDerWaalsContact O-CB 3.28Å; K152-F156 WeakPolarHBondContact O-CB 3.42Å; K152-F156 PolarHBondContact O-N 3.17Å; K152-L174 HydrophobicContact CB-CD2 3.95Å |
| 153 | Q | 93.7 | Very high | 89 | Confident | 28 Ų | 28 | 81.6 Ų | 81.6 | 13% | 0.131 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63 | -49.1 | 175.2 | -176.4 | 179.6 | 21.5 | 0 | 0 | 111.9 | A149 C150 R151 F156 D157 L174 | A149-Q153 PolarHBondContact O-N 2.85Å; C150-Q153 WeakPolarHBondContact O-CB 3.32Å; C150-Q153 PolarHBondContact O-N 2.81Å; R151-Q153 PolarHBondContact O-N 3.28Å; Q153-F156 PolarHBondContact O-N 2.92Å; Q153-D157 WeakPolarHBondContact O-CB 3.2Å; Q153-D157 PolarHBondContact O-N 3.39Å; Q153-L174 HydrophobicContact CB-CB 4.26Å; Q153-L174 HydrophobicContact CG-CB 4.41Å |
| 154 | E | 93.4 | Very high | 88.3 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 60% | 0.598 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.9 | -44 | -179.7 | -172.8 | 173.4 | -166.6 | 0 | 0 | 112 | C150 R151 F156 D157 I158 | C150-E154 PolarHBondContact O-N 3.05Å; R151-E154 PolarHBondContact O-N 3.29Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 2.87Å; E154-D157 PolarHBondContact O-N 2.69Å; E154-I158 HydrophobicContact CG-CD1 3.97Å; E154-I158 VanDerWaalsContact O-CG1 3.29Å; E154-I158 WeakPolarHBondContact O-CG1 3.4Å; E154-I158 PolarHBondContact O-N 2.8Å |
| 155 | E | 93.6 | Very high | 87.6 | Confident | 117 Ų | 117 | 79.2 Ų | 79.2 | 55% | 0.547 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 174.6 | -74.7 | 173.5 | -173.4 | 0 | 0 | 111.6 | R151 A159 | R151-E155 WeakPolarHBondContact CD-OE1 3.34Å; R151-E155 HydrophobicContact CG-CG 4.37Å; R151-E155 WeakPolarHBondContact CG-OE1 3.47Å; R151-E155 WeakPolarHBondContact O-CB 3.15Å; R151-E155 VanDerWaalsContact O-CG 3.31Å; R151-E155 WeakPolarHBondContact O-CG 3.38Å; R151-E155 PolarHBondContact O-N 3.32Å; E155-A159 VanDerWaalsContact O-CB 3.23Å; E155-A159 WeakPolarHBondContact O-CB 3.5Å; E155-A159 PolarHBondContact O-N 3.36Å |
| 156 | F | 91.1 | Very high | 87.1 | Confident | 30 Ų | 30 | 80.3 Ų | 80.3 | 13% | 0.132 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 176 | -176.5 | -90.8 | 0 | 0 | 0 | 112.1 | K152 Q153 E154 I158 A159 N160 N167 I170 K171 L174 | K152-F156 VanDerWaalsContact O-CB 3.28Å; K152-F156 WeakPolarHBondContact O-CB 3.42Å; K152-F156 PolarHBondContact O-N 3.17Å; Q153-F156 PolarHBondContact O-N 2.92Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 2.87Å; F156-I158 VanDerWaalsContact C-N 3.34Å; F156-I158 PolarHBondContact O-N 3.39Å; F156-A159 PolarHBondContact O-N 3.44Å; F156-N160 WeakPolarHBondContact CD2-ND2 3.34Å; F156-N160 HydrophobicContact CE1-CB 4.17Å; F156-N160 HydrophobicContact CE2-CB 4.31Å; F156-N160 WeakPolarHBondContact CE2-ND2 3.43Å; F156-N160 HydrophobicContact CZ-CB 4.03Å; F156-N160 WeakPolarHBondContact O-CB 3.34Å; F156-N160 PolarHBondContact O-N 3.27Å; F156-N160 PolarHBondContact O-ND2 3.02Å; F156-N167 HydrophobicContact CZ-CB 4.08Å; F156-N167 WeakPolarHBondContact CZ-O 3.14Å; F156-I170 HydrophobicContact CD2-CG2 3.73Å; F156-I170 HydrophobicContact CE1-CG2 4.38Å; F156-I170 HydrophobicContact CE2-CB 3.86Å; F156-I170 HydrophobicContact CE2-CD1 4.27Å; F156-I170 HydrophobicContact CE2-CG2 3.35Å; F156-I170 HydrophobicContact CG-CG2 4.38Å; F156-I170 HydrophobicContact CZ-CB 3.78Å; F156-I170 HydrophobicContact CZ-CG2 3.73Å; F156-K171 HydrophobicContact CD1-CB 4.32Å; F156-K171 HydrophobicContact CE1-CB 3.87Å; F156-L174 HydrophobicContact CB-CD1 3.51Å; F156-L174 HydrophobicContact CD1-CD1 4.18Å; F156-L174 HydrophobicContact CD2-CD1 4.17Å; F156-L174 HydrophobicContact CG-CD1 3.68Å |
| 157 | D | 88 | Confident | 86.5 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 28% | 0.283 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.8 | -36 | 179 | -84.5 | -2.8 | 0 | 0 | 0 | 112.3 | Q153 E154 K171 | Q153-D157 WeakPolarHBondContact O-CB 3.2Å; Q153-D157 PolarHBondContact O-N 3.39Å; E154-D157 PolarHBondContact O-N 2.69Å; D157-K171 WeakPolarHBondContact OD1-CE 3.32Å; D157-K171 IonicContact OD1-NZ 2.7Å; D157-K171 PolarHBondContact OD1-NZ 2.99Å; D157-K171 IonicContact OD2-NZ 2.78Å; D157-K171 PolarHBondContact OD2-NZ 3.25Å |
| 158 | I | 87.5 | Confident | 86 | Confident | 123 Ų | 123 | 84.2 Ų | 84.2 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.3 | -43 | 173.8 | -67.6 | 166.7 | 0 | 0 | 0 | 111 | E154 F156 | E154-I158 HydrophobicContact CG-CD1 3.97Å; E154-I158 VanDerWaalsContact O-CG1 3.29Å; E154-I158 WeakPolarHBondContact O-CG1 3.4Å; E154-I158 PolarHBondContact O-N 2.8Å; F156-I158 VanDerWaalsContact C-N 3.34Å; F156-I158 PolarHBondContact O-N 3.39Å |
| 159 | A | 85.4 | Confident | 85.7 | Confident | 75 Ų | 75 | 85.1 Ų | 85.1 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -77.4 | -25.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | E155 F156 | E155-A159 VanDerWaalsContact O-CB 3.23Å; E155-A159 WeakPolarHBondContact O-CB 3.5Å; E155-A159 PolarHBondContact O-N 3.36Å; F156-A159 PolarHBondContact O-N 3.44Å |
| 160 | N | 78.8 | Confident | 85.4 | Confident | 63 Ų | 63 | 88.6 Ų | 88.6 | 34% | 0.337 | 48% | 0.482 | S | S | . | . | trans | -127.8 | 89 | -169.4 | -66.6 | -77.7 | 0 | 0 | 0 | 113.1 | F156 | F156-N160 WeakPolarHBondContact CD2-ND2 3.34Å; F156-N160 HydrophobicContact CE1-CB 4.17Å; F156-N160 HydrophobicContact CE2-CB 4.31Å; F156-N160 WeakPolarHBondContact CE2-ND2 3.43Å; F156-N160 HydrophobicContact CZ-CB 4.03Å; F156-N160 WeakPolarHBondContact O-CB 3.34Å; F156-N160 PolarHBondContact O-N 3.27Å; F156-N160 PolarHBondContact O-ND2 3.02Å | ||
| 161 | N | 65.4 | Low | 85.1 | Confident | 158 Ų | 158 | 90.5 Ų | 90.5 | 85% | 0.845 | 49% | 0.485 | S | S | * | . | trans | -88.4 | 6.1 | 173.2 | -76.7 | -30.7 | 0 | 0 | 0 | 114.5 | ||||
| 162 | G | 63.6 | Low | 84.9 | Confident | 45 Ų | 45 | 88 Ų | 88 | 46% | 0.464 | 48% | 0.479 | S | S | . | . | trans | -95.9 | 138.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S164 N167 | G162-S164 PolarHBondContact O-N 3.3Å; G162-N167 PolarHBondContact O-ND2 3.44Å | ||
| 163 | S | 64.8 | Low | 84.9 | Confident | 133 Ų | 133 | 88.8 Ų | 88.8 | 93% | 0.93 | 48% | 0.484 | S | S | * | . | trans | -78.1 | 29.8 | -175.2 | 57.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 164 | S | 81.1 | Confident | 85 | Confident | 52 Ų | 52 | 88.3 Ų | 88.3 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | trans | -72.3 | 143.6 | 177.5 | 86.5 | 0 | 0 | 0 | 0 | 110.9 | G162 A166 N167 K168 | G162-S164 PolarHBondContact O-N 3.3Å; S164-A166 PolarHBondContact O-N 2.95Å; S164-N167 PolarHBondContact O-N 3.33Å; S164-N167 VanDerWaalsContact O-N 3.15Å; S164-N167 WeakPolarHBondContact OG-CB 3.34Å; S164-N167 PolarHBondContact OG-N 3.16Å; S164-N167 VanDerWaalsContact OG-N 3.13Å; S164-N167 PolarHBondContact OG-ND2 3.28Å; S164-N167 PolarHBondContact OG-OD1 3.17Å; S164-K168 PolarHBondContact O-N 2.84Å; S164-K168 VanDerWaalsContact O-N 3.1Å | ||
| 165 | Q | 82.7 | Confident | 85.1 | Confident | 159 Ų | 159 | 85.8 Ų | 85.8 | 74% | 0.743 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.9 | -35.5 | 177.9 | -174.8 | 177 | 3.6 | 0 | 0 | 112 | K168 L169 | Q165-K168 PolarHBondContact O-N 2.88Å; Q165-L169 WeakPolarHBondContact O-CG 3.42Å; Q165-L169 PolarHBondContact O-N 3.24Å; Q165-L169 VanDerWaalsContact O-N 3.17Å |
| 166 | A | 84.7 | Confident | 85.2 | Confident | 60 Ų | 60 | 83.1 Ų | 83.1 | 50% | 0.496 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S164 K168 L169 I170 | S164-A166 PolarHBondContact O-N 2.95Å; A166-K168 VanDerWaalsContact C-N 3.3Å; A166-K168 PolarHBondContact O-N 2.95Å; A166-L169 PolarHBondContact O-N 3.46Å; A166-I170 WeakPolarHBondContact O-CG1 3.35Å; A166-I170 PolarHBondContact O-N 2.7Å; A166-I170 VanDerWaalsContact O-N 3.16Å |
| 167 | N | 85 | Confident | 85.4 | Confident | 39 Ų | 39 | 84.8 Ų | 84.8 | 21% | 0.209 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65.9 | -35 | 177.7 | -71.5 | -2.8 | 0 | 0 | 0 | 112 | F156 G162 S164 I170 K171 | F156-N167 HydrophobicContact CZ-CB 4.08Å; F156-N167 WeakPolarHBondContact CZ-O 3.14Å; G162-N167 PolarHBondContact O-ND2 3.44Å; S164-N167 PolarHBondContact O-N 3.33Å; S164-N167 VanDerWaalsContact O-N 3.15Å; S164-N167 WeakPolarHBondContact OG-CB 3.34Å; S164-N167 PolarHBondContact OG-N 3.16Å; S164-N167 VanDerWaalsContact OG-N 3.13Å; S164-N167 PolarHBondContact OG-ND2 3.28Å; S164-N167 PolarHBondContact OG-OD1 3.17Å; N167-I170 PolarHBondContact O-N 2.96Å; N167-K171 WeakPolarHBondContact O-CB 3.34Å; N167-K171 PolarHBondContact O-N 3.43Å |
| 168 | K | 86.4 | Confident | 85.8 | Confident | 133 Ų | 133 | 82.8 Ų | 82.8 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 175.7 | -166.8 | -174.6 | -178.7 | -156.8 | 0 | 111.9 | S164 Q165 A166 K171 E172 | S164-K168 PolarHBondContact O-N 2.84Å; S164-K168 VanDerWaalsContact O-N 3.1Å; Q165-K168 PolarHBondContact O-N 2.88Å; A166-K168 VanDerWaalsContact C-N 3.3Å; A166-K168 PolarHBondContact O-N 2.95Å; K168-K171 PolarHBondContact O-N 3.42Å; K168-E172 WeakPolarHBondContact CE-OE1 3.43Å; K168-E172 IonicContact NZ-OE1 2.81Å; K168-E172 WeakPolarHBondContact O-CG 3.24Å; K168-E172 PolarHBondContact O-N 3.31Å |
| 169 | L | 90.6 | Very high | 86.3 | Confident | 104 Ų | 104 | 82.1 Ų | 82.1 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 178.1 | -69 | 172.4 | 0 | 0 | 0 | 112.1 | Q165 A166 E172 E173 | Q165-L169 WeakPolarHBondContact O-CG 3.42Å; Q165-L169 PolarHBondContact O-N 3.24Å; Q165-L169 VanDerWaalsContact O-N 3.17Å; A166-L169 PolarHBondContact O-N 3.46Å; L169-E172 PolarHBondContact O-N 2.78Å; L169-E173 WeakPolarHBondContact O-CB 3.48Å; L169-E173 PolarHBondContact O-N 3.38Å |
| 170 | I | 90.3 | Very high | 86.8 | Confident | 79 Ų | 79 | 82.8 Ų | 82.8 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.6 | -63.1 | 165.4 | 0 | 0 | 0 | 110.8 | F156 A166 N167 E173 L174 | F156-I170 HydrophobicContact CD2-CG2 3.73Å; F156-I170 HydrophobicContact CE1-CG2 4.38Å; F156-I170 HydrophobicContact CE2-CB 3.86Å; F156-I170 HydrophobicContact CE2-CD1 4.27Å; F156-I170 HydrophobicContact CE2-CG2 3.35Å; F156-I170 HydrophobicContact CG-CG2 4.38Å; F156-I170 HydrophobicContact CZ-CB 3.78Å; F156-I170 HydrophobicContact CZ-CG2 3.73Å; A166-I170 WeakPolarHBondContact O-CG1 3.35Å; A166-I170 PolarHBondContact O-N 2.7Å; A166-I170 VanDerWaalsContact O-N 3.16Å; N167-I170 PolarHBondContact O-N 2.96Å; I170-E173 PolarHBondContact O-N 2.84Å; I170-L174 HydrophobicContact CG2-CD1 4.05Å; I170-L174 WeakPolarHBondContact O-CG 3.34Å; I170-L174 PolarHBondContact O-N 3.41Å |
| 171 | K | 89.6 | Confident | 87.7 | Confident | 92 Ų | 92 | 81.3 Ų | 81.3 | 40% | 0.4 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.8 | -174.7 | 171 | 177.1 | 122.5 | 0 | 112.1 | F156 D157 N167 K168 E173 L174 Q175 | F156-K171 HydrophobicContact CD1-CB 4.32Å; F156-K171 HydrophobicContact CE1-CB 3.87Å; D157-K171 WeakPolarHBondContact OD1-CE 3.32Å; D157-K171 IonicContact OD1-NZ 2.7Å; D157-K171 PolarHBondContact OD1-NZ 2.99Å; D157-K171 IonicContact OD2-NZ 2.78Å; D157-K171 PolarHBondContact OD2-NZ 3.25Å; N167-K171 WeakPolarHBondContact O-CB 3.34Å; N167-K171 PolarHBondContact O-N 3.43Å; K168-K171 PolarHBondContact O-N 3.42Å; K171-E173 VanDerWaalsContact C-N 3.32Å; K171-E173 PolarHBondContact O-N 3.26Å; K171-L174 PolarHBondContact O-N 3.32Å; K171-Q175 VanDerWaalsContact O-CB 3.31Å; K171-Q175 WeakPolarHBondContact O-CB 3.29Å; K171-Q175 PolarHBondContact O-N 3.07Å |
| 172 | E | 92.6 | Very high | 89.1 | Confident | 87 Ų | 87 | 76.8 Ų | 76.8 | 41% | 0.407 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 176.5 | -76.3 | 173.3 | -175.6 | 0 | 0 | 111.5 | K168 L169 S176 | K168-E172 WeakPolarHBondContact CE-OE1 3.43Å; K168-E172 IonicContact NZ-OE1 2.81Å; K168-E172 WeakPolarHBondContact O-CG 3.24Å; K168-E172 PolarHBondContact O-N 3.31Å; L169-E172 PolarHBondContact O-N 2.78Å; E172-S176 VanDerWaalsContact O-CB 3.26Å; E172-S176 WeakPolarHBondContact O-CB 3.24Å; E172-S176 PolarHBondContact O-N 2.94Å; E172-S176 PolarHBondContact O-OG 2.84Å |
| 173 | E | 95.3 | Very high | 90.7 | Very high | 106 Ų | 106 | 76.3 Ų | 76.3 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 174.6 | 175.3 | 58.8 | -153.2 | 0 | 0 | 112 | L169 I170 K171 Q175 S176 Q177 | L169-E173 WeakPolarHBondContact O-CB 3.48Å; L169-E173 PolarHBondContact O-N 3.38Å; I170-E173 PolarHBondContact O-N 2.84Å; K171-E173 VanDerWaalsContact C-N 3.32Å; K171-E173 PolarHBondContact O-N 3.26Å; E173-Q175 PolarHBondContact O-N 2.9Å; E173-S176 WeakPolarHBondContact O-CB 3.5Å; E173-S176 PolarHBondContact O-N 3.06Å; E173-S176 VanDerWaalsContact O-N 3.16Å; E173-Q177 WeakPolarHBondContact O-CG 3.35Å; E173-Q177 PolarHBondContact O-N 3.24Å; E173-Q177 PolarHBondContact OE1-NE2 3.27Å |
| 174 | L | 94.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 74.7 Ų | 74.7 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 179.5 | -69.9 | 169.9 | 0 | 0 | 0 | 112.2 | K152 Q153 F156 I170 K171 Q177 V178 | K152-L174 HydrophobicContact CB-CD2 3.95Å; Q153-L174 HydrophobicContact CB-CB 4.26Å; Q153-L174 HydrophobicContact CG-CB 4.41Å; F156-L174 HydrophobicContact CB-CD1 3.51Å; F156-L174 HydrophobicContact CD1-CD1 4.18Å; F156-L174 HydrophobicContact CD2-CD1 4.17Å; F156-L174 HydrophobicContact CG-CD1 3.68Å; I170-L174 HydrophobicContact CG2-CD1 4.05Å; I170-L174 WeakPolarHBondContact O-CG 3.34Å; I170-L174 PolarHBondContact O-N 3.41Å; K171-L174 PolarHBondContact O-N 3.32Å; L174-Q177 PolarHBondContact O-N 3.07Å; L174-V178 PolarHBondContact O-N 3.32Å |
| 175 | Q | 95 | Very high | 92.7 | Very high | 74 Ų | 74 | 74.9 Ų | 74.9 | 35% | 0.346 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 173 | 178.7 | 67.3 | 44 | 0 | 0 | 110.9 | K171 E173 Q177 V178 E179 | K171-Q175 VanDerWaalsContact O-CB 3.31Å; K171-Q175 WeakPolarHBondContact O-CB 3.29Å; K171-Q175 PolarHBondContact O-N 3.07Å; E173-Q175 PolarHBondContact O-N 2.9Å; Q175-Q177 VanDerWaalsContact C-N 3.31Å; Q175-Q177 PolarHBondContact O-N 3.44Å; Q175-V178 PolarHBondContact O-N 3.36Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.29Å; Q175-E179 PolarHBondContact NE2-OE1 3.47Å; Q175-E179 WeakPolarHBondContact O-CG 3.3Å; Q175-E179 PolarHBondContact O-N 2.9Å |
| 176 | S | 96.3 | Very high | 93.2 | Very high | 61 Ų | 61 | 76 Ų | 76 | 43% | 0.427 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | E172 E173 E179 L180 | E172-S176 VanDerWaalsContact O-CB 3.26Å; E172-S176 WeakPolarHBondContact O-CB 3.24Å; E172-S176 PolarHBondContact O-N 2.94Å; E172-S176 PolarHBondContact O-OG 2.84Å; E173-S176 WeakPolarHBondContact O-CB 3.5Å; E173-S176 PolarHBondContact O-N 3.06Å; E173-S176 VanDerWaalsContact O-N 3.16Å; S176-E179 PolarHBondContact O-N 2.95Å; S176-L180 WeakPolarHBondContact O-CB 3.47Å; S176-L180 PolarHBondContact O-N 2.88Å |
| 177 | Q | 96.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 80.8 Ų | 80.8 | 31% | 0.308 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 174.9 | -72.6 | 176.1 | 10.5 | 0 | 0 | 111.8 | E173 L174 Q175 L180 L181 | E173-Q177 WeakPolarHBondContact O-CG 3.35Å; E173-Q177 PolarHBondContact O-N 3.24Å; E173-Q177 PolarHBondContact OE1-NE2 3.27Å; L174-Q177 PolarHBondContact O-N 3.07Å; Q175-Q177 VanDerWaalsContact C-N 3.31Å; Q175-Q177 PolarHBondContact O-N 3.44Å; Q177-L180 PolarHBondContact O-N 3.08Å; Q177-L181 WeakPolarHBondContact O-CG 3.17Å; Q177-L181 PolarHBondContact O-N 2.86Å |
| 178 | V | 96.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 82 Ų | 82 | 7% | 0.067 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65 | -43 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111.1 | L146 A149 L174 Q175 L180 L181 N182 | L146-V178 HydrophobicContact CD1-CG1 4.32Å; A149-V178 HydrophobicContact CB-CG2 3.89Å; L174-V178 PolarHBondContact O-N 3.32Å; Q175-V178 PolarHBondContact O-N 3.36Å; V178-L180 PolarHBondContact O-N 2.89Å; V178-L181 PolarHBondContact O-N 3.25Å; V178-N182 WeakPolarHBondContact CG1-ND2 3.29Å; V178-N182 WeakPolarHBondContact O-CB 3.41Å; V178-N182 PolarHBondContact O-N 2.77Å; V178-N182 PolarHBondContact O-ND2 3.08Å |
| 179 | E | 96.8 | Very high | 93.9 | Very high | 109 Ų | 109 | 79.5 Ų | 79.5 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 176 | -74.5 | 177.3 | -168.5 | 0 | 0 | 112.3 | Q175 S176 N182 S183 | Q175-E179 WeakPolarHBondContact CG-OE1 3.29Å; Q175-E179 PolarHBondContact NE2-OE1 3.47Å; Q175-E179 WeakPolarHBondContact O-CG 3.3Å; Q175-E179 PolarHBondContact O-N 2.9Å; S176-E179 PolarHBondContact O-N 2.95Å; E179-N182 PolarHBondContact O-N 2.72Å; E179-S183 VanDerWaalsContact O-CB 3.28Å; E179-S183 WeakPolarHBondContact O-CB 3.41Å; E179-S183 PolarHBondContact O-N 3.37Å |
| 180 | L | 96.6 | Very high | 94 | Very high | 89 Ų | 89 | 75.2 Ų | 75.2 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 177.2 | -177.5 | 64.4 | 0 | 0 | 0 | 111.4 | S176 Q177 V178 S183 F184 | S176-L180 WeakPolarHBondContact O-CB 3.47Å; S176-L180 PolarHBondContact O-N 2.88Å; Q177-L180 PolarHBondContact O-N 3.08Å; V178-L180 PolarHBondContact O-N 2.89Å; L180-S183 WeakPolarHBondContact O-CB 3.42Å; L180-S183 PolarHBondContact O-N 3.21Å; L180-S183 VanDerWaalsContact O-N 3.16Å; L180-F184 HydrophobicContact CD1-CD1 4.35Å; L180-F184 HydrophobicContact CD1-CE1 3.72Å; L180-F184 HydrophobicContact CD1-CE2 4.17Å; L180-F184 HydrophobicContact CD1-CZ 3.62Å; L180-F184 HydrophobicContact CD2-CE2 4.11Å; L180-F184 HydrophobicContact CD2-CZ 4.08Å; L180-F184 HydrophobicContact CG-CD2 4.33Å; L180-F184 HydrophobicContact CG-CE1 4.26Å; L180-F184 HydrophobicContact CG-CE2 3.81Å; L180-F184 HydrophobicContact CG-CZ 3.77Å; L180-F184 WeakPolarHBondContact O-CG 3.37Å; L180-F184 PolarHBondContact O-N 3.34Å |
| 181 | L | 96.4 | Very high | 93.9 | Very high | 32 Ų | 32 | 75.4 Ų | 75.4 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.8 | -71.5 | 170.3 | 0 | 0 | 0 | 111.1 | H142 A145 L146 A149 Q177 V178 S183 F184 E185 | H142-L181 PolarHBondContact CE1-O 2.87Å; A145-L181 HydrophobicContact CB-CD2 4.46Å; L146-L181 HydrophobicContact CB-CD1 4.49Å; L146-L181 HydrophobicContact CD1-CB 3.82Å; L146-L181 HydrophobicContact CD1-CD1 4.32Å; A149-L181 HydrophobicContact CB-CD1 3.66Å; Q177-L181 WeakPolarHBondContact O-CG 3.17Å; Q177-L181 PolarHBondContact O-N 2.86Å; V178-L181 PolarHBondContact O-N 3.25Å; L181-S183 VanDerWaalsContact C-N 3.27Å; L181-S183 PolarHBondContact O-N 2.96Å; L181-F184 PolarHBondContact O-N 2.78Å; L181-F184 VanDerWaalsContact O-N 3.15Å; L181-E185 PolarHBondContact O-N 2.85Å |
| 182 | N | 96.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 71.4 Ų | 71.4 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -36.7 | 173.7 | -79.5 | -60.8 | 0 | 0 | 0 | 112.7 | V178 E179 K186 | V178-N182 WeakPolarHBondContact CG1-ND2 3.29Å; V178-N182 WeakPolarHBondContact O-CB 3.41Å; V178-N182 PolarHBondContact O-N 2.77Å; V178-N182 PolarHBondContact O-ND2 3.08Å; E179-N182 PolarHBondContact O-N 2.72Å; N182-K186 WeakPolarHBondContact O-CG 3.41Å; N182-K186 PolarHBondContact O-N 3.44Å; N182-K186 VanDerWaalsContact O-N 3.09Å |
| 183 | S | 95.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 67.3 Ų | 67.3 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 175.3 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | E179 L180 L181 K186 K187 | E179-S183 VanDerWaalsContact O-CB 3.28Å; E179-S183 WeakPolarHBondContact O-CB 3.41Å; E179-S183 PolarHBondContact O-N 3.37Å; L180-S183 WeakPolarHBondContact O-CB 3.42Å; L180-S183 PolarHBondContact O-N 3.21Å; L180-S183 VanDerWaalsContact O-N 3.16Å; L181-S183 VanDerWaalsContact C-N 3.27Å; L181-S183 PolarHBondContact O-N 2.96Å; S183-K186 PolarHBondContact O-N 3.09Å; S183-K187 VanDerWaalsContact O-CB 3.29Å; S183-K187 WeakPolarHBondContact O-CB 3.35Å; S183-K187 WeakPolarHBondContact O-CG 3.22Å; S183-K187 PolarHBondContact O-N 3.01Å |
| 184 | F | 94.2 | Very high | 93.8 | Very high | 98 Ų | 98 | 64.5 Ų | 64.5 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.2 | -70 | -22 | 0 | 0 | 0 | 112.6 | W138 L180 L181 K187 Y188 | W138-F184 HydrophobicContact CH2-CB 3.8Å; W138-F184 HydrophobicContact CZ2-CB 3.91Å; L180-F184 HydrophobicContact CD1-CD1 4.35Å; L180-F184 HydrophobicContact CD1-CE1 3.72Å; L180-F184 HydrophobicContact CD1-CE2 4.17Å; L180-F184 HydrophobicContact CD1-CZ 3.62Å; L180-F184 HydrophobicContact CD2-CE2 4.11Å; L180-F184 HydrophobicContact CD2-CZ 4.08Å; L180-F184 HydrophobicContact CG-CD2 4.33Å; L180-F184 HydrophobicContact CG-CE1 4.26Å; L180-F184 HydrophobicContact CG-CE2 3.81Å; L180-F184 HydrophobicContact CG-CZ 3.77Å; L180-F184 WeakPolarHBondContact O-CG 3.37Å; L180-F184 PolarHBondContact O-N 3.34Å; L181-F184 PolarHBondContact O-N 2.78Å; L181-F184 VanDerWaalsContact O-N 3.15Å; F184-K187 CarbonylContact O-C 3.5Å; F184-K187 PolarHBondContact O-N 3.14Å; F184-Y188 WeakPolarHBondContact O-CA 3.34Å; F184-Y188 PolarHBondContact O-N 3.41Å |
| 185 | E | 94.1 | Very high | 93.9 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 173.9 | 179.7 | 55.9 | -150.7 | 0 | 0 | 111.6 | K134 W138 H142 L181 K187 Y188 | K134-E185 VanDerWaalsContact CE-OE1 3.25Å; K134-E185 WeakPolarHBondContact CE-OE1 3.32Å; K134-E185 IonicContact NZ-OE1 3.42Å; K134-E185 PolarHBondContact NZ-OE1 3Å; W138-E185 PolarHBondContact NE1-OE2 2.78Å; H142-E185 IonicContact CD2-OE2 3.27Å; H142-E185 PolarHBondContact CD2-OE2 2.94Å; H142-E185 IonicContact CG-OE2 3.55Å; H142-E185 IonicContact NE2-OE2 2.7Å; L181-E185 PolarHBondContact O-N 2.85Å; E185-K187 VanDerWaalsContact C-N 3.28Å; E185-K187 PolarHBondContact O-N 3.37Å; E185-Y188 WeakPolarHBondContact O-CB 3.5Å; E185-Y188 PolarHBondContact O-N 2.9Å |
| 186 | K | 93.2 | Very high | 94 | Very high | 184 Ų | 184 | 60.2 Ų | 60.2 | 80% | 0.8 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65 | -31.2 | 179.6 | -73.2 | 175 | -177.5 | 177 | 0 | 113 | N182 S183 | N182-K186 WeakPolarHBondContact O-CG 3.41Å; N182-K186 PolarHBondContact O-N 3.44Å; N182-K186 VanDerWaalsContact O-N 3.09Å; S183-K186 PolarHBondContact O-N 3.09Å |
| 187 | K | 91.4 | Very high | 94.1 | Very high | 159 Ų | 159 | 57.3 Ų | 57.3 | 69% | 0.691 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 14.1 | -178.1 | -63 | 179 | -179.5 | 175.5 | 0 | 112.8 | S183 F184 E185 S189 | S183-K187 VanDerWaalsContact O-CB 3.29Å; S183-K187 WeakPolarHBondContact O-CB 3.35Å; S183-K187 WeakPolarHBondContact O-CG 3.22Å; S183-K187 PolarHBondContact O-N 3.01Å; F184-K187 CarbonylContact O-C 3.5Å; F184-K187 PolarHBondContact O-N 3.14Å; E185-K187 VanDerWaalsContact C-N 3.28Å; E185-K187 PolarHBondContact O-N 3.37Å; K187-S189 PolarHBondContact O-N 3.18Å |
| 188 | Y | 91.3 | Very high | 94.1 | Very high | 65 Ų | 65 | 54.1 Ų | 54.1 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | trans | -56.6 | 128.4 | 179.3 | 176.4 | -98.4 | 0 | 0 | 0 | 109.5 | K134 W138 F184 E185 D190 | K134-Y188 HydrophobicContact CB-CD1 4.45Å; K134-Y188 HydrophobicContact CB-CE1 3.75Å; K134-Y188 HydrophobicContact CD-CD1 3.97Å; K134-Y188 HydrophobicContact CD-CE1 4.13Å; K134-Y188 HydrophobicContact CG-CD1 4.12Å; K134-Y188 HydrophobicContact CG-CE1 3.85Å; W138-Y188 HydrophobicContact CB-CD2 4.22Å; W138-Y188 HydrophobicContact CB-CE2 3.61Å; W138-Y188 AromaticContact CD1-CD2 3.98Å; W138-Y188 AromaticContact CD2-CD2 3.44Å; W138-Y188 HydrophobicContact CD2-CD2 3.44Å; W138-Y188 VanDerWaalsContact CD2-CD2 3.44Å; W138-Y188 AromaticContact CD2-CE2 3.62Å; W138-Y188 HydrophobicContact CD2-CE2 3.62Å; W138-Y188 HydrophobicContact CD2-CG 4.45Å; W138-Y188 AromaticContact CE2-CD2 3.75Å; W138-Y188 AromaticContact CE3-CD2 3.83Å; W138-Y188 HydrophobicContact CE3-CD2 3.83Å; W138-Y188 AromaticContact CE3-CE2 3.82Å; W138-Y188 HydrophobicContact CE3-CE2 3.82Å; W138-Y188 AromaticContact CG-CD2 3.61Å; W138-Y188 HydrophobicContact CG-CD2 3.61Å; W138-Y188 AromaticContact CG-CE2 3.52Å; W138-Y188 HydrophobicContact CG-CE2 3.52Å; W138-Y188 HydrophobicContact CG-CG 4.4Å; W138-Y188 HydrophobicContact CZ2-CD2 4.37Å; W138-Y188 HydrophobicContact CZ3-CD2 4.43Å; F184-Y188 WeakPolarHBondContact O-CA 3.34Å; F184-Y188 PolarHBondContact O-N 3.41Å; E185-Y188 WeakPolarHBondContact O-CB 3.5Å; E185-Y188 PolarHBondContact O-N 2.9Å; Y188-D190 HydrophobicContact CE1-CB 4.19Å | ||
| 189 | S | 89.3 | Confident | 94.2 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 56% | 0.559 | 27% | 0.273 | S | S | * | . | trans | -137 | 123.9 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | K187 P191 | K187-S189 PolarHBondContact O-N 3.18Å; S189-P191 WeakPolarHBondContact O-CD 3.31Å | ||
| 190 | D | 91.6 | Very high | 94.2 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | trans | -94 | 110.3 | 171.7 | 176.8 | 24.2 | 0 | 0 | 0 | 108.9 | Y118 Q130 R133 Y188 G192 | Y118-D190 WeakPolarHBondContact CE2-O 3.33Å; Y118-D190 PolarHBondContact OH-OD2 3.33Å; Q130-D190 HydrophobicContact CG-CB 4.23Å; R133-D190 VanDerWaalsContact CD-OD2 3.31Å; R133-D190 WeakPolarHBondContact CD-OD2 3.42Å; R133-D190 IonicContact NE-OD1 2.63Å; R133-D190 PolarHBondContact NE-OD1 3.24Å; R133-D190 IonicContact NE-OD2 3.5Å; R133-D190 PolarHBondContact NE-OD2 3.28Å; Y188-D190 HydrophobicContact CE1-CB 4.19Å; D190-G192 PolarHBondContact O-N 3.08Å; D190-G192 PolarHBondContact OD1-N 2.87Å; D190-G192 VanDerWaalsContact OD1-N 3.09Å | ||
| 191 | P | 87.8 | Confident | 94.3 | Very high | 83 Ų | 83 | 47 Ų | 47 | 54% | 0.539 | 24% | 0.239 | S | C | . | . | trans | -70.5 | -10.6 | 179 | 31 | -35.5 | 0 | 0 | 0 | 112.7 | N116 S189 | N116-P191 PolarHBondContact ND2-O 3.08Å; S189-P191 WeakPolarHBondContact O-CD 3.31Å | ||
| 192 | G | 90.7 | Very high | 94.2 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | trans | 82.9 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D190 | D190-G192 PolarHBondContact O-N 3.08Å; D190-G192 PolarHBondContact OD1-N 2.87Å; D190-G192 VanDerWaalsContact OD1-N 3.09Å | ||
| 193 | P | 92.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -72.2 | 145.3 | 177.4 | 31.5 | -34.5 | 0 | 0 | 0 | 110.9 | N116 G117 Y195 E214 | N116-P193 PolarHBondContact OD1-O 3.41Å; G117-P193 PolarHBondContact N-O 3.45Å; P193-Y195 HydrophobicContact CB-CE1 3.9Å; P193-Y195 HydrophobicContact CB-CE2 4.34Å; P193-Y195 HydrophobicContact CG-CE1 4.49Å; P193-Y195 HydrophobicContact CG-CE2 4.15Å; P193-Y195 WeakPolarHBondContact CG-OH 3.48Å; P193-E214 WeakPolarHBondContact CA-OE2 3.17Å; P193-E214 VanDerWaalsContact CB-CD 3.48Å; P193-E214 HydrophobicContact CB-CG 4.35Å; P193-E214 VanDerWaalsContact CB-OE2 3.32Å; P193-E214 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 194 | V | 93.6 | Very high | 94.1 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.8 | 174.8 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | R95 I114 | R95-V194 PolarHBondContact NH1-O 2.87Å; R95-V194 PolarHBondContact NH2-O 2.96Å; I114-V194 HydrophobicContact CD1-CG1 3.47Å; I114-V194 VanDerWaalsContact CD1-CG1 3.47Å; I114-V194 HydrophobicContact CG1-CG1 3.5Å |
| 195 | Y | 95.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.2 | -175.8 | -57.1 | -51.9 | 0 | 0 | 0 | 110.7 | I114 K115 F120 Y121 P193 V210 D211 E214 F236 | I114-Y195 WeakPolarHBondContact CA-O 3.4Å; K115-Y195 PolarHBondContact N-O 3.1Å; K115-Y195 PolarHBondContact O-N 3.38Å; F120-Y195 HydrophobicContact CE1-CD2 4.32Å; F120-Y195 AromaticContact CZ-CD2 3.87Å; F120-Y195 HydrophobicContact CZ-CD2 3.87Å; F120-Y195 AromaticContact CZ-CE2 3.84Å; F120-Y195 HydrophobicContact CZ-CE2 3.84Å; Y121-Y195 PolarHBondContact OH-OH 3.43Å; P193-Y195 HydrophobicContact CB-CE1 3.9Å; P193-Y195 HydrophobicContact CB-CE2 4.34Å; P193-Y195 HydrophobicContact CG-CE1 4.49Å; P193-Y195 HydrophobicContact CG-CE2 4.15Å; P193-Y195 WeakPolarHBondContact CG-OH 3.48Å; Y195-V210 HydrophobicContact CD2-CG1 4.49Å; Y195-V210 HydrophobicContact CG-CG1 4.08Å; Y195-D211 VanDerWaalsContact CD1-O 3.25Å; Y195-D211 WeakPolarHBondContact CD1-O 3.5Å; Y195-E214 HydrophobicContact CD1-CG 4.28Å; Y195-E214 HydrophobicContact CE1-CG 3.91Å; Y195-F236 HydrophobicContact CD2-CE1 4.18Å; Y195-F236 HydrophobicContact CE2-CD1 4.1Å; Y195-F236 AromaticContact CE2-CE1 3.9Å; Y195-F236 HydrophobicContact CE2-CE1 3.9Å |
| 196 | D | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 137.6 | 163.3 | -67.5 | -80.4 | 0 | 0 | 0 | 108.7 | G91 L92 S93 R95 L97 D211 | G91-D196 WeakPolarHBondContact CA-OD1 3.45Å; L92-D196 PolarHBondContact N-OD1 2.9Å; S93-D196 WeakPolarHBondContact CB-OD2 3.29Å; S93-D196 PolarHBondContact N-OD1 3.48Å; S93-D196 VanDerWaalsContact OG-CG 3.29Å; S93-D196 PolarHBondContact OG-OD1 2.94Å; S93-D196 PolarHBondContact OG-OD2 3.32Å; R95-D196 IonicContact CZ-OD2 3.35Å; R95-D196 IonicContact NE-OD2 2.87Å; R95-D196 PolarHBondContact NE-OD2 2.88Å; R95-D196 IonicContact NH2-OD2 3.67Å; R95-D196 PolarHBondContact NH2-OD2 3.31Å; L97-D196 HydrophobicContact CD1-CB 3.67Å; L97-D196 HydrophobicContact CD2-CB 4.15Å; D196-D211 HydrophobicContact CB-CB 4.25Å; D196-D211 WeakPolarHBondContact O-CB 3.35Å; D196-D211 PolarHBondContact O-N 3.23Å |
| 197 | C | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.6 | 179.8 | -58.2 | 0 | 0 | 0 | 0 | 108.8 | V76 I112 G113 C209 L255 | V76-C197 HydrophobicContact CG1-CB 4.24Å; I112-C197 CarbonylContact C-O 3.59Å; I112-C197 WeakPolarHBondContact CA-O 3.39Å; G113-C197 PolarHBondContact N-O 2.97Å; G113-C197 PolarHBondContact O-N 3.13Å; C197-C209 WeakPolarHBondContact CA-O 3.42Å; C197-L255 HydrophobicContact CB-CD2 3.63Å |
| 198 | L | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.3 | 173 | -70.7 | 79.8 | 0 | 0 | 0 | 109.7 | I89 L97 I99 W103 Y110 H111 I112 W200 A208 C209 L218 | I89-L198 HydrophobicContact CD1-CD2 4.32Å; L97-L198 HydrophobicContact CD1-CD1 3.63Å; I99-L198 HydrophobicContact CD1-CD2 3.49Å; I99-L198 VanDerWaalsContact CD1-CD2 3.49Å; W103-L198 HydrophobicContact CZ3-CD2 4.38Å; Y110-L198 HydrophobicContact CD1-CD2 4.08Å; Y110-L198 HydrophobicContact CG-CD2 4.41Å; H111-L198 CarbonylContact O-C 3.58Å; H111-L198 WeakPolarHBondContact O-CA 3.47Å; I112-L198 HydrophobicContact CG2-CG 4.31Å; L198-W200 HydrophobicContact CB-CZ3 4.49Å; L198-A208 CarbonylContact O-C 2.88Å; L198-A208 WeakPolarHBondContact O-CA 3.32Å; L198-C209 PolarHBondContact N-O 2.83Å; L198-C209 PolarHBondContact O-N 3.28Å; L198-L218 HydrophobicContact CD1-CD1 3.7Å; L198-L218 HydrophobicContact CD2-CD1 3.72Å; L198-L218 HydrophobicContact CG-CD1 4.33Å |
| 199 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.9 | 172.9 | 174.4 | 0 | 0 | 0 | 0 | 109.4 | T78 H111 W206 R207 A208 I248 L255 | T78-V199 HydrophobicContact CG2-CG2 4.26Å; H111-V199 HydrophobicContact CB-CB 3.93Å; H111-V199 WeakPolarHBondContact CB-O 3.37Å; H111-V199 PolarHBondContact N-O 2.84Å; H111-V199 PolarHBondContact O-N 3.37Å; V199-W206 HydrophobicContact CG1-CE3 3.65Å; V199-W206 HydrophobicContact CG1-CZ3 4.01Å; V199-R207 CarbonylContact C-O 3.57Å; V199-R207 VanDerWaalsContact CA-O 3.25Å; V199-R207 WeakPolarHBondContact CA-O 3.38Å; V199-A208 HydrophobicContact CG2-CB 4Å; V199-I248 HydrophobicContact CG1-CD1 4.2Å; V199-I248 HydrophobicContact CG1-CG1 4.42Å; V199-I248 HydrophobicContact CG1-CG2 3.74Å; V199-L255 HydrophobicContact CG2-CB 3.96Å; V199-L255 HydrophobicContact CG2-CD1 4.17Å; V199-L255 HydrophobicContact CG2-CD2 4.16Å; V199-L255 HydrophobicContact CG2-CG 4.33Å |
| 200 | W | 97.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 162.9 | 174.2 | 72 | 100.6 | 0 | 0 | 0 | 111 | W103 T104 N105 Y110 L198 W206 R207 C209 V223 | W103-W200 HydrophobicContact CB-CZ2 4.32Å; W103-W200 AromaticContact CD2-CH2 3.67Å; W103-W200 HydrophobicContact CD2-CH2 3.67Å; W103-W200 AromaticContact CD2-CZ2 3.71Å; W103-W200 HydrophobicContact CD2-CZ2 3.71Å; W103-W200 HydrophobicContact CE3-CE3 4.47Å; W103-W200 AromaticContact CE3-CH2 3.36Å; W103-W200 HydrophobicContact CE3-CH2 3.36Å; W103-W200 AromaticContact CE3-CZ2 3.61Å; W103-W200 HydrophobicContact CE3-CZ2 3.61Å; W103-W200 AromaticContact CE3-CZ3 3.85Å; W103-W200 HydrophobicContact CE3-CZ3 3.85Å; W103-W200 HydrophobicContact CG-CH2 4.45Å; W103-W200 HydrophobicContact CG-CZ2 4.05Å; W103-W200 AromaticContact CH2-CH2 3.83Å; W103-W200 HydrophobicContact CH2-CH2 3.83Å; W103-W200 HydrophobicContact CH2-CZ3 4.1Å; W103-W200 HydrophobicContact CZ2-CH2 4.11Å; W103-W200 HydrophobicContact CZ3-CE3 4.38Å; W103-W200 AromaticContact CZ3-CH2 3.45Å; W103-W200 HydrophobicContact CZ3-CH2 3.45Å; W103-W200 VanDerWaalsContact CZ3-CH2 3.45Å; W103-W200 HydrophobicContact CZ3-CZ2 4.18Å; W103-W200 AromaticContact CZ3-CZ3 3.58Å; W103-W200 HydrophobicContact CZ3-CZ3 3.58Å; T104-W200 VanDerWaalsContact O-CD1 3.3Å; T104-W200 PolarHBondContact O-NE1 3.23Å; N105-W200 HydrophobicContact CB-CG 4.4Å; Y110-W200 HydrophobicContact CD1-CB 3.73Å; Y110-W200 AromaticContact CD1-CD2 3.94Å; Y110-W200 HydrophobicContact CD1-CD2 3.94Å; Y110-W200 AromaticContact CD1-CE3 3.84Å; Y110-W200 HydrophobicContact CD1-CE3 3.84Å; Y110-W200 AromaticContact CD1-CG 3.92Å; Y110-W200 HydrophobicContact CD1-CG 3.92Å; Y110-W200 HydrophobicContact CE1-CB 3.93Å; Y110-W200 AromaticContact CE1-CD2 3.54Å; Y110-W200 HydrophobicContact CE1-CD2 3.54Å; Y110-W200 AromaticContact CE1-CE3 3.73Å; Y110-W200 HydrophobicContact CE1-CE3 3.73Å; Y110-W200 AromaticContact CE1-CG 3.64Å; Y110-W200 HydrophobicContact CE1-CG 3.64Å; Y110-W200 HydrophobicContact CE1-CZ3 4.44Å; Y110-W200 HydrophobicContact CG-CB 4.49Å; L198-W200 HydrophobicContact CB-CZ3 4.49Å; W200-W206 VanDerWaalsContact C-CE3 3.41Å; W200-W206 CarbonylContact O-C 3.59Å; W200-W206 WeakPolarHBondContact O-CA 3.4Å; W200-R207 HydrophobicContact CD2-CB 3.81Å; W200-R207 HydrophobicContact CE3-CB 4.03Å; W200-R207 HydrophobicContact CH2-CB 3.8Å; W200-R207 HydrophobicContact CZ2-CB 3.54Å; W200-R207 HydrophobicContact CZ2-CG 4.02Å; W200-R207 HydrophobicContact CZ3-CB 4.02Å; W200-R207 PolarHBondContact N-O 2.98Å; W200-R207 PolarHBondContact O-N 2.96Å; W200-C209 HydrophobicContact CH2-CB 4.35Å; W200-C209 HydrophobicContact CZ3-CB 4.02Å; W200-V223 HydrophobicContact CH2-CB 4.42Å; W200-V223 HydrophobicContact CH2-CG1 3.55Å; W200-V223 HydrophobicContact CH2-CG2 4.01Å; W200-V223 HydrophobicContact CZ2-CG1 3.84Å |
| 201 | H | 97.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 25.9 Ų | 25.9 | 25% | 0.25 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.2 | 172.5 | -166.9 | -86.3 | 0 | 0 | 0 | 109.3 | P106 G203 W206 | P106-H201 WeakPolarHBondContact CD-O 3.37Å; H201-G203 VanDerWaalsContact C-N 3.28Å; H201-G203 VanDerWaalsContact CE1-C 3.4Å; H201-G203 PolarHBondContact ND1-N 2.88Å; H201-G203 VanDerWaalsContact ND1-N 3.14Å; H201-G203 PolarHBondContact O-N 3.35Å; H201-W206 HydrophobicContact CB-CD2 4.19Å; H201-W206 HydrophobicContact CB-CE3 4.03Å; H201-W206 HydrophobicContact CB-CH2 4.25Å; H201-W206 HydrophobicContact CB-CZ2 4.4Å; H201-W206 HydrophobicContact CB-CZ3 4.06Å; H201-W206 AromaticContact CD2-CD1 3.95Å; H201-W206 AromaticContact CD2-CD2 3.99Å; H201-W206 AromaticContact CD2-CE2 3.88Å; H201-W206 AromaticContact CD2-NE1 3.85Å |
| 202 | D | 95.8 | Very high | 95.9 | Very high | 26 Ų | 26 | 23.1 Ų | 23.1 | 14% | 0.139 | 13% | 0.128 | C | C | . | . | trans | -85.4 | -1.7 | -175.5 | 76.2 | -13.1 | 0 | 0 | 0 | 114.3 | T104 P106 E204 T205 R207 | T104-D202 WeakPolarHBondContact CG2-O 3.45Å; T104-D202 VanDerWaalsContact O-CA 3.3Å; T104-D202 WeakPolarHBondContact O-CA 3.42Å; T104-D202 VanDerWaalsContact O-CB 3.27Å; T104-D202 WeakPolarHBondContact O-CB 3.29Å; P106-D202 VanDerWaalsContact CD-C 3.45Å; P106-D202 WeakPolarHBondContact CD-O 3.47Å; P106-D202 WeakPolarHBondContact CG-O 3.42Å; D202-E204 PolarHBondContact OD1-N 3.1Å; D202-T205 PolarHBondContact N-O 3.46Å; D202-T205 VanDerWaalsContact N-O 3.13Å; D202-T205 PolarHBondContact OD1-N 3.11Å; D202-R207 HydrophobicContact CB-CG 4.17Å; D202-R207 IonicContact OD1-CZ 2.85Å; D202-R207 IonicContact OD1-NH1 2.9Å; D202-R207 IonicContact OD1-NH2 3.72Å; D202-R207 IonicContact OD2-CZ 3.31Å; D202-R207 IonicContact OD2-NE 2.91Å; D202-R207 PolarHBondContact OD2-NE 2.88Å; D202-R207 IonicContact OD2-NH1 3.15Å; D202-R207 PolarHBondContact OD2-NH1 3.48Å; D202-R207 IonicContact OD2-NH2 3.33Å; D202-R207 PolarHBondContact OD2-NH2 2.82Å | ||
| 203 | G | 94.9 | Very high | 95.7 | Very high | 49 Ų | 49 | 25.1 Ų | 25.1 | 51% | 0.505 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 109.7 | -21.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H201 | H201-G203 VanDerWaalsContact C-N 3.28Å; H201-G203 VanDerWaalsContact CE1-C 3.4Å; H201-G203 PolarHBondContact ND1-N 2.88Å; H201-G203 VanDerWaalsContact ND1-N 3.14Å; H201-G203 PolarHBondContact O-N 3.35Å |
| 204 | E | 94.9 | Very high | 95.6 | Very high | 168 Ų | 168 | 28.3 Ų | 28.3 | 79% | 0.785 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -116.3 | -45 | 177.2 | -63.5 | -172.9 | 166 | 0 | 0 | 112.3 | D202 | D202-E204 PolarHBondContact OD1-N 3.1Š|
| 205 | T | 96.8 | Very high | 95.5 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -153.5 | 167.5 | 176.2 | 174 | 0 | 0 | 0 | 0 | 111.9 | D202 R207 R225 E229 | D202-T205 PolarHBondContact N-O 3.46Å; D202-T205 VanDerWaalsContact N-O 3.13Å; D202-T205 PolarHBondContact OD1-N 3.11Å; T205-R207 PolarHBondContact O-NH1 2.94Å; T205-R207 VanDerWaalsContact O-NH1 3.17Å; T205-R225 HydrophobicContact CG2-CG 4.18Å; T205-E229 WeakPolarHBondContact CB-OE2 3.42Å; T205-E229 WeakPolarHBondContact CG2-OE2 3.35Å; T205-E229 PolarHBondContact OG1-OE2 2.71Å |
| 206 | W | 97.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 30.6 Ų | 30.6 | 19% | 0.186 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 145.6 | 175.5 | -69.5 | 100 | 0 | 0 | 0 | 111.5 | H111 V199 W200 H201 I248 D251 | H111-W206 AromaticContact CD2-CZ3 4Å; H111-W206 AromaticContact NE2-CH2 3.95Å; V199-W206 HydrophobicContact CG1-CE3 3.65Å; V199-W206 HydrophobicContact CG1-CZ3 4.01Å; W200-W206 VanDerWaalsContact C-CE3 3.41Å; W200-W206 CarbonylContact O-C 3.59Å; W200-W206 WeakPolarHBondContact O-CA 3.4Å; H201-W206 HydrophobicContact CB-CD2 4.19Å; H201-W206 HydrophobicContact CB-CE3 4.03Å; H201-W206 HydrophobicContact CB-CH2 4.25Å; H201-W206 HydrophobicContact CB-CZ2 4.4Å; H201-W206 HydrophobicContact CB-CZ3 4.06Å; H201-W206 AromaticContact CD2-CD1 3.95Å; H201-W206 AromaticContact CD2-CD2 3.99Å; H201-W206 AromaticContact CD2-CE2 3.88Å; H201-W206 AromaticContact CD2-NE1 3.85Å; W206-I248 HydrophobicContact CB-CB 4.15Å; W206-I248 HydrophobicContact CB-CD1 3.53Å; W206-I248 HydrophobicContact CB-CG1 4.44Å; W206-I248 HydrophobicContact CB-CG2 4.01Å; W206-I248 HydrophobicContact CD2-CG2 4.12Å; W206-I248 HydrophobicContact CE3-CG2 4.3Å; W206-I248 HydrophobicContact CG-CG2 3.99Å; W206-D251 VanDerWaalsContact CH2-C 3.45Å; W206-D251 WeakPolarHBondContact CH2-O 3.45Å; W206-D251 HydrophobicContact CZ2-CB 4.29Å; W206-D251 WeakPolarHBondContact CZ2-O 3.29Å |
| 207 | R | 97.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 32.7 Ų | 32.7 | 12% | 0.117 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.6 | 176 | -67.2 | -61.1 | -175.9 | -75.5 | -2 | 108.8 | V199 W200 D202 T205 V223 L224 R225 | V199-R207 CarbonylContact C-O 3.57Å; V199-R207 VanDerWaalsContact CA-O 3.25Å; V199-R207 WeakPolarHBondContact CA-O 3.38Å; W200-R207 HydrophobicContact CD2-CB 3.81Å; W200-R207 HydrophobicContact CE3-CB 4.03Å; W200-R207 HydrophobicContact CH2-CB 3.8Å; W200-R207 HydrophobicContact CZ2-CB 3.54Å; W200-R207 HydrophobicContact CZ2-CG 4.02Å; W200-R207 HydrophobicContact CZ3-CB 4.02Å; W200-R207 PolarHBondContact N-O 2.98Å; W200-R207 PolarHBondContact O-N 2.96Å; D202-R207 HydrophobicContact CB-CG 4.17Å; D202-R207 IonicContact OD1-CZ 2.85Å; D202-R207 IonicContact OD1-NH1 2.9Å; D202-R207 IonicContact OD1-NH2 3.72Å; D202-R207 IonicContact OD2-CZ 3.31Å; D202-R207 IonicContact OD2-NE 2.91Å; D202-R207 PolarHBondContact OD2-NE 2.88Å; D202-R207 IonicContact OD2-NH1 3.15Å; D202-R207 PolarHBondContact OD2-NH1 3.48Å; D202-R207 IonicContact OD2-NH2 3.33Å; D202-R207 PolarHBondContact OD2-NH2 2.82Å; T205-R207 PolarHBondContact O-NH1 2.94Å; T205-R207 VanDerWaalsContact O-NH1 3.17Å; R207-V223 HydrophobicContact CB-CG1 3.97Å; R207-V223 HydrophobicContact CG-CG1 4.11Å; R207-L224 CarbonylContact C-O 3.57Å; R207-L224 WeakPolarHBondContact CA-O 3.26Å; R207-R225 VanDerWaalsContact CZ-CG 3.44Å; R207-R225 VanDerWaalsContact NH1-CG 3.33Å |
| 208 | A | 98 | Very high | 94.7 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L198 V199 V223 L224 V246 I248 L255 | L198-A208 CarbonylContact O-C 2.88Å; L198-A208 WeakPolarHBondContact O-CA 3.32Å; V199-A208 HydrophobicContact CG2-CB 4Å; A208-V223 WeakPolarHBondContact O-CA 3.3Å; A208-L224 PolarHBondContact N-O 3.46Å; A208-L224 PolarHBondContact O-N 3.48Å; A208-V246 HydrophobicContact CB-CB 4.38Å; A208-V246 HydrophobicContact CB-CG1 4.36Å; A208-V246 HydrophobicContact CB-CG2 4.11Å; A208-I248 HydrophobicContact CB-CD1 3.94Å; A208-I248 HydrophobicContact CB-CG1 4.4Å; A208-L255 HydrophobicContact CB-CD1 3.64Å; A208-L255 HydrophobicContact CB-CD2 4.43Å |
| 209 | C | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.3 | 170.8 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | W103 C197 L198 W200 C221 V223 | W103-C209 HydrophobicContact CH2-CB 3.53Å; W103-C209 VanDerWaalsContact CH2-SG 3.6Å; W103-C209 HydrophobicContact CZ2-CB 4.15Å; W103-C209 HydrophobicContact CZ3-CB 4.3Å; C197-C209 WeakPolarHBondContact CA-O 3.42Å; L198-C209 PolarHBondContact N-O 2.83Å; L198-C209 PolarHBondContact O-N 3.28Å; W200-C209 HydrophobicContact CH2-CB 4.35Å; W200-C209 HydrophobicContact CZ3-CB 4.02Å; C209-C221 WeakPolarHBondContact SG-CB 3.45Å; C209-V223 HydrophobicContact CB-CG2 4.47Å |
| 210 | V | 96.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.9 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | Y195 S212 F236 Y244 I257 | Y195-V210 HydrophobicContact CD2-CG1 4.49Å; Y195-V210 HydrophobicContact CG-CG1 4.08Å; V210-S212 PolarHBondContact O-N 3.38Å; V210-F236 HydrophobicContact CG1-CE1 4Å; V210-F236 HydrophobicContact CG1-CZ 4.42Å; V210-Y244 HydrophobicContact CB-CE2 4.48Å; V210-Y244 HydrophobicContact CG2-CE2 4.11Å; V210-I257 HydrophobicContact CG1-CD1 4.47Å; V210-I257 HydrophobicContact CG2-CD1 3.96Å; V210-I257 HydrophobicContact CG2-CG1 4.39Å |
| 211 | D | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -70.7 | 64.3 | 177 | -178.3 | 30.7 | 0 | 0 | 0 | 111.4 | R95 Y195 D196 N213 E214 G216 L218 | R95-D211 IonicContact CZ-OD2 3.22Å; R95-D211 IonicContact NE-OD2 2.99Å; R95-D211 PolarHBondContact NE-OD2 3.4Å; R95-D211 IonicContact NH1-OD2 2.71Å; R95-D211 IonicContact NH2-OD2 2.83Å; R95-D211 PolarHBondContact NH2-OD2 3.12Å; Y195-D211 VanDerWaalsContact CD1-O 3.25Å; Y195-D211 WeakPolarHBondContact CD1-O 3.5Å; D196-D211 HydrophobicContact CB-CB 4.25Å; D196-D211 WeakPolarHBondContact O-CB 3.35Å; D196-D211 PolarHBondContact O-N 3.23Å; D211-N213 PolarHBondContact O-N 2.83Å; D211-N213 VanDerWaalsContact O-N 3.14Å; D211-N213 PolarHBondContact OD1-OD1 2.94Å; D211-E214 PolarHBondContact O-N 3.26Å; D211-G216 PolarHBondContact OD1-N 3.5Å; D211-G216 PolarHBondContact OD2-N 3.39Å; D211-L218 HydrophobicContact CB-CD2 3.92Å | ||
| 212 | S | 89.9 | Confident | 93.5 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.1 | -171.8 | 58.4 | 0 | 0 | 0 | 0 | 114 | V210 | V210-S212 PolarHBondContact O-N 3.38Š|
| 213 | N | 87.5 | Confident | 93.5 | Very high | 49 Ų | 49 | 44.3 Ų | 44.3 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -2.2 | 179.9 | 70.4 | 31.7 | 0 | 0 | 0 | 113.4 | D211 N215 D217 | D211-N213 PolarHBondContact O-N 2.83Å; D211-N213 VanDerWaalsContact O-N 3.14Å; D211-N213 PolarHBondContact OD1-OD1 2.94Å; N213-N215 VanDerWaalsContact CG-ND2 3.26Å; N213-N215 PolarHBondContact O-N 2.9Å; N213-N215 VanDerWaalsContact O-N 3.07Å; N213-N215 PolarHBondContact OD1-N 3.1Å; N213-N215 PolarHBondContact OD1-ND2 3.09Å; N213-N215 VanDerWaalsContact OD1-ND2 3.13Å; N213-N215 PolarHBondContact OD1-OD1 3.26Å; N213-D217 PolarHBondContact ND2-O 2.7Å |
| 214 | E | 90.2 | Very high | 93.7 | Very high | 68 Ų | 68 | 42.3 Ų | 42.3 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 61.1 | 9.9 | 175.4 | -56.6 | 179.3 | -104 | 0 | 0 | 116.1 | R95 R133 P193 Y195 D211 | R95-E214 WeakPolarHBondContact CD-O 3.34Å; R95-E214 PolarHBondContact NH1-O 2.55Å; R133-E214 IonicContact NH1-OE1 2.93Å; P193-E214 WeakPolarHBondContact CA-OE2 3.17Å; P193-E214 VanDerWaalsContact CB-CD 3.48Å; P193-E214 HydrophobicContact CB-CG 4.35Å; P193-E214 VanDerWaalsContact CB-OE2 3.32Å; P193-E214 WeakPolarHBondContact CB-OE2 3.39Å; Y195-E214 HydrophobicContact CD1-CG 4.28Å; Y195-E214 HydrophobicContact CE1-CG 3.91Å; D211-E214 PolarHBondContact O-N 3.26Å |
| 215 | N | 90.8 | Very high | 93.8 | Very high | 95 Ų | 95 | 38 Ų | 38 | 51% | 0.508 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -112.7 | -3.4 | -172.9 | 70.9 | 45.9 | 0 | 0 | 0 | 114.3 | N213 D217 | N213-N215 VanDerWaalsContact CG-ND2 3.26Å; N213-N215 PolarHBondContact O-N 2.9Å; N213-N215 VanDerWaalsContact O-N 3.07Å; N213-N215 PolarHBondContact OD1-N 3.1Å; N213-N215 PolarHBondContact OD1-ND2 3.09Å; N213-N215 VanDerWaalsContact OD1-ND2 3.13Å; N213-N215 PolarHBondContact OD1-OD1 3.26Å; N215-D217 VanDerWaalsContact C-N 3.29Å; N215-D217 PolarHBondContact O-N 3.48Å; N215-D217 WeakPolarHBondContact OD1-CB 3.47Å; N215-D217 PolarHBondContact OD1-N 3.47Å |
| 216 | G | 90.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 80.2 | -1.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L97 K98 D211 L218 | L97-G216 CarbonylContact C-O 3.54Å; L97-G216 WeakPolarHBondContact CA-O 3.27Å; K98-G216 PolarHBondContact N-O 3.13Å; D211-G216 PolarHBondContact OD1-N 3.5Å; D211-G216 PolarHBondContact OD2-N 3.39Å; G216-L218 PolarHBondContact O-N 2.82Å |
| 217 | D | 91.9 | Very high | 93.9 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 25% | 0.246 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -84.8 | 96.3 | 169.9 | -177.8 | 9.7 | 0 | 0 | 0 | 110.3 | N213 N215 S219 | N213-D217 PolarHBondContact ND2-O 2.7Å; N215-D217 VanDerWaalsContact C-N 3.29Å; N215-D217 PolarHBondContact O-N 3.48Å; N215-D217 WeakPolarHBondContact OD1-CB 3.47Å; N215-D217 PolarHBondContact OD1-N 3.47Å; D217-S219 VanDerWaalsContact CG-OG 3.27Å; D217-S219 PolarHBondContact O-N 3.26Å; D217-S219 VanDerWaalsContact OD1-CB 3.29Å; D217-S219 WeakPolarHBondContact OD1-CB 3.12Å; D217-S219 PolarHBondContact OD1-N 3.15Å; D217-S219 VanDerWaalsContact OD1-N 3.16Å; D217-S219 PolarHBondContact OD1-OG 3.42Å; D217-S219 PolarHBondContact OD2-OG 2.85Å |
| 218 | L | 93.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -76.6 | -7.5 | -178.2 | -53.4 | -176.9 | 0 | 0 | 0 | 113.2 | L97 K98 I99 P100 W103 L198 D211 G216 K220 C221 | L97-L218 HydrophobicContact CB-CD1 4.29Å; K98-L218 WeakPolarHBondContact O-CB 3.22Å; I99-L218 HydrophobicContact CD1-CD1 3.78Å; P100-L218 HydrophobicContact CG-CB 4.38Å; W103-L218 HydrophobicContact CH2-CB 3.76Å; W103-L218 HydrophobicContact CH2-CD1 3.69Å; W103-L218 HydrophobicContact CH2-CG 4.36Å; W103-L218 HydrophobicContact CZ2-CB 4.06Å; W103-L218 HydrophobicContact CZ3-CD1 4Å; L198-L218 HydrophobicContact CD1-CD1 3.7Å; L198-L218 HydrophobicContact CD2-CD1 3.72Å; L198-L218 HydrophobicContact CG-CD1 4.33Å; D211-L218 HydrophobicContact CB-CD2 3.92Å; G216-L218 PolarHBondContact O-N 2.82Å; L218-K220 PolarHBondContact O-N 3.28Å; L218-K220 VanDerWaalsContact O-N 3.14Å; L218-C221 PolarHBondContact O-N 2.92Å |
| 219 | S | 89.6 | Confident | 93.7 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -63.6 | -21.2 | 179.6 | 69.8 | 0 | 0 | 0 | 0 | 113.6 | D217 | D217-S219 VanDerWaalsContact CG-OG 3.27Å; D217-S219 PolarHBondContact O-N 3.26Å; D217-S219 VanDerWaalsContact OD1-CB 3.29Å; D217-S219 WeakPolarHBondContact OD1-CB 3.12Å; D217-S219 PolarHBondContact OD1-N 3.15Å; D217-S219 VanDerWaalsContact OD1-N 3.16Å; D217-S219 PolarHBondContact OD1-OG 3.42Å; D217-S219 PolarHBondContact OD2-OG 2.85Å |
| 220 | K | 86.3 | Confident | 93.6 | Very high | 162 Ų | 162 | 45.9 Ų | 45.9 | 70% | 0.704 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -102.9 | -0.7 | 177.9 | -60.8 | 178.2 | -173.2 | 168.6 | 0 | 113.2 | L218 | L218-K220 PolarHBondContact O-N 3.28Å; L218-K220 VanDerWaalsContact O-N 3.14Å |
| 221 | C | 93.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 10% | 0.095 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -89.6 | 148.9 | 179.8 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | C209 L218 | C209-C221 WeakPolarHBondContact SG-CB 3.45Å; L218-C221 PolarHBondContact O-N 2.92Å |
| 222 | A | 95.4 | Very high | 93.6 | Very high | 29 Ų | 29 | 52 Ų | 52 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 136.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | L224 S234 | A222-L224 HydrophobicContact CB-CD2 4.18Å; A222-L224 HydrophobicContact CB-CG 4.38Å; A222-S234 WeakPolarHBondContact CB-OG 3.37Å |
| 223 | V | 97.1 | Very high | 94 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 29% | 0.285 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118 | 170.8 | 178.3 | 0 | 0 | 0 | 0 | 107.1 | W103 W200 R207 A208 C209 | W103-V223 HydrophobicContact CD2-CG2 4.47Å; W103-V223 VanDerWaalsContact CE2-CG2 3.49Å; W103-V223 HydrophobicContact CH2-CG2 4.25Å; W103-V223 HydrophobicContact CZ2-CG2 3.37Å; W200-V223 HydrophobicContact CH2-CB 4.42Å; W200-V223 HydrophobicContact CH2-CG1 3.55Å; W200-V223 HydrophobicContact CH2-CG2 4.01Å; W200-V223 HydrophobicContact CZ2-CG1 3.84Å; R207-V223 HydrophobicContact CB-CG1 3.97Å; R207-V223 HydrophobicContact CG-CG1 4.11Å; A208-V223 WeakPolarHBondContact O-CA 3.3Å; C209-V223 HydrophobicContact CB-CG2 4.47Å |
| 224 | L | 97.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 147.4 | -172.3 | -57.7 | 179.6 | 0 | 0 | 0 | 110.9 | R207 A208 A222 E232 Y244 V246 | R207-L224 CarbonylContact C-O 3.57Å; R207-L224 WeakPolarHBondContact CA-O 3.26Å; A208-L224 PolarHBondContact N-O 3.46Å; A208-L224 PolarHBondContact O-N 3.48Å; A222-L224 HydrophobicContact CB-CD2 4.18Å; A222-L224 HydrophobicContact CB-CG 4.38Å; L224-E232 HydrophobicContact CD2-CB 3.93Å; L224-Y244 HydrophobicContact CD1-CD2 4.04Å; L224-Y244 HydrophobicContact CD1-CE2 3.54Å; L224-V246 HydrophobicContact CB-CG2 3.52Å; L224-V246 HydrophobicContact CD1-CG1 4.14Å; L224-V246 HydrophobicContact CD1-CG2 4.31Å |
| 225 | R | 97.9 | Very high | 94.6 | Very high | 78 Ų | 78 | 53 Ų | 53 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | -91.3 | 172.7 | 165.4 | -70.4 | 176.4 | -82.7 | -178.8 | 0.2 | 111.3 | T205 R207 Y227 A230 E232 V246 | T205-R225 HydrophobicContact CG2-CG 4.18Å; R207-R225 VanDerWaalsContact CZ-CG 3.44Å; R207-R225 VanDerWaalsContact NH1-CG 3.33Å; R225-Y227 PolarHBondContact O-N 3.06Å; R225-A230 HydrophobicContact CB-CB 4.06Å; R225-A230 VanDerWaalsContact CZ-CB 3.42Å; R225-A230 VanDerWaalsContact NE-CB 3.33Å; R225-E232 IonicContact CZ-OE1 3.99Å; R225-E232 VanDerWaalsContact CZ-OE1 3.31Å; R225-E232 PolarHBondContact N-OE2 3.37Å; R225-E232 IonicContact NE-OE1 3.67Å; R225-E232 PolarHBondContact NE-OE1 2.97Å; R225-E232 VanDerWaalsContact NE-OE1 3.15Å; R225-E232 IonicContact NE-OE2 3.93Å; R225-E232 PolarHBondContact NE-OE2 2.89Å; R225-E232 IonicContact NH2-OE1 2.66Å; R225-E232 PolarHBondContact NH2-OE1 3.28Å; R225-V246 VanDerWaalsContact O-CG2 3.3Å; R225-V246 WeakPolarHBondContact O-CG2 3.46Å | ||
| 226 | N | 97.4 | Very high | 94.8 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -50.4 | 130.3 | 162.9 | -70.9 | -31.8 | 0 | 0 | 0 | 109.6 | K228 E229 V246 N247 I248 | N226-K228 VanDerWaalsContact C-N 3.27Å; N226-K228 PolarHBondContact O-N 3.32Å; N226-E229 HydrophobicContact CB-CG 4.09Å; N226-E229 PolarHBondContact ND2-OE1 3.05Å; N226-E229 WeakPolarHBondContact O-CB 3.32Å; N226-E229 PolarHBondContact O-N 3.29Å; N226-V246 WeakPolarHBondContact CA-O 3.14Å; N226-N247 WeakPolarHBondContact OD1-CA 2.94Å; N226-I248 WeakPolarHBondContact OD1-CB 3.14Å; N226-I248 PolarHBondContact OD1-N 3.18Å |
| 227 | Y | 97.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.2 | -41.6 | -172.7 | -170.9 | -82 | 0 | 0 | 0 | 111.9 | P49 I64 I67 R225 E229 A230 Q231 E232 S245 V246 | P49-Y227 HydrophobicContact CB-CE2 4.41Å; I64-Y227 HydrophobicContact CB-CE1 4.46Å; I64-Y227 HydrophobicContact CG2-CE1 4.02Å; I67-Y227 HydrophobicContact CB-CD1 4.31Å; I67-Y227 HydrophobicContact CB-CG 4.26Å; I67-Y227 HydrophobicContact CD1-CD1 4.4Å; I67-Y227 HydrophobicContact CD1-CD2 4Å; I67-Y227 HydrophobicContact CD1-CE1 3.97Å; I67-Y227 HydrophobicContact CD1-CE2 3.54Å; I67-Y227 HydrophobicContact CD1-CG 4.38Å; I67-Y227 VanDerWaalsContact CD1-CZ 3.5Å; I67-Y227 HydrophobicContact CG1-CD1 3.96Å; I67-Y227 HydrophobicContact CG1-CD2 4.32Å; I67-Y227 HydrophobicContact CG1-CE1 3.76Å; I67-Y227 HydrophobicContact CG1-CE2 4.16Å; I67-Y227 HydrophobicContact CG1-CG 4.2Å; R225-Y227 PolarHBondContact O-N 3.06Å; Y227-E229 PolarHBondContact O-N 2.86Å; Y227-A230 PolarHBondContact O-N 2.97Å; Y227-Q231 HydrophobicContact CD1-CG 4.49Å; Y227-Q231 HydrophobicContact CE1-CB 4.04Å; Y227-Q231 HydrophobicContact CE1-CG 3.99Å; Y227-Q231 HydrophobicContact CE2-CB 4.47Å; Y227-Q231 VanDerWaalsContact O-CA 3.27Å; Y227-Q231 WeakPolarHBondContact O-CA 3.43Å; Y227-Q231 PolarHBondContact O-N 2.88Å; Y227-E232 VanDerWaalsContact CD2-O 3.26Å; Y227-E232 WeakPolarHBondContact CD2-O 3.4Å; Y227-S245 VanDerWaalsContact CD2-CB 3.47Å; Y227-V246 PolarHBondContact N-O 2.98Å |
| 228 | K | 96.6 | Very high | 94.4 | Very high | 113 Ų | 113 | 54.7 Ų | 54.7 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -49.2 | -33.6 | 175.3 | -165.4 | 174.7 | -175.9 | 156 | 0 | 114.8 | D66 N226 H320 | D66-K228 PolarHBondContact OD1-N 2.95Å; D66-K228 WeakPolarHBondContact OD2-CB 3.23Å; D66-K228 WeakPolarHBondContact OD2-CD 3.36Å; D66-K228 WeakPolarHBondContact OD2-CG 3.41Å; N226-K228 VanDerWaalsContact C-N 3.27Å; N226-K228 PolarHBondContact O-N 3.32Å; K228-H320 PolarHBondContact NZ-CE1 3.31Å; K228-H320 VanDerWaalsContact NZ-CE1 3.25Å; K228-H320 PolarHBondContact NZ-NE2 2.99Å |
| 229 | E | 96.2 | Very high | 94.3 | Very high | 98 Ų | 98 | 56.3 Ų | 56.3 | 46% | 0.458 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -84.8 | -33.6 | -173 | -64 | 173.2 | -155.4 | 0 | 0 | 112.6 | T205 N226 Y227 | T205-E229 WeakPolarHBondContact CB-OE2 3.42Å; T205-E229 WeakPolarHBondContact CG2-OE2 3.35Å; T205-E229 PolarHBondContact OG1-OE2 2.71Å; N226-E229 HydrophobicContact CB-CG 4.09Å; N226-E229 PolarHBondContact ND2-OE1 3.05Å; N226-E229 WeakPolarHBondContact O-CB 3.32Å; N226-E229 PolarHBondContact O-N 3.29Å; Y227-E229 PolarHBondContact O-N 2.86Å |
| 230 | A | 94.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -134.9 | -8.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R225 Y227 E232 | R225-A230 HydrophobicContact CB-CB 4.06Å; R225-A230 VanDerWaalsContact CZ-CB 3.42Å; R225-A230 VanDerWaalsContact NE-CB 3.33Å; Y227-A230 PolarHBondContact O-N 2.97Å; A230-E232 HydrophobicContact CB-CB 4.4Å; A230-E232 HydrophobicContact CB-CG 3.65Å; A230-E232 PolarHBondContact O-N 2.86Å |
| 231 | Q | 96.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 35% | 0.346 | 27% | 0.272 | S | S | . | . | trans | 50.8 | 32.4 | -172 | -57.6 | 104.1 | 35.5 | 0 | 0 | 113.7 | P62 Y227 | P62-Q231 HydrophobicContact CB-CG 4.19Å; Y227-Q231 HydrophobicContact CD1-CG 4.49Å; Y227-Q231 HydrophobicContact CE1-CB 4.04Å; Y227-Q231 HydrophobicContact CE1-CG 3.99Å; Y227-Q231 HydrophobicContact CE2-CB 4.47Å; Y227-Q231 VanDerWaalsContact O-CA 3.27Å; Y227-Q231 WeakPolarHBondContact O-CA 3.43Å; Y227-Q231 PolarHBondContact O-N 2.88Å | ||
| 232 | E | 96.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 49 Ų | 49 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | trans | -83.6 | 135.1 | -178.1 | -69.8 | 169.5 | 171.3 | 0 | 0 | 111.4 | L224 R225 Y227 A230 | L224-E232 HydrophobicContact CD2-CB 3.93Å; R225-E232 IonicContact CZ-OE1 3.99Å; R225-E232 VanDerWaalsContact CZ-OE1 3.31Å; R225-E232 PolarHBondContact N-OE2 3.37Å; R225-E232 IonicContact NE-OE1 3.67Å; R225-E232 PolarHBondContact NE-OE1 2.97Å; R225-E232 VanDerWaalsContact NE-OE1 3.15Å; R225-E232 IonicContact NE-OE2 3.93Å; R225-E232 PolarHBondContact NE-OE2 2.89Å; R225-E232 IonicContact NH2-OE1 2.66Å; R225-E232 PolarHBondContact NH2-OE1 3.28Å; Y227-E232 VanDerWaalsContact CD2-O 3.26Å; Y227-E232 WeakPolarHBondContact CD2-O 3.4Å; A230-E232 HydrophobicContact CB-CB 4.4Å; A230-E232 HydrophobicContact CB-CG 3.65Å; A230-E232 PolarHBondContact O-N 2.86Å | ||
| 233 | Y | 97.1 | Very high | 95.2 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 37% | 0.373 | 26% | 0.26 | S | S | . | . | trans | -141 | 162 | 172 | 68.8 | -86.7 | 0 | 0 | 0 | 110 | P49 N243 Y244 | P49-Y233 HydrophobicContact CB-CD1 3.81Å; P49-Y233 HydrophobicContact CB-CE1 4.05Å; P49-Y233 HydrophobicContact CB-CG 4.11Å; P49-Y233 HydrophobicContact CG-CD1 3.82Å; P49-Y233 HydrophobicContact CG-CD2 3.93Å; P49-Y233 HydrophobicContact CG-CE1 4.36Å; P49-Y233 HydrophobicContact CG-CE2 4.47Å; P49-Y233 HydrophobicContact CG-CG 3.57Å; Y233-N243 HydrophobicContact CD2-CB 4.19Å; Y233-Y244 VanDerWaalsContact CA-O 3.31Å; Y233-Y244 WeakPolarHBondContact CA-O 3.47Å; Y233-Y244 VanDerWaalsContact CB-O 3.32Å; Y233-Y244 WeakPolarHBondContact CB-O 3.33Å | ||
| 234 | S | 96.7 | Very high | 95.2 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 178.3 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | A222 N243 Y244 | A222-S234 WeakPolarHBondContact CB-OG 3.37Å; S234-N243 CarbonylContact O-C 3.57Å; S234-N243 WeakPolarHBondContact O-CA 3.42Å; S234-Y244 PolarHBondContact N-O 2.95Å; S234-Y244 WeakPolarHBondContact O-CD1 3.48Å; S234-Y244 PolarHBondContact O-N 2.99Å |
| 235 | S | 95.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 46 Ų | 46 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.7 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | G237 L242 N243 | S235-G237 PolarHBondContact O-N 3.42Å; S235-L242 WeakPolarHBondContact CA-O 3.37Å; S235-N243 WeakPolarHBondContact CB-OD1 2.89Å |
| 236 | F | 93.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 115.8 | 164.1 | -67.3 | -72.1 | 0 | 0 | 0 | 108.9 | F120 Y195 V210 E240 M241 L242 Y244 I257 T259 | F120-F236 HydrophobicContact CE2-CD2 4.21Å; F120-F236 AromaticContact CE2-CE2 3.52Å; F120-F236 HydrophobicContact CE2-CE2 3.52Å; F120-F236 AromaticContact CE2-CZ 3.78Å; F120-F236 HydrophobicContact CE2-CZ 3.78Å; F120-F236 HydrophobicContact CZ-CE1 4.41Å; F120-F236 HydrophobicContact CZ-CE2 4.03Å; F120-F236 AromaticContact CZ-CZ 3.78Å; F120-F236 HydrophobicContact CZ-CZ 3.78Å; Y195-F236 HydrophobicContact CD2-CE1 4.18Å; Y195-F236 HydrophobicContact CE2-CD1 4.1Å; Y195-F236 AromaticContact CE2-CE1 3.9Å; Y195-F236 HydrophobicContact CE2-CE1 3.9Å; V210-F236 HydrophobicContact CG1-CE1 4Å; V210-F236 HydrophobicContact CG1-CZ 4.42Å; F236-E240 HydrophobicContact CB-CB 4.31Å; F236-E240 WeakPolarHBondContact O-CB 3.38Å; F236-M241 PolarHBondContact O-N 3.34Å; F236-L242 HydrophobicContact CB-CB 4.45Å; F236-L242 HydrophobicContact CD2-CB 4.28Å; F236-L242 HydrophobicContact CD2-CD2 4.14Å; F236-L242 HydrophobicContact CD2-CG 4.24Å; F236-L242 WeakPolarHBondContact CD2-O 3.31Å; F236-L242 PolarHBondContact N-O 3.29Å; F236-Y244 HydrophobicContact CD1-CD1 4.42Å; F236-Y244 HydrophobicContact CD1-CE1 4.28Å; F236-Y244 AromaticContact CD2-CD1 3.6Å; F236-Y244 HydrophobicContact CD2-CD1 3.6Å; F236-Y244 HydrophobicContact CD2-CE1 4.25Å; F236-Y244 HydrophobicContact CD2-CG 4.17Å; F236-Y244 HydrophobicContact CE1-CD1 4.2Å; F236-Y244 HydrophobicContact CE1-CE1 4.07Å; F236-Y244 AromaticContact CE2-CD1 3.35Å; F236-Y244 HydrophobicContact CE2-CD1 3.35Å; F236-Y244 HydrophobicContact CE2-CD2 4.32Å; F236-Y244 HydrophobicContact CE2-CE1 4.05Å; F236-Y244 AromaticContact CE2-CG 3.5Å; F236-Y244 HydrophobicContact CE2-CG 3.5Å; F236-Y244 VanDerWaalsContact CE2-CG 3.5Å; F236-Y244 HydrophobicContact CG-CD1 4.13Å; F236-Y244 HydrophobicContact CG-CE1 4.36Å; F236-Y244 AromaticContact CZ-CD1 3.67Å; F236-Y244 HydrophobicContact CZ-CD1 3.67Å; F236-Y244 HydrophobicContact CZ-CD2 4.2Å; F236-Y244 AromaticContact CZ-CE1 3.94Å; F236-Y244 HydrophobicContact CZ-CE1 3.94Å; F236-Y244 HydrophobicContact CZ-CE2 4.45Å; F236-Y244 AromaticContact CZ-CG 3.8Å; F236-Y244 HydrophobicContact CZ-CG 3.8Å; F236-I257 HydrophobicContact CE2-CG2 4.48Å; F236-I257 HydrophobicContact CZ-CG2 4.3Å; F236-T259 HydrophobicContact CE2-CG2 4.14Å |
