| 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 | 38.3 | Very low | 78.7 | Confident | 240 Ų | 240 | 69.2 Ų | 69.2 | 100% | 1.182 | 35% | 0.354 | S | S | * | . | 0 | 117.4 | 0 | -69.9 | -175.3 | -123.7 | 0 | 0 | 105.9 | E3 | M1-E3 PolarHBondContact O-N 3.2Š| |||
| 2 | A | 48.8 | Very low | 79.2 | Confident | 70 Ų | 70 | 75 Ų | 75 | 58% | 0.579 | 39% | 0.386 | S | S | * | . | trans | -63.4 | 127.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | E4 | A2-E4 WeakPolarHBondContact O-CG 3.4Å; A2-E4 PolarHBondContact O-N 2.74Å; A2-E4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | E | 61.8 | Low | 79.9 | Confident | 99 Ų | 99 | 71.3 Ų | 71.3 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | trans | -63.5 | 111.4 | 171.7 | -70.3 | -177.9 | 148 | 0 | 0 | 108.2 | M1 R360 P363 | M1-E3 PolarHBondContact O-N 3.2Å; E3-R360 IonicContact OE1-CZ 3.81Å; E3-R360 IonicContact OE1-NH2 2.69Å; E3-R360 PolarHBondContact OE1-NH2 2.97Å; E3-R360 IonicContact OE2-CZ 3.32Å; E3-R360 IonicContact OE2-NE 2.67Å; E3-R360 IonicContact OE2-NH2 3.62Å; E3-R360 PolarHBondContact OE2-NH2 3.34Å; E3-P363 HydrophobicContact CB-CG 4.22Å; E3-P363 VanDerWaalsContact O-CB 3.32Å; E3-P363 WeakPolarHBondContact O-CB 3.37Å | ||
| 4 | E | 79.4 | Confident | 80.5 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 45% | 0.453 | 35% | 0.35 | S | S | . | . | trans | -86.9 | -7.3 | -174.7 | -58.7 | -166.2 | 166.2 | 0 | 0 | 113.5 | A2 R308 | A2-E4 WeakPolarHBondContact O-CG 3.4Å; A2-E4 PolarHBondContact O-N 2.74Å; A2-E4 VanDerWaalsContact O-N 3.1Å; E4-R308 IonicContact OE2-CZ 3.53Å; E4-R308 IonicContact OE2-NH1 2.83Å; E4-R308 PolarHBondContact OE2-NH1 3.35Å; E4-R308 IonicContact OE2-NH2 3.94Å; E4-R308 PolarHBondContact OE2-NH2 3.44Å | ||
| 5 | H | 89 | Confident | 81.1 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | trans | -102.2 | 116.6 | -170.7 | -59.9 | -80 | 0 | 0 | 0 | 111.7 | S309 H311 P363 | H5-S309 PolarHBondContact ND1-O 3.32Å; H5-H311 HydrophobicContact CB-CB 3.91Å; H5-P363 WeakPolarHBondContact O-CG 3.22Å | ||
| 6 | Y | 91.4 | Very high | 81.5 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | trans | -96.5 | 1.2 | 179.5 | 55.3 | -103.8 | 0 | 0 | 0 | 114 | S284 I286 L305 P306 R308 V359 R360 L367 | Y6-S284 PolarHBondContact OH-O 3.36Å; Y6-I286 HydrophobicContact CD2-CD1 3.26Å; Y6-I286 HydrophobicContact CD2-CG1 4.16Å; Y6-I286 HydrophobicContact CE2-CB 4.47Å; Y6-I286 HydrophobicContact CE2-CD1 3.24Å; Y6-I286 HydrophobicContact CE2-CG1 3.6Å; Y6-I286 HydrophobicContact CG-CD1 4.44Å; Y6-L305 HydrophobicContact CD1-CB 4.29Å; Y6-L305 HydrophobicContact CD1-CD1 3.78Å; Y6-L305 HydrophobicContact CD2-CD1 4.02Å; Y6-L305 HydrophobicContact CE1-CB 3.82Å; Y6-L305 HydrophobicContact CE1-CD1 4.1Å; Y6-L305 HydrophobicContact CE2-CD1 4.42Å; Y6-L305 HydrophobicContact CG-CD1 3.7Å; Y6-P306 WeakPolarHBondContact CE1-O 3.19Å; Y6-P306 PolarHBondContact OH-O 3Å; Y6-R308 HydrophobicContact CD1-CB 4.14Å; Y6-R308 HydrophobicContact CD1-CG 4.06Å; Y6-R308 HydrophobicContact CE1-CB 3.51Å; Y6-R308 HydrophobicContact CE1-CG 3.48Å; Y6-R308 VanDerWaalsContact CE1-CG 3.48Å; Y6-R308 PolarHBondContact OH-N 3.03Å; Y6-V359 WeakPolarHBondContact O-CA 3.39Å; Y6-R360 PolarHBondContact O-N 3.41Å; Y6-L367 HydrophobicContact CD1-CD1 3.57Å; Y6-L367 HydrophobicContact CE1-CD1 4.23Å | ||
| 7 | L | 94.1 | Very high | 81.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 140.6 | 173.7 | -72.2 | 169.1 | 0 | 0 | 0 | 109.3 | V275 I286 I310 H311 L357 Q358 V359 | L7-V275 HydrophobicContact CD1-CG1 3.58Å; L7-V275 HydrophobicContact CD2-CG1 4.47Å; L7-V275 HydrophobicContact CD2-CG2 4.23Å; L7-I286 HydrophobicContact CD1-CD1 4.41Å; L7-I286 HydrophobicContact CD2-CD1 3.98Å; L7-I286 HydrophobicContact CG-CD1 4.14Å; L7-I310 HydrophobicContact CB-CG1 4.13Å; L7-I310 HydrophobicContact CD1-CG1 4.4Å; L7-H311 WeakPolarHBondContact O-CB 3.1Å; L7-H311 PolarHBondContact O-N 3.19Å; L7-L357 HydrophobicContact CB-CD1 4.33Å; L7-L357 HydrophobicContact CD2-CD1 4.36Å; L7-L357 HydrophobicContact CD2-CD2 4.32Å; L7-L357 HydrophobicContact CD2-CG 4.26Å; L7-Q358 WeakPolarHBondContact CA-O 3.44Å; L7-V359 HydrophobicContact CD2-CG2 3.83Å |
| 8 | E | 93.8 | Very high | 82 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 158.7 | 173.6 | 70.6 | -170.3 | 160.9 | 0 | 0 | 111.6 | H311 Q358 R360 | E8-H311 HydrophobicContact CB-CB 3.91Å; E8-Q358 HydrophobicContact CG-CB 4.1Å; E8-Q358 PolarHBondContact N-O 3.48Å; E8-Q358 PolarHBondContact O-N 2.97Å; E8-R360 HydrophobicContact CB-CG 4.39Å; E8-R360 VanDerWaalsContact CD-CD 3.42Å; E8-R360 HydrophobicContact CG-CG 3.89Å; E8-R360 VanDerWaalsContact OE1-CG 3.22Å; E8-R360 WeakPolarHBondContact OE1-CG 3.46Å; E8-R360 WeakPolarHBondContact OE2-CD 3.24Å; E8-R360 IonicContact OE2-CZ 2.68Å; E8-R360 IonicContact OE2-NE 3.79Å; E8-R360 IonicContact OE2-NH1 3.89Å; E8-R360 PolarHBondContact OE2-NH1 2.92Å |
| 9 | L | 92.7 | Very high | 82.2 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 144.6 | 169.1 | -58.4 | -178.9 | 0 | 0 | 0 | 108.6 | E11 I310 Y313 L333 I346 W355 L357 | L9-E11 PolarHBondContact O-N 3.3Å; L9-I310 HydrophobicContact CD2-CG2 4.16Å; L9-I310 HydrophobicContact CG-CG2 3.97Å; L9-Y313 HydrophobicContact CB-CD2 3.88Å; L9-Y313 HydrophobicContact CB-CE2 4.42Å; L9-Y313 HydrophobicContact CB-CG 4.31Å; L9-Y313 HydrophobicContact CD1-CG 4.17Å; L9-L333 HydrophobicContact CD1-CD2 3.98Å; L9-I346 HydrophobicContact CD2-CD1 3.98Å; L9-W355 HydrophobicContact CB-CB 4.06Å; L9-W355 HydrophobicContact CB-CG 4.01Å; L9-W355 HydrophobicContact CD1-CB 4.33Å; L9-W355 HydrophobicContact CD1-CD2 3.97Å; L9-W355 HydrophobicContact CD1-CG 3.87Å; L9-W355 HydrophobicContact CD2-CB 4.03Å; L9-W355 HydrophobicContact CD2-CG 4.45Å; L9-W355 HydrophobicContact CG-CB 4.36Å; L9-W355 HydrophobicContact CG-CG 4.32Å; L9-L357 HydrophobicContact CD2-CD1 4.14Å |
| 10 | S | 90.9 | Very high | 82.4 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | trans | -49.5 | 133.9 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | N12 Y313 Y356 | S10-N12 VanDerWaalsContact C-N 3.26Å; S10-N12 PolarHBondContact O-N 2.97Å; S10-Y313 WeakPolarHBondContact O-CE2 3.46Å; S10-Y356 WeakPolarHBondContact CB-O 3.46Å; S10-Y356 PolarHBondContact N-O 3.48Å; S10-Y356 PolarHBondContact OG-N 3.28Å; S10-Y356 VanDerWaalsContact OG-N 3.07Å | ||
| 11 | E | 85.2 | Confident | 82.3 | Confident | 150 Ų | 150 | 68 Ų | 68 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -56.9 | -39.5 | -178.5 | -65.1 | -172.9 | 159.8 | 0 | 0 | 112.6 | L9 P13 Y313 | L9-E11 PolarHBondContact O-N 3.3Å; E11-P13 WeakPolarHBondContact O-CD 3.33Å; E11-Y313 PolarHBondContact O-OH 3.07Å |
| 12 | N | 85.3 | Confident | 84.4 | Confident | 139 Ų | 139 | 59.7 Ų | 59.7 | 74% | 0.743 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -106.1 | 92.6 | -179.5 | -61.2 | -46.5 | 0 | 0 | 0 | 110.8 | S10 | S10-N12 VanDerWaalsContact C-N 3.26Å; S10-N12 PolarHBondContact O-N 2.97Å |
| 13 | P | 87.9 | Confident | 86.1 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | trans | -77.5 | 153.6 | 177.2 | 30.4 | -34.7 | 0 | 0 | 0 | 111.7 | E11 Q15 Y313 Y353 L354 W355 | E11-P13 WeakPolarHBondContact O-CD 3.33Å; P13-Q15 PolarHBondContact O-N 2.93Å; P13-Y313 WeakPolarHBondContact CD-OH 3.45Å; P13-Y313 WeakPolarHBondContact CG-OH 3.48Å; P13-Y353 HydrophobicContact CB-CD1 4.18Å; P13-Y353 HydrophobicContact CG-CD1 4.01Å; P13-L354 CarbonylContact C-O 3.58Å; P13-L354 WeakPolarHBondContact CA-O 3.41Å; P13-L354 WeakPolarHBondContact CB-O 3.44Å; P13-W355 HydrophobicContact CB-CG 4.23Å | ||
| 14 | V | 88.7 | Confident | 87.4 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 9% | 0.085 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 109.3 | 169.3 | -178.6 | 0 | 0 | 0 | 0 | 108 | K48 G49 L354 | V14-K48 HydrophobicContact CG1-CB 3.66Å; V14-G49 WeakPolarHBondContact CG2-O 3.47Å; V14-L354 HydrophobicContact CB-CB 4.2Å; V14-L354 HydrophobicContact CB-CD2 4.34Å; V14-L354 HydrophobicContact CG2-CD2 4.2Å; V14-L354 PolarHBondContact N-O 3.22Å; V14-L354 PolarHBondContact O-N 2.97Å |
| 15 | Q | 88.6 | Confident | 87.9 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.8 | 178.1 | -173 | -177.5 | 18.8 | 0 | 0 | 110.7 | P13 K48 G352 Y353 | P13-Q15 PolarHBondContact O-N 2.93Å; Q15-K48 WeakPolarHBondContact O-CD 3.35Å; Q15-K48 WeakPolarHBondContact O-CE 3.19Å; Q15-K48 PolarHBondContact O-NZ 3.46Å; Q15-G352 CarbonylContact C-O 3.6Å; Q15-G352 WeakPolarHBondContact CA-O 3.31Å; Q15-Y353 HydrophobicContact CB-CD1 4.25Å; Q15-Y353 HydrophobicContact CB-CE1 4.08Å; Q15-Y353 HydrophobicContact CG-CD1 4.26Å; Q15-Y353 HydrophobicContact CG-CE1 3.76Å; Q15-Y353 PolarHBondContact NE2-OH 3.39Å |
| 16 | F | 88.9 | Confident | 88.1 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | trans | -131.9 | 170.1 | 178.5 | 60 | -92.2 | 0 | 0 | 0 | 111.6 | H18 V25 V34 K48 I347 G352 Y353 L354 | F16-H18 PolarHBondContact O-N 3.21Å; F16-V25 HydrophobicContact CD2-CG1 4.13Å; F16-V25 HydrophobicContact CD2-CG2 4.18Å; F16-V25 HydrophobicContact CE2-CB 4.34Å; F16-V25 HydrophobicContact CE2-CG1 3.56Å; F16-V25 HydrophobicContact CE2-CG2 3.84Å; F16-V25 HydrophobicContact CZ-CG1 4.11Å; F16-V34 HydrophobicContact CB-CG1 4.41Å; F16-V34 HydrophobicContact CD1-CB 4.22Å; F16-V34 HydrophobicContact CD1-CG1 3.82Å; F16-V34 HydrophobicContact CD1-CG2 4.28Å; F16-V34 HydrophobicContact CD2-CG1 3.87Å; F16-V34 HydrophobicContact CE1-CG1 3.99Å; F16-V34 HydrophobicContact CE1-CG2 4.23Å; F16-V34 HydrophobicContact CE2-CG1 4.08Å; F16-V34 HydrophobicContact CG-CB 4.47Å; F16-V34 HydrophobicContact CG-CG1 3.77Å; F16-V34 HydrophobicContact CZ-CG1 4.14Å; F16-K48 HydrophobicContact CB-CD 4.28Å; F16-I347 HydrophobicContact CE1-CG2 4.08Å; F16-I347 HydrophobicContact CZ-CG2 3.75Å; F16-G352 PolarHBondContact N-O 3.06Å; F16-G352 WeakPolarHBondContact O-CA 3.03Å; F16-Y353 VanDerWaalsContact CE1-C 3.41Å; F16-L354 HydrophobicContact CE1-CB 4.12Å | ||
| 17 | E | 86 | Confident | 88.1 | Confident | 80 Ų | 80 | 51.6 Ų | 51.6 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 122.3 | 178 | -169 | 175.8 | 175.2 | 0 | 0 | 109.7 | N23 A36 | E17-N23 PolarHBondContact O-ND2 3.32Å; E17-A36 HydrophobicContact CB-CB 4.06Å |
| 18 | H | 85.1 | Confident | 88 | Confident | 100 Ų | 100 | 51.6 Ų | 51.6 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 151.5 | -174.6 | 63 | -87.2 | 0 | 0 | 0 | 112.6 | F16 S20 N23 S350 | F16-H18 PolarHBondContact O-N 3.21Å; H18-S20 PolarHBondContact O-N 3.24Å; H18-N23 PolarHBondContact O-ND2 3.25Å; H18-S350 WeakPolarHBondContact CB-O 3.32Å |
| 19 | A | 85.8 | Confident | 87.8 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 128.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | N23 V25 A349 | A19-N23 WeakPolarHBondContact CA-O 3.27Å; A19-V25 HydrophobicContact CB-CG2 3.87Å; A19-A349 HydrophobicContact CB-CB 4.09Å; A19-A349 WeakPolarHBondContact CB-O 3.43Å; A19-A349 PolarHBondContact N-O 3.02Å |
| 20 | S | 85.6 | Confident | 87.6 | Confident | 45 Ų | 45 | 53 Ų | 53 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -142.4 | 179.9 | 179.3 | 70.3 | 0 | 0 | 0 | 0 | 110 | H18 V22 N23 | H18-S20 PolarHBondContact O-N 3.24Å; S20-V22 PolarHBondContact O-N 2.94Å; S20-V22 WeakPolarHBondContact OG-CG2 3.29Å; S20-V22 PolarHBondContact OG-N 3.46Å; S20-N23 PolarHBondContact N-O 3.47Å; S20-N23 PolarHBondContact O-N 3.41Å; S20-N23 VanDerWaalsContact O-O 3.07Å; S20-N23 PolarHBondContact OG-N 2.96Å |
| 21 | S | 80.9 | Confident | 87.5 | Confident | 127 Ų | 127 | 54 Ų | 54 | 89% | 0.888 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.5 | 176.4 | 54.1 | 0 | 0 | 0 | 0 | 114 | ||
| 22 | V | 82.2 | Confident | 87.8 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 39% | 0.394 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -6.8 | -179 | -64.4 | 0 | 0 | 0 | 0 | 113.3 | S20 R38 S39 | S20-V22 PolarHBondContact O-N 2.94Å; S20-V22 WeakPolarHBondContact OG-CG2 3.29Å; S20-V22 PolarHBondContact OG-N 3.46Å; V22-R38 CarbonylContact O-C 3.48Å; V22-R38 WeakPolarHBondContact O-CA 3.36Å; V22-S39 PolarHBondContact O-N 3.36Å |
| 23 | N | 84.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 117.9 | -177.8 | -177 | 45.5 | 0 | 0 | 0 | 110.8 | E17 H18 A19 S20 V37 | E17-N23 PolarHBondContact O-ND2 3.32Å; H18-N23 PolarHBondContact O-ND2 3.25Å; A19-N23 WeakPolarHBondContact CA-O 3.27Å; S20-N23 PolarHBondContact N-O 3.47Å; S20-N23 PolarHBondContact O-N 3.41Å; S20-N23 VanDerWaalsContact O-O 3.07Å; S20-N23 PolarHBondContact OG-N 2.96Å; N23-V37 WeakPolarHBondContact CA-O 3.4Å; N23-V37 VanDerWaalsContact OD1-C 3.29Å; N23-V37 PolarHBondContact OD1-N 3.21Å; N23-V37 PolarHBondContact OD1-O 2.93Å |
| 24 | N | 88.4 | Confident | 88.3 | Confident | 52 Ų | 52 | 43 Ų | 43 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138.7 | 178 | -72.2 | -29.8 | 0 | 0 | 0 | 110.3 | F26 V37 | N24-F26 HydrophobicContact CB-CE2 3.66Å; N24-F26 HydrophobicContact CB-CZ 3.88Å; N24-V37 PolarHBondContact N-O 3.09Å; N24-V37 PolarHBondContact O-N 3.09Å |
| 25 | V | 91 | Very high | 88.5 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.1 | -177.2 | -180 | 0 | 0 | 0 | 0 | 109.8 | F16 A19 V34 F35 | F16-V25 HydrophobicContact CD2-CG1 4.13Å; F16-V25 HydrophobicContact CD2-CG2 4.18Å; F16-V25 HydrophobicContact CE2-CB 4.34Å; F16-V25 HydrophobicContact CE2-CG1 3.56Å; F16-V25 HydrophobicContact CE2-CG2 3.84Å; F16-V25 HydrophobicContact CZ-CG1 4.11Å; A19-V25 HydrophobicContact CB-CG2 3.87Å; V25-V34 HydrophobicContact CG1-CG1 3.54Å; V25-F35 CarbonylContact C-O 3.52Å; V25-F35 VanDerWaalsContact CA-O 3.28Å; V25-F35 WeakPolarHBondContact CA-O 3.44Å |
| 26 | F | 92.4 | Very high | 88.6 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 153.1 | 176.4 | -52.9 | -90.1 | 0 | 0 | 0 | 110.6 | N24 V34 F35 V37 V66 K67 I69 | N24-F26 HydrophobicContact CB-CE2 3.66Å; N24-F26 HydrophobicContact CB-CZ 3.88Å; F26-V34 CarbonylContact O-C 3.55Å; F26-V34 WeakPolarHBondContact O-CA 3.48Å; F26-F35 HydrophobicContact CB-CB 4.21Å; F26-F35 PolarHBondContact N-O 3.38Å; F26-F35 PolarHBondContact O-N 3.41Å; F26-V37 HydrophobicContact CD2-CB 4.48Å; F26-V37 HydrophobicContact CD2-CG2 3.8Å; F26-V37 HydrophobicContact CE2-CB 4.08Å; F26-V37 HydrophobicContact CE2-CG2 3.8Å; F26-V66 HydrophobicContact CE2-CB 4.37Å; F26-V66 HydrophobicContact CE2-CG1 4.08Å; F26-V66 HydrophobicContact CZ-CB 4.21Å; F26-V66 HydrophobicContact CZ-CG1 3.99Å; F26-V66 WeakPolarHBondContact CZ-O 3.09Å; F26-K67 WeakPolarHBondContact CE1-O 3.22Å; F26-I69 HydrophobicContact CB-CG2 3.74Å; F26-I69 HydrophobicContact CD1-CG2 4.39Å; F26-I69 HydrophobicContact CD2-CG2 3.47Å; F26-I69 VanDerWaalsContact CD2-CG2 3.47Å; F26-I69 HydrophobicContact CE2-CG2 4.19Å; F26-I69 HydrophobicContact CG-CG2 3.6Å |