| 237 | G | 86.1 | Confident | 95.2 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | -179.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S235 E240 | S235-G237 PolarHBondContact O-N 3.42Å; G237-E240 WeakPolarHBondContact CA-OE2 3.35Å |
| 238 | T | 88.7 | Confident | 95.2 | Very high | 138 Ų | 138 | 41.8 Ų | 41.8 | 85% | 0.847 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -19.6 | 170.8 | 56 | 0 | 0 | 0 | 0 | 112.1 | M241 | T238-M241 WeakPolarHBondContact O-CG 3.42Š|
| 239 | A | 90.3 | Very high | 95.2 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -37 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R128 I129 | R128-A239 PolarHBondContact NH2-O 3.12Å; I129-A239 HydrophobicContact CD1-CB 4.4Å |
| 240 | E | 94.2 | Very high | 95.1 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -45 | -179.4 | -59.2 | 75.5 | -174.4 | 0 | 0 | 111.2 | Y121 L125 R128 I129 F236 G237 L242 W437 | Y121-E240 HydrophobicContact CE2-CG 3.94Å; L125-E240 HydrophobicContact CD1-CB 4.38Å; L125-E240 HydrophobicContact CD2-CB 4.45Å; R128-E240 PolarHBondContact NH2-O 2.92Å; I129-E240 HydrophobicContact CD1-CG 3.79Å; I129-E240 HydrophobicContact CG1-CG 4.05Å; F236-E240 HydrophobicContact CB-CB 4.31Å; F236-E240 WeakPolarHBondContact O-CB 3.38Å; G237-E240 WeakPolarHBondContact CA-OE2 3.35Å; E240-L242 HydrophobicContact CB-CB 4.38Å; E240-L242 PolarHBondContact O-N 3.43Å; E240-W437 WeakPolarHBondContact O-CA 3.49Å; E240-W437 VanDerWaalsContact O-CB 3.24Å; E240-W437 WeakPolarHBondContact O-CB 3.47Å |
| 241 | M | 94.7 | Very high | 95.1 | Very high | 74 Ų | 74 | 41.3 Ų | 41.3 | 37% | 0.365 | 23% | 0.23 | S | C | . | . | trans | 52 | 30.9 | -173.4 | -59.8 | -168.8 | 73.5 | 0 | 0 | 112.6 | F236 T238 N436 W437 L439 | F236-M241 PolarHBondContact O-N 3.34Å; T238-M241 WeakPolarHBondContact O-CG 3.42Å; M241-N436 HydrophobicContact CB-CB 4.46Å; M241-N436 HydrophobicContact CE-CB 4.35Å; M241-W437 WeakPolarHBondContact O-CA 3.37Å; M241-W437 WeakPolarHBondContact O-CB 3.45Å; M241-W437 PolarHBondContact O-N 3.29Å; M241-W437 VanDerWaalsContact O-N 3.08Å; M241-L439 HydrophobicContact SD-CD2 3.68Å | ||
| 242 | L | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106 | 179.7 | -179.5 | 65.2 | 0 | 0 | 0 | 108.7 | F120 Y121 P122 L125 S235 F236 E240 T259 W437 | F120-L242 HydrophobicContact CD2-CD2 4.4Å; F120-L242 HydrophobicContact CE2-CD2 4.46Å; Y121-L242 HydrophobicContact CD1-CD2 3.51Å; Y121-L242 HydrophobicContact CE1-CD2 3.7Å; Y121-L242 HydrophobicContact CG-CD2 4.34Å; P122-L242 HydrophobicContact CG-CD1 4.5Å; L125-L242 HydrophobicContact CD2-CB 3.86Å; L125-L242 HydrophobicContact CD2-CD1 4.34Å; L125-L242 HydrophobicContact CD2-CD2 3.88Å; L125-L242 HydrophobicContact CD2-CG 4.25Å; S235-L242 WeakPolarHBondContact CA-O 3.37Å; F236-L242 HydrophobicContact CB-CB 4.45Å; F236-L242 HydrophobicContact CD2-CB 4.28Å; F236-L242 HydrophobicContact CD2-CD2 4.14Å; F236-L242 HydrophobicContact CD2-CG 4.24Å; F236-L242 WeakPolarHBondContact CD2-O 3.31Å; F236-L242 PolarHBondContact N-O 3.29Å; E240-L242 HydrophobicContact CB-CB 4.38Å; E240-L242 PolarHBondContact O-N 3.43Å; L242-T259 HydrophobicContact CD2-CG2 3.92Å; L242-T259 HydrophobicContact CG-CG2 4.08Å; L242-W437 HydrophobicContact CB-CB 4.37Å; L242-W437 HydrophobicContact CD1-CB 4.4Å; L242-W437 VanDerWaalsContact CD1-CD1 3.43Å; L242-W437 HydrophobicContact CD1-CG 4.02Å |
| 243 | N | 97.2 | Very high | 95.1 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 144.2 | 173.4 | -66.2 | -41.3 | 0 | 0 | 0 | 111 | D48 G50 Y233 S234 S235 | D48-N243 VanDerWaalsContact OD1-CB 3.29Å; D48-N243 WeakPolarHBondContact OD1-CB 3.29Å; D48-N243 PolarHBondContact OD1-ND2 3.12Å; D48-N243 PolarHBondContact OD2-ND2 3.43Å; G50-N243 WeakPolarHBondContact CA-ND2 3.42Å; Y233-N243 HydrophobicContact CD2-CB 4.19Å; S234-N243 CarbonylContact O-C 3.57Å; S234-N243 WeakPolarHBondContact O-CA 3.42Å; S235-N243 WeakPolarHBondContact CB-OD1 2.89Å |
| 244 | Y | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 151.5 | 177.5 | 75.2 | -83.5 | 0 | 0 | 0 | 111.6 | V210 L224 Y233 S234 F236 V246 I257 V258 | V210-Y244 HydrophobicContact CB-CE2 4.48Å; V210-Y244 HydrophobicContact CG2-CE2 4.11Å; L224-Y244 HydrophobicContact CD1-CD2 4.04Å; L224-Y244 HydrophobicContact CD1-CE2 3.54Å; Y233-Y244 VanDerWaalsContact CA-O 3.31Å; Y233-Y244 WeakPolarHBondContact CA-O 3.47Å; Y233-Y244 VanDerWaalsContact CB-O 3.32Å; Y233-Y244 WeakPolarHBondContact CB-O 3.33Å; S234-Y244 PolarHBondContact N-O 2.95Å; S234-Y244 WeakPolarHBondContact O-CD1 3.48Å; S234-Y244 PolarHBondContact O-N 2.99Å; F236-Y244 HydrophobicContact CD1-CD1 4.42Å; F236-Y244 HydrophobicContact CD1-CE1 4.28Å; F236-Y244 AromaticContact CD2-CD1 3.6Å; F236-Y244 HydrophobicContact CD2-CD1 3.6Å; F236-Y244 HydrophobicContact CD2-CE1 4.25Å; F236-Y244 HydrophobicContact CD2-CG 4.17Å; F236-Y244 HydrophobicContact CE1-CD1 4.2Å; F236-Y244 HydrophobicContact CE1-CE1 4.07Å; F236-Y244 AromaticContact CE2-CD1 3.35Å; F236-Y244 HydrophobicContact CE2-CD1 3.35Å; F236-Y244 HydrophobicContact CE2-CD2 4.32Å; F236-Y244 HydrophobicContact CE2-CE1 4.05Å; F236-Y244 AromaticContact CE2-CG 3.5Å; F236-Y244 HydrophobicContact CE2-CG 3.5Å; F236-Y244 VanDerWaalsContact CE2-CG 3.5Å; F236-Y244 HydrophobicContact CG-CD1 4.13Å; F236-Y244 HydrophobicContact CG-CE1 4.36Å; F236-Y244 AromaticContact CZ-CD1 3.67Å; F236-Y244 HydrophobicContact CZ-CD1 3.67Å; F236-Y244 HydrophobicContact CZ-CD2 4.2Å; F236-Y244 AromaticContact CZ-CE1 3.94Å; F236-Y244 HydrophobicContact CZ-CE1 3.94Å; F236-Y244 HydrophobicContact CZ-CE2 4.45Å; F236-Y244 AromaticContact CZ-CG 3.8Å; F236-Y244 HydrophobicContact CZ-CG 3.8Å; Y244-V246 HydrophobicContact CD2-CG1 4.29Å; Y244-V246 HydrophobicContact CE2-CG1 4.31Å; Y244-I257 HydrophobicContact CD2-CG2 4.18Å; Y244-V258 VanDerWaalsContact CA-O 3.29Å; Y244-V258 WeakPolarHBondContact CA-O 3.4Å |
| 245 | S | 98 | Very high | 95.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 176.5 | 167.2 | 60.3 | 0 | 0 | 0 | 0 | 109.5 | Y227 V258 | Y227-S245 VanDerWaalsContact CD2-CB 3.47Å; S245-V258 PolarHBondContact N-O 2.92Å; S245-V258 PolarHBondContact O-N 3.09Å |
| 246 | V | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.3 | 179.8 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | A208 L224 R225 N226 Y227 Y244 L255 S256 | A208-V246 HydrophobicContact CB-CB 4.38Å; A208-V246 HydrophobicContact CB-CG1 4.36Å; A208-V246 HydrophobicContact CB-CG2 4.11Å; L224-V246 HydrophobicContact CB-CG2 3.52Å; L224-V246 HydrophobicContact CD1-CG1 4.14Å; L224-V246 HydrophobicContact CD1-CG2 4.31Å; R225-V246 VanDerWaalsContact O-CG2 3.3Å; R225-V246 WeakPolarHBondContact O-CG2 3.46Å; N226-V246 WeakPolarHBondContact CA-O 3.14Å; Y227-V246 PolarHBondContact N-O 2.98Å; Y244-V246 HydrophobicContact CD2-CG1 4.29Å; Y244-V246 HydrophobicContact CE2-CG1 4.31Å; V246-L255 HydrophobicContact CB-CD1 3.85Å; V246-L255 HydrophobicContact CG1-CD1 4.04Å; V246-S256 WeakPolarHBondContact CA-O 3.29Å |
| 247 | N | 97.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.7 | 165.2 | -63.2 | -50.7 | 0 | 0 | 0 | 109.4 | I67 N226 Y249 S256 | I67-N247 PolarHBondContact O-ND2 3.29Å; N226-N247 WeakPolarHBondContact OD1-CA 2.94Å; N247-Y249 HydrophobicContact CB-CD2 4.47Å; N247-Y249 HydrophobicContact CB-CE2 3.55Å; N247-Y249 WeakPolarHBondContact CB-OH 3.25Å; N247-S256 PolarHBondContact N-O 3.36Å; N247-S256 PolarHBondContact O-N 3.28Å |
| 248 | I | 97.5 | Very high | 96 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.3 | -172.6 | -58.2 | 162.9 | 0 | 0 | 0 | 107.4 | V199 W206 A208 N226 L254 L255 | V199-I248 HydrophobicContact CG1-CD1 4.2Å; V199-I248 HydrophobicContact CG1-CG1 4.42Å; V199-I248 HydrophobicContact CG1-CG2 3.74Å; W206-I248 HydrophobicContact CB-CB 4.15Å; W206-I248 HydrophobicContact CB-CD1 3.53Å; W206-I248 HydrophobicContact CB-CG1 4.44Å; W206-I248 HydrophobicContact CB-CG2 4.01Å; W206-I248 HydrophobicContact CD2-CG2 4.12Å; W206-I248 HydrophobicContact CE3-CG2 4.3Å; W206-I248 HydrophobicContact CG-CG2 3.99Å; A208-I248 HydrophobicContact CB-CD1 3.94Å; A208-I248 HydrophobicContact CB-CG1 4.4Å; N226-I248 WeakPolarHBondContact OD1-CB 3.14Å; N226-I248 PolarHBondContact OD1-N 3.18Å; I248-L254 WeakPolarHBondContact CA-O 3.18Å; I248-L255 HydrophobicContact CG1-CD1 3.99Å |
| 249 | Y | 96 | Very high | 96.4 | Very high | 43 Ų | 43 | 23.2 Ų | 23.2 | 17% | 0.169 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 167.8 | -174.9 | -55 | -81.8 | 0 | 0 | 0 | 111 | N247 D251 G252 N253 L254 | N247-Y249 HydrophobicContact CB-CD2 4.47Å; N247-Y249 HydrophobicContact CB-CE2 3.55Å; N247-Y249 WeakPolarHBondContact CB-OH 3.25Å; Y249-D251 VanDerWaalsContact C-N 3.32Å; Y249-D251 PolarHBondContact O-N 3.18Å; Y249-G252 PolarHBondContact O-N 3.06Å; Y249-G252 VanDerWaalsContact O-N 3.16Å; Y249-N253 PolarHBondContact O-N 2.89Å; Y249-L254 HydrophobicContact CD2-CD2 4.26Å; Y249-L254 HydrophobicContact CD2-CG 4.38Å; Y249-L254 PolarHBondContact N-O 3.41Å; Y249-L254 PolarHBondContact O-N 3.24Å |
| 250 | D | 94.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 21.8 Ų | 21.8 | 28% | 0.283 | 11% | 0.112 | S | C | . | . | G | 310 helix | trans | 50.9 | 49.4 | 171.1 | -55.6 | -29.9 | 0 | 0 | 0 | 112.7 | G252 N253 S809 | D250-G252 VanDerWaalsContact C-N 3.32Å; D250-G252 PolarHBondContact O-N 3.18Å; D250-N253 HydrophobicContact CB-CB 4.43Å; D250-N253 VanDerWaalsContact O-CB 3.29Å; D250-N253 WeakPolarHBondContact O-CB 3.43Å; D250-N253 PolarHBondContact O-N 3.22Å; D250-N253 VanDerWaalsContact O-N 3.17Å; D250-N253 PolarHBondContact O-ND2 2.84Å; D250-S809 WeakPolarHBondContact OD1-CB 3.45Å; D250-S809 PolarHBondContact OD1-N 3.36Å; D250-S809 PolarHBondContact OD1-OG 3.28Å |
| 251 | D | 94.4 | Very high | 96.4 | Very high | 128 Ų | 128 | 20.7 Ų | 20.7 | 68% | 0.684 | 11% | 0.108 | S | C | * | . | G | 310 helix | trans | 53.9 | 44.2 | 179.5 | -57.7 | -48.2 | 0 | 0 | 0 | 113.5 | W206 Y249 N253 | W206-D251 VanDerWaalsContact CH2-C 3.45Å; W206-D251 WeakPolarHBondContact CH2-O 3.45Å; W206-D251 HydrophobicContact CZ2-CB 4.29Å; W206-D251 WeakPolarHBondContact CZ2-O 3.29Å; Y249-D251 VanDerWaalsContact C-N 3.32Å; Y249-D251 PolarHBondContact O-N 3.18Å; D251-N253 VanDerWaalsContact C-N 3.31Å; D251-N253 PolarHBondContact O-N 3.25Å |
| 252 | G | 95.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | 84 | 1.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T78 H111 Y249 D250 L254 | T78-G252 PolarHBondContact OG1-O 3.39Å; H111-G252 PolarHBondContact ND1-O 3.4Å; Y249-G252 PolarHBondContact O-N 3.06Å; Y249-G252 VanDerWaalsContact O-N 3.16Å; D250-G252 VanDerWaalsContact C-N 3.32Å; D250-G252 PolarHBondContact O-N 3.18Å; G252-L254 VanDerWaalsContact C-N 3.33Å |
| 253 | N | 96.8 | Very high | 96.4 | Very high | 60 Ų | 60 | 18.5 Ų | 18.5 | 32% | 0.321 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15 | 179.2 | -65.1 | -51.9 | 0 | 0 | 0 | 113.6 | T78 A79 Y249 D250 D251 | T78-N253 CarbonylContact C-O 3.46Å; T78-N253 PolarHBondContact N-O 3.32Å; T78-N253 PolarHBondContact OG1-O 2.9Å; T78-N253 VanDerWaalsContact OG1-O 3.07Å; A79-N253 WeakPolarHBondContact CA-OD1 3.37Å; A79-N253 HydrophobicContact CB-CB 4.12Å; A79-N253 PolarHBondContact N-O 3.4Å; Y249-N253 PolarHBondContact O-N 2.89Å; D250-N253 HydrophobicContact CB-CB 4.43Å; D250-N253 VanDerWaalsContact O-CB 3.29Å; D250-N253 WeakPolarHBondContact O-CB 3.43Å; D250-N253 PolarHBondContact O-N 3.22Å; D250-N253 VanDerWaalsContact O-N 3.17Å; D250-N253 PolarHBondContact O-ND2 2.84Å; D251-N253 VanDerWaalsContact C-N 3.31Å; D251-N253 PolarHBondContact O-N 3.25Å |
| 254 | L | 97.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 19.7 Ų | 19.7 | 12% | 0.115 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.6 | 178.7 | 179.8 | 63.5 | 0 | 0 | 0 | 110.4 | D75 T78 I248 Y249 G252 | D75-L254 HydrophobicContact CB-CD1 3.88Å; T78-L254 PolarHBondContact OG1-N 3.44Å; I248-L254 WeakPolarHBondContact CA-O 3.18Å; Y249-L254 HydrophobicContact CD2-CD2 4.26Å; Y249-L254 HydrophobicContact CD2-CG 4.38Å; Y249-L254 PolarHBondContact N-O 3.41Å; Y249-L254 PolarHBondContact O-N 3.24Å; G252-L254 VanDerWaalsContact C-N 3.33Å |
| 255 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.5 | 167.8 | 172.4 | 67.8 | 0 | 0 | 0 | 108.6 | D75 V76 T78 C197 V199 A208 V246 I248 I257 | D75-L255 CarbonylContact C-O 3.55Å; D75-L255 WeakPolarHBondContact CA-O 3.28Å; V76-L255 HydrophobicContact CB-CB 4.17Å; V76-L255 HydrophobicContact CB-CD2 4.49Å; V76-L255 HydrophobicContact CG2-CD2 4.45Å; V76-L255 PolarHBondContact N-O 3.03Å; V76-L255 PolarHBondContact O-N 2.7Å; V76-L255 VanDerWaalsContact O-N 3.08Å; T78-L255 HydrophobicContact CG2-CB 3.94Å; T78-L255 PolarHBondContact OG1-N 3.19Å; C197-L255 HydrophobicContact CB-CD2 3.63Å; V199-L255 HydrophobicContact CG2-CB 3.96Å; V199-L255 HydrophobicContact CG2-CD1 4.17Å; V199-L255 HydrophobicContact CG2-CD2 4.16Å; V199-L255 HydrophobicContact CG2-CG 4.33Å; A208-L255 HydrophobicContact CB-CD1 3.64Å; A208-L255 HydrophobicContact CB-CD2 4.43Å; V246-L255 HydrophobicContact CB-CD1 3.85Å; V246-L255 HydrophobicContact CG1-CD1 4.04Å; I248-L255 HydrophobicContact CG1-CD1 3.99Å; L255-I257 HydrophobicContact CD2-CG1 4.2Å; L255-I257 HydrophobicContact CG-CG1 4.3Å |
| 256 | S | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 112.3 | 171.1 | -163.4 | 0 | 0 | 0 | 0 | 109 | D75 V246 N247 | D75-S256 PolarHBondContact OD1-OG 3.04Å; V246-S256 WeakPolarHBondContact CA-O 3.29Å; N247-S256 PolarHBondContact N-O 3.36Å; N247-S256 PolarHBondContact O-N 3.28Å |
| 257 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.9 | 173.6 | -59.5 | 174.3 | 0 | 0 | 0 | 107.4 | G74 V76 V210 F236 Y244 L255 T259 | G74-I257 VanDerWaalsContact CA-O 3.26Å; G74-I257 WeakPolarHBondContact CA-O 3.48Å; G74-I257 PolarHBondContact O-N 3.43Å; V76-I257 HydrophobicContact CG2-CD1 3.88Å; V76-I257 HydrophobicContact CG2-CG1 4.13Å; V210-I257 HydrophobicContact CG1-CD1 4.47Å; V210-I257 HydrophobicContact CG2-CD1 3.96Å; V210-I257 HydrophobicContact CG2-CG1 4.39Å; F236-I257 HydrophobicContact CE2-CG2 4.48Å; F236-I257 HydrophobicContact CZ-CG2 4.3Å; Y244-I257 HydrophobicContact CD2-CG2 4.18Å; L255-I257 HydrophobicContact CD2-CG1 4.2Å; L255-I257 HydrophobicContact CG-CG1 4.3Å; I257-T259 HydrophobicContact CG2-CG2 4.36Å |
| 258 | V | 97.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.024 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.8 | -176.6 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | I67 D69 Y244 S245 | I67-V258 HydrophobicContact CG2-CB 4.05Å; I67-V258 HydrophobicContact CG2-CG1 3.49Å; I67-V258 VanDerWaalsContact CG2-CG1 3.49Å; D69-V258 HydrophobicContact CB-CB 4.42Å; D69-V258 HydrophobicContact CB-CG1 3.96Å; D69-V258 HydrophobicContact CB-CG2 3.93Å; Y244-V258 VanDerWaalsContact CA-O 3.29Å; Y244-V258 WeakPolarHBondContact CA-O 3.4Å; S245-V258 PolarHBondContact N-O 2.92Å; S245-V258 PolarHBondContact O-N 3.09Å |
| 259 | T | 96.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 158.4 | 175.2 | 57.8 | 0 | 0 | 0 | 0 | 110 | F120 F236 L242 I257 G261 K295 | F120-T259 HydrophobicContact CD2-CG2 3.84Å; F120-T259 HydrophobicContact CE2-CG2 4.22Å; F120-T259 PolarHBondContact O-OG1 3.14Å; F120-T259 VanDerWaalsContact O-OG1 3.13Å; F236-T259 HydrophobicContact CE2-CG2 4.14Å; L242-T259 HydrophobicContact CD2-CG2 3.92Å; L242-T259 HydrophobicContact CG-CG2 4.08Å; I257-T259 HydrophobicContact CG2-CG2 4.36Å; T259-G261 PolarHBondContact O-N 3.06Å; T259-K295 WeakPolarHBondContact O-CD 3.49Å |
| 260 | S | 93.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 3% | 0.028 | 9% | 0.093 | C | C | . | . | trans | -65.5 | 122.6 | 165.1 | 63.5 | 0 | 0 | 0 | 0 | 109.1 | T45 P122 G262 W437 | T45-S260 CarbonylContact O-C 3.59Å; P122-S260 WeakPolarHBondContact CG-O 3.35Å; S260-G262 VanDerWaalsContact C-N 3.31Å; S260-W437 PolarHBondContact OG-NE1 3.44Å | ||
| 261 | G | 91.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 14 Ų | 14 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -77.2 | -15.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T45 P122 T259 T303 | T45-G261 PolarHBondContact O-N 2.86Å; P122-G261 WeakPolarHBondContact CB-O 3.45Å; T259-G261 PolarHBondContact O-N 3.06Å; G261-T303 VanDerWaalsContact O-CG2 3.31Å; G261-T303 WeakPolarHBondContact O-CG2 3.39Å |
| 262 | G | 94.1 | Very high | 96.9 | Very high | 12 Ų | 12 | 8 Ų | 8 | 12% | 0.124 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -162.2 | 174 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S260 H264 | S260-G262 VanDerWaalsContact C-N 3.31Å; G262-H264 VanDerWaalsContact C-N 3.31Å |
| 263 | A | 95.7 | Very high | 97.1 | Very high | 16 Ų | 16 | 8 Ų | 8 | 13% | 0.132 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -79.5 | -17.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H267 V434 W437 T438 M445 | A263-H267 PolarHBondContact O-N 2.9Å; A263-V434 HydrophobicContact CB-CB 4.45Å; A263-V434 HydrophobicContact CB-CG1 4.3Å; A263-W437 HydrophobicContact CB-CZ2 4.37Å; A263-T438 HydrophobicContact CB-CG2 3.88Å; A263-M445 HydrophobicContact CB-CE 3.98Å |
| 264 | H | 96.9 | Very high | 97.2 | Very high | 40 Ų | 40 | 5.1 Ų | 5.1 | 19% | 0.185 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -67.7 | -43.1 | -166.6 | -174.4 | -98.2 | 0 | 0 | 0 | 113.2 | D44 T45 G262 T266 H267 V268 S328 S449 | D44-H264 IonicContact OD1-CE1 3.44Å; D44-H264 IonicContact OD1-CG 3.39Å; D44-H264 IonicContact OD1-ND1 2.8Å; D44-H264 PolarHBondContact OD1-ND1 2.58Å; D44-H264 IonicContact OD2-CE1 3.51Å; D44-H264 PolarHBondContact OD2-CE1 2.79Å; D44-H264 IonicContact OD2-ND1 2.91Å; D44-H264 PolarHBondContact OD2-ND1 3Å; T45-H264 HydrophobicContact CG2-CB 4.4Å; G262-H264 VanDerWaalsContact C-N 3.31Å; H264-T266 VanDerWaalsContact C-N 3.35Å; H264-T266 PolarHBondContact O-N 3.09Å; H264-H267 WeakPolarHBondContact O-CB 3.39Å; H264-H267 PolarHBondContact O-N 3.06Å; H264-H267 VanDerWaalsContact O-N 3.11Å; H264-V268 WeakPolarHBondContact O-CG2 3.48Å; H264-V268 PolarHBondContact O-N 3.05Å; H264-S328 PolarHBondContact CE1-O 3.46Å; H264-S449 WeakPolarHBondContact NE2-CB 3.34Å |
| 265 | G | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -67.6 | -35.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | D44 T45 A269 | D44-G265 WeakPolarHBondContact OD1-CA 3.31Å; D44-G265 PolarHBondContact OD1-N 2.78Å; T45-G265 PolarHBondContact OG1-N 2.87Å; G265-A269 VanDerWaalsContact O-CB 3.3Å; G265-A269 WeakPolarHBondContact O-CB 3.2Å; G265-A269 PolarHBondContact O-N 3.44Å |
| 266 | T | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -69.5 | -37.6 | 174.4 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | D48 A51 H264 A269 S270 S433 P435 | D48-T266 HydrophobicContact CB-CG2 4.32Å; D48-T266 PolarHBondContact N-OG1 3.38Å; A51-T266 HydrophobicContact CB-CG2 3.45Å; A51-T266 VanDerWaalsContact CB-CG2 3.45Å; H264-T266 VanDerWaalsContact C-N 3.35Å; H264-T266 PolarHBondContact O-N 3.09Å; T266-A269 PolarHBondContact O-N 2.91Å; T266-S270 VanDerWaalsContact O-CB 3.22Å; T266-S270 WeakPolarHBondContact O-CB 3.43Å; T266-S270 PolarHBondContact O-N 3.04Å; T266-S433 CarbonylContact C-O 3.52Å; T266-P435 WeakPolarHBondContact OG1-CG 3.37Å |
| 267 | H | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 175.3 | -171.2 | -84 | 0 | 0 | 0 | 111.2 | A263 H264 S270 I271 A430 A432 S433 V434 Q443 M445 | A263-H267 PolarHBondContact O-N 2.9Å; H264-H267 WeakPolarHBondContact O-CB 3.39Å; H264-H267 PolarHBondContact O-N 3.06Å; H264-H267 VanDerWaalsContact O-N 3.11Å; H267-S270 WeakPolarHBondContact O-CB 3.4Å; H267-S270 PolarHBondContact O-N 3.49Å; H267-I271 WeakPolarHBondContact ND1-CD1 3.46Å; H267-I271 WeakPolarHBondContact O-CG1 3.34Å; H267-I271 PolarHBondContact O-N 3.27Å; H267-A430 PolarHBondContact CE1-O 2.9Å; H267-A430 PolarHBondContact NE2-O 3.37Å; H267-A430 VanDerWaalsContact NE2-O 3.12Å; H267-A432 PolarHBondContact CD2-O 2.88Å; H267-A432 PolarHBondContact NE2-N 3.16Å; H267-S433 WeakPolarHBondContact CA-O 3.42Å; H267-S433 PolarHBondContact N-O 2.93Å; H267-V434 HydrophobicContact CB-CG1 4.31Å; H267-Q443 PolarHBondContact CD2-O 3.43Å; H267-Q443 VanDerWaalsContact CD2-O 3.26Å; H267-Q443 PolarHBondContact NE2-O 3.15Å; H267-M445 HydrophobicContact CB-CE 4.37Å; H267-M445 HydrophobicContact CB-SD 3.99Å |
| 268 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.1 | -49 | 175.1 | 167.2 | 0 | 0 | 0 | 0 | 112 | V42 H264 S270 I271 A272 N326 M450 P453 | V42-V268 HydrophobicContact CG1-CG1 3.93Å; H264-V268 WeakPolarHBondContact O-CG2 3.48Å; H264-V268 PolarHBondContact O-N 3.05Å; V268-S270 VanDerWaalsContact C-N 3.32Å; V268-S270 PolarHBondContact O-N 3.3Å; V268-I271 PolarHBondContact O-N 3.31Å; V268-A272 PolarHBondContact O-N 2.88Å; V268-A272 VanDerWaalsContact O-N 3.1Å; V268-N326 WeakPolarHBondContact CG1-ND2 3.39Å; V268-M450 HydrophobicContact CG2-CE 4.02Å; V268-P453 HydrophobicContact CB-CG 4.37Å; V268-P453 HydrophobicContact CG1-CB 3.85Å; V268-P453 HydrophobicContact CG1-CG 3.96Å; V268-P453 HydrophobicContact CG2-CG 4.37Å; V268-P453 VanDerWaalsContact O-CB 3.32Å; V268-P453 WeakPolarHBondContact O-CB 3.39Å |
| 269 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.9 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V42 V47 M54 G265 T266 A272 A273 I291 | V42-A269 HydrophobicContact CG1-CB 4.47Å; V42-A269 HydrophobicContact CG2-CB 4.29Å; V47-A269 HydrophobicContact CB-CB 4.46Å; V47-A269 HydrophobicContact CG1-CB 3.85Å; V47-A269 HydrophobicContact CG2-CB 3.68Å; M54-A269 HydrophobicContact SD-CB 3.97Å; G265-A269 VanDerWaalsContact O-CB 3.3Å; G265-A269 WeakPolarHBondContact O-CB 3.2Å; G265-A269 PolarHBondContact O-N 3.44Å; T266-A269 PolarHBondContact O-N 2.91Å; A269-A272 PolarHBondContact O-N 3.44Å; A269-A273 PolarHBondContact O-N 2.98Å; A269-I291 HydrophobicContact CB-CD1 3.87Å |
| 270 | S | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 177.5 | -176 | 0 | 0 | 0 | 0 | 112.2 | T266 H267 V268 G274 G284 S433 | T266-S270 VanDerWaalsContact O-CB 3.22Å; T266-S270 WeakPolarHBondContact O-CB 3.43Å; T266-S270 PolarHBondContact O-N 3.04Å; H267-S270 WeakPolarHBondContact O-CB 3.4Å; H267-S270 PolarHBondContact O-N 3.49Å; V268-S270 VanDerWaalsContact C-N 3.32Å; V268-S270 PolarHBondContact O-N 3.3Å; S270-G274 WeakPolarHBondContact O-CA 3.47Å; S270-G274 PolarHBondContact O-N 3.38Å; S270-G284 VanDerWaalsContact O-CA 3.27Å; S270-G284 WeakPolarHBondContact O-CA 3.3Å; S270-S433 PolarHBondContact OG-N 3.45Å |
| 271 | I | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -48.6 | 173.6 | -65.6 | 163.8 | 0 | 0 | 0 | 111 | H267 V268 G284 V285 A430 A432 M450 P453 N454 | H267-I271 WeakPolarHBondContact ND1-CD1 3.46Å; H267-I271 WeakPolarHBondContact O-CG1 3.34Å; H267-I271 PolarHBondContact O-N 3.27Å; V268-I271 PolarHBondContact O-N 3.31Å; I271-G284 CarbonylContact O-C 3.46Å; I271-G284 WeakPolarHBondContact O-CA 3.41Å; I271-V285 PolarHBondContact O-N 3.48Å; I271-A430 HydrophobicContact CD1-CB 3.73Å; I271-A430 HydrophobicContact CG1-CB 3.75Å; I271-A432 HydrophobicContact CG1-CB 3.88Å; I271-M450 HydrophobicContact CD1-CB 3.93Å; I271-M450 HydrophobicContact CD1-CG 3.63Å; I271-P453 HydrophobicContact CB-CB 4.1Å; I271-P453 HydrophobicContact CB-CG 4.11Å; I271-P453 HydrophobicContact CD1-CG 4.06Å; I271-P453 HydrophobicContact CG2-CB 4.04Å; I271-P453 HydrophobicContact CG2-CG 4.03Å; I271-N454 HydrophobicContact CG2-CB 4.06Å |
| 272 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -49.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I40 V268 A269 V285 A286 P453 | I40-A272 HydrophobicContact CD1-CB 4.4Å; V268-A272 PolarHBondContact O-N 2.88Å; V268-A272 VanDerWaalsContact O-N 3.1Å; A269-A272 PolarHBondContact O-N 3.44Å; A272-V285 PolarHBondContact O-N 2.83Å; A272-A286 PolarHBondContact O-N 2.9Å; A272-P453 HydrophobicContact CB-CB 4.01Å |
| 273 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -149.1 | 17.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I40 K63 A269 A286 A289 I291 | I40-A273 HydrophobicContact CD1-CB 4.35Å; K63-A273 VanDerWaalsContact CE-O 3.29Å; K63-A273 WeakPolarHBondContact CE-O 3.3Å; K63-A273 PolarHBondContact NZ-O 2.84Å; A269-A273 PolarHBondContact O-N 2.98Å; A273-A286 VanDerWaalsContact CA-O 3.31Å; A273-A286 WeakPolarHBondContact CA-O 3.5Å; A273-A286 VanDerWaalsContact CB-O 3.26Å; A273-A286 WeakPolarHBondContact CB-O 3.39Å; A273-A289 HydrophobicContact CB-CB 4.03Å; A273-I291 HydrophobicContact CB-CD1 4.08Å; A273-I291 HydrophobicContact CB-CG1 4.2Å |
| 274 | G | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -58.5 | 141 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | M54 S270 N283 G284 | M54-G274 VanDerWaalsContact CE-CA 3.49Å; S270-G274 WeakPolarHBondContact O-CA 3.47Å; S270-G274 PolarHBondContact O-N 3.38Å; G274-N283 CarbonylContact O-C 3.31Å; G274-N283 WeakPolarHBondContact O-CA 3.49Å; G274-G284 PolarHBondContact O-N 2.91Å | ||
| 275 | H | 98.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 29.1 Ų | 29.1 | 11% | 0.111 | 15% | 0.147 | C | C | . | . | trans | -132 | 119.5 | -177.8 | 174.9 | -125.5 | 0 | 0 | 0 | 112.1 | G53 V56 T57 N283 P287 | G53-H275 VanDerWaalsContact CA-O 3.26Å; G53-H275 WeakPolarHBondContact CA-O 3.29Å; G53-H275 PolarHBondContact O-N 3.02Å; V56-H275 WeakPolarHBondContact O-CB 3.41Å; V56-H275 PolarHBondContact O-ND1 2.84Å; T57-H275 PolarHBondContact O-CE1 3.2Å; T57-H275 PolarHBondContact O-ND1 2.74Å; H275-N283 WeakPolarHBondContact CA-OD1 3.29Å; H275-P287 HydrophobicContact CB-CB 4.03Å | ||
| 276 | F | 97.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 5% | 0.053 | 15% | 0.147 | C | C | . | . | trans | -120.6 | 93.7 | -176.4 | -61.2 | -95.3 | 0 | 0 | 0 | 108.7 | P52 E278 E279 R282 N283 S433 | P52-F276 HydrophobicContact CB-CE1 3.83Å; P52-F276 WeakPolarHBondContact O-CE1 3.28Å; P52-F276 VanDerWaalsContact O-CZ 3.32Å; P52-F276 WeakPolarHBondContact O-CZ 3.43Å; F276-E278 VanDerWaalsContact C-N 3.26Å; F276-E278 PolarHBondContact O-N 3.33Å; F276-E279 HydrophobicContact CB-CB 4.22Å; F276-E279 WeakPolarHBondContact CB-O 3.37Å; F276-E279 CarbonylContact O-C 3.59Å; F276-E279 VanDerWaalsContact O-C 3.31Å; F276-E279 PolarHBondContact O-N 2.83Å; F276-R282 HydrophobicContact CB-CB 4.23Å; F276-R282 HydrophobicContact CD1-CB 4.26Å; F276-R282 VanDerWaalsContact CD2-C 3.47Å; F276-R282 HydrophobicContact CD2-CB 3.64Å; F276-R282 VanDerWaalsContact CD2-O 3.27Å; F276-R282 WeakPolarHBondContact CD2-O 3.48Å; F276-R282 HydrophobicContact CE2-CB 3.99Å; F276-R282 WeakPolarHBondContact CE2-O 3.24Å; F276-R282 HydrophobicContact CG-CB 3.79Å; F276-R282 HydrophobicContact CZ-CB 4.42Å; F276-N283 PolarHBondContact N-OD1 3.5Å; F276-S433 WeakPolarHBondContact CZ-OG 3.26Å | ||
| 277 | P | 93.7 | Very high | 96.6 | Very high | 79 Ų | 79 | 29.5 Ų | 29.5 | 51% | 0.513 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -56.9 | -39.2 | -177.4 | -25.6 | 32.6 | 0 | 0 | 0 | 113.6 | ||
| 278 | E | 94.2 | Very high | 96.6 | Very high | 176 Ų | 176 | 29.6 Ų | 29.6 | 82% | 0.822 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -86.3 | -17 | -176.7 | -54.2 | -56.5 | 143.9 | 0 | 0 | 113.3 | F276 | F276-E278 VanDerWaalsContact C-N 3.26Å; F276-E278 PolarHBondContact O-N 3.33Å |
| 279 | E | 92.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 29.6 Ų | 29.6 | 38% | 0.379 | 15% | 0.15 | S | C | . | . | trans | -136.9 | 65.7 | -177.1 | -66.4 | 174.8 | 97.7 | 0 | 0 | 110.7 | F276 E281 R282 | F276-E279 HydrophobicContact CB-CB 4.22Å; F276-E279 WeakPolarHBondContact CB-O 3.37Å; F276-E279 CarbonylContact O-C 3.59Å; F276-E279 VanDerWaalsContact O-C 3.31Å; F276-E279 PolarHBondContact O-N 2.83Å; E279-E281 WeakPolarHBondContact CB-OE1 3.32Å; E279-E281 PolarHBondContact O-N 2.89Å; E279-R282 HydrophobicContact CB-CB 4.46Å; E279-R282 HydrophobicContact CB-CG 4.06Å; E279-R282 WeakPolarHBondContact O-CB 3.41Å; E279-R282 PolarHBondContact O-N 2.92Å; E279-R282 WeakPolarHBondContact OE1-CD 3.28Å; E279-R282 IonicContact OE1-NH1 3.78Å; E279-R282 IonicContact OE2-CZ 2.72Å; E279-R282 IonicContact OE2-NH1 3.62Å; E279-R282 PolarHBondContact OE2-NH1 3.24Å | ||
| 280 | P | 91.8 | Very high | 96.6 | Very high | 72 Ų | 72 | 31.7 Ų | 31.7 | 47% | 0.468 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -60.1 | -21.1 | -171.5 | -24.9 | 35.6 | 0 | 0 | 0 | 115.1 | R282 N283 | P280-R282 PolarHBondContact O-N 2.79Å; P280-N283 WeakPolarHBondContact CA-ND2 3.5Å; P280-N283 WeakPolarHBondContact O-CB 3.27Å; P280-N283 VanDerWaalsContact O-CG 3.23Å; P280-N283 PolarHBondContact O-N 3.05Å; P280-N283 VanDerWaalsContact O-N 3.15Å; P280-N283 PolarHBondContact O-ND2 2.66Å |
| 281 | E | 89.6 | Confident | 96.6 | Very high | 81 Ų | 81 | 31.6 Ų | 31.6 | 38% | 0.379 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -62.4 | -23.7 | 172.3 | 70.1 | -75 | 177.1 | 0 | 0 | 113.1 | F12 E279 | F12-E281 HydrophobicContact CB-CB 4.17Å; F12-E281 HydrophobicContact CB-CG 4.11Å; F12-E281 HydrophobicContact CD1-CG 4.02Å; F12-E281 HydrophobicContact CG-CG 4.08Å; E279-E281 WeakPolarHBondContact CB-OE1 3.32Å; E279-E281 PolarHBondContact O-N 2.89Å |
| 282 | R | 93.3 | Very high | 96.6 | Very high | 67 Ų | 67 | 31.6 Ų | 31.6 | 25% | 0.253 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -86.6 | -7.3 | 176.3 | -61.3 | 178.3 | 60.1 | -169.2 | -2.5 | 113.5 | F276 E279 P280 | F276-R282 HydrophobicContact CB-CB 4.23Å; F276-R282 HydrophobicContact CD1-CB 4.26Å; F276-R282 VanDerWaalsContact CD2-C 3.47Å; F276-R282 HydrophobicContact CD2-CB 3.64Å; F276-R282 VanDerWaalsContact CD2-O 3.27Å; F276-R282 WeakPolarHBondContact CD2-O 3.48Å; F276-R282 HydrophobicContact CE2-CB 3.99Å; F276-R282 WeakPolarHBondContact CE2-O 3.24Å; F276-R282 HydrophobicContact CG-CB 3.79Å; F276-R282 HydrophobicContact CZ-CB 4.42Å; E279-R282 HydrophobicContact CB-CB 4.46Å; E279-R282 HydrophobicContact CB-CG 4.06Å; E279-R282 WeakPolarHBondContact O-CB 3.41Å; E279-R282 PolarHBondContact O-N 2.92Å; E279-R282 WeakPolarHBondContact OE1-CD 3.28Å; E279-R282 IonicContact OE1-NH1 3.78Å; E279-R282 IonicContact OE2-CZ 2.72Å; E279-R282 IonicContact OE2-NH1 3.62Å; E279-R282 PolarHBondContact OE2-NH1 3.24Å; P280-R282 PolarHBondContact O-N 2.79Å |
| 283 | N | 96.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 10% | 0.096 | 16% | 0.159 | C | C | . | . | trans | -52.9 | 145.1 | 178.9 | -75.2 | -21.9 | 0 | 0 | 0 | 111.1 | L16 K18 G274 H275 F276 P280 P287 | L16-N283 WeakPolarHBondContact CD1-O 3.2Å; K18-N283 WeakPolarHBondContact CE-O 3.49Å; K18-N283 PolarHBondContact NZ-O 3.14Å; G274-N283 CarbonylContact O-C 3.31Å; G274-N283 WeakPolarHBondContact O-CA 3.49Å; H275-N283 WeakPolarHBondContact CA-OD1 3.29Å; F276-N283 PolarHBondContact N-OD1 3.5Å; P280-N283 WeakPolarHBondContact CA-ND2 3.5Å; P280-N283 WeakPolarHBondContact O-CB 3.27Å; P280-N283 VanDerWaalsContact O-CG 3.23Å; P280-N283 PolarHBondContact O-N 3.05Å; P280-N283 VanDerWaalsContact O-N 3.15Å; P280-N283 PolarHBondContact O-ND2 2.66Å; N283-P287 HydrophobicContact CB-CB 4.1Å; N283-P287 HydrophobicContact CB-CG 4.28Å | ||
| 284 | G | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -61.3 | -178.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K18 S270 I271 G274 | K18-G284 VanDerWaalsContact CE-O 3.26Å; K18-G284 WeakPolarHBondContact CE-O 3.27Å; K18-G284 PolarHBondContact NZ-O 3.48Å; S270-G284 VanDerWaalsContact O-CA 3.27Å; S270-G284 WeakPolarHBondContact O-CA 3.3Å; I271-G284 CarbonylContact O-C 3.46Å; I271-G284 WeakPolarHBondContact O-CA 3.41Å; G274-G284 PolarHBondContact O-N 2.91Å | ||
| 285 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -66.5 | -42.1 | -178.9 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | L16 K18 A23 I271 A272 P287 L461 | L16-V285 HydrophobicContact CD2-CG2 4.13Å; K18-V285 HydrophobicContact CG-CG2 4.34Å; A23-V285 HydrophobicContact CB-CG1 3.89Å; I271-V285 PolarHBondContact O-N 3.48Å; A272-V285 PolarHBondContact O-N 2.83Å; V285-P287 WeakPolarHBondContact O-CD 3.49Å; V285-L461 HydrophobicContact CG1-CD1 3.98Å |
| 286 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -121.8 | 74.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D34 A272 A273 G288 A289 G457 A460 L461 | D34-A286 CarbonylContact O-C 3.47Å; D34-A286 VanDerWaalsContact O-CA 3.28Å; D34-A286 WeakPolarHBondContact O-CA 3.31Å; A272-A286 PolarHBondContact O-N 2.9Å; A273-A286 VanDerWaalsContact CA-O 3.31Å; A273-A286 WeakPolarHBondContact CA-O 3.5Å; A273-A286 VanDerWaalsContact CB-O 3.26Å; A273-A286 WeakPolarHBondContact CB-O 3.39Å; A286-G288 PolarHBondContact O-N 3.27Å; A286-G288 VanDerWaalsContact O-N 3.12Å; A286-A289 HydrophobicContact CB-CB 4.17Å; A286-A289 WeakPolarHBondContact O-CB 3.37Å; A286-A289 PolarHBondContact O-N 3.14Å; A286-A289 VanDerWaalsContact O-N 3.07Å; A286-G457 WeakPolarHBondContact CB-O 3.48Å; A286-A460 HydrophobicContact CB-CB 3.78Å; A286-L461 HydrophobicContact CB-CD2 3.83Å; A286-L461 HydrophobicContact CB-CG 4.22Å | ||
| 287 | P | 98.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -13.5 | -174.4 | 28.9 | -36.2 | 0 | 0 | 0 | 114.4 | T58 K63 H275 N283 V285 | T58-P287 HydrophobicContact CG2-CB 3.88Å; T58-P287 HydrophobicContact CG2-CG 4Å; T58-P287 PolarHBondContact N-O 3.23Å; K63-P287 PolarHBondContact NZ-O 2.86Å; H275-P287 HydrophobicContact CB-CB 4.03Å; N283-P287 HydrophobicContact CB-CB 4.1Å; N283-P287 HydrophobicContact CB-CG 4.28Å; V285-P287 WeakPolarHBondContact O-CD 3.49Å |
| 288 | G | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -15 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | D34 G35 R36 T58 A286 | D34-G288 WeakPolarHBondContact O-CA 3.47Å; D34-G288 PolarHBondContact O-N 2.84Å; G35-G288 VanDerWaalsContact C-C 3.47Å; R36-G288 WeakPolarHBondContact CA-O 3.4Å; T58-G288 WeakPolarHBondContact OG1-CA 3.3Å; A286-G288 PolarHBondContact O-N 3.27Å; A286-G288 VanDerWaalsContact O-N 3.12Å |
| 289 | A | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -73.1 | 148.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G35 I40 K63 A273 A286 A460 | G35-A289 VanDerWaalsContact O-CA 3.24Å; G35-A289 WeakPolarHBondContact O-CA 3.23Å; G35-A289 PolarHBondContact O-N 2.96Å; I40-A289 HydrophobicContact CD1-CB 3.8Å; I40-A289 HydrophobicContact CG1-CB 4.2Å; K63-A289 WeakPolarHBondContact CD-O 3.48Å; K63-A289 PolarHBondContact NZ-O 3.21Å; A273-A289 HydrophobicContact CB-CB 4.03Å; A286-A289 HydrophobicContact CB-CB 4.17Å; A286-A289 WeakPolarHBondContact O-CB 3.37Å; A286-A289 PolarHBondContact O-N 3.14Å; A286-A289 VanDerWaalsContact O-N 3.07Å; A289-A460 HydrophobicContact CB-CB 4.45Å | ||
| 290 | Q | 98.8 | Very high | 96 | Very high | 44 Ų | 44 | 17.8 Ų | 17.8 | 21% | 0.206 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 157.2 | 172.3 | -67.8 | -174.8 | -84.3 | 0 | 0 | 110.7 | V38 L39 I40 T57 P62 K63 I65 | V38-Q290 PolarHBondContact O-N 2.99Å; L39-Q290 HydrophobicContact CD1-CB 4.12Å; I40-Q290 PolarHBondContact N-O 3.5Å; T57-Q290 HydrophobicContact CG2-CG 3.7Å; P62-Q290 PolarHBondContact O-NE2 2.9Å; K63-Q290 CarbonylContact O-C 3.51Å; K63-Q290 WeakPolarHBondContact O-CA 3.36Å; I65-Q290 HydrophobicContact CG2-CB 3.97Å; I65-Q290 HydrophobicContact CG2-CG 4.3Å |
| 291 | I | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.3 | -173.5 | -59.1 | -178.7 | 0 | 0 | 0 | 110.5 | I40 V42 M54 K63 I64 I65 A269 A273 | I40-I291 CarbonylContact O-C 3.56Å; I40-I291 VanDerWaalsContact O-CA 3.31Å; I40-I291 WeakPolarHBondContact O-CA 3.45Å; V42-I291 HydrophobicContact CB-CG2 4.32Å; V42-I291 HydrophobicContact CG2-CG2 3.84Å; M54-I291 HydrophobicContact CE-CD1 4.44Å; M54-I291 HydrophobicContact SD-CD1 4.1Å; K63-I291 HydrophobicContact CD-CD1 4.06Å; K63-I291 HydrophobicContact CD-CG1 4.13Å; K63-I291 HydrophobicContact CG-CD1 4.3Å; K63-I291 PolarHBondContact O-N 3.49Å; I64-I291 CarbonylContact C-O 3.56Å; I64-I291 WeakPolarHBondContact CA-O 3.43Å; I64-I291 HydrophobicContact CG1-CB 4.45Å; I65-I291 WeakPolarHBondContact CG1-O 3.39Å; I65-I291 PolarHBondContact N-O 2.74Å; A269-I291 HydrophobicContact CB-CD1 3.87Å; A273-I291 HydrophobicContact CB-CD1 4.08Å; A273-I291 HydrophobicContact CB-CG1 4.2Å |
| 292 | L | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 111.7 | 160.8 | 173.3 | 61.5 | 0 | 0 | 0 | 107.9 | L39 I40 A41 V42 I65 D66 I68 I294 H320 C322 | L39-L292 HydrophobicContact CD1-CB 4.2Å; I40-L292 PolarHBondContact O-N 3.47Å; A41-L292 CarbonylContact C-O 3.58Å; A41-L292 WeakPolarHBondContact CA-O 3.49Å; A41-L292 HydrophobicContact CB-CB 4.37Å; A41-L292 HydrophobicContact CB-CD2 4.36Å; V42-L292 PolarHBondContact N-O 2.87Å; I65-L292 HydrophobicContact CG1-CB 4.45Å; D66-L292 HydrophobicContact CB-CD1 3.5Å; I68-L292 HydrophobicContact CD1-CD1 4.01Å; I68-L292 HydrophobicContact CG1-CD1 4.5Å; L292-I294 HydrophobicContact CD2-CD1 3.82Å; L292-I294 HydrophobicContact CD2-CG1 4.21Å; L292-I294 HydrophobicContact CG-CD1 4.03Å; L292-I294 HydrophobicContact CG-CG1 3.84Å; L292-H320 HydrophobicContact CD2-CB 3.81Å; L292-C322 WeakPolarHBondContact CD2-SG 3.42Å |
| 293 | S | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 113.4 | -179.7 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | V47 D66 I67 I68 | V47-S293 WeakPolarHBondContact CB-OG 2.92Å; V47-S293 PolarHBondContact N-OG 3.47Å; D66-S293 PolarHBondContact O-N 3.19Å; I67-S293 WeakPolarHBondContact CA-O 3.32Å; I68-S293 PolarHBondContact N-O 3.47Å |
| 294 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 109.9 | 178 | -51.3 | -172.1 | 0 | 0 | 0 | 109.3 | A41 V42 L43 D44 T70 L292 I296 A313 E316 V317 | A41-I294 HydrophobicContact CB-CD1 4.42Å; V42-I294 PolarHBondContact O-N 2.72Å; L43-I294 WeakPolarHBondContact CA-O 3.46Å; L43-I294 HydrophobicContact CD1-CB 4.03Å; L43-I294 HydrophobicContact CD1-CD1 3.82Å; L43-I294 HydrophobicContact CD1-CG1 4.21Å; L43-I294 HydrophobicContact CG-CB 4.19Å; L43-I294 HydrophobicContact CG-CG2 4.44Å; D44-I294 PolarHBondContact N-O 3.05Å; T70-I294 HydrophobicContact CG2-CG2 3.46Å; T70-I294 VanDerWaalsContact CG2-CG2 3.46Å; L292-I294 HydrophobicContact CD2-CD1 3.82Å; L292-I294 HydrophobicContact CD2-CG1 4.21Å; L292-I294 HydrophobicContact CG-CD1 4.03Å; L292-I294 HydrophobicContact CG-CG1 3.84Å; I294-I296 HydrophobicContact CG2-CG2 4.1Å; I294-I296 PolarHBondContact O-N 2.82Å; I294-A313 HydrophobicContact CD1-CB 4.46Å; I294-A313 HydrophobicContact CG2-CB 3.66Å; I294-E316 HydrophobicContact CD1-CB 4Å; I294-V317 HydrophobicContact CD1-CG2 3.98Å |
| 295 | K | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 111.5 | 173.5 | 174.1 | -174.3 | 166.3 | -152 | 0 | 109.5 | D44 I68 D69 T70 S73 T259 G297 T299 | D44-K295 CarbonylContact O-C 3.47Å; D44-K295 VanDerWaalsContact O-CA 3.27Å; D44-K295 WeakPolarHBondContact O-CA 3.24Å; I68-K295 PolarHBondContact O-N 3.44Å; D69-K295 HydrophobicContact CB-CD 4.35Å; D69-K295 IonicContact OD2-NZ 3.56Å; D69-K295 PolarHBondContact OD2-NZ 2.77Å; T70-K295 PolarHBondContact N-O 3.5Å; T70-K295 PolarHBondContact OG1-O 2.92Å; S73-K295 PolarHBondContact OG-NZ 2.83Å; T259-K295 WeakPolarHBondContact O-CD 3.49Å; K295-G297 VanDerWaalsContact CE-O 3.24Å; K295-G297 WeakPolarHBondContact CE-O 3.31Å; K295-T299 PolarHBondContact NZ-OG1 3.02Å |
| 296 | I | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -106.2 | -18.5 | 175.2 | 60.4 | 165.2 | 0 | 0 | 0 | 112.9 | L43 D44 T71 I294 D298 E305 L310 A313 Y327 Y329 | L43-I296 HydrophobicContact CB-CD1 4.09Å; L43-I296 HydrophobicContact CB-CG2 4.24Å; L43-I296 HydrophobicContact CD2-CG2 4.4Å; L43-I296 HydrophobicContact CG-CG2 4.08Å; D44-I296 WeakPolarHBondContact O-CG1 3.06Å; D44-I296 PolarHBondContact O-N 3.03Å; T71-I296 WeakPolarHBondContact CG2-O 3.33Å; I294-I296 HydrophobicContact CG2-CG2 4.1Å; I294-I296 PolarHBondContact O-N 2.82Å; I296-D298 PolarHBondContact O-N 2.91Å; I296-E305 HydrophobicContact CD1-CB 4.37Å; I296-L310 HydrophobicContact CB-CD2 4.39Å; I296-L310 HydrophobicContact CD1-CD2 3.89Å; I296-L310 HydrophobicContact CG2-CD2 4.28Å; I296-A313 HydrophobicContact CG2-CB 3.86Å; I296-Y327 HydrophobicContact CD1-CD2 4Å; I296-Y327 HydrophobicContact CD1-CE2 3.3Å; I296-Y329 HydrophobicContact CD1-CD2 4.11Å; I296-Y329 HydrophobicContact CD1-CG 4.11Å | ||
| 297 | G | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 112.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | D44 K295 T299 T303 | D44-G297 PolarHBondContact O-N 3Å; K295-G297 VanDerWaalsContact CE-O 3.24Å; K295-G297 WeakPolarHBondContact CE-O 3.31Å; G297-T299 PolarHBondContact O-N 2.81Å; G297-T303 VanDerWaalsContact CA-O 3.31Å; G297-T303 WeakPolarHBondContact CA-O 3.36Å |
| 298 | D | 93.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 117 | -174.9 | -166 | -44.3 | 0 | 0 | 0 | 110.8 | T71 S73 I296 R300 L301 S302 T303 M304 T306 | T71-D298 HydrophobicContact CG2-CB 4.07Å; S73-D298 WeakPolarHBondContact CB-OD1 3.24Å; I296-D298 PolarHBondContact O-N 2.91Å; D298-R300 PolarHBondContact O-N 2.55Å; D298-R300 VanDerWaalsContact O-N 3.17Å; D298-R300 WeakPolarHBondContact OD1-CA 3.48Å; D298-R300 WeakPolarHBondContact OD1-CB 3.34Å; D298-R300 WeakPolarHBondContact OD1-CG 3.46Å; D298-R300 IonicContact OD1-CZ 3.19Å; D298-R300 PolarHBondContact OD1-N 3.16Å; D298-R300 IonicContact OD1-NE 2.69Å; D298-R300 PolarHBondContact OD1-NE 2.99Å; D298-R300 IonicContact OD1-NH2 2.8Å; D298-R300 IonicContact OD2-CZ 2.8Å; D298-R300 IonicContact OD2-NE 3.9Å; D298-R300 PolarHBondContact OD2-NE 3.43Å; D298-R300 IonicContact OD2-NH2 3.83Å; D298-R300 PolarHBondContact OD2-NH2 3.13Å; D298-L301 HydrophobicContact CB-CB 4.29Å; D298-L301 HydrophobicContact CB-CD1 4.22Å; D298-L301 HydrophobicContact CB-CG 4.24Å; D298-L301 CarbonylContact O-C 3.57Å; D298-L301 PolarHBondContact O-N 2.89Å; D298-S302 PolarHBondContact O-N 3.44Å; D298-T303 VanDerWaalsContact O-CA 3.3Å; D298-T303 WeakPolarHBondContact O-CA 3.11Å; D298-T303 PolarHBondContact O-N 3.44Å; D298-M304 PolarHBondContact N-O 3.36Å; D298-T306 HydrophobicContact CB-CG2 3.96Å |
| 299 | T | 91.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 15.7 Ų | 15.7 | 13% | 0.129 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -62.1 | -25.3 | -178.2 | -50.5 | 0 | 0 | 0 | 0 | 112.6 | D119 K295 G297 L301 | D119-T299 WeakPolarHBondContact O-CG2 3.45Å; K295-T299 PolarHBondContact NZ-OG1 3.02Å; G297-T299 PolarHBondContact O-N 2.81Å; T299-L301 PolarHBondContact O-N 3.48Å |
| 300 | R | 88.1 | Confident | 94.3 | Very high | 61 Ų | 61 | 15.9 Ų | 15.9 | 23% | 0.23 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -70.7 | -17.3 | 175.4 | -55.4 | 170.9 | -70.9 | -167.2 | -2.8 | 112.6 | T71 D298 S869 | T71-R300 PolarHBondContact O-NH2 2.78Å; D298-R300 PolarHBondContact O-N 2.55Å; D298-R300 VanDerWaalsContact O-N 3.17Å; D298-R300 WeakPolarHBondContact OD1-CA 3.48Å; D298-R300 WeakPolarHBondContact OD1-CB 3.34Å; D298-R300 WeakPolarHBondContact OD1-CG 3.46Å; D298-R300 IonicContact OD1-CZ 3.19Å; D298-R300 PolarHBondContact OD1-N 3.16Å; D298-R300 IonicContact OD1-NE 2.69Å; D298-R300 PolarHBondContact OD1-NE 2.99Å; D298-R300 IonicContact OD1-NH2 2.8Å; D298-R300 IonicContact OD2-CZ 2.8Å; D298-R300 IonicContact OD2-NE 3.9Å; D298-R300 PolarHBondContact OD2-NE 3.43Å; D298-R300 IonicContact OD2-NH2 3.83Å; D298-R300 PolarHBondContact OD2-NH2 3.13Å; R300-S869 PolarHBondContact O-OG 3.19Å |
| 301 | L | 89.8 | Confident | 94.2 | Very high | 10 Ų | 10 | 13.9 Ų | 13.9 | 5% | 0.052 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -120.1 | 30.9 | -176.7 | -55.4 | 179.7 | 0 | 0 | 0 | 111.6 | D298 T299 T303 M304 T306 L856 G870 D871 | D298-L301 HydrophobicContact CB-CB 4.29Å; D298-L301 HydrophobicContact CB-CD1 4.22Å; D298-L301 HydrophobicContact CB-CG 4.24Å; D298-L301 CarbonylContact O-C 3.57Å; D298-L301 PolarHBondContact O-N 2.89Å; T299-L301 PolarHBondContact O-N 3.48Å; L301-T303 PolarHBondContact O-N 2.85Å; L301-M304 HydrophobicContact CB-CB 4.05Å; L301-M304 HydrophobicContact CD1-CE 4.08Å; L301-M304 WeakPolarHBondContact O-CB 3.42Å; L301-M304 PolarHBondContact O-N 2.86Å; L301-M304 VanDerWaalsContact O-N 3.14Å; L301-T306 HydrophobicContact CD1-CG2 3.56Å; L301-L856 HydrophobicContact CD1-CD1 3.83Å; L301-L856 HydrophobicContact CD2-CD1 4.03Å; L301-L856 HydrophobicContact CG-CD1 4.18Å; L301-G870 VanDerWaalsContact CD2-CA 3.45Å; L301-D871 HydrophobicContact CD1-CB 3.68Å |
| 302 | S | 85.9 | Confident | 94.2 | Very high | 85 Ų | 85 | 14.9 Ų | 14.9 | 59% | 0.594 | 8% | 0.084 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 40.1 | -177.3 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | D298 M304 | D298-S302 PolarHBondContact O-N 3.44Å; S302-M304 VanDerWaalsContact C-N 3.34Å; S302-M304 PolarHBondContact O-N 3.16Å |
| 303 | T | 89.9 | Confident | 94.1 | Very high | 38 Ų | 38 | 14.9 Ų | 14.9 | 23% | 0.233 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 20.1 | 179.8 | 67.6 | 0 | 0 | 0 | 0 | 116.3 | T45 G261 G297 D298 L301 Y329 | T45-T303 HydrophobicContact CG2-CG2 4.24Å; G261-T303 VanDerWaalsContact O-CG2 3.31Å; G261-T303 WeakPolarHBondContact O-CG2 3.39Å; G297-T303 VanDerWaalsContact CA-O 3.31Å; G297-T303 WeakPolarHBondContact CA-O 3.36Å; D298-T303 VanDerWaalsContact O-CA 3.3Å; D298-T303 WeakPolarHBondContact O-CA 3.11Å; D298-T303 PolarHBondContact O-N 3.44Å; L301-T303 PolarHBondContact O-N 2.85Å; T303-Y329 VanDerWaalsContact O-CE1 3.28Å; T303-Y329 WeakPolarHBondContact O-CE1 3.38Å; T303-Y329 PolarHBondContact O-OH 3Å |
| 304 | M | 90.8 | Very high | 94.1 | Very high | 27 Ų | 27 | 15 Ų | 15 | 13% | 0.133 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 141.9 | 167.8 | -164.8 | 179.1 | 81.6 | 0 | 0 | 110.6 | D298 L301 S302 D871 Y873 | D298-M304 PolarHBondContact N-O 3.36Å; L301-M304 HydrophobicContact CB-CB 4.05Å; L301-M304 HydrophobicContact CD1-CE 4.08Å; L301-M304 WeakPolarHBondContact O-CB 3.42Å; L301-M304 PolarHBondContact O-N 2.86Å; L301-M304 VanDerWaalsContact O-N 3.14Å; S302-M304 VanDerWaalsContact C-N 3.34Å; S302-M304 PolarHBondContact O-N 3.16Å; M304-D871 HydrophobicContact CE-CB 3.7Å; M304-Y873 HydrophobicContact SD-CD2 3.97Å |
| 305 | E | 92.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 15 Ų | 15 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 152.9 | 170.8 | 70.2 | -88.7 | -143.5 | 0 | 0 | 111.5 | I296 L310 Y329 L847 Y848 | I296-E305 HydrophobicContact CD1-CB 4.37Å; E305-L310 HydrophobicContact CB-CD1 4.44Å; E305-L310 HydrophobicContact CG-CD1 4.18Å; E305-Y329 HydrophobicContact CB-CD1 4.29Å; E305-Y329 VanDerWaalsContact OE2-CD1 3.23Å; E305-Y329 WeakPolarHBondContact OE2-CD1 3.45Å; E305-L847 HydrophobicContact CG-CD2 3.9Å; E305-Y848 PolarHBondContact OE1-OH 3.17Å |
| 306 | T | 93.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 3% | 0.025 | 9% | 0.091 | C | C | . | . | trans | -128.1 | 152.2 | 177.9 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | D298 L301 T308 G309 L310 D871 | D298-T306 HydrophobicContact CB-CG2 3.96Å; L301-T306 HydrophobicContact CD1-CG2 3.56Å; T306-T308 PolarHBondContact O-N 3.18Å; T306-G309 PolarHBondContact O-N 3.41Å; T306-G309 VanDerWaalsContact O-N 3.14Å; T306-G309 PolarHBondContact OG1-N 3.32Å; T306-L310 WeakPolarHBondContact O-CG 3.37Å; T306-L310 PolarHBondContact O-N 2.81Å; T306-D871 WeakPolarHBondContact CG2-OD2 3.31Å | ||
| 307 | G | 94.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 16.3 Ų | 16.3 | 5% | 0.052 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -55.7 | -39.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G309 L310 I311 D853 | G307-G309 PolarHBondContact O-N 3.34Å; G307-L310 PolarHBondContact O-N 2.99Å; G307-I311 VanDerWaalsContact O-CG1 3.27Å; G307-I311 WeakPolarHBondContact O-CG1 3.42Å; G307-I311 PolarHBondContact O-N 2.76Å; G307-D853 CarbonylContact C-O 3.52Å; G307-D853 WeakPolarHBondContact CA-O 3.33Å |
| 308 | T | 94.4 | Very high | 94.3 | Very high | 30 Ų | 30 | 16.9 Ų | 16.9 | 18% | 0.184 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | T306 L310 R312 D853 S854 | T306-T308 PolarHBondContact O-N 3.18Å; T308-L310 VanDerWaalsContact C-N 3.3Å; T308-L310 PolarHBondContact O-N 3.18Å; T308-R312 WeakPolarHBondContact O-CB 3.49Å; T308-R312 PolarHBondContact O-N 3.28Å; T308-R312 VanDerWaalsContact O-N 3.11Å; T308-D853 PolarHBondContact N-O 3.3Å; T308-S854 WeakPolarHBondContact OG1-CB 3.42Å; T308-S854 PolarHBondContact OG1-OG 2.93Å |
| 309 | G | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.3 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T70 T306 G307 A313 | T70-G309 VanDerWaalsContact CB-O 3.3Å; T70-G309 WeakPolarHBondContact CB-O 3.09Å; T70-G309 PolarHBondContact OG1-O 3.06Å; T306-G309 PolarHBondContact O-N 3.41Å; T306-G309 VanDerWaalsContact O-N 3.14Å; T306-G309 PolarHBondContact OG1-N 3.32Å; G307-G309 PolarHBondContact O-N 3.34Å; G309-A313 WeakPolarHBondContact O-CB 3.39Å; G309-A313 PolarHBondContact O-N 3.11Å |
| 310 | L | 97.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -74 | -42.4 | -179.3 | -66 | 175.2 | 0 | 0 | 0 | 113 | I296 E305 T306 G307 T308 A313 M314 Y327 I341 Y848 | I296-L310 HydrophobicContact CB-CD2 4.39Å; I296-L310 HydrophobicContact CD1-CD2 3.89Å; I296-L310 HydrophobicContact CG2-CD2 4.28Å; E305-L310 HydrophobicContact CB-CD1 4.44Å; E305-L310 HydrophobicContact CG-CD1 4.18Å; T306-L310 WeakPolarHBondContact O-CG 3.37Å; T306-L310 PolarHBondContact O-N 2.81Å; G307-L310 PolarHBondContact O-N 2.99Å; T308-L310 VanDerWaalsContact C-N 3.3Å; T308-L310 PolarHBondContact O-N 3.18Å; L310-A313 WeakPolarHBondContact O-CB 3.47Å; L310-A313 PolarHBondContact O-N 3.13Å; L310-M314 PolarHBondContact O-N 3.31Å; L310-Y327 HydrophobicContact CD2-CE2 3.51Å; L310-I341 HydrophobicContact CB-CD1 4.46Å; L310-I341 HydrophobicContact CB-CG2 4.09Å; L310-I341 HydrophobicContact CD1-CD1 3.9Å; L310-I341 HydrophobicContact CD1-CG2 4Å; L310-Y848 HydrophobicContact CD1-CD1 4.38Å; L310-Y848 HydrophobicContact CD1-CE1 3.7Å |
| 311 | I | 97.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 177.3 | -66.2 | -69.5 | 0 | 0 | 0 | 110.4 | G307 A313 M314 I315 R340 I341 V344 L813 L819 D853 | G307-I311 VanDerWaalsContact O-CG1 3.27Å; G307-I311 WeakPolarHBondContact O-CG1 3.42Å; G307-I311 PolarHBondContact O-N 2.76Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 3.41Å; I311-M314 PolarHBondContact O-N 3.32Å; I311-I315 HydrophobicContact CG2-CD1 4.39Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 2.84Å; I311-I315 VanDerWaalsContact O-N 3.08Å; I311-R340 HydrophobicContact CD1-CG 4.47Å; I311-I341 HydrophobicContact CD1-CG1 4.5Å; I311-V344 HydrophobicContact CD1-CB 4.05Å; I311-V344 HydrophobicContact CD1-CG2 3.63Å; I311-L813 HydrophobicContact CG2-CD2 4.5Å; I311-L819 HydrophobicContact CG2-CD1 3.77Å; I311-D853 HydrophobicContact CG1-CB 4.17Å |
| 312 | R | 97.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 26.7 Ų | 26.7 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 174.5 | -77.8 | 172.2 | 176.4 | 167.5 | 3.4 | 112.6 | T70 T308 M314 I315 E316 D811 | T70-R312 HydrophobicContact CG2-CB 3.84Å; T70-R312 WeakPolarHBondContact O-CD 3.49Å; T70-R312 PolarHBondContact O-NH1 3.37Å; T308-R312 WeakPolarHBondContact O-CB 3.49Å; T308-R312 PolarHBondContact O-N 3.28Å; T308-R312 VanDerWaalsContact O-N 3.11Å; R312-M314 VanDerWaalsContact C-N 3.3Å; R312-M314 PolarHBondContact O-N 2.94Å; R312-I315 WeakPolarHBondContact O-CB 3.41Å; R312-I315 PolarHBondContact O-N 2.84Å; R312-E316 PolarHBondContact O-N 2.86Å; R312-D811 IonicContact CZ-OD1 2.66Å; R312-D811 IonicContact CZ-OD2 3.32Å; R312-D811 IonicContact NE-OD1 3.45Å; R312-D811 PolarHBondContact NE-OD1 2.8Å; R312-D811 IonicContact NE-OD2 2.84Å; R312-D811 VanDerWaalsContact NH2-CG 3.29Å; R312-D811 IonicContact NH2-OD1 3.65Å; R312-D811 PolarHBondContact NH2-OD1 2.83Å; R312-D811 IonicContact NH2-OD2 3.24Å; R312-D811 PolarHBondContact NH2-OD2 2.86Å |
| 313 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.1 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L43 T70 I294 I296 G309 L310 I311 E316 V317 | L43-A313 HydrophobicContact CD2-CB 3.68Å; L43-A313 HydrophobicContact CG-CB 3.97Å; T70-A313 HydrophobicContact CG2-CB 4.37Å; I294-A313 HydrophobicContact CD1-CB 4.46Å; I294-A313 HydrophobicContact CG2-CB 3.66Å; I296-A313 HydrophobicContact CG2-CB 3.86Å; G309-A313 WeakPolarHBondContact O-CB 3.39Å; G309-A313 PolarHBondContact O-N 3.11Å; L310-A313 WeakPolarHBondContact O-CB 3.47Å; L310-A313 PolarHBondContact O-N 3.13Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 3.41Å; A313-E316 PolarHBondContact O-N 2.67Å; A313-V317 WeakPolarHBondContact O-CB 3.3Å; A313-V317 VanDerWaalsContact O-CG2 3.24Å; A313-V317 WeakPolarHBondContact O-CG2 3.46Å; A313-V317 PolarHBondContact O-N 3.32Å |
| 314 | M | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.9 | -34.3 | 176.8 | -66.6 | -58.5 | 95.9 | 0 | 0 | 112.9 | L43 L310 I311 R312 E316 V317 I318 V344 I345 A348 Y356 | L43-M314 HydrophobicContact CD2-CE 3.37Å; L310-M314 PolarHBondContact O-N 3.31Å; I311-M314 PolarHBondContact O-N 3.32Å; R312-M314 VanDerWaalsContact C-N 3.3Å; R312-M314 PolarHBondContact O-N 2.94Å; M314-E316 VanDerWaalsContact C-N 3.32Å; M314-E316 PolarHBondContact O-N 3.24Å; M314-V317 HydrophobicContact CE-CB 4.45Å; M314-V317 HydrophobicContact CE-CG2 3.93Å; M314-V317 PolarHBondContact O-N 3.3Å; M314-I318 VanDerWaalsContact O-CG1 3.27Å; M314-I318 WeakPolarHBondContact O-CG1 3.27Å; M314-I318 PolarHBondContact O-N 3.4Å; M314-V344 HydrophobicContact CB-CG1 3.42Å; M314-V344 VanDerWaalsContact CB-CG1 3.42Å; M314-V344 HydrophobicContact CG-CG1 3.89Å; M314-I345 HydrophobicContact CG-CG1 4.24Å; M314-I345 HydrophobicContact SD-CG1 4.04Å; M314-A348 HydrophobicContact SD-CB 4.21Å; M314-Y356 HydrophobicContact CE-CE2 3.71Å; M314-Y356 HydrophobicContact SD-CD2 4.36Å; M314-Y356 HydrophobicContact SD-CE2 3.85Å |
| 315 | I | 97.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.3 | -49.8 | 170.6 | -68.7 | 168.1 | 0 | 0 | 0 | 109.8 | I311 R312 I318 N319 L813 L819 | I311-I315 HydrophobicContact CG2-CD1 4.39Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 2.84Å; I311-I315 VanDerWaalsContact O-N 3.08Å; R312-I315 WeakPolarHBondContact O-CB 3.41Å; R312-I315 PolarHBondContact O-N 2.84Å; I315-I318 PolarHBondContact O-N 3.21Å; I315-N319 WeakPolarHBondContact CG2-ND2 3.41Å; I315-N319 WeakPolarHBondContact O-CB 3.29Å; I315-N319 PolarHBondContact O-N 3.35Å; I315-N319 PolarHBondContact O-ND2 2.97Å; I315-L813 HydrophobicContact CD1-CD2 4.07Å; I315-L813 HydrophobicContact CD1-CG 4.21Å; I315-L813 HydrophobicContact CG1-CD2 3.64Å; I315-L813 HydrophobicContact CG1-CG 4.27Å; I315-L819 HydrophobicContact CD1-CD1 4.36Å |
| 316 | E | 97.9 | Very high | 97.2 | Very high | 26 Ų | 26 | 20.7 Ų | 20.7 | 12% | 0.121 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.8 | -39.2 | -179.1 | -66.5 | -53.3 | 147 | 0 | 0 | 113.3 | I68 I294 R312 A313 M314 I318 N319 H320 | I68-E316 HydrophobicContact CD1-CB 4.05Å; I68-E316 HydrophobicContact CD1-CG 3.7Å; I68-E316 HydrophobicContact CG2-CG 4.37Å; I294-E316 HydrophobicContact CD1-CB 4Å; R312-E316 PolarHBondContact O-N 2.86Å; A313-E316 PolarHBondContact O-N 2.67Å; M314-E316 VanDerWaalsContact C-N 3.32Å; M314-E316 PolarHBondContact O-N 3.24Å; E316-I318 VanDerWaalsContact C-N 3.28Å; E316-I318 PolarHBondContact O-N 3.13Å; E316-N319 PolarHBondContact O-N 3.39Å; E316-H320 WeakPolarHBondContact O-CB 3.26Å; E316-H320 PolarHBondContact O-CD2 2.92Å; E316-H320 PolarHBondContact O-N 3.22Å; E316-H320 IonicContact OE2-CD2 3.38Å; E316-H320 IonicContact OE2-NE2 2.88Å |
| 317 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.9 | -44.6 | 173.5 | 163.9 | 0 | 0 | 0 | 0 | 111.3 | A41 L43 I294 A313 M314 K321 C322 V325 T354 | A41-V317 HydrophobicContact CB-CG2 3.72Å; L43-V317 HydrophobicContact CD1-CG2 4.14Å; I294-V317 HydrophobicContact CD1-CG2 3.98Å; A313-V317 WeakPolarHBondContact O-CB 3.3Å; A313-V317 VanDerWaalsContact O-CG2 3.24Å; A313-V317 WeakPolarHBondContact O-CG2 3.46Å; A313-V317 PolarHBondContact O-N 3.32Å; M314-V317 HydrophobicContact CE-CB 4.45Å; M314-V317 HydrophobicContact CE-CG2 3.93Å; M314-V317 PolarHBondContact O-N 3.3Å; V317-K321 PolarHBondContact O-N 3.44Å; V317-C322 HydrophobicContact CG1-CB 4.16Å; V317-C322 PolarHBondContact O-N 3.16Å; V317-V325 HydrophobicContact CB-CG2 4.44Å; V317-V325 HydrophobicContact CG1-CG2 3.73Å; V317-V325 HydrophobicContact CG2-CG2 3.76Å; V317-T354 HydrophobicContact CG1-CG2 3.82Å |
| 318 | I | 97.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 20.4 Ų | 20.4 | 7% | 0.067 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71 | -46.1 | 179.2 | -67.3 | 167.3 | 0 | 0 | 0 | 110.8 | M314 I315 E316 H320 K321 A348 H352 P814 | M314-I318 VanDerWaalsContact O-CG1 3.27Å; M314-I318 WeakPolarHBondContact O-CG1 3.27Å; M314-I318 PolarHBondContact O-N 3.4Å; I315-I318 PolarHBondContact O-N 3.21Å; E316-I318 VanDerWaalsContact C-N 3.28Å; E316-I318 PolarHBondContact O-N 3.13Å; I318-H320 VanDerWaalsContact C-N 3.31Å; I318-H320 PolarHBondContact O-N 3.23Å; I318-K321 PolarHBondContact O-N 3.18Å; I318-A348 HydrophobicContact CD1-CB 4.1Å; I318-A348 HydrophobicContact CG1-CB 4.04Å; I318-H352 HydrophobicContact CG1-CB 4.45Å; I318-H352 VanDerWaalsContact CG2-CE1 3.49Å; I318-H352 WeakPolarHBondContact CG2-CE1 3.32Å; I318-P814 HydrophobicContact CD1-CG 3.94Å; I318-P814 HydrophobicContact CG2-CG 3.85Å |
| 319 | N | 96.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 20.6 Ų | 20.6 | 50% | 0.497 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -61.6 | -39.4 | -179 | -73.7 | -17.1 | 0 | 0 | 0 | 112.4 | I315 E316 K321 | I315-N319 WeakPolarHBondContact CG2-ND2 3.41Å; I315-N319 WeakPolarHBondContact O-CB 3.29Å; I315-N319 PolarHBondContact O-N 3.35Å; I315-N319 PolarHBondContact O-ND2 2.97Å; E316-N319 PolarHBondContact O-N 3.39Å; N319-K321 VanDerWaalsContact C-N 3.3Å |
| 320 | H | 97.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 22 Ų | 22 | 13% | 0.125 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.2 | 177.1 | -77.6 | -109 | 0 | 0 | 0 | 113.6 | L39 D66 K228 L292 E316 I318 C322 | L39-H320 HydrophobicContact CD2-CB 4.26Å; D66-H320 IonicContact OD2-CE1 3.52Å; D66-H320 PolarHBondContact OD2-CE1 3.17Å; D66-H320 VanDerWaalsContact OD2-CE1 3.31Å; D66-H320 IonicContact OD2-NE2 2.89Å; K228-H320 PolarHBondContact NZ-CE1 3.31Å; K228-H320 VanDerWaalsContact NZ-CE1 3.25Å; K228-H320 PolarHBondContact NZ-NE2 2.99Å; L292-H320 HydrophobicContact CD2-CB 3.81Å; E316-H320 WeakPolarHBondContact O-CB 3.26Å; E316-H320 PolarHBondContact O-CD2 2.92Å; E316-H320 PolarHBondContact O-N 3.22Å; E316-H320 IonicContact OE2-CD2 3.38Å; E316-H320 IonicContact OE2-NE2 2.88Å; I318-H320 VanDerWaalsContact C-N 3.31Å; I318-H320 PolarHBondContact O-N 3.23Å; H320-C322 VanDerWaalsContact C-N 3.3Å; H320-C322 PolarHBondContact O-N 2.88Å |
| 321 | K | 97.1 | Very high | 96.6 | Very high | 175 Ų | 175 | 22.7 Ų | 22.7 | 76% | 0.761 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 46.4 | -178 | -55 | 179.1 | -178.5 | 178.5 | 0 | 112 | V317 I318 N319 | V317-K321 PolarHBondContact O-N 3.44Å; I318-K321 PolarHBondContact O-N 3.18Å; N319-K321 VanDerWaalsContact C-N 3.3Å |
| 322 | C | 98.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.02 | 12% | 0.116 | C | C | . | . | trans | -62.4 | 138.3 | 179.5 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | L39 A41 L292 V317 H320 T354 | L39-C322 HydrophobicContact CD2-CB 4.48Å; L39-C322 HydrophobicContact CG-CB 4.44Å; A41-C322 HydrophobicContact CB-CB 4.18Å; L292-C322 WeakPolarHBondContact CD2-SG 3.42Å; V317-C322 HydrophobicContact CG1-CB 4.16Å; V317-C322 PolarHBondContact O-N 3.16Å; H320-C322 VanDerWaalsContact C-N 3.3Å; H320-C322 PolarHBondContact O-N 2.88Å; C322-T354 WeakPolarHBondContact O-CG2 3.42Å; C322-T354 PolarHBondContact O-OG1 3.24Å | ||
| 323 | D | 98.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 22.6 Ų | 22.6 | 14% | 0.139 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -77.3 | -37.8 | 176.3 | -62.4 | -70 | 0 | 0 | 0 | 111.3 | V38 L39 I355 L463 K467 Y473 | V38-D323 WeakPolarHBondContact CA-OD2 3.3Å; V38-D323 HydrophobicContact CG1-CB 3.91Å; L39-D323 PolarHBondContact N-OD2 3.18Å; L39-D323 PolarHBondContact O-N 3.34Å; L39-D323 VanDerWaalsContact O-N 3.09Å; D323-I355 PolarHBondContact O-N 3.24Å; D323-L463 HydrophobicContact CB-CD1 4.01Å; D323-K467 WeakPolarHBondContact OD1-CE 3.34Å; D323-K467 IonicContact OD1-NZ 3.71Å; D323-K467 PolarHBondContact OD1-NZ 3.03Å; D323-K467 IonicContact OD2-NZ 3.62Å; D323-K467 PolarHBondContact OD2-NZ 2.97Å; D323-Y473 PolarHBondContact OD1-OH 3.01Å |
| 324 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 143.2 | -172.2 | -76.2 | 162.5 | 0 | 0 | 0 | 110.6 | V38 L39 I40 A41 I355 V357 I459 A460 L463 | V38-L324 HydrophobicContact CG1-CD1 3.84Å; L39-L324 PolarHBondContact O-N 3.15Å; I40-L324 CarbonylContact C-O 3.42Å; I40-L324 WeakPolarHBondContact CA-O 3.47Å; I40-L324 HydrophobicContact CG1-CB 4.25Å; I40-L324 HydrophobicContact CG1-CD1 4.28Å; I40-L324 HydrophobicContact CG2-CB 4.39Å; A41-L324 PolarHBondContact N-O 3.36Å; L324-I355 CarbonylContact C-O 3.48Å; L324-I355 WeakPolarHBondContact CA-O 3.42Å; L324-I355 HydrophobicContact CD2-CB 3.52Å; L324-I355 HydrophobicContact CD2-CD1 4.33Å; L324-I355 HydrophobicContact CD2-CG2 3.58Å; L324-I355 HydrophobicContact CG-CB 4.49Å; L324-V357 HydrophobicContact CD2-CG2 4.27Å; L324-I459 HydrophobicContact CD1-CB 4.4Å; L324-I459 HydrophobicContact CD1-CG2 4.16Å; L324-I459 HydrophobicContact CD2-CB 4.13Å; L324-I459 HydrophobicContact CD2-CG2 3.58Å; L324-I459 HydrophobicContact CG-CG2 4.43Å; L324-A460 HydrophobicContact CD1-CB 3.69Å; L324-L463 HydrophobicContact CD1-CD1 3.81Å; L324-L463 HydrophobicContact CD2-CD1 4.34Å; L324-L463 HydrophobicContact CG-CD1 3.84Å |
| 325 | V | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.1 | 164 | 171 | 0 | 0 | 0 | 0 | 107.7 | A41 L43 V317 T354 I355 Y356 V357 | A41-V325 HydrophobicContact CB-CG2 4.09Å; A41-V325 CarbonylContact O-C 3.33Å; A41-V325 WeakPolarHBondContact O-CA 3.47Å; L43-V325 HydrophobicContact CD1-CG1 3.98Å; L43-V325 HydrophobicContact CD2-CG1 4.24Å; V317-V325 HydrophobicContact CB-CG2 4.44Å; V317-V325 HydrophobicContact CG1-CG2 3.73Å; V317-V325 HydrophobicContact CG2-CG2 3.76Å; V325-T354 HydrophobicContact CG2-CG2 3.78Å; V325-I355 PolarHBondContact N-O 2.87Å; V325-Y356 HydrophobicContact CB-CD2 3.8Å; V325-Y356 HydrophobicContact CB-CE2 4.13Å; V325-Y356 HydrophobicContact CB-CG 4.07Å; V325-Y356 HydrophobicContact CG1-CD1 4.26Å; V325-Y356 HydrophobicContact CG1-CD2 3.73Å; V325-Y356 HydrophobicContact CG1-CE1 4.11Å; V325-Y356 HydrophobicContact CG1-CE2 3.55Å; V325-Y356 HydrophobicContact CG1-CG 4.1Å; V325-Y356 HydrophobicContact CG2-CD2 4.11Å; V325-Y356 HydrophobicContact CG2-CE2 4.42Å; V325-V357 PolarHBondContact O-N 3.08Å |
| 326 | N | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.3 | 158.9 | 179.9 | 80.9 | 0 | 0 | 0 | 109.7 | A41 L43 V268 S328 V357 S452 P453 C456 | A41-N326 PolarHBondContact O-N 3.39Å; L43-N326 PolarHBondContact N-O 3.24Å; V268-N326 WeakPolarHBondContact CG1-ND2 3.39Å; N326-S328 PolarHBondContact ND2-OG 2.71Å; N326-V357 WeakPolarHBondContact CA-O 3.27Å; N326-S452 WeakPolarHBondContact OD1-CB 3.44Å; N326-S452 PolarHBondContact OD1-O 3.21Å; N326-S452 PolarHBondContact OD1-OG 2.68Å; N326-P453 VanDerWaalsContact OD1-CA 3.24Å; N326-P453 WeakPolarHBondContact OD1-CA 3.35Å; N326-P453 WeakPolarHBondContact OD1-CD 3.27Å; N326-C456 HydrophobicContact CB-CB 4.15Å |
| 327 | Y | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 104.7 | 176.5 | -171.4 | -100.6 | 0 | 0 | 0 | 110.9 | L43 I296 L310 Y329 Y356 V357 S358 S359 P373 Y848 | L43-Y327 HydrophobicContact CB-CD2 3.8Å; L43-Y327 HydrophobicContact CB-CE2 4.45Å; L43-Y327 HydrophobicContact CD2-CD2 4.06Å; I296-Y327 HydrophobicContact CD1-CD2 4Å; I296-Y327 HydrophobicContact CD1-CE2 3.3Å; L310-Y327 HydrophobicContact CD2-CE2 3.51Å; Y327-Y329 VanDerWaalsContact CD1-O 3.26Å; Y327-Y329 WeakPolarHBondContact CD1-O 3.43Å; Y327-Y329 WeakPolarHBondContact CE1-O 3.33Å; Y327-Y329 WeakPolarHBondContact OH-CB 3.39Å; Y327-Y356 WeakPolarHBondContact CB-OH 3.26Å; Y327-Y356 HydrophobicContact CD1-CE1 4.38Å; Y327-Y356 HydrophobicContact CD2-CE1 4.48Å; Y327-Y356 WeakPolarHBondContact CD2-OH 3.25Å; Y327-Y356 AromaticContact CG-CE1 3.86Å; Y327-Y356 HydrophobicContact CG-CE1 3.86Å; Y327-Y356 AromaticContact CG-CZ 3.94Å; Y327-V357 PolarHBondContact N-O 3.1Å; Y327-S358 WeakPolarHBondContact CD1-OG 3.39Å; Y327-S358 WeakPolarHBondContact O-CA 3.36Å; Y327-S358 PolarHBondContact O-OG 2.95Å; Y327-S359 PolarHBondContact O-N 3.26Å; Y327-P373 HydrophobicContact CD1-CG 3.98Å; Y327-P373 HydrophobicContact CE1-CG 3.98Å; Y327-Y848 PolarHBondContact OH-OH 2.84Å |
| 328 | S | 93.1 | Very high | 95 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | trans | -104.5 | 38.8 | -178 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | H264 N326 S449 | H264-S328 PolarHBondContact CE1-O 3.46Å; N326-S328 PolarHBondContact ND2-OG 2.71Å; S328-S449 PolarHBondContact O-OG 2.67Å; S328-S449 PolarHBondContact OG-O 3.34Å | ||
| 329 | Y | 89.5 | Confident | 94.9 | Very high | 34 Ų | 34 | 32 Ų | 32 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | trans | -129.1 | 170.8 | -178.5 | -95.4 | -98 | 0 | 0 | 0 | 110.4 | D44 T45 I296 T303 E305 Y327 | D44-Y329 HydrophobicContact CB-CE2 4.42Å; T45-Y329 HydrophobicContact CG2-CE2 4.29Å; T45-Y329 WeakPolarHBondContact CG2-OH 3.28Å; I296-Y329 HydrophobicContact CD1-CD2 4.11Å; I296-Y329 HydrophobicContact CD1-CG 4.11Å; T303-Y329 VanDerWaalsContact O-CE1 3.28Å; T303-Y329 WeakPolarHBondContact O-CE1 3.38Å; T303-Y329 PolarHBondContact O-OH 3Å; E305-Y329 HydrophobicContact CB-CD1 4.29Å; E305-Y329 VanDerWaalsContact OE2-CD1 3.23Å; E305-Y329 WeakPolarHBondContact OE2-CD1 3.45Å; Y327-Y329 VanDerWaalsContact CD1-O 3.26Å; Y327-Y329 WeakPolarHBondContact CD1-O 3.43Å; Y327-Y329 WeakPolarHBondContact CE1-O 3.33Å; Y327-Y329 WeakPolarHBondContact OH-CB 3.39Å | ||
| 330 | G | 90.1 | Very high | 94.8 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 31% | 0.309 | 15% | 0.151 | S | C | . | . | trans | 154.9 | 150.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C372 | G330-C372 WeakPolarHBondContact CA-O 3.42Š| ||
| 331 | E | 91.8 | Very high | 94.7 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -128.1 | 168.7 | 178.8 | -66.6 | -66.9 | 172.2 | 0 | 0 | 111.9 | G371 C372 R702 L847 Y848 Y873 | E331-G371 WeakPolarHBondContact O-CA 3.46Å; E331-C372 PolarHBondContact N-O 3.03Å; E331-C372 PolarHBondContact O-N 3.22Å; E331-R702 IonicContact OE2-CZ 2.65Å; E331-R702 IonicContact OE2-NH1 3.42Å; E331-R702 PolarHBondContact OE2-NH1 3.13Å; E331-R702 IonicContact OE2-NH2 3.48Å; E331-R702 PolarHBondContact OE2-NH2 2.9Å; E331-L847 HydrophobicContact CG-CD2 4.48Å; E331-Y848 HydrophobicContact CB-CE2 4.02Å; E331-Y873 HydrophobicContact CB-CE2 4.22Å; E331-Y873 HydrophobicContact CG-CE2 4Å |
| 332 | A | 92.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 6% | 0.058 | 11% | 0.11 | C | C | . | . | trans | -70.5 | 145.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A700 Y701 R702 | A332-A700 HydrophobicContact CB-CB 4Å; A332-Y701 HydrophobicContact CB-CD1 4.04Å; A332-Y701 HydrophobicContact CB-CE1 3.45Å; A332-Y701 VanDerWaalsContact CB-CE1 3.45Å; A332-R702 HydrophobicContact CB-CB 4.47Å; A332-R702 HydrophobicContact CB-CG 3.81Å | ||
| 333 | T | 93.3 | Very high | 94.5 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 9% | 0.086 | 13% | 0.13 | C | C | . | . | trans | -123.1 | 148.7 | 179.4 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | W335 C372 T376 A700 E849 | T333-W335 PolarHBondContact OG1-O 3.15Å; T333-C372 HydrophobicContact CG2-CB 4.04Å; T333-T376 HydrophobicContact CG2-CG2 3.88Å; T333-A700 WeakPolarHBondContact O-CA 3.35Å; T333-A700 WeakPolarHBondContact O-CB 3.49Å; T333-E849 PolarHBondContact OG1-OE1 3.32Å; T333-E849 PolarHBondContact OG1-OE2 3.44Å | ||
| 334 | H | 93.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 23.7 Ų | 23.7 | 13% | 0.13 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -73.9 | -34.9 | -179.6 | -68.3 | 74.4 | 0 | 0 | 0 | 113.2 | Q698 R699 E845 E849 | H334-Q698 CarbonylContact O-C 3.56Å; H334-R699 PolarHBondContact O-N 2.98Å; H334-E845 PolarHBondContact CE1-O 3.4Å; H334-E845 PolarHBondContact ND1-O 3.28Å; H334-E849 WeakPolarHBondContact CB-OE1 3.35Å; H334-E849 IonicContact CE1-OE1 3.16Å; H334-E849 IonicContact CG-OE1 2.71Å; H334-E849 PolarHBondContact N-OE1 3.35Å; H334-E849 IonicContact ND1-OE1 3.8Å; H334-E849 PolarHBondContact ND1-OE1 3.43Å |
| 335 | W | 92.3 | Very high | 94.3 | Very high | 88 Ų | 88 | 23.9 Ų | 23.9 | 33% | 0.333 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -144.2 | 123.9 | 174 | 48.5 | 89.3 | 0 | 0 | 0 | 109.9 | T333 S338 Q698 L846 E849 | T333-W335 PolarHBondContact OG1-O 3.15Å; W335-S338 VanDerWaalsContact CD1-CB 3.48Å; W335-Q698 HydrophobicContact CE3-CB 4.17Å; W335-Q698 HydrophobicContact CE3-CG 4.4Å; W335-L846 HydrophobicContact CH2-CD1 4.39Å; W335-L846 HydrophobicContact CH2-CD2 3.73Å; W335-L846 HydrophobicContact CZ2-CD2 4.32Å; W335-L846 HydrophobicContact CZ3-CD2 4.31Å; W335-E849 HydrophobicContact CD2-CB 4.38Å; W335-E849 HydrophobicContact CD2-CG 4.41Å; W335-E849 HydrophobicContact CH2-CG 4.29Å; W335-E849 HydrophobicContact CZ2-CB 4.06Å; W335-E849 HydrophobicContact CZ2-CG 3.81Å |
| 336 | P | 93.7 | Very high | 94.1 | Very high | 25 Ų | 25 | 24.8 Ų | 24.8 | 16% | 0.162 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 160 | -179.3 | -26.4 | 35.8 | 0 | 0 | 0 | 114.1 | S338 T376 S415 A416 D417 | P336-S338 VanDerWaalsContact C-N 3.3Å; P336-S338 PolarHBondContact O-N 2.82Å; P336-T376 HydrophobicContact CB-CG2 4.35Å; P336-T376 HydrophobicContact CG-CG2 4.41Å; P336-S415 WeakPolarHBondContact CG-OG 3.36Å; P336-A416 HydrophobicContact CG-CB 4.4Å; P336-D417 HydrophobicContact CB-CB 4.5Å; P336-D417 HydrophobicContact CG-CB 4.28Å |
| 337 | N | 93.4 | Very high | 93.9 | Very high | 53 Ų | 53 | 25.8 Ų | 25.8 | 28% | 0.283 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 34.1 | 164.3 | -161.4 | 65.2 | 0 | 0 | 0 | 115.4 | T376 S378 | N337-T376 WeakPolarHBondContact CA-O 3.5Å; N337-T376 WeakPolarHBondContact CB-O 3.48Å; N337-T376 PolarHBondContact N-O 3.15Å; N337-S378 VanDerWaalsContact CG-OG 3.25Å; N337-S378 PolarHBondContact ND2-OG 3.38Å; N337-S378 WeakPolarHBondContact OD1-CB 3.14Å; N337-S378 PolarHBondContact OD1-N 3.43Å; N337-S378 PolarHBondContact OD1-OG 3.17Å |
| 338 | S | 93.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 25.9 Ų | 25.9 | 31% | 0.308 | 14% | 0.135 | S | C | . | . | trans | -142 | 167.7 | -179.8 | -165.1 | 0 | 0 | 0 | 0 | 111.1 | W335 P336 C342 | W335-S338 VanDerWaalsContact CD1-CB 3.48Å; P336-S338 VanDerWaalsContact C-N 3.3Å; P336-S338 PolarHBondContact O-N 2.82Å; S338-C342 PolarHBondContact O-SG 2.96Å | ||
| 339 | G | 94.4 | Very high | 94 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 94.2 | 163.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I341 C342 E343 Y848 | G339-I341 VanDerWaalsContact C-N 3.32Å; G339-I341 PolarHBondContact O-N 3.35Å; G339-C342 WeakPolarHBondContact O-CB 3.42Å; G339-C342 PolarHBondContact O-N 3.04Å; G339-C342 VanDerWaalsContact O-N 3.09Å; G339-E343 PolarHBondContact O-N 3.03Å; G339-E343 VanDerWaalsContact O-N 3.09Å; G339-Y848 WeakPolarHBondContact CA-O 3.4Å |
| 340 | R | 94.5 | Very high | 94.1 | Very high | 48 Ų | 48 | 29 Ų | 29 | 18% | 0.181 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -36.1 | -165 | -174 | 56.9 | -174.6 | 143.5 | 6 | 113.1 | I311 E343 V344 S850 D853 | I311-R340 HydrophobicContact CD1-CG 4.47Å; R340-E343 WeakPolarHBondContact CD-OE2 3.42Å; R340-E343 IonicContact CZ-OE2 3.83Å; R340-E343 IonicContact NH1-OE2 3.15Å; R340-E343 PolarHBondContact NH1-OE2 3.3Å; R340-E343 WeakPolarHBondContact O-CB 3.45Å; R340-E343 PolarHBondContact O-N 3.22Å; R340-V344 PolarHBondContact O-N 3.49Å; R340-S850 WeakPolarHBondContact CB-O 3.23Å; R340-S850 PolarHBondContact N-O 3.36Å; R340-D853 WeakPolarHBondContact CG-OD1 3.29Å; R340-D853 IonicContact NE-OD1 3.31Å |
| 341 | I | 95.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 175.8 | -57.8 | -175.5 | 0 | 0 | 0 | 110.5 | L310 I311 G339 E343 V344 I345 L847 Y848 | L310-I341 HydrophobicContact CB-CD1 4.46Å; L310-I341 HydrophobicContact CB-CG2 4.09Å; L310-I341 HydrophobicContact CD1-CD1 3.9Å; L310-I341 HydrophobicContact CD1-CG2 4Å; I311-I341 HydrophobicContact CD1-CG1 4.5Å; G339-I341 VanDerWaalsContact C-N 3.32Å; G339-I341 PolarHBondContact O-N 3.35Å; I341-E343 VanDerWaalsContact C-N 3.3Å; I341-E343 PolarHBondContact O-N 2.95Å; I341-V344 PolarHBondContact O-N 2.94Å; I341-I345 HydrophobicContact CG2-CD1 3.95Å; I341-I345 WeakPolarHBondContact O-CG1 3.48Å; I341-I345 PolarHBondContact O-N 3.44Å; I341-L847 WeakPolarHBondContact CD1-O 3.35Å; I341-Y848 HydrophobicContact CB-CD1 4.47Å; I341-Y848 HydrophobicContact CD1-CD1 4.43Å; I341-Y848 HydrophobicContact CG2-CD1 3.99Å; I341-Y848 HydrophobicContact CG2-CE1 4.48Å |
| 342 | C | 95.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | 178.3 | -66.1 | 0 | 0 | 0 | 0 | 112 | S338 G339 I345 N346 T377 | S338-C342 PolarHBondContact O-SG 2.96Å; G339-C342 WeakPolarHBondContact O-CB 3.42Å; G339-C342 PolarHBondContact O-N 3.04Å; G339-C342 VanDerWaalsContact O-N 3.09Å; C342-I345 PolarHBondContact O-N 3.4Å; C342-N346 WeakPolarHBondContact O-CB 3.27Å; C342-N346 PolarHBondContact O-N 3.35Å; C342-N346 PolarHBondContact O-ND2 3.43Å; C342-T377 HydrophobicContact CB-CG2 4.47Å |
| 343 | E | 95.1 | Very high | 94.5 | Very high | 97 Ų | 97 | 37.7 Ų | 37.7 | 45% | 0.453 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 175.5 | -67.6 | -179.7 | 165.6 | 0 | 0 | 112.4 | G339 R340 I341 N346 E347 | G339-E343 PolarHBondContact O-N 3.03Å; G339-E343 VanDerWaalsContact O-N 3.09Å; R340-E343 WeakPolarHBondContact CD-OE2 3.42Å; R340-E343 IonicContact CZ-OE2 3.83Å; R340-E343 IonicContact NH1-OE2 3.15Å; R340-E343 PolarHBondContact NH1-OE2 3.3Å; R340-E343 WeakPolarHBondContact O-CB 3.45Å; R340-E343 PolarHBondContact O-N 3.22Å; I341-E343 VanDerWaalsContact C-N 3.3Å; I341-E343 PolarHBondContact O-N 2.95Å; E343-N346 WeakPolarHBondContact O-CB 3.4Å; E343-N346 PolarHBondContact O-N 2.99Å; E343-E347 WeakPolarHBondContact O-CB 3.49Å; E343-E347 PolarHBondContact O-N 3.15Å |
| 344 | V | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.3 | -36.1 | -178.8 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | I311 M314 R340 I341 E347 A348 L813 | I311-V344 HydrophobicContact CD1-CB 4.05Å; I311-V344 HydrophobicContact CD1-CG2 3.63Å; M314-V344 HydrophobicContact CB-CG1 3.42Å; M314-V344 VanDerWaalsContact CB-CG1 3.42Å; M314-V344 HydrophobicContact CG-CG1 3.89Å; R340-V344 PolarHBondContact O-N 3.49Å; I341-V344 PolarHBondContact O-N 2.94Å; V344-E347 WeakPolarHBondContact O-CB 3.47Å; V344-E347 PolarHBondContact O-N 3.4Å; V344-A348 PolarHBondContact O-N 2.67Å; V344-L813 HydrophobicContact CG1-CD2 4Å; V344-L813 HydrophobicContact CG2-CD2 4.36Å |
| 345 | I | 97.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 170.5 | -68 | 169.1 | 0 | 0 | 0 | 110.3 | M314 I341 C342 E347 A348 V349 Y356 P373 V380 | M314-I345 HydrophobicContact CG-CG1 4.24Å; M314-I345 HydrophobicContact SD-CG1 4.04Å; I341-I345 HydrophobicContact CG2-CD1 3.95Å; I341-I345 WeakPolarHBondContact O-CG1 3.48Å; I341-I345 PolarHBondContact O-N 3.44Å; C342-I345 PolarHBondContact O-N 3.4Å; I345-E347 VanDerWaalsContact C-N 3.27Å; I345-E347 PolarHBondContact O-N 3.14Å; I345-A348 PolarHBondContact O-N 3.08Å; I345-V349 HydrophobicContact CG2-CG2 4.39Å; I345-V349 WeakPolarHBondContact O-CG2 3.31Å; I345-V349 PolarHBondContact O-N 2.97Å; I345-Y356 HydrophobicContact CD1-CE2 4.43Å; I345-Y356 HydrophobicContact CG1-CE2 4.13Å; I345-Y356 HydrophobicContact CG2-CD2 3.87Å; I345-Y356 HydrophobicContact CG2-CE2 4.08Å; I345-Y356 HydrophobicContact CG2-CG 4.28Å; I345-P373 HydrophobicContact CD1-CB 4.09Å; I345-P373 HydrophobicContact CD1-CG 4.19Å; I345-V380 HydrophobicContact CG2-CG2 3.79Å |
| 346 | N | 95.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 11% | 0.107 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60 | -38 | 177.4 | -73.2 | -20.5 | 0 | 0 | 0 | 111.9 | C342 E343 V349 W350 S379 | C342-N346 WeakPolarHBondContact O-CB 3.27Å; C342-N346 PolarHBondContact O-N 3.35Å; C342-N346 PolarHBondContact O-ND2 3.43Å; E343-N346 WeakPolarHBondContact O-CB 3.4Å; E343-N346 PolarHBondContact O-N 2.99Å; N346-V349 PolarHBondContact O-N 2.9Å; N346-W350 HydrophobicContact CB-CD2 4.21Å; N346-W350 HydrophobicContact CB-CE3 3.77Å; N346-W350 HydrophobicContact CB-CH2 3.92Å; N346-W350 HydrophobicContact CB-CZ2 4.33Å; N346-W350 HydrophobicContact CB-CZ3 3.62Å; N346-W350 WeakPolarHBondContact O-CB 3.47Å; N346-W350 PolarHBondContact O-N 2.94Å; N346-S379 WeakPolarHBondContact OD1-CB 3.41Å; N346-S379 PolarHBondContact OD1-OG 3.34Å |
| 347 | E | 94.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -49.3 | 175.4 | -163.3 | -178.8 | 141.9 | 0 | 0 | 111.3 | E343 V344 I345 V349 K351 R817 | E343-E347 WeakPolarHBondContact O-CB 3.49Å; E343-E347 PolarHBondContact O-N 3.15Å; V344-E347 WeakPolarHBondContact O-CB 3.47Å; V344-E347 PolarHBondContact O-N 3.4Å; I345-E347 VanDerWaalsContact C-N 3.27Å; I345-E347 PolarHBondContact O-N 3.14Å; E347-V349 VanDerWaalsContact C-N 3.33Å; E347-V349 PolarHBondContact O-N 2.99Å; E347-K351 HydrophobicContact CG-CD 3.81Å; E347-K351 HydrophobicContact CG-CG 4.27Å; E347-K351 VanDerWaalsContact O-CB 3.24Å; E347-K351 WeakPolarHBondContact O-CB 3.29Å; E347-K351 PolarHBondContact O-N 3.3Å; E347-R817 IonicContact OE1-CZ 3.67Å; E347-R817 IonicContact OE1-NH1 2.63Å; E347-R817 IonicContact OE1-NH2 3.15Å; E347-R817 PolarHBondContact OE1-NH2 3.39Å; E347-R817 IonicContact OE2-CZ 3.6Å; E347-R817 IonicContact OE2-NH1 2.74Å; E347-R817 PolarHBondContact OE2-NH1 3.48Å; E347-R817 IonicContact OE2-NH2 3.88Å; E347-R817 PolarHBondContact OE2-NH2 3.48Å |
| 348 | A | 95.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | M314 I318 V344 I345 H352 N353 T354 | M314-A348 HydrophobicContact SD-CB 4.21Å; I318-A348 HydrophobicContact CD1-CB 4.1Å; I318-A348 HydrophobicContact CG1-CB 4.04Å; V344-A348 PolarHBondContact O-N 2.67Å; I345-A348 PolarHBondContact O-N 3.08Å; A348-H352 CarbonylContact O-C 3.57Å; A348-H352 WeakPolarHBondContact O-CA 3.47Å; A348-H352 VanDerWaalsContact O-CB 3.32Å; A348-H352 WeakPolarHBondContact O-CB 3.36Å; A348-H352 PolarHBondContact O-N 3.48Å; A348-N353 PolarHBondContact O-N 3.26Å; A348-T354 PolarHBondContact O-N 3.23Å |
| 349 | V | 96 | Very high | 95.8 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.3 | -51.7 | -177.3 | 177.4 | 0 | 0 | 0 | 0 | 112.2 | I345 N346 E347 N353 T354 V475 | I345-V349 HydrophobicContact CG2-CG2 4.39Å; I345-V349 WeakPolarHBondContact O-CG2 3.31Å; I345-V349 PolarHBondContact O-N 2.97Å; N346-V349 PolarHBondContact O-N 2.9Å; E347-V349 VanDerWaalsContact C-N 3.33Å; E347-V349 PolarHBondContact O-N 2.99Å; V349-N353 WeakPolarHBondContact O-CA 3.45Å; V349-N353 PolarHBondContact O-N 2.92Å; V349-T354 VanDerWaalsContact CA-O 3.3Å; V349-T354 WeakPolarHBondContact CA-O 3.34Å; V349-T354 WeakPolarHBondContact CG2-O 3.26Å; V349-V475 HydrophobicContact CG1-CB 4.06Å; V349-V475 HydrophobicContact CG1-CG1 4.03Å; V349-V475 HydrophobicContact CG1-CG2 3.91Å; V349-V475 WeakPolarHBondContact O-CG1 3.18Å |
| 350 | W | 92.8 | Very high | 95.9 | Very high | 101 Ų | 101 | 26.3 Ų | 26.3 | 38% | 0.383 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -83.8 | -33.5 | -170.4 | -59.5 | -29.1 | 0 | 0 | 0 | 113.6 | N346 H476 | N346-W350 HydrophobicContact CB-CD2 4.21Å; N346-W350 HydrophobicContact CB-CE3 3.77Å; N346-W350 HydrophobicContact CB-CH2 3.92Å; N346-W350 HydrophobicContact CB-CZ2 4.33Å; N346-W350 HydrophobicContact CB-CZ3 3.62Å; N346-W350 WeakPolarHBondContact O-CB 3.47Å; N346-W350 PolarHBondContact O-N 2.94Å; W350-H476 AromaticContact CD1-CE1 3.87Å; W350-H476 AromaticContact NE1-CE1 3.99Å |
| 351 | K | 92.8 | Very high | 95.9 | Very high | 100 Ų | 100 | 24.7 Ų | 24.7 | 44% | 0.435 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -92.5 | -39.4 | -178.7 | -59.7 | -164 | 179.9 | -168.6 | 0 | 113 | E347 E557 | E347-K351 HydrophobicContact CG-CD 3.81Å; E347-K351 HydrophobicContact CG-CG 4.27Å; E347-K351 VanDerWaalsContact O-CB 3.24Å; E347-K351 WeakPolarHBondContact O-CB 3.29Å; E347-K351 PolarHBondContact O-N 3.3Å; K351-E557 WeakPolarHBondContact CB-OE2 3.38Å; K351-E557 IonicContact NZ-OE1 3.44Å |
| 352 | H | 93.9 | Very high | 95.9 | Very high | 79 Ų | 79 | 27.3 Ų | 27.3 | 37% | 0.366 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -98.5 | 3.8 | -176.9 | -60.1 | -78.9 | 0 | 0 | 0 | 113.7 | I318 A348 T354 | I318-H352 HydrophobicContact CG1-CB 4.45Å; I318-H352 VanDerWaalsContact CG2-CE1 3.49Å; I318-H352 WeakPolarHBondContact CG2-CE1 3.32Å; A348-H352 CarbonylContact O-C 3.57Å; A348-H352 WeakPolarHBondContact O-CA 3.47Å; A348-H352 VanDerWaalsContact O-CB 3.32Å; A348-H352 WeakPolarHBondContact O-CB 3.36Å; A348-H352 PolarHBondContact O-N 3.48Å; H352-T354 PolarHBondContact O-N 3.22Å |
| 353 | N | 95 | Very high | 95.9 | Very high | 59 Ų | 59 | 29 Ų | 29 | 32% | 0.316 | 14% | 0.141 | S | C | . | . | trans | 56.3 | 30.2 | 177.3 | -160.5 | 45.5 | 0 | 0 | 0 | 113.5 | A348 V349 Y473 T474 V475 | A348-N353 PolarHBondContact O-N 3.26Å; V349-N353 WeakPolarHBondContact O-CA 3.45Å; V349-N353 PolarHBondContact O-N 2.92Å; N353-Y473 PolarHBondContact ND2-O 3.19Å; N353-T474 VanDerWaalsContact OD1-CA 3.29Å; N353-T474 WeakPolarHBondContact OD1-CA 3.23Å; N353-V475 VanDerWaalsContact C-CG1 3.45Å; N353-V475 WeakPolarHBondContact OD1-CG1 3.27Å; N353-V475 PolarHBondContact OD1-N 2.96Å | ||
| 354 | T | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | trans | -84.8 | 127.3 | 176.5 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | V317 C322 V325 A348 V349 H352 V475 | V317-T354 HydrophobicContact CG1-CG2 3.82Å; C322-T354 WeakPolarHBondContact O-CG2 3.42Å; C322-T354 PolarHBondContact O-OG1 3.24Å; V325-T354 HydrophobicContact CG2-CG2 3.78Å; A348-T354 PolarHBondContact O-N 3.23Å; V349-T354 VanDerWaalsContact CA-O 3.3Å; V349-T354 WeakPolarHBondContact CA-O 3.34Å; V349-T354 WeakPolarHBondContact CG2-O 3.26Å; H352-T354 PolarHBondContact O-N 3.22Å; T354-V475 WeakPolarHBondContact O-CG1 3.28Å | ||
| 355 | I | 98.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.4 | 177.2 | -63.8 | 167 | 0 | 0 | 0 | 109.2 | D323 L324 V325 V357 I381 I459 L463 V475 V478 | D323-I355 PolarHBondContact O-N 3.24Å; L324-I355 CarbonylContact C-O 3.48Å; L324-I355 WeakPolarHBondContact CA-O 3.42Å; L324-I355 HydrophobicContact CD2-CB 3.52Å; L324-I355 HydrophobicContact CD2-CD1 4.33Å; L324-I355 HydrophobicContact CD2-CG2 3.58Å; L324-I355 HydrophobicContact CG-CB 4.49Å; V325-I355 PolarHBondContact N-O 2.87Å; I355-V357 HydrophobicContact CG2-CG2 4.1Å; I355-I381 HydrophobicContact CG2-CD1 3.86Å; I355-I459 HydrophobicContact CD1-CG2 4.2Å; I355-L463 HydrophobicContact CD1-CD1 4.1Å; I355-L463 HydrophobicContact CD1-CD2 4.04Å; I355-V475 HydrophobicContact CG1-CB 4.27Å; I355-V475 HydrophobicContact CG1-CG1 3.79Å; I355-V478 HydrophobicContact CD1-CB 3.85Å; I355-V478 HydrophobicContact CD1-CG1 3.78Å; I355-V478 HydrophobicContact CD1-CG2 3.92Å |
| 356 | Y | 98.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113.4 | -179.3 | -158.5 | -66.1 | 0 | 0 | 0 | 111.1 | M314 V325 Y327 I345 P373 V380 I381 | M314-Y356 HydrophobicContact CE-CE2 3.71Å; M314-Y356 HydrophobicContact SD-CD2 4.36Å; M314-Y356 HydrophobicContact SD-CE2 3.85Å; V325-Y356 HydrophobicContact CB-CD2 3.8Å; V325-Y356 HydrophobicContact CB-CE2 4.13Å; V325-Y356 HydrophobicContact CB-CG 4.07Å; V325-Y356 HydrophobicContact CG1-CD1 4.26Å; V325-Y356 HydrophobicContact CG1-CD2 3.73Å; V325-Y356 HydrophobicContact CG1-CE1 4.11Å; V325-Y356 HydrophobicContact CG1-CE2 3.55Å; V325-Y356 HydrophobicContact CG1-CG 4.1Å; V325-Y356 HydrophobicContact CG2-CD2 4.11Å; V325-Y356 HydrophobicContact CG2-CE2 4.42Å; Y327-Y356 WeakPolarHBondContact CB-OH 3.26Å; Y327-Y356 HydrophobicContact CD1-CE1 4.38Å; Y327-Y356 HydrophobicContact CD2-CE1 4.48Å; Y327-Y356 WeakPolarHBondContact CD2-OH 3.25Å; Y327-Y356 AromaticContact CG-CE1 3.86Å; Y327-Y356 HydrophobicContact CG-CE1 3.86Å; Y327-Y356 AromaticContact CG-CZ 3.94Å; I345-Y356 HydrophobicContact CD1-CE2 4.43Å; I345-Y356 HydrophobicContact CG1-CE2 4.13Å; I345-Y356 HydrophobicContact CG2-CD2 3.87Å; I345-Y356 HydrophobicContact CG2-CE2 4.08Å; I345-Y356 HydrophobicContact CG2-CG 4.28Å; Y356-P373 HydrophobicContact CE1-CG 4.17Å; Y356-V380 HydrophobicContact CD1-CB 4.38Å; Y356-V380 HydrophobicContact CD1-CG1 3.82Å; Y356-V380 HydrophobicContact CD1-CG2 3.76Å; Y356-V380 HydrophobicContact CE1-CG1 4.4Å; Y356-V380 HydrophobicContact CE1-CG2 4.33Å; Y356-V380 HydrophobicContact CG-CG2 4.06Å; Y356-I381 PolarHBondContact O-N 3.25Å |
| 357 | V | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128 | 179.7 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | L324 V325 N326 Y327 I355 V383 S452 A455 C456 I459 | L324-V357 HydrophobicContact CD2-CG2 4.27Å; V325-V357 PolarHBondContact O-N 3.08Å; N326-V357 WeakPolarHBondContact CA-O 3.27Å; Y327-V357 PolarHBondContact N-O 3.1Å; I355-V357 HydrophobicContact CG2-CG2 4.1Å; V357-V383 HydrophobicContact CG1-CG2 3.56Å; V357-S452 PolarHBondContact O-OG 2.88Å; V357-A455 HydrophobicContact CG1-CB 4.32Å; V357-C456 HydrophobicContact CB-CB 4.26Å; V357-C456 HydrophobicContact CG1-CB 4.36Å; V357-C456 HydrophobicContact CG2-CB 4.32Å; V357-I459 HydrophobicContact CG2-CD1 3.68Å |
| 358 | S | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.9 | -176.5 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | Y327 G374 V380 I381 G382 V383 | Y327-S358 WeakPolarHBondContact CD1-OG 3.39Å; Y327-S358 WeakPolarHBondContact O-CA 3.36Å; Y327-S358 PolarHBondContact O-OG 2.95Å; S358-G374 VanDerWaalsContact OG-CA 3.26Å; S358-G374 WeakPolarHBondContact OG-CA 3.48Å; S358-G374 PolarHBondContact OG-N 3.02Å; S358-V380 VanDerWaalsContact CB-CG1 3.46Å; S358-I381 PolarHBondContact N-O 2.81Å; S358-G382 CarbonylContact O-C 3.56Å; S358-G382 WeakPolarHBondContact O-CA 3.44Å; S358-V383 PolarHBondContact O-N 3.5Å |
| 359 | S | 96.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 5% | 0.049 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 142 | 166.9 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | Y327 G361 T448 S452 | Y327-S359 PolarHBondContact O-N 3.26Å; S359-G361 VanDerWaalsContact C-N 3.31Å; S359-T448 VanDerWaalsContact CB-C 3.46Å; S359-T448 VanDerWaalsContact CB-O 3.28Å; S359-T448 WeakPolarHBondContact CB-O 3.46Å; S359-T448 WeakPolarHBondContact CB-OG1 3.42Å; S359-S452 PolarHBondContact N-OG 2.98Å |
| 360 | A | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -75.1 | -20.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | V370 G371 V383 S411 V422 T448 | A360-V370 WeakPolarHBondContact O-CA 3.3Å; A360-G371 PolarHBondContact O-N 3.4Å; A360-V383 WeakPolarHBondContact CB-O 3.33Å; A360-V383 PolarHBondContact N-O 3.2Å; A360-S411 WeakPolarHBondContact O-CB 3.47Å; A360-V422 HydrophobicContact CB-CG2 3.93Å; A360-T448 HydrophobicContact CB-CG2 4.29Å | ||
| 361 | G | 95.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 18.3 Ų | 18.3 | 14% | 0.144 | 10% | 0.097 | C | C | . | . | trans | 116.4 | 164.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | S359 S411 T448 | S359-G361 VanDerWaalsContact C-N 3.31Å; G361-S411 VanDerWaalsContact C-CB 3.48Å; G361-S411 WeakPolarHBondContact CA-OG 3.32Å; G361-S411 WeakPolarHBondContact O-CB 3.17Å; G361-S411 PolarHBondContact O-N 3.33Å; G361-S411 PolarHBondContact O-OG 2.77Å; G361-T448 VanDerWaalsContact C-OG1 3.32Å; G361-T448 PolarHBondContact N-OG1 3.04Å; G361-T448 WeakPolarHBondContact O-CG2 3.34Å; G361-T448 PolarHBondContact O-OG1 2.86Å; G361-T448 VanDerWaalsContact O-OG1 3.11Å | ||
| 362 | N | 94.9 | Very high | 96.4 | Very high | 58 Ų | 58 | 13.6 Ų | 13.6 | 31% | 0.31 | 8% | 0.076 | S | C | . | . | S | Bend | trans | -120.8 | 28.8 | -175.6 | -67.2 | -36.2 | 0 | 0 | 0 | 112.6 | W409 S411 T448 | N362-W409 CarbonylContact C-O 3.6Å; N362-W409 WeakPolarHBondContact CA-O 3.4Å; N362-W409 VanDerWaalsContact O-O 3.1Å; N362-S411 PolarHBondContact N-OG 3.46Å; N362-T448 PolarHBondContact OD1-N 3.43Å; N362-T448 PolarHBondContact OD1-OG1 3.17Å |
| 363 | N | 95 | Very high | 96.4 | Very high | 38 Ų | 38 | 9.8 Ų | 9.8 | 20% | 0.203 | 6% | 0.059 | C | C | . | . | trans | -107.7 | 27.9 | -178 | -74.9 | 95.5 | 0 | 0 | 0 | 112.7 | T369 W409 S411 H691 Y701 R702 | N363-T369 WeakPolarHBondContact O-CB 3.4Å; N363-T369 WeakPolarHBondContact O-CG2 3.21Å; N363-T369 PolarHBondContact O-OG1 3.21Å; N363-W409 PolarHBondContact N-O 2.84Å; N363-S411 PolarHBondContact N-OG 2.95Å; N363-H691 PolarHBondContact O-CE1 3.04Å; N363-Y701 HydrophobicContact CB-CE2 4.05Å; N363-Y701 VanDerWaalsContact CB-OH 3.3Å; N363-Y701 WeakPolarHBondContact CB-OH 3.38Å; N363-Y701 PolarHBondContact OD1-OH 2.99Å; N363-R702 PolarHBondContact OD1-NH2 3.05Å | ||
| 364 | G | 95.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | trans | -68.7 | 175.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W409 S410 H691 Y707 | G364-W409 PolarHBondContact N-O 2.83Å; G364-S410 WeakPolarHBondContact CA-O 3.49Å; G364-H691 PolarHBondContact O-ND1 3.02Å; G364-Y707 VanDerWaalsContact O-CE2 3.27Å; G364-Y707 WeakPolarHBondContact O-CE2 3.15Å | ||
| 365 | P | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | S | Bend | cis | -89.1 | -14.7 | 8.4 | 32.8 | -38 | 0 | 0 | 0 | 115.8 | T408 R412 I659 R661 V689 H691 C733 A735 | P365-T408 WeakPolarHBondContact CA-O 3.27Å; P365-T408 WeakPolarHBondContact CB-O 3.02Å; P365-R412 WeakPolarHBondContact O-CD 3.49Å; P365-I659 HydrophobicContact CB-CD1 3.85Å; P365-I659 HydrophobicContact CB-CG1 4.43Å; P365-I659 HydrophobicContact CB-CG2 4.11Å; P365-R661 PolarHBondContact O-NH1 3.33Å; P365-V689 HydrophobicContact CG-CG1 4.37Å; P365-H691 WeakPolarHBondContact CD-ND1 3.36Å; P365-H691 HydrophobicContact CG-CB 4.05Å; P365-C733 HydrophobicContact CB-CB 4.38Å; P365-C733 HydrophobicContact CG-CB 3.75Å; P365-A735 HydrophobicContact CB-CB 4.32Å; P365-A735 HydrophobicContact CG-CB 3.94Å |
| 366 | C | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -59.4 | 155.6 | -179.3 | -75.5 | 0 | 0 | 0 | 0 | 112.6 | T369 H691 V693 E731 | C366-T369 HydrophobicContact CB-CG2 4.08Å; C366-T369 WeakPolarHBondContact O-CG2 3.33Å; C366-T369 PolarHBondContact O-OG1 3.08Å; C366-H691 VanDerWaalsContact SG-C 3.57Å; C366-H691 VanDerWaalsContact SG-CG 3.52Å; C366-H691 PolarHBondContact SG-O 3.42Å; C366-V693 HydrophobicContact CB-CB 4.13Å; C366-V693 HydrophobicContact CB-CG2 3.54Å; C366-E731 WeakPolarHBondContact CA-OE1 3.26Å; C366-E731 HydrophobicContact CB-CG 4.49Å |
| 367 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | B | Isolated β-bridge | trans | -72.8 | 162.7 | 173.3 | -55.9 | -175.5 | 0 | 0 | 0 | 111.6 | T369 R412 G413 F495 L608 F663 E731 | L367-T369 PolarHBondContact O-N 3.35Å; L367-R412 HydrophobicContact CD2-CB 4.12Å; L367-G413 WeakPolarHBondContact CA-O 3.48Å; L367-G413 VanDerWaalsContact CB-O 3.26Å; L367-G413 WeakPolarHBondContact CB-O 3.25Å; L367-G413 WeakPolarHBondContact CD2-O 2.94Å; L367-F495 HydrophobicContact CD2-CB 3.94Å; L367-F495 HydrophobicContact CD2-CD2 4.06Å; L367-F495 HydrophobicContact CD2-CG 4.09Å; L367-L608 HydrophobicContact CD1-CD1 3.66Å; L367-L608 HydrophobicContact CD1-CD2 3.64Å; L367-L608 HydrophobicContact CD1-CG 4.29Å; L367-L608 HydrophobicContact CD2-CD2 4.48Å; L367-F663 HydrophobicContact CD1-CE1 4.4Å; L367-F663 HydrophobicContact CD1-CZ 3.81Å; L367-F663 HydrophobicContact CG-CZ 4.49Å; L367-E731 WeakPolarHBondContact CB-OE2 3.46Å; L367-E731 WeakPolarHBondContact CG-OE1 3.25Å; L367-E731 VanDerWaalsContact N-CD 3.3Å; L367-E731 PolarHBondContact N-OE1 2.91Å; L367-E731 PolarHBondContact N-OE2 3.13Å |
| 368 | S | 96.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 9 Ų | 9 | 5% | 0.049 | 6% | 0.059 | C | C | . | . | S | Bend | trans | 62.2 | 31.5 | 180 | -52.8 | 0 | 0 | 0 | 0 | 114 | R412 G413 P414 R536 Y701 | S368-R412 PolarHBondContact N-O 3.04Å; S368-G413 PolarHBondContact N-O 3.09Å; S368-P414 WeakPolarHBondContact CA-O 3.29Å; S368-P414 WeakPolarHBondContact CB-O 3.37Å; S368-P414 PolarHBondContact N-O 2.82Å; S368-P414 PolarHBondContact OG-O 2.8Å; S368-R536 PolarHBondContact OG-NH1 3.12Å; S368-Y701 WeakPolarHBondContact O-CD1 3.23Å |
| 369 | T | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | -107 | 2.8 | -178.1 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | N363 C366 L367 S411 R412 V693 Y701 | N363-T369 WeakPolarHBondContact O-CB 3.4Å; N363-T369 WeakPolarHBondContact O-CG2 3.21Å; N363-T369 PolarHBondContact O-OG1 3.21Å; C366-T369 HydrophobicContact CB-CG2 4.08Å; C366-T369 WeakPolarHBondContact O-CG2 3.33Å; C366-T369 PolarHBondContact O-OG1 3.08Å; L367-T369 PolarHBondContact O-N 3.35Å; T369-S411 VanDerWaalsContact O-CB 3.23Å; T369-S411 WeakPolarHBondContact O-CB 3.39Å; T369-S411 PolarHBondContact O-OG 3.24Å; T369-R412 PolarHBondContact N-O 3.28Å; T369-R412 VanDerWaalsContact N-O 3.08Å; T369-R412 PolarHBondContact OG1-N 2.99Å; T369-R412 PolarHBondContact OG1-O 3.47Å; T369-V693 HydrophobicContact CG2-CG2 4.37Å; T369-Y701 HydrophobicContact CG2-CD2 4.23Å; T369-Y701 HydrophobicContact CG2-CE2 4.34Å | ||
| 370 | V | 96.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 9.1 Ų | 9.1 | 4% | 0.036 | 6% | 0.06 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 137.7 | 174.1 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | A360 T376 V422 | A360-V370 WeakPolarHBondContact O-CA 3.3Å; V370-T376 HydrophobicContact CG2-CG2 4.29Å; V370-V422 HydrophobicContact CG1-CG2 4.12Å |
| 371 | G | 94.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 9.4 Ų | 9.4 | 8% | 0.082 | 6% | 0.061 | C | C | . | . | P | Polyproline II helix | trans | -87.9 | 167.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E331 A360 G374 G375 | E331-G371 WeakPolarHBondContact O-CA 3.46Å; A360-G371 PolarHBondContact O-N 3.4Å; G371-G374 PolarHBondContact O-N 3.44Å; G371-G375 PolarHBondContact O-N 2.67Å |
| 372 | C | 94.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.007 | 5% | 0.054 | C | C | . | . | B | Isolated β-bridge | trans | -94.1 | 136.1 | 171.9 | -162.2 | 0 | 0 | 0 | 0 | 110.8 | G330 E331 T333 T376 Y848 | G330-C372 WeakPolarHBondContact CA-O 3.42Å; E331-C372 PolarHBondContact N-O 3.03Å; E331-C372 PolarHBondContact O-N 3.22Å; T333-C372 HydrophobicContact CG2-CB 4.04Å; C372-T376 WeakPolarHBondContact CA-OG1 3.3Å; C372-T376 VanDerWaalsContact CB-OG1 3.24Å; C372-T376 WeakPolarHBondContact CB-OG1 3.11Å; C372-T376 PolarHBondContact SG-OG1 3.11Å; C372-Y848 HydrophobicContact CB-CD1 4.38Å; C372-Y848 HydrophobicContact CB-CD2 3.71Å; C372-Y848 HydrophobicContact CB-CE2 4.18Å; C372-Y848 HydrophobicContact CB-CG 3.83Å; C372-Y848 VanDerWaalsContact O-CZ 3.31Å; C372-Y848 PolarHBondContact O-OH 3.11Å; C372-Y848 WeakPolarHBondContact SG-CB 3.48Å |
| 373 | P | 95.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.4 | -10.9 | 1.3 | 36 | -34.4 | 0 | 0 | 0 | 114.2 | Y327 I345 Y356 G375 T376 T377 V380 | Y327-P373 HydrophobicContact CD1-CG 3.98Å; Y327-P373 HydrophobicContact CE1-CG 3.98Å; I345-P373 HydrophobicContact CD1-CB 4.09Å; I345-P373 HydrophobicContact CD1-CG 4.19Å; Y356-P373 HydrophobicContact CE1-CG 4.17Å; P373-G375 PolarHBondContact O-N 2.85Å; P373-T376 PolarHBondContact O-N 2.9Å; P373-T377 WeakPolarHBondContact CB-OG1 3.41Å; P373-T377 WeakPolarHBondContact O-CB 3.04Å; P373-T377 PolarHBondContact O-N 3Å; P373-T377 PolarHBondContact O-OG1 3.26Å; P373-V380 HydrophobicContact CB-CG2 4.2Å |
| 374 | G | 93.4 | Very high | 96 | Very high | 2 Ų | 2 | 4.2 Ų | 4.2 | 2% | 0.021 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -43.8 | -162.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | S358 G371 G382 | S358-G374 VanDerWaalsContact OG-CA 3.26Å; S358-G374 WeakPolarHBondContact OG-CA 3.48Å; S358-G374 PolarHBondContact OG-N 3.02Å; G371-G374 PolarHBondContact O-N 3.44Å; G374-G382 WeakPolarHBondContact O-CA 3.28Å; G374-G382 PolarHBondContact O-N 3.01Å |
| 375 | G | 92.3 | Very high | 96 | Very high | 2 Ų | 2 | 4.2 Ų | 4.2 | 2% | 0.021 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 6.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G371 P373 G421 | G371-G375 PolarHBondContact O-N 2.67Å; P373-G375 PolarHBondContact O-N 2.85Å; G375-G421 WeakPolarHBondContact CA-O 3.4Å; G375-G421 WeakPolarHBondContact O-CA 3.43Å |
| 376 | T | 95.5 | Very high | 96 | Very high | 4 Ų | 4 | 5 Ų | 5 | 3% | 0.025 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -10.4 | -175.8 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | T333 P336 N337 V370 C372 P373 R531 | T333-T376 HydrophobicContact CG2-CG2 3.88Å; P336-T376 HydrophobicContact CB-CG2 4.35Å; P336-T376 HydrophobicContact CG-CG2 4.41Å; N337-T376 WeakPolarHBondContact CA-O 3.5Å; N337-T376 WeakPolarHBondContact CB-O 3.48Å; N337-T376 PolarHBondContact N-O 3.15Å; V370-T376 HydrophobicContact CG2-CG2 4.29Å; C372-T376 WeakPolarHBondContact CA-OG1 3.3Å; C372-T376 VanDerWaalsContact CB-OG1 3.24Å; C372-T376 WeakPolarHBondContact CB-OG1 3.11Å; C372-T376 PolarHBondContact SG-OG1 3.11Å; P373-T376 PolarHBondContact O-N 2.9Å; T376-R531 PolarHBondContact O-NH1 2.9Å; T376-R531 VanDerWaalsContact O-NH1 3.15Å; T376-R531 PolarHBondContact O-NH2 2.63Å; T376-R531 VanDerWaalsContact O-NH2 3.15Å |
| 377 | T | 95.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 5 Ų | 5 | 3% | 0.025 | 3% | 0.033 | C | C | . | . | trans | -111.4 | 132.7 | -179.4 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | C342 P373 S379 V380 | C342-T377 HydrophobicContact CB-CG2 4.47Å; P373-T377 WeakPolarHBondContact CB-OG1 3.41Å; P373-T377 WeakPolarHBondContact O-CB 3.04Å; P373-T377 PolarHBondContact O-N 3Å; P373-T377 PolarHBondContact O-OG1 3.26Å; T377-S379 PolarHBondContact O-N 3.47Å; T377-V380 HydrophobicContact CG2-CG2 4.02Å; T377-V380 PolarHBondContact O-N 2.95Å | ||
| 378 | S | 92.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 5 Ų | 5 | 26% | 0.259 | 3% | 0.033 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -32.8 | -169.9 | -55.7 | 0 | 0 | 0 | 0 | 114.4 | N337 V380 R479 R531 | N337-S378 VanDerWaalsContact CG-OG 3.25Å; N337-S378 PolarHBondContact ND2-OG 3.38Å; N337-S378 WeakPolarHBondContact OD1-CB 3.14Å; N337-S378 PolarHBondContact OD1-N 3.43Å; N337-S378 PolarHBondContact OD1-OG 3.17Å; S378-V380 VanDerWaalsContact C-N 3.29Å; S378-R479 PolarHBondContact O-NH1 3.25Å; S378-R531 WeakPolarHBondContact OG-CD 3.25Å |
| 379 | S | 95.1 | Very high | 95.2 | Very high | 9 Ų | 9 | 6.5 Ų | 6.5 | 6% | 0.063 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14.2 | -179 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | N346 T377 | N346-S379 WeakPolarHBondContact OD1-CB 3.41Å; N346-S379 PolarHBondContact OD1-OG 3.34Å; T377-S379 PolarHBondContact O-N 3.47Å |
| 380 | V | 97.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 7.8 Ų | 7.8 | 1% | 0.012 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -95.1 | 140.4 | -171.2 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | I345 Y356 S358 P373 T377 S378 | I345-V380 HydrophobicContact CG2-CG2 3.79Å; Y356-V380 HydrophobicContact CD1-CB 4.38Å; Y356-V380 HydrophobicContact CD1-CG1 3.82Å; Y356-V380 HydrophobicContact CD1-CG2 3.76Å; Y356-V380 HydrophobicContact CE1-CG1 4.4Å; Y356-V380 HydrophobicContact CE1-CG2 4.33Å; Y356-V380 HydrophobicContact CG-CG2 4.06Å; S358-V380 VanDerWaalsContact CB-CG1 3.46Å; P373-V380 HydrophobicContact CB-CG2 4.2Å; T377-V380 HydrophobicContact CG2-CG2 4.02Å; T377-V380 PolarHBondContact O-N 2.95Å; S378-V380 VanDerWaalsContact C-N 3.29Å |
| 381 | I | 98.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 7.5 Ų | 7.5 | 3% | 0.031 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 102.1 | 172.2 | -58 | 176.9 | 0 | 0 | 0 | 108.2 | I355 Y356 S358 I424 R479 L482 | I355-I381 HydrophobicContact CG2-CD1 3.86Å; Y356-I381 PolarHBondContact O-N 3.25Å; S358-I381 PolarHBondContact N-O 2.81Å; I381-I424 HydrophobicContact CG2-CD1 4.02Å; I381-I424 HydrophobicContact CG2-CG1 3.96Å; I381-R479 HydrophobicContact CD1-CB 4.17Å; I381-R479 HydrophobicContact CD1-CG 4.38Å; I381-R479 HydrophobicContact CG1-CG 4.28Å; I381-L482 HydrophobicContact CD1-CD1 4Å |
| 382 | G | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 129.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S358 G374 S423 I424 | S358-G382 CarbonylContact O-C 3.56Å; S358-G382 WeakPolarHBondContact O-CA 3.44Å; G374-G382 WeakPolarHBondContact O-CA 3.28Å; G374-G382 PolarHBondContact O-N 3.01Å; G382-S423 PolarHBondContact O-N 3.16Å; G382-I424 PolarHBondContact O-N 2.97Å |
| 383 | V | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.5 | -174.1 | -167.8 | 0 | 0 | 0 | 0 | 112.3 | V357 S358 A360 I424 A426 S451 A455 | V357-V383 HydrophobicContact CG1-CG2 3.56Å; S358-V383 PolarHBondContact O-N 3.5Å; A360-V383 WeakPolarHBondContact CB-O 3.33Å; A360-V383 PolarHBondContact N-O 3.2Å; V383-I424 WeakPolarHBondContact CA-O 3.26Å; V383-I424 HydrophobicContact CG2-CG1 4.35Å; V383-A426 HydrophobicContact CG1-CB 3.91Å; V383-S451 PolarHBondContact O-OG 3.11Å; V383-A455 HydrophobicContact CG1-CB 4Å; V383-A455 HydrophobicContact CG2-CB 3.96Å |
| 384 | G | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 158.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | I424 A426 S451 | G384-I424 PolarHBondContact N-O 2.84Å; G384-A426 PolarHBondContact O-N 3.44Å; G384-S451 VanDerWaalsContact O-CB 3.23Å; G384-S451 WeakPolarHBondContact O-CB 3.32Å; G384-S451 PolarHBondContact O-OG 2.92Å; G384-S451 VanDerWaalsContact O-OG 3.04Å |
| 385 | A | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 98.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q406 Y407 S410 T448 | A385-Q406 VanDerWaalsContact N-OE1 3.12Å; A385-Q406 WeakPolarHBondContact O-CA 3.31Å; A385-Q406 PolarHBondContact O-OE1 2.93Å; A385-Y407 HydrophobicContact CB-CD2 3.67Å; A385-Y407 HydrophobicContact CB-CE2 4.47Å; A385-Y407 WeakPolarHBondContact O-CD2 3.47Å; A385-Y407 PolarHBondContact O-N 3.49Å; A385-S410 PolarHBondContact N-OG 2.84Å; A385-T448 HydrophobicContact CB-CG2 3.64Å |
| 386 | Y | 94.8 | Very high | 93.2 | Very high | 17 Ų | 17 | 12.9 Ų | 12.9 | 7% | 0.067 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 145.9 | 178.5 | 172.9 | -100.9 | 0 | 0 | 0 | 111.8 | E20 A404 N405 A426 P427 G428 A489 I501 | E20-Y386 HydrophobicContact CB-CE1 4.29Å; E20-Y386 HydrophobicContact CG-CE1 4.12Å; Y386-A404 HydrophobicContact CE2-CB 3.77Å; Y386-A404 WeakPolarHBondContact OH-CB 3.41Å; Y386-N405 VanDerWaalsContact CD2-O 3.27Å; Y386-N405 WeakPolarHBondContact CD2-O 3.42Å; Y386-A426 WeakPolarHBondContact CB-O 3.42Å; Y386-A426 PolarHBondContact N-O 2.86Å; Y386-P427 CarbonylContact O-C 3.45Å; Y386-P427 WeakPolarHBondContact O-CA 3.39Å; Y386-G428 PolarHBondContact O-N 3.25Å; Y386-A489 HydrophobicContact CE2-CB 4.45Å; Y386-I501 HydrophobicContact CD1-CD1 4.14Å; Y386-I501 HydrophobicContact CD2-CD1 3.71Å; Y386-I501 HydrophobicContact CD2-CG1 4.13Å; Y386-I501 HydrophobicContact CE1-CD1 3.9Å; Y386-I501 HydrophobicContact CE2-CD1 3.44Å; Y386-I501 VanDerWaalsContact CE2-CD1 3.44Å; Y386-I501 HydrophobicContact CE2-CG1 4.35Å; Y386-I501 HydrophobicContact CG-CD1 4.03Å; Y386-I501 HydrophobicContact CG-CG1 4.26Å |
| 387 | V | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.9 | 173.2 | 58.2 | 0 | 0 | 0 | 0 | 109.8 | M391 M392 N405 Y407 W738 | V387-M391 HydrophobicContact CG2-CB 4.41Å; V387-M391 HydrophobicContact CG2-CE 4.42Å; V387-M392 HydrophobicContact CB-CE 4.33Å; V387-M392 HydrophobicContact CG1-CE 3.79Å; V387-M392 HydrophobicContact CG2-CE 3.8Å; V387-M392 HydrophobicContact CG2-CG 3.85Å; V387-N405 HydrophobicContact CG1-CB 4.2Å; V387-N405 WeakPolarHBondContact CG1-O 3.17Å; V387-N405 PolarHBondContact N-O 2.84Å; V387-N405 PolarHBondContact O-N 3.44Å; V387-N405 VanDerWaalsContact O-N 3.09Å; V387-Y407 HydrophobicContact CB-CD2 4.41Å; V387-Y407 HydrophobicContact CB-CE1 4.14Å; V387-Y407 HydrophobicContact CB-CE2 3.92Å; V387-Y407 HydrophobicContact CG1-CE1 4.49Å; V387-Y407 HydrophobicContact CG2-CE1 4.28Å; V387-W738 HydrophobicContact CG2-CH2 4.4Å; V387-W738 HydrophobicContact CG2-CZ3 4.18Å |
| 388 | S | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -91.6 | 155.4 | -178.5 | 92.6 | 0 | 0 | 0 | 0 | 111.8 | E20 D390 M391 M392 | E20-S388 WeakPolarHBondContact OE1-CB 3.35Å; E20-S388 PolarHBondContact OE1-OG 3.39Å; S388-D390 PolarHBondContact O-N 2.66Å; S388-D390 PolarHBondContact OG-N 2.77Å; S388-M391 PolarHBondContact N-SD 2.95Å; S388-M391 WeakPolarHBondContact O-CB 2.97Å; S388-M391 PolarHBondContact O-N 3.5Å; S388-M391 VanDerWaalsContact O-N 3.17Å; S388-M391 WeakPolarHBondContact OG-CG 3.31Å; S388-M391 PolarHBondContact OG-N 3.05Å; S388-M392 VanDerWaalsContact O-CG 3.3Å; S388-M392 WeakPolarHBondContact O-CG 3.28Å; S388-M392 PolarHBondContact O-N 2.83Å; S388-M392 VanDerWaalsContact O-N 3.16Å | ||
| 389 | P | 89 | Confident | 92 | Very high | 39 Ų | 39 | 26 Ų | 26 | 25% | 0.253 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -56.6 | -30.8 | 175.2 | -23 | 32 | 0 | 0 | 0 | 113.7 | K401 L402 | P389-K401 HydrophobicContact CB-CB 4.2Å; P389-K401 HydrophobicContact CB-CD 4.26Å; P389-K401 HydrophobicContact CB-CG 4.39Å; P389-L402 WeakPolarHBondContact CB-O 3.3Å; P389-L402 WeakPolarHBondContact CG-O 3.35Å |
| 390 | D | 88.9 | Confident | 91.4 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74.6 | -38.6 | 179.7 | -69.4 | -22.4 | 0 | 0 | 0 | 111.2 | H13 S388 M392 V393 A394 K401 | H13-D390 IonicContact NE2-OD2 3.58Å; S388-D390 PolarHBondContact O-N 2.66Å; S388-D390 PolarHBondContact OG-N 2.77Å; D390-M392 VanDerWaalsContact C-N 3.31Å; D390-M392 PolarHBondContact O-N 2.96Å; D390-V393 PolarHBondContact O-N 3.2Å; D390-A394 WeakPolarHBondContact O-CB 3.15Å; D390-A394 PolarHBondContact O-N 2.97Å; D390-K401 IonicContact OD1-NZ 3.44Å; D390-K401 PolarHBondContact OD1-NZ 3.22Å |
| 391 | M | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 172.1 | -64.3 | 164.2 | 67.2 | 0 | 0 | 111.5 | P17 V387 S388 V393 A394 E395 P427 G429 | P17-M391 HydrophobicContact CB-CG 4.06Å; P17-M391 HydrophobicContact CB-SD 4.23Å; P17-M391 HydrophobicContact CG-CE 4.25Å; P17-M391 HydrophobicContact CG-CG 3.9Å; P17-M391 HydrophobicContact CG-SD 3.85Å; V387-M391 HydrophobicContact CG2-CB 4.41Å; V387-M391 HydrophobicContact CG2-CE 4.42Å; S388-M391 PolarHBondContact N-SD 2.95Å; S388-M391 WeakPolarHBondContact O-CB 2.97Å; S388-M391 PolarHBondContact O-N 3.5Å; S388-M391 VanDerWaalsContact O-N 3.17Å; S388-M391 WeakPolarHBondContact OG-CG 3.31Å; S388-M391 PolarHBondContact OG-N 3.05Å; M391-V393 PolarHBondContact O-N 2.87Å; M391-A394 PolarHBondContact O-N 2.98Å; M391-E395 HydrophobicContact CB-CG 4.45Å; M391-E395 VanDerWaalsContact O-CB 3.27Å; M391-E395 WeakPolarHBondContact O-CB 3.14Å; M391-E395 PolarHBondContact O-N 2.72Å; M391-P427 HydrophobicContact CE-CB 4.26Å; M391-P427 HydrophobicContact SD-CB 3.91Å; M391-G429 VanDerWaalsContact CE-CA 3.49Å |
| 392 | M | 90 | Very high | 90.1 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -37.3 | -179.5 | -62.9 | 179.4 | -173.1 | 0 | 0 | 112.4 | V387 S388 D390 Y396 S397 L398 L402 P403 W738 | V387-M392 HydrophobicContact CB-CE 4.33Å; V387-M392 HydrophobicContact CG1-CE 3.79Å; V387-M392 HydrophobicContact CG2-CE 3.8Å; V387-M392 HydrophobicContact CG2-CG 3.85Å; S388-M392 VanDerWaalsContact O-CG 3.3Å; S388-M392 WeakPolarHBondContact O-CG 3.28Å; S388-M392 PolarHBondContact O-N 2.83Å; S388-M392 VanDerWaalsContact O-N 3.16Å; D390-M392 VanDerWaalsContact C-N 3.31Å; D390-M392 PolarHBondContact O-N 2.96Å; M392-Y396 CarbonylContact O-C 3.13Å; M392-Y396 WeakPolarHBondContact O-CB 3.48Å; M392-S397 PolarHBondContact O-N 3.03Å; M392-L398 HydrophobicContact CB-CB 4.35Å; M392-L398 HydrophobicContact CB-CD1 4.21Å; M392-L398 HydrophobicContact CB-CD2 4.19Å; M392-L398 HydrophobicContact CB-CG 4.48Å; M392-L398 WeakPolarHBondContact O-CB 3.37Å; M392-L398 VanDerWaalsContact O-CD1 3.3Å; M392-L398 WeakPolarHBondContact O-CD1 3.42Å; M392-L398 PolarHBondContact O-N 2.86Å; M392-L402 HydrophobicContact CE-CB 4.29Å; M392-L402 HydrophobicContact SD-CB 3.6Å; M392-L402 VanDerWaalsContact SD-CB 3.6Å; M392-L402 HydrophobicContact SD-CD1 4.4Å; M392-L402 HydrophobicContact SD-CG 4.29Å; M392-P403 WeakPolarHBondContact CE-O 3.44Å; M392-W738 HydrophobicContact CE-CE3 4.31Å; M392-W738 HydrophobicContact CE-CZ3 4.37Å; M392-W738 HydrophobicContact CG-CZ3 3.79Å; M392-W738 HydrophobicContact SD-CZ3 4.31Å |
| 393 | V | 86.9 | Confident | 89.6 | Confident | 49 Ų | 49 | 43 Ų | 43 | 30% | 0.297 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -77.4 | -52.5 | 176.9 | 177 | 0 | 0 | 0 | 0 | 110.6 | D390 M391 S397 K401 | D390-V393 PolarHBondContact O-N 3.2Å; M391-V393 PolarHBondContact O-N 2.87Å; V393-S397 WeakPolarHBondContact O-CA 3.38Å; V393-S397 PolarHBondContact O-N 3.49Å; V393-K401 HydrophobicContact CG2-CD 4.34Å; V393-K401 HydrophobicContact CG2-CG 3.52Å |
| 394 | A | 86.7 | Confident | 89.2 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.3 | -43.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P11 L15 D390 M391 | P11-A394 HydrophobicContact CB-CB 4.3Å; P11-A394 HydrophobicContact CG-CB 3.86Å; L15-A394 HydrophobicContact CD2-CB 4.18Å; D390-A394 WeakPolarHBondContact O-CB 3.15Å; D390-A394 PolarHBondContact O-N 2.97Å; M391-A394 PolarHBondContact O-N 2.98Å |
| 395 | E | 90 | Very high | 88.8 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -38.6 | -173.8 | -59 | 179.9 | 172.2 | 0 | 0 | 111.9 | G14 M391 G429 A430 I431 L444 | G14-E395 VanDerWaalsContact O-CG 3.23Å; G14-E395 WeakPolarHBondContact O-CG 3.29Å; M391-E395 HydrophobicContact CB-CG 4.45Å; M391-E395 VanDerWaalsContact O-CB 3.27Å; M391-E395 WeakPolarHBondContact O-CB 3.14Å; M391-E395 PolarHBondContact O-N 2.72Å; E395-G429 WeakPolarHBondContact OE2-CA 3.25Å; E395-A430 WeakPolarHBondContact OE1-CA 3.29Å; E395-A430 PolarHBondContact OE1-N 3.41Å; E395-I431 HydrophobicContact CG-CG1 4.44Å; E395-L444 HydrophobicContact CB-CD1 3.81Å; E395-L444 HydrophobicContact CB-CD2 4.48Å; E395-L444 HydrophobicContact CG-CD1 4.29Å; E395-L444 VanDerWaalsContact O-CD2 3.29Å; E395-L444 WeakPolarHBondContact O-CD2 3.44Å |
| 396 | Y | 88.4 | Confident | 88.5 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -1.8 | -170 | -64.1 | -86.5 | 0 | 0 | 0 | 114.3 | M392 L398 Y407 L444 N446 W738 | M392-Y396 CarbonylContact O-C 3.13Å; M392-Y396 WeakPolarHBondContact O-CB 3.48Å; Y396-L398 HydrophobicContact CG-CD1 4.23Å; Y396-L398 PolarHBondContact O-N 3.06Å; Y396-Y407 WeakPolarHBondContact CE2-OH 3.11Å; Y396-Y407 WeakPolarHBondContact OH-CE1 3.17Å; Y396-Y407 PolarHBondContact OH-OH 3.4Å; Y396-L444 HydrophobicContact CD1-CD2 4.23Å; Y396-L444 HydrophobicContact CE1-CD2 4.15Å; Y396-N446 WeakPolarHBondContact OH-CB 3.33Å; Y396-N446 VanDerWaalsContact OH-CG 3.3Å; Y396-N446 PolarHBondContact OH-ND2 3.36Å; Y396-N446 VanDerWaalsContact OH-ND2 3.13Å; Y396-W738 AromaticContact CD1-CH2 3.8Å; Y396-W738 HydrophobicContact CD1-CH2 3.8Å; Y396-W738 AromaticContact CD1-CZ2 3.86Å; Y396-W738 HydrophobicContact CD1-CZ2 3.86Å; Y396-W738 AromaticContact CD2-CH2 3.57Å; Y396-W738 HydrophobicContact CD2-CH2 3.57Å; Y396-W738 HydrophobicContact CD2-CZ2 4.21Å; Y396-W738 AromaticContact CE1-CH2 3.95Å; Y396-W738 HydrophobicContact CE1-CH2 3.95Å; Y396-W738 AromaticContact CE1-CZ2 3.62Å; Y396-W738 HydrophobicContact CE1-CZ2 3.62Å; Y396-W738 AromaticContact CE2-CH2 3.73Å; Y396-W738 HydrophobicContact CE2-CH2 3.73Å; Y396-W738 AromaticContact CE2-CZ2 4Å; Y396-W738 HydrophobicContact CE2-CZ2 4Å; Y396-W738 AromaticContact CG-CH2 3.59Å; Y396-W738 HydrophobicContact CG-CH2 3.59Å; Y396-W738 HydrophobicContact CG-CZ2 4.13Å; Y396-W738 AromaticContact CZ-CH2 3.88Å; Y396-W738 AromaticContact CZ-CZ2 3.67Å |
| 397 | S | 88.5 | Confident | 88.3 | Confident | 100 Ų | 100 | 45.6 Ų | 45.6 | 70% | 0.699 | 24% | 0.239 | S | C | * | . | trans | 53.6 | 34.8 | -179.3 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | M392 V393 R399 | M392-S397 PolarHBondContact O-N 3.03Å; V393-S397 WeakPolarHBondContact O-CA 3.38Å; V393-S397 PolarHBondContact O-N 3.49Å; S397-R399 PolarHBondContact O-N 3.49Å | ||
| 398 | L | 86.6 | Confident | 88.1 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | trans | -62.8 | 137.6 | 175.4 | -88.7 | 79.3 | 0 | 0 | 0 | 109.4 | M392 Y396 E400 L402 W738 L741 | M392-L398 HydrophobicContact CB-CB 4.35Å; M392-L398 HydrophobicContact CB-CD1 4.21Å; M392-L398 HydrophobicContact CB-CD2 4.19Å; M392-L398 HydrophobicContact CB-CG 4.48Å; M392-L398 WeakPolarHBondContact O-CB 3.37Å; M392-L398 VanDerWaalsContact O-CD1 3.3Å; M392-L398 WeakPolarHBondContact O-CD1 3.42Å; M392-L398 PolarHBondContact O-N 2.86Å; Y396-L398 HydrophobicContact CG-CD1 4.23Å; Y396-L398 PolarHBondContact O-N 3.06Å; L398-E400 PolarHBondContact O-N 3.35Å; L398-L402 HydrophobicContact CD2-CD1 3.7Å; L398-L402 HydrophobicContact CD2-CG 4.21Å; L398-W738 HydrophobicContact CD1-CH2 4.21Å; L398-W738 HydrophobicContact CD1-CZ3 4.17Å; L398-W738 HydrophobicContact CD2-CZ3 4.31Å; L398-L741 HydrophobicContact CD2-CD2 3.98Å; L398-L741 HydrophobicContact CG-CD2 4.35Å | ||
| 399 | R | 83.4 | Confident | 88.1 | Confident | 200 Ų | 200 | 46.7 Ų | 46.7 | 76% | 0.755 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -66.4 | -21.3 | 179.8 | -63.8 | -175.8 | -66.4 | 165.8 | 2 | 113 | S397 L741 | S397-R399 PolarHBondContact O-N 3.49Å; R399-L741 HydrophobicContact CB-CD1 3.99Å; R399-L741 HydrophobicContact CG-CD1 4.27Å; R399-L741 VanDerWaalsContact NE-CD1 3.3Å |
| 400 | E | 83.1 | Confident | 88.5 | Confident | 118 Ų | 118 | 44.9 Ų | 44.9 | 55% | 0.551 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -142.4 | 146.2 | -175.3 | -62.7 | 173.5 | -158.5 | 0 | 0 | 109.8 | L398 L402 L741 | L398-E400 PolarHBondContact O-N 3.35Å; E400-L402 PolarHBondContact O-N 2.83Å; E400-L741 HydrophobicContact CB-CD2 4.31Å |
| 401 | K | 83.5 | Confident | 88.8 | Confident | 128 Ų | 128 | 43.6 Ų | 43.6 | 56% | 0.557 | 22% | 0.224 | S | C | * | . | trans | -75.8 | 116 | 173.1 | -73.4 | -169.5 | -178.4 | -166.6 | 0 | 109.4 | P389 D390 V393 | P389-K401 HydrophobicContact CB-CB 4.2Å; P389-K401 HydrophobicContact CB-CD 4.26Å; P389-K401 HydrophobicContact CB-CG 4.39Å; D390-K401 IonicContact OD1-NZ 3.44Å; D390-K401 PolarHBondContact OD1-NZ 3.22Å; V393-K401 HydrophobicContact CG2-CD 4.34Å; V393-K401 HydrophobicContact CG2-CG 3.52Å | ||
| 402 | L | 85.3 | Confident | 89.1 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -88.1 | 159 | 170 | -55.2 | 170.7 | 0 | 0 | 0 | 110 | P389 M392 L398 E400 P656 | P389-L402 WeakPolarHBondContact CB-O 3.3Å; P389-L402 WeakPolarHBondContact CG-O 3.35Å; M392-L402 HydrophobicContact CE-CB 4.29Å; M392-L402 HydrophobicContact SD-CB 3.6Å; M392-L402 VanDerWaalsContact SD-CB 3.6Å; M392-L402 HydrophobicContact SD-CD1 4.4Å; M392-L402 HydrophobicContact SD-CG 4.29Å; L398-L402 HydrophobicContact CD2-CD1 3.7Å; L398-L402 HydrophobicContact CD2-CG 4.21Å; E400-L402 PolarHBondContact O-N 2.83Å; L402-P656 HydrophobicContact CD1-CB 3.77Å; L402-P656 HydrophobicContact CD1-CG 4.28Å; L402-P656 HydrophobicContact CD2-CB 4.42Å; L402-P656 HydrophobicContact CD2-CG 4.16Å |
| 403 | P | 87.9 | Confident | 89.4 | Confident | 108 Ų | 108 | 43.7 Ų | 43.7 | 70% | 0.701 | 23% | 0.225 | S | C | * | . | P | Polyproline II helix | trans | -56.8 | 151.2 | 173.1 | -24.4 | 34.6 | 0 | 0 | 0 | 112.5 | M392 N405 | M392-P403 WeakPolarHBondContact CE-O 3.44Å; P403-N405 PolarHBondContact O-N 2.86Å |
| 404 | A | 88.6 | Confident | 89.9 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -48.9 | 134.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y386 | Y386-A404 HydrophobicContact CE2-CB 3.77Å; Y386-A404 WeakPolarHBondContact OH-CB 3.41Å |
| 405 | N | 89.3 | Confident | 90.4 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 175 | -178.1 | -154.1 | -11.1 | 0 | 0 | 0 | 111.6 | Y386 V387 P403 | Y386-N405 VanDerWaalsContact CD2-O 3.27Å; Y386-N405 WeakPolarHBondContact CD2-O 3.42Å; V387-N405 HydrophobicContact CG1-CB 4.2Å; V387-N405 WeakPolarHBondContact CG1-O 3.17Å; V387-N405 PolarHBondContact N-O 2.84Å; V387-N405 PolarHBondContact O-N 3.44Å; V387-N405 VanDerWaalsContact O-N 3.09Å; P403-N405 PolarHBondContact O-N 2.86Å |
| 406 | Q | 89.6 | Confident | 90.6 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 146.7 | 163.2 | -71.1 | -78.1 | -25.7 | 0 | 0 | 108.3 | A385 T408 S425 I492 A496 | A385-Q406 VanDerWaalsContact N-OE1 3.12Å; A385-Q406 WeakPolarHBondContact O-CA 3.31Å; A385-Q406 PolarHBondContact O-OE1 2.93Å; Q406-T408 PolarHBondContact O-N 2.86Å; Q406-S425 PolarHBondContact NE2-OG 3.5Å; Q406-I492 HydrophobicContact CB-CG2 4.35Å; Q406-I492 HydrophobicContact CG-CD1 3.99Å; Q406-I492 HydrophobicContact CG-CG2 3.42Å; Q406-I492 VanDerWaalsContact CG-CG2 3.42Å; Q406-A496 HydrophobicContact CB-CB 4.36Å; Q406-A496 HydrophobicContact CG-CB 4Å |