| 27 | F | 92.3 | Very high | 88.6 | Confident | 23 Ų | 23 | 38 Ų | 38 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.4 | 177.9 | -177.8 | -115.3 | 0 | 0 | 0 | 110.9 | E29 Q33 V34 F341 I345 I347 L354 | F27-E29 HydrophobicContact CD1-CG 3.86Å; F27-E29 HydrophobicContact CE1-CB 4.24Å; F27-E29 HydrophobicContact CE1-CG 3.85Å; F27-Q33 VanDerWaalsContact CD2-O 3.22Å; F27-Q33 WeakPolarHBondContact CD2-O 3.46Å; F27-V34 HydrophobicContact CD2-CG2 3.96Å; F27-F341 HydrophobicContact CB-CE2 4.38Å; F27-F341 HydrophobicContact CB-CZ 4.28Å; F27-F341 HydrophobicContact CD1-CB 4.11Å; F27-F341 AromaticContact CD1-CD1 3.62Å; F27-F341 HydrophobicContact CD1-CD1 3.62Å; F27-F341 AromaticContact CD1-CD2 3.83Å; F27-F341 HydrophobicContact CD1-CD2 3.83Å; F27-F341 AromaticContact CD1-CE1 3.91Å; F27-F341 HydrophobicContact CD1-CE1 3.91Å; F27-F341 HydrophobicContact CD1-CE2 4.1Å; F27-F341 AromaticContact CD1-CG 3.57Å; F27-F341 HydrophobicContact CD1-CG 3.57Å; F27-F341 HydrophobicContact CD1-CZ 4.14Å; F27-F341 HydrophobicContact CE1-CB 3.68Å; F27-F341 AromaticContact CE1-CD1 3.99Å; F27-F341 HydrophobicContact CE1-CD1 3.99Å; F27-F341 HydrophobicContact CE1-CD2 4.18Å; F27-F341 AromaticContact CE1-CG 3.69Å; F27-F341 HydrophobicContact CE1-CG 3.69Å; F27-F341 HydrophobicContact CG-CD2 4.41Å; F27-F341 HydrophobicContact CG-CE2 4.41Å; F27-I345 HydrophobicContact CE1-CD1 4.37Å; F27-I345 HydrophobicContact CE2-CD1 4.34Å; F27-I345 HydrophobicContact CE2-CG2 4.47Å; F27-I345 HydrophobicContact CZ-CD1 3.56Å; F27-I345 HydrophobicContact CZ-CG2 4.21Å; F27-I347 HydrophobicContact CB-CD1 3.93Å; F27-I347 HydrophobicContact CD1-CD1 4.19Å; F27-I347 HydrophobicContact CD2-CD1 3.46Å; F27-I347 VanDerWaalsContact CD2-CD1 3.46Å; F27-I347 HydrophobicContact CE2-CD1 4Å; F27-I347 HydrophobicContact CG-CD1 3.58Å; F27-L354 HydrophobicContact CD2-CD1 4.3Å; F27-L354 HydrophobicContact CE2-CD1 3.9Å |
| 28 | D | 91.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 101 | 172.5 | -178.4 | -2.4 | 0 | 0 | 0 | 109.4 | A30 N31 K32 Q33 F35 K70 F71 | D28-A30 PolarHBondContact O-N 3.5Å; D28-A30 PolarHBondContact OD1-N 3.05Å; D28-N31 PolarHBondContact OD1-N 3.31Å; D28-N31 PolarHBondContact OD2-ND2 2.89Å; D28-K32 WeakPolarHBondContact O-CA 3.27Å; D28-K32 PolarHBondContact O-N 2.71Å; D28-Q33 PolarHBondContact N-O 3.21Å; D28-Q33 PolarHBondContact O-N 2.99Å; D28-F35 HydrophobicContact CB-CD2 4.4Å; D28-F35 HydrophobicContact CB-CE2 3.68Å; D28-K70 HydrophobicContact CB-CB 4.33Å; D28-K70 HydrophobicContact CB-CG 4.23Å; D28-F71 PolarHBondContact OD2-N 3.48Å |
| 29 | E | 89.3 | Confident | 88.1 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 21% | 0.206 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.4 | -179.9 | -58.4 | 173.3 | 156 | 0 | 0 | 113.2 | F27 P160 F341 | F27-E29 HydrophobicContact CD1-CG 3.86Å; F27-E29 HydrophobicContact CE1-CB 4.24Å; F27-E29 HydrophobicContact CE1-CG 3.85Å; E29-P160 HydrophobicContact CB-CG 4.13Å; E29-F341 HydrophobicContact CG-CD1 4.3Å |
| 30 | A | 88.4 | Confident | 87 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -43.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D28 Y158 P160 | D28-A30 PolarHBondContact O-N 3.5Å; D28-A30 PolarHBondContact OD1-N 3.05Å; A30-Y158 HydrophobicContact CB-CE1 4.42Å; A30-P160 HydrophobicContact CB-CB 4.18Å; A30-P160 HydrophobicContact CB-CG 4.33Å |
| 31 | N | 89.9 | Confident | 86 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 16% | 0.16 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -5.7 | 178.1 | -63.1 | -58.9 | 0 | 0 | 0 | 113.4 | D28 Q33 F71 | D28-N31 PolarHBondContact OD1-N 3.31Å; D28-N31 PolarHBondContact OD2-ND2 2.89Å; N31-Q33 VanDerWaalsContact C-N 3.33Å; N31-Q33 HydrophobicContact CB-CB 4.49Å; N31-Q33 HydrophobicContact CB-CG 4.02Å; N31-Q33 PolarHBondContact O-N 3.28Å; N31-F71 PolarHBondContact ND2-O 2.95Å |
| 32 | K | 90.8 | Very high | 85.2 | Confident | 74 Ų | 74 | 37.5 Ų | 37.5 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 44 | -173.6 | -56.6 | -179.1 | 173.7 | -165.8 | 0 | 112.7 | D28 I345 | D28-K32 WeakPolarHBondContact O-CA 3.27Å; D28-K32 PolarHBondContact O-N 2.71Å; K32-I345 HydrophobicContact CB-CD1 4.15Å; K32-I345 HydrophobicContact CD-CD1 4.05Å; K32-I345 HydrophobicContact CG-CD1 3.97Å |
| 33 | Q | 91.3 | Very high | 85.1 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 147.1 | -176 | -72.5 | 166.6 | -1.8 | 0 | 0 | 111.6 | F27 D28 N31 F35 V47 K48 N75 | F27-Q33 VanDerWaalsContact CD2-O 3.22Å; F27-Q33 WeakPolarHBondContact CD2-O 3.46Å; D28-Q33 PolarHBondContact N-O 3.21Å; D28-Q33 PolarHBondContact O-N 2.99Å; N31-Q33 VanDerWaalsContact C-N 3.33Å; N31-Q33 HydrophobicContact CB-CB 4.49Å; N31-Q33 HydrophobicContact CB-CG 4.02Å; N31-Q33 PolarHBondContact O-N 3.28Å; Q33-F35 HydrophobicContact CB-CE2 4.21Å; Q33-V47 HydrophobicContact CB-CG1 3.92Å; Q33-V47 HydrophobicContact CG-CG1 4.26Å; Q33-K48 CarbonylContact C-O 3.58Å; Q33-K48 WeakPolarHBondContact CA-O 3.33Å; Q33-N75 PolarHBondContact NE2-ND2 2.92Å; Q33-N75 VanDerWaalsContact NE2-ND2 3.12Å; Q33-N75 PolarHBondContact NE2-OD1 3.45Å; Q33-N75 VanDerWaalsContact NE2-OD1 3.08Å; Q33-N75 PolarHBondContact OE1-OD1 2.9Å |
| 34 | V | 92.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 135.8 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | F16 V25 F26 F27 V47 K48 I347 L354 | F16-V34 HydrophobicContact CB-CG1 4.41Å; F16-V34 HydrophobicContact CD1-CB 4.22Å; F16-V34 HydrophobicContact CD1-CG1 3.82Å; F16-V34 HydrophobicContact CD1-CG2 4.28Å; F16-V34 HydrophobicContact CD2-CG1 3.87Å; F16-V34 HydrophobicContact CE1-CG1 3.99Å; F16-V34 HydrophobicContact CE1-CG2 4.23Å; F16-V34 HydrophobicContact CE2-CG1 4.08Å; F16-V34 HydrophobicContact CG-CB 4.47Å; F16-V34 HydrophobicContact CG-CG1 3.77Å; F16-V34 HydrophobicContact CZ-CG1 4.14Å; V25-V34 HydrophobicContact CG1-CG1 3.54Å; F26-V34 CarbonylContact O-C 3.55Å; F26-V34 WeakPolarHBondContact O-CA 3.48Å; F27-V34 HydrophobicContact CD2-CG2 3.96Å; V34-V47 WeakPolarHBondContact O-CA 3.5Å; V34-K48 PolarHBondContact N-O 3.32Å; V34-K48 PolarHBondContact O-N 3.27Å; V34-I347 HydrophobicContact CG2-CD1 4.27Å; V34-L354 HydrophobicContact CG2-CB 4.3Å; V34-L354 HydrophobicContact CG2-CD1 3.36Å; V34-L354 HydrophobicContact CG2-CG 4.48Å |
| 35 | F | 92.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.4 | 175.7 | -67.5 | -110.4 | 0 | 0 | 0 | 108.5 | V25 F26 D28 Q33 V37 V45 V47 I69 F71 L78 | V25-F35 CarbonylContact C-O 3.52Å; V25-F35 VanDerWaalsContact CA-O 3.28Å; V25-F35 WeakPolarHBondContact CA-O 3.44Å; F26-F35 HydrophobicContact CB-CB 4.21Å; F26-F35 PolarHBondContact N-O 3.38Å; F26-F35 PolarHBondContact O-N 3.41Å; D28-F35 HydrophobicContact CB-CD2 4.4Å; D28-F35 HydrophobicContact CB-CE2 3.68Å; Q33-F35 HydrophobicContact CB-CE2 4.21Å; F35-V37 HydrophobicContact CB-CG2 4.44Å; F35-V45 HydrophobicContact CD1-CG1 3.89Å; F35-V47 HydrophobicContact CD1-CB 4.46Å; F35-V47 HydrophobicContact CD1-CG1 4.41Å; F35-V47 HydrophobicContact CD1-CG2 3.36Å; F35-V47 HydrophobicContact CD2-CG1 4.36Å; F35-V47 HydrophobicContact CE1-CB 4.42Å; F35-V47 HydrophobicContact CE1-CG1 4.14Å; F35-V47 HydrophobicContact CE1-CG2 3.39Å; F35-V47 HydrophobicContact CE2-CG1 4.06Å; F35-V47 HydrophobicContact CG-CG2 4.05Å; F35-V47 HydrophobicContact CZ-CG1 3.96Å; F35-V47 HydrophobicContact CZ-CG2 4.08Å; F35-I69 HydrophobicContact CB-CG2 4.01Å; F35-I69 HydrophobicContact CD1-CD1 3.94Å; F35-I69 HydrophobicContact CD1-CG1 3.8Å; F35-I69 HydrophobicContact CD1-CG2 4.09Å; F35-I69 HydrophobicContact CE1-CD1 4.3Å; F35-I69 HydrophobicContact CE1-CG1 3.91Å; F35-I69 HydrophobicContact CG-CG2 4.05Å; F35-F71 AromaticContact CE1-CD2 3.71Å; F35-F71 HydrophobicContact CE1-CD2 3.71Å; F35-F71 AromaticContact CE1-CE2 3.87Å; F35-F71 HydrophobicContact CE1-CE2 3.87Å; F35-F71 HydrophobicContact CZ-CB 4.33Å; F35-F71 AromaticContact CZ-CD2 3.42Å; F35-F71 HydrophobicContact CZ-CD2 3.42Å; F35-F71 VanDerWaalsContact CZ-CD2 3.42Å; F35-F71 HydrophobicContact CZ-CE2 4.05Å; F35-F71 HydrophobicContact CZ-CG 4.12Å; F35-L78 HydrophobicContact CE1-CD1 3.85Å; F35-L78 HydrophobicContact CZ-CD1 4.5Å |
| 36 | A | 91.5 | Very high | 85.2 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.3 | 165 | 0 | 0 | 0 | 0 | 0 | 108.4 | E17 V45 V46 | E17-A36 HydrophobicContact CB-CB 4.06Å; A36-V45 WeakPolarHBondContact O-CA 3.23Å; A36-V46 PolarHBondContact N-O 3.29Å; A36-V46 PolarHBondContact O-N 3.16Å |
| 37 | V | 89.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 109.3 | -176.1 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | N23 N24 F26 F35 T43 V45 V66 I69 | N23-V37 WeakPolarHBondContact CA-O 3.4Å; N23-V37 VanDerWaalsContact OD1-C 3.29Å; N23-V37 PolarHBondContact OD1-N 3.21Å; N23-V37 PolarHBondContact OD1-O 2.93Å; N24-V37 PolarHBondContact N-O 3.09Å; N24-V37 PolarHBondContact O-N 3.09Å; F26-V37 HydrophobicContact CD2-CB 4.48Å; F26-V37 HydrophobicContact CD2-CG2 3.8Å; F26-V37 HydrophobicContact CE2-CB 4.08Å; F26-V37 HydrophobicContact CE2-CG2 3.8Å; F35-V37 HydrophobicContact CB-CG2 4.44Å; V37-T43 HydrophobicContact CG1-CG2 3.49Å; V37-T43 VanDerWaalsContact CG1-CG2 3.49Å; V37-V45 HydrophobicContact CG1-CG2 4.37Å; V37-V45 HydrophobicContact CG2-CG1 4.3Å; V37-V45 HydrophobicContact CG2-CG2 4.25Å; V37-V66 HydrophobicContact CG1-CG2 4.25Å; V37-I69 HydrophobicContact CG2-CD1 4.46Å; V37-I69 HydrophobicContact CG2-CG2 4.23Å |
| 38 | R | 86.3 | Confident | 85 | Confident | 140 Ų | 140 | 34.4 Ų | 34.4 | 53% | 0.528 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.2 | -179.3 | -173.2 | 173.7 | 173.5 | 178.5 | -0.8 | 111.3 | V22 T43 G44 | V22-R38 CarbonylContact O-C 3.48Å; V22-R38 WeakPolarHBondContact O-CA 3.36Å; R38-T43 WeakPolarHBondContact O-CA 3.49Å; R38-G44 PolarHBondContact N-O 3.41Å; R38-G44 PolarHBondContact O-N 3.4Å |
| 39 | S | 74.4 | Confident | 84.7 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 34% | 0.336 | 22% | 0.223 | S | C | . | . | trans | -97.1 | 125.2 | 177.3 | -49.5 | 0 | 0 | 0 | 0 | 109.5 | V22 | V22-S39 PolarHBondContact O-N 3.36Š| ||
| 40 | G | 61 | Low | 84 | Confident | 72 Ų | 72 | 35.7 Ų | 35.7 | 74% | 0.742 | 23% | 0.234 | S | C | * | . | S | Bend | trans | 163.3 | 39.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 41 | G | 65 | Low | 83.4 | Confident | 62 Ų | 62 | 39.6 Ų | 39.6 | 64% | 0.639 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 113.1 | -47.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 42 | A | 65.4 | Low | 82.3 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 49% | 0.488 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -128.7 | 124.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | G44 | A42-G44 PolarHBondContact O-N 3.36Š|
| 43 | T | 80 | Confident | 81.1 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 98.1 | -174.9 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | V37 R38 V45 R59 M60 D62 | V37-T43 HydrophobicContact CG1-CG2 3.49Å; V37-T43 VanDerWaalsContact CG1-CG2 3.49Å; R38-T43 WeakPolarHBondContact O-CA 3.49Å; T43-V45 HydrophobicContact CG2-CG2 4.36Å; T43-R59 WeakPolarHBondContact O-CA 3.3Å; T43-M60 PolarHBondContact N-O 3.18Å; T43-M60 PolarHBondContact O-N 2.87Å; T43-D62 WeakPolarHBondContact OG1-CA 3.33Å |
| 44 | G | 85.8 | Confident | 79.9 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 26% | 0.258 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 127.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R38 A42 | R38-G44 PolarHBondContact N-O 3.41Å; R38-G44 PolarHBondContact O-N 3.4Å; A42-G44 PolarHBondContact O-N 3.36Å |
| 45 | V | 89.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.4 | 177.7 | -175 | 0 | 0 | 0 | 0 | 108.8 | F35 A36 V37 T43 V47 A57 F58 M60 I69 | F35-V45 HydrophobicContact CD1-CG1 3.89Å; A36-V45 WeakPolarHBondContact O-CA 3.23Å; V37-V45 HydrophobicContact CG1-CG2 4.37Å; V37-V45 HydrophobicContact CG2-CG1 4.3Å; V37-V45 HydrophobicContact CG2-CG2 4.25Å; T43-V45 HydrophobicContact CG2-CG2 4.36Å; V45-V47 HydrophobicContact CG1-CG2 3.95Å; V45-A57 WeakPolarHBondContact O-CA 3.39Å; V45-F58 HydrophobicContact CB-CD1 4.46Å; V45-F58 HydrophobicContact CB-CD2 4.17Å; V45-F58 HydrophobicContact CB-CE1 4.05Å; V45-F58 HydrophobicContact CB-CE2 3.74Å; V45-F58 HydrophobicContact CB-CZ 3.67Å; V45-F58 HydrophobicContact CG1-CE1 3.9Å; V45-F58 HydrophobicContact CG1-CE2 4.15Å; V45-F58 HydrophobicContact CG1-CZ 3.58Å; V45-F58 HydrophobicContact CG2-CE2 3.95Å; V45-F58 HydrophobicContact CG2-CZ 4.23Å; V45-F58 PolarHBondContact N-O 3.06Å; V45-F58 PolarHBondContact O-N 3.44Å; V45-M60 HydrophobicContact CG2-CG 4.18Å; V45-M60 HydrophobicContact CG2-SD 3.75Å; V45-I69 HydrophobicContact CG1-CD1 4.19Å; V45-I69 HydrophobicContact CG2-CD1 4.4Å |
| 46 | V | 90.3 | Very high | 79.1 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.7 | 172.4 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | A36 K48 A57 | A36-V46 PolarHBondContact N-O 3.29Å; A36-V46 PolarHBondContact O-N 3.16Å; V46-K48 HydrophobicContact CG1-CG 4.24Å; V46-A57 HydrophobicContact CG2-CB 4.34Å |
| 47 | V | 90.8 | Very high | 78.9 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.2 | 177.4 | -170.8 | 0 | 0 | 0 | 0 | 108.4 | Q33 V34 F35 V45 S55 V56 F58 F71 | Q33-V47 HydrophobicContact CB-CG1 3.92Å; Q33-V47 HydrophobicContact CG-CG1 4.26Å; V34-V47 WeakPolarHBondContact O-CA 3.5Å; F35-V47 HydrophobicContact CD1-CB 4.46Å; F35-V47 HydrophobicContact CD1-CG1 4.41Å; F35-V47 HydrophobicContact CD1-CG2 3.36Å; F35-V47 HydrophobicContact CD2-CG1 4.36Å; F35-V47 HydrophobicContact CE1-CB 4.42Å; F35-V47 HydrophobicContact CE1-CG1 4.14Å; F35-V47 HydrophobicContact CE1-CG2 3.39Å; F35-V47 HydrophobicContact CE2-CG1 4.06Å; F35-V47 HydrophobicContact CG-CG2 4.05Å; F35-V47 HydrophobicContact CZ-CG1 3.96Å; F35-V47 HydrophobicContact CZ-CG2 4.08Å; V45-V47 HydrophobicContact CG1-CG2 3.95Å; V47-S55 CarbonylContact O-C 3.6Å; V47-S55 WeakPolarHBondContact O-CA 3.47Å; V47-S55 PolarHBondContact O-OG 3.26Å; V47-V56 PolarHBondContact N-O 2.93Å; V47-V56 PolarHBondContact O-N 3Å; V47-F58 HydrophobicContact CG2-CE1 3.94Å; V47-F71 HydrophobicContact CB-CE2 4.41Å; V47-F71 HydrophobicContact CG1-CD2 4.37Å; V47-F71 HydrophobicContact CG1-CE2 4.34Å; V47-F71 HydrophobicContact CG2-CE2 3.85Å |