| 407 | Y | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -55.9 | 135.6 | 169.8 | -73.4 | -72.9 | 0 | 0 | 0 | 109.9 | A385 V387 Y396 W409 S410 R412 G428 W738 | A385-Y407 HydrophobicContact CB-CD2 3.67Å; A385-Y407 HydrophobicContact CB-CE2 4.47Å; A385-Y407 WeakPolarHBondContact O-CD2 3.47Å; A385-Y407 PolarHBondContact O-N 3.49Å; V387-Y407 HydrophobicContact CB-CD2 4.41Å; V387-Y407 HydrophobicContact CB-CE1 4.14Å; V387-Y407 HydrophobicContact CB-CE2 3.92Å; V387-Y407 HydrophobicContact CG1-CE1 4.49Å; V387-Y407 HydrophobicContact CG2-CE1 4.28Å; Y396-Y407 WeakPolarHBondContact CE2-OH 3.11Å; Y396-Y407 WeakPolarHBondContact OH-CE1 3.17Å; Y396-Y407 PolarHBondContact OH-OH 3.4Å; Y407-W409 AromaticContact CD1-CH2 3.24Å; Y407-W409 HydrophobicContact CD1-CH2 3.24Å; Y407-W409 AromaticContact CD1-CZ2 3.33Å; Y407-W409 HydrophobicContact CD1-CZ2 3.33Å; Y407-W409 AromaticContact CD1-CZ3 3.88Å; Y407-W409 HydrophobicContact CD1-CZ3 3.88Å; Y407-W409 AromaticContact CE1-CH2 3.79Å; Y407-W409 HydrophobicContact CE1-CH2 3.79Å; Y407-W409 AromaticContact CE1-CZ2 3.91Å; Y407-W409 HydrophobicContact CE1-CZ2 3.91Å; Y407-W409 HydrophobicContact CG-CH2 4.04Å; Y407-W409 AromaticContact CG-CZ2 3.71Å; Y407-W409 HydrophobicContact CG-CZ2 3.71Å; Y407-W409 PolarHBondContact O-N 3.17Å; Y407-S410 WeakPolarHBondContact O-CB 3.23Å; Y407-S410 PolarHBondContact O-N 2.89Å; Y407-R412 PolarHBondContact O-NH2 3.14Å; Y407-G428 WeakPolarHBondContact CE2-O 3.36Å; Y407-W738 AromaticContact CD1-CD1 3.89Å; Y407-W738 HydrophobicContact CD1-CD2 4.31Å; Y407-W738 AromaticContact CD1-CE2 3.81Å; Y407-W738 HydrophobicContact CD1-CG 4.36Å; Y407-W738 HydrophobicContact CD1-CZ2 4.34Å; Y407-W738 AromaticContact CD1-NE1 3.53Å; Y407-W738 HydrophobicContact CE1-CD2 4.29Å; Y407-W738 AromaticContact CE1-CE2 3.58Å; Y407-W738 HydrophobicContact CE1-CH2 4.41Å; Y407-W738 AromaticContact CE1-CZ2 3.63Å; Y407-W738 HydrophobicContact CE1-CZ2 3.63Å; Y407-W738 AromaticContact CE1-NE1 3.71Å | ||
| 408 | T | 89.7 | Confident | 91.3 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.2 | -174.3 | 46.6 | 0 | 0 | 0 | 0 | 112 | P365 Q406 R412 W738 | P365-T408 WeakPolarHBondContact CA-O 3.27Å; P365-T408 WeakPolarHBondContact CB-O 3.02Å; Q406-T408 PolarHBondContact O-N 2.86Å; T408-R412 PolarHBondContact O-NH1 3.34Å; T408-W738 HydrophobicContact CG2-CB 4.18Å |
| 409 | W | 92 | Very high | 91.8 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 9% | 0.087 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -0.3 | 176.7 | 64.4 | 87.3 | 0 | 0 | 0 | 114.4 | N362 N363 G364 Y407 S411 N446 W737 W738 | N362-W409 CarbonylContact C-O 3.6Å; N362-W409 WeakPolarHBondContact CA-O 3.4Å; N362-W409 VanDerWaalsContact O-O 3.1Å; N363-W409 PolarHBondContact N-O 2.84Å; G364-W409 PolarHBondContact N-O 2.83Å; Y407-W409 AromaticContact CD1-CH2 3.24Å; Y407-W409 HydrophobicContact CD1-CH2 3.24Å; Y407-W409 AromaticContact CD1-CZ2 3.33Å; Y407-W409 HydrophobicContact CD1-CZ2 3.33Å; Y407-W409 AromaticContact CD1-CZ3 3.88Å; Y407-W409 HydrophobicContact CD1-CZ3 3.88Å; Y407-W409 AromaticContact CE1-CH2 3.79Å; Y407-W409 HydrophobicContact CE1-CH2 3.79Å; Y407-W409 AromaticContact CE1-CZ2 3.91Å; Y407-W409 HydrophobicContact CE1-CZ2 3.91Å; Y407-W409 HydrophobicContact CG-CH2 4.04Å; Y407-W409 AromaticContact CG-CZ2 3.71Å; Y407-W409 HydrophobicContact CG-CZ2 3.71Å; Y407-W409 PolarHBondContact O-N 3.17Å; W409-S411 PolarHBondContact O-N 3.27Å; W409-N446 VanDerWaalsContact CZ2-OD1 3.25Å; W409-N446 WeakPolarHBondContact CZ2-OD1 3.34Å; W409-W737 HydrophobicContact CD2-CH2 4.42Å; W409-W737 HydrophobicContact CD2-CZ3 4.4Å; W409-W737 HydrophobicContact CE3-CE3 4.13Å; W409-W737 AromaticContact CE3-CH2 3.43Å; W409-W737 HydrophobicContact CE3-CH2 3.43Å; W409-W737 VanDerWaalsContact CE3-CH2 3.43Å; W409-W737 HydrophobicContact CE3-CZ2 4.34Å; W409-W737 AromaticContact CE3-CZ3 3.27Å; W409-W737 HydrophobicContact CE3-CZ3 3.27Å; W409-W737 AromaticContact CH2-CH2 3.64Å; W409-W737 HydrophobicContact CH2-CH2 3.64Å; W409-W737 AromaticContact CH2-CZ2 3.9Å; W409-W737 HydrophobicContact CH2-CZ2 3.9Å; W409-W737 HydrophobicContact CH2-CZ3 4.3Å; W409-W737 HydrophobicContact CZ3-CD2 4.44Å; W409-W737 AromaticContact CZ3-CE3 3.94Å; W409-W737 HydrophobicContact CZ3-CE3 3.94Å; W409-W737 AromaticContact CZ3-CH2 2.93Å; W409-W737 HydrophobicContact CZ3-CH2 2.93Å; W409-W737 AromaticContact CZ3-CZ2 3.45Å; W409-W737 HydrophobicContact CZ3-CZ2 3.45Å; W409-W737 VanDerWaalsContact CZ3-CZ2 3.45Å; W409-W737 AromaticContact CZ3-CZ3 3.2Å; W409-W737 HydrophobicContact CZ3-CZ3 3.2Å; W409-W738 AromaticContact CH2-CD1 3.71Å; W409-W738 AromaticContact CH2-NE1 3.14Å; W409-W738 AromaticContact CZ3-CD1 3.23Å; W409-W738 AromaticContact CZ3-NE1 3.16Å |
| 410 | S | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -57.7 | 126 | 171.8 | -173.8 | 0 | 0 | 0 | 0 | 109 | G364 A385 Y407 R412 T448 | G364-S410 WeakPolarHBondContact CA-O 3.49Å; A385-S410 PolarHBondContact N-OG 2.84Å; Y407-S410 WeakPolarHBondContact O-CB 3.23Å; Y407-S410 PolarHBondContact O-N 2.89Å; S410-R412 PolarHBondContact O-NH1 3.07Å; S410-T448 WeakPolarHBondContact OG-CG2 3.27Å |
| 411 | S | 97 | Very high | 93 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -57.6 | 149.2 | 178.4 | -77 | 0 | 0 | 0 | 0 | 111 | A360 G361 N362 N363 T369 W409 | A360-S411 WeakPolarHBondContact O-CB 3.47Å; G361-S411 VanDerWaalsContact C-CB 3.48Å; G361-S411 WeakPolarHBondContact CA-OG 3.32Å; G361-S411 WeakPolarHBondContact O-CB 3.17Å; G361-S411 PolarHBondContact O-N 3.33Å; G361-S411 PolarHBondContact O-OG 2.77Å; N362-S411 PolarHBondContact N-OG 3.46Å; N363-S411 PolarHBondContact N-OG 2.95Å; T369-S411 VanDerWaalsContact O-CB 3.23Å; T369-S411 WeakPolarHBondContact O-CB 3.39Å; T369-S411 PolarHBondContact O-OG 3.24Å; W409-S411 PolarHBondContact O-N 3.27Å | ||
| 412 | R | 97.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 2% | 0.019 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -127.1 | 141.8 | -174.1 | -76.7 | 160.1 | 175.9 | 87.2 | -0.8 | 111.1 | P365 L367 S368 T369 Y407 T408 S410 F495 A496 I659 | P365-R412 WeakPolarHBondContact O-CD 3.49Å; L367-R412 HydrophobicContact CD2-CB 4.12Å; S368-R412 PolarHBondContact N-O 3.04Å; T369-R412 PolarHBondContact N-O 3.28Å; T369-R412 VanDerWaalsContact N-O 3.08Å; T369-R412 PolarHBondContact OG1-N 2.99Å; T369-R412 PolarHBondContact OG1-O 3.47Å; Y407-R412 PolarHBondContact O-NH2 3.14Å; T408-R412 PolarHBondContact O-NH1 3.34Å; S410-R412 PolarHBondContact O-NH1 3.07Å; R412-F495 VanDerWaalsContact CA-O 3.32Å; R412-F495 WeakPolarHBondContact CA-O 3.41Å; R412-F495 HydrophobicContact CB-CB 4.3Å; R412-A496 HydrophobicContact CG-CB 3.8Å; R412-I659 VanDerWaalsContact NH2-CD1 3.31Å |
| 413 | G | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -69.4 | -168.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L367 S368 L420 F495 | L367-G413 WeakPolarHBondContact CA-O 3.48Å; L367-G413 VanDerWaalsContact CB-O 3.26Å; L367-G413 WeakPolarHBondContact CB-O 3.25Å; L367-G413 WeakPolarHBondContact CD2-O 2.94Å; S368-G413 PolarHBondContact N-O 3.09Å; G413-L420 VanDerWaalsContact CA-O 3.31Å; G413-L420 WeakPolarHBondContact CA-O 3.44Å; G413-F495 PolarHBondContact N-O 3.2Å; G413-F495 WeakPolarHBondContact O-CB 3.15Å | ||
| 414 | P | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | cis | -65.4 | 155.2 | -14.6 | 32.6 | -34.6 | 0 | 0 | 0 | 109.7 | S368 A419 F495 Y534 T632 | S368-P414 WeakPolarHBondContact CA-O 3.29Å; S368-P414 WeakPolarHBondContact CB-O 3.37Å; S368-P414 PolarHBondContact N-O 2.82Å; S368-P414 PolarHBondContact OG-O 2.8Å; P414-A419 CarbonylContact C-O 3.56Å; P414-A419 WeakPolarHBondContact CA-O 3.28Å; P414-A419 VanDerWaalsContact CB-O 3.28Å; P414-A419 WeakPolarHBondContact CB-O 3.2Å; P414-F495 HydrophobicContact CB-CD1 4.33Å; P414-F495 HydrophobicContact CB-CE1 4.05Å; P414-F495 VanDerWaalsContact CD-CD1 3.49Å; P414-F495 HydrophobicContact CG-CD1 4.43Å; P414-F495 HydrophobicContact CG-CE1 4.06Å; P414-F495 VanDerWaalsContact N-CD1 3.33Å; P414-Y534 HydrophobicContact CG-CD1 4.13Å; P414-Y534 HydrophobicContact CG-CD2 4.13Å; P414-Y534 HydrophobicContact CG-CE1 3.84Å; P414-Y534 HydrophobicContact CG-CE2 3.84Å; P414-Y534 HydrophobicContact CG-CG 4.26Å; P414-T632 HydrophobicContact CG-CG2 4.13Å | ||
| 415 | S | 96.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | trans | -61.7 | 160.2 | 167.7 | -165.5 | 0 | 0 | 0 | 0 | 110.4 | P336 D417 G418 A419 | P336-S415 WeakPolarHBondContact CG-OG 3.36Å; S415-D417 WeakPolarHBondContact CB-OD1 3.33Å; S415-D417 PolarHBondContact O-N 3.13Å; S415-D417 PolarHBondContact OG-OD1 2.68Å; S415-G418 PolarHBondContact O-N 3.34Å; S415-A419 PolarHBondContact N-O 3.37Å | ||
| 416 | A | 94.8 | Very high | 95.6 | Very high | 59 Ų | 59 | 6.9 Ų | 6.9 | 49% | 0.488 | 5% | 0.048 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P336 | P336-A416 HydrophobicContact CG-CB 4.4Š|
| 417 | D | 95.7 | Very high | 96 | Very high | 10 Ų | 10 | 6.9 Ų | 6.9 | 5% | 0.053 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 17.2 | 175.6 | 70.3 | -12.3 | 0 | 0 | 0 | 113.5 | P336 S415 A419 N530 R531 G532 | P336-D417 HydrophobicContact CB-CB 4.5Å; P336-D417 HydrophobicContact CG-CB 4.28Å; S415-D417 WeakPolarHBondContact CB-OD1 3.33Å; S415-D417 PolarHBondContact O-N 3.13Å; S415-D417 PolarHBondContact OG-OD1 2.68Å; D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 PolarHBondContact O-N 3.36Å; D417-A419 PolarHBondContact OD1-N 2.91Å; D417-N530 HydrophobicContact CB-CB 4.28Å; D417-N530 VanDerWaalsContact O-CB 3.32Å; D417-N530 WeakPolarHBondContact O-CB 3.48Å; D417-R531 PolarHBondContact O-N 2.69Å; D417-R531 IonicContact OD1-CZ 2.7Å; D417-R531 IonicContact OD1-NE 3.93Å; D417-R531 IonicContact OD1-NH2 3.49Å; D417-R531 PolarHBondContact OD1-NH2 3.47Å; D417-R531 IonicContact OD2-CZ 3.47Å; D417-R531 IonicContact OD2-NE 3.79Å; D417-R531 PolarHBondContact OD2-NE 3.42Å; D417-R531 IonicContact OD2-NH2 2.86Å; D417-R531 PolarHBondContact OD2-NH2 3.4Å; D417-R531 VanDerWaalsContact OD2-NH2 3.16Å; D417-G532 PolarHBondContact O-N 3.19Å |
| 418 | G | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | S | Bend | trans | 79.6 | -1.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S415 P630 | S415-G418 PolarHBondContact O-N 3.34Å; G418-P630 WeakPolarHBondContact O-CG 3.46Å |
| 419 | A | 96.8 | Very high | 96.3 | Very high | 11 Ų | 11 | 6.9 Ų | 6.9 | 9% | 0.091 | 5% | 0.048 | C | C | . | . | trans | -59.7 | 150.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P414 S415 D417 G421 R531 | P414-A419 CarbonylContact C-O 3.56Å; P414-A419 WeakPolarHBondContact CA-O 3.28Å; P414-A419 VanDerWaalsContact CB-O 3.28Å; P414-A419 WeakPolarHBondContact CB-O 3.2Å; S415-A419 PolarHBondContact N-O 3.37Å; D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 PolarHBondContact O-N 3.36Å; D417-A419 PolarHBondContact OD1-N 2.91Å; A419-G421 PolarHBondContact O-N 3.09Å; A419-R531 HydrophobicContact CB-CB 3.88Å | ||
| 420 | L | 96.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 5.9 Ų | 5.9 | 8% | 0.079 | 5% | 0.045 | C | C | . | . | trans | -60.9 | -28.2 | 174.4 | -176 | 60.8 | 0 | 0 | 0 | 112.4 | G413 V422 V494 F495 Y610 | G413-L420 VanDerWaalsContact CA-O 3.31Å; G413-L420 WeakPolarHBondContact CA-O 3.44Å; L420-V422 VanDerWaalsContact C-N 3.31Å; L420-V422 PolarHBondContact O-N 2.86Å; L420-V494 HydrophobicContact CD1-CG1 4.32Å; L420-V494 HydrophobicContact CD1-CG2 4.1Å; L420-V494 HydrophobicContact CD2-CG2 4.24Å; L420-F495 HydrophobicContact CD1-CD1 3.77Å; L420-F495 HydrophobicContact CD1-CE1 4.05Å; L420-Y610 HydrophobicContact CD1-CE2 4.04Å | ||
| 421 | G | 95.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 8.1 Ų | 8.1 | 11% | 0.113 | 6% | 0.056 | C | C | . | . | trans | 80.1 | -69 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | G375 A419 | G375-G421 WeakPolarHBondContact CA-O 3.4Å; G375-G421 WeakPolarHBondContact O-CA 3.43Å; A419-G421 PolarHBondContact O-N 3.09Å | ||
| 422 | V | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.006 | 6% | 0.057 | C | C | . | . | trans | -77.1 | 125 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | A360 V370 L420 I424 F495 G498 | A360-V422 HydrophobicContact CB-CG2 3.93Å; V370-V422 HydrophobicContact CG1-CG2 4.12Å; L420-V422 VanDerWaalsContact C-N 3.31Å; L420-V422 PolarHBondContact O-N 2.86Å; V422-I424 VanDerWaalsContact CG1-O 3.3Å; V422-I424 WeakPolarHBondContact CG1-O 3.47Å; V422-F495 WeakPolarHBondContact CG2-O 3.46Å; V422-G498 VanDerWaalsContact O-CA 3.23Å; V422-G498 WeakPolarHBondContact O-CA 3.19Å | ||
| 423 | S | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 8.1 Ų | 8.1 | 4% | 0.035 | 6% | 0.057 | C | C | . | . | trans | -87.9 | -49.7 | 179.7 | -57.4 | 0 | 0 | 0 | 0 | 111 | G382 R479 H499 | G382-S423 PolarHBondContact O-N 3.16Å; S423-R479 PolarHBondContact OG-NH2 2.93Å; S423-H499 PolarHBondContact O-N 2.85Å; S423-H499 PolarHBondContact O-ND1 3.46Å | ||
| 424 | I | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 174.5 | -177.7 | 53.6 | 168.1 | 0 | 0 | 0 | 110.2 | I381 G382 V383 G384 V422 A455 L482 E483 A486 Q497 G500 I502 | I381-I424 HydrophobicContact CG2-CD1 4.02Å; I381-I424 HydrophobicContact CG2-CG1 3.96Å; G382-I424 PolarHBondContact O-N 2.97Å; V383-I424 WeakPolarHBondContact CA-O 3.26Å; V383-I424 HydrophobicContact CG2-CG1 4.35Å; G384-I424 PolarHBondContact N-O 2.84Å; V422-I424 VanDerWaalsContact CG1-O 3.3Å; V422-I424 WeakPolarHBondContact CG1-O 3.47Å; I424-A455 HydrophobicContact CD1-CB 4.36Å; I424-L482 HydrophobicContact CD1-CD1 4.46Å; I424-L482 HydrophobicContact CG2-CB 4.36Å; I424-E483 HydrophobicContact CG2-CG 4.46Å; I424-A486 HydrophobicContact CG2-CB 4.41Å; I424-Q497 CarbonylContact C-O 3.57Å; I424-G500 CarbonylContact C-O 3.58Å; I424-I502 HydrophobicContact CD1-CB 4.17Å; I424-I502 HydrophobicContact CD1-CD1 4.2Å; I424-I502 HydrophobicContact CD1-CG1 4.47Å |
| 425 | S | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.5 | 170.1 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | Q406 Q497 G500 I501 I502 | Q406-S425 PolarHBondContact NE2-OG 3.5Å; S425-Q497 PolarHBondContact N-O 3.07Å; S425-Q497 WeakPolarHBondContact OG-CA 3.31Å; S425-Q497 PolarHBondContact OG-O 2.81Å; S425-G500 PolarHBondContact N-O 2.97Å; S425-I501 WeakPolarHBondContact O-CA 3.5Å; S425-I502 PolarHBondContact O-N 3.11Å |
| 426 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 163.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V383 G384 Y386 G428 S451 N454 A455 I502 | V383-A426 HydrophobicContact CG1-CB 3.91Å; G384-A426 PolarHBondContact O-N 3.44Å; Y386-A426 WeakPolarHBondContact CB-O 3.42Å; Y386-A426 PolarHBondContact N-O 2.86Å; A426-G428 PolarHBondContact O-N 3.23Å; A426-S451 WeakPolarHBondContact CB-O 3.45Å; A426-S451 WeakPolarHBondContact O-CB 3.47Å; A426-N454 HydrophobicContact CB-CB 4.26Å; A426-A455 HydrophobicContact CB-CB 3.92Å; A426-I502 HydrophobicContact CB-CG2 4.12Å |
| 427 | P | 97.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.006 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.7 | 125.6 | 174.9 | -29.1 | 35.6 | 0 | 0 | 0 | 113 | P17 T21 Y386 M391 S451 | P17-P427 HydrophobicContact CB-CB 3.88Å; P17-P427 HydrophobicContact CB-CG 3.92Å; P17-P427 HydrophobicContact CG-CB 3.27Å; P17-P427 HydrophobicContact CG-CG 3.87Å; T21-P427 VanDerWaalsContact CG2-CD 3.46Å; T21-P427 HydrophobicContact CG2-CG 4.06Å; Y386-P427 CarbonylContact O-C 3.45Å; Y386-P427 WeakPolarHBondContact O-CA 3.39Å; M391-P427 HydrophobicContact CE-CB 4.26Å; M391-P427 HydrophobicContact SD-CB 3.91Å; P427-S451 WeakPolarHBondContact O-CA 3.41Å; P427-S451 PolarHBondContact O-N 2.92Å |
| 428 | G | 94.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -102.2 | 16.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y386 Y407 A426 N446 G447 | Y386-G428 PolarHBondContact O-N 3.25Å; Y407-G428 WeakPolarHBondContact CE2-O 3.36Å; A426-G428 PolarHBondContact O-N 3.23Å; G428-N446 CarbonylContact O-C 3.53Å; G428-N446 WeakPolarHBondContact O-CA 3.29Å; G428-G447 PolarHBondContact O-N 2.99Å | ||
| 429 | G | 94.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | M391 E395 | M391-G429 VanDerWaalsContact CE-CA 3.49Å; E395-G429 WeakPolarHBondContact OE2-CA 3.25Å |
| 430 | A | 95.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 149.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L15 H267 I271 E395 L444 M445 | L15-A430 CarbonylContact O-C 3.54Å; L15-A430 WeakPolarHBondContact O-CA 3.32Å; H267-A430 PolarHBondContact CE1-O 2.9Å; H267-A430 PolarHBondContact NE2-O 3.37Å; H267-A430 VanDerWaalsContact NE2-O 3.12Å; I271-A430 HydrophobicContact CD1-CB 3.73Å; I271-A430 HydrophobicContact CG1-CB 3.75Å; E395-A430 WeakPolarHBondContact OE1-CA 3.29Å; E395-A430 PolarHBondContact OE1-N 3.41Å; A430-L444 WeakPolarHBondContact O-CA 3.48Å; A430-M445 PolarHBondContact N-O 3.37Å; A430-M445 PolarHBondContact O-N 3.28Å; A430-M445 VanDerWaalsContact O-N 3.13Å |
| 431 | I | 95.9 | Very high | 96 | Very high | 47 Ų | 47 | 19.7 Ų | 19.7 | 24% | 0.241 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 102.9 | 162.2 | -54.8 | -162.6 | 0 | 0 | 0 | 108.5 | L15 E395 Q443 L444 | L15-I431 HydrophobicContact CB-CB 4.43Å; L15-I431 HydrophobicContact CD2-CB 4.48Å; L15-I431 HydrophobicContact CD2-CD1 3.88Å; L15-I431 HydrophobicContact CD2-CG1 4.24Å; L15-I431 PolarHBondContact O-N 2.69Å; E395-I431 HydrophobicContact CG-CG1 4.44Å; I431-Q443 WeakPolarHBondContact CA-O 3.45Å; I431-L444 HydrophobicContact CD1-CB 4.25Å; I431-L444 HydrophobicContact CG1-CB 3.99Å; I431-L444 HydrophobicContact CG1-CD1 3.95Å |
| 432 | A | 96.6 | Very high | 96 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 170.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H267 I271 T442 Q443 | H267-A432 PolarHBondContact CD2-O 2.88Å; H267-A432 PolarHBondContact NE2-N 3.16Å; I271-A432 HydrophobicContact CG1-CB 3.88Å; A432-T442 CarbonylContact O-C 3.59Å; A432-T442 WeakPolarHBondContact O-CA 3.4Å; A432-T442 WeakPolarHBondContact O-CB 3.33Å; A432-Q443 PolarHBondContact N-O 3.13Å; A432-Q443 PolarHBondContact O-N 3.1Å |
| 433 | S | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 147.1 | -176.1 | -70.3 | 0 | 0 | 0 | 0 | 112.9 | P52 T266 H267 S270 F276 G441 | P52-S433 WeakPolarHBondContact O-CB 3.42Å; P52-S433 PolarHBondContact O-OG 3.39Å; T266-S433 CarbonylContact C-O 3.52Å; H267-S433 WeakPolarHBondContact CA-O 3.42Å; H267-S433 PolarHBondContact N-O 2.93Å; S270-S433 PolarHBondContact OG-N 3.45Å; F276-S433 WeakPolarHBondContact CZ-OG 3.26Å; S433-G441 WeakPolarHBondContact CA-O 3.36Å |
| 434 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -129.2 | 163.9 | 174.1 | -71.6 | 0 | 0 | 0 | 0 | 109.8 | A263 H267 T438 R440 Q443 M445 | A263-V434 HydrophobicContact CB-CB 4.45Å; A263-V434 HydrophobicContact CB-CG1 4.3Å; H267-V434 HydrophobicContact CB-CG1 4.31Å; V434-T438 HydrophobicContact CB-CG2 4.43Å; V434-T438 WeakPolarHBondContact CG2-OG1 3.44Å; V434-R440 HydrophobicContact CG2-CB 3.97Å; V434-R440 WeakPolarHBondContact CG2-O 3.37Å; V434-Q443 HydrophobicContact CG1-CB 3.59Å; V434-Q443 HydrophobicContact CG2-CB 4.27Å; V434-M445 HydrophobicContact CG1-CE 4.07Å | ||
| 435 | P | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -60.4 | 152.1 | -179.3 | -26.3 | 36.6 | 0 | 0 | 0 | 113.8 | D48 T266 W437 T438 | D48-P435 HydrophobicContact CB-CB 3.79Å; D48-P435 HydrophobicContact CB-CG 4.02Å; D48-P435 WeakPolarHBondContact OD2-CA 3.36Å; D48-P435 WeakPolarHBondContact OD2-CB 3.19Å; T266-P435 WeakPolarHBondContact OG1-CG 3.37Å; P435-W437 VanDerWaalsContact C-N 3.29Å; P435-W437 HydrophobicContact CB-CG 4.21Å; P435-W437 PolarHBondContact O-N 2.99Å; P435-T438 HydrophobicContact CB-CG2 4.36Å; P435-T438 WeakPolarHBondContact O-CB 3.49Å; P435-T438 WeakPolarHBondContact O-CG2 3.24Å; P435-T438 PolarHBondContact O-N 3.16Å; P435-T438 PolarHBondContact O-OG1 3.49Å | ||
| 436 | N | 95.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 30.6 Ų | 30.6 | 23% | 0.225 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -64.8 | -31.9 | -176.3 | -69.6 | -18.4 | 0 | 0 | 0 | 113.1 | D48 G50 M241 T438 L439 | D48-N436 PolarHBondContact OD2-N 3.37Å; G50-N436 PolarHBondContact O-ND2 3.4Å; M241-N436 HydrophobicContact CB-CB 4.46Å; M241-N436 HydrophobicContact CE-CB 4.35Å; N436-T438 PolarHBondContact O-N 3.17Å; N436-L439 PolarHBondContact O-N 2.96Å |
| 437 | W | 95.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -60.1 | -20 | 176.2 | 66.6 | -100.1 | 0 | 0 | 0 | 112.9 | P122 A124 L125 R128 E240 M241 L242 S260 A263 P435 L439 | P122-W437 HydrophobicContact CB-CH2 3.67Å; P122-W437 HydrophobicContact CB-CZ2 3.7Å; P122-W437 HydrophobicContact CB-CZ3 4.11Å; P122-W437 HydrophobicContact CG-CD2 4.26Å; P122-W437 HydrophobicContact CG-CH2 4.17Å; P122-W437 HydrophobicContact CG-CZ2 3.68Å; A124-W437 HydrophobicContact CB-CZ3 4.12Å; L125-W437 HydrophobicContact CB-CD2 4.46Å; L125-W437 HydrophobicContact CB-CE3 3.87Å; L125-W437 HydrophobicContact CB-CZ3 4.32Å; L125-W437 HydrophobicContact CD1-CB 4.47Å; L125-W437 HydrophobicContact CD2-CB 4.23Å; R128-W437 PolarHBondContact NH1-O 2.91Å; R128-W437 PolarHBondContact NH2-O 2.99Å; E240-W437 WeakPolarHBondContact O-CA 3.49Å; E240-W437 VanDerWaalsContact O-CB 3.24Å; E240-W437 WeakPolarHBondContact O-CB 3.47Å; M241-W437 WeakPolarHBondContact O-CA 3.37Å; M241-W437 WeakPolarHBondContact O-CB 3.45Å; M241-W437 PolarHBondContact O-N 3.29Å; M241-W437 VanDerWaalsContact O-N 3.08Å; L242-W437 HydrophobicContact CB-CB 4.37Å; L242-W437 HydrophobicContact CD1-CB 4.4Å; L242-W437 VanDerWaalsContact CD1-CD1 3.43Å; L242-W437 HydrophobicContact CD1-CG 4.02Å; S260-W437 PolarHBondContact OG-NE1 3.44Å; A263-W437 HydrophobicContact CB-CZ2 4.37Å; P435-W437 VanDerWaalsContact C-N 3.29Å; P435-W437 HydrophobicContact CB-CG 4.21Å; P435-W437 PolarHBondContact O-N 2.99Å; W437-L439 PolarHBondContact O-N 3.31Å |
| 438 | T | 96.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -73.5 | -9.9 | 175.2 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | A263 V434 P435 N436 R440 | A263-T438 HydrophobicContact CB-CG2 3.88Å; V434-T438 HydrophobicContact CB-CG2 4.43Å; V434-T438 WeakPolarHBondContact CG2-OG1 3.44Å; P435-T438 HydrophobicContact CB-CG2 4.36Å; P435-T438 WeakPolarHBondContact O-CB 3.49Å; P435-T438 WeakPolarHBondContact O-CG2 3.24Å; P435-T438 PolarHBondContact O-N 3.16Å; P435-T438 PolarHBondContact O-OG1 3.49Å; N436-T438 PolarHBondContact O-N 3.17Å; T438-R440 PolarHBondContact O-N 3.36Å; T438-R440 PolarHBondContact OG1-N 3.33Å |
| 439 | L | 94.6 | Very high | 94.8 | Very high | 110 Ų | 110 | 31.3 Ų | 31.3 | 58% | 0.576 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 28.8 | -173.9 | -52.2 | 176.9 | 0 | 0 | 0 | 113.4 | R128 M241 N436 W437 | R128-L439 VanDerWaalsContact NH1-CD1 3.33Å; R128-L439 VanDerWaalsContact NH1-CG 3.34Å; M241-L439 HydrophobicContact SD-CD2 3.68Å; N436-L439 PolarHBondContact O-N 2.96Å; W437-L439 PolarHBondContact O-N 3.31Å |
| 440 | R | 93.6 | Very high | 95 | Very high | 115 Ų | 115 | 31.3 Ų | 31.3 | 43% | 0.434 | 17% | 0.169 | S | C | . | . | trans | -132.7 | 142.6 | 177.4 | -66.6 | 175.7 | -71 | 177.7 | 7.7 | 109.1 | V434 T438 | V434-R440 HydrophobicContact CG2-CB 3.97Å; V434-R440 WeakPolarHBondContact CG2-O 3.37Å; T438-R440 PolarHBondContact O-N 3.36Å; T438-R440 PolarHBondContact OG1-N 3.33Å | ||
| 441 | G | 90.4 | Very high | 95.1 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 43% | 0.433 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -79.8 | -34.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S433 | S433-G441 WeakPolarHBondContact CA-O 3.36Š|
| 442 | T | 94.9 | Very high | 95.2 | Very high | 54 Ų | 54 | 29 Ų | 29 | 33% | 0.331 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 162.8 | 178 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | A432 | A432-T442 CarbonylContact O-C 3.59Å; A432-T442 WeakPolarHBondContact O-CA 3.4Å; A432-T442 WeakPolarHBondContact O-CB 3.33Å |
| 443 | Q | 95.9 | Very high | 95.3 | Very high | 51 Ų | 51 | 28.9 Ų | 28.9 | 24% | 0.238 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 143.8 | 176 | -174.5 | 177.4 | -16.7 | 0 | 0 | 110.9 | H267 I431 A432 V434 M445 | H267-Q443 PolarHBondContact CD2-O 3.43Å; H267-Q443 VanDerWaalsContact CD2-O 3.26Å; H267-Q443 PolarHBondContact NE2-O 3.15Å; I431-Q443 WeakPolarHBondContact CA-O 3.45Å; A432-Q443 PolarHBondContact N-O 3.13Å; A432-Q443 PolarHBondContact O-N 3.1Å; V434-Q443 HydrophobicContact CG1-CB 3.59Å; V434-Q443 HydrophobicContact CG2-CB 4.27Å; Q443-M445 HydrophobicContact CB-CE 4.47Å; Q443-M445 HydrophobicContact CG-CE 4.27Å; Q443-M445 HydrophobicContact CG-CG 4.33Å |
| 444 | L | 96 | Very high | 95.3 | Very high | 55 Ų | 55 | 29 Ų | 29 | 29% | 0.288 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 123.3 | 164.8 | 176.1 | 59.9 | 0 | 0 | 0 | 110.2 | E395 Y396 A430 I431 | E395-L444 HydrophobicContact CB-CD1 3.81Å; E395-L444 HydrophobicContact CB-CD2 4.48Å; E395-L444 HydrophobicContact CG-CD1 4.29Å; E395-L444 VanDerWaalsContact O-CD2 3.29Å; E395-L444 WeakPolarHBondContact O-CD2 3.44Å; Y396-L444 HydrophobicContact CD1-CD2 4.23Å; Y396-L444 HydrophobicContact CE1-CD2 4.15Å; A430-L444 WeakPolarHBondContact O-CA 3.48Å; I431-L444 HydrophobicContact CD1-CB 4.25Å; I431-L444 HydrophobicContact CG1-CB 3.99Å; I431-L444 HydrophobicContact CG1-CD1 3.95Å |
| 445 | M | 95.7 | Very high | 95.4 | Very high | 28 Ų | 28 | 29 Ų | 29 | 14% | 0.138 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.7 | 167.3 | -58.9 | -173.3 | -178.4 | 0 | 0 | 109.7 | A263 H267 A430 V434 Q443 M450 | A263-M445 HydrophobicContact CB-CE 3.98Å; H267-M445 HydrophobicContact CB-CE 4.37Å; H267-M445 HydrophobicContact CB-SD 3.99Å; A430-M445 PolarHBondContact N-O 3.37Å; A430-M445 PolarHBondContact O-N 3.28Å; A430-M445 VanDerWaalsContact O-N 3.13Å; V434-M445 HydrophobicContact CG1-CE 4.07Å; Q443-M445 HydrophobicContact CB-CE 4.47Å; Q443-M445 HydrophobicContact CG-CE 4.27Å; Q443-M445 HydrophobicContact CG-CG 4.33Å; M445-M450 HydrophobicContact CB-CE 3.92Å; M445-M450 HydrophobicContact CB-CG 4.29Å; M445-M450 HydrophobicContact CB-SD 3.62Å; M445-M450 HydrophobicContact SD-CE 4.23Å |
| 446 | N | 92.8 | Very high | 95.4 | Very high | 59 Ų | 59 | 29 Ų | 29 | 32% | 0.316 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 161.6 | -179.7 | 60.6 | 65.9 | 0 | 0 | 0 | 113.1 | Y396 W409 G428 | Y396-N446 WeakPolarHBondContact OH-CB 3.33Å; Y396-N446 VanDerWaalsContact OH-CG 3.3Å; Y396-N446 PolarHBondContact OH-ND2 3.36Å; Y396-N446 VanDerWaalsContact OH-ND2 3.13Å; W409-N446 VanDerWaalsContact CZ2-OD1 3.25Å; W409-N446 WeakPolarHBondContact CZ2-OD1 3.34Å; G428-N446 CarbonylContact O-C 3.53Å; G428-N446 WeakPolarHBondContact O-CA 3.29Å |
| 447 | G | 91.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 123 | -178.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | G428 S449 M450 S451 | G428-G447 PolarHBondContact O-N 2.99Å; G447-S449 PolarHBondContact O-N 2.71Å; G447-S449 VanDerWaalsContact O-N 3.14Å; G447-M450 PolarHBondContact O-N 3.42Å; G447-S451 PolarHBondContact O-N 3.15Å |
| 448 | T | 91.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -19.9 | 177.5 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | S359 A360 G361 N362 A385 S410 M450 S451 S452 | S359-T448 VanDerWaalsContact CB-C 3.46Å; S359-T448 VanDerWaalsContact CB-O 3.28Å; S359-T448 WeakPolarHBondContact CB-O 3.46Å; S359-T448 WeakPolarHBondContact CB-OG1 3.42Å; A360-T448 HydrophobicContact CB-CG2 4.29Å; G361-T448 VanDerWaalsContact C-OG1 3.32Å; G361-T448 PolarHBondContact N-OG1 3.04Å; G361-T448 WeakPolarHBondContact O-CG2 3.34Å; G361-T448 PolarHBondContact O-OG1 2.86Å; G361-T448 VanDerWaalsContact O-OG1 3.11Å; N362-T448 PolarHBondContact OD1-N 3.43Å; N362-T448 PolarHBondContact OD1-OG1 3.17Å; A385-T448 HydrophobicContact CB-CG2 3.64Å; S410-T448 WeakPolarHBondContact OG-CG2 3.27Å; T448-M450 PolarHBondContact O-N 3.45Å; T448-S451 VanDerWaalsContact CA-OG 3.31Å; T448-S451 WeakPolarHBondContact CA-OG 3.23Å; T448-S451 PolarHBondContact O-N 3.33Å; T448-S451 PolarHBondContact O-OG 3.28Å; T448-S452 PolarHBondContact O-N 3.16Å |
| 449 | S | 92.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 25.4 Ų | 25.4 | 11% | 0.105 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -23.3 | 173.7 | -58.2 | 0 | 0 | 0 | 0 | 114.4 | H264 S328 G447 P453 | H264-S449 WeakPolarHBondContact NE2-CB 3.34Å; S328-S449 PolarHBondContact O-OG 2.67Å; S328-S449 PolarHBondContact OG-O 3.34Å; G447-S449 PolarHBondContact O-N 2.71Å; G447-S449 VanDerWaalsContact O-N 3.14Å; S449-P453 WeakPolarHBondContact O-CD 3.5Å; S449-P453 VanDerWaalsContact O-CG 3.31Å; S449-P453 WeakPolarHBondContact O-CG 3.12Å |
| 450 | M | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -95.1 | -26.1 | 174.3 | -75.6 | 67.1 | -116.7 | 0 | 0 | 111.7 | V268 I271 M445 G447 T448 P453 N454 | V268-M450 HydrophobicContact CG2-CE 4.02Å; I271-M450 HydrophobicContact CD1-CB 3.93Å; I271-M450 HydrophobicContact CD1-CG 3.63Å; M445-M450 HydrophobicContact CB-CE 3.92Å; M445-M450 HydrophobicContact CB-CG 4.29Å; M445-M450 HydrophobicContact CB-SD 3.62Å; M445-M450 HydrophobicContact SD-CE 4.23Å; G447-M450 PolarHBondContact O-N 3.42Å; T448-M450 PolarHBondContact O-N 3.45Å; M450-P453 WeakPolarHBondContact O-CD 3.37Å; M450-P453 WeakPolarHBondContact O-CG 3.2Å; M450-N454 WeakPolarHBondContact O-CB 3.05Å; M450-N454 PolarHBondContact O-N 3.41Å |
| 451 | S | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -72.8 | -37.6 | 175.2 | 67.5 | 0 | 0 | 0 | 0 | 112.9 | V383 G384 A426 P427 G447 T448 N454 A455 | V383-S451 PolarHBondContact O-OG 3.11Å; G384-S451 VanDerWaalsContact O-CB 3.23Å; G384-S451 WeakPolarHBondContact O-CB 3.32Å; G384-S451 PolarHBondContact O-OG 2.92Å; G384-S451 VanDerWaalsContact O-OG 3.04Å; A426-S451 WeakPolarHBondContact CB-O 3.45Å; A426-S451 WeakPolarHBondContact O-CB 3.47Å; P427-S451 WeakPolarHBondContact O-CA 3.41Å; P427-S451 PolarHBondContact O-N 2.92Å; G447-S451 PolarHBondContact O-N 3.15Å; T448-S451 VanDerWaalsContact CA-OG 3.31Å; T448-S451 WeakPolarHBondContact CA-OG 3.23Å; T448-S451 PolarHBondContact O-N 3.33Å; T448-S451 PolarHBondContact O-OG 3.28Å; S451-N454 PolarHBondContact O-N 3.24Å; S451-A455 WeakPolarHBondContact O-CB 3.4Å; S451-A455 PolarHBondContact O-N 3.25Å |
| 452 | S | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -54.5 | -54.1 | 174.1 | -174.2 | 0 | 0 | 0 | 0 | 113.3 | N326 V357 S359 T448 N454 A455 C456 | N326-S452 WeakPolarHBondContact OD1-CB 3.44Å; N326-S452 PolarHBondContact OD1-O 3.21Å; N326-S452 PolarHBondContact OD1-OG 2.68Å; V357-S452 PolarHBondContact O-OG 2.88Å; S359-S452 PolarHBondContact N-OG 2.98Å; T448-S452 PolarHBondContact O-N 3.16Å; S452-N454 VanDerWaalsContact C-N 3.32Å; S452-N454 PolarHBondContact O-N 3.26Å; S452-A455 PolarHBondContact O-N 3.39Å; S452-C456 VanDerWaalsContact O-CB 3.3Å; S452-C456 WeakPolarHBondContact O-CB 3.26Å; S452-C456 PolarHBondContact O-N 2.99Å |
| 453 | P | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -69.5 | -29.1 | 179.9 | 24.5 | -34.1 | 0 | 0 | 0 | 112.9 | V268 I271 A272 N326 S449 M450 C456 G457 | V268-P453 HydrophobicContact CB-CG 4.37Å; V268-P453 HydrophobicContact CG1-CB 3.85Å; V268-P453 HydrophobicContact CG1-CG 3.96Å; V268-P453 HydrophobicContact CG2-CG 4.37Å; V268-P453 VanDerWaalsContact O-CB 3.32Å; V268-P453 WeakPolarHBondContact O-CB 3.39Å; I271-P453 HydrophobicContact CB-CB 4.1Å; I271-P453 HydrophobicContact CB-CG 4.11Å; I271-P453 HydrophobicContact CD1-CG 4.06Å; I271-P453 HydrophobicContact CG2-CB 4.04Å; I271-P453 HydrophobicContact CG2-CG 4.03Å; A272-P453 HydrophobicContact CB-CB 4.01Å; N326-P453 VanDerWaalsContact OD1-CA 3.24Å; N326-P453 WeakPolarHBondContact OD1-CA 3.35Å; N326-P453 WeakPolarHBondContact OD1-CD 3.27Å; S449-P453 WeakPolarHBondContact O-CD 3.5Å; S449-P453 VanDerWaalsContact O-CG 3.31Å; S449-P453 WeakPolarHBondContact O-CG 3.12Å; M450-P453 WeakPolarHBondContact O-CD 3.37Å; M450-P453 WeakPolarHBondContact O-CG 3.2Å; P453-C456 PolarHBondContact O-N 3.06Å; P453-G457 PolarHBondContact O-N 3.49Å |
| 454 | N | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 7.9 Ų | 7.9 | 2% | 0.016 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.7 | -48.4 | 173.1 | -170.8 | -73.7 | 0 | 0 | 0 | 111 | P17 T21 I271 A426 M450 S451 S452 G457 G458 | P17-N454 PolarHBondContact O-ND2 2.92Å; T21-N454 WeakPolarHBondContact CG2-OD1 3.48Å; I271-N454 HydrophobicContact CG2-CB 4.06Å; A426-N454 HydrophobicContact CB-CB 4.26Å; M450-N454 WeakPolarHBondContact O-CB 3.05Å; M450-N454 PolarHBondContact O-N 3.41Å; S451-N454 PolarHBondContact O-N 3.24Å; S452-N454 VanDerWaalsContact C-N 3.32Å; S452-N454 PolarHBondContact O-N 3.26Å; N454-G457 PolarHBondContact O-N 3.06Å; N454-G458 PolarHBondContact O-N 3.29Å |
| 455 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | V357 V383 I424 A426 S451 S452 G457 G458 I459 I502 | V357-A455 HydrophobicContact CG1-CB 4.32Å; V383-A455 HydrophobicContact CG1-CB 4Å; V383-A455 HydrophobicContact CG2-CB 3.96Å; I424-A455 HydrophobicContact CD1-CB 4.36Å; A426-A455 HydrophobicContact CB-CB 3.92Å; S451-A455 WeakPolarHBondContact O-CB 3.4Å; S451-A455 PolarHBondContact O-N 3.25Å; S452-A455 PolarHBondContact O-N 3.39Å; A455-G457 PolarHBondContact O-N 2.91Å; A455-G458 PolarHBondContact O-N 3.34Å; A455-G458 VanDerWaalsContact O-N 3.14Å; A455-I459 VanDerWaalsContact O-CG1 3.29Å; A455-I459 WeakPolarHBondContact O-CG1 3.5Å; A455-I459 PolarHBondContact O-N 3.41Å; A455-I502 HydrophobicContact CB-CD1 4.5Å |
| 456 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 179.1 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | N326 V357 S452 P453 G458 I459 A460 | N326-C456 HydrophobicContact CB-CB 4.15Å; V357-C456 HydrophobicContact CB-CB 4.26Å; V357-C456 HydrophobicContact CG1-CB 4.36Å; V357-C456 HydrophobicContact CG2-CB 4.32Å; S452-C456 VanDerWaalsContact O-CB 3.3Å; S452-C456 WeakPolarHBondContact O-CB 3.26Å; S452-C456 PolarHBondContact O-N 2.99Å; P453-C456 PolarHBondContact O-N 3.06Å; C456-G458 PolarHBondContact O-N 3.03Å; C456-I459 PolarHBondContact O-N 2.79Å; C456-A460 PolarHBondContact O-N 2.87Å |
| 457 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A286 P453 N454 A455 I459 A460 L461 | A286-G457 WeakPolarHBondContact CB-O 3.48Å; P453-G457 PolarHBondContact O-N 3.49Å; N454-G457 PolarHBondContact O-N 3.06Å; A455-G457 PolarHBondContact O-N 2.91Å; G457-I459 VanDerWaalsContact C-N 3.33Å; G457-I459 PolarHBondContact O-N 2.85Å; G457-A460 WeakPolarHBondContact O-CB 3.21Å; G457-A460 PolarHBondContact O-N 3.4Å; G457-A460 VanDerWaalsContact O-N 3.14Å; G457-L461 WeakPolarHBondContact O-CG 3.26Å; G457-L461 PolarHBondContact O-N 2.97Å; G457-L461 VanDerWaalsContact O-N 3.09Å |
| 458 | G | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | N454 A455 C456 L461 V462 | N454-G458 PolarHBondContact O-N 3.29Å; A455-G458 PolarHBondContact O-N 3.34Å; A455-G458 VanDerWaalsContact O-N 3.14Å; C456-G458 PolarHBondContact O-N 3.03Å; G458-L461 WeakPolarHBondContact O-CB 2.99Å; G458-L461 PolarHBondContact O-N 3.4Å; G458-V462 PolarHBondContact O-N 2.87Å |
| 459 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 174.7 | -63.4 | 162 | 0 | 0 | 0 | 110.4 | L324 I355 V357 A455 C456 G457 L461 V462 L463 V478 L482 I502 | L324-I459 HydrophobicContact CD1-CB 4.4Å; L324-I459 HydrophobicContact CD1-CG2 4.16Å; L324-I459 HydrophobicContact CD2-CB 4.13Å; L324-I459 HydrophobicContact CD2-CG2 3.58Å; L324-I459 HydrophobicContact CG-CG2 4.43Å; I355-I459 HydrophobicContact CD1-CG2 4.2Å; V357-I459 HydrophobicContact CG2-CD1 3.68Å; A455-I459 VanDerWaalsContact O-CG1 3.29Å; A455-I459 WeakPolarHBondContact O-CG1 3.5Å; A455-I459 PolarHBondContact O-N 3.41Å; C456-I459 PolarHBondContact O-N 2.79Å; G457-I459 VanDerWaalsContact C-N 3.33Å; G457-I459 PolarHBondContact O-N 2.85Å; I459-L461 VanDerWaalsContact C-N 3.27Å; I459-L461 PolarHBondContact O-N 2.77Å; I459-V462 WeakPolarHBondContact O-CB 3.39Å; I459-V462 PolarHBondContact O-N 3.3Å; I459-V462 VanDerWaalsContact O-N 3.08Å; I459-L463 HydrophobicContact CG2-CD1 4.35Å; I459-L463 HydrophobicContact CG2-CG 4.14Å; I459-L463 WeakPolarHBondContact O-CG 3.36Å; I459-L463 PolarHBondContact O-N 2.87Å; I459-V478 HydrophobicContact CG2-CG1 4.05Å; I459-L482 HydrophobicContact CD1-CD1 3.66Å; I459-L482 HydrophobicContact CG1-CD1 3.81Å; I459-L482 HydrophobicContact CG1-CD2 4.1Å; I459-I502 HydrophobicContact CG1-CD1 4.11Å |
| 460 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60 | -35.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V38 I40 A286 A289 L324 C456 G457 L463 S464 | V38-A460 HydrophobicContact CB-CB 4.4Å; V38-A460 HydrophobicContact CG1-CB 3.93Å; I40-A460 HydrophobicContact CD1-CB 3.9Å; I40-A460 HydrophobicContact CG1-CB 4.42Å; A286-A460 HydrophobicContact CB-CB 3.78Å; A289-A460 HydrophobicContact CB-CB 4.45Å; L324-A460 HydrophobicContact CD1-CB 3.69Å; C456-A460 PolarHBondContact O-N 2.87Å; G457-A460 WeakPolarHBondContact O-CB 3.21Å; G457-A460 PolarHBondContact O-N 3.4Å; G457-A460 VanDerWaalsContact O-N 3.14Å; A460-L463 PolarHBondContact O-N 2.93Å; A460-S464 VanDerWaalsContact O-CB 3.28Å; A460-S464 WeakPolarHBondContact O-CB 3.27Å; A460-S464 PolarHBondContact O-N 3.04Å |
| 461 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 171.8 | -60.6 | -179.8 | 0 | 0 | 0 | 111.7 | A23 F26 L27 Y33 D34 V285 A286 G457 G458 I459 S464 G465 V504 | A23-L461 HydrophobicContact CB-CD1 3.79Å; F26-L461 HydrophobicContact CD1-CB 3.97Å; F26-L461 HydrophobicContact CD1-CD1 4.35Å; F26-L461 HydrophobicContact CE1-CB 3.87Å; L27-L461 HydrophobicContact CD1-CD1 4.28Å; L27-L461 HydrophobicContact CD2-CD1 4.41Å; L27-L461 HydrophobicContact CD2-CD2 3.71Å; L27-L461 HydrophobicContact CG-CD1 4.12Å; L27-L461 HydrophobicContact CG-CD2 4.3Å; Y33-L461 VanDerWaalsContact O-CD2 3.28Å; Y33-L461 WeakPolarHBondContact O-CD2 3.35Å; D34-L461 VanDerWaalsContact C-CD2 3.46Å; V285-L461 HydrophobicContact CG1-CD1 3.98Å; A286-L461 HydrophobicContact CB-CD2 3.83Å; A286-L461 HydrophobicContact CB-CG 4.22Å; G457-L461 WeakPolarHBondContact O-CG 3.26Å; G457-L461 PolarHBondContact O-N 2.97Å; G457-L461 VanDerWaalsContact O-N 3.09Å; G458-L461 WeakPolarHBondContact O-CB 2.99Å; G458-L461 PolarHBondContact O-N 3.4Å; I459-L461 VanDerWaalsContact C-N 3.27Å; I459-L461 PolarHBondContact O-N 2.77Å; L461-S464 PolarHBondContact O-N 3.35Å; L461-G465 PolarHBondContact O-N 3.43Å; L461-G465 VanDerWaalsContact O-N 3.07Å; L461-V504 HydrophobicContact CB-CG1 3.94Å; L461-V504 HydrophobicContact CD1-CG1 4.14Å |
| 462 | V | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 176.8 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | G458 I459 S464 G465 L466 V504 A507 Y508 L511 | G458-V462 PolarHBondContact O-N 2.87Å; I459-V462 WeakPolarHBondContact O-CB 3.39Å; I459-V462 PolarHBondContact O-N 3.3Å; I459-V462 VanDerWaalsContact O-N 3.08Å; V462-S464 VanDerWaalsContact C-N 3.34Å; V462-S464 PolarHBondContact O-N 3.42Å; V462-G465 PolarHBondContact O-N 3.41Å; V462-L466 HydrophobicContact CG1-CD1 3.94Å; V462-L466 HydrophobicContact CG1-CG 4.37Å; V462-L466 WeakPolarHBondContact O-CG 3.32Å; V462-L466 PolarHBondContact O-N 2.86Å; V462-V504 HydrophobicContact CG2-CG1 3.91Å; V462-A507 HydrophobicContact CG2-CB 4.46Å; V462-Y508 HydrophobicContact CG1-CD2 4.43Å; V462-L511 HydrophobicContact CG1-CD1 3.66Å |
| 463 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | -179.7 | -63.3 | -171.6 | 0 | 0 | 0 | 112.2 | V38 D323 L324 I355 I459 A460 G465 L466 K467 Y473 V478 | V38-L463 HydrophobicContact CG1-CD1 4.27Å; V38-L463 HydrophobicContact CG2-CB 3.82Å; D323-L463 HydrophobicContact CB-CD1 4.01Å; L324-L463 HydrophobicContact CD1-CD1 3.81Å; L324-L463 HydrophobicContact CD2-CD1 4.34Å; L324-L463 HydrophobicContact CG-CD1 3.84Å; I355-L463 HydrophobicContact CD1-CD1 4.1Å; I355-L463 HydrophobicContact CD1-CD2 4.04Å; I459-L463 HydrophobicContact CG2-CD1 4.35Å; I459-L463 HydrophobicContact CG2-CG 4.14Å; I459-L463 WeakPolarHBondContact O-CG 3.36Å; I459-L463 PolarHBondContact O-N 2.87Å; A460-L463 PolarHBondContact O-N 2.93Å; L463-G465 VanDerWaalsContact C-N 3.32Å; L463-G465 PolarHBondContact O-N 2.69Å; L463-L466 HydrophobicContact CD2-CD1 4.34Å; L463-L466 PolarHBondContact O-N 3.21Å; L463-K467 WeakPolarHBondContact O-CB 3.3Å; L463-K467 VanDerWaalsContact O-CG 3.32Å; L463-K467 WeakPolarHBondContact O-CG 3.35Å; L463-K467 PolarHBondContact O-N 3.28Å; L463-Y473 HydrophobicContact CD1-CE2 4.48Å; L463-Y473 HydrophobicContact CD2-CD1 4.32Å; L463-Y473 HydrophobicContact CD2-CD2 3.85Å; L463-Y473 HydrophobicContact CD2-CE1 4.06Å; L463-Y473 HydrophobicContact CD2-CE2 3.57Å; L463-Y473 HydrophobicContact CD2-CG 4.22Å; L463-V478 HydrophobicContact CD2-CG2 4.06Å |
| 464 | S | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 176 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | G35 R36 A460 L461 V462 K467 A468 | G35-S464 PolarHBondContact N-OG 3.14Å; R36-S464 PolarHBondContact N-OG 3.06Å; R36-S464 PolarHBondContact O-OG 3.38Å; A460-S464 VanDerWaalsContact O-CB 3.28Å; A460-S464 WeakPolarHBondContact O-CB 3.27Å; A460-S464 PolarHBondContact O-N 3.04Å; L461-S464 PolarHBondContact O-N 3.35Å; V462-S464 VanDerWaalsContact C-N 3.34Å; V462-S464 PolarHBondContact O-N 3.42Å; S464-K467 PolarHBondContact O-N 2.92Å; S464-A468 VanDerWaalsContact O-CB 3.31Å; S464-A468 WeakPolarHBondContact O-CB 3.28Å; S464-A468 PolarHBondContact O-N 3.24Å |
| 465 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y33 L461 V462 L463 A468 N469 | Y33-G465 VanDerWaalsContact CD2-CA 3.44Å; Y33-G465 VanDerWaalsContact CG-CA 3.47Å; L461-G465 PolarHBondContact O-N 3.43Å; L461-G465 VanDerWaalsContact O-N 3.07Å; V462-G465 PolarHBondContact O-N 3.41Å; L463-G465 VanDerWaalsContact C-N 3.32Å; L463-G465 PolarHBondContact O-N 2.69Å; G465-A468 PolarHBondContact O-N 3Å; G465-N469 PolarHBondContact O-N 3.29Å; G465-N469 VanDerWaalsContact O-N 3.13Å; G465-N469 PolarHBondContact O-ND2 2.7Å |
| 466 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 178.7 | -66.4 | 170.3 | 0 | 0 | 0 | 111.7 | V462 L463 N469 N470 V471 Y473 Y508 L511 I512 | V462-L466 HydrophobicContact CG1-CD1 3.94Å; V462-L466 HydrophobicContact CG1-CG 4.37Å; V462-L466 WeakPolarHBondContact O-CG 3.32Å; V462-L466 PolarHBondContact O-N 2.86Å; L463-L466 HydrophobicContact CD2-CD1 4.34Å; L463-L466 PolarHBondContact O-N 3.21Å; L466-N469 CarbonylContact O-C 3.57Å; L466-N469 PolarHBondContact O-N 2.9Å; L466-N470 PolarHBondContact O-N 3.27Å; L466-V471 HydrophobicContact CB-CB 4.43Å; L466-V471 HydrophobicContact CD2-CB 3.92Å; L466-V471 HydrophobicContact CD2-CG1 3.88Å; L466-V471 PolarHBondContact O-N 3.43Å; L466-Y473 HydrophobicContact CB-CD1 4.08Å; L466-Y473 HydrophobicContact CD1-CD1 3.96Å; L466-Y473 HydrophobicContact CD1-CG 4.14Å; L466-Y508 HydrophobicContact CD2-CD2 4.26Å; L466-Y508 HydrophobicContact CD2-CE2 4.14Å; L466-Y508 HydrophobicContact CG-CD2 4.36Å; L466-Y508 HydrophobicContact CG-CE2 4.37Å; L466-L511 HydrophobicContact CD1-CB 4.43Å; L466-L511 HydrophobicContact CD1-CD1 3.75Å; L466-L511 HydrophobicContact CD2-CB 3.95Å; L466-I512 HydrophobicContact CD2-CD1 3.94Å |
| 467 | K | 97.3 | Very high | 97 | Very high | 78 Ų | 78 | 29.6 Ų | 29.6 | 34% | 0.339 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.3 | -72.5 | -179.5 | 177.7 | -167.5 | 0 | 111.7 | G37 D323 L463 S464 N469 N470 Y473 | G37-K467 WeakPolarHBondContact O-CD 3.23Å; G37-K467 PolarHBondContact O-NZ 2.94Å; D323-K467 WeakPolarHBondContact OD1-CE 3.34Å; D323-K467 IonicContact OD1-NZ 3.71Å; D323-K467 PolarHBondContact OD1-NZ 3.03Å; D323-K467 IonicContact OD2-NZ 3.62Å; D323-K467 PolarHBondContact OD2-NZ 2.97Å; L463-K467 WeakPolarHBondContact O-CB 3.3Å; L463-K467 VanDerWaalsContact O-CG 3.32Å; L463-K467 WeakPolarHBondContact O-CG 3.35Å; L463-K467 PolarHBondContact O-N 3.28Å; S464-K467 PolarHBondContact O-N 2.92Å; K467-N469 PolarHBondContact O-N 2.95Å; K467-N470 PolarHBondContact O-N 3.05Å; K467-N470 VanDerWaalsContact O-N 3.12Å; K467-Y473 VanDerWaalsContact CE-OH 3.22Å; K467-Y473 WeakPolarHBondContact CE-OH 3.5Å; K467-Y473 HydrophobicContact CG-CE1 4.29Å |
| 468 | A | 96.9 | Very high | 97 | Very high | 67 Ų | 67 | 29.7 Ų | 29.7 | 55% | 0.554 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -61.5 | -28.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | Y33 S464 G465 | Y33-A468 HydrophobicContact CD1-CB 4Å; Y33-A468 HydrophobicContact CE1-CB 3.66Å; S464-A468 VanDerWaalsContact O-CB 3.31Å; S464-A468 WeakPolarHBondContact O-CB 3.28Å; S464-A468 PolarHBondContact O-N 3.24Å; G465-A468 PolarHBondContact O-N 3Å |
| 469 | N | 96.5 | Very high | 96.9 | Very high | 76 Ų | 76 | 32.9 Ų | 32.9 | 41% | 0.406 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 6.5 | 178.5 | -68.9 | -87.8 | 0 | 0 | 0 | 113.4 | Y33 G465 L466 K467 V471 Y508 | Y33-N469 VanDerWaalsContact CZ-ND2 3.34Å; Y33-N469 PolarHBondContact OH-ND2 3.03Å; G465-N469 PolarHBondContact O-N 3.29Å; G465-N469 VanDerWaalsContact O-N 3.13Å; G465-N469 PolarHBondContact O-ND2 2.7Å; L466-N469 CarbonylContact O-C 3.57Å; L466-N469 PolarHBondContact O-N 2.9Å; K467-N469 PolarHBondContact O-N 2.95Å; N469-V471 VanDerWaalsContact C-N 3.25Å; N469-V471 HydrophobicContact CB-CG2 4Å; N469-V471 PolarHBondContact O-N 3.47Å; N469-Y508 PolarHBondContact ND2-OH 2.63Å |
| 470 | N | 95.6 | Very high | 96.8 | Very high | 144 Ų | 144 | 33.4 Ų | 33.4 | 77% | 0.77 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 42.7 | -177.6 | -162 | 54.9 | 0 | 0 | 0 | 113.2 | L466 K467 | L466-N470 PolarHBondContact O-N 3.27Å; K467-N470 PolarHBondContact O-N 3.05Å; K467-N470 VanDerWaalsContact O-N 3.12Å |
| 471 | V | 95.1 | Very high | 96.8 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 19% | 0.194 | 18% | 0.177 | C | C | . | . | trans | -97.4 | 118.7 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | L466 N469 I512 T515 | L466-V471 HydrophobicContact CB-CB 4.43Å; L466-V471 HydrophobicContact CD2-CB 3.92Å; L466-V471 HydrophobicContact CD2-CG1 3.88Å; L466-V471 PolarHBondContact O-N 3.43Å; N469-V471 VanDerWaalsContact C-N 3.25Å; N469-V471 HydrophobicContact CB-CG2 4Å; N469-V471 PolarHBondContact O-N 3.47Å; V471-I512 HydrophobicContact CB-CD1 4.49Å; V471-I512 HydrophobicContact CG2-CD1 3.8Å; V471-T515 HydrophobicContact CG1-CG2 4.19Å | ||
| 472 | D | 92.1 | Very high | 96.8 | Very high | 113 Ų | 113 | 33.6 Ų | 33.6 | 60% | 0.604 | 18% | 0.178 | S | C | * | . | trans | -64.6 | 136.9 | 175.5 | -68.1 | -24.7 | 0 | 0 | 0 | 111.3 | R520 | D472-R520 IonicContact OD2-NH1 3.32Å; D472-R520 PolarHBondContact OD2-NH1 2.67Å | ||
| 473 | Y | 94.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 14% | 0.137 | 18% | 0.183 | C | C | . | . | trans | -136.3 | 157.2 | 174.8 | 64.1 | -92.5 | 0 | 0 | 0 | 111.2 | D323 N353 L463 L466 K467 V478 | D323-Y473 PolarHBondContact OD1-OH 3.01Å; N353-Y473 PolarHBondContact ND2-O 3.19Å; L463-Y473 HydrophobicContact CD1-CE2 4.48Å; L463-Y473 HydrophobicContact CD2-CD1 4.32Å; L463-Y473 HydrophobicContact CD2-CD2 3.85Å; L463-Y473 HydrophobicContact CD2-CE1 4.06Å; L463-Y473 HydrophobicContact CD2-CE2 3.57Å; L463-Y473 HydrophobicContact CD2-CG 4.22Å; L466-Y473 HydrophobicContact CB-CD1 4.08Å; L466-Y473 HydrophobicContact CD1-CD1 3.96Å; L466-Y473 HydrophobicContact CD1-CG 4.14Å; K467-Y473 VanDerWaalsContact CE-OH 3.22Å; K467-Y473 WeakPolarHBondContact CE-OH 3.5Å; K467-Y473 HydrophobicContact CG-CE1 4.29Å; Y473-V478 HydrophobicContact CD2-CG2 3.91Å; Y473-V478 HydrophobicContact CG-CG2 4.26Å | ||
| 474 | T | 95.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | trans | -122 | 160.1 | 170.5 | 68 | 0 | 0 | 0 | 0 | 109.9 | N353 H476 S477 V478 R520 P556 | N353-T474 VanDerWaalsContact OD1-CA 3.29Å; N353-T474 WeakPolarHBondContact OD1-CA 3.23Å; T474-H476 PolarHBondContact O-N 3.36Å; T474-H476 VanDerWaalsContact O-N 3.13Å; T474-H476 PolarHBondContact OG1-N 2.89Å; T474-S477 PolarHBondContact N-OG 2.84Å; T474-S477 PolarHBondContact O-N 2.98Å; T474-S477 VanDerWaalsContact O-N 3.12Å; T474-S477 PolarHBondContact O-OG 3.03Å; T474-S477 PolarHBondContact OG1-N 3.35Å; T474-S477 VanDerWaalsContact OG1-N 3.08Å; T474-V478 WeakPolarHBondContact O-CG2 3.37Å; T474-V478 PolarHBondContact O-N 3.14Å; T474-R520 WeakPolarHBondContact CB-O 3.42Å; T474-R520 HydrophobicContact CG2-CB 4.05Å; T474-R520 VanDerWaalsContact CG2-O 3.31Å; T474-R520 WeakPolarHBondContact CG2-O 3.4Å; T474-R520 PolarHBondContact OG1-O 2.93Å; T474-P556 HydrophobicContact CG2-CG 4.17Å | ||
| 475 | V | 95.9 | Very high | 96.6 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -51.6 | -35.3 | 171.7 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | V349 N353 T354 I355 R479 | V349-V475 HydrophobicContact CG1-CB 4.06Å; V349-V475 HydrophobicContact CG1-CG1 4.03Å; V349-V475 HydrophobicContact CG1-CG2 3.91Å; V349-V475 WeakPolarHBondContact O-CG1 3.18Å; N353-V475 VanDerWaalsContact C-CG1 3.45Å; N353-V475 WeakPolarHBondContact OD1-CG1 3.27Å; N353-V475 PolarHBondContact OD1-N 2.96Å; T354-V475 WeakPolarHBondContact O-CG1 3.28Å; I355-V475 HydrophobicContact CG1-CB 4.27Å; I355-V475 HydrophobicContact CG1-CG1 3.79Å; V475-R479 WeakPolarHBondContact O-CB 3.19Å; V475-R479 PolarHBondContact O-N 3.02Å |
| 476 | H | 95.3 | Very high | 96.6 | Very high | 40 Ų | 40 | 38.3 Ų | 38.3 | 19% | 0.185 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.4 | -42.2 | 179.3 | -57 | -63.7 | 0 | 0 | 0 | 112.6 | W350 T474 R480 G522 | W350-H476 AromaticContact CD1-CE1 3.87Å; W350-H476 AromaticContact NE1-CE1 3.99Å; T474-H476 PolarHBondContact O-N 3.36Å; T474-H476 VanDerWaalsContact O-N 3.13Å; T474-H476 PolarHBondContact OG1-N 2.89Å; H476-R480 WeakPolarHBondContact O-CB 3.44Å; H476-R480 PolarHBondContact O-N 3.41Å; H476-G522 VanDerWaalsContact CD2-CA 3.44Å; H476-G522 WeakPolarHBondContact CD2-CA 3.34Å; H476-G522 PolarHBondContact CD2-N 3.03Å |
| 477 | S | 96.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 178.1 | 70.8 | 0 | 0 | 0 | 0 | 111 | T474 R480 A481 N519 | T474-S477 PolarHBondContact N-OG 2.84Å; T474-S477 PolarHBondContact O-N 2.98Å; T474-S477 VanDerWaalsContact O-N 3.12Å; T474-S477 PolarHBondContact O-OG 3.03Å; T474-S477 PolarHBondContact OG1-N 3.35Å; T474-S477 VanDerWaalsContact OG1-N 3.08Å; S477-R480 PolarHBondContact O-N 3.26Å; S477-A481 WeakPolarHBondContact O-CB 3.26Å; S477-A481 PolarHBondContact O-N 3.5Å; S477-N519 VanDerWaalsContact CB-O 3.26Å; S477-N519 WeakPolarHBondContact CB-O 3.12Å |
| 478 | V | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -49.1 | 178 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | I355 I459 L463 Y473 T474 R480 A481 L482 L511 | I355-V478 HydrophobicContact CD1-CB 3.85Å; I355-V478 HydrophobicContact CD1-CG1 3.78Å; I355-V478 HydrophobicContact CD1-CG2 3.92Å; I459-V478 HydrophobicContact CG2-CG1 4.05Å; L463-V478 HydrophobicContact CD2-CG2 4.06Å; Y473-V478 HydrophobicContact CD2-CG2 3.91Å; Y473-V478 HydrophobicContact CG-CG2 4.26Å; T474-V478 WeakPolarHBondContact O-CG2 3.37Å; T474-V478 PolarHBondContact O-N 3.14Å; V478-R480 VanDerWaalsContact C-N 3.32Å; V478-R480 PolarHBondContact O-N 2.82Å; V478-A481 WeakPolarHBondContact O-CB 3.38Å; V478-A481 PolarHBondContact O-N 3.42Å; V478-L482 HydrophobicContact CG1-CD1 4.05Å; V478-L482 HydrophobicContact CG1-CG 4.39Å; V478-L482 VanDerWaalsContact O-CG 3.25Å; V478-L482 WeakPolarHBondContact O-CG 3.2Å; V478-L482 PolarHBondContact O-N 2.8Å; V478-L511 HydrophobicContact CG2-CD1 4.18Å |
| 479 | R | 97.6 | Very high | 96.2 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -55.2 | -47 | 175.4 | 180 | 176.7 | -178.9 | 159.5 | 5.1 | 112.1 | S378 I381 S423 V475 A481 L482 E483 | S378-R479 PolarHBondContact O-NH1 3.25Å; I381-R479 HydrophobicContact CD1-CB 4.17Å; I381-R479 HydrophobicContact CD1-CG 4.38Å; I381-R479 HydrophobicContact CG1-CG 4.28Å; S423-R479 PolarHBondContact OG-NH2 2.93Å; V475-R479 WeakPolarHBondContact O-CB 3.19Å; V475-R479 PolarHBondContact O-N 3.02Å; R479-A481 VanDerWaalsContact C-N 3.35Å; R479-A481 PolarHBondContact O-N 2.7Å; R479-L482 PolarHBondContact O-N 2.81Å; R479-E483 HydrophobicContact CG-CG 4.39Å; R479-E483 IonicContact CZ-OE1 3.35Å; R479-E483 IonicContact NE-OE1 2.7Å; R479-E483 PolarHBondContact NE-OE1 3.41Å; R479-E483 IonicContact NH2-OE1 3.28Å; R479-E483 PolarHBondContact NH2-OE1 3.4Å; R479-E483 WeakPolarHBondContact O-CG 3.18Å; R479-E483 PolarHBondContact O-N 2.93Å |
| 480 | R | 97.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 178.8 | -174.3 | -178.4 | -58.3 | 124.3 | 6.8 | 111.7 | H476 S477 V478 L482 E483 N484 N519 L521 L626 | H476-R480 WeakPolarHBondContact O-CB 3.44Å; H476-R480 PolarHBondContact O-N 3.41Å; S477-R480 PolarHBondContact O-N 3.26Å; V478-R480 VanDerWaalsContact C-N 3.32Å; V478-R480 PolarHBondContact O-N 2.82Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.1Å; R480-E483 PolarHBondContact O-N 2.93Å; R480-N484 WeakPolarHBondContact CG-ND2 3.45Å; R480-N484 VanDerWaalsContact O-CB 3.23Å; R480-N484 WeakPolarHBondContact O-CB 3.48Å; R480-N484 VanDerWaalsContact O-CG 3.24Å; R480-N484 PolarHBondContact O-N 3.33Å; R480-N484 PolarHBondContact O-OD1 3.17Å; R480-N519 VanDerWaalsContact NH1-C 3.27Å; R480-N519 VanDerWaalsContact NH1-CA 3.3Å; R480-N519 PolarHBondContact NH1-O 3.09Å; R480-L521 PolarHBondContact NH2-O 2.81Å; R480-L626 PolarHBondContact NE-O 2.94Å; R480-L626 PolarHBondContact NH2-O 3.5Å |
| 481 | A | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | S477 V478 R479 T485 A507 Y510 L511 | S477-A481 WeakPolarHBondContact O-CB 3.26Å; S477-A481 PolarHBondContact O-N 3.5Å; V478-A481 WeakPolarHBondContact O-CB 3.38Å; V478-A481 PolarHBondContact O-N 3.42Å; R479-A481 VanDerWaalsContact C-N 3.35Å; R479-A481 PolarHBondContact O-N 2.7Å; A481-T485 WeakPolarHBondContact O-CB 3.09Å; A481-T485 VanDerWaalsContact O-CG2 3.26Å; A481-T485 WeakPolarHBondContact O-CG2 3.33Å; A481-T485 PolarHBondContact O-N 3.44Å; A481-T485 VanDerWaalsContact O-N 3.15Å; A481-T485 PolarHBondContact O-OG1 2.61Å; A481-A507 HydrophobicContact CB-CB 4.43Å; A481-Y510 HydrophobicContact CB-CD1 3.41Å; A481-Y510 VanDerWaalsContact CB-CD1 3.41Å; A481-Y510 HydrophobicContact CB-CE1 4Å; A481-Y510 HydrophobicContact CB-CG 4.11Å; A481-L511 HydrophobicContact CB-CD1 3.9Å; A481-L511 HydrophobicContact CB-CD2 3.86Å; A481-L511 HydrophobicContact CB-CG 3.6Å |
| 482 | L | 98.4 | Very high | 95 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 177.5 | -62.4 | 168.7 | 0 | 0 | 0 | 111.7 | I381 I424 I459 V478 R479 R480 A486 I502 A507 | I381-L482 HydrophobicContact CD1-CD1 4Å; I424-L482 HydrophobicContact CD1-CD1 4.46Å; I424-L482 HydrophobicContact CG2-CB 4.36Å; I459-L482 HydrophobicContact CD1-CD1 3.66Å; I459-L482 HydrophobicContact CG1-CD1 3.81Å; I459-L482 HydrophobicContact CG1-CD2 4.1Å; V478-L482 HydrophobicContact CG1-CD1 4.05Å; V478-L482 HydrophobicContact CG1-CG 4.39Å; V478-L482 VanDerWaalsContact O-CG 3.25Å; V478-L482 WeakPolarHBondContact O-CG 3.2Å; V478-L482 PolarHBondContact O-N 2.8Å; R479-L482 PolarHBondContact O-N 2.81Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.1Å; L482-A486 WeakPolarHBondContact O-CB 2.93Å; L482-A486 PolarHBondContact O-N 3.35Å; L482-A486 VanDerWaalsContact O-N 3.11Å; L482-I502 HydrophobicContact CD2-CD1 3.51Å; L482-I502 HydrophobicContact CD2-CG1 3.72Å; L482-A507 HydrophobicContact CD2-CB 4.03Å |
| 483 | E | 97.9 | Very high | 95 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 12% | 0.121 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.1 | -35.3 | -178.5 | -68.8 | 178.4 | 178.6 | 0 | 0 | 113 | I424 R479 R480 H499 R628 | I424-E483 HydrophobicContact CG2-CG 4.46Å; R479-E483 HydrophobicContact CG-CG 4.39Å; R479-E483 IonicContact CZ-OE1 3.35Å; R479-E483 IonicContact NE-OE1 2.7Å; R479-E483 PolarHBondContact NE-OE1 3.41Å; R479-E483 IonicContact NH2-OE1 3.28Å; R479-E483 PolarHBondContact NH2-OE1 3.4Å; R479-E483 WeakPolarHBondContact O-CG 3.18Å; R479-E483 PolarHBondContact O-N 2.93Å; R480-E483 PolarHBondContact O-N 2.93Å; E483-H499 HydrophobicContact CB-CB 4.25Å; E483-H499 WeakPolarHBondContact CG-ND1 3.39Å; E483-H499 VanDerWaalsContact O-CB 3.27Å; E483-H499 WeakPolarHBondContact O-CB 3.38Å; E483-H499 IonicContact OE2-CE1 3.47Å; E483-R628 IonicContact OE2-NH1 3.54Å; E483-R628 PolarHBondContact OE2-NH1 3.16Å |
| 484 | N | 97.6 | Very high | 95 | Very high | 39 Ų | 39 | 43 Ų | 43 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.9 | -22.8 | -178.7 | -70.8 | 6.2 | 0 | 0 | 0 | 112.8 | R480 Y510 A623 P625 R628 | R480-N484 WeakPolarHBondContact CG-ND2 3.45Å; R480-N484 VanDerWaalsContact O-CB 3.23Å; R480-N484 WeakPolarHBondContact O-CB 3.48Å; R480-N484 VanDerWaalsContact O-CG 3.24Å; R480-N484 PolarHBondContact O-N 3.33Å; R480-N484 PolarHBondContact O-OD1 3.17Å; N484-Y510 HydrophobicContact CB-CE2 4.13Å; N484-Y510 PolarHBondContact ND2-OH 3.36Å; N484-A623 PolarHBondContact ND2-O 2.74Å; N484-P625 PolarHBondContact ND2-O 3.43Å; N484-R628 PolarHBondContact OD1-NH1 3.49Å; N484-R628 PolarHBondContact OD1-NH2 2.91Å |
| 485 | T | 98 | Very high | 95.1 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 14% | 0.135 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -109.2 | -10.6 | -173.9 | 64 | 0 | 0 | 0 | 0 | 114.6 | A481 K506 Y510 | A481-T485 WeakPolarHBondContact O-CB 3.09Å; A481-T485 VanDerWaalsContact O-CG2 3.26Å; A481-T485 WeakPolarHBondContact O-CG2 3.33Å; A481-T485 PolarHBondContact O-N 3.44Å; A481-T485 VanDerWaalsContact O-N 3.15Å; A481-T485 PolarHBondContact O-OG1 2.61Å; T485-K506 HydrophobicContact CG2-CB 4.19Å; T485-Y510 HydrophobicContact CG2-CD2 3.99Å; T485-Y510 HydrophobicContact CG2-CG 4.08Å |
| 486 | A | 97.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 42 Ų | 42 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 145.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I424 L482 H499 I501 | I424-A486 HydrophobicContact CG2-CB 4.41Å; L482-A486 WeakPolarHBondContact O-CB 2.93Å; L482-A486 PolarHBondContact O-N 3.35Å; L482-A486 VanDerWaalsContact O-N 3.11Å; A486-H499 HydrophobicContact CB-CB 4.24Å; A486-I501 VanDerWaalsContact CA-O 3.28Å; A486-I501 WeakPolarHBondContact CA-O 3.47Å; A486-I501 WeakPolarHBondContact CB-O 3.36Å |
| 487 | I | 96.9 | Very high | 95.1 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 36% | 0.359 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -100.3 | 121.3 | 178.7 | -65.3 | 171.6 | 0 | 0 | 0 | 109.2 | A489 G500 I501 Q503 | I487-A489 PolarHBondContact O-N 3.45Å; I487-G500 CarbonylContact O-C 3.56Å; I487-G500 WeakPolarHBondContact O-CA 3.43Å; I487-I501 PolarHBondContact N-O 3.04Å; I487-I501 PolarHBondContact O-N 2.89Å; I487-Q503 HydrophobicContact CB-CG 4.38Å; I487-Q503 VanDerWaalsContact CD1-CD 3.4Å; I487-Q503 HydrophobicContact CD1-CG 3.72Å; I487-Q503 VanDerWaalsContact CD1-OE1 3.28Å; I487-Q503 HydrophobicContact CG1-CG 3.68Å |
| 488 | K | 95.2 | Very high | 95.1 | Very high | 126 Ų | 126 | 40.1 Ų | 40.1 | 55% | 0.548 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 130 | 174.2 | -66.2 | -177.5 | 179.2 | -179.7 | 0 | 110 | H499 | K488-H499 VanDerWaalsContact CG-O 3.27Å; K488-H499 WeakPolarHBondContact CG-O 3.36Å |