| 48 | K | 89.9 | Confident | 78.8 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.4 | 175.3 | -66.5 | -169.8 | 175.5 | -164.5 | 0 | 109.6 | V14 Q15 F16 Q33 V34 V46 | V14-K48 HydrophobicContact CG1-CB 3.66Å; Q15-K48 WeakPolarHBondContact O-CD 3.35Å; Q15-K48 WeakPolarHBondContact O-CE 3.19Å; Q15-K48 PolarHBondContact O-NZ 3.46Å; F16-K48 HydrophobicContact CB-CD 4.28Å; Q33-K48 CarbonylContact C-O 3.58Å; Q33-K48 WeakPolarHBondContact CA-O 3.33Å; V34-K48 PolarHBondContact N-O 3.32Å; V34-K48 PolarHBondContact O-N 3.27Å; V46-K48 HydrophobicContact CG1-CG 4.24Å |
| 49 | G | 85.3 | Confident | 78.9 | Confident | 5 Ų | 5 | 66 Ų | 66 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | trans | -112.2 | -171.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V14 D51 S54 | V14-G49 WeakPolarHBondContact CG2-O 3.47Å; G49-D51 PolarHBondContact O-N 2.97Å; G49-S54 VanDerWaalsContact CA-OG 3.28Å; G49-S54 WeakPolarHBondContact CA-OG 3.38Å; G49-S54 PolarHBondContact N-OG 2.77Å | ||
| 50 | P | 74.9 | Confident | 79.4 | Confident | 67 Ų | 67 | 64.1 Ų | 64.1 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -59.5 | -32.2 | 177.1 | 15.9 | -26.6 | 0 | 0 | 0 | 113.9 | Y356 | P50-Y356 HydrophobicContact CB-CE2 4.17Å; P50-Y356 WeakPolarHBondContact CB-OH 3.35Å |
| 51 | D | 75.2 | Confident | 80.4 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -100.1 | 133.6 | 179.7 | -63.4 | -43.6 | 0 | 0 | 0 | 110.6 | G49 K53 S54 | G49-D51 PolarHBondContact O-N 2.97Å; D51-K53 PolarHBondContact O-N 2.91Å; D51-K53 VanDerWaalsContact O-N 3.11Å; D51-S54 WeakPolarHBondContact O-CA 3.48Å; D51-S54 VanDerWaalsContact O-CB 3.31Å; D51-S54 WeakPolarHBondContact O-CB 3.35Å; D51-S54 PolarHBondContact O-N 3.41Å; D51-S54 PolarHBondContact O-OG 3.01Å |
| 52 | D | 66.1 | Low | 81.1 | Confident | 161 Ų | 161 | 66.4 Ų | 66.4 | 86% | 0.861 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -57.7 | -29.7 | 175.8 | -83.6 | -21.3 | 0 | 0 | 0 | 112.9 | S54 S55 | D52-S54 PolarHBondContact O-N 3.48Å; D52-S55 PolarHBondContact O-N 3.42Å |
| 53 | K | 66 | Low | 81.9 | Confident | 208 Ų | 208 | 69 Ų | 69 | 90% | 0.904 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -65.5 | -17.8 | 174.3 | -64.9 | -178.6 | -178.3 | 176.3 | 0 | 113.6 | D51 S55 | D51-K53 PolarHBondContact O-N 2.91Å; D51-K53 VanDerWaalsContact O-N 3.11Å; K53-S55 VanDerWaalsContact C-N 3.34Å |
| 54 | S | 66.2 | Low | 82 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -90.5 | 1.9 | 179.3 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | G49 D51 D52 V56 | G49-S54 VanDerWaalsContact CA-OG 3.28Å; G49-S54 WeakPolarHBondContact CA-OG 3.38Å; G49-S54 PolarHBondContact N-OG 2.77Å; D51-S54 WeakPolarHBondContact O-CA 3.48Å; D51-S54 VanDerWaalsContact O-CB 3.31Å; D51-S54 WeakPolarHBondContact O-CB 3.35Å; D51-S54 PolarHBondContact O-N 3.41Å; D51-S54 PolarHBondContact O-OG 3.01Å; D52-S54 PolarHBondContact O-N 3.48Å; S54-V56 PolarHBondContact O-N 3.37Å |
| 55 | S | 81.7 | Confident | 81.9 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | trans | -74.7 | 126.7 | 176.3 | -167.7 | 0 | 0 | 0 | 0 | 111.2 | V47 D52 K53 | V47-S55 CarbonylContact O-C 3.6Å; V47-S55 WeakPolarHBondContact O-CA 3.47Å; V47-S55 PolarHBondContact O-OG 3.26Å; D52-S55 PolarHBondContact O-N 3.42Å; K53-S55 VanDerWaalsContact C-N 3.34Å | ||
| 56 | V | 85.9 | Confident | 82 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 29% | 0.291 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.3 | 178.4 | -171.8 | 0 | 0 | 0 | 0 | 108.1 | V47 S54 F58 | V47-V56 PolarHBondContact N-O 2.93Å; V47-V56 PolarHBondContact O-N 3Å; S54-V56 PolarHBondContact O-N 3.37Å; V56-F58 HydrophobicContact CG1-CD1 3.97Å |
| 57 | A | 87.3 | Confident | 81.9 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 65% | 0.645 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V45 V46 | V45-A57 WeakPolarHBondContact O-CA 3.39Å; V46-A57 HydrophobicContact CG2-CB 4.34Å |
| 58 | F | 88.6 | Confident | 82 | Confident | 29 Ų | 29 | 80.3 Ų | 80.3 | 13% | 0.127 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 169.9 | 179 | 60.2 | -88.2 | 0 | 0 | 0 | 110.8 | V45 V47 V56 M60 F71 L78 F92 | V45-F58 HydrophobicContact CB-CD1 4.46Å; V45-F58 HydrophobicContact CB-CD2 4.17Å; V45-F58 HydrophobicContact CB-CE1 4.05Å; V45-F58 HydrophobicContact CB-CE2 3.74Å; V45-F58 HydrophobicContact CB-CZ 3.67Å; V45-F58 HydrophobicContact CG1-CE1 3.9Å; V45-F58 HydrophobicContact CG1-CE2 4.15Å; V45-F58 HydrophobicContact CG1-CZ 3.58Å; V45-F58 HydrophobicContact CG2-CE2 3.95Å; V45-F58 HydrophobicContact CG2-CZ 4.23Å; V45-F58 PolarHBondContact N-O 3.06Å; V45-F58 PolarHBondContact O-N 3.44Å; V47-F58 HydrophobicContact CG2-CE1 3.94Å; V56-F58 HydrophobicContact CG1-CD1 3.97Å; F58-M60 HydrophobicContact CD2-CG 3.83Å; F58-M60 HydrophobicContact CE2-CG 3.58Å; F58-M60 HydrophobicContact CE2-SD 3.7Å; F58-F71 HydrophobicContact CE1-CE2 4.06Å; F58-F71 AromaticContact CE1-CZ 3.74Å; F58-F71 HydrophobicContact CE1-CZ 3.74Å; F58-F71 HydrophobicContact CZ-CZ 4.11Å; F58-L78 HydrophobicContact CE2-CD2 3.54Å; F58-L78 HydrophobicContact CZ-CD1 4.24Å; F58-L78 HydrophobicContact CZ-CD2 3.52Å; F58-L78 HydrophobicContact CZ-CG 4.5Å; F58-F92 HydrophobicContact CB-CE1 4.14Å; F58-F92 HydrophobicContact CB-CZ 4.36Å; F58-F92 AromaticContact CD1-CE1 3.84Å; F58-F92 HydrophobicContact CD1-CE1 3.84Å; F58-F92 AromaticContact CD1-CZ 3.88Å; F58-F92 HydrophobicContact CD1-CZ 3.88Å; F58-F92 HydrophobicContact CD2-CE1 4.18Å; F58-F92 AromaticContact CD2-CZ 3.57Å; F58-F92 HydrophobicContact CD2-CZ 3.57Å; F58-F92 HydrophobicContact CE1-CE1 4.25Å; F58-F92 AromaticContact CE1-CZ 3.98Å; F58-F92 HydrophobicContact CE1-CZ 3.98Å; F58-F92 HydrophobicContact CE2-CE2 4.38Å; F58-F92 AromaticContact CE2-CZ 3.66Å; F58-F92 HydrophobicContact CE2-CZ 3.66Å; F58-F92 AromaticContact CG-CE1 3.8Å; F58-F92 HydrophobicContact CG-CE1 3.8Å; F58-F92 AromaticContact CG-CZ 3.67Å; F58-F92 HydrophobicContact CG-CZ 3.67Å; F58-F92 HydrophobicContact CZ-CE2 4.48Å; F58-F92 AromaticContact CZ-CZ 3.87Å; F58-F92 HydrophobicContact CZ-CZ 3.87Å |
| 59 | R | 86.8 | Confident | 82.2 | Confident | 211 Ų | 211 | 77.2 Ų | 77.2 | 80% | 0.796 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.5 | 176.4 | -65.8 | -177.7 | -178.3 | 173.3 | 0.4 | 109.5 | T43 | T43-R59 WeakPolarHBondContact O-CA 3.3Å |