| 489 | A | 90.8 | Very high | 95.1 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 13% | 0.132 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 137.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y386 I487 I492 Q497 I501 | Y386-A489 HydrophobicContact CE2-CB 4.45Å; I487-A489 PolarHBondContact O-N 3.45Å; A489-I492 HydrophobicContact CB-CD1 3.57Å; A489-I492 HydrophobicContact CB-CG1 4.25Å; A489-Q497 PolarHBondContact O-NE2 3.16Å; A489-I501 HydrophobicContact CB-CD1 4.37Å |
| 490 | D | 88.6 | Confident | 95.1 | Very high | 139 Ų | 139 | 37.7 Ų | 37.7 | 74% | 0.743 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 148.5 | -180 | -66.2 | -36.9 | 0 | 0 | 0 | 111.6 | I492 | D490-I492 PolarHBondContact O-N 2.86Å; D490-I492 VanDerWaalsContact O-N 3.12Å |
| 491 | N | 84.6 | Confident | 95.1 | Very high | 174 Ų | 174 | 37.8 Ų | 37.8 | 93% | 0.93 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 17.8 | 177.9 | -52 | -56.8 | 0 | 0 | 0 | 115.2 | ||
| 492 | I | 89.9 | Confident | 95.1 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | trans | -112.2 | 132.2 | 173.9 | -58.9 | -178.5 | 0 | 0 | 0 | 109 | Q406 A489 D490 A496 Q497 | Q406-I492 HydrophobicContact CB-CG2 4.35Å; Q406-I492 HydrophobicContact CG-CD1 3.99Å; Q406-I492 HydrophobicContact CG-CG2 3.42Å; Q406-I492 VanDerWaalsContact CG-CG2 3.42Å; A489-I492 HydrophobicContact CB-CD1 3.57Å; A489-I492 HydrophobicContact CB-CG1 4.25Å; D490-I492 PolarHBondContact O-N 2.86Å; D490-I492 VanDerWaalsContact O-N 3.12Å; I492-A496 HydrophobicContact CG2-CB 4.17Å; I492-Q497 HydrophobicContact CG2-CB 3.92Å; I492-Q497 HydrophobicContact CG2-CG 4.01Å; I492-Q497 PolarHBondContact O-NE2 3.48Å | ||
| 493 | E | 91.6 | Very high | 95.1 | Very high | 72 Ų | 72 | 38.6 Ų | 38.6 | 34% | 0.336 | 20% | 0.201 | S | C | . | . | trans | -69.8 | 143.1 | 179.7 | -63.2 | 165.1 | 144.9 | 0 | 0 | 111.7 | F495 A496 Q497 R661 | E493-F495 PolarHBondContact O-N 3.14Å; E493-F495 VanDerWaalsContact O-N 3.12Å; E493-A496 PolarHBondContact O-N 3.47Å; E493-Q497 PolarHBondContact O-N 3.4Å; E493-R661 VanDerWaalsContact CD-NE 3.29Å; E493-R661 IonicContact OE1-CZ 3.44Å; E493-R661 IonicContact OE1-NE 3.54Å; E493-R661 PolarHBondContact OE1-NE 3.33Å; E493-R661 IonicContact OE1-NH2 3.71Å; E493-R661 IonicContact OE2-CZ 3.86Å; E493-R661 IonicContact OE2-NE 3.01Å; E493-R661 PolarHBondContact OE2-NE 2.97Å; E493-R661 IonicContact OE2-NH2 3.03Å; E493-R661 PolarHBondContact OE2-NH2 2.83Å | ||
| 494 | V | 95.4 | Very high | 95.2 | Very high | 27 Ų | 27 | 37.3 Ų | 37.3 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.7 | -33.1 | 177.2 | 69 | 0 | 0 | 0 | 0 | 112.8 | L420 A496 Q497 G498 Y610 | L420-V494 HydrophobicContact CD1-CG1 4.32Å; L420-V494 HydrophobicContact CD1-CG2 4.1Å; L420-V494 HydrophobicContact CD2-CG2 4.24Å; V494-A496 PolarHBondContact O-N 2.8Å; V494-Q497 PolarHBondContact O-N 2.91Å; V494-G498 WeakPolarHBondContact CG2-O 3.42Å; V494-G498 VanDerWaalsContact O-CA 3.25Å; V494-G498 WeakPolarHBondContact O-CA 3.47Å; V494-G498 PolarHBondContact O-N 2.89Å; V494-Y610 HydrophobicContact CB-CD1 4.47Å; V494-Y610 HydrophobicContact CB-CE1 4.29Å; V494-Y610 HydrophobicContact CG1-CD1 3.6Å; V494-Y610 HydrophobicContact CG1-CE1 3.74Å; V494-Y610 HydrophobicContact CG1-CG 3.99Å; V494-Y610 HydrophobicContact CG2-CD1 4.48Å; V494-Y610 HydrophobicContact CG2-CE1 3.83Å |
| 495 | F | 96.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.7 | -21.3 | 179.8 | -58.3 | -65.4 | 0 | 0 | 0 | 114.2 | L367 R412 G413 P414 L420 V422 E493 L608 Y610 T632 | L367-F495 HydrophobicContact CD2-CB 3.94Å; L367-F495 HydrophobicContact CD2-CD2 4.06Å; L367-F495 HydrophobicContact CD2-CG 4.09Å; R412-F495 VanDerWaalsContact CA-O 3.32Å; R412-F495 WeakPolarHBondContact CA-O 3.41Å; R412-F495 HydrophobicContact CB-CB 4.3Å; G413-F495 PolarHBondContact N-O 3.2Å; G413-F495 WeakPolarHBondContact O-CB 3.15Å; P414-F495 HydrophobicContact CB-CD1 4.33Å; P414-F495 HydrophobicContact CB-CE1 4.05Å; P414-F495 VanDerWaalsContact CD-CD1 3.49Å; P414-F495 HydrophobicContact CG-CD1 4.43Å; P414-F495 HydrophobicContact CG-CE1 4.06Å; P414-F495 VanDerWaalsContact N-CD1 3.33Å; L420-F495 HydrophobicContact CD1-CD1 3.77Å; L420-F495 HydrophobicContact CD1-CE1 4.05Å; V422-F495 WeakPolarHBondContact CG2-O 3.46Å; E493-F495 PolarHBondContact O-N 3.14Å; E493-F495 VanDerWaalsContact O-N 3.12Å; F495-L608 HydrophobicContact CD2-CD2 3.73Å; F495-L608 HydrophobicContact CE2-CD1 3.99Å; F495-L608 HydrophobicContact CE2-CD2 3.38Å; F495-L608 HydrophobicContact CE2-CG 3.81Å; F495-L608 HydrophobicContact CZ-CD1 4.25Å; F495-L608 HydrophobicContact CZ-CD2 4.41Å; F495-L608 HydrophobicContact CZ-CG 4.49Å; F495-Y610 AromaticContact CE1-CD2 3.87Å; F495-Y610 HydrophobicContact CE1-CD2 3.87Å; F495-Y610 HydrophobicContact CE1-CE2 4.31Å; F495-Y610 HydrophobicContact CE1-CG 4.39Å; F495-Y610 AromaticContact CZ-CD2 3.73Å; F495-Y610 HydrophobicContact CZ-CD2 3.73Å; F495-Y610 AromaticContact CZ-CG 3.89Å; F495-Y610 HydrophobicContact CZ-CG 3.89Å; F495-T632 HydrophobicContact CE1-CG2 4.31Å; F495-T632 HydrophobicContact CZ-CG2 3.77Å |
| 496 | A | 95.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -92 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q406 R412 I492 E493 V494 | Q406-A496 HydrophobicContact CB-CB 4.36Å; Q406-A496 HydrophobicContact CG-CB 4Å; R412-A496 HydrophobicContact CG-CB 3.8Å; I492-A496 HydrophobicContact CG2-CB 4.17Å; E493-A496 PolarHBondContact O-N 3.47Å; V494-A496 PolarHBondContact O-N 2.8Å |
| 497 | Q | 95.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 2% | 0.023 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -100.9 | -10.5 | -172.8 | 66.7 | 177.4 | -43.1 | 0 | 0 | 115.7 | I424 S425 A489 I492 E493 V494 H499 G500 | I424-Q497 CarbonylContact C-O 3.57Å; S425-Q497 PolarHBondContact N-O 3.07Å; S425-Q497 WeakPolarHBondContact OG-CA 3.31Å; S425-Q497 PolarHBondContact OG-O 2.81Å; A489-Q497 PolarHBondContact O-NE2 3.16Å; I492-Q497 HydrophobicContact CG2-CB 3.92Å; I492-Q497 HydrophobicContact CG2-CG 4.01Å; I492-Q497 PolarHBondContact O-NE2 3.48Å; E493-Q497 PolarHBondContact O-N 3.4Å; V494-Q497 PolarHBondContact O-N 2.91Å; Q497-H499 PolarHBondContact O-N 2.99Å; Q497-G500 PolarHBondContact O-N 2.85Å; Q497-G500 VanDerWaalsContact O-N 3.1Å |
| 498 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -128.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V422 V494 G500 | V422-G498 VanDerWaalsContact O-CA 3.23Å; V422-G498 WeakPolarHBondContact O-CA 3.19Å; V494-G498 WeakPolarHBondContact CG2-O 3.42Å; V494-G498 VanDerWaalsContact O-CA 3.25Å; V494-G498 WeakPolarHBondContact O-CA 3.47Å; V494-G498 PolarHBondContact O-N 2.89Å; G498-G500 PolarHBondContact O-N 3.21Å |
| 499 | H | 97.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 9% | 0.088 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.3 | 177.1 | -63.6 | 85.4 | 0 | 0 | 0 | 113.9 | S423 E483 A486 K488 Q497 R628 | S423-H499 PolarHBondContact O-N 2.85Å; S423-H499 PolarHBondContact O-ND1 3.46Å; E483-H499 HydrophobicContact CB-CB 4.25Å; E483-H499 WeakPolarHBondContact CG-ND1 3.39Å; E483-H499 VanDerWaalsContact O-CB 3.27Å; E483-H499 WeakPolarHBondContact O-CB 3.38Å; E483-H499 IonicContact OE2-CE1 3.47Å; A486-H499 HydrophobicContact CB-CB 4.24Å; K488-H499 VanDerWaalsContact CG-O 3.27Å; K488-H499 WeakPolarHBondContact CG-O 3.36Å; Q497-H499 PolarHBondContact O-N 2.99Å; H499-R628 WeakPolarHBondContact NE2-CD 3.47Å; H499-R628 PolarHBondContact NE2-NE 2.81Å; H499-R628 VanDerWaalsContact NE2-NE 3.11Å |
| 500 | G | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | 126 | -171.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I424 S425 I487 Q497 G498 | I424-G500 CarbonylContact C-O 3.58Å; S425-G500 PolarHBondContact N-O 2.97Å; I487-G500 CarbonylContact O-C 3.56Å; I487-G500 WeakPolarHBondContact O-CA 3.43Å; Q497-G500 PolarHBondContact O-N 2.85Å; Q497-G500 VanDerWaalsContact O-N 3.1Å; G498-G500 PolarHBondContact O-N 3.21Å | ||
| 501 | I | 97.7 | Very high | 96 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 7% | 0.067 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 129 | 177.8 | -52.9 | 167.6 | 0 | 0 | 0 | 108.8 | T21 Y386 S425 A486 I487 A489 | T21-I501 HydrophobicContact CG2-CG2 4.39Å; Y386-I501 HydrophobicContact CD1-CD1 4.14Å; Y386-I501 HydrophobicContact CD2-CD1 3.71Å; Y386-I501 HydrophobicContact CD2-CG1 4.13Å; Y386-I501 HydrophobicContact CE1-CD1 3.9Å; Y386-I501 HydrophobicContact CE2-CD1 3.44Å; Y386-I501 VanDerWaalsContact CE2-CD1 3.44Å; Y386-I501 HydrophobicContact CE2-CG1 4.35Å; Y386-I501 HydrophobicContact CG-CD1 4.03Å; Y386-I501 HydrophobicContact CG-CG1 4.26Å; S425-I501 WeakPolarHBondContact O-CA 3.5Å; A486-I501 VanDerWaalsContact CA-O 3.28Å; A486-I501 WeakPolarHBondContact CA-O 3.47Å; A486-I501 WeakPolarHBondContact CB-O 3.36Å; I487-I501 PolarHBondContact N-O 3.04Å; I487-I501 PolarHBondContact O-N 2.89Å; A489-I501 HydrophobicContact CB-CD1 4.37Å |
| 502 | I | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | trans | -50.7 | 140.3 | 176 | -177.3 | 173.4 | 0 | 0 | 0 | 111.5 | T21 I424 S425 A426 A455 I459 L482 | T21-I502 CarbonylContact C-O 3.5Å; T21-I502 VanDerWaalsContact CA-O 3.23Å; T21-I502 WeakPolarHBondContact CA-O 3.3Å; T21-I502 HydrophobicContact CG2-CG2 3.58Å; I424-I502 HydrophobicContact CD1-CB 4.17Å; I424-I502 HydrophobicContact CD1-CD1 4.2Å; I424-I502 HydrophobicContact CD1-CG1 4.47Å; S425-I502 PolarHBondContact O-N 3.11Å; A426-I502 HydrophobicContact CB-CG2 4.12Å; A455-I502 HydrophobicContact CB-CD1 4.5Å; I459-I502 HydrophobicContact CG1-CD1 4.11Å; L482-I502 HydrophobicContact CD2-CD1 3.51Å; L482-I502 HydrophobicContact CD2-CG1 3.72Å | ||
| 503 | Q | 98.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 28.2 Ų | 28.2 | 9% | 0.089 | 14% | 0.136 | C | C | . | . | trans | -125.6 | 101.1 | 174.8 | -62.9 | -62.7 | -71.5 | 0 | 0 | 109.6 | E20 T21 I487 D505 K506 A507 | E20-Q503 PolarHBondContact O-NE2 3.26Å; T21-Q503 CarbonylContact O-C 3.58Å; T21-Q503 WeakPolarHBondContact O-CA 3.16Å; I487-Q503 HydrophobicContact CB-CG 4.38Å; I487-Q503 VanDerWaalsContact CD1-CD 3.4Å; I487-Q503 HydrophobicContact CD1-CG 3.72Å; I487-Q503 VanDerWaalsContact CD1-OE1 3.28Å; I487-Q503 HydrophobicContact CG1-CG 3.68Å; Q503-D505 PolarHBondContact O-N 3.46Å; Q503-K506 HydrophobicContact CB-CB 3.93Å; Q503-K506 HydrophobicContact CB-CD 4.06Å; Q503-K506 HydrophobicContact CB-CG 4.1Å; Q503-K506 HydrophobicContact CG-CD 4.2Å; Q503-K506 PolarHBondContact O-N 2.93Å; Q503-A507 WeakPolarHBondContact O-CB 3.43Å; Q503-A507 PolarHBondContact O-N 3.31Å | ||
| 504 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | -173.5 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | T21 A23 F26 L461 V462 A507 Y508 | T21-V504 WeakPolarHBondContact O-CG2 3.24Å; T21-V504 PolarHBondContact O-N 3.48Å; A23-V504 HydrophobicContact CB-CG2 4.12Å; F26-V504 HydrophobicContact CB-CG1 3.94Å; F26-V504 HydrophobicContact CD1-CG1 3.84Å; F26-V504 HydrophobicContact CD2-CG1 4.21Å; F26-V504 HydrophobicContact CE1-CG1 4.38Å; F26-V504 HydrophobicContact CG-CG1 3.73Å; L461-V504 HydrophobicContact CB-CG1 3.94Å; L461-V504 HydrophobicContact CD1-CG1 4.14Å; V462-V504 HydrophobicContact CG2-CG1 3.91Å; V504-A507 PolarHBondContact O-N 3.25Å; V504-Y508 WeakPolarHBondContact O-CB 3.49Å; V504-Y508 PolarHBondContact O-N 3.33Å |
| 505 | D | 97.2 | Very high | 96.4 | Very high | 40 Ų | 40 | 28.9 Ų | 28.9 | 21% | 0.214 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -48.8 | -179.9 | 57 | -12.8 | 0 | 0 | 0 | 112.4 | F26 Q503 Y508 D509 | F26-D505 HydrophobicContact CB-CB 4.38Å; F26-D505 HydrophobicContact CD2-CB 4.27Å; Q503-D505 PolarHBondContact O-N 3.46Å; D505-Y508 PolarHBondContact O-N 3.28Å; D505-D509 PolarHBondContact O-N 2.88Å |
| 506 | K | 98 | Very high | 95.9 | Very high | 91 Ų | 91 | 31.1 Ų | 31.1 | 40% | 0.396 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67.1 | -38.5 | 179.1 | -61 | -175.2 | -175.3 | -178.9 | 0 | 112.3 | T485 Q503 D509 Y510 | T485-K506 HydrophobicContact CG2-CB 4.19Å; Q503-K506 HydrophobicContact CB-CB 3.93Å; Q503-K506 HydrophobicContact CB-CD 4.06Å; Q503-K506 HydrophobicContact CB-CG 4.1Å; Q503-K506 HydrophobicContact CG-CD 4.2Å; Q503-K506 PolarHBondContact O-N 2.93Å; K506-D509 PolarHBondContact O-N 3.12Å; K506-Y510 VanDerWaalsContact O-CB 3.28Å; K506-Y510 WeakPolarHBondContact O-CB 3.15Å; K506-Y510 PolarHBondContact O-N 2.81Å |
| 507 | A | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V462 A481 L482 Q503 V504 L511 | V462-A507 HydrophobicContact CG2-CB 4.46Å; A481-A507 HydrophobicContact CB-CB 4.43Å; L482-A507 HydrophobicContact CD2-CB 4.03Å; Q503-A507 WeakPolarHBondContact O-CB 3.43Å; Q503-A507 PolarHBondContact O-N 3.31Å; V504-A507 PolarHBondContact O-N 3.25Å; A507-L511 WeakPolarHBondContact O-CG 3.49Å; A507-L511 PolarHBondContact O-N 3.39Å; A507-L511 VanDerWaalsContact O-N 3.14Å |
| 508 | Y | 98.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -51.7 | 173 | 176.4 | -99.7 | 0 | 0 | 0 | 111.6 | F26 Y30 V462 L466 N469 V504 D505 Y510 L511 I512 | F26-Y508 AromaticContact CE2-CD1 3.73Å; F26-Y508 HydrophobicContact CE2-CD1 3.73Å; F26-Y508 HydrophobicContact CE2-CD2 4.24Å; F26-Y508 HydrophobicContact CE2-CE1 4.4Å; F26-Y508 AromaticContact CE2-CG 3.61Å; F26-Y508 HydrophobicContact CE2-CG 3.61Å; F26-Y508 HydrophobicContact CZ-CD1 4.39Å; F26-Y508 HydrophobicContact CZ-CD2 4.19Å; F26-Y508 HydrophobicContact CZ-CG 4.03Å; Y30-Y508 HydrophobicContact CE2-CD1 4.36Å; Y30-Y508 HydrophobicContact CE2-CE1 4.12Å; V462-Y508 HydrophobicContact CG1-CD2 4.43Å; L466-Y508 HydrophobicContact CD2-CD2 4.26Å; L466-Y508 HydrophobicContact CD2-CE2 4.14Å; L466-Y508 HydrophobicContact CG-CD2 4.36Å; L466-Y508 HydrophobicContact CG-CE2 4.37Å; N469-Y508 PolarHBondContact ND2-OH 2.63Å; V504-Y508 WeakPolarHBondContact O-CB 3.49Å; V504-Y508 PolarHBondContact O-N 3.33Å; D505-Y508 PolarHBondContact O-N 3.28Å; Y508-Y510 PolarHBondContact O-N 3.22Å; Y508-L511 PolarHBondContact O-N 3.42Å; Y508-I512 HydrophobicContact CD1-CG1 4.22Å; Y508-I512 HydrophobicContact CD2-CG1 4.47Å; Y508-I512 HydrophobicContact CE1-CD1 4.43Å; Y508-I512 HydrophobicContact CE1-CG1 3.82Å; Y508-I512 HydrophobicContact CE2-CD1 4.02Å; Y508-I512 HydrophobicContact CE2-CG1 4.06Å; Y508-I512 WeakPolarHBondContact O-CG1 2.91Å; Y508-I512 PolarHBondContact O-N 3.22Å |
| 509 | D | 97.1 | Very high | 94.2 | Very high | 49 Ų | 49 | 34 Ų | 34 | 26% | 0.262 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59 | -38 | 179.5 | -75.8 | -13.2 | 0 | 0 | 0 | 111.4 | R29 D505 K506 I512 Q513 | R29-D509 IonicContact NH1-OD1 2.7Å; R29-D509 IonicContact NH1-OD2 3.85Å; D505-D509 PolarHBondContact O-N 2.88Å; K506-D509 PolarHBondContact O-N 3.12Å; D509-I512 PolarHBondContact O-N 3.04Å; D509-Q513 WeakPolarHBondContact O-CB 3.42Å; D509-Q513 WeakPolarHBondContact O-CG 3.35Å; D509-Q513 PolarHBondContact O-N 3.28Å |
| 510 | Y | 97 | Very high | 93.8 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 174 | 178.5 | -80.1 | 0 | 0 | 0 | 112.3 | A481 N484 T485 K506 Y508 Q513 N514 N519 A623 | A481-Y510 HydrophobicContact CB-CD1 3.41Å; A481-Y510 VanDerWaalsContact CB-CD1 3.41Å; A481-Y510 HydrophobicContact CB-CE1 4Å; A481-Y510 HydrophobicContact CB-CG 4.11Å; N484-Y510 HydrophobicContact CB-CE2 4.13Å; N484-Y510 PolarHBondContact ND2-OH 3.36Å; T485-Y510 HydrophobicContact CG2-CD2 3.99Å; T485-Y510 HydrophobicContact CG2-CG 4.08Å; K506-Y510 VanDerWaalsContact O-CB 3.28Å; K506-Y510 WeakPolarHBondContact O-CB 3.15Å; K506-Y510 PolarHBondContact O-N 2.81Å; Y508-Y510 PolarHBondContact O-N 3.22Å; Y510-Q513 PolarHBondContact O-N 2.93Å; Y510-N514 HydrophobicContact CD1-CB 4.47Å; Y510-N514 HydrophobicContact CE1-CB 4.09Å; Y510-N514 WeakPolarHBondContact O-CB 3.39Å; Y510-N514 PolarHBondContact O-N 3.06Å; Y510-N514 PolarHBondContact O-ND2 3.39Å; Y510-N519 PolarHBondContact OH-OD1 3.38Å; Y510-A623 WeakPolarHBondContact CE2-O 3.34Å; Y510-A623 PolarHBondContact OH-O 2.94Å |
| 511 | L | 97 | Very high | 93.6 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.2 | -35.7 | -178.4 | -73.6 | 164.2 | 0 | 0 | 0 | 112 | V462 L466 V478 A481 A507 Y508 Q513 T515 | V462-L511 HydrophobicContact CG1-CD1 3.66Å; L466-L511 HydrophobicContact CD1-CB 4.43Å; L466-L511 HydrophobicContact CD1-CD1 3.75Å; L466-L511 HydrophobicContact CD2-CB 3.95Å; V478-L511 HydrophobicContact CG2-CD1 4.18Å; A481-L511 HydrophobicContact CB-CD1 3.9Å; A481-L511 HydrophobicContact CB-CD2 3.86Å; A481-L511 HydrophobicContact CB-CG 3.6Å; A507-L511 WeakPolarHBondContact O-CG 3.49Å; A507-L511 PolarHBondContact O-N 3.39Å; A507-L511 VanDerWaalsContact O-N 3.14Å; Y508-L511 PolarHBondContact O-N 3.42Å; L511-Q513 VanDerWaalsContact C-N 3.35Å; L511-T515 WeakPolarHBondContact O-CG2 3.44Å |
| 512 | I | 96.1 | Very high | 93.4 | Very high | 64 Ų | 64 | 35.6 Ų | 35.6 | 33% | 0.328 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 173.8 | -62.9 | -59.4 | 0 | 0 | 0 | 111.5 | L466 V471 Y508 D509 | L466-I512 HydrophobicContact CD2-CD1 3.94Å; V471-I512 HydrophobicContact CB-CD1 4.49Å; V471-I512 HydrophobicContact CG2-CD1 3.8Å; Y508-I512 HydrophobicContact CD1-CG1 4.22Å; Y508-I512 HydrophobicContact CD2-CG1 4.47Å; Y508-I512 HydrophobicContact CE1-CD1 4.43Å; Y508-I512 HydrophobicContact CE1-CG1 3.82Å; Y508-I512 HydrophobicContact CE2-CD1 4.02Å; Y508-I512 HydrophobicContact CE2-CG1 4.06Å; Y508-I512 WeakPolarHBondContact O-CG1 2.91Å; Y508-I512 PolarHBondContact O-N 3.22Å; D509-I512 PolarHBondContact O-N 3.04Å |
| 513 | Q | 94.1 | Very high | 93.3 | Very high | 144 Ų | 144 | 37 Ų | 37 | 67% | 0.673 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -79.2 | -30.5 | -178.1 | -70.6 | 169.5 | 18.8 | 0 | 0 | 113.4 | D509 Y510 L511 | D509-Q513 WeakPolarHBondContact O-CB 3.42Å; D509-Q513 WeakPolarHBondContact O-CG 3.35Å; D509-Q513 PolarHBondContact O-N 3.28Å; Y510-Q513 PolarHBondContact O-N 2.93Å; L511-Q513 VanDerWaalsContact C-N 3.35Å |
| 514 | N | 92.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 16% | 0.16 | 20% | 0.198 | C | C | . | . | trans | -113.6 | 58.6 | -169.5 | -62.8 | -78.7 | 0 | 0 | 0 | 112.6 | Y510 S516 N519 A623 | Y510-N514 HydrophobicContact CD1-CB 4.47Å; Y510-N514 HydrophobicContact CE1-CB 4.09Å; Y510-N514 WeakPolarHBondContact O-CB 3.39Å; Y510-N514 PolarHBondContact O-N 3.06Å; Y510-N514 PolarHBondContact O-ND2 3.39Å; N514-S516 VanDerWaalsContact C-N 3.35Å; N514-S516 PolarHBondContact O-N 2.8Å; N514-N519 HydrophobicContact CB-CB 4.34Å; N514-N519 WeakPolarHBondContact O-CB 3.37Å; N514-A623 VanDerWaalsContact OD1-CB 3.27Å; N514-A623 WeakPolarHBondContact OD1-CB 3.22Å | ||
| 515 | T | 87.1 | Confident | 93.1 | Very high | 82 Ų | 82 | 39.7 Ų | 39.7 | 50% | 0.503 | 20% | 0.204 | S | C | . | . | trans | -86 | 0.3 | -175.8 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | V471 L511 | V471-T515 HydrophobicContact CG1-CG2 4.19Å; L511-T515 WeakPolarHBondContact O-CG2 3.44Å | ||
| 516 | S | 85.4 | Confident | 93.1 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -54.5 | 150.2 | 178.3 | 67.4 | 0 | 0 | 0 | 0 | 112 | N514 A518 N519 R520 | N514-S516 VanDerWaalsContact C-N 3.35Å; N514-S516 PolarHBondContact O-N 2.8Å; S516-A518 VanDerWaalsContact C-N 3.3Å; S516-A518 PolarHBondContact O-N 2.59Å; S516-N519 WeakPolarHBondContact O-CB 3.48Å; S516-N519 PolarHBondContact O-N 2.88Å; S516-N519 WeakPolarHBondContact OG-CB 3.48Å; S516-N519 PolarHBondContact OG-N 3.25Å; S516-N519 PolarHBondContact OG-ND2 3.4Å; S516-R520 PolarHBondContact O-N 2.99Å |
| 517 | F | 83.8 | Confident | 93 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 23% | 0.228 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.5 | -43.2 | 178.5 | -178.3 | -104.3 | 0 | 0 | 0 | 113.2 | N519 R520 L521 F555 T559 E563 F567 | F517-N519 PolarHBondContact O-N 3.34Å; F517-R520 WeakPolarHBondContact O-CA 3.36Å; F517-R520 WeakPolarHBondContact O-CB 3.4Å; F517-R520 PolarHBondContact O-N 2.81Å; F517-L521 HydrophobicContact CD1-CD1 4.15Å; F517-L521 HydrophobicContact CD1-CG 4.39Å; F517-L521 HydrophobicContact CE1-CD1 3.8Å; F517-L521 HydrophobicContact CE1-CD2 3.97Å; F517-L521 HydrophobicContact CE1-CG 4.11Å; F517-L521 HydrophobicContact CE2-CD2 4.42Å; F517-L521 HydrophobicContact CZ-CD2 3.85Å; F517-L521 HydrophobicContact CZ-CG 4.45Å; F517-L521 PolarHBondContact O-N 3.23Å; F517-F555 HydrophobicContact CE1-CD1 4.3Å; F517-F555 AromaticContact CE1-CE1 3.9Å; F517-F555 HydrophobicContact CE1-CE1 3.9Å; F517-F555 AromaticContact CZ-CD1 3.95Å; F517-F555 HydrophobicContact CZ-CD1 3.95Å; F517-F555 HydrophobicContact CZ-CE1 4Å; F517-T559 HydrophobicContact CE2-CG2 4.19Å; F517-T559 HydrophobicContact CZ-CG2 3.82Å; F517-E563 VanDerWaalsContact CE2-OE2 3.27Å; F517-E563 WeakPolarHBondContact CE2-OE2 3.26Å; F517-E563 HydrophobicContact CZ-CB 4.14Å; F517-F567 HydrophobicContact CD1-CD2 4.4Å; F517-F567 HydrophobicContact CE1-CD2 4.18Å |
| 518 | A | 82.7 | Confident | 92.7 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.8 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S516 R520 L521 L569 | S516-A518 VanDerWaalsContact C-N 3.3Å; S516-A518 PolarHBondContact O-N 2.59Å; A518-R520 PolarHBondContact O-N 3.24Å; A518-L521 PolarHBondContact O-N 3.29Å; A518-L569 HydrophobicContact CB-CD1 4.28Å; A518-L569 HydrophobicContact CB-CD2 3.71Å |
| 519 | N | 86.7 | Confident | 92.3 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.2 | -14.4 | 177.1 | -84.8 | -70.7 | 0 | 0 | 0 | 113.5 | S477 R480 Y510 N514 S516 F517 | S477-N519 VanDerWaalsContact CB-O 3.26Å; S477-N519 WeakPolarHBondContact CB-O 3.12Å; R480-N519 VanDerWaalsContact NH1-C 3.27Å; R480-N519 VanDerWaalsContact NH1-CA 3.3Å; R480-N519 PolarHBondContact NH1-O 3.09Å; Y510-N519 PolarHBondContact OH-OD1 3.38Å; N514-N519 HydrophobicContact CB-CB 4.34Å; N514-N519 WeakPolarHBondContact O-CB 3.37Å; S516-N519 WeakPolarHBondContact O-CB 3.48Å; S516-N519 PolarHBondContact O-N 2.88Å; S516-N519 WeakPolarHBondContact OG-CB 3.48Å; S516-N519 PolarHBondContact OG-N 3.25Å; S516-N519 PolarHBondContact OG-ND2 3.4Å; F517-N519 PolarHBondContact O-N 3.34Å |
| 520 | R | 89.3 | Confident | 92.2 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 25% | 0.249 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -91.3 | -12.5 | 174.3 | -61.8 | -168.9 | -62.5 | 171.2 | 0.8 | 113.6 | D472 T474 S516 F517 A518 | D472-R520 IonicContact OD2-NH1 3.32Å; D472-R520 PolarHBondContact OD2-NH1 2.67Å; T474-R520 WeakPolarHBondContact CB-O 3.42Å; T474-R520 HydrophobicContact CG2-CB 4.05Å; T474-R520 VanDerWaalsContact CG2-O 3.31Å; T474-R520 WeakPolarHBondContact CG2-O 3.4Å; T474-R520 PolarHBondContact OG1-O 2.93Å; S516-R520 PolarHBondContact O-N 2.99Å; F517-R520 WeakPolarHBondContact O-CA 3.36Å; F517-R520 WeakPolarHBondContact O-CB 3.4Å; F517-R520 PolarHBondContact O-N 2.81Å; A518-R520 PolarHBondContact O-N 3.24Å |
| 521 | L | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -81.8 | 149.8 | 179.5 | -62.8 | 179.2 | 0 | 0 | 0 | 112.7 | R480 F517 A518 F523 F555 F567 | R480-L521 PolarHBondContact NH2-O 2.81Å; F517-L521 HydrophobicContact CD1-CD1 4.15Å; F517-L521 HydrophobicContact CD1-CG 4.39Å; F517-L521 HydrophobicContact CE1-CD1 3.8Å; F517-L521 HydrophobicContact CE1-CD2 3.97Å; F517-L521 HydrophobicContact CE1-CG 4.11Å; F517-L521 HydrophobicContact CE2-CD2 4.42Å; F517-L521 HydrophobicContact CZ-CD2 3.85Å; F517-L521 HydrophobicContact CZ-CG 4.45Å; F517-L521 PolarHBondContact O-N 3.23Å; A518-L521 PolarHBondContact O-N 3.29Å; L521-F523 HydrophobicContact CB-CE2 4.41Å; L521-F523 HydrophobicContact CB-CZ 4.35Å; L521-F555 HydrophobicContact CD1-CD1 4.34Å; L521-F555 HydrophobicContact CD1-CE1 3.92Å; L521-F555 HydrophobicContact CD1-CZ 4.31Å; L521-F555 HydrophobicContact CD2-CB 4.45Å; L521-F555 HydrophobicContact CD2-CD1 3.48Å; L521-F555 VanDerWaalsContact CD2-CD1 3.48Å; L521-F555 HydrophobicContact CD2-CE1 3.93Å; L521-F555 HydrophobicContact CD2-CG 4.07Å; L521-F567 HydrophobicContact CD1-CD2 3.69Å; L521-F567 HydrophobicContact CD1-CE2 3.14Å; L521-F567 HydrophobicContact CD1-CZ 3.63Å | ||
| 522 | G | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 163.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H476 P553 V554 | H476-G522 VanDerWaalsContact CD2-CA 3.44Å; H476-G522 WeakPolarHBondContact CD2-CA 3.34Å; H476-G522 PolarHBondContact CD2-N 3.03Å; G522-P553 WeakPolarHBondContact O-CA 3.4Å; G522-V554 PolarHBondContact N-O 3.32Å; G522-V554 PolarHBondContact O-N 3.11Å |
| 523 | F | 95.8 | Very high | 92.3 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 13% | 0.127 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 117.2 | 172.7 | -63.2 | -84.4 | 0 | 0 | 0 | 108.6 | L521 I551 E552 P553 F567 L569 L588 L626 F627 | L521-F523 HydrophobicContact CB-CE2 4.41Å; L521-F523 HydrophobicContact CB-CZ 4.35Å; F523-I551 HydrophobicContact CD1-CG2 4.48Å; F523-E552 CarbonylContact C-O 3.57Å; F523-E552 WeakPolarHBondContact CA-O 3.39Å; F523-P553 HydrophobicContact CD1-CB 4.4Å; F523-P553 HydrophobicContact CE1-CB 4.22Å; F523-F567 HydrophobicContact CE1-CZ 4.47Å; F523-L569 HydrophobicContact CE1-CD1 4.05Å; F523-L569 HydrophobicContact CZ-CD1 3.79Å; F523-L588 HydrophobicContact CD1-CD2 3.89Å; F523-L588 HydrophobicContact CE1-CD2 3.69Å; F523-L626 HydrophobicContact CD2-CB 4.1Å; F523-L626 HydrophobicContact CE2-CB 3.75Å; F523-L626 HydrophobicContact CE2-CD1 4.12Å; F523-L626 HydrophobicContact CE2-CD2 4.4Å; F523-L626 HydrophobicContact CE2-CG 4.32Å; F523-L626 HydrophobicContact CZ-CB 4.32Å; F523-L626 HydrophobicContact CZ-CD1 4Å; F523-F627 HydrophobicContact CB-CB 3.85Å; F523-F627 HydrophobicContact CB-CD1 4.33Å; F523-F627 HydrophobicContact CB-CG 4.44Å; F523-F627 HydrophobicContact CD1-CD1 4.36Å; F523-F627 HydrophobicContact CG-CB 4.38Å; F523-F627 HydrophobicContact CG-CD1 4.2Å |
| 524 | T | 95.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 39.1 Ų | 39.1 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.7 | 172.6 | -62 | 0 | 0 | 0 | 0 | 108.4 | T526 I551 E552 V554 | T524-T526 HydrophobicContact CG2-CG2 3.95Å; T524-I551 WeakPolarHBondContact O-CA 3.11Å; T524-E552 PolarHBondContact N-O 2.8Å; T524-E552 PolarHBondContact O-N 3.02Å; T524-V554 WeakPolarHBondContact OG1-CG2 3.2Å |
| 525 | V | 96.6 | Very high | 92.6 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 13% | 0.127 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.1 | 175.2 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | V549 G550 F627 V629 | V525-V549 HydrophobicContact CG1-CG1 3.91Å; V525-G550 WeakPolarHBondContact CA-O 3.24Å; V525-F627 HydrophobicContact CG2-CB 4.09Å; V525-F627 HydrophobicContact CG2-CD2 4.05Å; V525-F627 HydrophobicContact CG2-CG 4.32Å; V525-V629 HydrophobicContact CG1-CB 4.37Å; V525-V629 HydrophobicContact CG1-CG1 4.2Å; V525-V629 HydrophobicContact CG1-CG2 3.86Å |
| 526 | T | 97.1 | Very high | 93 | Very high | 49 Ų | 49 | 34.6 Ų | 34.6 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.5 | 179 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | T524 V549 G550 | T524-T526 HydrophobicContact CG2-CG2 3.95Å; T526-V549 CarbonylContact O-C 3.6Å; T526-V549 VanDerWaalsContact O-CA 3.24Å; T526-V549 WeakPolarHBondContact O-CA 2.89Å; T526-G550 PolarHBondContact N-O 3.29Å; T526-G550 PolarHBondContact O-N 3.39Å |
| 527 | V | 96.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 34 Ų | 34 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -125 | 81.6 | 174.2 | -172 | 0 | 0 | 0 | 0 | 107.5 | N529 N530 I533 H547 V549 V629 | V527-N529 PolarHBondContact O-N 2.8Å; V527-N530 HydrophobicContact CB-CB 4.35Å; V527-N530 PolarHBondContact N-O 3.44Å; V527-N530 WeakPolarHBondContact O-CB 3.4Å; V527-N530 PolarHBondContact O-N 3.29Å; V527-I533 HydrophobicContact CG1-CG1 3.92Å; V527-I533 HydrophobicContact CG2-CG1 4.28Å; V527-H547 HydrophobicContact CG1-CB 4.29Å; V527-V549 HydrophobicContact CG2-CG1 4.31Å; V527-V549 HydrophobicContact CG2-CG2 3.97Å; V527-V629 HydrophobicContact CG2-CG1 4.45Å |
| 528 | G | 91.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 32.7 Ų | 32.7 | 61% | 0.608 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -118.2 | -162.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 529 | N | 89.3 | Confident | 94 | Very high | 168 Ų | 168 | 38.5 Ų | 38.5 | 90% | 0.898 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 2.7 | 175.3 | -64.1 | -9.4 | 0 | 0 | 0 | 113.4 | V527 | V527-N529 PolarHBondContact O-N 2.8Š|
| 530 | N | 95.4 | Very high | 94.3 | Very high | 71 Ų | 71 | 42.3 Ų | 42.3 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -102 | 166.7 | -175.5 | -71.5 | -2.6 | 0 | 0 | 0 | 111.5 | D417 V527 | D417-N530 HydrophobicContact CB-CB 4.28Å; D417-N530 VanDerWaalsContact O-CB 3.32Å; D417-N530 WeakPolarHBondContact O-CB 3.48Å; V527-N530 HydrophobicContact CB-CB 4.35Å; V527-N530 PolarHBondContact N-O 3.44Å; V527-N530 WeakPolarHBondContact O-CB 3.4Å; V527-N530 PolarHBondContact O-N 3.29Å |
| 531 | R | 96.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 40.2 Ų | 40.2 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -104 | -7.4 | 178.2 | -67.5 | 179.5 | -60.8 | 156.6 | 6.2 | 113.4 | T376 S378 D417 A419 | T376-R531 PolarHBondContact O-NH1 2.9Å; T376-R531 VanDerWaalsContact O-NH1 3.15Å; T376-R531 PolarHBondContact O-NH2 2.63Å; T376-R531 VanDerWaalsContact O-NH2 3.15Å; S378-R531 WeakPolarHBondContact OG-CD 3.25Å; D417-R531 PolarHBondContact O-N 2.69Å; D417-R531 IonicContact OD1-CZ 2.7Å; D417-R531 IonicContact OD1-NE 3.93Å; D417-R531 IonicContact OD1-NH2 3.49Å; D417-R531 PolarHBondContact OD1-NH2 3.47Å; D417-R531 IonicContact OD2-CZ 3.47Å; D417-R531 IonicContact OD2-NE 3.79Å; D417-R531 PolarHBondContact OD2-NE 3.42Å; D417-R531 IonicContact OD2-NH2 2.86Å; D417-R531 PolarHBondContact OD2-NH2 3.4Å; D417-R531 VanDerWaalsContact OD2-NH2 3.16Å; A419-R531 HydrophobicContact CB-CB 3.88Å |
| 532 | G | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -159.2 | 178 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D417 P630 | D417-G532 PolarHBondContact O-N 3.19Å; G532-P630 WeakPolarHBondContact CA-O 3.23Å |
| 533 | I | 98.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 115.2 | 176.8 | -59.7 | 168.5 | 0 | 0 | 0 | 107.9 | V527 L535 H547 I597 V599 P630 I631 T632 | V527-I533 HydrophobicContact CG1-CG1 3.92Å; V527-I533 HydrophobicContact CG2-CG1 4.28Å; I533-L535 HydrophobicContact CG2-CD2 4.2Å; I533-L535 HydrophobicContact CG2-CG 4.21Å; I533-H547 HydrophobicContact CD1-CB 3.6Å; I533-H547 HydrophobicContact CG1-CB 4.08Å; I533-I597 HydrophobicContact CD1-CB 4.19Å; I533-I597 HydrophobicContact CD1-CG2 4.1Å; I533-V599 HydrophobicContact CD1-CG2 4.21Å; I533-V599 HydrophobicContact CG2-CG2 4.24Å; I533-P630 PolarHBondContact N-O 3.26Å; I533-I631 HydrophobicContact CB-CB 4.46Å; I533-I631 HydrophobicContact CB-CG1 4.23Å; I533-I631 HydrophobicContact CB-CG2 4.13Å; I533-I631 HydrophobicContact CD1-CD1 4.18Å; I533-I631 HydrophobicContact CD1-CG1 4.1Å; I533-I631 HydrophobicContact CG2-CG2 4.22Å; I533-I631 CarbonylContact O-C 3.59Å; I533-I631 WeakPolarHBondContact O-CA 3.21Å; I533-T632 PolarHBondContact O-N 3.36Å |
| 534 | Y | 97.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 9% | 0.09 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 110.2 | 176.8 | -172.1 | -157.1 | 0 | 0 | 0 | 111.6 | P414 R536 T632 V634 L695 | P414-Y534 HydrophobicContact CG-CD1 4.13Å; P414-Y534 HydrophobicContact CG-CD2 4.13Å; P414-Y534 HydrophobicContact CG-CE1 3.84Å; P414-Y534 HydrophobicContact CG-CE2 3.84Å; P414-Y534 HydrophobicContact CG-CG 4.26Å; Y534-R536 HydrophobicContact CD2-CB 4.44Å; Y534-R536 HydrophobicContact CE1-CB 4.28Å; Y534-R536 HydrophobicContact CE2-CB 3.98Å; Y534-R536 HydrophobicContact CE2-CG 4.35Å; Y534-R536 VanDerWaalsContact OH-CD 3.31Å; Y534-R536 WeakPolarHBondContact OH-CD 3.48Å; Y534-R536 PolarHBondContact OH-NH1 2.89Å; Y534-T632 WeakPolarHBondContact CA-O 3.37Å; Y534-T632 HydrophobicContact CD2-CG2 3.86Å; Y534-T632 HydrophobicContact CE2-CG2 3.69Å; Y534-V634 HydrophobicContact CE2-CG2 4.06Å; Y534-L695 HydrophobicContact CE1-CD1 3.99Å |
| 535 | L | 96.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 104.4 | 177.5 | -48.6 | 179.7 | 0 | 0 | 0 | 108 | I533 Q540 V541 V599 T632 A633 V634 | I533-L535 HydrophobicContact CG2-CD2 4.2Å; I533-L535 HydrophobicContact CG2-CG 4.21Å; L535-Q540 HydrophobicContact CB-CB 4.12Å; L535-Q540 HydrophobicContact CD2-CB 4.19Å; L535-V541 HydrophobicContact CB-CG1 3.66Å; L535-V599 HydrophobicContact CD1-CB 4.32Å; L535-V599 HydrophobicContact CD1-CG1 3.75Å; L535-T632 PolarHBondContact N-O 2.98Å; L535-A633 CarbonylContact O-C 3.59Å; L535-A633 WeakPolarHBondContact O-CA 3.17Å; L535-V634 PolarHBondContact O-N 3.34Å |
| 536 | R | 94.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | trans | -115.5 | -41.9 | -175 | -167 | -177.9 | -178.2 | 125.7 | -3.1 | 113.4 | S368 Y534 V634 A729 E731 | S368-R536 PolarHBondContact OG-NH1 3.12Å; Y534-R536 HydrophobicContact CD2-CB 4.44Å; Y534-R536 HydrophobicContact CE1-CB 4.28Å; Y534-R536 HydrophobicContact CE2-CB 3.98Å; Y534-R536 HydrophobicContact CE2-CG 4.35Å; Y534-R536 VanDerWaalsContact OH-CD 3.31Å; Y534-R536 WeakPolarHBondContact OH-CD 3.48Å; Y534-R536 PolarHBondContact OH-NH1 2.89Å; R536-V634 HydrophobicContact CG-CB 4.42Å; R536-V634 HydrophobicContact CG-CG2 4.37Å; R536-A729 HydrophobicContact CG-CB 4.48Å; R536-A729 WeakPolarHBondContact O-CB 3.38Å; R536-E731 IonicContact CZ-OE2 2.66Å; R536-E731 IonicContact NH1-OE2 2.92Å; R536-E731 IonicContact NH2-OE2 2.85Å; R536-E731 PolarHBondContact NH2-OE2 2.94Å | ||
| 537 | D | 92.5 | Very high | 94.9 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -82.7 | 148.7 | -176.8 | -81.1 | -25.8 | 0 | 0 | 0 | 111.1 | V539 Q540 K728 A729 | D537-V539 PolarHBondContact O-N 3.26Å; D537-V539 VanDerWaalsContact O-N 3.11Å; D537-Q540 HydrophobicContact CB-CG 4.3Å; D537-Q540 WeakPolarHBondContact O-CA 3.44Å; D537-Q540 VanDerWaalsContact O-CB 3.3Å; D537-Q540 WeakPolarHBondContact O-CB 3.23Å; D537-Q540 PolarHBondContact O-N 3Å; D537-K728 IonicContact OD2-NZ 3.4Å; D537-K728 PolarHBondContact OD2-NZ 3.28Å; D537-A729 PolarHBondContact OD1-N 2.9Å |
| 538 | P | 88.8 | Confident | 94.9 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.2 | -38.3 | -174.6 | -27.2 | 33.1 | 0 | 0 | 0 | 114.4 | Q540 V541 A542 E665 | P538-Q540 PolarHBondContact O-N 3.29Å; P538-V541 WeakPolarHBondContact O-CG2 3.32Å; P538-V541 PolarHBondContact O-N 3.19Å; P538-A542 PolarHBondContact O-N 3.34Å; P538-E665 HydrophobicContact CG-CB 4.14Å; P538-E665 HydrophobicContact CG-CG 3.67Å |
| 539 | V | 91.7 | Very high | 95.3 | Very high | 133 Ų | 133 | 46.4 Ų | 46.4 | 81% | 0.806 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.7 | -32.7 | 178.1 | 179 | 0 | 0 | 0 | 0 | 111.8 | D537 V541 | D537-V539 PolarHBondContact O-N 3.26Å; D537-V539 VanDerWaalsContact O-N 3.11Å; V539-V541 VanDerWaalsContact C-N 3.34Å |
| 540 | Q | 93.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 38.4 Ų | 38.4 | 39% | 0.388 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76 | -23.4 | -177.9 | -58.8 | 177.7 | -42 | 0 | 0 | 112.6 | L535 D537 P538 | L535-Q540 HydrophobicContact CB-CB 4.12Å; L535-Q540 HydrophobicContact CD2-CB 4.19Å; D537-Q540 HydrophobicContact CB-CG 4.3Å; D537-Q540 WeakPolarHBondContact O-CA 3.44Å; D537-Q540 VanDerWaalsContact O-CB 3.3Å; D537-Q540 WeakPolarHBondContact O-CB 3.23Å; D537-Q540 PolarHBondContact O-N 3Å; P538-Q540 PolarHBondContact O-N 3.29Å |
| 541 | V | 94.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 35 Ų | 35 | 13% | 0.127 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -106.4 | 3.4 | -177.8 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | L535 P538 V539 A543 P601 I635 | L535-V541 HydrophobicContact CB-CG1 3.66Å; P538-V541 WeakPolarHBondContact O-CG2 3.32Å; P538-V541 PolarHBondContact O-N 3.19Å; V539-V541 VanDerWaalsContact C-N 3.34Å; V541-A543 PolarHBondContact O-N 2.91Å; V541-P601 HydrophobicContact CB-CB 4.15Å; V541-P601 HydrophobicContact CB-CG 4.11Å; V541-P601 HydrophobicContact CG1-CB 4.39Å; V541-P601 WeakPolarHBondContact O-CG 3.33Å; V541-I635 HydrophobicContact CB-CD1 3.87Å; V541-I635 HydrophobicContact CG1-CD1 4.09Å; V541-I635 HydrophobicContact CG2-CD1 4.13Å |
| 542 | A | 93.1 | Very high | 95.9 | Very high | 73 Ų | 73 | 37.7 Ų | 37.7 | 60% | 0.603 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -72.6 | -25.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | P538 | P538-A542 PolarHBondContact O-N 3.34Š|
| 543 | A | 95.8 | Very high | 95.8 | Very high | 53 Ų | 53 | 38 Ų | 38 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -147.3 | 161.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V541 | V541-A543 PolarHBondContact O-N 2.91Š|
| 544 | P | 97.3 | Very high | 95.6 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | trans | -61.8 | 143.1 | 172.2 | -15.7 | 28.2 | 0 | 0 | 0 | 111.2 | V599 D600 R602 | P544-V599 CarbonylContact C-O 2.93Å; P544-V599 VanDerWaalsContact CA-O 3.25Å; P544-V599 WeakPolarHBondContact CA-O 3.39Å; P544-D600 HydrophobicContact CB-CB 4.21Å; P544-D600 HydrophobicContact CG-CB 4.35Å; P544-R602 VanDerWaalsContact CG-CZ 3.41Å; P544-R602 VanDerWaalsContact CG-NH2 3.31Å | ||
| 545 | S | 97.3 | Very high | 95.3 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142.9 | 177.9 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | H547 R598 V599 | S545-H547 PolarHBondContact OG-NE2 2.87Å; S545-R598 WeakPolarHBondContact O-CA 3.34Å; S545-V599 PolarHBondContact N-O 2.86Å; S545-V599 PolarHBondContact O-N 3.41Å |
| 546 | D | 97.4 | Very high | 95 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.6 | 175.7 | -70 | -58.2 | 0 | 0 | 0 | 109 | N596 R598 | D546-N596 WeakPolarHBondContact CB-OD1 3.39Å; D546-R598 VanDerWaalsContact OD1-CB 3.24Å; D546-R598 WeakPolarHBondContact OD1-CB 3.47Å; D546-R598 VanDerWaalsContact OD1-CG 3.28Å; D546-R598 WeakPolarHBondContact OD1-CG 3.35Å; D546-R598 IonicContact OD1-NH1 2.81Å; D546-R598 IonicContact OD2-NH1 3.91Å; D546-R598 PolarHBondContact OD2-NH1 2.74Å |
| 547 | H | 97.9 | Very high | 94.4 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.8 | -175.3 | -63.2 | -89.3 | 0 | 0 | 0 | 110.3 | V527 I533 S545 V549 N596 I597 | V527-H547 HydrophobicContact CG1-CB 4.29Å; I533-H547 HydrophobicContact CD1-CB 3.6Å; I533-H547 HydrophobicContact CG1-CB 4.08Å; S545-H547 PolarHBondContact OG-NE2 2.87Å; H547-V549 PolarHBondContact O-N 2.77Å; H547-N596 PolarHBondContact N-OD1 2.7Å; H547-N596 WeakPolarHBondContact O-CA 3.35Å; H547-I597 PolarHBondContact N-O 2.82Å; H547-I597 PolarHBondContact O-N 2.88Å |
| 548 | G | 97.9 | Very high | 94.1 | Very high | 44 Ų | 44 | 52 Ų | 52 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 122.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 549 | V | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.7 | 179 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | V525 T526 V527 H547 I551 H594 I595 I597 V629 | V525-V549 HydrophobicContact CG1-CG1 3.91Å; T526-V549 CarbonylContact O-C 3.6Å; T526-V549 VanDerWaalsContact O-CA 3.24Å; T526-V549 WeakPolarHBondContact O-CA 2.89Å; V527-V549 HydrophobicContact CG2-CG1 4.31Å; V527-V549 HydrophobicContact CG2-CG2 3.97Å; H547-V549 PolarHBondContact O-N 2.77Å; V549-I551 HydrophobicContact CG1-CD1 4Å; V549-H594 CarbonylContact O-C 3.56Å; V549-H594 VanDerWaalsContact O-CA 3.28Å; V549-H594 WeakPolarHBondContact O-CA 3.44Å; V549-I595 HydrophobicContact CB-CG1 3.96Å; V549-I595 PolarHBondContact N-O 3.33Å; V549-I595 PolarHBondContact O-N 3.21Å; V549-I597 HydrophobicContact CB-CD1 4.35Å; V549-I597 HydrophobicContact CG2-CB 4.46Å; V549-I597 HydrophobicContact CG2-CD1 3.62Å; V549-I597 HydrophobicContact CG2-CG1 3.96Å; V549-V629 HydrophobicContact CG1-CG1 4.1Å; V549-V629 HydrophobicContact CG1-CG2 3.98Å; V549-V629 HydrophobicContact CG2-CG1 4.3Å |
| 550 | G | 98.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 132.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V525 T526 | V525-G550 WeakPolarHBondContact CA-O 3.24Å; T526-G550 PolarHBondContact N-O 3.29Å; T526-G550 PolarHBondContact O-N 3.39Å |
| 551 | I | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.5 | 172.3 | -60.3 | 92.8 | 0 | 0 | 0 | 107.6 | F523 T524 V549 L586 L588 C592 R593 I595 F627 | F523-I551 HydrophobicContact CD1-CG2 4.48Å; T524-I551 WeakPolarHBondContact O-CA 3.11Å; V549-I551 HydrophobicContact CG1-CD1 4Å; I551-L586 HydrophobicContact CD1-CD2 4.31Å; I551-L588 HydrophobicContact CG2-CD2 3.98Å; I551-C592 WeakPolarHBondContact O-CA 3.2Å; I551-R593 PolarHBondContact N-O 2.72Å; I551-R593 PolarHBondContact O-N 3.28Å; I551-I595 HydrophobicContact CD1-CD1 3.7Å; I551-I595 HydrophobicContact CD1-CG1 3.67Å; I551-I595 HydrophobicContact CD1-CG2 4.42Å; I551-F627 HydrophobicContact CG1-CD2 4.41Å; I551-F627 HydrophobicContact CG1-CE2 3.9Å; I551-F627 HydrophobicContact CG1-CZ 4.03Å; I551-F627 HydrophobicContact CG2-CD1 4.08Å; I551-F627 HydrophobicContact CG2-CE1 3.83Å; I551-F627 HydrophobicContact CG2-CE2 4.44Å; I551-F627 HydrophobicContact CG2-CG 4.47Å; I551-F627 HydrophobicContact CG2-CZ 4.03Å |
| 552 | E | 96.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 55.3 Ų | 55.3 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.3 | -177.6 | -174.9 | 163 | -145.8 | 0 | 0 | 111.1 | F523 T524 C592 | F523-E552 CarbonylContact C-O 3.57Å; F523-E552 WeakPolarHBondContact CA-O 3.39Å; T524-E552 PolarHBondContact N-O 2.8Å; T524-E552 PolarHBondContact O-N 3.02Å; E552-C592 HydrophobicContact CB-CB 3.9Å; E552-C592 HydrophobicContact CG-CB 4.07Å |
| 553 | P | 96.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 136.6 | 173.6 | 29.7 | -35.2 | 0 | 0 | 0 | 111 | G522 F523 F555 F567 M589 | G522-P553 WeakPolarHBondContact O-CA 3.4Å; F523-P553 HydrophobicContact CD1-CB 4.4Å; F523-P553 HydrophobicContact CE1-CB 4.22Å; P553-F555 HydrophobicContact CB-CE2 3.82Å; P553-F555 HydrophobicContact CB-CZ 4.24Å; P553-F555 HydrophobicContact CG-CE2 3.76Å; P553-F555 HydrophobicContact CG-CZ 4.3Å; P553-F567 HydrophobicContact CB-CE1 3.81Å; P553-F567 HydrophobicContact CB-CZ 4.05Å; P553-F567 HydrophobicContact CG-CD1 4.41Å; P553-F567 HydrophobicContact CG-CE1 3.81Å; P553-M589 WeakPolarHBondContact CG-O 3.28Å |
| 554 | V | 93.9 | Very high | 94 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 22% | 0.218 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.4 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | G522 T524 | G522-V554 PolarHBondContact N-O 3.32Å; G522-V554 PolarHBondContact O-N 3.11Å; T524-V554 WeakPolarHBondContact OG1-CG2 3.2Å |
| 555 | F | 92 | Very high | 93.8 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | trans | -94.4 | 142.3 | -179.4 | -65.3 | -93.4 | 0 | 0 | 0 | 110.9 | F517 L521 P553 T559 K564 F567 N590 | F517-F555 HydrophobicContact CE1-CD1 4.3Å; F517-F555 AromaticContact CE1-CE1 3.9Å; F517-F555 HydrophobicContact CE1-CE1 3.9Å; F517-F555 AromaticContact CZ-CD1 3.95Å; F517-F555 HydrophobicContact CZ-CD1 3.95Å; F517-F555 HydrophobicContact CZ-CE1 4Å; L521-F555 HydrophobicContact CD1-CD1 4.34Å; L521-F555 HydrophobicContact CD1-CE1 3.92Å; L521-F555 HydrophobicContact CD1-CZ 4.31Å; L521-F555 HydrophobicContact CD2-CB 4.45Å; L521-F555 HydrophobicContact CD2-CD1 3.48Å; L521-F555 VanDerWaalsContact CD2-CD1 3.48Å; L521-F555 HydrophobicContact CD2-CE1 3.93Å; L521-F555 HydrophobicContact CD2-CG 4.07Å; P553-F555 HydrophobicContact CB-CE2 3.82Å; P553-F555 HydrophobicContact CB-CZ 4.24Å; P553-F555 HydrophobicContact CG-CE2 3.76Å; P553-F555 HydrophobicContact CG-CZ 4.3Å; F555-T559 HydrophobicContact CB-CG2 4.47Å; F555-T559 HydrophobicContact CD1-CG2 3.88Å; F555-K564 HydrophobicContact CD1-CG 3.99Å; F555-K564 HydrophobicContact CE1-CG 4.1Å; F555-K564 HydrophobicContact CG-CG 4.19Å; F555-K564 HydrophobicContact CZ-CG 4.46Å; F555-F567 HydrophobicContact CE1-CB 4.26Å; F555-F567 HydrophobicContact CE1-CD2 4.4Å; F555-F567 HydrophobicContact CE1-CG 4.17Å; F555-F567 HydrophobicContact CZ-CB 4.04Å; F555-F567 AromaticContact CZ-CD1 3.83Å; F555-F567 HydrophobicContact CZ-CD1 3.83Å; F555-F567 HydrophobicContact CZ-CD2 4.36Å; F555-F567 HydrophobicContact CZ-CE1 4.34Å; F555-F567 AromaticContact CZ-CG 3.8Å; F555-F567 HydrophobicContact CZ-CG 3.8Å; F555-N590 HydrophobicContact CE2-CB 3.89Å; F555-N590 VanDerWaalsContact CE2-CG 3.46Å; F555-N590 WeakPolarHBondContact CE2-OD1 3.35Å; F555-N590 HydrophobicContact CZ-CB 3.94Å | ||
| 556 | P | 88.9 | Confident | 93.6 | Very high | 47 Ų | 47 | 63.4 Ų | 63.4 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | trans | -51.7 | 144.5 | 165.1 | -26 | 33.6 | 0 | 0 | 0 | 111.8 | T474 N558 T559 | T474-P556 HydrophobicContact CG2-CG 4.17Å; P556-N558 VanDerWaalsContact C-N 3.26Å; P556-N558 PolarHBondContact O-N 3Å; P556-N558 VanDerWaalsContact O-N 3.15Å; P556-T559 VanDerWaalsContact CD-OG1 3.29Å; P556-T559 WeakPolarHBondContact CD-OG1 3.47Å; P556-T559 VanDerWaalsContact O-CB 3.29Å; P556-T559 WeakPolarHBondContact O-CB 3.43Å; P556-T559 PolarHBondContact O-N 3.03Å; P556-T559 PolarHBondContact O-OG1 3.02Å | ||
| 557 | E | 82.9 | Confident | 93.4 | Very high | 109 Ų | 109 | 59.8 Ų | 59.8 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -39.5 | -170.4 | -167.7 | 162.1 | -153.3 | 0 | 0 | 113 | K351 T559 | K351-E557 WeakPolarHBondContact CB-OE2 3.38Å; K351-E557 IonicContact NZ-OE1 3.44Å; E557-T559 VanDerWaalsContact C-N 3.33Å; E557-T559 PolarHBondContact O-N 2.77Å |
| 558 | N | 85 | Confident | 93.3 | Very high | 153 Ų | 153 | 63.2 Ų | 63.2 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 19.8 | -179.1 | -60 | -40.9 | 0 | 0 | 0 | 114.2 | P556 E560 | P556-N558 VanDerWaalsContact C-N 3.26Å; P556-N558 PolarHBondContact O-N 3Å; P556-N558 VanDerWaalsContact O-N 3.15Å; N558-E560 PolarHBondContact O-N 3.46Å |
| 559 | T | 89.8 | Confident | 93.1 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 8% | 0.08 | 33% | 0.326 | C | S | . | . | trans | -68.8 | 128.1 | 176 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | F517 F555 P556 E557 E563 K564 | F517-T559 HydrophobicContact CE2-CG2 4.19Å; F517-T559 HydrophobicContact CZ-CG2 3.82Å; F555-T559 HydrophobicContact CB-CG2 4.47Å; F555-T559 HydrophobicContact CD1-CG2 3.88Å; P556-T559 VanDerWaalsContact CD-OG1 3.29Å; P556-T559 WeakPolarHBondContact CD-OG1 3.47Å; P556-T559 VanDerWaalsContact O-CB 3.29Å; P556-T559 WeakPolarHBondContact O-CB 3.43Å; P556-T559 PolarHBondContact O-N 3.03Å; P556-T559 PolarHBondContact O-OG1 3.02Å; E557-T559 VanDerWaalsContact C-N 3.33Å; E557-T559 PolarHBondContact O-N 2.77Å; T559-E563 HydrophobicContact CG2-CB 4Å; T559-E563 WeakPolarHBondContact CG2-OE2 3.34Å; T559-K564 HydrophobicContact CG2-CG 4.03Å; T559-K564 VanDerWaalsContact O-CE 3.25Å; T559-K564 WeakPolarHBondContact O-CE 3.5Å; T559-K564 PolarHBondContact O-NZ 3.37Å | ||
| 560 | E | 92.6 | Very high | 93 | Very high | 127 Ų | 127 | 66.2 Ų | 66.2 | 59% | 0.593 | 35% | 0.347 | S | S | * | . | trans | -59.7 | 143.5 | 178.9 | -72.2 | -62.1 | 150.4 | 0 | 0 | 112.5 | N558 S562 E563 K564 | N558-E560 PolarHBondContact O-N 3.46Å; E560-S562 PolarHBondContact O-N 2.97Å; E560-E563 HydrophobicContact CB-CG 4.28Å; E560-E563 PolarHBondContact O-N 3.32Å; E560-E563 VanDerWaalsContact O-N 3.15Å; E560-K564 PolarHBondContact O-N 3.22Å; E560-K564 VanDerWaalsContact O-N 3.16Å | ||
| 561 | N | 94.3 | Very high | 93 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.4 | -30 | -179.6 | -74.3 | -25.4 | 0 | 0 | 0 | 112.4 | K564 I565 | N561-K564 PolarHBondContact O-N 3.12Å; N561-I565 WeakPolarHBondContact O-CB 3.23Å; N561-I565 WeakPolarHBondContact O-CD1 3.46Å; N561-I565 WeakPolarHBondContact O-CG1 3.33Å; N561-I565 PolarHBondContact O-N 2.71Å |
| 562 | S | 94.1 | Very high | 93 | Very high | 79 Ų | 79 | 67.5 Ų | 67.5 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 174.1 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | E560 I565 S566 | E560-S562 PolarHBondContact O-N 2.97Å; S562-I565 PolarHBondContact O-N 3.18Å; S562-S566 WeakPolarHBondContact O-CB 3.16Å; S562-S566 PolarHBondContact O-N 2.82Å; S562-S566 PolarHBondContact O-OG 3.2Å |
| 563 | E | 91.3 | Very high | 93 | Very high | 73 Ų | 73 | 63.7 Ų | 63.7 | 34% | 0.341 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 176.1 | -67.1 | -170.4 | 151.6 | 0 | 0 | 110.8 | F517 T559 E560 I565 S566 F567 | F517-E563 VanDerWaalsContact CE2-OE2 3.27Å; F517-E563 WeakPolarHBondContact CE2-OE2 3.26Å; F517-E563 HydrophobicContact CZ-CB 4.14Å; T559-E563 HydrophobicContact CG2-CB 4Å; T559-E563 WeakPolarHBondContact CG2-OE2 3.34Å; E560-E563 HydrophobicContact CB-CG 4.28Å; E560-E563 PolarHBondContact O-N 3.32Å; E560-E563 VanDerWaalsContact O-N 3.15Å; E563-I565 VanDerWaalsContact C-N 3.34Å; E563-I565 PolarHBondContact O-N 2.9Å; E563-S566 WeakPolarHBondContact CA-OG 3.34Å; E563-S566 PolarHBondContact O-N 3.39Å; E563-S566 PolarHBondContact O-OG 2.7Å; E563-F567 PolarHBondContact O-N 3.12Å |
| 564 | K | 93.4 | Very high | 93 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 22% | 0.217 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 175.9 | -70.6 | 176.7 | -173.5 | 164.6 | 0 | 112.9 | F555 T559 E560 N561 N590 | F555-K564 HydrophobicContact CD1-CG 3.99Å; F555-K564 HydrophobicContact CE1-CG 4.1Å; F555-K564 HydrophobicContact CG-CG 4.19Å; F555-K564 HydrophobicContact CZ-CG 4.46Å; T559-K564 HydrophobicContact CG2-CG 4.03Å; T559-K564 VanDerWaalsContact O-CE 3.25Å; T559-K564 WeakPolarHBondContact O-CE 3.5Å; T559-K564 PolarHBondContact O-NZ 3.37Å; E560-K564 PolarHBondContact O-N 3.22Å; E560-K564 VanDerWaalsContact O-N 3.16Å; N561-K564 PolarHBondContact O-N 3.12Å; K564-N590 WeakPolarHBondContact O-CB 3.5Å |
| 565 | I | 94.1 | Very high | 93.1 | Very high | 146 Ų | 146 | 65.9 Ų | 65.9 | 75% | 0.749 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.1 | -40.1 | 178.1 | -69.7 | 163.8 | 0 | 0 | 0 | 110.8 | N561 S562 E563 F567 | N561-I565 WeakPolarHBondContact O-CB 3.23Å; N561-I565 WeakPolarHBondContact O-CD1 3.46Å; N561-I565 WeakPolarHBondContact O-CG1 3.33Å; N561-I565 PolarHBondContact O-N 2.71Å; S562-I565 PolarHBondContact O-N 3.18Å; E563-I565 VanDerWaalsContact C-N 3.34Å; E563-I565 PolarHBondContact O-N 2.9Å; I565-F567 PolarHBondContact O-N 2.98Å |
| 566 | S | 92.9 | Very high | 93 | Very high | 91 Ų | 91 | 71.5 Ų | 71.5 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -74.9 | -9.6 | -179.9 | 69.8 | 0 | 0 | 0 | 0 | 114.1 | S562 E563 Q568 | S562-S566 WeakPolarHBondContact O-CB 3.16Å; S562-S566 PolarHBondContact O-N 2.82Å; S562-S566 PolarHBondContact O-OG 3.2Å; E563-S566 WeakPolarHBondContact CA-OG 3.34Å; E563-S566 PolarHBondContact O-N 3.39Å; E563-S566 PolarHBondContact O-OG 2.7Å; S566-Q568 PolarHBondContact O-N 3.48Å |
| 567 | F | 93.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 70.5 Ų | 70.5 | 6% | 0.057 | 38% | 0.38 | C | S | . | . | trans | -70.3 | 115 | -174.9 | 179.2 | -102.2 | 0 | 0 | 0 | 111.8 | F517 L521 F523 P553 F555 E563 I565 L569 L588 | F517-F567 HydrophobicContact CD1-CD2 4.4Å; F517-F567 HydrophobicContact CE1-CD2 4.18Å; L521-F567 HydrophobicContact CD1-CD2 3.69Å; L521-F567 HydrophobicContact CD1-CE2 3.14Å; L521-F567 HydrophobicContact CD1-CZ 3.63Å; F523-F567 HydrophobicContact CE1-CZ 4.47Å; P553-F567 HydrophobicContact CB-CE1 3.81Å; P553-F567 HydrophobicContact CB-CZ 4.05Å; P553-F567 HydrophobicContact CG-CD1 4.41Å; P553-F567 HydrophobicContact CG-CE1 3.81Å; F555-F567 HydrophobicContact CE1-CB 4.26Å; F555-F567 HydrophobicContact CE1-CD2 4.4Å; F555-F567 HydrophobicContact CE1-CG 4.17Å; F555-F567 HydrophobicContact CZ-CB 4.04Å; F555-F567 AromaticContact CZ-CD1 3.83Å; F555-F567 HydrophobicContact CZ-CD1 3.83Å; F555-F567 HydrophobicContact CZ-CD2 4.36Å; F555-F567 HydrophobicContact CZ-CE1 4.34Å; F555-F567 AromaticContact CZ-CG 3.8Å; F555-F567 HydrophobicContact CZ-CG 3.8Å; E563-F567 PolarHBondContact O-N 3.12Å; I565-F567 PolarHBondContact O-N 2.98Å; F567-L569 HydrophobicContact CD2-CG 4.45Å; F567-L569 HydrophobicContact CE1-CD1 4.35Å; F567-L569 HydrophobicContact CE1-CG 4.3Å; F567-L569 HydrophobicContact CE2-CD1 3.57Å; F567-L569 HydrophobicContact CE2-CD2 4.16Å; F567-L569 HydrophobicContact CE2-CG 3.51Å; F567-L569 HydrophobicContact CZ-CB 4.39Å; F567-L569 HydrophobicContact CZ-CD1 3.28Å; F567-L569 HydrophobicContact CZ-CG 3.46Å; F567-L569 VanDerWaalsContact CZ-CG 3.46Å; F567-L588 HydrophobicContact CE1-CG 4.45Å | ||
| 568 | Q | 94.3 | Very high | 93.9 | Very high | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 116.7 | 175.9 | -170.3 | 177.9 | 12.6 | 0 | 0 | 108.9 | S566 E587 | S566-Q568 PolarHBondContact O-N 3.48Å; Q568-E587 HydrophobicContact CG-CG 4.45Å; Q568-E587 PolarHBondContact NE2-OE1 3Å |
| 569 | L | 94.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 65.1 Ų | 65.1 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.3 | 176.2 | -69.6 | -177.6 | 0 | 0 | 0 | 111.2 | A518 F523 F567 L571 E587 L588 L626 | A518-L569 HydrophobicContact CB-CD1 4.28Å; A518-L569 HydrophobicContact CB-CD2 3.71Å; F523-L569 HydrophobicContact CE1-CD1 4.05Å; F523-L569 HydrophobicContact CZ-CD1 3.79Å; F567-L569 HydrophobicContact CD2-CG 4.45Å; F567-L569 HydrophobicContact CE1-CD1 4.35Å; F567-L569 HydrophobicContact CE1-CG 4.3Å; F567-L569 HydrophobicContact CE2-CD1 3.57Å; F567-L569 HydrophobicContact CE2-CD2 4.16Å; F567-L569 HydrophobicContact CE2-CG 3.51Å; F567-L569 HydrophobicContact CZ-CB 4.39Å; F567-L569 HydrophobicContact CZ-CD1 3.28Å; F567-L569 HydrophobicContact CZ-CG 3.46Å; F567-L569 VanDerWaalsContact CZ-CG 3.46Å; L569-L571 HydrophobicContact CB-CD2 4.24Å; L569-L571 HydrophobicContact CB-CG 4.19Å; L569-L571 HydrophobicContact CD1-CD2 4.44Å; L569-E587 WeakPolarHBondContact O-CA 3.4Å; L569-L588 HydrophobicContact CB-CB 4.39Å; L569-L588 PolarHBondContact N-O 3.24Å; L569-L588 PolarHBondContact O-N 3.18Å; L569-L626 HydrophobicContact CD1-CD1 4.08Å |
| 570 | H | 96.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 64.9 Ų | 64.9 | 44% | 0.44 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 107.8 | 172.4 | -53.6 | 111 | 0 | 0 | 0 | 108.4 | I618 | H570-I618 HydrophobicContact CB-CD1 4.15Å; H570-I618 WeakPolarHBondContact O-CB 3.5Å; H570-I618 WeakPolarHBondContact O-CG1 3.42Å; H570-I618 PolarHBondContact O-N 2.79Å |
| 571 | L | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.8 | -171.5 | -57.3 | 165.5 | 0 | 0 | 0 | 110.7 | L569 H585 L586 L588 Y616 L626 F627 | L569-L571 HydrophobicContact CB-CD2 4.24Å; L569-L571 HydrophobicContact CB-CG 4.19Å; L569-L571 HydrophobicContact CD1-CD2 4.44Å; L571-H585 CarbonylContact O-C 3.48Å; L571-H585 VanDerWaalsContact O-CA 3.28Å; L571-H585 WeakPolarHBondContact O-CA 3.1Å; L571-L586 HydrophobicContact CB-CB 4.31Å; L571-L586 WeakPolarHBondContact CB-O 3.38Å; L571-L586 HydrophobicContact CD1-CD2 4.13Å; L571-L586 HydrophobicContact CD1-CG 4.36Å; L571-L586 PolarHBondContact N-O 2.68Å; L571-L586 PolarHBondContact O-N 2.84Å; L571-L588 HydrophobicContact CD1-CB 3.9Å; L571-L588 HydrophobicContact CD1-CD2 4.06Å; L571-Y616 CarbonylContact C-O 3.58Å; L571-Y616 WeakPolarHBondContact CA-O 3.47Å; L571-L626 HydrophobicContact CD2-CD1 3.87Å; L571-F627 HydrophobicContact CD1-CE1 3.78Å; L571-F627 HydrophobicContact CD1-CZ 4.39Å |
| 572 | A | 97.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 60.5 Ų | 60.5 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y616 I618 | A572-Y616 PolarHBondContact N-O 2.8Å; A572-Y616 PolarHBondContact O-N 2.9Å; A572-I618 HydrophobicContact CB-CD1 4.39Å; A572-I618 HydrophobicContact CB-CG1 3.93Å |
| 573 | L | 97.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.6 | 177.7 | -58.4 | -175.1 | 0 | 0 | 0 | 109.4 | P583 S584 L586 I595 V613 C614 F627 | L573-P583 WeakPolarHBondContact CB-O 3.39Å; L573-S584 PolarHBondContact N-O 3.27Å; L573-L586 HydrophobicContact CD1-CB 4.02Å; L573-L586 HydrophobicContact CD2-CB 4.38Å; L573-L586 HydrophobicContact CG-CB 4.19Å; L573-I595 HydrophobicContact CD1-CD1 3.68Å; L573-I595 HydrophobicContact CD1-CG2 4.38Å; L573-V613 HydrophobicContact CB-CG1 4.46Å; L573-C614 WeakPolarHBondContact CA-O 3.39Å; L573-F627 HydrophobicContact CD2-CE2 4.28Å; L573-F627 HydrophobicContact CD2-CZ 3.75Å |
| 574 | T | 96.6 | Very high | 95.7 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 145.1 | -178.4 | 69 | 0 | 0 | 0 | 0 | 111.7 | V613 C614 Y616 | T574-V613 WeakPolarHBondContact O-CA 3.33Å; T574-C614 PolarHBondContact N-O 3.21Å; T574-C614 PolarHBondContact O-N 3.15Å; T574-Y616 WeakPolarHBondContact OG1-CE2 3.33Å |
| 575 | S | 94.6 | Very high | 95.8 | Very high | 31 Ų | 31 | 63 Ų | 63 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.7 | 167.7 | 169.3 | 0 | 0 | 0 | 0 | 109.2 | S577 | S575-S577 VanDerWaalsContact C-N 3.26Å; S575-S577 PolarHBondContact O-N 2.93Å; S575-S577 PolarHBondContact OG-N 2.87Å; S575-S577 VanDerWaalsContact OG-N 3.17Å; S575-S577 PolarHBondContact OG-O 3.26Å |
| 576 | N | 91.2 | Very high | 96 | Very high | 149 Ų | 149 | 56.4 Ų | 56.4 | 80% | 0.797 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -85.7 | 3.9 | 176.2 | -69.4 | -20.4 | 0 | 0 | 0 | 113.3 | ||
| 577 | S | 94.7 | Very high | 96.1 | Very high | 26 Ų | 26 | 55.9 Ų | 55.9 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | trans | -125 | 136.8 | -173.2 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | S575 W579 V580 T611 | S575-S577 VanDerWaalsContact C-N 3.26Å; S575-S577 PolarHBondContact O-N 2.93Å; S575-S577 PolarHBondContact OG-N 2.87Å; S575-S577 VanDerWaalsContact OG-N 3.17Å; S575-S577 PolarHBondContact OG-O 3.26Å; S577-W579 VanDerWaalsContact C-N 3.32Å; S577-W579 PolarHBondContact O-N 3.23Å; S577-W579 PolarHBondContact OG-NE1 2.83Å; S577-V580 PolarHBondContact O-N 2.98Å; S577-T611 WeakPolarHBondContact OG-CB 3.28Å; S577-T611 PolarHBondContact OG-OG1 3.15Å | ||
| 578 | S | 95.1 | Very high | 96.3 | Very high | 119 Ų | 119 | 55.3 Ų | 55.3 | 83% | 0.832 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -21.5 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | V580 | S578-V580 VanDerWaalsContact C-N 3.25Å; S578-V580 PolarHBondContact O-N 3.24Å |
| 579 | W | 96.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 1.6 | 178.4 | 58.2 | -92.3 | 0 | 0 | 0 | 113.2 | S577 V599 D600 L604 H609 T611 I631 A633 | S577-W579 VanDerWaalsContact C-N 3.32Å; S577-W579 PolarHBondContact O-N 3.23Å; S577-W579 PolarHBondContact OG-NE1 2.83Å; W579-V599 HydrophobicContact CE3-CG1 3.79Å; W579-V599 HydrophobicContact CZ3-CG1 3.71Å; W579-D600 WeakPolarHBondContact CB-O 3.48Å; W579-D600 PolarHBondContact O-N 2.91Å; W579-L604 HydrophobicContact CB-CD2 4.23Å; W579-L604 HydrophobicContact CD2-CD1 4.11Å; W579-L604 HydrophobicContact CD2-CD2 4.31Å; W579-L604 HydrophobicContact CE3-CD1 4.25Å; W579-L604 HydrophobicContact CG-CD1 4.34Å; W579-L604 HydrophobicContact CG-CD2 3.82Å; W579-L604 HydrophobicContact CG-CG 4.47Å; W579-H609 HydrophobicContact CZ2-CB 4.02Å; W579-T611 HydrophobicContact CH2-CG2 3.7Å; W579-T611 HydrophobicContact CZ2-CG2 3.62Å; W579-T611 HydrophobicContact CZ3-CG2 4.42Å; W579-I631 HydrophobicContact CH2-CB 4.49Å; W579-I631 HydrophobicContact CH2-CG2 3.85Å; W579-I631 HydrophobicContact CZ3-CG2 3.7Å; W579-A633 HydrophobicContact CH2-CB 4.43Å; W579-A633 HydrophobicContact CZ3-CB 4.23Å |