| 60 | M | 85.9 | Confident | 82.6 | Confident | 9 Ų | 9 | 77.8 Ų | 77.8 | 4% | 0.044 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 156.7 | 174.6 | -64.4 | -179.9 | 69.3 | 0 | 0 | 109.8 | T43 V45 F58 D62 I69 L78 V80 R82 I90 | T43-M60 PolarHBondContact N-O 3.18Å; T43-M60 PolarHBondContact O-N 2.87Å; V45-M60 HydrophobicContact CG2-CG 4.18Å; V45-M60 HydrophobicContact CG2-SD 3.75Å; F58-M60 HydrophobicContact CD2-CG 3.83Å; F58-M60 HydrophobicContact CE2-CG 3.58Å; F58-M60 HydrophobicContact CE2-SD 3.7Å; M60-D62 PolarHBondContact O-N 3.5Å; M60-I69 HydrophobicContact SD-CD1 4.2Å; M60-L78 HydrophobicContact CE-CD2 4.07Å; M60-L78 HydrophobicContact SD-CD2 3.81Å; M60-V80 HydrophobicContact CE-CB 4.17Å; M60-V80 HydrophobicContact CE-CG1 4.25Å; M60-V80 HydrophobicContact CE-CG2 3.44Å; M60-V80 VanDerWaalsContact CE-CG2 3.44Å; M60-V80 HydrophobicContact SD-CG2 4.24Å; M60-R82 VanDerWaalsContact CE-NH2 3.27Å; M60-I90 HydrophobicContact CE-CD1 3.34Å; M60-I90 HydrophobicContact CE-CG1 4.44Å; M60-I90 HydrophobicContact CG-CD1 4.21Å; M60-I90 HydrophobicContact SD-CD1 4.34Å |
| 61 | D | 82.1 | Confident | 83.5 | Confident | 102 Ų | 102 | 74.7 Ų | 74.7 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | trans | -63.3 | 135.2 | 170.1 | -67.9 | -19.6 | 0 | 0 | 0 | 110.2 | K63 R82 | D61-K63 HydrophobicContact CB-CD 4.44Å; D61-K63 HydrophobicContact CB-CG 4.23Å; D61-K63 PolarHBondContact O-N 3.06Å; D61-K63 VanDerWaalsContact O-N 3.12Å; D61-R82 PolarHBondContact O-NH2 3.36Å | ||
| 62 | D | 79.5 | Confident | 84.4 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | trans | -77.2 | 97.5 | 175.2 | -168.4 | -5 | 0 | 0 | 0 | 109.6 | T43 M60 G64 | T43-D62 WeakPolarHBondContact OG1-CA 3.33Å; M60-D62 PolarHBondContact O-N 3.5Å; D62-G64 PolarHBondContact OD1-N 3.03Å | ||
| 63 | K | 81.8 | Confident | 85.5 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | trans | -115 | 27.9 | 179.5 | -65.3 | 179.7 | -179.1 | 171.1 | 0 | 111.7 | D61 E100 | D61-K63 HydrophobicContact CB-CD 4.44Å; D61-K63 HydrophobicContact CB-CG 4.23Å; D61-K63 PolarHBondContact O-N 3.06Å; D61-K63 VanDerWaalsContact O-N 3.12Å; K63-E100 IonicContact NZ-OE2 2.72Å; K63-E100 PolarHBondContact NZ-OE2 3.35Å | ||
| 64 | G | 81.9 | Confident | 86.4 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 93.7 | -171.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D62 | D62-G64 PolarHBondContact OD1-N 3.03Š|
| 65 | E | 85.1 | Confident | 87.5 | Confident | 137 Ų | 137 | 58.5 Ų | 58.5 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | trans | -64 | 132 | -171.1 | -171.2 | -178.9 | -173.3 | 0 | 0 | 112.8 | ||||
| 66 | V | 89.9 | Confident | 87.9 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | trans | -84.6 | 125.6 | 172.9 | 177 | 0 | 0 | 0 | 0 | 109 | F26 V37 I69 V80 | F26-V66 HydrophobicContact CE2-CB 4.37Å; F26-V66 HydrophobicContact CE2-CG1 4.08Å; F26-V66 HydrophobicContact CZ-CB 4.21Å; F26-V66 HydrophobicContact CZ-CG1 3.99Å; F26-V66 WeakPolarHBondContact CZ-O 3.09Å; V37-V66 HydrophobicContact CG1-CG2 4.25Å; V66-I69 HydrophobicContact CG1-CB 3.95Å; V66-I69 HydrophobicContact CG1-CG2 4.11Å; V66-V80 HydrophobicContact CG1-CG1 3.87Å; V66-V80 HydrophobicContact CG2-CG1 4.01Å | ||
| 67 | K | 90.1 | Very high | 88.2 | Confident | 110 Ų | 110 | 58 Ų | 58 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -93.9 | -36.8 | 175.8 | -61.9 | -172.6 | 177.2 | -171.1 | 0 | 112.7 | F26 Q81 | F26-K67 WeakPolarHBondContact CE1-O 3.22Å; K67-Q81 HydrophobicContact CB-CG 4.44Å; K67-Q81 WeakPolarHBondContact CB-O 3.44Å; K67-Q81 PolarHBondContact N-O 3.07Å |
| 68 | C | 91.8 | Very high | 88.5 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 140.1 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | V80 Q81 F115 | C68-V80 WeakPolarHBondContact O-CA 3.26Å; C68-Q81 HydrophobicContact CB-CB 4.08Å; C68-Q81 PolarHBondContact N-O 3.25Å; C68-Q81 PolarHBondContact O-N 3.25Å; C68-F115 HydrophobicContact CB-CE1 3.88Å; C68-F115 HydrophobicContact CB-CZ 4.49Å |
| 69 | I | 94.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 126.7 | 179.6 | 179.8 | 163 | 0 | 0 | 0 | 108.5 | F26 F35 V37 V45 M60 V66 L78 A79 V80 | F26-I69 HydrophobicContact CB-CG2 3.74Å; F26-I69 HydrophobicContact CD1-CG2 4.39Å; F26-I69 HydrophobicContact CD2-CG2 3.47Å; F26-I69 VanDerWaalsContact CD2-CG2 3.47Å; F26-I69 HydrophobicContact CE2-CG2 4.19Å; F26-I69 HydrophobicContact CG-CG2 3.6Å; F35-I69 HydrophobicContact CB-CG2 4.01Å; F35-I69 HydrophobicContact CD1-CD1 3.94Å; F35-I69 HydrophobicContact CD1-CG1 3.8Å; F35-I69 HydrophobicContact CD1-CG2 4.09Å; F35-I69 HydrophobicContact CE1-CD1 4.3Å; F35-I69 HydrophobicContact CE1-CG1 3.91Å; F35-I69 HydrophobicContact CG-CG2 4.05Å; V37-I69 HydrophobicContact CG2-CD1 4.46Å; V37-I69 HydrophobicContact CG2-CG2 4.23Å; V45-I69 HydrophobicContact CG1-CD1 4.19Å; V45-I69 HydrophobicContact CG2-CD1 4.4Å; M60-I69 HydrophobicContact SD-CD1 4.2Å; V66-I69 HydrophobicContact CG1-CB 3.95Å; V66-I69 HydrophobicContact CG1-CG2 4.11Å; I69-L78 HydrophobicContact CD1-CD1 4.05Å; I69-L78 HydrophobicContact CD1-CD2 4.17Å; I69-L78 HydrophobicContact CD1-CG 4.44Å; I69-L78 HydrophobicContact CG1-CD1 3.73Å; I69-L78 HydrophobicContact CG1-CG 4.34Å; I69-A79 WeakPolarHBondContact CA-O 3.25Å; I69-V80 HydrophobicContact CD1-CG2 3.89Å; I69-V80 HydrophobicContact CG1-CG2 3.93Å |
| 70 | K | 94.7 | Very high | 89.1 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 8% | 0.078 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 148 | 178.3 | -55.3 | -179.2 | 179.9 | 174.9 | 0 | 111.2 | D28 A79 F115 W117 | D28-K70 HydrophobicContact CB-CB 4.33Å; D28-K70 HydrophobicContact CB-CG 4.23Å; K70-A79 PolarHBondContact N-O 3.42Å; K70-A79 PolarHBondContact O-N 3.42Å; K70-F115 HydrophobicContact CB-CE2 3.85Å; K70-F115 HydrophobicContact CB-CZ 4.33Å; K70-F115 HydrophobicContact CD-CE2 4.25Å; K70-F115 HydrophobicContact CG-CE2 4.12Å; K70-F115 HydrophobicContact CG-CZ 4.36Å; K70-F115 PolarHBondContact NZ-O 3.41Å; K70-W117 PolarHBondContact O-NE1 3.11Å |
| 71 | F | 93.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 149.5 | 172.3 | -90.3 | -59.5 | 0 | 0 | 0 | 111 | D28 N31 F35 V47 F58 N75 I77 L78 F92 W117 | D28-F71 PolarHBondContact OD2-N 3.48Å; N31-F71 PolarHBondContact ND2-O 2.95Å; F35-F71 AromaticContact CE1-CD2 3.71Å; F35-F71 HydrophobicContact CE1-CD2 3.71Å; F35-F71 AromaticContact CE1-CE2 3.87Å; F35-F71 HydrophobicContact CE1-CE2 3.87Å; F35-F71 HydrophobicContact CZ-CB 4.33Å; F35-F71 AromaticContact CZ-CD2 3.42Å; F35-F71 HydrophobicContact CZ-CD2 3.42Å; F35-F71 VanDerWaalsContact CZ-CD2 3.42Å; F35-F71 HydrophobicContact CZ-CE2 4.05Å; F35-F71 HydrophobicContact CZ-CG 4.12Å; V47-F71 HydrophobicContact CB-CE2 4.41Å; V47-F71 HydrophobicContact CG1-CD2 4.37Å; V47-F71 HydrophobicContact CG1-CE2 4.34Å; V47-F71 HydrophobicContact CG2-CE2 3.85Å; F58-F71 HydrophobicContact CE1-CE2 4.06Å; F58-F71 AromaticContact CE1-CZ 3.74Å; F58-F71 HydrophobicContact CE1-CZ 3.74Å; F58-F71 HydrophobicContact CZ-CZ 4.11Å; F71-N75 HydrophobicContact CD1-CB 4.38Å; F71-N75 HydrophobicContact CG-CB 4.29Å; F71-I77 CarbonylContact C-O 3.6Å; F71-L78 HydrophobicContact CD1-CB 4Å; F71-L78 HydrophobicContact CD1-CD1 3.81Å; F71-L78 HydrophobicContact CD2-CD1 4.25Å; F71-L78 HydrophobicContact CE1-CB 3.71Å; F71-L78 HydrophobicContact CE1-CD1 3.72Å; F71-L78 HydrophobicContact CE1-CG 4.28Å; F71-L78 HydrophobicContact CE2-CD1 4.16Å; F71-L78 HydrophobicContact CG-CD1 4.06Å; F71-L78 HydrophobicContact CZ-CB 4.47Å; F71-L78 HydrophobicContact CZ-CD1 3.88Å; F71-F92 HydrophobicContact CE1-CB 4.5Å; F71-F92 HydrophobicContact CE1-CD1 4.48Å; F71-F92 AromaticContact CE1-CD2 3.72Å; F71-F92 HydrophobicContact CE1-CD2 3.72Å; F71-F92 HydrophobicContact CE1-CE2 4Å; F71-F92 AromaticContact CE1-CG 3.98Å; F71-F92 HydrophobicContact CE1-CG 3.98Å; F71-F92 HydrophobicContact CZ-CD1 4.49Å; F71-F92 HydrophobicContact CZ-CD2 4.32Å; F71-F92 HydrophobicContact CZ-CE1 4.45Å; F71-F92 HydrophobicContact CZ-CE2 4.29Å; F71-F92 HydrophobicContact CZ-CG 4.42Å; F71-F92 HydrophobicContact CZ-CZ 4.36Å; F71-W117 PolarHBondContact O-NE1 3.46Å |