| 580 | V | 98 | Very high | 96.4 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.4 | 174.1 | 174.3 | 0 | 0 | 0 | 0 | 109.3 | S577 S578 I597 R598 V599 T611 V613 I631 | S577-V580 PolarHBondContact O-N 2.98Å; S578-V580 VanDerWaalsContact C-N 3.25Å; S578-V580 PolarHBondContact O-N 3.24Å; V580-I597 HydrophobicContact CG1-CG2 3.73Å; V580-R598 WeakPolarHBondContact CA-O 2.97Å; V580-V599 HydrophobicContact CG2-CG2 4.45Å; V580-T611 HydrophobicContact CB-CG2 4.23Å; V580-T611 HydrophobicContact CG2-CG2 3.51Å; V580-V613 HydrophobicContact CG1-CG2 3.88Å; V580-I631 HydrophobicContact CB-CD1 4.43Å; V580-I631 HydrophobicContact CG1-CD1 3.56Å; V580-I631 HydrophobicContact CG2-CD1 3.98Å; V580-I631 HydrophobicContact CG2-CG2 4.19Å |
| 581 | Q | 97.8 | Very high | 96.3 | Very high | 114 Ų | 114 | 56.7 Ų | 56.7 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.7 | 174.3 | -55 | 172.2 | 4.8 | 0 | 0 | 108.9 | I597 R598 | Q581-I597 WeakPolarHBondContact O-CA 3.43Å; Q581-R598 HydrophobicContact CB-CB 4.22Å; Q581-R598 PolarHBondContact N-O 3.27Å; Q581-R598 PolarHBondContact O-N 3.13Å |
| 582 | C | 97.3 | Very high | 96.2 | Very high | 34 Ų | 34 | 58.1 Ų | 58.1 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | trans | -134.9 | 158.5 | 175 | 60.5 | 0 | 0 | 0 | 0 | 109.5 | I597 V613 | C582-I597 HydrophobicContact CB-CG1 4.33Å; C582-V613 HydrophobicContact CB-CG1 4.01Å; C582-V613 HydrophobicContact CB-CG2 3.95Å | ||
| 583 | P | 97.2 | Very high | 96.2 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 34% | 0.338 | 33% | 0.33 | S | S | . | . | trans | -57.1 | 150.8 | 169.4 | -20.9 | 33.8 | 0 | 0 | 0 | 109.8 | L573 I595 N596 | L573-P583 WeakPolarHBondContact CB-O 3.39Å; P583-I595 HydrophobicContact CG-CB 4.2Å; P583-N596 WeakPolarHBondContact CD-O 3.38Å | ||
| 584 | S | 96.9 | Very high | 96.2 | Very high | 77 Ų | 77 | 66.6 Ų | 66.6 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -83.9 | -21.5 | -179.6 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | L573 | L573-S584 PolarHBondContact N-O 3.27Š|
| 585 | H | 97.1 | Very high | 96.2 | Very high | 126 Ų | 126 | 64.6 Ų | 64.6 | 58% | 0.583 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.1 | -175.3 | -59.7 | 77.8 | 0 | 0 | 0 | 110.9 | L571 | L571-H585 CarbonylContact O-C 3.48Å; L571-H585 VanDerWaalsContact O-CA 3.28Å; L571-H585 WeakPolarHBondContact O-CA 3.1Å |
| 586 | L | 97.2 | Very high | 96.4 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 126 | 172.1 | 174 | 63.7 | 0 | 0 | 0 | 109.2 | I551 L571 L573 R593 I595 F627 | I551-L586 HydrophobicContact CD1-CD2 4.31Å; L571-L586 HydrophobicContact CB-CB 4.31Å; L571-L586 WeakPolarHBondContact CB-O 3.38Å; L571-L586 HydrophobicContact CD1-CD2 4.13Å; L571-L586 HydrophobicContact CD1-CG 4.36Å; L571-L586 PolarHBondContact N-O 2.68Å; L571-L586 PolarHBondContact O-N 2.84Å; L573-L586 HydrophobicContact CD1-CB 4.02Å; L573-L586 HydrophobicContact CD2-CB 4.38Å; L573-L586 HydrophobicContact CG-CB 4.19Å; L586-R593 HydrophobicContact CD1-CB 4.08Å; L586-I595 HydrophobicContact CD1-CG2 3.95Å; L586-I595 HydrophobicContact CD2-CG2 4.26Å; L586-F627 HydrophobicContact CD2-CZ 4.47Å |
| 587 | E | 96.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 60.1 Ų | 60.1 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.5 | 165.9 | -172.2 | 178.5 | 169.4 | 0 | 0 | 108.6 | Q568 L569 R593 | Q568-E587 HydrophobicContact CG-CG 4.45Å; Q568-E587 PolarHBondContact NE2-OE1 3Å; L569-E587 WeakPolarHBondContact O-CA 3.4Å; E587-R593 VanDerWaalsContact O-CZ 3.32Å; E587-R593 PolarHBondContact O-NH1 2.8Å |
| 588 | L | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.3 | -175.9 | -172.1 | 66.1 | 0 | 0 | 0 | 110.5 | F523 I551 F567 L569 L571 R593 | F523-L588 HydrophobicContact CD1-CD2 3.89Å; F523-L588 HydrophobicContact CE1-CD2 3.69Å; I551-L588 HydrophobicContact CG2-CD2 3.98Å; F567-L588 HydrophobicContact CE1-CG 4.45Å; L569-L588 HydrophobicContact CB-CB 4.39Å; L569-L588 PolarHBondContact N-O 3.24Å; L569-L588 PolarHBondContact O-N 3.18Å; L571-L588 HydrophobicContact CD1-CB 3.9Å; L571-L588 HydrophobicContact CD1-CD2 4.06Å; L588-R593 HydrophobicContact CD1-CB 3.85Å; L588-R593 HydrophobicContact CD1-CG 3.81Å |
| 589 | M | 95.6 | Very high | 97 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 28% | 0.281 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -175.2 | 171.8 | 61.3 | -75.3 | -67.9 | 0 | 0 | 109.6 | P553 Q591 R593 | P553-M589 WeakPolarHBondContact CG-O 3.28Å; M589-Q591 HydrophobicContact CG-CB 3.95Å; M589-Q591 PolarHBondContact O-N 3.13Å; M589-Q591 HydrophobicContact SD-CB 4.45Å; M589-R593 HydrophobicContact SD-CG 3.81Å; M589-R593 PolarHBondContact SD-NH1 3.07Å |
| 590 | N | 95.1 | Very high | 97.1 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 40% | 0.401 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -70.5 | 66.2 | 172.5 | -179.2 | 22.5 | 0 | 0 | 0 | 111.5 | F555 K564 | F555-N590 HydrophobicContact CE2-CB 3.89Å; F555-N590 VanDerWaalsContact CE2-CG 3.46Å; F555-N590 WeakPolarHBondContact CE2-OD1 3.35Å; F555-N590 HydrophobicContact CZ-CB 3.94Å; K564-N590 WeakPolarHBondContact O-CB 3.5Å |
| 591 | Q | 94.7 | Very high | 96.9 | Very high | 115 Ų | 115 | 57.6 Ų | 57.6 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -160.8 | 146.3 | 178.1 | -173.3 | -178.9 | 2.2 | 0 | 0 | 109.3 | M589 R593 | M589-Q591 HydrophobicContact CG-CB 3.95Å; M589-Q591 PolarHBondContact O-N 3.13Å; M589-Q591 HydrophobicContact SD-CB 4.45Å; Q591-R593 PolarHBondContact O-N 2.94Å |
| 592 | C | 96.6 | Very high | 96.7 | Very high | 31 Ų | 31 | 59.4 Ų | 59.4 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | trans | -61 | 117.7 | 164.5 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | I551 E552 | I551-C592 WeakPolarHBondContact O-CA 3.2Å; E552-C592 HydrophobicContact CB-CB 3.9Å; E552-C592 HydrophobicContact CG-CB 4.07Å | ||
| 593 | R | 97.4 | Very high | 96.3 | Very high | 79 Ų | 79 | 61.9 Ų | 61.9 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.5 | 175.3 | -74.4 | -70 | -64 | -86.5 | -5.9 | 110.3 | I551 L586 E587 L588 M589 Q591 | I551-R593 PolarHBondContact N-O 2.72Å; I551-R593 PolarHBondContact O-N 3.28Å; L586-R593 HydrophobicContact CD1-CB 4.08Å; E587-R593 VanDerWaalsContact O-CZ 3.32Å; E587-R593 PolarHBondContact O-NH1 2.8Å; L588-R593 HydrophobicContact CD1-CB 3.85Å; L588-R593 HydrophobicContact CD1-CG 3.81Å; M589-R593 HydrophobicContact SD-CG 3.81Å; M589-R593 PolarHBondContact SD-NH1 3.07Å; Q591-R593 PolarHBondContact O-N 2.94Å |
| 594 | H | 96.9 | Very high | 96.3 | Very high | 132 Ų | 132 | 61 Ų | 61 | 61% | 0.611 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.5 | 178.5 | -68.7 | 77.7 | 0 | 0 | 0 | 111 | V549 | V549-H594 CarbonylContact O-C 3.56Å; V549-H594 VanDerWaalsContact O-CA 3.28Å; V549-H594 WeakPolarHBondContact O-CA 3.44Å |
| 595 | I | 97.6 | Very high | 96.2 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 8% | 0.077 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 159.1 | 167.2 | 64.6 | 175.8 | 0 | 0 | 0 | 109.3 | V549 I551 L573 P583 L586 I597 | V549-I595 HydrophobicContact CB-CG1 3.96Å; V549-I595 PolarHBondContact N-O 3.33Å; V549-I595 PolarHBondContact O-N 3.21Å; I551-I595 HydrophobicContact CD1-CD1 3.7Å; I551-I595 HydrophobicContact CD1-CG1 3.67Å; I551-I595 HydrophobicContact CD1-CG2 4.42Å; L573-I595 HydrophobicContact CD1-CD1 3.68Å; L573-I595 HydrophobicContact CD1-CG2 4.38Å; P583-I595 HydrophobicContact CG-CB 4.2Å; L586-I595 HydrophobicContact CD1-CG2 3.95Å; L586-I595 HydrophobicContact CD2-CG2 4.26Å; I595-I597 HydrophobicContact CD1-CD1 4.4Å; I595-I597 HydrophobicContact CD1-CG1 4.31Å; I595-I597 HydrophobicContact CG1-CG1 4.46Å |
| 596 | N | 97.8 | Very high | 96 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.7 | 174 | -168.9 | -26 | 0 | 0 | 0 | 109.4 | D546 H547 P583 | D546-N596 WeakPolarHBondContact CB-OD1 3.39Å; H547-N596 PolarHBondContact N-OD1 2.7Å; H547-N596 WeakPolarHBondContact O-CA 3.35Å; P583-N596 WeakPolarHBondContact CD-O 3.38Å |
| 597 | I | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.1 | 174.4 | -58.9 | -179.8 | 0 | 0 | 0 | 108.4 | I533 H547 V549 V580 Q581 C582 I595 V599 V613 V629 I631 | I533-I597 HydrophobicContact CD1-CB 4.19Å; I533-I597 HydrophobicContact CD1-CG2 4.1Å; H547-I597 PolarHBondContact N-O 2.82Å; H547-I597 PolarHBondContact O-N 2.88Å; V549-I597 HydrophobicContact CB-CD1 4.35Å; V549-I597 HydrophobicContact CG2-CB 4.46Å; V549-I597 HydrophobicContact CG2-CD1 3.62Å; V549-I597 HydrophobicContact CG2-CG1 3.96Å; V580-I597 HydrophobicContact CG1-CG2 3.73Å; Q581-I597 WeakPolarHBondContact O-CA 3.43Å; C582-I597 HydrophobicContact CB-CG1 4.33Å; I595-I597 HydrophobicContact CD1-CD1 4.4Å; I595-I597 HydrophobicContact CD1-CG1 4.31Å; I595-I597 HydrophobicContact CG1-CG1 4.46Å; I597-V599 HydrophobicContact CG2-CG2 4.36Å; I597-V613 HydrophobicContact CD1-CB 4.09Å; I597-V613 HydrophobicContact CD1-CG1 4.41Å; I597-V613 HydrophobicContact CD1-CG2 3.91Å; I597-V613 HydrophobicContact CG2-CG2 4.42Å; I597-V629 HydrophobicContact CD1-CB 4.23Å; I597-V629 HydrophobicContact CD1-CG1 3.96Å; I597-V629 HydrophobicContact CD1-CG2 4.33Å; I597-I631 HydrophobicContact CG2-CD1 3.85Å |
| 598 | R | 98.1 | Very high | 95.9 | Very high | 92 Ų | 92 | 66.4 Ų | 66.4 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127.4 | 175.1 | -173.2 | 179.4 | -177.8 | 108.1 | -4.3 | 110.1 | S545 D546 V580 Q581 | S545-R598 WeakPolarHBondContact O-CA 3.34Å; D546-R598 VanDerWaalsContact OD1-CB 3.24Å; D546-R598 WeakPolarHBondContact OD1-CB 3.47Å; D546-R598 VanDerWaalsContact OD1-CG 3.28Å; D546-R598 WeakPolarHBondContact OD1-CG 3.35Å; D546-R598 IonicContact OD1-NH1 2.81Å; D546-R598 IonicContact OD2-NH1 3.91Å; D546-R598 PolarHBondContact OD2-NH1 2.74Å; V580-R598 WeakPolarHBondContact CA-O 2.97Å; Q581-R598 HydrophobicContact CB-CB 4.22Å; Q581-R598 PolarHBondContact N-O 3.27Å; Q581-R598 PolarHBondContact O-N 3.13Å |
| 599 | V | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.5 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | I533 L535 P544 S545 W579 V580 I597 P601 I631 | I533-V599 HydrophobicContact CD1-CG2 4.21Å; I533-V599 HydrophobicContact CG2-CG2 4.24Å; L535-V599 HydrophobicContact CD1-CB 4.32Å; L535-V599 HydrophobicContact CD1-CG1 3.75Å; P544-V599 CarbonylContact C-O 2.93Å; P544-V599 VanDerWaalsContact CA-O 3.25Å; P544-V599 WeakPolarHBondContact CA-O 3.39Å; S545-V599 PolarHBondContact N-O 2.86Å; S545-V599 PolarHBondContact O-N 3.41Å; W579-V599 HydrophobicContact CE3-CG1 3.79Å; W579-V599 HydrophobicContact CZ3-CG1 3.71Å; V580-V599 HydrophobicContact CG2-CG2 4.45Å; I597-V599 HydrophobicContact CG2-CG2 4.36Å; V599-P601 WeakPolarHBondContact O-CD 3.46Å; V599-I631 HydrophobicContact CG1-CG2 4.46Å; V599-I631 HydrophobicContact CG2-CG2 3.97Å |
| 600 | D | 97.6 | Very high | 95.9 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -113.9 | 91.2 | 175.8 | -167.7 | -10.2 | 0 | 0 | 0 | 110.1 | P544 W579 R602 | P544-D600 HydrophobicContact CB-CB 4.21Å; P544-D600 HydrophobicContact CG-CB 4.35Å; W579-D600 WeakPolarHBondContact CB-O 3.48Å; W579-D600 PolarHBondContact O-N 2.91Å; D600-R602 PolarHBondContact O-N 2.84Å; D600-R602 VanDerWaalsContact OD1-CB 3.28Å; D600-R602 WeakPolarHBondContact OD1-CB 3.25Å; D600-R602 WeakPolarHBondContact OD1-CG 3.22Å; D600-R602 IonicContact OD1-CZ 3.76Å; D600-R602 PolarHBondContact OD1-N 3.36Å; D600-R602 VanDerWaalsContact OD1-N 3.16Å; D600-R602 IonicContact OD1-NE 2.67Å; D600-R602 PolarHBondContact OD1-NE 3.09Å; D600-R602 IonicContact OD1-NH2 3.58Å; D600-R602 IonicContact OD2-CZ 3.5Å; D600-R602 IonicContact OD2-NE 3.72Å; D600-R602 PolarHBondContact OD2-NE 2.98Å; D600-R602 IonicContact OD2-NH2 2.65Å; D600-R602 PolarHBondContact OD2-NH2 2.83Å | ||
| 601 | P | 95.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.019 | 32% | 0.316 | C | S | . | . | trans | -74.7 | -6.5 | -178.5 | 29.7 | -33.3 | 0 | 0 | 0 | 113.2 | V541 V599 G603 L604 I635 | V541-P601 HydrophobicContact CB-CB 4.15Å; V541-P601 HydrophobicContact CB-CG 4.11Å; V541-P601 HydrophobicContact CG1-CB 4.39Å; V541-P601 WeakPolarHBondContact O-CG 3.33Å; V599-P601 WeakPolarHBondContact O-CD 3.46Å; P601-G603 PolarHBondContact O-N 2.87Å; P601-L604 HydrophobicContact CB-CD1 4.11Å; P601-L604 VanDerWaalsContact O-CB 3.31Å; P601-L604 WeakPolarHBondContact O-CB 3.46Å; P601-L604 WeakPolarHBondContact O-CG 3.49Å; P601-L604 PolarHBondContact O-N 3.1Å; P601-L604 VanDerWaalsContact O-N 3.15Å; P601-I635 HydrophobicContact CB-CD1 4.16Å | ||
| 602 | R | 92.3 | Very high | 96.2 | Very high | 151 Ų | 151 | 60.6 Ų | 60.6 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 130.5 | -178.3 | -59.8 | 175.5 | -62.5 | 169.6 | 5.5 | 109.6 | P544 D600 L604 | P544-R602 VanDerWaalsContact CG-CZ 3.41Å; P544-R602 VanDerWaalsContact CG-NH2 3.31Å; D600-R602 PolarHBondContact O-N 2.84Å; D600-R602 VanDerWaalsContact OD1-CB 3.28Å; D600-R602 WeakPolarHBondContact OD1-CB 3.25Å; D600-R602 WeakPolarHBondContact OD1-CG 3.22Å; D600-R602 IonicContact OD1-CZ 3.76Å; D600-R602 PolarHBondContact OD1-N 3.36Å; D600-R602 VanDerWaalsContact OD1-N 3.16Å; D600-R602 IonicContact OD1-NE 2.67Å; D600-R602 PolarHBondContact OD1-NE 3.09Å; D600-R602 IonicContact OD1-NH2 3.58Å; D600-R602 IonicContact OD2-CZ 3.5Å; D600-R602 IonicContact OD2-NE 3.72Å; D600-R602 PolarHBondContact OD2-NE 2.98Å; D600-R602 IonicContact OD2-NH2 2.65Å; D600-R602 PolarHBondContact OD2-NH2 2.83Å; R602-L604 VanDerWaalsContact C-N 3.33Å |
| 603 | G | 90 | Very high | 96.3 | Very high | 87 Ų | 87 | 59.1 Ų | 59.1 | 90% | 0.897 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -2.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P601 | P601-G603 PolarHBondContact O-N 2.87Š|
| 604 | L | 95.5 | Very high | 96.3 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -67 | 135.6 | 163.6 | -65.5 | -178.5 | 0 | 0 | 0 | 109.6 | W579 P601 R602 H609 A633 I635 | W579-L604 HydrophobicContact CB-CD2 4.23Å; W579-L604 HydrophobicContact CD2-CD1 4.11Å; W579-L604 HydrophobicContact CD2-CD2 4.31Å; W579-L604 HydrophobicContact CE3-CD1 4.25Å; W579-L604 HydrophobicContact CG-CD1 4.34Å; W579-L604 HydrophobicContact CG-CD2 3.82Å; W579-L604 HydrophobicContact CG-CG 4.47Å; P601-L604 HydrophobicContact CB-CD1 4.11Å; P601-L604 VanDerWaalsContact O-CB 3.31Å; P601-L604 WeakPolarHBondContact O-CB 3.46Å; P601-L604 WeakPolarHBondContact O-CG 3.49Å; P601-L604 PolarHBondContact O-N 3.1Å; P601-L604 VanDerWaalsContact O-N 3.15Å; R602-L604 VanDerWaalsContact C-N 3.33Å; L604-H609 HydrophobicContact CD1-CB 4.12Å; L604-A633 HydrophobicContact CD1-CB 4.21Å; L604-I635 HydrophobicContact CB-CD1 4.23Å; L604-I635 HydrophobicContact CB-CG1 3.75Å; L604-I635 HydrophobicContact CD1-CD1 4.5Å |
| 605 | R | 95 | Very high | 96.3 | Very high | 206 Ų | 206 | 49.5 Ų | 49.5 | 78% | 0.777 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -66.7 | 161.8 | 172.5 | 61.7 | 173.6 | -178.6 | -169.9 | 0.5 | 111 | H609 I635 | R605-H609 PolarHBondContact O-NE2 3.05Å; R605-I635 WeakPolarHBondContact O-CB 3.3Å |
| 606 | E | 94.6 | Very high | 96.3 | Very high | 131 Ų | 131 | 51.8 Ų | 51.8 | 61% | 0.612 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -52.8 | 142.2 | 170.5 | -64.8 | 176 | -179.6 | 0 | 0 | 111.6 | I635 | E606-I635 WeakPolarHBondContact CA-O 3.34Š|
| 607 | G | 94.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 113.5 | -159.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H609 I635 | G607-H609 PolarHBondContact O-CD2 3.15Å; G607-I635 PolarHBondContact N-O 3.31Å; G607-I635 PolarHBondContact O-N 2.87Å |
| 608 | L | 95.8 | Very high | 96 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.5 | -170.7 | -179.8 | 65.1 | 0 | 0 | 0 | 111.3 | L367 F495 T632 V634 F663 | L367-L608 HydrophobicContact CD1-CD1 3.66Å; L367-L608 HydrophobicContact CD1-CD2 3.64Å; L367-L608 HydrophobicContact CD1-CG 4.29Å; L367-L608 HydrophobicContact CD2-CD2 4.48Å; F495-L608 HydrophobicContact CD2-CD2 3.73Å; F495-L608 HydrophobicContact CE2-CD1 3.99Å; F495-L608 HydrophobicContact CE2-CD2 3.38Å; F495-L608 HydrophobicContact CE2-CG 3.81Å; F495-L608 HydrophobicContact CZ-CD1 4.25Å; F495-L608 HydrophobicContact CZ-CD2 4.41Å; F495-L608 HydrophobicContact CZ-CG 4.49Å; L608-T632 HydrophobicContact CD1-CG2 3.66Å; L608-V634 HydrophobicContact CD1-CG2 3.82Å; L608-F663 HydrophobicContact CB-CE2 3.9Å; L608-F663 HydrophobicContact CB-CZ 4.44Å; L608-F663 HydrophobicContact CD1-CZ 4.46Å |
| 609 | H | 96.8 | Very high | 95.7 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 13% | 0.13 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.7 | 177.7 | -57.3 | -88.9 | 0 | 0 | 0 | 110.1 | W579 L604 R605 G607 T632 A633 | W579-H609 HydrophobicContact CZ2-CB 4.02Å; L604-H609 HydrophobicContact CD1-CB 4.12Å; R605-H609 PolarHBondContact O-NE2 3.05Å; G607-H609 PolarHBondContact O-CD2 3.15Å; H609-T632 WeakPolarHBondContact O-CA 3.43Å; H609-A633 PolarHBondContact N-O 3.37Å; H609-A633 PolarHBondContact O-N 3.05Å |
| 610 | Y | 96.9 | Very high | 95.3 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 22% | 0.216 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.7 | -178.5 | 173 | -100.7 | 0 | 0 | 0 | 110.8 | L420 V494 F495 E612 P630 I631 | L420-Y610 HydrophobicContact CD1-CE2 4.04Å; V494-Y610 HydrophobicContact CB-CD1 4.47Å; V494-Y610 HydrophobicContact CB-CE1 4.29Å; V494-Y610 HydrophobicContact CG1-CD1 3.6Å; V494-Y610 HydrophobicContact CG1-CE1 3.74Å; V494-Y610 HydrophobicContact CG1-CG 3.99Å; V494-Y610 HydrophobicContact CG2-CD1 4.48Å; V494-Y610 HydrophobicContact CG2-CE1 3.83Å; F495-Y610 AromaticContact CE1-CD2 3.87Å; F495-Y610 HydrophobicContact CE1-CD2 3.87Å; F495-Y610 HydrophobicContact CE1-CE2 4.31Å; F495-Y610 HydrophobicContact CE1-CG 4.39Å; F495-Y610 AromaticContact CZ-CD2 3.73Å; F495-Y610 HydrophobicContact CZ-CD2 3.73Å; F495-Y610 AromaticContact CZ-CG 3.89Å; F495-Y610 HydrophobicContact CZ-CG 3.89Å; Y610-E612 HydrophobicContact CE1-CG 3.93Å; Y610-E612 HydrophobicContact CE2-CG 4.23Å; Y610-E612 WeakPolarHBondContact OH-CG 3.18Å; Y610-E612 PolarHBondContact OH-OE1 2.66Å; Y610-P630 HydrophobicContact CE2-CB 4.1Å; Y610-I631 WeakPolarHBondContact CA-O 3.35Å; Y610-I631 WeakPolarHBondContact CD2-O 3.26Å |
| 611 | T | 97.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 175.3 | 169.4 | -161 | 0 | 0 | 0 | 0 | 109.6 | S577 W579 V580 I631 | S577-T611 WeakPolarHBondContact OG-CB 3.28Å; S577-T611 PolarHBondContact OG-OG1 3.15Å; W579-T611 HydrophobicContact CH2-CG2 3.7Å; W579-T611 HydrophobicContact CZ2-CG2 3.62Å; W579-T611 HydrophobicContact CZ3-CG2 4.42Å; V580-T611 HydrophobicContact CB-CG2 4.23Å; V580-T611 HydrophobicContact CG2-CG2 3.51Å; T611-I631 HydrophobicContact CG2-CB 4.1Å; T611-I631 HydrophobicContact CG2-CD1 4.48Å; T611-I631 PolarHBondContact N-O 2.96Å; T611-I631 PolarHBondContact O-N 2.82Å; T611-I631 VanDerWaalsContact O-O 3.11Å |
| 612 | E | 97.6 | Very high | 94.5 | Very high | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.154 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 147.4 | 176.6 | -55.4 | -172.7 | 118.8 | 0 | 0 | 109.9 | Y610 R628 V629 | Y610-E612 HydrophobicContact CE1-CG 3.93Å; Y610-E612 HydrophobicContact CE2-CG 4.23Å; Y610-E612 WeakPolarHBondContact OH-CG 3.18Å; Y610-E612 PolarHBondContact OH-OE1 2.66Å; E612-R628 IonicContact OE2-NE 3.88Å; E612-V629 VanDerWaalsContact CA-O 3.32Å; E612-V629 WeakPolarHBondContact CA-O 3.32Å |
| 613 | V | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.9 | 159.2 | 174.9 | 0 | 0 | 0 | 0 | 107.9 | L573 T574 V580 C582 I597 R628 V629 I631 | L573-V613 HydrophobicContact CB-CG1 4.46Å; T574-V613 WeakPolarHBondContact O-CA 3.33Å; V580-V613 HydrophobicContact CG1-CG2 3.88Å; C582-V613 HydrophobicContact CB-CG1 4.01Å; C582-V613 HydrophobicContact CB-CG2 3.95Å; I597-V613 HydrophobicContact CD1-CB 4.09Å; I597-V613 HydrophobicContact CD1-CG1 4.41Å; I597-V613 HydrophobicContact CD1-CG2 3.91Å; I597-V613 HydrophobicContact CG2-CG2 4.42Å; V613-R628 CarbonylContact O-C 3.5Å; V613-R628 WeakPolarHBondContact O-CA 3.35Å; V613-V629 HydrophobicContact CB-CB 4.19Å; V613-V629 HydrophobicContact CB-CG2 4.41Å; V613-V629 PolarHBondContact N-O 2.79Å; V613-V629 PolarHBondContact O-N 2.95Å; V613-I631 HydrophobicContact CG2-CD1 3.95Å |
| 614 | C | 97.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 135.6 | -176.6 | -69.8 | 0 | 0 | 0 | 0 | 110.5 | L573 T574 Y616 P625 | L573-C614 WeakPolarHBondContact CA-O 3.39Å; T574-C614 PolarHBondContact N-O 3.21Å; T574-C614 PolarHBondContact O-N 3.15Å; C614-Y616 HydrophobicContact CB-CD2 4.21Å; C614-Y616 HydrophobicContact CB-CE2 3.37Å; C614-P625 HydrophobicContact CB-CB 3.97Å |
| 615 | G | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | P625 L626 F627 | G615-P625 CarbonylContact O-C 3.56Å; G615-P625 WeakPolarHBondContact O-CA 3.46Å; G615-L626 PolarHBondContact O-N 2.96Å; G615-F627 PolarHBondContact N-O 3.37Å; G615-F627 VanDerWaalsContact N-O 3.1Å |
| 616 | Y | 96.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139 | 179.4 | -61.7 | -93.9 | 0 | 0 | 0 | 110.6 | L571 A572 T574 C614 I618 P625 | L571-Y616 CarbonylContact C-O 3.58Å; L571-Y616 WeakPolarHBondContact CA-O 3.47Å; A572-Y616 PolarHBondContact N-O 2.8Å; A572-Y616 PolarHBondContact O-N 2.9Å; T574-Y616 WeakPolarHBondContact OG1-CE2 3.33Å; C614-Y616 HydrophobicContact CB-CD2 4.21Å; C614-Y616 HydrophobicContact CB-CE2 3.37Å; Y616-I618 PolarHBondContact O-N 3.41Å; Y616-P625 HydrophobicContact CD1-CB 4.39Å; Y616-P625 HydrophobicContact CE1-CB 4.02Å; Y616-P625 HydrophobicContact CE1-CG 4.37Å |
| 617 | D | 95.4 | Very high | 94.9 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 122.2 | 167.7 | -176.3 | 1.6 | 0 | 0 | 0 | 109.9 | A619 S620 P621 L626 | D617-A619 PolarHBondContact O-N 2.72Å; D617-A619 WeakPolarHBondContact OD1-CB 3.31Å; D617-A619 PolarHBondContact OD1-N 3.2Å; D617-S620 CarbonylContact O-C 3.54Å; D617-S620 PolarHBondContact O-N 2.78Å; D617-P621 WeakPolarHBondContact O-CA 3.46Å; D617-P621 VanDerWaalsContact O-N 3.14Å; D617-L626 HydrophobicContact CB-CD1 4.08Å |
| 618 | I | 94.6 | Very high | 95 | Very high | 86 Ų | 86 | 38.5 Ų | 38.5 | 44% | 0.441 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -28.8 | 178.7 | -65.4 | 171.2 | 0 | 0 | 0 | 111.1 | H570 A572 Y616 S620 | H570-I618 HydrophobicContact CB-CD1 4.15Å; H570-I618 WeakPolarHBondContact O-CB 3.5Å; H570-I618 WeakPolarHBondContact O-CG1 3.42Å; H570-I618 PolarHBondContact O-N 2.79Å; A572-I618 HydrophobicContact CB-CD1 4.39Å; A572-I618 HydrophobicContact CB-CG1 3.93Å; Y616-I618 PolarHBondContact O-N 3.41Å; I618-S620 VanDerWaalsContact C-N 3.29Å; I618-S620 PolarHBondContact O-N 2.91Å |
| 619 | A | 92.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 36.2 Ų | 36.2 | 69% | 0.694 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -24.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D617 | D617-A619 PolarHBondContact O-N 2.72Å; D617-A619 WeakPolarHBondContact OD1-CB 3.31Å; D617-A619 PolarHBondContact OD1-N 3.2Å |
| 620 | S | 90.3 | Very high | 95.1 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | trans | -143.6 | 62.1 | -175.2 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | D617 I618 N622 A623 | D617-S620 CarbonylContact O-C 3.54Å; D617-S620 PolarHBondContact O-N 2.78Å; I618-S620 VanDerWaalsContact C-N 3.29Å; I618-S620 PolarHBondContact O-N 2.91Å; S620-N622 PolarHBondContact O-N 3.37Å; S620-N622 VanDerWaalsContact O-N 3.14Å; S620-A623 WeakPolarHBondContact O-CB 3.11Å; S620-A623 PolarHBondContact O-N 2.76Å | ||
| 621 | P | 86.2 | Confident | 95.2 | Very high | 73 Ų | 73 | 32.8 Ų | 32.8 | 47% | 0.474 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -63.8 | -26.7 | -173.6 | 25.6 | -34.9 | 0 | 0 | 0 | 113 | D617 A623 G624 | D617-P621 WeakPolarHBondContact O-CA 3.46Å; D617-P621 VanDerWaalsContact O-N 3.14Å; P621-A623 VanDerWaalsContact C-N 3.25Å; P621-A623 PolarHBondContact O-N 3.36Å; P621-G624 PolarHBondContact O-N 3.4Å |
| 622 | N | 89.9 | Confident | 95.2 | Very high | 165 Ų | 165 | 32.5 Ų | 32.5 | 88% | 0.882 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -75.3 | -10.6 | 179.3 | -63.5 | -25.4 | 0 | 0 | 0 | 113.6 | S620 G624 | S620-N622 PolarHBondContact O-N 3.37Å; S620-N622 VanDerWaalsContact O-N 3.14Å; N622-G624 PolarHBondContact O-N 2.87Å |
| 623 | A | 91.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -71.4 | -6.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N484 Y510 N514 S620 P621 | N484-A623 PolarHBondContact ND2-O 2.74Å; Y510-A623 WeakPolarHBondContact CE2-O 3.34Å; Y510-A623 PolarHBondContact OH-O 2.94Å; N514-A623 VanDerWaalsContact OD1-CB 3.27Å; N514-A623 WeakPolarHBondContact OD1-CB 3.22Å; S620-A623 WeakPolarHBondContact O-CB 3.11Å; S620-A623 PolarHBondContact O-N 2.76Å; P621-A623 VanDerWaalsContact C-N 3.25Å; P621-A623 PolarHBondContact O-N 3.36Å |
| 624 | G | 94.5 | Very high | 95.2 | Very high | 17 Ų | 17 | 30.9 Ų | 30.9 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | trans | 74.8 | -173.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | P621 N622 | P621-G624 PolarHBondContact O-N 3.4Å; N622-G624 PolarHBondContact O-N 2.87Å | ||
| 625 | P | 96.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | trans | -74.6 | 143.5 | -172.7 | 31.5 | -36.7 | 0 | 0 | 0 | 111.9 | N484 C614 G615 Y616 R628 | N484-P625 PolarHBondContact ND2-O 3.43Å; C614-P625 HydrophobicContact CB-CB 3.97Å; G615-P625 CarbonylContact O-C 3.56Å; G615-P625 WeakPolarHBondContact O-CA 3.46Å; Y616-P625 HydrophobicContact CD1-CB 4.39Å; Y616-P625 HydrophobicContact CE1-CB 4.02Å; Y616-P625 HydrophobicContact CE1-CG 4.37Å; P625-R628 HydrophobicContact CB-CG 4.44Å; P625-R628 HydrophobicContact CG-CG 4.33Å | ||
| 626 | L | 96.1 | Very high | 95 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -81.7 | -34.5 | 174 | -69.4 | -177.8 | 0 | 0 | 0 | 112.4 | R480 F523 L569 L571 G615 D617 | R480-L626 PolarHBondContact NE-O 2.94Å; R480-L626 PolarHBondContact NH2-O 3.5Å; F523-L626 HydrophobicContact CD2-CB 4.1Å; F523-L626 HydrophobicContact CE2-CB 3.75Å; F523-L626 HydrophobicContact CE2-CD1 4.12Å; F523-L626 HydrophobicContact CE2-CD2 4.4Å; F523-L626 HydrophobicContact CE2-CG 4.32Å; F523-L626 HydrophobicContact CZ-CB 4.32Å; F523-L626 HydrophobicContact CZ-CD1 4Å; L569-L626 HydrophobicContact CD1-CD1 4.08Å; L571-L626 HydrophobicContact CD2-CD1 3.87Å; G615-L626 PolarHBondContact O-N 2.96Å; D617-L626 HydrophobicContact CB-CD1 4.08Å |
| 627 | F | 96.3 | Very high | 94.8 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 4% | 0.044 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 163.2 | 173.6 | 65.6 | -94.6 | 0 | 0 | 0 | 111 | F523 V525 I551 L571 L573 L586 G615 V629 | F523-F627 HydrophobicContact CB-CB 3.85Å; F523-F627 HydrophobicContact CB-CD1 4.33Å; F523-F627 HydrophobicContact CB-CG 4.44Å; F523-F627 HydrophobicContact CD1-CD1 4.36Å; F523-F627 HydrophobicContact CG-CB 4.38Å; F523-F627 HydrophobicContact CG-CD1 4.2Å; V525-F627 HydrophobicContact CG2-CB 4.09Å; V525-F627 HydrophobicContact CG2-CD2 4.05Å; V525-F627 HydrophobicContact CG2-CG 4.32Å; I551-F627 HydrophobicContact CG1-CD2 4.41Å; I551-F627 HydrophobicContact CG1-CE2 3.9Å; I551-F627 HydrophobicContact CG1-CZ 4.03Å; I551-F627 HydrophobicContact CG2-CD1 4.08Å; I551-F627 HydrophobicContact CG2-CE1 3.83Å; I551-F627 HydrophobicContact CG2-CE2 4.44Å; I551-F627 HydrophobicContact CG2-CG 4.47Å; I551-F627 HydrophobicContact CG2-CZ 4.03Å; L571-F627 HydrophobicContact CD1-CE1 3.78Å; L571-F627 HydrophobicContact CD1-CZ 4.39Å; L573-F627 HydrophobicContact CD2-CE2 4.28Å; L573-F627 HydrophobicContact CD2-CZ 3.75Å; L586-F627 HydrophobicContact CD2-CZ 4.47Å; G615-F627 PolarHBondContact N-O 3.37Å; G615-F627 VanDerWaalsContact N-O 3.1Å; F627-V629 HydrophobicContact CD2-CG2 4.41Å; F627-V629 HydrophobicContact CE2-CG2 4.41Å |
| 628 | R | 97.2 | Very high | 94.6 | Very high | 39 Ų | 39 | 36.3 Ų | 36.3 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.3 | 179.9 | -61.6 | 171.5 | 174.5 | 90.8 | -2.5 | 109.6 | E483 N484 H499 E612 V613 P625 | E483-R628 IonicContact OE2-NH1 3.54Å; E483-R628 PolarHBondContact OE2-NH1 3.16Å; N484-R628 PolarHBondContact OD1-NH1 3.49Å; N484-R628 PolarHBondContact OD1-NH2 2.91Å; H499-R628 WeakPolarHBondContact NE2-CD 3.47Å; H499-R628 PolarHBondContact NE2-NE 2.81Å; H499-R628 VanDerWaalsContact NE2-NE 3.11Å; E612-R628 IonicContact OE2-NE 3.88Å; V613-R628 CarbonylContact O-C 3.5Å; V613-R628 WeakPolarHBondContact O-CA 3.35Å; P625-R628 HydrophobicContact CB-CG 4.44Å; P625-R628 HydrophobicContact CG-CG 4.33Å |
| 629 | V | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 103.3 | 170.4 | -169.3 | 0 | 0 | 0 | 0 | 107.6 | V525 V527 V549 I597 E612 V613 F627 | V525-V629 HydrophobicContact CG1-CB 4.37Å; V525-V629 HydrophobicContact CG1-CG1 4.2Å; V525-V629 HydrophobicContact CG1-CG2 3.86Å; V527-V629 HydrophobicContact CG2-CG1 4.45Å; V549-V629 HydrophobicContact CG1-CG1 4.1Å; V549-V629 HydrophobicContact CG1-CG2 3.98Å; V549-V629 HydrophobicContact CG2-CG1 4.3Å; I597-V629 HydrophobicContact CD1-CB 4.23Å; I597-V629 HydrophobicContact CD1-CG1 3.96Å; I597-V629 HydrophobicContact CD1-CG2 4.33Å; E612-V629 VanDerWaalsContact CA-O 3.32Å; E612-V629 WeakPolarHBondContact CA-O 3.32Å; V613-V629 HydrophobicContact CB-CB 4.19Å; V613-V629 HydrophobicContact CB-CG2 4.41Å; V613-V629 PolarHBondContact N-O 2.79Å; V613-V629 PolarHBondContact O-N 2.95Å; F627-V629 HydrophobicContact CD2-CG2 4.41Å; F627-V629 HydrophobicContact CE2-CG2 4.41Å |
| 630 | P | 97.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 7% | 0.071 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136.2 | -179.7 | 27.1 | -31.5 | 0 | 0 | 0 | 111.1 | G418 G532 I533 Y610 | G418-P630 WeakPolarHBondContact O-CG 3.46Å; G532-P630 WeakPolarHBondContact CA-O 3.23Å; I533-P630 PolarHBondContact N-O 3.26Å; Y610-P630 HydrophobicContact CE2-CB 4.1Å |
| 631 | I | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 117.3 | -178.9 | -52.8 | 176.6 | 0 | 0 | 0 | 108.5 | I533 W579 V580 I597 V599 Y610 T611 V613 | I533-I631 HydrophobicContact CB-CB 4.46Å; I533-I631 HydrophobicContact CB-CG1 4.23Å; I533-I631 HydrophobicContact CB-CG2 4.13Å; I533-I631 HydrophobicContact CD1-CD1 4.18Å; I533-I631 HydrophobicContact CD1-CG1 4.1Å; I533-I631 HydrophobicContact CG2-CG2 4.22Å; I533-I631 CarbonylContact O-C 3.59Å; I533-I631 WeakPolarHBondContact O-CA 3.21Å; W579-I631 HydrophobicContact CH2-CB 4.49Å; W579-I631 HydrophobicContact CH2-CG2 3.85Å; W579-I631 HydrophobicContact CZ3-CG2 3.7Å; V580-I631 HydrophobicContact CB-CD1 4.43Å; V580-I631 HydrophobicContact CG1-CD1 3.56Å; V580-I631 HydrophobicContact CG2-CD1 3.98Å; V580-I631 HydrophobicContact CG2-CG2 4.19Å; I597-I631 HydrophobicContact CG2-CD1 3.85Å; V599-I631 HydrophobicContact CG1-CG2 4.46Å; V599-I631 HydrophobicContact CG2-CG2 3.97Å; Y610-I631 WeakPolarHBondContact CA-O 3.35Å; Y610-I631 WeakPolarHBondContact CD2-O 3.26Å; T611-I631 HydrophobicContact CG2-CB 4.1Å; T611-I631 HydrophobicContact CG2-CD1 4.48Å; T611-I631 PolarHBondContact N-O 2.96Å; T611-I631 PolarHBondContact O-N 2.82Å; T611-I631 VanDerWaalsContact O-O 3.11Å; V613-I631 HydrophobicContact CG2-CD1 3.95Å |
| 632 | T | 97.9 | Very high | 94 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.5 | 178.1 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | P414 F495 I533 Y534 L535 L608 H609 | P414-T632 HydrophobicContact CG-CG2 4.13Å; F495-T632 HydrophobicContact CE1-CG2 4.31Å; F495-T632 HydrophobicContact CZ-CG2 3.77Å; I533-T632 PolarHBondContact O-N 3.36Å; Y534-T632 WeakPolarHBondContact CA-O 3.37Å; Y534-T632 HydrophobicContact CD2-CG2 3.86Å; Y534-T632 HydrophobicContact CE2-CG2 3.69Å; L535-T632 PolarHBondContact N-O 2.98Å; L608-T632 HydrophobicContact CD1-CG2 3.66Å; H609-T632 WeakPolarHBondContact O-CA 3.43Å |
| 633 | A | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | L535 W579 L604 H609 | L535-A633 CarbonylContact O-C 3.59Å; L535-A633 WeakPolarHBondContact O-CA 3.17Å; W579-A633 HydrophobicContact CH2-CB 4.43Å; W579-A633 HydrophobicContact CZ3-CB 4.23Å; L604-A633 HydrophobicContact CD1-CB 4.21Å; H609-A633 PolarHBondContact N-O 3.37Å; H609-A633 PolarHBondContact O-N 3.05Å |
| 634 | V | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.1 | 176 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | Y534 L535 R536 L608 F663 | Y534-V634 HydrophobicContact CE2-CG2 4.06Å; L535-V634 PolarHBondContact O-N 3.34Å; R536-V634 HydrophobicContact CG-CB 4.42Å; R536-V634 HydrophobicContact CG-CG2 4.37Å; L608-V634 HydrophobicContact CD1-CG2 3.82Å; V634-F663 HydrophobicContact CB-CD1 4.49Å; V634-F663 HydrophobicContact CG1-CB 3.61Å; V634-F663 HydrophobicContact CG1-CD1 3.3Å; V634-F663 HydrophobicContact CG1-CD2 3.93Å; V634-F663 HydrophobicContact CG1-CE1 3.86Å; V634-F663 HydrophobicContact CG1-CE2 4.44Å; V634-F663 HydrophobicContact CG1-CG 3.31Å; V634-F663 HydrophobicContact CG1-CZ 4.4Å; V634-F663 HydrophobicContact CG2-CD1 4.4Å; V634-F663 HydrophobicContact CG2-CE1 4.12Å; V634-F663 HydrophobicContact CG2-CZ 4.35Å |
| 635 | I | 96.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 40.8 Ų | 40.8 | 14% | 0.138 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 103 | 174 | -51.2 | -55.6 | 0 | 0 | 0 | 107.5 | V541 P601 L604 R605 E606 G607 | V541-I635 HydrophobicContact CB-CD1 3.87Å; V541-I635 HydrophobicContact CG1-CD1 4.09Å; V541-I635 HydrophobicContact CG2-CD1 4.13Å; P601-I635 HydrophobicContact CB-CD1 4.16Å; L604-I635 HydrophobicContact CB-CD1 4.23Å; L604-I635 HydrophobicContact CB-CG1 3.75Å; L604-I635 HydrophobicContact CD1-CD1 4.5Å; R605-I635 WeakPolarHBondContact O-CB 3.3Å; E606-I635 WeakPolarHBondContact CA-O 3.34Å; G607-I635 PolarHBondContact N-O 3.31Å; G607-I635 PolarHBondContact O-N 2.87Å |
| 636 | A | 94.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 143.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F663 E665 | A636-F663 CarbonylContact C-O 3.57Å; A636-F663 WeakPolarHBondContact CA-O 3.24Å; A636-F663 HydrophobicContact CB-CB 4.2Å; A636-E665 HydrophobicContact CB-CB 4.37Å |
| 637 | A | 93.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 148.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F663 V664 E665 | A637-F663 PolarHBondContact N-O 2.89Å; A637-V664 WeakPolarHBondContact O-CA 3.44Å; A637-E665 PolarHBondContact O-N 2.84Å |
| 638 | K | 91 | Very high | 93.4 | Very high | 142 Ų | 142 | 46.7 Ų | 46.7 | 62% | 0.617 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 143.1 | 176.6 | -61.9 | -168.3 | -179.9 | -149.2 | 0 | 110.6 | E665 | K638-E665 WeakPolarHBondContact CE-OE2 3.47Å; K638-E665 IonicContact NZ-OE2 3.86Å; K638-E665 PolarHBondContact NZ-OE2 2.93Å |
| 639 | V | 90.3 | Very high | 93.4 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | trans | -121.3 | 131.6 | 176.2 | -147.9 | 0 | 0 | 0 | 0 | 108.7 | S643 D646 L647 V664 P667 F752 | V639-S643 WeakPolarHBondContact CG1-OG 3.11Å; V639-D646 WeakPolarHBondContact CG1-O 3.47Å; V639-L647 HydrophobicContact CG1-CD2 4.33Å; V639-L647 HydrophobicContact CG1-CG 4.13Å; V639-L647 HydrophobicContact CG2-CD1 3.83Å; V639-L647 HydrophobicContact CG2-CD2 4.13Å; V639-L647 HydrophobicContact CG2-CG 3.87Å; V639-V664 HydrophobicContact CG2-CG1 3.34Å; V639-P667 HydrophobicContact CB-CG 4.48Å; V639-F752 HydrophobicContact CG2-CD2 4.35Å; V639-F752 HydrophobicContact CG2-CE2 4.06Å | ||
| 640 | N | 88.1 | Confident | 93.2 | Very high | 88 Ų | 88 | 53 Ų | 53 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | trans | -128.2 | 170.2 | -167.7 | -60.4 | 5.6 | 0 | 0 | 0 | 110.8 | S642 S643 H644 Y645 | N640-S642 PolarHBondContact O-N 3.43Å; N640-S643 PolarHBondContact O-N 3.08Å; N640-S643 VanDerWaalsContact O-N 3.07Å; N640-S643 PolarHBondContact O-OG 3Å; N640-H644 PolarHBondContact O-N 3.13Å; N640-Y645 PolarHBondContact O-N 2.77Å | ||
| 641 | E | 85.9 | Confident | 93 | Very high | 146 Ų | 146 | 57.5 Ų | 57.5 | 68% | 0.682 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -55.9 | -34.3 | 176.3 | -169.5 | 179.3 | -173.8 | 0 | 0 | 112.9 | S643 H644 Y645 | E641-S643 PolarHBondContact O-N 3.01Å; E641-H644 WeakPolarHBondContact O-CA 3.16Å; E641-H644 PolarHBondContact O-N 3.4Å; E641-Y645 HydrophobicContact CB-CE2 4.26Å; E641-Y645 HydrophobicContact CG-CE2 4.45Å |
| 642 | S | 86.6 | Confident | 92.9 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 76% | 0.755 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -63.7 | -26.4 | 178.8 | 60 | 0 | 0 | 0 | 0 | 114.1 | N640 H644 | N640-S642 PolarHBondContact O-N 3.43Å; S642-H644 VanDerWaalsContact C-N 3.32Å |
| 643 | S | 85.7 | Confident | 92.7 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 33% | 0.329 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -97.4 | 13.2 | 173.2 | 65.5 | 0 | 0 | 0 | 0 | 111.7 | V639 N640 E641 Y645 D646 | V639-S643 WeakPolarHBondContact CG1-OG 3.11Å; N640-S643 PolarHBondContact O-N 3.08Å; N640-S643 VanDerWaalsContact O-N 3.07Å; N640-S643 PolarHBondContact O-OG 3Å; E641-S643 PolarHBondContact O-N 3.01Å; S643-Y645 PolarHBondContact O-N 3.39Å; S643-Y645 VanDerWaalsContact O-N 3.15Å; S643-D646 WeakPolarHBondContact O-CB 3.11Å; S643-D646 PolarHBondContact O-N 2.96Å; S643-D646 PolarHBondContact OG-O 2.63Å |
| 644 | H | 89.2 | Confident | 92.5 | Very high | 135 Ų | 135 | 61.6 Ų | 61.6 | 63% | 0.625 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 35.5 | -170.5 | -61.6 | -72.9 | 0 | 0 | 0 | 112.4 | N640 E641 S642 D646 K780 | N640-H644 PolarHBondContact O-N 3.13Å; E641-H644 WeakPolarHBondContact O-CA 3.16Å; E641-H644 PolarHBondContact O-N 3.4Å; S642-H644 VanDerWaalsContact C-N 3.32Å; H644-D646 PolarHBondContact O-N 2.95Å; H644-D646 VanDerWaalsContact O-N 3.16Å; H644-K780 WeakPolarHBondContact O-CE 3.35Å; H644-K780 PolarHBondContact O-NZ 2.74Å |
| 645 | Y | 93.8 | Very high | 92.2 | Very high | 38 Ų | 38 | 67.3 Ų | 67.3 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 26.6 | -176.2 | -52.5 | -76.5 | 0 | 0 | 0 | 114.7 | N640 E641 S643 P667 F752 L779 K780 | N640-Y645 PolarHBondContact O-N 2.77Å; E641-Y645 HydrophobicContact CB-CE2 4.26Å; E641-Y645 HydrophobicContact CG-CE2 4.45Å; S643-Y645 PolarHBondContact O-N 3.39Å; S643-Y645 VanDerWaalsContact O-N 3.15Å; Y645-P667 HydrophobicContact CD1-CB 3.99Å; Y645-P667 HydrophobicContact CD1-CG 3.75Å; Y645-P667 HydrophobicContact CE1-CB 4.2Å; Y645-P667 HydrophobicContact CE1-CG 4.4Å; Y645-F752 PolarHBondContact O-N 3.4Å; Y645-F752 VanDerWaalsContact O-N 3.16Å; Y645-L779 HydrophobicContact CD1-CD2 3.85Å; Y645-L779 HydrophobicContact CD2-CB 4.07Å; Y645-L779 HydrophobicContact CD2-CD2 4.08Å; Y645-L779 HydrophobicContact CE1-CD2 3.58Å; Y645-L779 HydrophobicContact CE2-CB 4.1Å; Y645-L779 HydrophobicContact CE2-CD2 3.84Å; Y645-L779 VanDerWaalsContact CE2-O 3.3Å; Y645-L779 WeakPolarHBondContact CE2-O 3.28Å; Y645-L779 HydrophobicContact CG-CD2 4.08Å; Y645-K780 HydrophobicContact CD2-CG 4.48Å |
| 646 | D | 93.7 | Very high | 91.8 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 146.8 | 178.6 | -60.5 | -22.4 | 0 | 0 | 0 | 112 | V639 S643 H644 T749 I750 S751 K780 | V639-D646 WeakPolarHBondContact CG1-O 3.47Å; S643-D646 WeakPolarHBondContact O-CB 3.11Å; S643-D646 PolarHBondContact O-N 2.96Å; S643-D646 PolarHBondContact OG-O 2.63Å; H644-D646 PolarHBondContact O-N 2.95Å; H644-D646 VanDerWaalsContact O-N 3.16Å; D646-T749 HydrophobicContact CB-CG2 4.15Å; D646-I750 CarbonylContact C-O 3.57Å; D646-I750 WeakPolarHBondContact CA-O 3.35Å; D646-S751 WeakPolarHBondContact OD1-CA 3.36Å; D646-S751 WeakPolarHBondContact OD1-CB 3.31Å; D646-S751 PolarHBondContact OD1-OG 3Å; D646-K780 IonicContact OD1-NZ 3.69Å; D646-K780 PolarHBondContact OD1-NZ 2.81Å; D646-K780 IonicContact OD2-NZ 2.74Å |
| 647 | L | 94.3 | Very high | 91.5 | Very high | 31 Ų | 31 | 66.5 Ų | 66.5 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 103.8 | 167.3 | -68.5 | 167.9 | 0 | 0 | 0 | 108.5 | V639 F649 V664 T749 I750 | V639-L647 HydrophobicContact CG1-CD2 4.33Å; V639-L647 HydrophobicContact CG1-CG 4.13Å; V639-L647 HydrophobicContact CG2-CD1 3.83Å; V639-L647 HydrophobicContact CG2-CD2 4.13Å; V639-L647 HydrophobicContact CG2-CG 3.87Å; L647-F649 HydrophobicContact CB-CE2 3.93Å; L647-F649 HydrophobicContact CB-CZ 4.35Å; L647-V664 HydrophobicContact CD1-CB 4.25Å; L647-V664 HydrophobicContact CD1-CG1 3.76Å; L647-V664 HydrophobicContact CD1-CG2 3.4Å; L647-V664 VanDerWaalsContact CD1-CG2 3.4Å; L647-T749 CarbonylContact O-C 3.43Å; L647-T749 VanDerWaalsContact O-CA 3.25Å; L647-T749 WeakPolarHBondContact O-CA 3.46Å; L647-I750 HydrophobicContact CB-CB 4.35Å; L647-I750 PolarHBondContact N-O 3.17Å; L647-I750 PolarHBondContact O-N 2.66Å |
| 648 | A | 95.1 | Very high | 91.5 | Very high | 71 Ų | 71 | 68.1 Ų | 68.1 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T749 | A648-T749 HydrophobicContact CB-CG2 4.37Å |
| 649 | F | 95.9 | Very high | 91.6 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 25% | 0.25 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.9 | 176.9 | -55.6 | -89.5 | 0 | 0 | 0 | 109.3 | L647 V652 H662 D747 Y748 | L647-F649 HydrophobicContact CB-CE2 3.93Å; L647-F649 HydrophobicContact CB-CZ 4.35Å; F649-V652 HydrophobicContact CB-CG2 3.59Å; F649-H662 AromaticContact CE1-CE1 3.45Å; F649-H662 VanDerWaalsContact CE1-CE1 3.45Å; F649-H662 WeakPolarHBondContact CE1-CE1 3.05Å; F649-H662 AromaticContact CE1-ND1 3.89Å; F649-H662 AromaticContact CE2-CE1 3.75Å; F649-H662 AromaticContact CZ-CE1 3.25Å; F649-H662 WeakPolarHBondContact CZ-CE1 3.18Å; F649-H662 AromaticContact CZ-ND1 3.41Å; F649-H662 WeakPolarHBondContact CZ-ND1 3.44Å; F649-H662 AromaticContact CZ-NE2 3.97Å; F649-D747 CarbonylContact O-C 3.6Å; F649-D747 WeakPolarHBondContact O-CA 3.27Å; F649-Y748 HydrophobicContact CB-CD1 4.29Å; F649-Y748 HydrophobicContact CB-CD2 4.45Å; F649-Y748 HydrophobicContact CB-CE1 3.91Å; F649-Y748 HydrophobicContact CB-CE2 4.09Å; F649-Y748 AromaticContact CD2-CD2 3.74Å; F649-Y748 HydrophobicContact CD2-CD2 3.74Å; F649-Y748 AromaticContact CD2-CE2 3.25Å; F649-Y748 HydrophobicContact CD2-CE2 3.25Å; F649-Y748 AromaticContact CD2-CZ 3.73Å; F649-Y748 HydrophobicContact CE2-CD2 4.48Å; F649-Y748 AromaticContact CE2-CE2 3.83Å; F649-Y748 HydrophobicContact CE2-CE2 3.83Å; F649-Y748 HydrophobicContact CG-CD2 4.45Å; F649-Y748 HydrophobicContact CG-CE1 4.42Å; F649-Y748 AromaticContact CG-CE2 3.81Å; F649-Y748 HydrophobicContact CG-CE2 3.81Å; F649-Y748 AromaticContact CG-CZ 3.78Å; F649-Y748 PolarHBondContact N-O 3.49Å; F649-Y748 PolarHBondContact O-N 3.4Å |
| 650 | T | 95.4 | Very high | 91.9 | Very high | 116 Ų | 116 | 67.2 Ų | 67.2 | 71% | 0.712 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 146.5 | -176.8 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | V652 D747 | T650-V652 VanDerWaalsContact C-N 3.25Å; T650-V652 PolarHBondContact O-N 3.47Å; T650-D747 WeakPolarHBondContact CA-OD1 3.47Å |
| 651 | D | 93.6 | Very high | 92.2 | Very high | 104 Ų | 104 | 64.9 Ų | 64.9 | 56% | 0.556 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48 | 44.8 | 178.8 | -164.9 | 31.3 | 0 | 0 | 0 | 113.2 | H653 N745 D747 | D651-H653 PolarHBondContact O-N 2.7Å; D651-N745 WeakPolarHBondContact OD1-CB 3.38Å; D651-N745 PolarHBondContact OD1-ND2 2.86Å; D651-D747 PolarHBondContact N-OD1 3.15Å |
| 652 | V | 95.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 112 | -176.9 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | F649 T650 F654 R660 N745 I746 Y748 | F649-V652 HydrophobicContact CB-CG2 3.59Å; T650-V652 VanDerWaalsContact C-N 3.25Å; T650-V652 PolarHBondContact O-N 3.47Å; V652-F654 HydrophobicContact CB-CE2 4.17Å; V652-F654 HydrophobicContact CG1-CD2 4.12Å; V652-F654 HydrophobicContact CG1-CE2 3.59Å; V652-F654 HydrophobicContact CG1-CZ 4.33Å; V652-F654 WeakPolarHBondContact O-CD2 3.48Å; V652-R660 HydrophobicContact CG1-CG 4.43Å; V652-N745 WeakPolarHBondContact O-CA 3.26Å; V652-I746 WeakPolarHBondContact CB-O 3.43Å; V652-I746 PolarHBondContact N-O 3.1Å; V652-I746 PolarHBondContact O-N 3.28Å; V652-Y748 HydrophobicContact CB-CE1 3.86Å; V652-Y748 HydrophobicContact CG1-CE1 4.07Å; V652-Y748 HydrophobicContact CG2-CD1 4.36Å; V652-Y748 HydrophobicContact CG2-CE1 3.64Å |
| 653 | H | 94.1 | Very high | 93.3 | Very high | 68 Ų | 68 | 54.8 Ų | 54.8 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 131.3 | 177.2 | -175.7 | 75.4 | 0 | 0 | 0 | 113.1 | D651 Q658 R660 D743 N745 | D651-H653 PolarHBondContact O-N 2.7Å; H653-Q658 PolarHBondContact O-OE1 3.49Å; H653-R660 PolarHBondContact O-NH2 2.83Å; H653-D743 VanDerWaalsContact CE1-CB 3.46Å; H653-D743 WeakPolarHBondContact CE1-CB 3.32Å; H653-D743 IonicContact CE1-OD2 2.93Å; H653-D743 PolarHBondContact CE1-OD2 2.88Å; H653-D743 VanDerWaalsContact CE1-OD2 3.24Å; H653-D743 IonicContact NE2-OD2 3.77Å; H653-D743 PolarHBondContact NE2-OD2 2.89Å; H653-N745 WeakPolarHBondContact CA-OD1 3.42Å; H653-N745 WeakPolarHBondContact CB-OD1 3.45Å; H653-N745 PolarHBondContact ND1-OD1 2.65Å |
| 654 | F | 92.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.4 | 176.3 | -80.5 | -93.6 | 0 | 0 | 0 | 112.6 | V652 Q658 R660 F688 I734 R736 D743 V744 I746 Y748 | V652-F654 HydrophobicContact CB-CE2 4.17Å; V652-F654 HydrophobicContact CG1-CD2 4.12Å; V652-F654 HydrophobicContact CG1-CE2 3.59Å; V652-F654 HydrophobicContact CG1-CZ 4.33Å; V652-F654 WeakPolarHBondContact O-CD2 3.48Å; F654-Q658 VanDerWaalsContact CA-OE1 3.27Å; F654-Q658 HydrophobicContact CD1-CB 4.27Å; F654-Q658 HydrophobicContact CD1-CG 4.47Å; F654-R660 HydrophobicContact CD1-CG 4.44Å; F654-R660 HydrophobicContact CE1-CB 4.12Å; F654-R660 HydrophobicContact CE1-CG 3.5Å; F654-R660 VanDerWaalsContact CE1-CG 3.5Å; F654-R660 HydrophobicContact CE2-CG 4.14Å; F654-R660 HydrophobicContact CZ-CB 3.88Å; F654-R660 HydrophobicContact CZ-CG 3.31Å; F654-F688 HydrophobicContact CB-CE1 4.33Å; F654-F688 HydrophobicContact CD1-CE1 4.07Å; F654-F688 HydrophobicContact CD2-CE1 4.15Å; F654-F688 HydrophobicContact CE1-CE1 4.38Å; F654-F688 HydrophobicContact CE2-CE1 4.48Å; F654-F688 AromaticContact CG-CE1 3.92Å; F654-F688 HydrophobicContact CG-CE1 3.92Å; F654-F688 HydrophobicContact CG-CZ 4.49Å; F654-I734 HydrophobicContact CE1-CG1 4.47Å; F654-I734 HydrophobicContact CE1-CG2 4.39Å; F654-I734 WeakPolarHBondContact CE1-O 3.45Å; F654-I734 HydrophobicContact CZ-CB 4.45Å; F654-I734 HydrophobicContact CZ-CG1 4.1Å; F654-I734 HydrophobicContact CZ-CG2 3.73Å; F654-R736 HydrophobicContact CB-CB 4.15Å; F654-R736 HydrophobicContact CB-CG 4.45Å; F654-R736 HydrophobicContact CD1-CB 3.97Å; F654-R736 HydrophobicContact CG-CB 4.45Å; F654-D743 WeakPolarHBondContact O-CA 3.32Å; F654-V744 HydrophobicContact CB-CG1 4.11Å; F654-V744 PolarHBondContact N-O 3.46Å; F654-V744 PolarHBondContact O-N 2.82Å; F654-V744 VanDerWaalsContact O-N 3.07Å; F654-I746 HydrophobicContact CD2-CD1 4.02Å; F654-I746 HydrophobicContact CD2-CG1 3.86Å; F654-I746 HydrophobicContact CE2-CD1 3.58Å; F654-I746 HydrophobicContact CE2-CG1 3.71Å; F654-I746 HydrophobicContact CZ-CD1 4.32Å; F654-Y748 HydrophobicContact CE2-CE1 4.31Å |
| 655 | K | 91.4 | Very high | 94.1 | Very high | 121 Ų | 121 | 48.6 Ų | 48.6 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | trans | -86.7 | 161.2 | 166 | -64.6 | -174.7 | 178.8 | -176.3 | 0 | 111.9 | G657 Q658 R736 D743 | K655-G657 PolarHBondContact O-N 3.42Å; K655-Q658 HydrophobicContact CB-CB 4.24Å; K655-Q658 WeakPolarHBondContact O-CB 3.34Å; K655-Q658 PolarHBondContact O-N 2.87Å; K655-R736 WeakPolarHBondContact O-CB 3.38Å; K655-R736 VanDerWaalsContact O-CG 3.26Å; K655-R736 WeakPolarHBondContact O-CG 3.46Å; K655-D743 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 656 | P | 88.4 | Confident | 94.2 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 124.4 | 172.8 | -29.9 | 38.5 | 0 | 0 | 0 | 112.6 | L402 Q658 S740 D743 | L402-P656 HydrophobicContact CD1-CB 3.77Å; L402-P656 HydrophobicContact CD1-CG 4.28Å; L402-P656 HydrophobicContact CD2-CB 4.42Å; L402-P656 HydrophobicContact CD2-CG 4.16Å; P656-Q658 PolarHBondContact O-N 2.91Å; P656-S740 WeakPolarHBondContact CB-O 3.37Å; P656-S740 WeakPolarHBondContact CG-O 3.38Å; P656-D743 WeakPolarHBondContact CD-OD1 3.22Å |
| 657 | G | 88.2 | Confident | 94.2 | Very high | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K655 R736 | K655-G657 PolarHBondContact O-N 3.42Å; G657-R736 VanDerWaalsContact CA-O 3.23Å; G657-R736 WeakPolarHBondContact CA-O 3.26Å; G657-R736 PolarHBondContact N-O 3.25Å |
| 658 | Q | 92.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | trans | -70.1 | 137.6 | 177.8 | -172.2 | 173.9 | 15.7 | 0 | 0 | 111 | H653 F654 K655 P656 A735 R736 | H653-Q658 PolarHBondContact O-OE1 3.49Å; F654-Q658 VanDerWaalsContact CA-OE1 3.27Å; F654-Q658 HydrophobicContact CD1-CB 4.27Å; F654-Q658 HydrophobicContact CD1-CG 4.47Å; K655-Q658 HydrophobicContact CB-CB 4.24Å; K655-Q658 WeakPolarHBondContact O-CB 3.34Å; K655-Q658 PolarHBondContact O-N 2.87Å; P656-Q658 PolarHBondContact O-N 2.91Å; Q658-A735 WeakPolarHBondContact O-CA 3.49Å; Q658-R736 PolarHBondContact O-N 3.4Å | ||
| 659 | I | 94.4 | Very high | 94 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.185 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.4 | 178.9 | -52.9 | 171.8 | 0 | 0 | 0 | 108.3 | P365 R412 R661 C733 A735 | P365-I659 HydrophobicContact CB-CD1 3.85Å; P365-I659 HydrophobicContact CB-CG1 4.43Å; P365-I659 HydrophobicContact CB-CG2 4.11Å; R412-I659 VanDerWaalsContact NH2-CD1 3.31Å; I659-R661 HydrophobicContact CG2-CG 3.93Å; I659-C733 HydrophobicContact CG2-CB 4.38Å; I659-A735 HydrophobicContact CB-CB 4.4Å; I659-A735 HydrophobicContact CG1-CB 3.84Å; I659-A735 HydrophobicContact CG2-CB 4.27Å |
| 660 | R | 95.4 | Very high | 94 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 37% | 0.366 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.5 | 165.9 | -60.4 | -69.2 | -172.6 | 161.7 | 4.1 | 108.2 | V652 H653 F654 C733 I734 | V652-R660 HydrophobicContact CG1-CG 4.43Å; H653-R660 PolarHBondContact O-NH2 2.83Å; F654-R660 HydrophobicContact CD1-CG 4.44Å; F654-R660 HydrophobicContact CE1-CB 4.12Å; F654-R660 HydrophobicContact CE1-CG 3.5Å; F654-R660 VanDerWaalsContact CE1-CG 3.5Å; F654-R660 HydrophobicContact CE2-CG 4.14Å; F654-R660 HydrophobicContact CZ-CB 3.88Å; F654-R660 HydrophobicContact CZ-CG 3.31Å; R660-C733 WeakPolarHBondContact O-CA 3.39Å; R660-I734 HydrophobicContact CB-CG2 4.05Å; R660-I734 PolarHBondContact N-O 3.46Å; R660-I734 PolarHBondContact O-N 2.94Å |
| 661 | R | 95.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 43.3 Ų | 43.3 | 14% | 0.143 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.1 | -176.1 | -48.4 | -175 | -173 | -75.2 | -1.8 | 109.4 | P365 E493 I659 F663 E731 C733 | P365-R661 PolarHBondContact O-NH1 3.33Å; E493-R661 VanDerWaalsContact CD-NE 3.29Å; E493-R661 IonicContact OE1-CZ 3.44Å; E493-R661 IonicContact OE1-NE 3.54Å; E493-R661 PolarHBondContact OE1-NE 3.33Å; E493-R661 IonicContact OE1-NH2 3.71Å; E493-R661 IonicContact OE2-CZ 3.86Å; E493-R661 IonicContact OE2-NE 3.01Å; E493-R661 PolarHBondContact OE2-NE 2.97Å; E493-R661 IonicContact OE2-NH2 3.03Å; E493-R661 PolarHBondContact OE2-NH2 2.83Å; I659-R661 HydrophobicContact CG2-CG 3.93Å; R661-F663 HydrophobicContact CB-CE2 4.49Å; R661-E731 IonicContact NH1-OE1 2.71Å; R661-C733 PolarHBondContact NH1-SG 2.92Å |
| 662 | H | 96.7 | Very high | 94.1 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.2 | 177.9 | -59.1 | -70.5 | 0 | 0 | 0 | 108.3 | F649 V664 E731 F732 Y748 | F649-H662 AromaticContact CE1-CE1 3.45Å; F649-H662 VanDerWaalsContact CE1-CE1 3.45Å; F649-H662 WeakPolarHBondContact CE1-CE1 3.05Å; F649-H662 AromaticContact CE1-ND1 3.89Å; F649-H662 AromaticContact CE2-CE1 3.75Å; F649-H662 AromaticContact CZ-CE1 3.25Å; F649-H662 WeakPolarHBondContact CZ-CE1 3.18Å; F649-H662 AromaticContact CZ-ND1 3.41Å; F649-H662 WeakPolarHBondContact CZ-ND1 3.44Å; F649-H662 AromaticContact CZ-NE2 3.97Å; H662-V664 HydrophobicContact CB-CG2 4.31Å; H662-E731 CarbonylContact O-C 3.53Å; H662-E731 WeakPolarHBondContact O-CA 3.45Å; H662-F732 PolarHBondContact N-O 2.88Å; H662-F732 PolarHBondContact O-N 2.86Å; H662-Y748 PolarHBondContact CE1-OH 3.45Å; H662-Y748 AromaticContact NE2-CE2 3.49Å; H662-Y748 WeakPolarHBondContact NE2-CE2 3.43Å; H662-Y748 AromaticContact NE2-CZ 3.56Å; H662-Y748 PolarHBondContact NE2-OH 2.84Å |
| 663 | F | 97.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.7 | 168.9 | -64.6 | -81.2 | 0 | 0 | 0 | 107.6 | L367 L608 V634 A636 A637 R661 I730 E731 | L367-F663 HydrophobicContact CD1-CE1 4.4Å; L367-F663 HydrophobicContact CD1-CZ 3.81Å; L367-F663 HydrophobicContact CG-CZ 4.49Å; L608-F663 HydrophobicContact CB-CE2 3.9Å; L608-F663 HydrophobicContact CB-CZ 4.44Å; L608-F663 HydrophobicContact CD1-CZ 4.46Å; V634-F663 HydrophobicContact CB-CD1 4.49Å; V634-F663 HydrophobicContact CG1-CB 3.61Å; V634-F663 HydrophobicContact CG1-CD1 3.3Å; V634-F663 HydrophobicContact CG1-CD2 3.93Å; V634-F663 HydrophobicContact CG1-CE1 3.86Å; V634-F663 HydrophobicContact CG1-CE2 4.44Å; V634-F663 HydrophobicContact CG1-CG 3.31Å; V634-F663 HydrophobicContact CG1-CZ 4.4Å; V634-F663 HydrophobicContact CG2-CD1 4.4Å; V634-F663 HydrophobicContact CG2-CE1 4.12Å; V634-F663 HydrophobicContact CG2-CZ 4.35Å; A636-F663 CarbonylContact C-O 3.57Å; A636-F663 WeakPolarHBondContact CA-O 3.24Å; A636-F663 HydrophobicContact CB-CB 4.2Å; A637-F663 PolarHBondContact N-O 2.89Å; R661-F663 HydrophobicContact CB-CE2 4.49Å; F663-I730 CarbonylContact C-O 3.45Å; F663-I730 WeakPolarHBondContact CA-O 3.36Å; F663-E731 HydrophobicContact CD1-CB 3.81Å; F663-E731 HydrophobicContact CD1-CG 4.08Å; F663-E731 HydrophobicContact CE1-CB 3.62Å; F663-E731 HydrophobicContact CE1-CG 3.57Å; F663-E731 HydrophobicContact CZ-CG 3.98Å |
| 664 | V | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.5 | -173.6 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | A637 V639 L647 H662 V666 A729 I730 F752 | A637-V664 WeakPolarHBondContact O-CA 3.44Å; V639-V664 HydrophobicContact CG2-CG1 3.34Å; L647-V664 HydrophobicContact CD1-CB 4.25Å; L647-V664 HydrophobicContact CD1-CG1 3.76Å; L647-V664 HydrophobicContact CD1-CG2 3.4Å; L647-V664 VanDerWaalsContact CD1-CG2 3.4Å; H662-V664 HydrophobicContact CB-CG2 4.31Å; V664-V666 PolarHBondContact O-N 2.89Å; V664-A729 WeakPolarHBondContact O-CA 3.34Å; V664-I730 HydrophobicContact CB-CG2 3.85Å; V664-I730 PolarHBondContact N-O 3.25Å; V664-I730 WeakPolarHBondContact O-CG2 3.37Å; V664-I730 PolarHBondContact O-N 2.87Å; V664-F752 HydrophobicContact CB-CZ 4.26Å; V664-F752 HydrophobicContact CG1-CE2 3.74Å; V664-F752 HydrophobicContact CG1-CZ 3.82Å |
| 665 | E | 95.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 40.3 Ų | 40.3 | 24% | 0.238 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 106.3 | 166.6 | 179.6 | 171 | 179.1 | 0 | 0 | 107.3 | P538 A636 A637 K638 P667 | P538-E665 HydrophobicContact CG-CB 4.14Å; P538-E665 HydrophobicContact CG-CG 3.67Å; A636-E665 HydrophobicContact CB-CB 4.37Å; A637-E665 PolarHBondContact O-N 2.84Å; K638-E665 WeakPolarHBondContact CE-OE2 3.47Å; K638-E665 IonicContact NZ-OE2 3.86Å; K638-E665 PolarHBondContact NZ-OE2 2.93Å; E665-P667 WeakPolarHBondContact O-CD 3.32Å |
| 666 | V | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -64 | 123.6 | -178.9 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | V664 A670 V724 L725 G727 K728 I730 F752 | V664-V666 PolarHBondContact O-N 2.89Å; V666-A670 HydrophobicContact CG1-CB 3.65Å; V666-V724 HydrophobicContact CG1-CB 4.19Å; V666-V724 HydrophobicContact CG1-CG2 3.76Å; V666-L725 WeakPolarHBondContact CB-O 3.32Å; V666-L725 WeakPolarHBondContact CG1-O 3.43Å; V666-G727 PolarHBondContact O-N 2.71Å; V666-K728 WeakPolarHBondContact CB-O 3.39Å; V666-K728 WeakPolarHBondContact CG2-O 3.31Å; V666-K728 PolarHBondContact N-O 3.3Å; V666-I730 HydrophobicContact CG2-CB 3.67Å; V666-I730 HydrophobicContact CG2-CG2 3.4Å; V666-I730 VanDerWaalsContact CG2-CG2 3.4Å; V666-F752 HydrophobicContact CB-CE1 4.44Å; V666-F752 HydrophobicContact CG1-CD1 4Å; V666-F752 HydrophobicContact CG1-CE1 4.04Å; V666-F752 HydrophobicContact CG2-CE1 3.99Å |
| 667 | P | 94.9 | Very high | 95.2 | Very high | 13 Ų | 13 | 35 Ų | 35 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 143.5 | -179.4 | -26.8 | 34.9 | 0 | 0 | 0 | 112.4 | V639 Y645 E665 G669 A670 G726 F752 L779 | V639-P667 HydrophobicContact CB-CG 4.48Å; Y645-P667 HydrophobicContact CD1-CB 3.99Å; Y645-P667 HydrophobicContact CD1-CG 3.75Å; Y645-P667 HydrophobicContact CE1-CB 4.2Å; Y645-P667 HydrophobicContact CE1-CG 4.4Å; E665-P667 WeakPolarHBondContact O-CD 3.32Å; P667-G669 PolarHBondContact O-N 2.86Å; P667-A670 WeakPolarHBondContact O-CB 3.14Å; P667-A670 PolarHBondContact O-N 2.84Å; P667-A670 VanDerWaalsContact O-N 3.17Å; P667-G726 WeakPolarHBondContact O-CA 3.39Å; P667-F752 HydrophobicContact CG-CB 4.25Å; P667-F752 HydrophobicContact CG-CD2 4.41Å; P667-F752 HydrophobicContact CG-CG 4.32Å; P667-L779 HydrophobicContact CB-CD1 4.38Å; P667-L779 HydrophobicContact CB-CD2 3.67Å |
| 668 | E | 92.3 | Very high | 95.5 | Very high | 164 Ų | 164 | 36.5 Ų | 36.5 | 77% | 0.766 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 136.4 | 172.6 | -77.5 | -159 | -175.3 | 0 | 0 | 111 | A670 | E668-A670 VanDerWaalsContact C-N 3.34Š|
| 669 | G | 92 | Very high | 95.6 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P667 G754 V756 | P667-G669 PolarHBondContact O-N 2.86Å; G669-G754 VanDerWaalsContact O-CA 3.22Å; G669-G754 WeakPolarHBondContact O-CA 3.5Å; G669-V756 VanDerWaalsContact O-CG2 3.3Å; G669-V756 WeakPolarHBondContact O-CG2 3.34Å |
| 670 | A | 95.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | trans | -67.9 | 135.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | V666 P667 E668 V724 F752 H753 L779 | V666-A670 HydrophobicContact CG1-CB 3.65Å; P667-A670 WeakPolarHBondContact O-CB 3.14Å; P667-A670 PolarHBondContact O-N 2.84Å; P667-A670 VanDerWaalsContact O-N 3.17Å; E668-A670 VanDerWaalsContact C-N 3.34Å; A670-V724 HydrophobicContact CB-CG2 3.94Å; A670-F752 HydrophobicContact CB-CB 4.36Å; A670-F752 HydrophobicContact CB-CD1 4.47Å; A670-H753 CarbonylContact C-O 3.18Å; A670-H753 VanDerWaalsContact CA-O 3.26Å; A670-H753 WeakPolarHBondContact CA-O 3.36Å; A670-L779 VanDerWaalsContact CA-CD1 3.47Å; A670-L779 HydrophobicContact CB-CD1 3.6Å | ||
| 671 | T | 94.8 | Very high | 94.7 | Very high | 49 Ų | 49 | 32.3 Ų | 32.3 | 30% | 0.301 | 17% | 0.173 | S | C | . | . | trans | -122.6 | -19.2 | 176.9 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | P723 V724 H753 I755 V756 | T671-P723 WeakPolarHBondContact O-CA 3.37Å; T671-V724 PolarHBondContact O-N 3.13Å; T671-H753 PolarHBondContact N-O 3.14Å; T671-I755 WeakPolarHBondContact CG2-O 3.49Å; T671-I755 PolarHBondContact OG1-N 2.77Å; T671-I755 VanDerWaalsContact OG1-N 3.11Å; T671-I755 PolarHBondContact OG1-O 3.08Å; T671-V756 HydrophobicContact CG2-CG2 3.91Å | ||