| 72 | S | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 158.5 | 164.5 | 77.4 | 0 | 0 | 0 | 0 | 110.6 | G74 N75 I77 W117 W120 | S72-G74 PolarHBondContact O-N 3.47Å; S72-G74 VanDerWaalsContact O-N 3.1Å; S72-N75 PolarHBondContact O-N 3.34Å; S72-I77 PolarHBondContact N-O 2.99Å; S72-I77 PolarHBondContact OG-N 3.17Å; S72-W117 VanDerWaalsContact CB-CE3 3.45Å; S72-W120 WeakPolarHBondContact CB-O 3.22Å; S72-W120 PolarHBondContact OG-O 3.33Å |
| 73 | I | 88.7 | Confident | 90.3 | Very high | 73 Ų | 73 | 38 Ų | 38 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 120.5 | -178.8 | -55.2 | -175.9 | 0 | 0 | 0 | 109.3 | W120 | I73-W120 WeakPolarHBondContact O-CA 3.3Å; I73-W120 WeakPolarHBondContact O-CB 3.11Å |
| 74 | G | 86.8 | Confident | 90.6 | Very high | 53 Ų | 53 | 35 Ų | 35 | 55% | 0.546 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 17.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S72 K76 | S72-G74 PolarHBondContact O-N 3.47Å; S72-G74 VanDerWaalsContact O-N 3.1Å; G74-K76 VanDerWaalsContact C-N 3.29Å; G74-K76 PolarHBondContact O-N 3.32Å |
| 75 | N | 88.9 | Confident | 91 | Very high | 39 Ų | 39 | 38.2 Ų | 38.2 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 57.5 | 32.2 | 171.1 | -59.3 | -1.5 | 0 | 0 | 0 | 114.9 | Q33 F71 S72 | Q33-N75 PolarHBondContact NE2-ND2 2.92Å; Q33-N75 VanDerWaalsContact NE2-ND2 3.12Å; Q33-N75 PolarHBondContact NE2-OD1 3.45Å; Q33-N75 VanDerWaalsContact NE2-OD1 3.08Å; Q33-N75 PolarHBondContact OE1-OD1 2.9Å; F71-N75 HydrophobicContact CD1-CB 4.38Å; F71-N75 HydrophobicContact CG-CB 4.29Å; S72-N75 PolarHBondContact O-N 3.34Å |
| 76 | K | 89.4 | Confident | 91.3 | Very high | 91 Ų | 91 | 32.3 Ų | 32.3 | 40% | 0.396 | 18% | 0.176 | S | C | . | . | trans | -87.7 | -34.5 | -175.7 | -65.3 | -174 | 179.6 | -178.2 | 0 | 113.8 | G74 F92 I93 W120 | G74-K76 VanDerWaalsContact C-N 3.29Å; G74-K76 PolarHBondContact O-N 3.32Å; K76-F92 WeakPolarHBondContact O-CA 3.43Å; K76-F92 PolarHBondContact O-N 3.18Å; K76-I93 HydrophobicContact CB-CD1 4.43Å; K76-I93 HydrophobicContact CB-CG1 4Å; K76-W120 HydrophobicContact CD-CD2 4.41Å; K76-W120 HydrophobicContact CD-CE3 3.79Å; K76-W120 HydrophobicContact CD-CZ3 4.44Å | ||
| 77 | I | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.4 | -175.3 | -49.7 | 170.5 | 0 | 0 | 0 | 107.6 | F71 S72 F89 I90 W117 V136 P138 | F71-I77 CarbonylContact C-O 3.6Å; S72-I77 PolarHBondContact N-O 2.99Å; S72-I77 PolarHBondContact OG-N 3.17Å; I77-F89 HydrophobicContact CG2-CB 4.47Å; I77-F89 HydrophobicContact CG2-CD1 4.04Å; I77-I90 WeakPolarHBondContact CA-O 3.22Å; I77-W117 HydrophobicContact CB-CH2 3.87Å; I77-W117 HydrophobicContact CB-CZ2 4.21Å; I77-W117 HydrophobicContact CD1-CH2 4.25Å; I77-W117 HydrophobicContact CG2-CH2 3.82Å; I77-W117 HydrophobicContact CG2-CZ2 4.13Å; I77-V136 HydrophobicContact CD1-CB 4.17Å; I77-V136 HydrophobicContact CD1-CG1 3.9Å; I77-P138 HydrophobicContact CD1-CG 3.69Å; I77-P138 HydrophobicContact CG1-CG 4.26Å |
| 78 | L | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.2 | 172.1 | -174.4 | 71.3 | 0 | 0 | 0 | 108.9 | F35 F58 M60 I69 F71 V80 F89 I90 F92 | F35-L78 HydrophobicContact CE1-CD1 3.85Å; F35-L78 HydrophobicContact CZ-CD1 4.5Å; F58-L78 HydrophobicContact CE2-CD2 3.54Å; F58-L78 HydrophobicContact CZ-CD1 4.24Å; F58-L78 HydrophobicContact CZ-CD2 3.52Å; F58-L78 HydrophobicContact CZ-CG 4.5Å; M60-L78 HydrophobicContact CE-CD2 4.07Å; M60-L78 HydrophobicContact SD-CD2 3.81Å; I69-L78 HydrophobicContact CD1-CD1 4.05Å; I69-L78 HydrophobicContact CD1-CD2 4.17Å; I69-L78 HydrophobicContact CD1-CG 4.44Å; I69-L78 HydrophobicContact CG1-CD1 3.73Å; I69-L78 HydrophobicContact CG1-CG 4.34Å; F71-L78 HydrophobicContact CD1-CB 4Å; F71-L78 HydrophobicContact CD1-CD1 3.81Å; F71-L78 HydrophobicContact CD2-CD1 4.25Å; F71-L78 HydrophobicContact CE1-CB 3.71Å; F71-L78 HydrophobicContact CE1-CD1 3.72Å; F71-L78 HydrophobicContact CE1-CG 4.28Å; F71-L78 HydrophobicContact CE2-CD1 4.16Å; F71-L78 HydrophobicContact CG-CD1 4.06Å; F71-L78 HydrophobicContact CZ-CB 4.47Å; F71-L78 HydrophobicContact CZ-CD1 3.88Å; L78-V80 HydrophobicContact CD2-CG2 3.78Å; L78-V80 HydrophobicContact CG-CG2 3.82Å; L78-F89 CarbonylContact O-C 3.56Å; L78-F89 VanDerWaalsContact O-CA 3.27Å; L78-F89 WeakPolarHBondContact O-CA 3.42Å; L78-I90 HydrophobicContact CB-CB 4.21Å; L78-I90 HydrophobicContact CD2-CD1 4.2Å; L78-I90 HydrophobicContact CD2-CG1 4.48Å; L78-I90 PolarHBondContact N-O 3.18Å; L78-I90 PolarHBondContact O-N 2.85Å; L78-F92 HydrophobicContact CB-CD2 3.92Å; L78-F92 HydrophobicContact CB-CE2 3.62Å; L78-F92 HydrophobicContact CD2-CE2 3.92Å; L78-F92 HydrophobicContact CD2-CZ 4.41Å; L78-F92 HydrophobicContact CG-CE2 4.39Å |
| 79 | A | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I69 K70 V87 D88 F89 F115 W117 I123 | I69-A79 WeakPolarHBondContact CA-O 3.25Å; K70-A79 PolarHBondContact N-O 3.42Å; K70-A79 PolarHBondContact O-N 3.42Å; A79-V87 HydrophobicContact CB-CG1 3.96Å; A79-D88 CarbonylContact C-O 3.55Å; A79-D88 WeakPolarHBondContact CA-O 3.39Å; A79-F89 HydrophobicContact CB-CD1 4.1Å; A79-F89 HydrophobicContact CB-CE1 3.88Å; A79-F115 HydrophobicContact CB-CD2 4.13Å; A79-F115 HydrophobicContact CB-CE2 3.43Å; A79-F115 VanDerWaalsContact CB-CE2 3.43Å; A79-F115 HydrophobicContact CB-CZ 3.68Å; A79-F115 WeakPolarHBondContact O-CZ 3.45Å; A79-W117 HydrophobicContact CB-CZ2 3.67Å; A79-I123 HydrophobicContact CB-CD1 4.02Å |
| 80 | V | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.1 | -177.7 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | M60 V66 C68 I69 L78 R82 D88 | M60-V80 HydrophobicContact CE-CB 4.17Å; M60-V80 HydrophobicContact CE-CG1 4.25Å; M60-V80 HydrophobicContact CE-CG2 3.44Å; M60-V80 VanDerWaalsContact CE-CG2 3.44Å; M60-V80 HydrophobicContact SD-CG2 4.24Å; V66-V80 HydrophobicContact CG1-CG1 3.87Å; V66-V80 HydrophobicContact CG2-CG1 4.01Å; C68-V80 WeakPolarHBondContact O-CA 3.26Å; I69-V80 HydrophobicContact CD1-CG2 3.89Å; I69-V80 HydrophobicContact CG1-CG2 3.93Å; L78-V80 HydrophobicContact CD2-CG2 3.78Å; L78-V80 HydrophobicContact CG-CG2 3.82Å; V80-R82 HydrophobicContact CG1-CG 4.05Å; V80-D88 PolarHBondContact N-O 3.04Å; V80-D88 PolarHBondContact O-N 3.13Å |