| 672 | W | 96.7 | Very high | 93.8 | Very high | 63 Ų | 63 | 33.7 Ų | 33.7 | 24% | 0.239 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 160.4 | 166.3 | 74.9 | 98.4 | 0 | 0 | 0 | 111.8 | F722 H753 I755 E782 | W672-F722 CarbonylContact C-O 3.53Å; W672-F722 VanDerWaalsContact CA-O 3.27Å; W672-F722 WeakPolarHBondContact CA-O 3.49Å; W672-F722 WeakPolarHBondContact CB-O 3.47Å; W672-H753 HydrophobicContact CD2-CB 3.6Å; W672-H753 AromaticContact CE2-CG 3.72Å; W672-H753 HydrophobicContact CE3-CB 4.05Å; W672-H753 HydrophobicContact CG-CB 4.2Å; W672-H753 HydrophobicContact CH2-CB 3.68Å; W672-H753 HydrophobicContact CZ2-CB 3.19Å; W672-H753 AromaticContact CZ2-CG 3.77Å; W672-H753 HydrophobicContact CZ3-CB 4.09Å; W672-H753 PolarHBondContact N-O 3.37Å; W672-H753 AromaticContact NE1-CD2 3.69Å; W672-H753 AromaticContact NE1-CG 3.6Å; W672-H753 PolarHBondContact O-N 3.21Å; W672-I755 HydrophobicContact CH2-CD1 4.08Å; W672-I755 HydrophobicContact CH2-CG1 4Å; W672-I755 HydrophobicContact CZ3-CB 4.3Å; W672-I755 HydrophobicContact CZ3-CD1 4.3Å; W672-I755 HydrophobicContact CZ3-CG1 3.96Å; W672-E782 HydrophobicContact CH2-CG 4.11Å |
| 673 | A | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 146.6 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | A721 F722 V724 S751 F752 | A673-A721 CarbonylContact O-C 3.54Å; A673-A721 VanDerWaalsContact O-CA 3.26Å; A673-A721 WeakPolarHBondContact O-CA 3.4Å; A673-F722 HydrophobicContact CB-CE1 4.46Å; A673-F722 HydrophobicContact CB-CE2 3.95Å; A673-F722 HydrophobicContact CB-CZ 3.91Å; A673-F722 PolarHBondContact N-O 2.94Å; A673-F722 PolarHBondContact O-N 3.36Å; A673-V724 HydrophobicContact CB-CG1 3.69Å; A673-S751 CarbonylContact C-O 3.57Å; A673-S751 VanDerWaalsContact CA-O 3.29Å; A673-S751 WeakPolarHBondContact CA-O 3.33Å; A673-F752 HydrophobicContact CB-CD1 3.94Å; A673-F752 HydrophobicContact CB-CE1 3.93Å |
| 674 | E | 97.2 | Very high | 92 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132 | 171.3 | -175.6 | -179.8 | 92.1 | 0 | 0 | 109 | I719 I750 S751 | E674-I719 HydrophobicContact CG-CG2 3.55Å; E674-I750 WeakPolarHBondContact O-CA 3.38Å; E674-S751 PolarHBondContact N-O 2.91Å; E674-S751 PolarHBondContact O-N 2.9Å |
| 675 | V | 97.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120 | 174 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | V677 I719 E720 F722 F732 T749 I750 | V675-V677 HydrophobicContact CG1-CG2 3.9Å; V675-I719 WeakPolarHBondContact O-CA 3.28Å; V675-E720 PolarHBondContact N-O 2.98Å; V675-E720 PolarHBondContact O-N 3.13Å; V675-F722 HydrophobicContact CG2-CE1 3.69Å; V675-F722 HydrophobicContact CG2-CZ 4.24Å; V675-F732 HydrophobicContact CB-CZ 4.32Å; V675-F732 HydrophobicContact CG1-CE1 4.3Å; V675-F732 HydrophobicContact CG1-CE2 4.47Å; V675-F732 HydrophobicContact CG1-CZ 3.76Å; V675-F732 HydrophobicContact CG2-CD2 4.4Å; V675-F732 HydrophobicContact CG2-CE1 4.43Å; V675-F732 HydrophobicContact CG2-CE2 3.8Å; V675-F732 HydrophobicContact CG2-CZ 3.82Å; V675-T749 WeakPolarHBondContact CA-O 3.25Å; V675-I750 HydrophobicContact CG2-CG1 4.19Å; V675-I750 HydrophobicContact CG2-CG2 4.22Å |
| 676 | T | 97.2 | Very high | 91.2 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 19% | 0.19 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.8 | 172 | -65.6 | 0 | 0 | 0 | 0 | 109 | T717 L718 I719 Y748 T749 | T676-T717 HydrophobicContact CG2-CG2 3.75Å; T676-L718 CarbonylContact C-O 3.51Å; T676-L718 WeakPolarHBondContact CA-O 3.35Å; T676-I719 HydrophobicContact CG2-CG1 4.17Å; T676-Y748 CarbonylContact O-C 3.51Å; T676-Y748 WeakPolarHBondContact O-CA 3.44Å; T676-Y748 WeakPolarHBondContact O-CB 3.24Å; T676-T749 PolarHBondContact N-O 3.29Å; T676-T749 PolarHBondContact O-N 3.4Å |
| 677 | V | 96.4 | Very high | 91 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.4 | 176.6 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | V675 L690 L712 T717 L718 I734 I746 | V675-V677 HydrophobicContact CG1-CG2 3.9Å; V677-L690 HydrophobicContact CG2-CD1 4.43Å; V677-L690 HydrophobicContact CG2-CD2 4.39Å; V677-L712 HydrophobicContact CG1-CD2 3.9Å; V677-T717 CarbonylContact O-C 3.44Å; V677-T717 WeakPolarHBondContact O-CA 3.39Å; V677-L718 PolarHBondContact N-O 2.91Å; V677-L718 PolarHBondContact O-N 3Å; V677-I734 HydrophobicContact CG1-CD1 4.32Å; V677-I734 HydrophobicContact CG2-CD1 4.24Å; V677-I746 HydrophobicContact CG1-CB 4.32Å; V677-I746 HydrophobicContact CG1-CD1 3.8Å; V677-I746 HydrophobicContact CG1-CG2 4.49Å |
| 678 | C | 95.3 | Very high | 91 | Very high | 34 Ų | 34 | 46.8 Ų | 46.8 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.3 | -179.2 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | T717 I746 D747 | C678-T717 VanDerWaalsContact SG-CG2 3.6Å; C678-T717 PolarHBondContact SG-OG1 3.45Å; C678-I746 VanDerWaalsContact O-CA 3.28Å; C678-I746 WeakPolarHBondContact O-CA 3.42Å; C678-I746 WeakPolarHBondContact O-CB 3.28Å; C678-D747 HydrophobicContact CB-CB 4.29Å; C678-D747 PolarHBondContact N-O 3.02Å; C678-D747 PolarHBondContact O-N 2.91Å |
| 679 | S | 92.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 125.3 | 173.8 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | S681 P713 G716 | S679-S681 VanDerWaalsContact C-N 3.27Å; S679-S681 PolarHBondContact OG-N 3.47Å; S679-S681 PolarHBondContact OG-O 2.8Å; S679-P713 WeakPolarHBondContact CB-O 3.4Å; S679-G716 PolarHBondContact N-O 2.98Å |
| 680 | C | 89.8 | Confident | 91.4 | Very high | 57 Ų | 57 | 38.1 Ų | 38.1 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | trans | -81.8 | -10.9 | 168.5 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | N745 I746 D747 | C680-N745 HydrophobicContact CB-CB 4.06Å; C680-N745 WeakPolarHBondContact CB-O 3.18Å; C680-N745 PolarHBondContact N-O 3.21Å; C680-N745 VanDerWaalsContact N-O 3.08Å; C680-I746 VanDerWaalsContact SG-C 3.58Å; C680-D747 VanDerWaalsContact SG-CG 3.57Å | ||
| 681 | S | 82.4 | Confident | 91.5 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | trans | -86 | 135.6 | -177.8 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | S679 E683 V684 K715 | S679-S681 VanDerWaalsContact C-N 3.27Å; S679-S681 PolarHBondContact OG-N 3.47Å; S679-S681 PolarHBondContact OG-O 2.8Å; S681-E683 PolarHBondContact OG-N 2.89Å; S681-V684 PolarHBondContact OG-N 2.87Å; S681-K715 PolarHBondContact O-N 3.22Å | ||
| 682 | S | 75.7 | Confident | 91.7 | Very high | 67 Ų | 67 | 35.6 Ų | 35.6 | 47% | 0.469 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -91.2 | -6.2 | 174.8 | 50.7 | 0 | 0 | 0 | 0 | 114.8 | K715 | S682-K715 VanDerWaalsContact CB-CE 3.44Š|
| 683 | E | 76.9 | Confident | 91.7 | Very high | 161 Ų | 161 | 32.6 Ų | 32.6 | 75% | 0.752 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -132.5 | -15.2 | -165.4 | -63 | -179.7 | -177.1 | 0 | 0 | 113.9 | S681 | S681-E683 PolarHBondContact OG-N 2.89Š|
| 684 | V | 80.4 | Confident | 91.7 | Very high | 40 Ų | 40 | 32.9 Ų | 32.9 | 24% | 0.242 | 19% | 0.187 | C | C | . | . | trans | -128.3 | 116.4 | -170 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | S681 | S681-V684 PolarHBondContact OG-N 2.87Š| ||
| 685 | S | 85.4 | Confident | 91.6 | Very high | 80 Ų | 80 | 31.2 Ų | 31.2 | 56% | 0.559 | 18% | 0.18 | S | C | * | . | trans | -71.7 | 146.5 | 162.7 | 68 | 0 | 0 | 0 | 0 | 111 | L712 | S685-L712 CarbonylContact C-O 3.48Å; S685-L712 WeakPolarHBondContact CA-O 3.46Å | ||
| 686 | A | 88.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 129.6 | -164.1 | 0 | 0 | 0 | 0 | 0 | 112 | F688 S711 L712 R736 V744 | A686-F688 HydrophobicContact CB-CD2 4.19Å; A686-F688 HydrophobicContact CB-CE2 3.61Å; A686-F688 HydrophobicContact CB-CZ 4.46Å; A686-S711 CarbonylContact O-C 3.6Å; A686-L712 HydrophobicContact CB-CB 4.31Å; A686-L712 PolarHBondContact N-O 2.92Å; A686-L712 WeakPolarHBondContact O-CB 3.35Å; A686-L712 PolarHBondContact O-N 2.92Å; A686-R736 VanDerWaalsContact C-NH1 3.27Å; A686-V744 HydrophobicContact CB-CG1 4.37Å; A686-V744 HydrophobicContact CB-CG2 4.14Å |
| 687 | K | 92.8 | Very high | 91.1 | Very high | 101 Ų | 101 | 40.1 Ų | 40.1 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.2 | 174.3 | -62.5 | -175.5 | -178.8 | -178.1 | 0 | 111.1 | F709 C710 R736 W737 | K687-F709 HydrophobicContact CB-CZ 3.99Å; K687-F709 HydrophobicContact CD-CE1 4.15Å; K687-F709 HydrophobicContact CD-CZ 3.82Å; K687-F709 HydrophobicContact CG-CZ 4.3Å; K687-C710 WeakPolarHBondContact CA-O 3.1Å; K687-R736 PolarHBondContact O-NH1 3.07Å; K687-W737 HydrophobicContact CB-CB 3.91Å; K687-W737 PolarHBondContact O-N 3.23Å; K687-W737 VanDerWaalsContact O-N 3.13Å |
| 688 | F | 93.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 155.5 | 179.1 | -71.2 | -84.8 | 0 | 0 | 0 | 111.4 | F654 A686 C710 L712 I734 A735 R736 V744 I746 | F654-F688 HydrophobicContact CB-CE1 4.33Å; F654-F688 HydrophobicContact CD1-CE1 4.07Å; F654-F688 HydrophobicContact CD2-CE1 4.15Å; F654-F688 HydrophobicContact CE1-CE1 4.38Å; F654-F688 HydrophobicContact CE2-CE1 4.48Å; F654-F688 AromaticContact CG-CE1 3.92Å; F654-F688 HydrophobicContact CG-CE1 3.92Å; F654-F688 HydrophobicContact CG-CZ 4.49Å; A686-F688 HydrophobicContact CB-CD2 4.19Å; A686-F688 HydrophobicContact CB-CE2 3.61Å; A686-F688 HydrophobicContact CB-CZ 4.46Å; F688-C710 PolarHBondContact N-O 2.82Å; F688-C710 PolarHBondContact O-N 3.41Å; F688-L712 HydrophobicContact CD2-CB 4.42Å; F688-L712 HydrophobicContact CE2-CD2 4.11Å; F688-I734 HydrophobicContact CD1-CD1 4.15Å; F688-I734 HydrophobicContact CD1-CG1 3.79Å; F688-I734 HydrophobicContact CE1-CG1 4.34Å; F688-I734 HydrophobicContact CG-CG1 4.42Å; F688-A735 CarbonylContact C-O 3.52Å; F688-A735 VanDerWaalsContact CA-O 3.26Å; F688-A735 WeakPolarHBondContact CA-O 3.25Å; F688-R736 HydrophobicContact CD1-CB 4.43Å; F688-R736 HydrophobicContact CE1-CB 4.14Å; F688-V744 HydrophobicContact CE2-CG1 4.38Å; F688-V744 HydrophobicContact CZ-CG1 3.74Å; F688-I746 HydrophobicContact CE1-CD1 4.07Å; F688-I746 HydrophobicContact CE2-CD1 4.44Å; F688-I746 HydrophobicContact CE2-CG2 3.98Å; F688-I746 HydrophobicContact CZ-CD1 3.9Å; F688-I746 HydrophobicContact CZ-CG1 4.47Å; F688-I746 HydrophobicContact CZ-CG2 3.88Å |
| 689 | V | 95.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.5 | 163.2 | 174.8 | 0 | 0 | 0 | 0 | 107.3 | P365 H691 Y707 K708 F709 I734 A735 | P365-V689 HydrophobicContact CG-CG1 4.37Å; V689-H691 HydrophobicContact CG1-CB 4.33Å; V689-Y707 HydrophobicContact CG1-CD2 4.22Å; V689-Y707 HydrophobicContact CG1-CE1 4.49Å; V689-Y707 HydrophobicContact CG1-CE2 3.48Å; V689-Y707 VanDerWaalsContact CG1-CE2 3.48Å; V689-K708 WeakPolarHBondContact CA-O 3.47Å; V689-F709 HydrophobicContact CG2-CD2 3.72Å; V689-F709 HydrophobicContact CG2-CE2 4.32Å; V689-I734 WeakPolarHBondContact O-CA 3.33Å; V689-A735 HydrophobicContact CB-CB 4.36Å; V689-A735 PolarHBondContact N-O 2.81Å; V689-A735 PolarHBondContact O-N 3.31Å |
| 690 | L | 97.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.9 | 167.1 | -48.8 | -177.1 | 0 | 0 | 0 | 107.3 | V677 F706 K708 L718 F732 C733 I734 | V677-L690 HydrophobicContact CG2-CD1 4.43Å; V677-L690 HydrophobicContact CG2-CD2 4.39Å; L690-F706 HydrophobicContact CB-CE1 3.92Å; L690-K708 HydrophobicContact CB-CB 4.44Å; L690-K708 PolarHBondContact N-O 3.39Å; L690-K708 PolarHBondContact O-N 3.16Å; L690-L718 HydrophobicContact CD1-CD2 4.17Å; L690-F732 HydrophobicContact CB-CE2 4.25Å; L690-F732 HydrophobicContact CB-CZ 4.29Å; L690-F732 HydrophobicContact CD2-CZ 4.21Å; L690-C733 WeakPolarHBondContact CA-O 3.41Å; L690-I734 HydrophobicContact CD2-CB 4.02Å; L690-I734 HydrophobicContact CD2-CD1 3.62Å; L690-I734 HydrophobicContact CD2-CG1 3.73Å |
| 691 | H | 98.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 123.8 | -177.6 | -168.2 | 166.6 | 0 | 0 | 0 | 109.1 | N363 G364 P365 C366 V689 V693 E705 F706 Y707 F732 C733 | N363-H691 PolarHBondContact O-CE1 3.04Å; G364-H691 PolarHBondContact O-ND1 3.02Å; P365-H691 WeakPolarHBondContact CD-ND1 3.36Å; P365-H691 HydrophobicContact CG-CB 4.05Å; C366-H691 VanDerWaalsContact SG-C 3.57Å; C366-H691 VanDerWaalsContact SG-CG 3.52Å; C366-H691 PolarHBondContact SG-O 3.42Å; V689-H691 HydrophobicContact CG1-CB 4.33Å; H691-V693 VanDerWaalsContact NE2-CG2 3.28Å; H691-V693 WeakPolarHBondContact NE2-CG2 3.43Å; H691-E705 IonicContact CE1-OE1 2.74Å; H691-E705 PolarHBondContact CE1-OE1 2.94Å; H691-E705 IonicContact NE2-OE1 3.49Å; H691-E705 PolarHBondContact NE2-OE1 2.96Å; H691-E705 VanDerWaalsContact NE2-OE1 3.15Å; H691-F706 CarbonylContact C-O 3.45Å; H691-F706 VanDerWaalsContact CA-O 3.23Å; H691-F706 WeakPolarHBondContact CA-O 3.48Å; H691-F706 PolarHBondContact CD2-O 2.8Å; H691-F706 VanDerWaalsContact CD2-O 3.25Å; H691-Y707 HydrophobicContact CB-CD2 4.1Å; H691-Y707 AromaticContact CE1-CD2 3.79Å; H691-Y707 AromaticContact CG-CD2 3.66Å; H691-Y707 AromaticContact ND1-CD2 3.47Å; H691-Y707 WeakPolarHBondContact ND1-CD2 3.34Å; H691-Y707 AromaticContact ND1-CE2 3.79Å; H691-F732 CarbonylContact O-C 3.56Å; H691-F732 WeakPolarHBondContact O-CA 3.44Å; H691-C733 HydrophobicContact CB-CB 4.43Å; H691-C733 PolarHBondContact N-O 2.79Å; H691-C733 PolarHBondContact O-N 2.74Å |
| 692 | A | 98.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E705 F706 F722 I730 E731 F732 | A692-E705 WeakPolarHBondContact O-CA 3.41Å; A692-F706 HydrophobicContact CB-CB 4.01Å; A692-F706 HydrophobicContact CB-CD1 4.33Å; A692-F706 PolarHBondContact N-O 3.37Å; A692-F706 PolarHBondContact O-N 3.01Å; A692-F722 HydrophobicContact CB-CD2 4.23Å; A692-F722 HydrophobicContact CB-CE1 4.47Å; A692-F722 HydrophobicContact CB-CE2 3.55Å; A692-F722 HydrophobicContact CB-CZ 3.69Å; A692-I730 HydrophobicContact CB-CD1 3.92Å; A692-I730 HydrophobicContact CB-CG1 4.33Å; A692-E731 CarbonylContact C-O 3.6Å; A692-E731 WeakPolarHBondContact CA-O 3.17Å; A692-F732 HydrophobicContact CB-CD2 3.92Å |
| 693 | V | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 130.6 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | C366 T369 H691 L695 E705 E731 | C366-V693 HydrophobicContact CB-CB 4.13Å; C366-V693 HydrophobicContact CB-CG2 3.54Å; T369-V693 HydrophobicContact CG2-CG2 4.37Å; H691-V693 VanDerWaalsContact NE2-CG2 3.28Å; H691-V693 WeakPolarHBondContact NE2-CG2 3.43Å; V693-L695 HydrophobicContact CG1-CD2 3.88Å; V693-E705 HydrophobicContact CG2-CG 4.45Å; V693-E731 PolarHBondContact N-O 3.16Å; V693-E731 PolarHBondContact O-N 2.82Å |
| 694 | Q | 96.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.3 | 165.8 | -67 | -171.1 | -88.3 | 0 | 0 | 110.8 | H704 V724 L725 I730 | Q694-H704 HydrophobicContact CB-CB 4.2Å; Q694-H704 PolarHBondContact N-O 3.17Å; Q694-V724 VanDerWaalsContact OE1-CA 3.28Å; Q694-L725 PolarHBondContact NE2-O 3.26Å; Q694-I730 HydrophobicContact CG-CB 3.65Å; Q694-I730 HydrophobicContact CG-CD1 3.93Å; Q694-I730 HydrophobicContact CG-CG1 3.64Å |
| 695 | L | 95 | Very high | 93.6 | Very high | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | trans | -93 | 131.7 | 179.3 | -59.1 | -173.7 | 0 | 0 | 0 | 111.3 | Y534 V693 K728 | Y534-L695 HydrophobicContact CE1-CD1 3.99Å; V693-L695 HydrophobicContact CG1-CD2 3.88Å; L695-K728 PolarHBondContact O-NZ 3.15Å; L695-K728 VanDerWaalsContact O-NZ 3.11Å | ||
| 696 | V | 93.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | trans | -121.7 | 134.5 | 172.2 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | Q698 R699 L725 | V696-Q698 PolarHBondContact O-N 3.26Å; V696-R699 HydrophobicContact CB-CB 4.2Å; V696-R699 HydrophobicContact CB-CG 4.49Å; V696-R699 HydrophobicContact CG1-CB 4.49Å; V696-R699 HydrophobicContact CG1-CG 4.25Å; V696-R699 PolarHBondContact O-N 2.95Å; V696-R699 VanDerWaalsContact O-N 3.14Å; V696-L725 HydrophobicContact CG2-CD1 3.47Å; V696-L725 VanDerWaalsContact CG2-CD1 3.47Å | ||
| 697 | K | 90.6 | Very high | 94.5 | Very high | 180 Ų | 180 | 47.8 Ų | 47.8 | 78% | 0.783 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 135.3 | -179.4 | -175.3 | 175.8 | 179.2 | -178.8 | 0 | 110.2 | R699 | K697-R699 PolarHBondContact O-N 3.48Š|
| 698 | Q | 90.2 | Very high | 94.6 | Very high | 131 Ų | 131 | 46.5 Ų | 46.5 | 61% | 0.612 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 29.5 | -179.3 | -66 | 170.5 | -17.6 | 0 | 0 | 113.9 | H334 W335 V696 | H334-Q698 CarbonylContact O-C 3.56Å; W335-Q698 HydrophobicContact CE3-CB 4.17Å; W335-Q698 HydrophobicContact CE3-CG 4.4Å; V696-Q698 PolarHBondContact O-N 3.26Å |
| 699 | R | 92.6 | Very high | 94.6 | Very high | 141 Ų | 141 | 50.4 Ų | 50.4 | 53% | 0.532 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -131.3 | 142.6 | 171 | -67.2 | -163.4 | 178.1 | -153.6 | -1 | 110.5 | H334 V696 K697 | H334-R699 PolarHBondContact O-N 2.98Å; V696-R699 HydrophobicContact CB-CB 4.2Å; V696-R699 HydrophobicContact CB-CG 4.49Å; V696-R699 HydrophobicContact CG1-CB 4.49Å; V696-R699 HydrophobicContact CG1-CG 4.25Å; V696-R699 PolarHBondContact O-N 2.95Å; V696-R699 VanDerWaalsContact O-N 3.14Å; K697-R699 PolarHBondContact O-N 3.48Å |
| 700 | A | 93 | Very high | 94.4 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | trans | -63.1 | 150.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A332 T333 R702 S703 | A332-A700 HydrophobicContact CB-CB 4Å; T333-A700 WeakPolarHBondContact O-CA 3.35Å; T333-A700 WeakPolarHBondContact O-CB 3.49Å; A700-R702 PolarHBondContact O-N 3.47Å; A700-R702 VanDerWaalsContact O-N 3.13Å; A700-S703 WeakPolarHBondContact O-CB 3.47Å; A700-S703 PolarHBondContact O-N 3.45Å; A700-S703 PolarHBondContact O-OG 2.9Å | ||
| 701 | Y | 92.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -56.2 | -33.4 | 179 | 67.2 | -97.2 | 0 | 0 | 0 | 111.9 | A332 N363 S368 T369 S703 H704 | A332-Y701 HydrophobicContact CB-CD1 4.04Å; A332-Y701 HydrophobicContact CB-CE1 3.45Å; A332-Y701 VanDerWaalsContact CB-CE1 3.45Å; N363-Y701 HydrophobicContact CB-CE2 4.05Å; N363-Y701 VanDerWaalsContact CB-OH 3.3Å; N363-Y701 WeakPolarHBondContact CB-OH 3.38Å; N363-Y701 PolarHBondContact OD1-OH 2.99Å; S368-Y701 WeakPolarHBondContact O-CD1 3.23Å; T369-Y701 HydrophobicContact CG2-CD2 4.23Å; T369-Y701 HydrophobicContact CG2-CE2 4.34Å; Y701-S703 PolarHBondContact O-N 2.81Å; Y701-S703 VanDerWaalsContact O-N 3.13Å; Y701-H704 PolarHBondContact O-N 2.94Å |
| 702 | R | 91.9 | Very high | 93.9 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -60.8 | -19.6 | 177.6 | -67.2 | -168.5 | 178.8 | 168.5 | 2.9 | 114.1 | E331 A332 N363 A700 H704 | E331-R702 IonicContact OE2-CZ 2.65Å; E331-R702 IonicContact OE2-NH1 3.42Å; E331-R702 PolarHBondContact OE2-NH1 3.13Å; E331-R702 IonicContact OE2-NH2 3.48Å; E331-R702 PolarHBondContact OE2-NH2 2.9Å; A332-R702 HydrophobicContact CB-CB 4.47Å; A332-R702 HydrophobicContact CB-CG 3.81Å; N363-R702 PolarHBondContact OD1-NH2 3.05Å; A700-R702 PolarHBondContact O-N 3.47Å; A700-R702 VanDerWaalsContact O-N 3.13Å; R702-H704 PolarHBondContact O-N 3.32Å |
| 703 | S | 91.8 | Very high | 93.5 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -65.7 | -28.1 | 179.2 | -58.7 | 0 | 0 | 0 | 0 | 113 | A700 Y701 | A700-S703 WeakPolarHBondContact O-CB 3.47Å; A700-S703 PolarHBondContact O-N 3.45Å; A700-S703 PolarHBondContact O-OG 2.9Å; Y701-S703 PolarHBondContact O-N 2.81Å; Y701-S703 VanDerWaalsContact O-N 3.13Å |
| 704 | H | 94.1 | Very high | 93 | Very high | 56 Ų | 56 | 63 Ų | 63 | 26% | 0.259 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -136.4 | 51.4 | 178.5 | -57.2 | 89.5 | 0 | 0 | 0 | 109.8 | Q694 Y701 R702 | Q694-H704 HydrophobicContact CB-CB 4.2Å; Q694-H704 PolarHBondContact N-O 3.17Å; Y701-H704 PolarHBondContact O-N 2.94Å; R702-H704 PolarHBondContact O-N 3.32Å |
| 705 | E | 96.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 70.3 Ų | 70.3 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.1 | 177.6 | -179.2 | -175.5 | -134.5 | 0 | 0 | 110.3 | H691 A692 V693 | H691-E705 IonicContact CE1-OE1 2.74Å; H691-E705 PolarHBondContact CE1-OE1 2.94Å; H691-E705 IonicContact NE2-OE1 3.49Å; H691-E705 PolarHBondContact NE2-OE1 2.96Å; H691-E705 VanDerWaalsContact NE2-OE1 3.15Å; A692-E705 WeakPolarHBondContact O-CA 3.41Å; V693-E705 HydrophobicContact CG2-CG 4.45Å |
| 706 | F | 97.3 | Very high | 92.2 | Very high | 28 Ų | 28 | 69.6 Ų | 69.6 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.7 | 161.1 | 169.6 | -107.5 | 0 | 0 | 0 | 108.3 | L690 H691 A692 K708 E720 F722 | L690-F706 HydrophobicContact CB-CE1 3.92Å; H691-F706 CarbonylContact C-O 3.45Å; H691-F706 VanDerWaalsContact CA-O 3.23Å; H691-F706 WeakPolarHBondContact CA-O 3.48Å; H691-F706 PolarHBondContact CD2-O 2.8Å; H691-F706 VanDerWaalsContact CD2-O 3.25Å; A692-F706 HydrophobicContact CB-CB 4.01Å; A692-F706 HydrophobicContact CB-CD1 4.33Å; A692-F706 PolarHBondContact N-O 3.37Å; A692-F706 PolarHBondContact O-N 3.01Å; F706-K708 HydrophobicContact CE1-CB 4.12Å; F706-K708 HydrophobicContact CE2-CB 4.15Å; F706-K708 HydrophobicContact CZ-CB 3.62Å; F706-K708 HydrophobicContact CZ-CG 4.4Å; F706-E720 HydrophobicContact CZ-CB 3.86Å; F706-E720 HydrophobicContact CZ-CG 4.43Å; F706-F722 HydrophobicContact CB-CB 3.74Å; F706-F722 HydrophobicContact CB-CD1 4.14Å; F706-F722 HydrophobicContact CB-CD2 3.85Å; F706-F722 HydrophobicContact CB-CG 3.65Å; F706-F722 HydrophobicContact CD1-CB 4.31Å; F706-F722 AromaticContact CD1-CD1 3.37Å; F706-F722 HydrophobicContact CD1-CD1 3.37Å; F706-F722 HydrophobicContact CD1-CD2 4.48Å; F706-F722 AromaticContact CD1-CE1 3.68Å; F706-F722 HydrophobicContact CD1-CE1 3.68Å; F706-F722 AromaticContact CD1-CG 3.82Å; F706-F722 HydrophobicContact CD1-CG 3.82Å; F706-F722 HydrophobicContact CD1-CZ 4.38Å; F706-F722 HydrophobicContact CD2-CB 3.39Å; F706-F722 AromaticContact CD2-CD1 3.92Å; F706-F722 HydrophobicContact CD2-CD1 3.92Å; F706-F722 AromaticContact CD2-CG 3.84Å; F706-F722 HydrophobicContact CD2-CG 3.84Å; F706-F722 AromaticContact CE1-CD1 3.61Å; F706-F722 HydrophobicContact CE1-CD1 3.61Å; F706-F722 AromaticContact CE1-CE1 3.92Å; F706-F722 HydrophobicContact CE1-CE1 3.92Å; F706-F722 HydrophobicContact CE1-CG 4.42Å; F706-F722 HydrophobicContact CE2-CB 4.02Å; F706-F722 HydrophobicContact CE2-CD1 4.12Å; F706-F722 HydrophobicContact CE2-CG 4.43Å; F706-F722 HydrophobicContact CG-CB 3.55Å; F706-F722 AromaticContact CG-CD1 3.53Å; F706-F722 HydrophobicContact CG-CD1 3.53Å; F706-F722 HydrophobicContact CG-CD2 4.17Å; F706-F722 HydrophobicContact CG-CE1 4.23Å; F706-F722 AromaticContact CG-CG 3.48Å; F706-F722 HydrophobicContact CG-CG 3.48Å; F706-F722 VanDerWaalsContact CG-CG 3.48Å; F706-F722 AromaticContact CZ-CD1 3.97Å; F706-F722 HydrophobicContact CZ-CD1 3.97Å |
| 707 | Y | 96 | Very high | 92.2 | Very high | 90 Ų | 90 | 71.9 Ų | 71.9 | 35% | 0.353 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 121.6 | 177.6 | -172.5 | -87.5 | 0 | 0 | 0 | 110.2 | G364 V689 H691 | G364-Y707 VanDerWaalsContact O-CE2 3.27Å; G364-Y707 WeakPolarHBondContact O-CE2 3.15Å; V689-Y707 HydrophobicContact CG1-CD2 4.22Å; V689-Y707 HydrophobicContact CG1-CE1 4.49Å; V689-Y707 HydrophobicContact CG1-CE2 3.48Å; V689-Y707 VanDerWaalsContact CG1-CE2 3.48Å; H691-Y707 HydrophobicContact CB-CD2 4.1Å; H691-Y707 AromaticContact CE1-CD2 3.79Å; H691-Y707 AromaticContact CG-CD2 3.66Å; H691-Y707 AromaticContact ND1-CD2 3.47Å; H691-Y707 WeakPolarHBondContact ND1-CD2 3.34Å; H691-Y707 AromaticContact ND1-CE2 3.79Å |
| 708 | K | 95 | Very high | 92.4 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 118.8 | -180 | -171.6 | 66.4 | 175.6 | -99.2 | 0 | 111 | V689 L690 F706 C710 E720 | V689-K708 WeakPolarHBondContact CA-O 3.47Å; L690-K708 HydrophobicContact CB-CB 4.44Å; L690-K708 PolarHBondContact N-O 3.39Å; L690-K708 PolarHBondContact O-N 3.16Å; F706-K708 HydrophobicContact CE1-CB 4.12Å; F706-K708 HydrophobicContact CE2-CB 4.15Å; F706-K708 HydrophobicContact CZ-CB 3.62Å; F706-K708 HydrophobicContact CZ-CG 4.4Å; K708-C710 HydrophobicContact CG-CB 4.46Å; K708-E720 WeakPolarHBondContact CE-OE1 3.38Å; K708-E720 HydrophobicContact CG-CG 4.46Å; K708-E720 IonicContact NZ-OE1 2.89Å; K708-E720 PolarHBondContact NZ-OE1 2.98Å; K708-E720 IonicContact NZ-OE2 3.94Å; K708-E720 PolarHBondContact NZ-OE2 2.78Å |
| 709 | F | 93.6 | Very high | 92.7 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 37% | 0.368 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.9 | 162.2 | -172 | -94.9 | 0 | 0 | 0 | 108.9 | K687 V689 W737 | K687-F709 HydrophobicContact CB-CZ 3.99Å; K687-F709 HydrophobicContact CD-CE1 4.15Å; K687-F709 HydrophobicContact CD-CZ 3.82Å; K687-F709 HydrophobicContact CG-CZ 4.3Å; V689-F709 HydrophobicContact CG2-CD2 3.72Å; V689-F709 HydrophobicContact CG2-CE2 4.32Å; F709-W737 HydrophobicContact CD2-CE3 4.36Å; F709-W737 HydrophobicContact CD2-CZ3 4.38Å; F709-W737 AromaticContact CE2-CD2 3.95Å; F709-W737 HydrophobicContact CE2-CD2 3.95Å; F709-W737 AromaticContact CE2-CE3 3.54Å; F709-W737 HydrophobicContact CE2-CE3 3.54Å; F709-W737 HydrophobicContact CE2-CG 4.43Å; F709-W737 HydrophobicContact CE2-CH2 4.48Å; F709-W737 AromaticContact CE2-CZ3 3.81Å; F709-W737 HydrophobicContact CE2-CZ3 3.81Å; F709-W737 HydrophobicContact CZ-CD2 4.41Å; F709-W737 HydrophobicContact CZ-CE3 4.41Å |
| 710 | C | 91.4 | Very high | 93 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.7 | -176.5 | 62 | 0 | 0 | 0 | 0 | 112.3 | K687 F688 K708 L718 | K687-C710 WeakPolarHBondContact CA-O 3.1Å; F688-C710 PolarHBondContact N-O 2.82Å; F688-C710 PolarHBondContact O-N 3.41Å; K708-C710 HydrophobicContact CG-CB 4.46Å; C710-L718 HydrophobicContact CB-CD2 3.43Å; C710-L718 VanDerWaalsContact CB-CD2 3.43Å; C710-L718 WeakPolarHBondContact SG-CD2 3.34Å |
| 711 | S | 92.4 | Very high | 93.1 | Very high | 74 Ų | 74 | 60.7 Ų | 60.7 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.2 | 169.4 | -61.7 | 0 | 0 | 0 | 0 | 107.9 | A686 P713 | A686-S711 CarbonylContact O-C 3.6Å; S711-P713 WeakPolarHBondContact O-CD 3.28Å |
| 712 | L | 91.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 110.5 | 178.2 | -175.8 | 68.8 | 0 | 0 | 0 | 108.6 | V677 S685 A686 F688 L718 I746 | V677-L712 HydrophobicContact CG1-CD2 3.9Å; S685-L712 CarbonylContact C-O 3.48Å; S685-L712 WeakPolarHBondContact CA-O 3.46Å; A686-L712 HydrophobicContact CB-CB 4.31Å; A686-L712 PolarHBondContact N-O 2.92Å; A686-L712 WeakPolarHBondContact O-CB 3.35Å; A686-L712 PolarHBondContact O-N 2.92Å; F688-L712 HydrophobicContact CD2-CB 4.42Å; F688-L712 HydrophobicContact CE2-CD2 4.11Å; L712-L718 HydrophobicContact CD1-CB 4.03Å; L712-I746 HydrophobicContact CD2-CG2 3.77Å |
| 713 | P | 89.8 | Confident | 93.6 | Very high | 76 Ų | 76 | 62.6 Ų | 62.6 | 49% | 0.494 | 34% | 0.338 | S | S | . | . | trans | -63.5 | 161.2 | 175.5 | -20.9 | 33.6 | 0 | 0 | 0 | 112.4 | S679 S711 K715 G716 | S679-P713 WeakPolarHBondContact CB-O 3.4Å; S711-P713 WeakPolarHBondContact O-CD 3.28Å; P713-K715 PolarHBondContact O-N 3.41Å; P713-G716 PolarHBondContact O-N 2.76Å | ||
| 714 | E | 87.1 | Confident | 93.8 | Very high | 108 Ų | 108 | 60.6 Ų | 60.6 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 132.5 | 167.7 | 61 | -139.5 | -157.4 | 0 | 0 | 111.2 | G716 | E714-G716 PolarHBondContact O-N 2.93Š|
| 715 | K | 85.2 | Confident | 93.8 | Very high | 159 Ų | 159 | 60.4 Ų | 60.4 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 17.9 | -170.2 | -55.2 | -174.5 | -179.9 | 179.7 | 0 | 115.2 | S681 S682 P713 | S681-K715 PolarHBondContact O-N 3.22Å; S682-K715 VanDerWaalsContact CB-CE 3.44Å; P713-K715 PolarHBondContact O-N 3.41Å |
| 716 | G | 90.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | trans | -81.6 | 157.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S679 P713 E714 | S679-G716 PolarHBondContact N-O 2.98Å; P713-G716 PolarHBondContact O-N 2.76Å; E714-G716 PolarHBondContact O-N 2.93Å | ||
| 717 | T | 94.1 | Very high | 93.4 | Very high | 88 Ų | 88 | 59.6 Ų | 59.6 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.4 | 169.5 | -60 | 0 | 0 | 0 | 0 | 109.1 | T676 V677 C678 I719 | T676-T717 HydrophobicContact CG2-CG2 3.75Å; V677-T717 CarbonylContact O-C 3.44Å; V677-T717 WeakPolarHBondContact O-CA 3.39Å; C678-T717 VanDerWaalsContact SG-CG2 3.6Å; C678-T717 PolarHBondContact SG-OG1 3.45Å; T717-I719 HydrophobicContact CG2-CG1 4.11Å |
| 718 | L | 94.8 | Very high | 93.3 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 17% | 0.168 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.5 | 173 | 175.7 | 70.7 | 0 | 0 | 0 | 108.5 | T676 V677 L690 C710 L712 E720 | T676-L718 CarbonylContact C-O 3.51Å; T676-L718 WeakPolarHBondContact CA-O 3.35Å; V677-L718 PolarHBondContact N-O 2.91Å; V677-L718 PolarHBondContact O-N 3Å; L690-L718 HydrophobicContact CD1-CD2 4.17Å; C710-L718 HydrophobicContact CB-CD2 3.43Å; C710-L718 VanDerWaalsContact CB-CD2 3.43Å; C710-L718 WeakPolarHBondContact SG-CD2 3.34Å; L712-L718 HydrophobicContact CD1-CB 4.03Å; L718-E720 HydrophobicContact CD1-CG 4.17Å; L718-E720 HydrophobicContact CD2-CG 4.34Å; L718-E720 HydrophobicContact CG-CG 4.13Å |
| 719 | I | 96.5 | Very high | 93.3 | Very high | 96 Ų | 96 | 54.3 Ų | 54.3 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 125.8 | 174.3 | -53.1 | 179.3 | 0 | 0 | 0 | 107.8 | E674 V675 T676 T717 | E674-I719 HydrophobicContact CG-CG2 3.55Å; V675-I719 WeakPolarHBondContact O-CA 3.28Å; T676-I719 HydrophobicContact CG2-CG1 4.17Å; T717-I719 HydrophobicContact CG2-CG1 4.11Å |
| 720 | E | 96.9 | Very high | 93.5 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 138.6 | 175.8 | -63.4 | -79.6 | 167.3 | 0 | 0 | 109.2 | V675 F706 K708 L718 | V675-E720 PolarHBondContact N-O 2.98Å; V675-E720 PolarHBondContact O-N 3.13Å; F706-E720 HydrophobicContact CZ-CB 3.86Å; F706-E720 HydrophobicContact CZ-CG 4.43Å; K708-E720 WeakPolarHBondContact CE-OE1 3.38Å; K708-E720 HydrophobicContact CG-CG 4.46Å; K708-E720 IonicContact NZ-OE1 2.89Å; K708-E720 PolarHBondContact NZ-OE1 2.98Å; K708-E720 IonicContact NZ-OE2 3.94Å; K708-E720 PolarHBondContact NZ-OE2 2.78Å; L718-E720 HydrophobicContact CD1-CG 4.17Å; L718-E720 HydrophobicContact CD2-CG 4.34Å; L718-E720 HydrophobicContact CG-CG 4.13Å |
| 721 | A | 96.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A673 | A673-A721 CarbonylContact O-C 3.54Å; A673-A721 VanDerWaalsContact O-CA 3.26Å; A673-A721 WeakPolarHBondContact O-CA 3.4Å |
| 722 | F | 97.1 | Very high | 94 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 151 | -179.6 | 58.3 | -93.9 | 0 | 0 | 0 | 112.4 | W672 A673 V675 A692 F706 V724 I730 F732 | W672-F722 CarbonylContact C-O 3.53Å; W672-F722 VanDerWaalsContact CA-O 3.27Å; W672-F722 WeakPolarHBondContact CA-O 3.49Å; W672-F722 WeakPolarHBondContact CB-O 3.47Å; A673-F722 HydrophobicContact CB-CE1 4.46Å; A673-F722 HydrophobicContact CB-CE2 3.95Å; A673-F722 HydrophobicContact CB-CZ 3.91Å; A673-F722 PolarHBondContact N-O 2.94Å; A673-F722 PolarHBondContact O-N 3.36Å; V675-F722 HydrophobicContact CG2-CE1 3.69Å; V675-F722 HydrophobicContact CG2-CZ 4.24Å; A692-F722 HydrophobicContact CB-CD2 4.23Å; A692-F722 HydrophobicContact CB-CE1 4.47Å; A692-F722 HydrophobicContact CB-CE2 3.55Å; A692-F722 HydrophobicContact CB-CZ 3.69Å; F706-F722 HydrophobicContact CB-CB 3.74Å; F706-F722 HydrophobicContact CB-CD1 4.14Å; F706-F722 HydrophobicContact CB-CD2 3.85Å; F706-F722 HydrophobicContact CB-CG 3.65Å; F706-F722 HydrophobicContact CD1-CB 4.31Å; F706-F722 AromaticContact CD1-CD1 3.37Å; F706-F722 HydrophobicContact CD1-CD1 3.37Å; F706-F722 HydrophobicContact CD1-CD2 4.48Å; F706-F722 AromaticContact CD1-CE1 3.68Å; F706-F722 HydrophobicContact CD1-CE1 3.68Å; F706-F722 AromaticContact CD1-CG 3.82Å; F706-F722 HydrophobicContact CD1-CG 3.82Å; F706-F722 HydrophobicContact CD1-CZ 4.38Å; F706-F722 HydrophobicContact CD2-CB 3.39Å; F706-F722 AromaticContact CD2-CD1 3.92Å; F706-F722 HydrophobicContact CD2-CD1 3.92Å; F706-F722 AromaticContact CD2-CG 3.84Å; F706-F722 HydrophobicContact CD2-CG 3.84Å; F706-F722 AromaticContact CE1-CD1 3.61Å; F706-F722 HydrophobicContact CE1-CD1 3.61Å; F706-F722 AromaticContact CE1-CE1 3.92Å; F706-F722 HydrophobicContact CE1-CE1 3.92Å; F706-F722 HydrophobicContact CE1-CG 4.42Å; F706-F722 HydrophobicContact CE2-CB 4.02Å; F706-F722 HydrophobicContact CE2-CD1 4.12Å; F706-F722 HydrophobicContact CE2-CG 4.43Å; F706-F722 HydrophobicContact CG-CB 3.55Å; F706-F722 AromaticContact CG-CD1 3.53Å; F706-F722 HydrophobicContact CG-CD1 3.53Å; F706-F722 HydrophobicContact CG-CD2 4.17Å; F706-F722 HydrophobicContact CG-CE1 4.23Å; F706-F722 AromaticContact CG-CG 3.48Å; F706-F722 HydrophobicContact CG-CG 3.48Å; F706-F722 VanDerWaalsContact CG-CG 3.48Å; F706-F722 AromaticContact CZ-CD1 3.97Å; F706-F722 HydrophobicContact CZ-CD1 3.97Å; F722-V724 HydrophobicContact CD2-CG1 3.98Å; F722-V724 HydrophobicContact CE2-CG1 3.77Å; F722-I730 HydrophobicContact CE2-CD1 3.78Å; F722-F732 HydrophobicContact CE1-CD2 4.41Å; F722-F732 HydrophobicContact CE1-CE2 4.28Å; F722-F732 HydrophobicContact CZ-CD2 4.08Å; F722-F732 HydrophobicContact CZ-CE2 4.41Å |
| 723 | P | 96.7 | Very high | 94.3 | Very high | 112 Ų | 112 | 46.6 Ų | 46.6 | 73% | 0.727 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 146.1 | -178.1 | 28.4 | -35.6 | 0 | 0 | 0 | 111.9 | T671 | T671-P723 WeakPolarHBondContact O-CA 3.37Å |
| 724 | V | 96.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | trans | -135.2 | 161.7 | 175.5 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | V666 A670 T671 A673 Q694 F722 I730 F752 | V666-V724 HydrophobicContact CG1-CB 4.19Å; V666-V724 HydrophobicContact CG1-CG2 3.76Å; A670-V724 HydrophobicContact CB-CG2 3.94Å; T671-V724 PolarHBondContact O-N 3.13Å; A673-V724 HydrophobicContact CB-CG1 3.69Å; Q694-V724 VanDerWaalsContact OE1-CA 3.28Å; F722-V724 HydrophobicContact CD2-CG1 3.98Å; F722-V724 HydrophobicContact CE2-CG1 3.77Å; V724-I730 HydrophobicContact CG1-CD1 3.88Å; V724-F752 HydrophobicContact CG2-CD1 4.35Å | ||
| 725 | L | 94.8 | Very high | 95 | Very high | 52 Ų | 52 | 37.9 Ų | 37.9 | 27% | 0.272 | 23% | 0.226 | S | C | . | . | trans | -108.1 | 116.5 | 174.6 | -54.6 | 177 | 0 | 0 | 0 | 109.8 | V666 Q694 V696 K728 | V666-L725 WeakPolarHBondContact CB-O 3.32Å; V666-L725 WeakPolarHBondContact CG1-O 3.43Å; Q694-L725 PolarHBondContact NE2-O 3.26Å; V696-L725 HydrophobicContact CG2-CD1 3.47Å; V696-L725 VanDerWaalsContact CG2-CD1 3.47Å; L725-K728 HydrophobicContact CB-CD 4.3Å; L725-K728 HydrophobicContact CD1-CD 4.1Å | ||
| 726 | G | 93.5 | Very high | 95.4 | Very high | 33 Ų | 33 | 30.5 Ų | 30.5 | 34% | 0.34 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 148.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P667 K728 | P667-G726 WeakPolarHBondContact O-CA 3.39Å; G726-K728 PolarHBondContact O-N 3.21Å |
| 727 | G | 91 | Very high | 95.4 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | V666 | V666-G727 PolarHBondContact O-N 2.71Š|
| 728 | K | 93.3 | Very high | 94.9 | Very high | 51 Ų | 51 | 29 Ų | 29 | 22% | 0.222 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -120 | 155 | 178.8 | -77.2 | -173.8 | 151.1 | -74.4 | 0 | 111.4 | D537 V666 L695 L725 G726 | D537-K728 IonicContact OD2-NZ 3.4Å; D537-K728 PolarHBondContact OD2-NZ 3.28Å; V666-K728 WeakPolarHBondContact CB-O 3.39Å; V666-K728 WeakPolarHBondContact CG2-O 3.31Å; V666-K728 PolarHBondContact N-O 3.3Å; L695-K728 PolarHBondContact O-NZ 3.15Å; L695-K728 VanDerWaalsContact O-NZ 3.11Å; L725-K728 HydrophobicContact CB-CD 4.3Å; L725-K728 HydrophobicContact CD1-CD 4.1Å; G726-K728 PolarHBondContact O-N 3.21Å |
| 729 | A | 95.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R536 D537 V664 | R536-A729 HydrophobicContact CG-CB 4.48Å; R536-A729 WeakPolarHBondContact O-CB 3.38Å; D537-A729 PolarHBondContact OD1-N 2.9Å; V664-A729 WeakPolarHBondContact O-CA 3.34Å |
| 730 | I | 97.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139 | 165.1 | -171 | 163.3 | 0 | 0 | 0 | 109.7 | F663 V664 V666 A692 Q694 F722 V724 F752 | F663-I730 CarbonylContact C-O 3.45Å; F663-I730 WeakPolarHBondContact CA-O 3.36Å; V664-I730 HydrophobicContact CB-CG2 3.85Å; V664-I730 PolarHBondContact N-O 3.25Å; V664-I730 WeakPolarHBondContact O-CG2 3.37Å; V664-I730 PolarHBondContact O-N 2.87Å; V666-I730 HydrophobicContact CG2-CB 3.67Å; V666-I730 HydrophobicContact CG2-CG2 3.4Å; V666-I730 VanDerWaalsContact CG2-CG2 3.4Å; A692-I730 HydrophobicContact CB-CD1 3.92Å; A692-I730 HydrophobicContact CB-CG1 4.33Å; Q694-I730 HydrophobicContact CG-CB 3.65Å; Q694-I730 HydrophobicContact CG-CD1 3.93Å; Q694-I730 HydrophobicContact CG-CG1 3.64Å; F722-I730 HydrophobicContact CE2-CD1 3.78Å; V724-I730 HydrophobicContact CG1-CD1 3.88Å; I730-F752 HydrophobicContact CG2-CE1 4.46Å; I730-F752 HydrophobicContact CG2-CZ 4.26Å |
| 731 | E | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126 | 162 | 179 | -175.5 | -178.4 | 0 | 0 | 108.3 | C366 L367 R536 R661 H662 F663 A692 V693 C733 | C366-E731 WeakPolarHBondContact CA-OE1 3.26Å; C366-E731 HydrophobicContact CB-CG 4.49Å; L367-E731 WeakPolarHBondContact CB-OE2 3.46Å; L367-E731 WeakPolarHBondContact CG-OE1 3.25Å; L367-E731 VanDerWaalsContact N-CD 3.3Å; L367-E731 PolarHBondContact N-OE1 2.91Å; L367-E731 PolarHBondContact N-OE2 3.13Å; R536-E731 IonicContact CZ-OE2 2.66Å; R536-E731 IonicContact NH1-OE2 2.92Å; R536-E731 IonicContact NH2-OE2 2.85Å; R536-E731 PolarHBondContact NH2-OE2 2.94Å; R661-E731 IonicContact NH1-OE1 2.71Å; H662-E731 CarbonylContact O-C 3.53Å; H662-E731 WeakPolarHBondContact O-CA 3.45Å; F663-E731 HydrophobicContact CD1-CB 3.81Å; F663-E731 HydrophobicContact CD1-CG 4.08Å; F663-E731 HydrophobicContact CE1-CB 3.62Å; F663-E731 HydrophobicContact CE1-CG 3.57Å; F663-E731 HydrophobicContact CZ-CG 3.98Å; A692-E731 CarbonylContact C-O 3.6Å; A692-E731 WeakPolarHBondContact CA-O 3.17Å; V693-E731 PolarHBondContact N-O 3.16Å; V693-E731 PolarHBondContact O-N 2.82Å; E731-C733 PolarHBondContact OE1-SG 3.01Å |
| 732 | F | 97.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.4 | 170 | 178.7 | -99.4 | 0 | 0 | 0 | 109.8 | H662 V675 L690 H691 A692 F722 I734 I750 | H662-F732 PolarHBondContact N-O 2.88Å; H662-F732 PolarHBondContact O-N 2.86Å; V675-F732 HydrophobicContact CB-CZ 4.32Å; V675-F732 HydrophobicContact CG1-CE1 4.3Å; V675-F732 HydrophobicContact CG1-CE2 4.47Å; V675-F732 HydrophobicContact CG1-CZ 3.76Å; V675-F732 HydrophobicContact CG2-CD2 4.4Å; V675-F732 HydrophobicContact CG2-CE1 4.43Å; V675-F732 HydrophobicContact CG2-CE2 3.8Å; V675-F732 HydrophobicContact CG2-CZ 3.82Å; L690-F732 HydrophobicContact CB-CE2 4.25Å; L690-F732 HydrophobicContact CB-CZ 4.29Å; L690-F732 HydrophobicContact CD2-CZ 4.21Å; H691-F732 CarbonylContact O-C 3.56Å; H691-F732 WeakPolarHBondContact O-CA 3.44Å; A692-F732 HydrophobicContact CB-CD2 3.92Å; F722-F732 HydrophobicContact CE1-CD2 4.41Å; F722-F732 HydrophobicContact CE1-CE2 4.28Å; F722-F732 HydrophobicContact CZ-CD2 4.08Å; F722-F732 HydrophobicContact CZ-CE2 4.41Å; F732-I734 HydrophobicContact CE1-CB 4.28Å; F732-I734 HydrophobicContact CE1-CG2 4.41Å; F732-I750 HydrophobicContact CB-CD1 4.24Å; F732-I750 HydrophobicContact CD1-CD1 3.42Å; F732-I750 VanDerWaalsContact CD1-CD1 3.42Å; F732-I750 HydrophobicContact CD1-CG1 4.16Å; F732-I750 HydrophobicContact CE1-CD1 4.02Å; F732-I750 HydrophobicContact CE1-CG1 4.31Å; F732-I750 HydrophobicContact CG-CD1 3.98Å |
| 733 | C | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.1 | 177 | -68.2 | 0 | 0 | 0 | 0 | 110.4 | P365 I659 R660 R661 L690 H691 E731 | P365-C733 HydrophobicContact CB-CB 4.38Å; P365-C733 HydrophobicContact CG-CB 3.75Å; I659-C733 HydrophobicContact CG2-CB 4.38Å; R660-C733 WeakPolarHBondContact O-CA 3.39Å; R661-C733 PolarHBondContact NH1-SG 2.92Å; L690-C733 WeakPolarHBondContact CA-O 3.41Å; H691-C733 HydrophobicContact CB-CB 4.43Å; H691-C733 PolarHBondContact N-O 2.79Å; H691-C733 PolarHBondContact O-N 2.74Å; E731-C733 PolarHBondContact OE1-SG 3.01Å |
| 734 | I | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.5 | 162.6 | 175.9 | 160.9 | 0 | 0 | 0 | 107.9 | F654 R660 V677 F688 V689 L690 F732 I746 Y748 | F654-I734 HydrophobicContact CE1-CG1 4.47Å; F654-I734 HydrophobicContact CE1-CG2 4.39Å; F654-I734 WeakPolarHBondContact CE1-O 3.45Å; F654-I734 HydrophobicContact CZ-CB 4.45Å; F654-I734 HydrophobicContact CZ-CG1 4.1Å; F654-I734 HydrophobicContact CZ-CG2 3.73Å; R660-I734 HydrophobicContact CB-CG2 4.05Å; R660-I734 PolarHBondContact N-O 3.46Å; R660-I734 PolarHBondContact O-N 2.94Å; V677-I734 HydrophobicContact CG1-CD1 4.32Å; V677-I734 HydrophobicContact CG2-CD1 4.24Å; F688-I734 HydrophobicContact CD1-CD1 4.15Å; F688-I734 HydrophobicContact CD1-CG1 3.79Å; F688-I734 HydrophobicContact CE1-CG1 4.34Å; F688-I734 HydrophobicContact CG-CG1 4.42Å; V689-I734 WeakPolarHBondContact O-CA 3.33Å; L690-I734 HydrophobicContact CD2-CB 4.02Å; L690-I734 HydrophobicContact CD2-CD1 3.62Å; L690-I734 HydrophobicContact CD2-CG1 3.73Å; F732-I734 HydrophobicContact CE1-CB 4.28Å; F732-I734 HydrophobicContact CE1-CG2 4.41Å; I734-I746 HydrophobicContact CD1-CD1 3.39Å; I734-I746 HydrophobicContact CG1-CD1 4.38Å; I734-Y748 HydrophobicContact CG2-CE1 4.44Å; I734-Y748 HydrophobicContact CG2-CE2 4.25Å |
| 735 | A | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111 | P365 Q658 I659 F688 V689 | P365-A735 HydrophobicContact CB-CB 4.32Å; P365-A735 HydrophobicContact CG-CB 3.94Å; Q658-A735 WeakPolarHBondContact O-CA 3.49Å; I659-A735 HydrophobicContact CB-CB 4.4Å; I659-A735 HydrophobicContact CG1-CB 3.84Å; I659-A735 HydrophobicContact CG2-CB 4.27Å; F688-A735 CarbonylContact C-O 3.52Å; F688-A735 VanDerWaalsContact CA-O 3.26Å; F688-A735 WeakPolarHBondContact CA-O 3.25Å; V689-A735 HydrophobicContact CB-CB 4.36Å; V689-A735 PolarHBondContact N-O 2.81Å; V689-A735 PolarHBondContact O-N 3.31Å |
| 736 | R | 93.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 130.1 | 171.8 | 178.7 | 57.6 | 169.6 | 175.3 | -7.4 | 109.1 | F654 K655 G657 Q658 A686 K687 F688 W738 S742 | F654-R736 HydrophobicContact CB-CB 4.15Å; F654-R736 HydrophobicContact CB-CG 4.45Å; F654-R736 HydrophobicContact CD1-CB 3.97Å; F654-R736 HydrophobicContact CG-CB 4.45Å; K655-R736 WeakPolarHBondContact O-CB 3.38Å; K655-R736 VanDerWaalsContact O-CG 3.26Å; K655-R736 WeakPolarHBondContact O-CG 3.46Å; G657-R736 VanDerWaalsContact CA-O 3.23Å; G657-R736 WeakPolarHBondContact CA-O 3.26Å; G657-R736 PolarHBondContact N-O 3.25Å; Q658-R736 PolarHBondContact O-N 3.4Å; A686-R736 VanDerWaalsContact C-NH1 3.27Å; K687-R736 PolarHBondContact O-NH1 3.07Å; F688-R736 HydrophobicContact CD1-CB 4.43Å; F688-R736 HydrophobicContact CE1-CB 4.14Å; R736-W738 PolarHBondContact O-N 2.77Å; R736-S742 PolarHBondContact NH2-O 2.83Å; R736-S742 VanDerWaalsContact NH2-O 3.13Å |
| 737 | W | 90.8 | Very high | 91.6 | Very high | 64 Ų | 64 | 23.9 Ų | 23.9 | 24% | 0.242 | 14% | 0.138 | C | C | . | . | trans | -57.7 | 128.8 | 177.3 | -176.7 | -108.5 | 0 | 0 | 0 | 111.5 | W409 K687 F709 A739 S740 | W409-W737 HydrophobicContact CD2-CH2 4.42Å; W409-W737 HydrophobicContact CD2-CZ3 4.4Å; W409-W737 HydrophobicContact CE3-CE3 4.13Å; W409-W737 AromaticContact CE3-CH2 3.43Å; W409-W737 HydrophobicContact CE3-CH2 3.43Å; W409-W737 VanDerWaalsContact CE3-CH2 3.43Å; W409-W737 HydrophobicContact CE3-CZ2 4.34Å; W409-W737 AromaticContact CE3-CZ3 3.27Å; W409-W737 HydrophobicContact CE3-CZ3 3.27Å; W409-W737 AromaticContact CH2-CH2 3.64Å; W409-W737 HydrophobicContact CH2-CH2 3.64Å; W409-W737 AromaticContact CH2-CZ2 3.9Å; W409-W737 HydrophobicContact CH2-CZ2 3.9Å; W409-W737 HydrophobicContact CH2-CZ3 4.3Å; W409-W737 HydrophobicContact CZ3-CD2 4.44Å; W409-W737 AromaticContact CZ3-CE3 3.94Å; W409-W737 HydrophobicContact CZ3-CE3 3.94Å; W409-W737 AromaticContact CZ3-CH2 2.93Å; W409-W737 HydrophobicContact CZ3-CH2 2.93Å; W409-W737 AromaticContact CZ3-CZ2 3.45Å; W409-W737 HydrophobicContact CZ3-CZ2 3.45Å; W409-W737 VanDerWaalsContact CZ3-CZ2 3.45Å; W409-W737 AromaticContact CZ3-CZ3 3.2Å; W409-W737 HydrophobicContact CZ3-CZ3 3.2Å; K687-W737 HydrophobicContact CB-CB 3.91Å; K687-W737 PolarHBondContact O-N 3.23Å; K687-W737 VanDerWaalsContact O-N 3.13Å; F709-W737 HydrophobicContact CD2-CE3 4.36Å; F709-W737 HydrophobicContact CD2-CZ3 4.38Å; F709-W737 AromaticContact CE2-CD2 3.95Å; F709-W737 HydrophobicContact CE2-CD2 3.95Å; F709-W737 AromaticContact CE2-CE3 3.54Å; F709-W737 HydrophobicContact CE2-CE3 3.54Å; F709-W737 HydrophobicContact CE2-CG 4.43Å; F709-W737 HydrophobicContact CE2-CH2 4.48Å; F709-W737 AromaticContact CE2-CZ3 3.81Å; F709-W737 HydrophobicContact CE2-CZ3 3.81Å; F709-W737 HydrophobicContact CZ-CD2 4.41Å; F709-W737 HydrophobicContact CZ-CE3 4.41Å; W737-A739 VanDerWaalsContact C-N 3.3Å; W737-A739 PolarHBondContact O-N 2.96Å; W737-S740 WeakPolarHBondContact O-CB 3.07Å; W737-S740 PolarHBondContact O-N 2.89Å; W737-S740 VanDerWaalsContact O-N 3.12Å; W737-S740 PolarHBondContact O-OG 2.8Å | ||
| 738 | W | 83.6 | Confident | 91.9 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -33.7 | -169.5 | 75.2 | -86.8 | 0 | 0 | 0 | 114.2 | V387 M392 Y396 L398 Y407 T408 W409 R736 S740 | V387-W738 HydrophobicContact CG2-CH2 4.4Å; V387-W738 HydrophobicContact CG2-CZ3 4.18Å; M392-W738 HydrophobicContact CE-CE3 4.31Å; M392-W738 HydrophobicContact CE-CZ3 4.37Å; M392-W738 HydrophobicContact CG-CZ3 3.79Å; M392-W738 HydrophobicContact SD-CZ3 4.31Å; Y396-W738 AromaticContact CD1-CH2 3.8Å; Y396-W738 HydrophobicContact CD1-CH2 3.8Å; Y396-W738 AromaticContact CD1-CZ2 3.86Å; Y396-W738 HydrophobicContact CD1-CZ2 3.86Å; Y396-W738 AromaticContact CD2-CH2 3.57Å; Y396-W738 HydrophobicContact CD2-CH2 3.57Å; Y396-W738 HydrophobicContact CD2-CZ2 4.21Å; Y396-W738 AromaticContact CE1-CH2 3.95Å; Y396-W738 HydrophobicContact CE1-CH2 3.95Å; Y396-W738 AromaticContact CE1-CZ2 3.62Å; Y396-W738 HydrophobicContact CE1-CZ2 3.62Å; Y396-W738 AromaticContact CE2-CH2 3.73Å; Y396-W738 HydrophobicContact CE2-CH2 3.73Å; Y396-W738 AromaticContact CE2-CZ2 4Å; Y396-W738 HydrophobicContact CE2-CZ2 4Å; Y396-W738 AromaticContact CG-CH2 3.59Å; Y396-W738 HydrophobicContact CG-CH2 3.59Å; Y396-W738 HydrophobicContact CG-CZ2 4.13Å; Y396-W738 AromaticContact CZ-CH2 3.88Å; Y396-W738 AromaticContact CZ-CZ2 3.67Å; L398-W738 HydrophobicContact CD1-CH2 4.21Å; L398-W738 HydrophobicContact CD1-CZ3 4.17Å; L398-W738 HydrophobicContact CD2-CZ3 4.31Å; Y407-W738 AromaticContact CD1-CD1 3.89Å; Y407-W738 HydrophobicContact CD1-CD2 4.31Å; Y407-W738 AromaticContact CD1-CE2 3.81Å; Y407-W738 HydrophobicContact CD1-CG 4.36Å; Y407-W738 HydrophobicContact CD1-CZ2 4.34Å; Y407-W738 AromaticContact CD1-NE1 3.53Å; Y407-W738 HydrophobicContact CE1-CD2 4.29Å; Y407-W738 AromaticContact CE1-CE2 3.58Å; Y407-W738 HydrophobicContact CE1-CH2 4.41Å; Y407-W738 AromaticContact CE1-CZ2 3.63Å; Y407-W738 HydrophobicContact CE1-CZ2 3.63Å; Y407-W738 AromaticContact CE1-NE1 3.71Å; T408-W738 HydrophobicContact CG2-CB 4.18Å; W409-W738 AromaticContact CH2-CD1 3.71Å; W409-W738 AromaticContact CH2-NE1 3.14Å; W409-W738 AromaticContact CZ3-CD1 3.23Å; W409-W738 AromaticContact CZ3-NE1 3.16Å; R736-W738 PolarHBondContact O-N 2.77Å; W738-S740 PolarHBondContact O-N 2.97Å |
| 739 | A | 82.8 | Confident | 92.1 | Very high | 33 Ų | 33 | 22.1 Ų | 22.1 | 27% | 0.273 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 9.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | W737 | W737-A739 VanDerWaalsContact C-N 3.3Å; W737-A739 PolarHBondContact O-N 2.96Å |
| 740 | S | 84.1 | Confident | 92.2 | Very high | 16 Ų | 16 | 22.2 Ų | 22.2 | 11% | 0.112 | 12% | 0.124 | C | C | . | . | trans | -78 | 131.9 | 174.1 | -49.8 | 0 | 0 | 0 | 0 | 108.6 | P656 W737 W738 | P656-S740 WeakPolarHBondContact CB-O 3.37Å; P656-S740 WeakPolarHBondContact CG-O 3.38Å; W737-S740 WeakPolarHBondContact O-CB 3.07Å; W737-S740 PolarHBondContact O-N 2.89Å; W737-S740 VanDerWaalsContact O-N 3.12Å; W737-S740 PolarHBondContact O-OG 2.8Å; W738-S740 PolarHBondContact O-N 2.97Å | ||
| 741 | L | 79.7 | Confident | 92.1 | Very high | 41 Ų | 41 | 22.4 Ų | 22.4 | 22% | 0.215 | 13% | 0.126 | C | C | . | . | trans | -86.3 | -25.7 | -176.6 | -69.1 | 169.3 | 0 | 0 | 0 | 113.8 | L398 R399 E400 | L398-L741 HydrophobicContact CD2-CD2 3.98Å; L398-L741 HydrophobicContact CG-CD2 4.35Å; R399-L741 HydrophobicContact CB-CD1 3.99Å; R399-L741 HydrophobicContact CG-CD1 4.27Å; R399-L741 VanDerWaalsContact NE-CD1 3.3Å; E400-L741 HydrophobicContact CB-CD2 4.31Å | ||
| 742 | S | 82.9 | Confident | 92.1 | Very high | 54 Ų | 54 | 22.5 Ų | 22.5 | 38% | 0.378 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -103.7 | 136.9 | -173.4 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | R736 | R736-S742 PolarHBondContact NH2-O 2.83Å; R736-S742 VanDerWaalsContact NH2-O 3.13Å |
| 743 | D | 89.4 | Confident | 92 | Very high | 77 Ų | 77 | 23.7 Ų | 23.7 | 41% | 0.412 | 13% | 0.132 | S | C | . | . | trans | -61.3 | 151.5 | 165.7 | -68.5 | -3.8 | 0 | 0 | 0 | 110.5 | H653 F654 K655 P656 | H653-D743 VanDerWaalsContact CE1-CB 3.46Å; H653-D743 WeakPolarHBondContact CE1-CB 3.32Å; H653-D743 IonicContact CE1-OD2 2.93Å; H653-D743 PolarHBondContact CE1-OD2 2.88Å; H653-D743 VanDerWaalsContact CE1-OD2 3.24Å; H653-D743 IonicContact NE2-OD2 3.77Å; H653-D743 PolarHBondContact NE2-OD2 2.89Å; F654-D743 WeakPolarHBondContact O-CA 3.32Å; K655-D743 WeakPolarHBondContact CA-OD1 3.46Å; P656-D743 WeakPolarHBondContact CD-OD1 3.22Å | ||
| 744 | V | 91.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 141.5 | -179.5 | 52.2 | 0 | 0 | 0 | 0 | 110 | F654 A686 F688 I746 | F654-V744 HydrophobicContact CB-CG1 4.11Å; F654-V744 PolarHBondContact N-O 3.46Å; F654-V744 PolarHBondContact O-N 2.82Å; F654-V744 VanDerWaalsContact O-N 3.07Å; A686-V744 HydrophobicContact CB-CG1 4.37Å; A686-V744 HydrophobicContact CB-CG2 4.14Å; F688-V744 HydrophobicContact CE2-CG1 4.38Å; F688-V744 HydrophobicContact CZ-CG1 3.74Å; V744-I746 HydrophobicContact CG2-CG2 3.98Å |
| 745 | N | 93.1 | Very high | 91.6 | Very high | 49 Ų | 49 | 25.8 Ų | 25.8 | 26% | 0.262 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.8 | 169.4 | -63.7 | 0.8 | 0 | 0 | 0 | 109.1 | D651 V652 H653 C680 | D651-N745 WeakPolarHBondContact OD1-CB 3.38Å; D651-N745 PolarHBondContact OD1-ND2 2.86Å; V652-N745 WeakPolarHBondContact O-CA 3.26Å; H653-N745 WeakPolarHBondContact CA-OD1 3.42Å; H653-N745 WeakPolarHBondContact CB-OD1 3.45Å; H653-N745 PolarHBondContact ND1-OD1 2.65Å; C680-N745 HydrophobicContact CB-CB 4.06Å; C680-N745 WeakPolarHBondContact CB-O 3.18Å; C680-N745 PolarHBondContact N-O 3.21Å; C680-N745 VanDerWaalsContact N-O 3.08Å |
| 746 | I | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.9 | 176.4 | 58.9 | 167.8 | 0 | 0 | 0 | 110.6 | V652 F654 V677 C678 C680 F688 L712 I734 V744 Y748 | V652-I746 WeakPolarHBondContact CB-O 3.43Å; V652-I746 PolarHBondContact N-O 3.1Å; V652-I746 PolarHBondContact O-N 3.28Å; F654-I746 HydrophobicContact CD2-CD1 4.02Å; F654-I746 HydrophobicContact CD2-CG1 3.86Å; F654-I746 HydrophobicContact CE2-CD1 3.58Å; F654-I746 HydrophobicContact CE2-CG1 3.71Å; F654-I746 HydrophobicContact CZ-CD1 4.32Å; V677-I746 HydrophobicContact CG1-CB 4.32Å; V677-I746 HydrophobicContact CG1-CD1 3.8Å; V677-I746 HydrophobicContact CG1-CG2 4.49Å; C678-I746 VanDerWaalsContact O-CA 3.28Å; C678-I746 WeakPolarHBondContact O-CA 3.42Å; C678-I746 WeakPolarHBondContact O-CB 3.28Å; C680-I746 VanDerWaalsContact SG-C 3.58Å; F688-I746 HydrophobicContact CE1-CD1 4.07Å; F688-I746 HydrophobicContact CE2-CD1 4.44Å; F688-I746 HydrophobicContact CE2-CG2 3.98Å; F688-I746 HydrophobicContact CZ-CD1 3.9Å; F688-I746 HydrophobicContact CZ-CG1 4.47Å; F688-I746 HydrophobicContact CZ-CG2 3.88Å; L712-I746 HydrophobicContact CD2-CG2 3.77Å; I734-I746 HydrophobicContact CD1-CD1 3.39Å; I734-I746 HydrophobicContact CG1-CD1 4.38Å; V744-I746 HydrophobicContact CG2-CG2 3.98Å; I746-Y748 HydrophobicContact CD1-CD1 3.77Å; I746-Y748 HydrophobicContact CD1-CE1 4.26Å; I746-Y748 HydrophobicContact CG1-CD1 3.99Å; I746-Y748 HydrophobicContact CG1-CE1 4.42Å |
| 747 | D | 96.3 | Very high | 91.2 | Very high | 58 Ų | 58 | 30 Ų | 30 | 31% | 0.31 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 140.1 | 161.7 | -58 | -39.1 | 0 | 0 | 0 | 107.7 | F649 T650 D651 C678 C680 | F649-D747 CarbonylContact O-C 3.6Å; F649-D747 WeakPolarHBondContact O-CA 3.27Å; T650-D747 WeakPolarHBondContact CA-OD1 3.47Å; D651-D747 PolarHBondContact N-OD1 3.15Å; C678-D747 HydrophobicContact CB-CB 4.29Å; C678-D747 PolarHBondContact N-O 3.02Å; C678-D747 PolarHBondContact O-N 2.91Å; C680-D747 VanDerWaalsContact SG-CG 3.57Å |
| 748 | Y | 96.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 149.9 | 171 | 61.4 | -83.1 | 0 | 0 | 0 | 112.7 | F649 V652 F654 H662 T676 I734 I746 | F649-Y748 HydrophobicContact CB-CD1 4.29Å; F649-Y748 HydrophobicContact CB-CD2 4.45Å; F649-Y748 HydrophobicContact CB-CE1 3.91Å; F649-Y748 HydrophobicContact CB-CE2 4.09Å; F649-Y748 AromaticContact CD2-CD2 3.74Å; F649-Y748 HydrophobicContact CD2-CD2 3.74Å; F649-Y748 AromaticContact CD2-CE2 3.25Å; F649-Y748 HydrophobicContact CD2-CE2 3.25Å; F649-Y748 AromaticContact CD2-CZ 3.73Å; F649-Y748 HydrophobicContact CE2-CD2 4.48Å; F649-Y748 AromaticContact CE2-CE2 3.83Å; F649-Y748 HydrophobicContact CE2-CE2 3.83Å; F649-Y748 HydrophobicContact CG-CD2 4.45Å; F649-Y748 HydrophobicContact CG-CE1 4.42Å; F649-Y748 AromaticContact CG-CE2 3.81Å; F649-Y748 HydrophobicContact CG-CE2 3.81Å; F649-Y748 AromaticContact CG-CZ 3.78Å; F649-Y748 PolarHBondContact N-O 3.49Å; F649-Y748 PolarHBondContact O-N 3.4Å; V652-Y748 HydrophobicContact CB-CE1 3.86Å; V652-Y748 HydrophobicContact CG1-CE1 4.07Å; V652-Y748 HydrophobicContact CG2-CD1 4.36Å; V652-Y748 HydrophobicContact CG2-CE1 3.64Å; F654-Y748 HydrophobicContact CE2-CE1 4.31Å; H662-Y748 PolarHBondContact CE1-OH 3.45Å; H662-Y748 AromaticContact NE2-CE2 3.49Å; H662-Y748 WeakPolarHBondContact NE2-CE2 3.43Å; H662-Y748 AromaticContact NE2-CZ 3.56Å; H662-Y748 PolarHBondContact NE2-OH 2.84Å; T676-Y748 CarbonylContact O-C 3.51Å; T676-Y748 WeakPolarHBondContact O-CA 3.44Å; T676-Y748 WeakPolarHBondContact O-CB 3.24Å; I734-Y748 HydrophobicContact CG2-CE1 4.44Å; I734-Y748 HydrophobicContact CG2-CE2 4.25Å; I746-Y748 HydrophobicContact CD1-CD1 3.77Å; I746-Y748 HydrophobicContact CD1-CE1 4.26Å; I746-Y748 HydrophobicContact CG1-CD1 3.99Å; I746-Y748 HydrophobicContact CG1-CE1 4.42Å |
| 749 | T | 97.3 | Very high | 90.5 | Very high | 44 Ų | 44 | 33.4 Ų | 33.4 | 27% | 0.27 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.3 | -179.7 | -57.7 | 0 | 0 | 0 | 0 | 110 | D646 L647 A648 V675 T676 | D646-T749 HydrophobicContact CB-CG2 4.15Å; L647-T749 CarbonylContact O-C 3.43Å; L647-T749 VanDerWaalsContact O-CA 3.25Å; L647-T749 WeakPolarHBondContact O-CA 3.46Å; A648-T749 HydrophobicContact CB-CG2 4.37Å; V675-T749 WeakPolarHBondContact CA-O 3.25Å; T676-T749 PolarHBondContact N-O 3.29Å; T676-T749 PolarHBondContact O-N 3.4Å |
| 750 | I | 97 | Very high | 89.9 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 116.2 | 169.6 | -49 | 170.7 | 0 | 0 | 0 | 106.9 | D646 L647 E674 V675 F732 F752 | D646-I750 CarbonylContact C-O 3.57Å; D646-I750 WeakPolarHBondContact CA-O 3.35Å; L647-I750 HydrophobicContact CB-CB 4.35Å; L647-I750 PolarHBondContact N-O 3.17Å; L647-I750 PolarHBondContact O-N 2.66Å; E674-I750 WeakPolarHBondContact O-CA 3.38Å; V675-I750 HydrophobicContact CG2-CG1 4.19Å; V675-I750 HydrophobicContact CG2-CG2 4.22Å; F732-I750 HydrophobicContact CB-CD1 4.24Å; F732-I750 HydrophobicContact CD1-CD1 3.42Å; F732-I750 VanDerWaalsContact CD1-CD1 3.42Å; F732-I750 HydrophobicContact CD1-CG1 4.16Å; F732-I750 HydrophobicContact CE1-CD1 4.02Å; F732-I750 HydrophobicContact CE1-CG1 4.31Å; F732-I750 HydrophobicContact CG-CD1 3.98Å; I750-F752 HydrophobicContact CG2-CE2 4.08Å; I750-F752 HydrophobicContact CG2-CZ 4.07Å |
| 751 | S | 96.8 | Very high | 89.7 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.2 | -178.7 | 169.6 | 0 | 0 | 0 | 0 | 110 | D646 A673 E674 H753 K780 | D646-S751 WeakPolarHBondContact OD1-CA 3.36Å; D646-S751 WeakPolarHBondContact OD1-CB 3.31Å; D646-S751 PolarHBondContact OD1-OG 3Å; A673-S751 CarbonylContact C-O 3.57Å; A673-S751 VanDerWaalsContact CA-O 3.29Å; A673-S751 WeakPolarHBondContact CA-O 3.33Å; E674-S751 PolarHBondContact N-O 2.91Å; E674-S751 PolarHBondContact O-N 2.9Å; S751-H753 PolarHBondContact O-CD2 2.86Å; S751-H753 PolarHBondContact OG-CD2 2.72Å; S751-H753 PolarHBondContact OG-NE2 3.5Å; S751-K780 PolarHBondContact OG-NZ 3.39Å |
| 752 | F | 97.2 | Very high | 90 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135.7 | 176.5 | -66.1 | -82.6 | 0 | 0 | 0 | 111.8 | V639 Y645 V664 V666 P667 A670 A673 V724 I730 I750 K780 | V639-F752 HydrophobicContact CG2-CD2 4.35Å; V639-F752 HydrophobicContact CG2-CE2 4.06Å; Y645-F752 PolarHBondContact O-N 3.4Å; Y645-F752 VanDerWaalsContact O-N 3.16Å; V664-F752 HydrophobicContact CB-CZ 4.26Å; V664-F752 HydrophobicContact CG1-CE2 3.74Å; V664-F752 HydrophobicContact CG1-CZ 3.82Å; V666-F752 HydrophobicContact CB-CE1 4.44Å; V666-F752 HydrophobicContact CG1-CD1 4Å; V666-F752 HydrophobicContact CG1-CE1 4.04Å; V666-F752 HydrophobicContact CG2-CE1 3.99Å; P667-F752 HydrophobicContact CG-CB 4.25Å; P667-F752 HydrophobicContact CG-CD2 4.41Å; P667-F752 HydrophobicContact CG-CG 4.32Å; A670-F752 HydrophobicContact CB-CB 4.36Å; A670-F752 HydrophobicContact CB-CD1 4.47Å; A673-F752 HydrophobicContact CB-CD1 3.94Å; A673-F752 HydrophobicContact CB-CE1 3.93Å; V724-F752 HydrophobicContact CG2-CD1 4.35Å; I730-F752 HydrophobicContact CG2-CE1 4.46Å; I730-F752 HydrophobicContact CG2-CZ 4.26Å; I750-F752 HydrophobicContact CG2-CE2 4.08Å; I750-F752 HydrophobicContact CG2-CZ 4.07Å; F752-K780 WeakPolarHBondContact O-CE 3.3Å |
| 753 | H | 95.6 | Very high | 90.2 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157.9 | -177.6 | -61.2 | -101.1 | 0 | 0 | 0 | 110.3 | A670 T671 W672 S751 E782 | A670-H753 CarbonylContact C-O 3.18Å; A670-H753 VanDerWaalsContact CA-O 3.26Å; A670-H753 WeakPolarHBondContact CA-O 3.36Å; T671-H753 PolarHBondContact N-O 3.14Å; W672-H753 HydrophobicContact CD2-CB 3.6Å; W672-H753 AromaticContact CE2-CG 3.72Å; W672-H753 HydrophobicContact CE3-CB 4.05Å; W672-H753 HydrophobicContact CG-CB 4.2Å; W672-H753 HydrophobicContact CH2-CB 3.68Å; W672-H753 HydrophobicContact CZ2-CB 3.19Å; W672-H753 AromaticContact CZ2-CG 3.77Å; W672-H753 HydrophobicContact CZ3-CB 4.09Å; W672-H753 PolarHBondContact N-O 3.37Å; W672-H753 AromaticContact NE1-CD2 3.69Å; W672-H753 AromaticContact NE1-CG 3.6Å; W672-H753 PolarHBondContact O-N 3.21Å; S751-H753 PolarHBondContact O-CD2 2.86Å; S751-H753 PolarHBondContact OG-CD2 2.72Å; S751-H753 PolarHBondContact OG-NE2 3.5Å; H753-E782 IonicContact CE1-OE1 3.34Å; H753-E782 IonicContact CG-OE1 3.79Å; H753-E782 IonicContact ND1-OE1 3.56Å; H753-E782 PolarHBondContact ND1-OE1 2.83Å |
| 754 | G | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -160.6 | 121.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G669 S777 | G669-G754 VanDerWaalsContact O-CA 3.22Å; G669-G754 WeakPolarHBondContact O-CA 3.5Å; G754-S777 WeakPolarHBondContact O-CA 3.47Å; G754-S777 WeakPolarHBondContact O-CB 3.42Å; G754-S777 PolarHBondContact O-OG 2.98Å | ||
| 755 | I | 92.2 | Very high | 90 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 23% | 0.226 | 31% | 0.306 | C | S | . | . | trans | -126.2 | 112.1 | 163.3 | -59 | 172.6 | 0 | 0 | 0 | 106.3 | T671 W672 V775 E782 L784 | T671-I755 WeakPolarHBondContact CG2-O 3.49Å; T671-I755 PolarHBondContact OG1-N 2.77Å; T671-I755 VanDerWaalsContact OG1-N 3.11Å; T671-I755 PolarHBondContact OG1-O 3.08Å; W672-I755 HydrophobicContact CH2-CD1 4.08Å; W672-I755 HydrophobicContact CH2-CG1 4Å; W672-I755 HydrophobicContact CZ3-CB 4.3Å; W672-I755 HydrophobicContact CZ3-CD1 4.3Å; W672-I755 HydrophobicContact CZ3-CG1 3.96Å; I755-V775 HydrophobicContact CG2-CB 4.22Å; I755-E782 HydrophobicContact CD1-CB 3.85Å; I755-E782 HydrophobicContact CD1-CG 4.41Å; I755-E782 HydrophobicContact CG1-CB 3.97Å; I755-E782 HydrophobicContact CG1-CG 4.13Å; I755-L784 HydrophobicContact CD1-CD1 3.91Å; I755-L784 HydrophobicContact CG2-CD1 4.02Å | ||
| 756 | V | 90.6 | Very high | 89.7 | Confident | 62 Ų | 62 | 57.9 Ų | 57.9 | 38% | 0.376 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.1 | -178.6 | -176.4 | 0 | 0 | 0 | 0 | 109 | G669 T671 V775 Q776 | G669-V756 VanDerWaalsContact O-CG2 3.3Å; G669-V756 WeakPolarHBondContact O-CG2 3.34Å; T671-V756 HydrophobicContact CG2-CG2 3.91Å; V756-V775 CarbonylContact O-C 3.59Å; V756-V775 VanDerWaalsContact O-CA 3.3Å; V756-V775 WeakPolarHBondContact O-CA 3.47Å; V756-Q776 PolarHBondContact N-O 2.88Å; V756-Q776 PolarHBondContact O-N 2.88Å |
| 757 | C | 88.1 | Confident | 89.6 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 22% | 0.216 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.8 | 168.3 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | A759 L762 D774 V775 | C757-A759 PolarHBondContact O-N 2.89Å; C757-A759 VanDerWaalsContact O-N 3.14Å; C757-L762 HydrophobicContact CB-CD2 4.48Å; C757-D774 CarbonylContact C-O 3.56Å; C757-D774 VanDerWaalsContact CA-O 3.3Å; C757-D774 WeakPolarHBondContact CA-O 3.41Å; C757-D774 PolarHBondContact SG-O 3.03Å; C757-V775 HydrophobicContact CB-CG1 4.19Å |
| 758 | T | 81.1 | Confident | 89.2 | Confident | 107 Ų | 107 | 66 Ų | 66 | 66% | 0.656 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -56 | -31.5 | 177.6 | -36.5 | 0 | 0 | 0 | 0 | 112.6 | D774 | T758-D774 PolarHBondContact N-O 2.82Å; T758-D774 VanDerWaalsContact OG1-CB 3.3Å; T758-D774 WeakPolarHBondContact OG1-CB 3.47Å; T758-D774 PolarHBondContact OG1-O 2.82Å; T758-D774 VanDerWaalsContact OG1-O 3.1Å |
| 759 | A | 79 | Confident | 88.8 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -98.6 | 122.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | C757 Q761 | C757-A759 PolarHBondContact O-N 2.89Å; C757-A759 VanDerWaalsContact O-N 3.14Å; A759-Q761 PolarHBondContact O-N 3.06Å |
| 760 | P | 70.7 | Confident | 88.4 | Confident | 136 Ų | 136 | 74.5 Ų | 74.5 | 88% | 0.883 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -70.2 | -20.4 | 179.4 | 27.9 | -34.5 | 0 | 0 | 0 | 113.1 | ||
| 761 | Q | 80.2 | Confident | 87.9 | Confident | 145 Ų | 145 | 76.5 Ų | 76.5 | 68% | 0.678 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -128 | 127.9 | 171.3 | -72.6 | -174.7 | -20.7 | 0 | 0 | 109.5 | A759 N763 | A759-Q761 PolarHBondContact O-N 3.06Å; Q761-N763 PolarHBondContact O-N 2.9Å |
| 762 | L | 84.3 | Confident | 87.5 | Confident | 99 Ų | 99 | 85.4 Ų | 85.4 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | trans | -84.6 | 98.5 | 178.5 | -56.6 | 178.8 | 0 | 0 | 0 | 109.4 | C757 F773 | C757-L762 HydrophobicContact CB-CD2 4.48Å; L762-F773 HydrophobicContact CB-CE1 4.28Å; L762-F773 HydrophobicContact CB-CZ 4.35Å; L762-F773 HydrophobicContact CD2-CD1 3.37Å; L762-F773 HydrophobicContact CD2-CD2 4.47Å; L762-F773 HydrophobicContact CD2-CE1 3.56Å; L762-F773 HydrophobicContact CD2-CG 3.87Å; L762-F773 HydrophobicContact CD2-CZ 4.2Å | ||
| 763 | N | 87.3 | Confident | 87 | Confident | 97 Ų | 97 | 88.4 Ų | 88.4 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | trans | -105.4 | 129.9 | 173.4 | -65.8 | -47.4 | 0 | 0 | 0 | 109.1 | Q761 | Q761-N763 PolarHBondContact O-N 2.9Š| ||
| 764 | I | 88.1 | Confident | 86.8 | Confident | 99 Ų | 99 | 90.5 Ų | 90.5 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | trans | -123.1 | 108.4 | 177.1 | -60.5 | 174.7 | 0 | 0 | 0 | 107.4 | N771 F773 I788 | I764-N771 HydrophobicContact CG1-CB 4.4Å; I764-F773 HydrophobicContact CD1-CE2 4.09Å; I764-F773 HydrophobicContact CD1-CZ 4.23Å; I764-F773 HydrophobicContact CG1-CE2 4.1Å; I764-F773 HydrophobicContact CG1-CZ 3.75Å; I764-I788 HydrophobicContact CD1-CD1 4.48Å | ||
| 765 | H | 89.6 | Confident | 86.6 | Confident | 104 Ų | 104 | 94 Ų | 94 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | trans | -88.4 | 126.3 | 172.9 | -66.1 | -78.4 | 0 | 0 | 0 | 110.1 | S767 E768 | H765-S767 PolarHBondContact O-N 3.46Å; H765-E768 HydrophobicContact CB-CB 4.36Å; H765-E768 HydrophobicContact CB-CG 3.82Å; H765-E768 IonicContact CD2-OE1 2.67Å; H765-E768 IonicContact CD2-OE2 3.96Å; H765-E768 IonicContact CG-OE2 3.74Å; H765-E768 PolarHBondContact O-N 3.21Å | ||
| 766 | A | 87.3 | Confident | 86.5 | Confident | 108 Ų | 108 | 98.4 Ų | 98.4 | 89% | 0.893 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 767 | S | 92.6 | Very high | 86.6 | Confident | 114 Ų | 114 | 97.8 Ų | 97.8 | 80% | 0.797 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.3 | 177.3 | 52.9 | 0 | 0 | 0 | 0 | 114.5 | H765 | H765-S767 PolarHBondContact O-N 3.46Š|
| 768 | E | 88.5 | Confident | 86.5 | Confident | 115 Ų | 115 | 99.1 Ų | 99.1 | 54% | 0.537 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -89 | -6.5 | -172.7 | -68.3 | 178.2 | 165.3 | 0 | 0 | 113.3 | H765 I770 | H765-E768 HydrophobicContact CB-CB 4.36Å; H765-E768 HydrophobicContact CB-CG 3.82Å; H765-E768 IonicContact CD2-OE1 2.67Å; H765-E768 IonicContact CD2-OE2 3.96Å; H765-E768 IonicContact CG-OE2 3.74Å; H765-E768 PolarHBondContact O-N 3.21Å; E768-I770 PolarHBondContact O-N 2.81Å |
| 769 | G | 88 | Confident | 87 | Confident | 58 Ų | 58 | 95.1 Ų | 95.1 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | trans | 70.2 | -120.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N771 | G769-N771 PolarHBondContact O-N 2.95Å; G769-N771 PolarHBondContact O-ND2 2.83Å | ||
| 770 | I | 89 | Confident | 87.5 | Confident | 169 Ų | 169 | 95.7 Ų | 95.7 | 87% | 0.867 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -77.1 | 118.5 | -177.1 | -60.3 | 175.7 | 0 | 0 | 0 | 109.6 | E768 | E768-I770 PolarHBondContact O-N 2.81Š|
| 771 | N | 86.6 | Confident | 88.4 | Confident | 44 Ų | 44 | 99 Ų | 99 | 24% | 0.235 | 53% | 0.525 | C | S | . | . | trans | -98.9 | 133.6 | 173.4 | -77.4 | -100.9 | 0 | 0 | 0 | 109.6 | I764 G769 F773 | I764-N771 HydrophobicContact CG1-CB 4.4Å; G769-N771 PolarHBondContact O-N 2.95Å; G769-N771 PolarHBondContact O-ND2 2.83Å; N771-F773 HydrophobicContact CB-CE2 4.19Å; N771-F773 HydrophobicContact CB-CZ 4.18Å | ||
| 772 | R | 87.4 | Confident | 89.1 | Confident | 198 Ų | 198 | 94.3 Ų | 94.3 | 75% | 0.747 | 50% | 0.502 | S | S | * | . | trans | -111.5 | 134.1 | 179 | 176.3 | 179.1 | 172.4 | 178.7 | -3 | 109.8 | D774 | R772-D774 IonicContact CZ-OD1 3.15Å; R772-D774 IonicContact CZ-OD2 3.88Å; R772-D774 IonicContact NE-OD1 2.75Å; R772-D774 PolarHBondContact NE-OD1 2.92Å; R772-D774 IonicContact NE-OD2 3.61Å; R772-D774 IonicContact NH2-OD1 2.73Å; R772-D774 PolarHBondContact NH2-OD1 2.95Å; R772-D774 IonicContact NH2-OD2 3.61Å | ||
| 773 | F | 87.6 | Confident | 89.4 | Confident | 64 Ų | 64 | 96.2 Ų | 96.2 | 28% | 0.281 | 51% | 0.513 | S | S | . | . | trans | -125.6 | 115.5 | 173.7 | -57.8 | -67 | 0 | 0 | 0 | 108.1 | L762 I764 N771 | L762-F773 HydrophobicContact CB-CE1 4.28Å; L762-F773 HydrophobicContact CB-CZ 4.35Å; L762-F773 HydrophobicContact CD2-CD1 3.37Å; L762-F773 HydrophobicContact CD2-CD2 4.47Å; L762-F773 HydrophobicContact CD2-CE1 3.56Å; L762-F773 HydrophobicContact CD2-CG 3.87Å; L762-F773 HydrophobicContact CD2-CZ 4.2Å; I764-F773 HydrophobicContact CD1-CE2 4.09Å; I764-F773 HydrophobicContact CD1-CZ 4.23Å; I764-F773 HydrophobicContact CG1-CE2 4.1Å; I764-F773 HydrophobicContact CG1-CZ 3.75Å; N771-F773 HydrophobicContact CB-CE2 4.19Å; N771-F773 HydrophobicContact CB-CZ 4.18Å | ||
| 774 | D | 90.3 | Very high | 89.5 | Confident | 71 Ų | 71 | 96.2 Ų | 96.2 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | trans | -85.7 | 141.8 | 170.3 | -49.6 | -60.1 | 0 | 0 | 0 | 109 | C757 T758 R772 | C757-D774 CarbonylContact C-O 3.56Å; C757-D774 VanDerWaalsContact CA-O 3.3Å; C757-D774 WeakPolarHBondContact CA-O 3.41Å; C757-D774 PolarHBondContact SG-O 3.03Å; T758-D774 PolarHBondContact N-O 2.82Å; T758-D774 VanDerWaalsContact OG1-CB 3.3Å; T758-D774 WeakPolarHBondContact OG1-CB 3.47Å; T758-D774 PolarHBondContact OG1-O 2.82Å; T758-D774 VanDerWaalsContact OG1-O 3.1Å; R772-D774 IonicContact CZ-OD1 3.15Å; R772-D774 IonicContact CZ-OD2 3.88Å; R772-D774 IonicContact NE-OD1 2.75Å; R772-D774 PolarHBondContact NE-OD1 2.92Å; R772-D774 IonicContact NE-OD2 3.61Å; R772-D774 IonicContact NH2-OD1 2.73Å; R772-D774 PolarHBondContact NH2-OD1 2.95Å; R772-D774 IonicContact NH2-OD2 3.61Å | ||
| 775 | V | 90.4 | Very high | 89.7 | Confident | 73 Ų | 73 | 96 Ų | 96 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.8 | -179.1 | -68.8 | 0 | 0 | 0 | 0 | 109.1 | I755 V756 C757 L784 | I755-V775 HydrophobicContact CG2-CB 4.22Å; V756-V775 CarbonylContact O-C 3.59Å; V756-V775 VanDerWaalsContact O-CA 3.3Å; V756-V775 WeakPolarHBondContact O-CA 3.47Å; C757-V775 HydrophobicContact CB-CG1 4.19Å; V775-L784 HydrophobicContact CG2-CD2 3.62Å |
| 776 | Q | 90.8 | Very high | 89.6 | Confident | 137 Ų | 137 | 96.4 Ų | 96.4 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 137.9 | -178.4 | -177.9 | 178.1 | -12.5 | 0 | 0 | 109.5 | V756 | V756-Q776 PolarHBondContact N-O 2.88Å; V756-Q776 PolarHBondContact O-N 2.88Å |
| 777 | S | 91.3 | Very high | 89.7 | Confident | 48 Ų | 48 | 96.5 Ų | 96.5 | 34% | 0.336 | 53% | 0.531 | S | S | . | . | trans | -105.4 | 124.1 | 162.6 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | G754 K780 | G754-S777 WeakPolarHBondContact O-CA 3.47Å; G754-S777 WeakPolarHBondContact O-CB 3.42Å; G754-S777 PolarHBondContact O-OG 2.98Å; S777-K780 PolarHBondContact OG-O 2.72Å | ||
| 778 | S | 87.5 | Confident | 89.5 | Confident | 61 Ų | 61 | 96.7 Ų | 96.7 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -105.4 | -11.1 | -179.5 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 779 | L | 90 | Very high | 89.7 | Confident | 22 Ų | 22 | 95.7 Ų | 95.7 | 12% | 0.115 | 52% | 0.523 | C | S | . | . | S | Bend | trans | -104.5 | -60.4 | -172 | -64.3 | 172.7 | 0 | 0 | 0 | 112.3 | Y645 P667 A670 | Y645-L779 HydrophobicContact CD1-CD2 3.85Å; Y645-L779 HydrophobicContact CD2-CB 4.07Å; Y645-L779 HydrophobicContact CD2-CD2 4.08Å; Y645-L779 HydrophobicContact CE1-CD2 3.58Å; Y645-L779 HydrophobicContact CE2-CB 4.1Å; Y645-L779 HydrophobicContact CE2-CD2 3.84Å; Y645-L779 VanDerWaalsContact CE2-O 3.3Å; Y645-L779 WeakPolarHBondContact CE2-O 3.28Å; Y645-L779 HydrophobicContact CG-CD2 4.08Å; P667-L779 HydrophobicContact CB-CD1 4.38Å; P667-L779 HydrophobicContact CB-CD2 3.67Å; A670-L779 VanDerWaalsContact CA-CD1 3.47Å; A670-L779 HydrophobicContact CB-CD1 3.6Å |
| 780 | K | 90.1 | Very high | 89.7 | Confident | 48 Ų | 48 | 100.8 Ų | 100.8 | 21% | 0.209 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -130.8 | 163.1 | -175.2 | -63 | -175.8 | -177.5 | -167.8 | 0 | 110.4 | H644 Y645 D646 S751 F752 S777 E782 | H644-K780 WeakPolarHBondContact O-CE 3.35Å; H644-K780 PolarHBondContact O-NZ 2.74Å; Y645-K780 HydrophobicContact CD2-CG 4.48Å; D646-K780 IonicContact OD1-NZ 3.69Å; D646-K780 PolarHBondContact OD1-NZ 2.81Å; D646-K780 IonicContact OD2-NZ 2.74Å; S751-K780 PolarHBondContact OG-NZ 3.39Å; F752-K780 WeakPolarHBondContact O-CE 3.3Å; S777-K780 PolarHBondContact OG-O 2.72Å; K780-E782 PolarHBondContact O-N 3.31Å |
| 781 | Y | 90.8 | Very high | 89.7 | Confident | 206 Ų | 206 | 101.8 Ų | 101.8 | 81% | 0.808 | 53% | 0.534 | S | S | * | . | trans | -69.2 | 128.6 | 166 | -173.8 | -90.5 | 0 | 0 | 0 | 108.8 | ||||
| 782 | E | 93.3 | Very high | 89.8 | Confident | 45 Ų | 45 | 104.4 Ų | 104.4 | 21% | 0.21 | 56% | 0.556 | C | S | . | * | trans | -131.3 | 137 | -176.8 | -64.1 | -64.4 | 166.5 | 0 | 0 | 110.2 | W672 H753 I755 K780 | W672-E782 HydrophobicContact CH2-CG 4.11Å; H753-E782 IonicContact CE1-OE1 3.34Å; H753-E782 IonicContact CG-OE1 3.79Å; H753-E782 IonicContact ND1-OE1 3.56Å; H753-E782 PolarHBondContact ND1-OE1 2.83Å; I755-E782 HydrophobicContact CD1-CB 3.85Å; I755-E782 HydrophobicContact CD1-CG 4.41Å; I755-E782 HydrophobicContact CG1-CB 3.97Å; I755-E782 HydrophobicContact CG1-CG 4.13Å; K780-E782 PolarHBondContact O-N 3.31Å | ||
| 783 | D | 91.1 | Very high | 89.9 | Confident | 139 Ų | 139 | 104.3 Ų | 104.3 | 74% | 0.743 | 56% | 0.556 | S | S | * | * | trans | -80.1 | 128.4 | 173.4 | -73 | -31.4 | 0 | 0 | 0 | 110.2 | ||||
| 784 | L | 89.1 | Confident | 90 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | trans | -109.4 | 119.5 | -175 | -172 | 78.6 | 0 | 0 | 0 | 111.8 | I755 V775 | I755-L784 HydrophobicContact CD1-CD1 3.91Å; I755-L784 HydrophobicContact CG2-CD1 4.02Å; V775-L784 HydrophobicContact CG2-CD2 3.62Å | ||
| 785 | A | 91.7 | Very high | 90 | Very high | 95 Ų | 95 | 108 Ų | 108 | 79% | 0.785 | 58% | 0.579 | S | S | * | * | trans | -135.9 | 79.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 786 | P | 87.9 | Confident | 90.2 | Very high | 112 Ų | 112 | 110.8 Ų | 110.8 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | trans | -72.4 | 138.9 | -171.6 | 30.2 | -30.4 | 0 | 0 | 0 | 111.2 | ||||
| 787 | C | 90.8 | Very high | 90.3 | Very high | 110 Ų | 110 | 107.2 Ų | 107.2 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | trans | -132.8 | 131.5 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 788 | I | 87.7 | Confident | 90.5 | Very high | 117 Ų | 117 | 115.5 Ų | 115.5 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | trans | -117.6 | 126.8 | 175.9 | -58.8 | 175.8 | 0 | 0 | 0 | 108 | I764 | I764-I788 HydrophobicContact CD1-CD1 4.48Š| ||
| 789 | T | 92.1 | Very high | 90.8 | Very high | 95 Ų | 95 | 115.6 Ų | 115.6 | 58% | 0.583 | 60% | 0.604 | S | S | * | * | trans | -133.4 | 125.6 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | K791 | T789-K791 HydrophobicContact CG2-CG 4.12Å; T789-K791 PolarHBondContact O-N 2.79Å | ||
| 790 | L | 89.2 | Confident | 91.2 | Very high | 165 Ų | 165 | 119.3 Ų | 119.3 | 86% | 0.864 | 63% | 0.628 | S | S | * | * | trans | -84.7 | 108.9 | 173 | -58.5 | 178.9 | 0 | 0 | 0 | 109.1 | ||||
| 791 | K | 88.8 | Confident | 91.5 | Very high | 190 Ų | 190 | 120.2 Ų | 120.2 | 83% | 0.826 | 64% | 0.635 | S | S | * | * | trans | -96.1 | -29.3 | -174.3 | -65.6 | -177 | 179.6 | 178.1 | 0 | 114.1 | T789 | T789-K791 HydrophobicContact CG2-CG 4.12Å; T789-K791 PolarHBondContact O-N 2.79Å | ||
| 792 | S | 88.2 | Confident | 91.8 | Very high | 99 Ų | 99 | 113.3 Ų | 113.3 | 69% | 0.692 | 62% | 0.621 | S | S | * | * | trans | -133.6 | 145.3 | -173 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 793 | W | 88.8 | Confident | 92 | Very high | 196 Ų | 196 | 117.5 Ų | 117.5 | 74% | 0.742 | 64% | 0.638 | S | S | * | * | trans | -104.8 | 125.6 | 168.1 | 172.6 | 61.9 | 0 | 0 | 0 | 108.6 | Q795 | W793-Q795 HydrophobicContact CH2-CB 3.99Å; W793-Q795 HydrophobicContact CH2-CG 4.26Å; W793-Q795 HydrophobicContact CZ2-CB 4.11Å; W793-Q795 HydrophobicContact CZ2-CG 4.39Å; W793-Q795 HydrophobicContact CZ3-CB 4.36Å | ||
| 794 | V | 90.4 | Very high | 92.3 | Very high | 118 Ų | 118 | 115.6 Ų | 115.6 | 72% | 0.715 | 63% | 0.631 | S | S | * | * | trans | -104.4 | 126.5 | -179.1 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 795 | Q | 91 | Very high | 92.6 | Very high | 94 Ų | 94 | 118.1 Ų | 118.1 | 44% | 0.439 | 63% | 0.634 | S | S | . | * | trans | -112.2 | 125 | 173.8 | -175.7 | 179.7 | 11.7 | 0 | 0 | 109.8 | W793 L797 | W793-Q795 HydrophobicContact CH2-CB 3.99Å; W793-Q795 HydrophobicContact CH2-CG 4.26Å; W793-Q795 HydrophobicContact CZ2-CB 4.11Å; W793-Q795 HydrophobicContact CZ2-CG 4.39Å; W793-Q795 HydrophobicContact CZ3-CB 4.36Å; Q795-L797 HydrophobicContact CG-CD2 4.02Å | ||
| 796 | T | 93.7 | Very high | 92.8 | Very high | 132 Ų | 132 | 117.2 Ų | 117.2 | 81% | 0.81 | 62% | 0.62 | S | S | * | * | trans | -83.7 | 129.5 | 173 | -47.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 797 | L | 93.5 | Very high | 93.1 | Very high | 61 Ų | 61 | 113.9 Ų | 113.9 | 32% | 0.319 | 60% | 0.596 | S | S | . | * | trans | -116.1 | 146.1 | 179 | -59.3 | 174.9 | 0 | 0 | 0 | 110.4 | Q795 Y826 F828 | Q795-L797 HydrophobicContact CG-CD2 4.02Å; L797-Y826 HydrophobicContact CB-CD1 3.96Å; L797-F828 HydrophobicContact CD1-CB 3.84Å; L797-F828 HydrophobicContact CD1-CD1 4.42Å; L797-F828 HydrophobicContact CD1-CG 4.41Å; L797-F828 HydrophobicContact CD2-CB 4.22Å | ||
| 798 | R | 94.3 | Very high | 93.1 | Very high | 223 Ų | 223 | 109.9 Ų | 109.9 | 84% | 0.842 | 57% | 0.574 | S | S | * | * | trans | -108.3 | 147.5 | 167.8 | -66.8 | -176.2 | -179.6 | -175.8 | -0.1 | 108.8 | V800 | R798-V800 PolarHBondContact O-N 2.87Š| ||
| 799 | P | 95.6 | Very high | 93.2 | Very high | 62 Ų | 62 | 107.9 Ų | 107.9 | 40% | 0.403 | 57% | 0.57 | S | S | . | * | trans | -63.6 | 133.7 | 177.1 | 26.3 | -32.8 | 0 | 0 | 0 | 109.9 | N801 L824 T825 Y826 | P799-N801 VanDerWaalsContact C-N 3.33Å; P799-L824 HydrophobicContact CB-CB 4.36Å; P799-L824 HydrophobicContact CB-CD2 4.49Å; P799-T825 CarbonylContact C-O 3.53Å; P799-T825 VanDerWaalsContact CA-O 3.25Å; P799-T825 WeakPolarHBondContact CA-O 3.38Å; P799-Y826 HydrophobicContact CB-CD1 4.43Å; P799-Y826 HydrophobicContact CB-CE1 3.96Å; P799-Y826 HydrophobicContact CG-CE1 4.4Å | ||
| 800 | V | 97.2 | Very high | 93.2 | Very high | 100 Ų | 100 | 105.1 Ų | 105.1 | 61% | 0.606 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -81.2 | -20.1 | 172.3 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | R798 T825 | R798-V800 PolarHBondContact O-N 2.87Å; V800-T825 HydrophobicContact CG2-CG2 3.9Å; V800-T825 WeakPolarHBondContact CG2-O 3.28Å; V800-T825 PolarHBondContact N-O 3.49Å |
| 801 | N | 97.1 | Very high | 93.5 | Very high | 68 Ų | 68 | 97.5 Ų | 97.5 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 144.4 | 177 | -161.4 | -30.7 | 0 | 0 | 0 | 109.7 | P799 K803 L824 T825 | P799-N801 VanDerWaalsContact C-N 3.33Å; N801-K803 WeakPolarHBondContact OD1-CG 3.5Å; N801-L824 WeakPolarHBondContact O-CA 3.29Å; N801-T825 PolarHBondContact O-N 3.44Å |
| 802 | A | 96.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 90.2 Ų | 90.2 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 120.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | V823 L824 | A802-V823 WeakPolarHBondContact CA-O 3.47Å; A802-L824 HydrophobicContact CB-CD2 3.55Å |
| 803 | K | 97.1 | Very high | 94.1 | Very high | 133 Ų | 133 | 85.7 Ų | 85.7 | 58% | 0.578 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128 | 178.2 | -64.7 | -173.6 | -178.8 | 179.2 | 0 | 110.5 | N801 M822 V823 | N801-K803 WeakPolarHBondContact OD1-CG 3.5Å; K803-M822 CarbonylContact O-C 3.6Å; K803-M822 WeakPolarHBondContact O-CA 3.43Å; K803-V823 PolarHBondContact N-O 2.98Å; K803-V823 PolarHBondContact O-N 3.46Å |
| 804 | T | 96.7 | Very high | 94.2 | Very high | 98 Ų | 98 | 77.4 Ų | 77.4 | 60% | 0.601 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.3 | 172.7 | -51.2 | 0 | 0 | 0 | 0 | 109.9 | E821 | T804-E821 CarbonylContact C-O 3.57Å; T804-E821 VanDerWaalsContact CA-O 3.24Å; T804-E821 WeakPolarHBondContact CA-O 3.43Å |
| 805 | R | 95.9 | Very high | 94.1 | Very high | 151 Ų | 151 | 78.6 Ų | 78.6 | 57% | 0.57 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 151.8 | 174.4 | 61.8 | 175.9 | 174.8 | 151.6 | 10.1 | 111.8 | Y820 E821 | R805-Y820 WeakPolarHBondContact O-CA 3.34Å; R805-E821 HydrophobicContact CG-CG 3.74Å; R805-E821 IonicContact CZ-OE1 3Å; R805-E821 PolarHBondContact N-O 2.86Å; R805-E821 IonicContact NE-OE1 3.89Å; R805-E821 PolarHBondContact NE-OE1 2.83Å; R805-E821 IonicContact NH2-OE1 3.75Å; R805-E821 PolarHBondContact NH2-OE1 2.83Å; R805-E821 PolarHBondContact O-N 2.96Å |
| 806 | P | 95.6 | Very high | 94.1 | Very high | 76 Ų | 76 | 81.2 Ų | 81.2 | 49% | 0.494 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 144.3 | 167.6 | 28.6 | -34 | 0 | 0 | 0 | 109.8 | Q818 Y820 | P806-Q818 HydrophobicContact CB-CG 4.04Å; P806-Y820 HydrophobicContact CB-CD1 3.97Å; P806-Y820 HydrophobicContact CB-CE1 3.78Å; P806-Y820 HydrophobicContact CG-CE1 4.44Å |
| 807 | L | 94.3 | Very high | 94.2 | Very high | 43 Ų | 43 | 79.1 Ų | 79.1 | 23% | 0.225 | 42% | 0.416 | C | S | . | . | trans | -82.7 | 176 | 173.4 | -73.3 | 169.6 | 0 | 0 | 0 | 111.7 | D811 Q818 L819 E821 | L807-D811 HydrophobicContact CB-CB 3.32Å; L807-D811 HydrophobicContact CD1-CB 3.89Å; L807-D811 HydrophobicContact CG-CB 4.23Å; L807-Q818 PolarHBondContact O-NE2 2.91Å; L807-Q818 VanDerWaalsContact O-NE2 3.1Å; L807-L819 HydrophobicContact CD1-CB 4.17Å; L807-L819 PolarHBondContact N-O 2.86Å; L807-E821 HydrophobicContact CD1-CB 4.29Å; L807-E821 HydrophobicContact CD2-CB 3.92Å; L807-E821 HydrophobicContact CD2-CG 3.65Å; L807-E821 WeakPolarHBondContact CD2-OE2 3.39Å; L807-E821 HydrophobicContact CG-CB 4.08Å; L807-E821 HydrophobicContact CG-CG 4.09Å | ||
| 808 | G | 90.6 | Very high | 94.3 | Very high | 26 Ų | 26 | 79.3 Ų | 79.3 | 27% | 0.268 | 42% | 0.415 | S | S | . | . | trans | -77.1 | -169.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R810 D811 | G808-R810 VanDerWaalsContact C-N 3.28Å; G808-R810 PolarHBondContact O-N 2.86Å; G808-D811 PolarHBondContact O-N 3.11Å; G808-D811 VanDerWaalsContact O-N 3.08Å | ||
| 809 | S | 90.4 | Very high | 94.4 | Very high | 74 Ų | 74 | 69.5 Ų | 69.5 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.4 | -173.2 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | D250 D811 | D250-S809 WeakPolarHBondContact OD1-CB 3.45Å; D250-S809 PolarHBondContact OD1-N 3.36Å; D250-S809 PolarHBondContact OD1-OG 3.28Å; S809-D811 VanDerWaalsContact C-N 3.28Å; S809-D811 PolarHBondContact O-N 3.15Å |
| 810 | R | 92.3 | Very high | 94.4 | Very high | 37 Ų | 37 | 73.8 Ų | 73.8 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -7.9 | 177.7 | 69.4 | -176.8 | 179.4 | 179.4 | -3.7 | 114.7 | D75 G808 | D75-R810 VanDerWaalsContact CG-NH1 3.28Å; D75-R810 IonicContact OD1-CZ 2.71Å; D75-R810 IonicContact OD1-NH1 3.52Å; D75-R810 PolarHBondContact OD1-NH1 3.11Å; D75-R810 IonicContact OD2-CZ 3.78Å; D75-R810 IonicContact OD2-NH1 3.83Å; D75-R810 PolarHBondContact OD2-NH1 3.01Å; D75-R810 IonicContact OD2-NH2 3.71Å; D75-R810 PolarHBondContact OD2-NH2 3.01Å; G808-R810 VanDerWaalsContact C-N 3.28Å; G808-R810 PolarHBondContact O-N 2.86Å |
| 811 | D | 95 | Very high | 94.3 | Very high | 5 Ų | 5 | 71.6 Ų | 71.6 | 3% | 0.027 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -111.5 | 45.4 | -171.2 | -68.6 | -65.5 | 0 | 0 | 0 | 111.3 | R312 L807 G808 S809 Q818 L819 | R312-D811 IonicContact CZ-OD1 2.66Å; R312-D811 IonicContact CZ-OD2 3.32Å; R312-D811 IonicContact NE-OD1 3.45Å; R312-D811 PolarHBondContact NE-OD1 2.8Å; R312-D811 IonicContact NE-OD2 2.84Å; R312-D811 VanDerWaalsContact NH2-CG 3.29Å; R312-D811 IonicContact NH2-OD1 3.65Å; R312-D811 PolarHBondContact NH2-OD1 2.83Å; R312-D811 IonicContact NH2-OD2 3.24Å; R312-D811 PolarHBondContact NH2-OD2 2.86Å; L807-D811 HydrophobicContact CB-CB 3.32Å; L807-D811 HydrophobicContact CD1-CB 3.89Å; L807-D811 HydrophobicContact CG-CB 4.23Å; G808-D811 PolarHBondContact O-N 3.11Å; G808-D811 VanDerWaalsContact O-N 3.08Å; S809-D811 VanDerWaalsContact C-N 3.28Å; S809-D811 PolarHBondContact O-N 3.15Å; D811-Q818 PolarHBondContact O-NE2 3.27Å; D811-L819 HydrophobicContact CB-CB 4.25Å; D811-L819 HydrophobicContact CB-CD1 4.39Å; D811-L819 VanDerWaalsContact O-CB 3.26Å; D811-L819 WeakPolarHBondContact O-CB 3.35Å; D811-L819 WeakPolarHBondContact O-CG 3.46Å; D811-L819 PolarHBondContact O-N 2.88Å |
| 812 | V | 95.5 | Very high | 94.2 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 114.8 | -178.5 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 813 | L | 94.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 161 | 173.8 | -78.7 | 167.3 | 0 | 0 | 0 | 111 | I311 I315 V344 N816 R817 L819 | I311-L813 HydrophobicContact CG2-CD2 4.5Å; I315-L813 HydrophobicContact CD1-CD2 4.07Å; I315-L813 HydrophobicContact CD1-CG 4.21Å; I315-L813 HydrophobicContact CG1-CD2 3.64Å; I315-L813 HydrophobicContact CG1-CG 4.27Å; V344-L813 HydrophobicContact CG1-CD2 4Å; V344-L813 HydrophobicContact CG2-CD2 4.36Å; L813-N816 PolarHBondContact O-N 2.88Å; L813-R817 HydrophobicContact CB-CB 3.81Å; L813-R817 PolarHBondContact N-O 2.98Å; L813-R817 PolarHBondContact O-N 3.26Å; L813-R817 VanDerWaalsContact O-N 3.14Å; L813-L819 HydrophobicContact CD1-CD2 3.85Å; L813-L819 HydrophobicContact CG-CD2 4.3Å |
| 814 | P | 90.5 | Very high | 94.1 | Very high | 22 Ų | 22 | 71 Ų | 71 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 148.4 | 175.4 | -28.5 | 34.5 | 0 | 0 | 0 | 112.9 | I318 R817 | I318-P814 HydrophobicContact CD1-CG 3.94Å; I318-P814 HydrophobicContact CG2-CG 3.85Å; P814-R817 PolarHBondContact O-NE 3.02Å |
| 815 | N | 88.7 | Confident | 94.1 | Very high | 143 Ų | 143 | 69.3 Ų | 69.3 | 77% | 0.765 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 35.5 | -173.3 | -52.4 | -45.9 | 0 | 0 | 0 | 114.1 | R817 | N815-R817 PolarHBondContact O-N 2.92Š|
| 816 | N | 92 | Very high | 94 | Very high | 149 Ų | 149 | 67.1 Ų | 67.1 | 80% | 0.797 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 33.6 | 177 | -59.6 | -35.2 | 0 | 0 | 0 | 113.7 | L813 Q818 | L813-N816 PolarHBondContact O-N 2.88Å; N816-Q818 PolarHBondContact O-N 3.17Å |
| 817 | R | 94.8 | Very high | 94 | Very high | 88 Ų | 88 | 67.3 Ų | 67.3 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 89.7 | 175.3 | -75.2 | -177.4 | -62.2 | 167.6 | 5.1 | 108.8 | E347 L813 P814 N815 | E347-R817 IonicContact OE1-CZ 3.67Å; E347-R817 IonicContact OE1-NH1 2.63Å; E347-R817 IonicContact OE1-NH2 3.15Å; E347-R817 PolarHBondContact OE1-NH2 3.39Å; E347-R817 IonicContact OE2-CZ 3.6Å; E347-R817 IonicContact OE2-NH1 2.74Å; E347-R817 PolarHBondContact OE2-NH1 3.48Å; E347-R817 IonicContact OE2-NH2 3.88Å; E347-R817 PolarHBondContact OE2-NH2 3.48Å; L813-R817 HydrophobicContact CB-CB 3.81Å; L813-R817 PolarHBondContact N-O 2.98Å; L813-R817 PolarHBondContact O-N 3.26Å; L813-R817 VanDerWaalsContact O-N 3.14Å; P814-R817 PolarHBondContact O-NE 3.02Å; N815-R817 PolarHBondContact O-N 2.92Å |
| 818 | Q | 96.1 | Very high | 93.9 | Very high | 64 Ų | 64 | 69.5 Ų | 69.5 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 130.6 | 178.4 | -178.8 | 63.8 | 63.6 | 0 | 0 | 111.5 | P806 L807 D811 N816 Y820 | P806-Q818 HydrophobicContact CB-CG 4.04Å; L807-Q818 PolarHBondContact O-NE2 2.91Å; L807-Q818 VanDerWaalsContact O-NE2 3.1Å; D811-Q818 PolarHBondContact O-NE2 3.27Å; N816-Q818 PolarHBondContact O-N 3.17Å; Q818-Y820 HydrophobicContact CB-CE2 3.98Å; Q818-Y820 HydrophobicContact CG-CD2 4.37Å; Q818-Y820 HydrophobicContact CG-CE2 3.86Å; Q818-Y820 WeakPolarHBondContact O-CD2 3.27Å; Q818-Y820 WeakPolarHBondContact O-CE2 3.25Å |
| 819 | L | 96.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 75.3 Ų | 75.3 | 9% | 0.094 | 38% | 0.379 | C | S | . | . | trans | -85.8 | 146.1 | 168.6 | -55.7 | 177.4 | 0 | 0 | 0 | 110.5 | I311 I315 L807 D811 L813 | I311-L819 HydrophobicContact CG2-CD1 3.77Å; I315-L819 HydrophobicContact CD1-CD1 4.36Å; L807-L819 HydrophobicContact CD1-CB 4.17Å; L807-L819 PolarHBondContact N-O 2.86Å; D811-L819 HydrophobicContact CB-CB 4.25Å; D811-L819 HydrophobicContact CB-CD1 4.39Å; D811-L819 VanDerWaalsContact O-CB 3.26Å; D811-L819 WeakPolarHBondContact O-CB 3.35Å; D811-L819 WeakPolarHBondContact O-CG 3.46Å; D811-L819 PolarHBondContact O-N 2.88Å; L813-L819 HydrophobicContact CD1-CD2 3.85Å; L813-L819 HydrophobicContact CG-CD2 4.3Å | ||
| 820 | Y | 96.1 | Very high | 93.8 | Very high | 152 Ų | 152 | 75.5 Ų | 75.5 | 60% | 0.596 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 144 | -179.9 | -65.8 | -101.7 | 0 | 0 | 0 | 109.1 | R805 P806 Q818 | R805-Y820 WeakPolarHBondContact O-CA 3.34Å; P806-Y820 HydrophobicContact CB-CD1 3.97Å; P806-Y820 HydrophobicContact CB-CE1 3.78Å; P806-Y820 HydrophobicContact CG-CE1 4.44Å; Q818-Y820 HydrophobicContact CB-CE2 3.98Å; Q818-Y820 HydrophobicContact CG-CD2 4.37Å; Q818-Y820 HydrophobicContact CG-CE2 3.86Å; Q818-Y820 WeakPolarHBondContact O-CD2 3.27Å; Q818-Y820 WeakPolarHBondContact O-CE2 3.25Å |
| 821 | E | 95.1 | Very high | 93.5 | Very high | 53 Ų | 53 | 78.6 Ų | 78.6 | 25% | 0.248 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 151.2 | 170.7 | 63.8 | 166.5 | -149 | 0 | 0 | 111.4 | T804 R805 L807 V823 | T804-E821 CarbonylContact C-O 3.57Å; T804-E821 VanDerWaalsContact CA-O 3.24Å; T804-E821 WeakPolarHBondContact CA-O 3.43Å; R805-E821 HydrophobicContact CG-CG 3.74Å; R805-E821 IonicContact CZ-OE1 3Å; R805-E821 PolarHBondContact N-O 2.86Å; R805-E821 IonicContact NE-OE1 3.89Å; R805-E821 PolarHBondContact NE-OE1 2.83Å; R805-E821 IonicContact NH2-OE1 3.75Å; R805-E821 PolarHBondContact NH2-OE1 2.83Å; R805-E821 PolarHBondContact O-N 2.96Å; L807-E821 HydrophobicContact CD1-CB 4.29Å; L807-E821 HydrophobicContact CD2-CB 3.92Å; L807-E821 HydrophobicContact CD2-CG 3.65Å; L807-E821 WeakPolarHBondContact CD2-OE2 3.39Å; L807-E821 HydrophobicContact CG-CB 4.08Å; L807-E821 HydrophobicContact CG-CG 4.09Å; E821-V823 HydrophobicContact CG-CG2 4.42Å; E821-V823 VanDerWaalsContact OE1-CG2 3.32Å; E821-V823 WeakPolarHBondContact OE1-CG2 3.4Å |
| 822 | M | 95.1 | Very high | 93.1 | Very high | 113 Ų | 113 | 86.7 Ų | 86.7 | 56% | 0.557 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 107.9 | 170.2 | 174.6 | 168.4 | 36.5 | 0 | 0 | 109 | K803 L824 | K803-M822 CarbonylContact O-C 3.6Å; K803-M822 WeakPolarHBondContact O-CA 3.43Å; M822-L824 HydrophobicContact CG-CD2 3.86Å; M822-L824 HydrophobicContact CG-CG 4.31Å; M822-L824 HydrophobicContact SD-CD2 4.18Å |
| 823 | V | 95.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 91.3 Ų | 91.3 | 39% | 0.394 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.7 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | A802 K803 E821 | A802-V823 WeakPolarHBondContact CA-O 3.47Å; K803-V823 PolarHBondContact N-O 2.98Å; K803-V823 PolarHBondContact O-N 3.46Å; E821-V823 HydrophobicContact CG-CG2 4.42Å; E821-V823 VanDerWaalsContact OE1-CG2 3.32Å; E821-V823 WeakPolarHBondContact OE1-CG2 3.4Å |
| 824 | L | 95.6 | Very high | 92.2 | Very high | 71 Ų | 71 | 93.5 Ų | 93.5 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.2 | 175.8 | -56.9 | -177.9 | 0 | 0 | 0 | 109.6 | P799 N801 A802 M822 Y826 | P799-L824 HydrophobicContact CB-CB 4.36Å; P799-L824 HydrophobicContact CB-CD2 4.49Å; N801-L824 WeakPolarHBondContact O-CA 3.29Å; A802-L824 HydrophobicContact CB-CD2 3.55Å; M822-L824 HydrophobicContact CG-CD2 3.86Å; M822-L824 HydrophobicContact CG-CG 4.31Å; M822-L824 HydrophobicContact SD-CD2 4.18Å; L824-Y826 HydrophobicContact CB-CD2 4.46Å; L824-Y826 HydrophobicContact CB-CE2 3.55Å; L824-Y826 WeakPolarHBondContact CD1-OH 3.18Å |
| 825 | T | 95.9 | Very high | 92 | Very high | 64 Ų | 64 | 98.7 Ų | 98.7 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.5 | 177.6 | -52.1 | 0 | 0 | 0 | 0 | 110.1 | P799 V800 N801 | P799-T825 CarbonylContact C-O 3.53Å; P799-T825 VanDerWaalsContact CA-O 3.25Å; P799-T825 WeakPolarHBondContact CA-O 3.38Å; V800-T825 HydrophobicContact CG2-CG2 3.9Å; V800-T825 WeakPolarHBondContact CG2-O 3.28Å; V800-T825 PolarHBondContact N-O 3.49Å; N801-T825 PolarHBondContact O-N 3.44Å |
| 826 | Y | 95.3 | Very high | 92 | Very high | 105 Ų | 105 | 94.7 Ų | 94.7 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | trans | -121.5 | 156.3 | 175.8 | -59.8 | -95 | 0 | 0 | 0 | 109.9 | L797 P799 L824 | L797-Y826 HydrophobicContact CB-CD1 3.96Å; P799-Y826 HydrophobicContact CB-CD1 4.43Å; P799-Y826 HydrophobicContact CB-CE1 3.96Å; P799-Y826 HydrophobicContact CG-CE1 4.4Å; L824-Y826 HydrophobicContact CB-CD2 4.46Å; L824-Y826 HydrophobicContact CB-CE2 3.55Å; L824-Y826 WeakPolarHBondContact CD1-OH 3.18Å | ||
| 827 | S | 94 | Very high | 91.9 | Very high | 79 Ų | 79 | 90 Ų | 90 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | trans | -137.4 | 133.3 | 174.3 | -57.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 828 | F | 92.8 | Very high | 91.6 | Very high | 90 Ų | 90 | 87.6 Ų | 87.6 | 40% | 0.395 | 47% | 0.465 | S | S | . | . | trans | -143 | 161.3 | 176 | 72.5 | -83.2 | 0 | 0 | 0 | 110.1 | L797 Q830 V836 | L797-F828 HydrophobicContact CD1-CB 3.84Å; L797-F828 HydrophobicContact CD1-CD1 4.42Å; L797-F828 HydrophobicContact CD1-CG 4.41Å; L797-F828 HydrophobicContact CD2-CB 4.22Å; F828-Q830 HydrophobicContact CE2-CB 4.5Å; F828-V836 HydrophobicContact CE2-CG1 4.04Å; F828-V836 HydrophobicContact CE2-CG2 4.31Å; F828-V836 HydrophobicContact CZ-CG1 4.01Å | ||
| 829 | H | 91.1 | Very high | 91.3 | Very high | 147 Ų | 147 | 87.7 Ų | 87.7 | 68% | 0.681 | 47% | 0.472 | S | S | * | . | trans | -125.4 | 130.8 | 178.4 | 176.5 | 68.7 | 0 | 0 | 0 | 109.5 | P831 | H829-P831 WeakPolarHBondContact O-CD 3.4Š| ||
| 830 | Q | 87.7 | Confident | 91 | Very high | 79 Ų | 79 | 89.2 Ų | 89.2 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | trans | -108 | 103.2 | 178.6 | 179.4 | 173.8 | 5.3 | 0 | 0 | 109.7 | F828 K832 G834 | F828-Q830 HydrophobicContact CE2-CB 4.5Å; Q830-K832 VanDerWaalsContact C-N 3.32Å; Q830-K832 WeakPolarHBondContact CG-O 3.11Å; Q830-K832 PolarHBondContact NE2-O 2.86Å; Q830-K832 PolarHBondContact O-N 2.74Å; Q830-G834 PolarHBondContact NE2-O 3.49Å | ||
| 831 | P | 86.5 | Confident | 90.5 | Very high | 101 Ų | 101 | 87.5 Ų | 87.5 | 66% | 0.656 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -77.3 | -18.2 | -175.6 | 30.2 | -35.7 | 0 | 0 | 0 | 113.5 | H829 | H829-P831 WeakPolarHBondContact O-CD 3.4Š|
| 832 | K | 86.4 | Confident | 90.1 | Very high | 175 Ų | 175 | 92.2 Ų | 92.2 | 76% | 0.761 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -135.7 | 141 | 179.7 | -66.8 | -174.8 | -179.7 | -179.4 | 0 | 110.4 | Q830 G834 | Q830-K832 VanDerWaalsContact C-N 3.32Å; Q830-K832 WeakPolarHBondContact CG-O 3.11Å; Q830-K832 PolarHBondContact NE2-O 2.86Å; Q830-K832 PolarHBondContact O-N 2.74Å; K832-G834 PolarHBondContact O-N 3.16Å |
| 833 | S | 85.5 | Confident | 89.8 | Confident | 136 Ų | 136 | 88.4 Ų | 88.4 | 95% | 0.951 | 50% | 0.499 | S | S | * | . | trans | -56 | 138.3 | 174.1 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 834 | G | 85.3 | Confident | 89.4 | Confident | 49 Ų | 49 | 86.1 Ų | 86.1 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | trans | 172 | 165.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q830 K832 | Q830-G834 PolarHBondContact NE2-O 3.49Å; K832-G834 PolarHBondContact O-N 3.16Å | ||
| 835 | E | 87.2 | Confident | 89 | Confident | 132 Ų | 132 | 88.1 Ų | 88.1 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | trans | -75.7 | 137.9 | 176.6 | -166.1 | -177.5 | 171.9 | 0 | 0 | 110.4 | R878 | E835-R878 IonicContact OE1-CZ 3.98Å; E835-R878 VanDerWaalsContact OE1-CZ 3.28Å; E835-R878 IonicContact OE1-NE 3.21Å; E835-R878 PolarHBondContact OE1-NE 2.96Å; E835-R878 IonicContact OE1-NH2 3.65Å; E835-R878 PolarHBondContact OE1-NH2 3.4Å; E835-R878 IonicContact OE2-CZ 3.77Å; E835-R878 IonicContact OE2-NH1 3.64Å; E835-R878 IonicContact OE2-NH2 3.18Å; E835-R878 PolarHBondContact OE2-NH2 3.38Å | ||
| 836 | V | 87.7 | Confident | 88.8 | Confident | 59 Ų | 59 | 86.6 Ų | 86.6 | 36% | 0.358 | 48% | 0.483 | S | S | . | . | trans | -122.2 | 127.3 | 176.6 | 178 | 0 | 0 | 0 | 0 | 108.1 | F828 | F828-V836 HydrophobicContact CE2-CG1 4.04Å; F828-V836 HydrophobicContact CE2-CG2 4.31Å; F828-V836 HydrophobicContact CZ-CG1 4.01Å | ||
| 837 | T | 89 | Confident | 88.7 | Confident | 51 Ų | 51 | 81.8 Ų | 81.8 | 31% | 0.313 | 46% | 0.464 | S | S | . | . | trans | -122.8 | 102 | 177 | -52.1 | 0 | 0 | 0 | 0 | 109.1 | P874 | T837-P874 HydrophobicContact CG2-CB 3.84Š| ||
| 838 | P | 90.5 | Very high | 88.7 | Confident | 37 Ų | 37 | 78 Ų | 78 | 24% | 0.24 | 44% | 0.438 | C | S | . | . | trans | -60.6 | 138.1 | 169.2 | -21.8 | 34 | 0 | 0 | 0 | 110.7 | W857 I859 P874 | P838-W857 HydrophobicContact CB-CD2 3.89Å; P838-W857 HydrophobicContact CB-CE3 4.22Å; P838-W857 HydrophobicContact CB-CG 4.31Å; P838-W857 HydrophobicContact CB-CZ2 4.17Å; P838-W857 HydrophobicContact CG-CD2 3.95Å; P838-W857 HydrophobicContact CG-CE3 3.76Å; P838-W857 HydrophobicContact CG-CH2 3.87Å; P838-W857 HydrophobicContact CG-CZ2 4.01Å; P838-W857 HydrophobicContact CG-CZ3 3.74Å; P838-I859 HydrophobicContact CG-CD1 3.67Å; P838-I859 HydrophobicContact CG-CG1 4.13Å; P838-P874 VanDerWaalsContact O-CB 3.32Å; P838-P874 WeakPolarHBondContact O-CB 3.4Å | ||
| 839 | S | 89.1 | Confident | 88.8 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | trans | -141.1 | 133.3 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | P841 | S839-P841 WeakPolarHBondContact O-CD 3.35Š| ||
| 840 | C | 89.7 | Confident | 88.9 | Confident | 50 Ų | 50 | 67 Ų | 67 | 34% | 0.338 | 39% | 0.388 | S | S | . | . | trans | -109.4 | 95.6 | 170.8 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | L842 L843 C844 | C840-L842 PolarHBondContact O-N 3.3Å; C840-L843 HydrophobicContact CB-CB 4.26Å; C840-L843 PolarHBondContact O-N 3.34Å; C840-C844 PolarHBondContact N-SG 3.21Å; C840-C844 WeakPolarHBondContact O-CB 3.39Å; C840-C844 PolarHBondContact O-N 3.33Å; C840-C844 PolarHBondContact O-SG 3.23Å; C840-C844 VanDerWaalsContact O-SG 3.37Å | ||
| 841 | P | 85.8 | Confident | 89.2 | Confident | 116 Ų | 116 | 69.3 Ų | 69.3 | 75% | 0.753 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.7 | -169.2 | -27.8 | 35.6 | 0 | 0 | 0 | 115.9 | S839 | S839-P841 WeakPolarHBondContact O-CD 3.35Š|
| 842 | L | 86.6 | Confident | 89.5 | Confident | 152 Ų | 152 | 70.2 Ų | 70.2 | 80% | 0.796 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -17.9 | 178.1 | -65.2 | 175.7 | 0 | 0 | 0 | 113.6 | C840 | C840-L842 PolarHBondContact O-N 3.3Š|
| 843 | L | 88.6 | Confident | 89.7 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -37.7 | -169.2 | -67.7 | -175.3 | 0 | 0 | 0 | 111.4 | C840 L846 F852 Q855 | C840-L843 HydrophobicContact CB-CB 4.26Å; C840-L843 PolarHBondContact O-N 3.34Å; L843-L846 WeakPolarHBondContact O-CB 3.22Å; L843-L846 PolarHBondContact O-N 2.86Å; L843-L846 VanDerWaalsContact O-N 3.16Å; L843-F852 HydrophobicContact CD2-CD2 3.43Å; L843-F852 VanDerWaalsContact CD2-CD2 3.43Å; L843-F852 HydrophobicContact CD2-CE2 3.9Å; L843-F852 HydrophobicContact CD2-CG 4.18Å; L843-Q855 HydrophobicContact CB-CB 4.16Å; L843-Q855 VanDerWaalsContact CB-OE1 3.3Å; L843-Q855 HydrophobicContact CD1-CB 3.89Å; L843-Q855 PolarHBondContact O-OE1 3.04Å |
| 844 | C | 86.8 | Confident | 90 | Very high | 17 Ų | 17 | 60 Ų | 60 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 148.2 | 175.3 | -71.4 | 0 | 0 | 0 | 0 | 111.5 | C840 L846 A872 | C840-C844 PolarHBondContact N-SG 3.21Å; C840-C844 WeakPolarHBondContact O-CB 3.39Å; C840-C844 PolarHBondContact O-N 3.33Å; C840-C844 PolarHBondContact O-SG 3.23Å; C840-C844 VanDerWaalsContact O-SG 3.37Å; C844-L846 PolarHBondContact O-N 3.42Å; C844-A872 CarbonylContact C-O 3.58Å; C844-A872 WeakPolarHBondContact CA-O 3.26Å |
| 845 | E | 86.9 | Confident | 90.3 | Very high | 113 Ų | 113 | 59 Ų | 59 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | -6 | -174.4 | -47.3 | -171.1 | 147.6 | 0 | 0 | 114.9 | H334 A872 | H334-E845 PolarHBondContact CE1-O 3.4Å; H334-E845 PolarHBondContact ND1-O 3.28Å; E845-A872 PolarHBondContact N-O 3.15Å |
| 846 | L | 92 | Very high | 90.6 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | trans | -108.4 | 130.5 | 174.9 | -51 | 177.9 | 0 | 0 | 0 | 110.1 | W335 L843 C844 E849 Q855 | W335-L846 HydrophobicContact CH2-CD1 4.39Å; W335-L846 HydrophobicContact CH2-CD2 3.73Å; W335-L846 HydrophobicContact CZ2-CD2 4.32Å; W335-L846 HydrophobicContact CZ3-CD2 4.31Å; L843-L846 WeakPolarHBondContact O-CB 3.22Å; L843-L846 PolarHBondContact O-N 2.86Å; L843-L846 VanDerWaalsContact O-N 3.16Å; C844-L846 PolarHBondContact O-N 3.42Å; L846-E849 HydrophobicContact CB-CG 4.27Å; L846-E849 HydrophobicContact CD2-CG 3.63Å; L846-E849 HydrophobicContact CG-CG 4.48Å; L846-Q855 PolarHBondContact O-NE2 2.65Å; L846-Q855 PolarHBondContact O-OE1 2.92Å | ||
| 847 | L | 93.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -126.3 | -68.7 | 173.8 | 175.4 | 62.1 | 0 | 0 | 0 | 110 | E305 E331 I341 A872 Y873 | E305-L847 HydrophobicContact CG-CD2 3.9Å; E331-L847 HydrophobicContact CG-CD2 4.48Å; I341-L847 WeakPolarHBondContact CD1-O 3.35Å; L847-A872 HydrophobicContact CB-CB 4.09Å; L847-Y873 HydrophobicContact CB-CE2 4.39Å; L847-Y873 HydrophobicContact CD2-CE2 4.29Å |
| 848 | Y | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -76.7 | -41.7 | -176.7 | -64.8 | -85.2 | 0 | 0 | 0 | 112.5 | E305 L310 Y327 E331 G339 I341 C372 S850 | E305-Y848 PolarHBondContact OE1-OH 3.17Å; L310-Y848 HydrophobicContact CD1-CD1 4.38Å; L310-Y848 HydrophobicContact CD1-CE1 3.7Å; Y327-Y848 PolarHBondContact OH-OH 2.84Å; E331-Y848 HydrophobicContact CB-CE2 4.02Å; G339-Y848 WeakPolarHBondContact CA-O 3.4Å; I341-Y848 HydrophobicContact CB-CD1 4.47Å; I341-Y848 HydrophobicContact CD1-CD1 4.43Å; I341-Y848 HydrophobicContact CG2-CD1 3.99Å; I341-Y848 HydrophobicContact CG2-CE1 4.48Å; C372-Y848 HydrophobicContact CB-CD1 4.38Å; C372-Y848 HydrophobicContact CB-CD2 3.71Å; C372-Y848 HydrophobicContact CB-CE2 4.18Å; C372-Y848 HydrophobicContact CB-CG 3.83Å; C372-Y848 VanDerWaalsContact O-CZ 3.31Å; C372-Y848 PolarHBondContact O-OH 3.11Å; C372-Y848 WeakPolarHBondContact SG-CB 3.48Å; Y848-S850 PolarHBondContact O-N 3.04Å |
| 849 | E | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -79.8 | 0.2 | -179 | 67.4 | -93.3 | -139.1 | 0 | 0 | 113.8 | T333 H334 W335 L846 | T333-E849 PolarHBondContact OG1-OE1 3.32Å; T333-E849 PolarHBondContact OG1-OE2 3.44Å; H334-E849 WeakPolarHBondContact CB-OE1 3.35Å; H334-E849 IonicContact CE1-OE1 3.16Å; H334-E849 IonicContact CG-OE1 2.71Å; H334-E849 PolarHBondContact N-OE1 3.35Å; H334-E849 IonicContact ND1-OE1 3.8Å; H334-E849 PolarHBondContact ND1-OE1 3.43Å; W335-E849 HydrophobicContact CD2-CB 4.38Å; W335-E849 HydrophobicContact CD2-CG 4.41Å; W335-E849 HydrophobicContact CH2-CG 4.29Å; W335-E849 HydrophobicContact CZ2-CB 4.06Å; W335-E849 HydrophobicContact CZ2-CG 3.81Å; L846-E849 HydrophobicContact CB-CG 4.27Å; L846-E849 HydrophobicContact CD2-CG 3.63Å; L846-E849 HydrophobicContact CG-CG 4.48Å |
| 850 | S | 94.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -68.7 | 143.6 | 177 | -173.3 | 0 | 0 | 0 | 0 | 111 | R340 Y848 F852 | R340-S850 WeakPolarHBondContact CB-O 3.23Å; R340-S850 PolarHBondContact N-O 3.36Å; Y848-S850 PolarHBondContact O-N 3.04Å; S850-F852 PolarHBondContact OG-N 3.16Å; S850-F852 VanDerWaalsContact OG-N 3.15Å; S850-F852 PolarHBondContact OG-O 2.95Å | ||
| 851 | E | 93 | Very high | 91.3 | Very high | 127 Ų | 127 | 57.8 Ų | 57.8 | 59% | 0.593 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -78.5 | -11.6 | 170.3 | -62.8 | -61.8 | 148.7 | 0 | 0 | 112.1 | ||
| 852 | F | 93.1 | Very high | 91.6 | Very high | 121 Ų | 121 | 61 Ų | 61 | 53% | 0.531 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -106 | 143.2 | 179.7 | -63.3 | -85.9 | 0 | 0 | 0 | 111.4 | L843 S850 S854 | L843-F852 HydrophobicContact CD2-CD2 3.43Å; L843-F852 VanDerWaalsContact CD2-CD2 3.43Å; L843-F852 HydrophobicContact CD2-CE2 3.9Å; L843-F852 HydrophobicContact CD2-CG 4.18Å; S850-F852 PolarHBondContact OG-N 3.16Å; S850-F852 VanDerWaalsContact OG-N 3.15Å; S850-F852 PolarHBondContact OG-O 2.95Å; F852-S854 VanDerWaalsContact C-N 3.27Å; F852-S854 PolarHBondContact O-N 3.16Å |
| 853 | D | 91.5 | Very high | 91.8 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -71.5 | -17.3 | 178.5 | -61 | -34.3 | 0 | 0 | 0 | 113.5 | G307 T308 I311 R340 | G307-D853 CarbonylContact C-O 3.52Å; G307-D853 WeakPolarHBondContact CA-O 3.33Å; T308-D853 PolarHBondContact N-O 3.3Å; I311-D853 HydrophobicContact CG1-CB 4.17Å; R340-D853 WeakPolarHBondContact CG-OD1 3.29Å; R340-D853 IonicContact NE-OD1 3.31Å |
| 854 | S | 91.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 66.4 Ų | 66.4 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | trans | -159.9 | 152.7 | -170 | -162.8 | 0 | 0 | 0 | 0 | 113.5 | T308 F852 | T308-S854 WeakPolarHBondContact OG1-CB 3.42Å; T308-S854 PolarHBondContact OG1-OG 2.93Å; F852-S854 VanDerWaalsContact C-N 3.27Å; F852-S854 PolarHBondContact O-N 3.16Å | ||
| 855 | Q | 91.9 | Very high | 91.8 | Very high | 29 Ų | 29 | 72.6 Ų | 72.6 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | trans | -155.5 | 18.7 | 176 | 66.2 | -157.8 | -0.6 | 0 | 0 | 113.6 | L843 L846 W857 D871 | L843-Q855 HydrophobicContact CB-CB 4.16Å; L843-Q855 VanDerWaalsContact CB-OE1 3.3Å; L843-Q855 HydrophobicContact CD1-CB 3.89Å; L843-Q855 PolarHBondContact O-OE1 3.04Å; L846-Q855 PolarHBondContact O-NE2 2.65Å; L846-Q855 PolarHBondContact O-OE1 2.92Å; Q855-W857 PolarHBondContact O-N 3.34Å; Q855-D871 WeakPolarHBondContact CG-OD1 3.35Å; Q855-D871 PolarHBondContact NE2-OD1 3.05Å | ||
| 856 | L | 92.2 | Very high | 91.8 | Very high | 53 Ų | 53 | 70.6 Ų | 70.6 | 28% | 0.277 | 33% | 0.333 | S | S | . | . | trans | -58.2 | 130.6 | 179.6 | -179.6 | 77.1 | 0 | 0 | 0 | 111.2 | L301 I858 G870 | L301-L856 HydrophobicContact CD1-CD1 3.83Å; L301-L856 HydrophobicContact CD2-CD1 4.03Å; L301-L856 HydrophobicContact CG-CD1 4.18Å; L856-I858 HydrophobicContact CD2-CD1 4.34Å; L856-I858 HydrophobicContact CD2-CG1 4.45Å; L856-I858 HydrophobicContact CG-CG1 4.46Å; L856-G870 WeakPolarHBondContact CA-O 3.33Å | ||
| 857 | W | 92.7 | Very high | 91.6 | Very high | 55 Ų | 55 | 74.7 Ų | 74.7 | 21% | 0.208 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 149.8 | 170.3 | 57.4 | -97 | 0 | 0 | 0 | 111.3 | P838 Q855 I859 S869 G870 P874 | P838-W857 HydrophobicContact CB-CD2 3.89Å; P838-W857 HydrophobicContact CB-CE3 4.22Å; P838-W857 HydrophobicContact CB-CG 4.31Å; P838-W857 HydrophobicContact CB-CZ2 4.17Å; P838-W857 HydrophobicContact CG-CD2 3.95Å; P838-W857 HydrophobicContact CG-CE3 3.76Å; P838-W857 HydrophobicContact CG-CH2 3.87Å; P838-W857 HydrophobicContact CG-CZ2 4.01Å; P838-W857 HydrophobicContact CG-CZ3 3.74Å; Q855-W857 PolarHBondContact O-N 3.34Å; W857-I859 HydrophobicContact CE3-CD1 4.31Å; W857-I859 HydrophobicContact CE3-CG1 3.92Å; W857-I859 HydrophobicContact CH2-CD1 4.47Å; W857-I859 HydrophobicContact CZ3-CD1 3.71Å; W857-I859 HydrophobicContact CZ3-CG1 3.75Å; W857-S869 VanDerWaalsContact CH2-C 3.5Å; W857-S869 VanDerWaalsContact CZ3-C 3.4Å; W857-S869 CarbonylContact O-C 3.58Å; W857-S869 WeakPolarHBondContact O-CA 3.41Å; W857-S869 WeakPolarHBondContact O-CB 3.3Å; W857-G870 VanDerWaalsContact CD1-O 3.27Å; W857-G870 PolarHBondContact N-O 2.78Å; W857-G870 VanDerWaalsContact NE1-C 3.3Å; W857-G870 PolarHBondContact NE1-O 3.49Å; W857-G870 PolarHBondContact O-N 2.89Å; W857-P874 HydrophobicContact CZ2-CB 4.24Å |
| 858 | I | 92.1 | Very high | 91.3 | Very high | 59 Ų | 59 | 75.7 Ų | 75.7 | 30% | 0.303 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 131.4 | 177.9 | -51 | 178.2 | 0 | 0 | 0 | 108.7 | L856 F860 Q866 | L856-I858 HydrophobicContact CD2-CD1 4.34Å; L856-I858 HydrophobicContact CD2-CG1 4.45Å; L856-I858 HydrophobicContact CG-CG1 4.46Å; I858-F860 HydrophobicContact CB-CE2 3.84Å; I858-F860 HydrophobicContact CB-CZ 4.1Å; I858-F860 HydrophobicContact CG2-CD2 4.24Å; I858-F860 HydrophobicContact CG2-CE1 4.03Å; I858-F860 HydrophobicContact CG2-CE2 3.57Å; I858-F860 HydrophobicContact CG2-CZ 3.45Å; I858-F860 VanDerWaalsContact CG2-CZ 3.45Å; I858-Q866 HydrophobicContact CG2-CG 3.72Å |
| 859 | I | 92.7 | Very high | 91.1 | Very high | 35 Ų | 35 | 76 Ų | 76 | 18% | 0.179 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.1 | 175.7 | -58.6 | 173.8 | 0 | 0 | 0 | 108.8 | P838 W857 M867 G868 | P838-I859 HydrophobicContact CG-CD1 3.67Å; P838-I859 HydrophobicContact CG-CG1 4.13Å; W857-I859 HydrophobicContact CE3-CD1 4.31Å; W857-I859 HydrophobicContact CE3-CG1 3.92Å; W857-I859 HydrophobicContact CH2-CD1 4.47Å; W857-I859 HydrophobicContact CZ3-CD1 3.71Å; W857-I859 HydrophobicContact CZ3-CG1 3.75Å; I859-M867 HydrophobicContact CB-CB 4.39Å; I859-M867 HydrophobicContact CG2-CB 4.09Å; I859-M867 PolarHBondContact O-N 2.73Å; I859-G868 PolarHBondContact N-O 3.07Å |
| 860 | F | 92.2 | Very high | 91 | Very high | 115 Ų | 115 | 76.2 Ų | 76.2 | 50% | 0.504 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.5 | 173.5 | -62.7 | -82 | 0 | 0 | 0 | 111 | I858 K864 R865 Q866 | I858-F860 HydrophobicContact CB-CE2 3.84Å; I858-F860 HydrophobicContact CB-CZ 4.1Å; I858-F860 HydrophobicContact CG2-CD2 4.24Å; I858-F860 HydrophobicContact CG2-CE1 4.03Å; I858-F860 HydrophobicContact CG2-CE2 3.57Å; I858-F860 HydrophobicContact CG2-CZ 3.45Å; I858-F860 VanDerWaalsContact CG2-CZ 3.45Å; F860-K864 WeakPolarHBondContact CD1-O 3.3Å; F860-R865 CarbonylContact C-O 3.59Å; F860-R865 VanDerWaalsContact CA-O 3.28Å; F860-R865 WeakPolarHBondContact CA-O 3.3Å; F860-Q866 HydrophobicContact CD1-CB 4.19Å; F860-Q866 HydrophobicContact CE1-CB 3.96Å |
| 861 | D | 91.1 | Very high | 90.9 | Very high | 51 Ų | 51 | 76.2 Ų | 76.2 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | trans | -80 | 178.1 | 166.5 | 81 | -2.4 | 0 | 0 | 0 | 111.7 | N863 K864 R865 M867 | D861-N863 PolarHBondContact O-N 2.74Å; D861-N863 VanDerWaalsContact O-N 3.16Å; D861-N863 VanDerWaalsContact OD1-C 3.27Å; D861-N863 VanDerWaalsContact OD1-CA 3.26Å; D861-N863 WeakPolarHBondContact OD1-CA 3.4Å; D861-N863 WeakPolarHBondContact OD1-CB 3.3Å; D861-N863 PolarHBondContact OD1-N 2.97Å; D861-N863 PolarHBondContact OD2-ND2 3.25Å; D861-K864 PolarHBondContact O-N 3.06Å; D861-K864 PolarHBondContact OD1-N 3.14Å; D861-K864 VanDerWaalsContact OD1-N 3.07Å; D861-R865 PolarHBondContact N-O 2.87Å; D861-R865 WeakPolarHBondContact OD1-CB 2.8Å; D861-R865 PolarHBondContact OD1-N 3.21Å; D861-M867 HydrophobicContact CB-CG 3.91Å; D861-M867 HydrophobicContact CB-SD 3.98Å | ||
| 862 | Q | 91.6 | Very high | 90.7 | Very high | 185 Ų | 185 | 70.2 Ų | 70.2 | 86% | 0.864 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.6 | 178.4 | 66.9 | -174.1 | 6.2 | 0 | 0 | 114.4 | K864 | Q862-K864 VanDerWaalsContact C-N 3.32Š|
| 863 | N | 91.6 | Very high | 90.4 | Very high | 121 Ų | 121 | 65.6 Ų | 65.6 | 65% | 0.647 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 9.2 | 176.8 | -53.7 | -55.8 | 0 | 0 | 0 | 112 | D861 R865 | D861-N863 PolarHBondContact O-N 2.74Å; D861-N863 VanDerWaalsContact O-N 3.16Å; D861-N863 VanDerWaalsContact OD1-C 3.27Å; D861-N863 VanDerWaalsContact OD1-CA 3.26Å; D861-N863 WeakPolarHBondContact OD1-CA 3.4Å; D861-N863 WeakPolarHBondContact OD1-CB 3.3Å; D861-N863 PolarHBondContact OD1-N 2.97Å; D861-N863 PolarHBondContact OD2-ND2 3.25Å; N863-R865 PolarHBondContact O-N 2.85Å |
| 864 | K | 89.3 | Confident | 89.6 | Confident | 177 Ų | 177 | 64.5 Ų | 64.5 | 77% | 0.77 | 31% | 0.314 | S | S | * | . | trans | 64.2 | 18.4 | -175 | -49.8 | 177.3 | -179.7 | 176.9 | 0 | 113.9 | F860 D861 Q862 | F860-K864 WeakPolarHBondContact CD1-O 3.3Å; D861-K864 PolarHBondContact O-N 3.06Å; D861-K864 PolarHBondContact OD1-N 3.14Å; D861-K864 VanDerWaalsContact OD1-N 3.07Å; Q862-K864 VanDerWaalsContact C-N 3.32Å | ||
| 865 | R | 85.8 | Confident | 88.5 | Confident | 148 Ų | 148 | 67.1 Ų | 67.1 | 56% | 0.558 | 32% | 0.32 | S | S | * | . | trans | -72.8 | 130.6 | 170.5 | -176.7 | -175.9 | 176.2 | 172.8 | 1.7 | 108.7 | F860 D861 N863 M867 | F860-R865 CarbonylContact C-O 3.59Å; F860-R865 VanDerWaalsContact CA-O 3.28Å; F860-R865 WeakPolarHBondContact CA-O 3.3Å; D861-R865 PolarHBondContact N-O 2.87Å; D861-R865 WeakPolarHBondContact OD1-CB 2.8Å; D861-R865 PolarHBondContact OD1-N 3.21Å; N863-R865 PolarHBondContact O-N 2.85Å; R865-M867 PolarHBondContact O-N 3.27Å | ||
| 866 | Q | 87.6 | Confident | 86.7 | Confident | 71 Ų | 71 | 67.6 Ų | 67.6 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 127.3 | 171.3 | 179.8 | 175.7 | -14.7 | 0 | 0 | 109.9 | I858 F860 | I858-Q866 HydrophobicContact CG2-CG 3.72Å; F860-Q866 HydrophobicContact CD1-CB 4.19Å; F860-Q866 HydrophobicContact CE1-CB 3.96Å |
| 867 | M | 87.1 | Confident | 84.3 | Confident | 117 Ų | 117 | 71.2 Ų | 71.2 | 58% | 0.576 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -27.7 | -179 | -62.5 | -58.3 | -63.9 | 0 | 0 | 112.6 | I859 D861 R865 | I859-M867 HydrophobicContact CB-CB 4.39Å; I859-M867 HydrophobicContact CG2-CB 4.09Å; I859-M867 PolarHBondContact O-N 2.73Å; D861-M867 HydrophobicContact CB-CG 3.91Å; D861-M867 HydrophobicContact CB-SD 3.98Å; R865-M867 PolarHBondContact O-N 3.27Å |
| 868 | G | 88.1 | Confident | 81.4 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.8 | 168.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I859 | I859-G868 PolarHBondContact N-O 3.07Å |
| 869 | S | 90.6 | Very high | 78.3 | Confident | 8 Ų | 8 | 83.1 Ų | 83.1 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 159.2 | 179.8 | 37.5 | 0 | 0 | 0 | 0 | 110 | R300 W857 | R300-S869 PolarHBondContact O-OG 3.19Å; W857-S869 VanDerWaalsContact CH2-C 3.5Å; W857-S869 VanDerWaalsContact CZ3-C 3.4Å; W857-S869 CarbonylContact O-C 3.58Å; W857-S869 WeakPolarHBondContact O-CA 3.41Å; W857-S869 WeakPolarHBondContact O-CB 3.3Å |
| 870 | G | 91.1 | Very high | 75.1 | Confident | 4 Ų | 4 | 87 Ų | 87 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 174.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L301 L856 W857 | L301-G870 VanDerWaalsContact CD2-CA 3.45Å; L856-G870 WeakPolarHBondContact CA-O 3.33Å; W857-G870 VanDerWaalsContact CD1-O 3.27Å; W857-G870 PolarHBondContact N-O 2.78Å; W857-G870 VanDerWaalsContact NE1-C 3.3Å; W857-G870 PolarHBondContact NE1-O 3.49Å; W857-G870 PolarHBondContact O-N 2.89Å |
| 871 | D | 91.9 | Very high | 71.9 | Confident | 5 Ų | 5 | 90.1 Ų | 90.1 | 3% | 0.027 | 42% | 0.416 | C | S | . | . | trans | -147.4 | -136.5 | -173.7 | -165.5 | -34.9 | 0 | 0 | 0 | 108.8 | L301 M304 T306 Q855 Y873 P874 | L301-D871 HydrophobicContact CD1-CB 3.68Å; M304-D871 HydrophobicContact CE-CB 3.7Å; T306-D871 WeakPolarHBondContact CG2-OD2 3.31Å; Q855-D871 WeakPolarHBondContact CG-OD1 3.35Å; Q855-D871 PolarHBondContact NE2-OD1 3.05Å; D871-Y873 VanDerWaalsContact C-N 3.26Å; D871-Y873 PolarHBondContact O-N 2.6Å; D871-Y873 VanDerWaalsContact O-N 3.13Å; D871-P874 WeakPolarHBondContact O-CD 3.3Å | ||
| 872 | A | 89.3 | Confident | 68.6 | Low | 0 Ų | 0 | 92.4 Ų | 92.4 | 0% | 0 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -51 | -41.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C844 E845 L847 P874 | C844-A872 CarbonylContact C-O 3.58Å; C844-A872 WeakPolarHBondContact CA-O 3.26Å; E845-A872 PolarHBondContact N-O 3.15Å; L847-A872 HydrophobicContact CB-CB 4.09Å; A872-P874 VanDerWaalsContact C-CD 3.42Å; A872-P874 WeakPolarHBondContact O-CD 3.38Å |
| 873 | Y | 87.3 | Confident | 65.3 | Low | 25 Ų | 25 | 91.8 Ų | 91.8 | 10% | 0.098 | 47% | 0.468 | C | S | . | . | trans | -117.8 | 69.3 | -170.9 | -49.9 | -62.4 | 0 | 0 | 0 | 111.2 | M304 E331 L847 D871 H875 Q876 | M304-Y873 HydrophobicContact SD-CD2 3.97Å; E331-Y873 HydrophobicContact CB-CE2 4.22Å; E331-Y873 HydrophobicContact CG-CE2 4Å; L847-Y873 HydrophobicContact CB-CE2 4.39Å; L847-Y873 HydrophobicContact CD2-CE2 4.29Å; D871-Y873 VanDerWaalsContact C-N 3.26Å; D871-Y873 PolarHBondContact O-N 2.6Å; D871-Y873 VanDerWaalsContact O-N 3.13Å; Y873-H875 PolarHBondContact O-N 3.45Å; Y873-Q876 VanDerWaalsContact CB-CD 3.49Å; Y873-Q876 HydrophobicContact CG-CG 4.35Å; Y873-Q876 PolarHBondContact O-N 2.96Å | ||
| 874 | P | 73 | Confident | 64 | Low | 15 Ų | 15 | 90.3 Ų | 90.3 | 10% | 0.097 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.8 | -174.1 | 29.7 | -37.3 | 0 | 0 | 0 | 113.3 | T837 P838 W857 D871 A872 | T837-P874 HydrophobicContact CG2-CB 3.84Å; P838-P874 VanDerWaalsContact O-CB 3.32Å; P838-P874 WeakPolarHBondContact O-CB 3.4Å; W857-P874 HydrophobicContact CZ2-CB 4.24Å; D871-P874 WeakPolarHBondContact O-CD 3.3Å; A872-P874 VanDerWaalsContact C-CD 3.42Å; A872-P874 WeakPolarHBondContact O-CD 3.38Å |
| 875 | H | 68.7 | Low | 62.7 | Low | 111 Ų | 111 | 85.7 Ų | 85.7 | 51% | 0.514 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -13.8 | 177 | -56.3 | -59.8 | 0 | 0 | 0 | 114.1 | Y873 | Y873-H875 PolarHBondContact O-N 3.45Š|
| 876 | Q | 55.8 | Low | 61.4 | Low | 39 Ų | 39 | 82.3 Ų | 82.3 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -82.1 | -10.6 | -174.6 | -81.5 | -176.1 | 5.6 | 0 | 0 | 114.5 | Y873 R878 R879 | Y873-Q876 VanDerWaalsContact CB-CD 3.49Å; Y873-Q876 HydrophobicContact CG-CG 4.35Å; Y873-Q876 PolarHBondContact O-N 2.96Å; Q876-R878 PolarHBondContact O-N 3.1Å; Q876-R879 PolarHBondContact O-N 2.73Å |
| 877 | E | 41.4 | Very low | 59.9 | Low | 129 Ų | 129 | 82.9 Ų | 82.9 | 60% | 0.603 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -55.8 | -13.2 | 174.1 | -66.5 | -152.6 | 146.9 | 0 | 0 | 113.4 | ||
| 878 | R | 31.7 | Very low | 58.2 | Low | 162 Ų | 162 | 80.8 Ų | 80.8 | 61% | 0.611 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -90.5 | -14.4 | 174.6 | -56.5 | -171.7 | -157.3 | -173 | 8.3 | 115.7 | E835 Q876 | E835-R878 IonicContact OE1-CZ 3.98Å; E835-R878 VanDerWaalsContact OE1-CZ 3.28Å; E835-R878 IonicContact OE1-NE 3.21Å; E835-R878 PolarHBondContact OE1-NE 2.96Å; E835-R878 IonicContact OE1-NH2 3.65Å; E835-R878 PolarHBondContact OE1-NH2 3.4Å; E835-R878 IonicContact OE2-CZ 3.77Å; E835-R878 IonicContact OE2-NH1 3.64Å; E835-R878 IonicContact OE2-NH2 3.18Å; E835-R878 PolarHBondContact OE2-NH2 3.38Å; Q876-R878 PolarHBondContact O-N 3.1Å |
| 879 | R | 26.2 | Very low | 56.2 | Low | 202 Ų | 202 | 84.5 Ų | 84.5 | 76% | 0.762 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -24.5 | -166 | -80.8 | -172.9 | 175.6 | -176 | -0.9 | 116.2 | Q876 Q881 | Q876-R879 PolarHBondContact O-N 2.73Å; R879-Q881 PolarHBondContact O-N 2.75Å |
| 880 | N | 26.3 | Very low | 53.7 | Low | 118 Ų | 118 | 90 Ų | 90 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 31.4 | -171.5 | -72.9 | -4.3 | 0 | 0 | 0 | 115.4 | ||
| 881 | Q | 23.7 | Very low | 50.8 | Low | 180 Ų | 180 | 96.6 Ų | 96.6 | 84% | 0.841 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 8.2 | 175 | -70.4 | -169.6 | 5.1 | 0 | 0 | 114.2 | R879 | R879-Q881 PolarHBondContact O-N 2.75Š|
| 882 | A | 22.2 | Very low | 47.4 | Very low | 99 Ų | 99 | 104.3 Ų | 104.3 | 82% | 0.818 | 55% | 0.548 | S | S | * | . | trans | -136.8 | 76.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 883 | A | 23.5 | Very low | 43.6 | Very low | 171 Ų | 171 | 113.7 Ų | 113.7 | 100% | 1.413 | 60% | 0.597 | S | S | * | * | trans | -124.6 | 0 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 883 of 883 residues in 1495 ms
(Link to these results)