| 81 | Q | 93.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.033 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 111.1 | 173.2 | -177.4 | -174.4 | -0.7 | 0 | 0 | 109.3 | K67 C68 T83 V87 V112 F115 | K67-Q81 HydrophobicContact CB-CG 4.44Å; K67-Q81 WeakPolarHBondContact CB-O 3.44Å; K67-Q81 PolarHBondContact N-O 3.07Å; C68-Q81 HydrophobicContact CB-CB 4.08Å; C68-Q81 PolarHBondContact N-O 3.25Å; C68-Q81 PolarHBondContact O-N 3.25Å; Q81-T83 WeakPolarHBondContact CG-O 3.15Å; Q81-T83 PolarHBondContact NE2-O 3.39Å; Q81-V87 HydrophobicContact CB-CG2 4.43Å; Q81-V112 PolarHBondContact NE2-O 3.07Å; Q81-F115 HydrophobicContact CB-CD1 4.31Å; Q81-F115 HydrophobicContact CB-CE1 3.85Å |
| 82 | R | 88.9 | Confident | 91.1 | Very high | 21 Ų | 21 | 28 Ų | 28 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | trans | -102.4 | -36.4 | 173.6 | -61.3 | 178.6 | 176.2 | 113.8 | -15.1 | 111.7 | M60 D61 V80 D88 E100 | M60-R82 VanDerWaalsContact CE-NH2 3.27Å; D61-R82 PolarHBondContact O-NH2 3.36Å; V80-R82 HydrophobicContact CG1-CG 4.05Å; R82-D88 IonicContact CZ-OD2 2.92Å; R82-D88 IonicContact NH1-OD2 2.89Å; R82-D88 PolarHBondContact NH1-OD2 2.77Å; R82-E100 IonicContact NH1-OE1 3.94Å; R82-E100 IonicContact NH1-OE2 3.76Å; R82-E100 IonicContact NH2-OE1 2.67Å | ||
| 83 | T | 89.3 | Confident | 90.6 | Very high | 62 Ų | 62 | 29.5 Ų | 29.5 | 38% | 0.38 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -104.9 | 166.1 | 178.7 | 83.2 | 0 | 0 | 0 | 0 | 111.5 | Q81 K85 S86 | Q81-T83 WeakPolarHBondContact CG-O 3.15Å; Q81-T83 PolarHBondContact NE2-O 3.39Å; T83-K85 PolarHBondContact O-N 3.37Å; T83-K85 PolarHBondContact OG1-N 2.84Å; T83-K85 VanDerWaalsContact OG1-N 3.1Å; T83-S86 PolarHBondContact OG1-N 3.31Å; T83-S86 PolarHBondContact OG1-OG 3.08Å |
| 84 | S | 89.1 | Confident | 89.8 | Confident | 50 Ų | 50 | 32.1 Ų | 32.1 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -79 | 1.5 | 170.6 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | S111 V112 | S84-S111 CarbonylContact O-C 3.56Å; S84-S111 VanDerWaalsContact O-CA 3.26Å; S84-S111 WeakPolarHBondContact O-CA 3.37Å; S84-V112 PolarHBondContact O-N 3.38Å |
| 85 | K | 89.9 | Confident | 88.9 | Confident | 110 Ų | 110 | 36.6 Ų | 36.6 | 48% | 0.478 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -124.5 | -13.4 | -173.2 | -63.4 | -165.9 | 176.8 | -161 | 0 | 114.4 | T83 E104 C105 K108 | T83-K85 PolarHBondContact O-N 3.37Å; T83-K85 PolarHBondContact OG1-N 2.84Å; T83-K85 VanDerWaalsContact OG1-N 3.1Å; K85-E104 WeakPolarHBondContact O-CA 3.32Å; K85-C105 PolarHBondContact O-N 3.34Å; K85-C105 PolarHBondContact O-SG 3.2Å; K85-C105 VanDerWaalsContact O-SG 3.39Å; K85-K108 PolarHBondContact NZ-O 3.02Å |
| 86 | S | 91.6 | Very high | 87.9 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.7 | -173.8 | 68 | 0 | 0 | 0 | 0 | 112.4 | T83 Q103 | T83-S86 PolarHBondContact OG1-N 3.31Å; T83-S86 PolarHBondContact OG1-OG 3.08Å; S86-Q103 CarbonylContact C-O 3.57Å; S86-Q103 WeakPolarHBondContact CA-O 3.44Å; S86-Q103 WeakPolarHBondContact CB-O 3.4Å |
| 87 | V | 94.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.3 | 172.8 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | A79 Q81 F89 Q103 F115 F125 | A79-V87 HydrophobicContact CB-CG1 3.96Å; Q81-V87 HydrophobicContact CB-CG2 4.43Å; V87-F89 HydrophobicContact CB-CE2 4.17Å; V87-F89 HydrophobicContact CB-CZ 4.37Å; V87-F89 HydrophobicContact CG1-CE2 4.09Å; V87-F89 HydrophobicContact CG1-CZ 4.01Å; V87-F89 WeakPolarHBondContact O-CE2 3.45Å; V87-Q103 PolarHBondContact N-O 3.23Å; V87-Q103 PolarHBondContact O-N 2.96Å; V87-F115 HydrophobicContact CG1-CD1 4.21Å; V87-F115 HydrophobicContact CG1-CE1 4.17Å; V87-F115 HydrophobicContact CG2-CD1 4.15Å; V87-F125 HydrophobicContact CB-CE1 4.08Å; V87-F125 HydrophobicContact CB-CE2 4.29Å; V87-F125 HydrophobicContact CB-CZ 3.64Å; V87-F125 HydrophobicContact CG1-CE1 4.39Å; V87-F125 HydrophobicContact CG1-CZ 4.34Å; V87-F125 HydrophobicContact CG2-CD1 4.43Å; V87-F125 HydrophobicContact CG2-CE1 3.89Å; V87-F125 HydrophobicContact CG2-CE2 4.06Å; V87-F125 HydrophobicContact CG2-CZ 3.69Å |
| 88 | D | 93.4 | Very high | 86 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 145.5 | 177.4 | -57.8 | -33.8 | 0 | 0 | 0 | 110 | A79 V80 R82 F101 T102 | A79-D88 CarbonylContact C-O 3.55Å; A79-D88 WeakPolarHBondContact CA-O 3.39Å; V80-D88 PolarHBondContact N-O 3.04Å; V80-D88 PolarHBondContact O-N 3.13Å; R82-D88 IonicContact CZ-OD2 2.92Å; R82-D88 IonicContact NH1-OD2 2.89Å; R82-D88 PolarHBondContact NH1-OD2 2.77Å; D88-F101 CarbonylContact C-O 3.57Å; D88-T102 WeakPolarHBondContact OD1-CB 3.49Å; D88-T102 WeakPolarHBondContact OD1-CG2 3.45Å; D88-T102 PolarHBondContact OD1-OG1 3.34Å |
| 89 | F | 93.9 | Very high | 85 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.2 | -177.2 | -65.7 | -90.6 | 0 | 0 | 0 | 110.9 | I77 L78 A79 V87 E100 F101 Q103 W117 I123 F125 V136 L143 | I77-F89 HydrophobicContact CG2-CB 4.47Å; I77-F89 HydrophobicContact CG2-CD1 4.04Å; L78-F89 CarbonylContact O-C 3.56Å; L78-F89 VanDerWaalsContact O-CA 3.27Å; L78-F89 WeakPolarHBondContact O-CA 3.42Å; A79-F89 HydrophobicContact CB-CD1 4.1Å; A79-F89 HydrophobicContact CB-CE1 3.88Å; V87-F89 HydrophobicContact CB-CE2 4.17Å; V87-F89 HydrophobicContact CB-CZ 4.37Å; V87-F89 HydrophobicContact CG1-CE2 4.09Å; V87-F89 HydrophobicContact CG1-CZ 4.01Å; V87-F89 WeakPolarHBondContact O-CE2 3.45Å; F89-E100 CarbonylContact O-C 3.58Å; F89-E100 VanDerWaalsContact O-CA 3.25Å; F89-E100 WeakPolarHBondContact O-CA 3.48Å; F89-F101 HydrophobicContact CB-CD1 4.08Å; F89-F101 HydrophobicContact CB-CD2 3.92Å; F89-F101 HydrophobicContact CB-CE1 3.69Å; F89-F101 HydrophobicContact CB-CE2 3.5Å; F89-F101 VanDerWaalsContact CB-CE2 3.5Å; F89-F101 HydrophobicContact CB-CG 4.2Å; F89-F101 HydrophobicContact CB-CZ 3.38Å; F89-F101 HydrophobicContact CD2-CD2 4.15Å; F89-F101 AromaticContact CD2-CE2 3.88Å; F89-F101 HydrophobicContact CD2-CE2 3.88Å; F89-F101 HydrophobicContact CG-CD2 4.32Å; F89-F101 AromaticContact CG-CE2 3.75Å; F89-F101 HydrophobicContact CG-CE2 3.75Å; F89-F101 AromaticContact CG-CZ 3.99Å; F89-F101 HydrophobicContact CG-CZ 3.99Å; F89-F101 PolarHBondContact N-O 3.08Å; F89-F101 PolarHBondContact O-N 3.23Å; F89-Q103 HydrophobicContact CE2-CB 3.82Å; F89-W117 HydrophobicContact CD1-CH2 4.19Å; F89-W117 HydrophobicContact CD1-CZ2 4.28Å; F89-W117 AromaticContact CE1-CH2 3.96Å; F89-W117 HydrophobicContact CE1-CH2 3.96Å; F89-W117 HydrophobicContact CE1-CZ2 4.05Å; F89-I123 HydrophobicContact CE1-CD1 3.75Å; F89-I123 HydrophobicContact CE1-CG2 4.42Å; F89-I123 HydrophobicContact CZ-CD1 3.99Å; F89-I123 HydrophobicContact CZ-CG2 4.38Å; F89-F125 HydrophobicContact CE2-CZ 4.08Å; F89-F125 AromaticContact CZ-CE1 3.99Å; F89-F125 HydrophobicContact CZ-CE1 3.99Å; F89-F125 AromaticContact CZ-CZ 3.79Å; F89-F125 HydrophobicContact CZ-CZ 3.79Å; F89-V136 HydrophobicContact CE1-CG2 4.19Å; F89-L143 HydrophobicContact CD2-CD1 4.07Å; F89-L143 HydrophobicContact CE1-CD2 4.28Å; F89-L143 HydrophobicContact CE2-CD1 3.9Å; F89-L143 HydrophobicContact CE2-CD2 3.76Å; F89-L143 HydrophobicContact CE2-CG 4.47Å; F89-L143 HydrophobicContact CZ-CD1 4.43Å; F89-L143 HydrophobicContact CZ-CD2 3.55Å |
| 90 | I | 91.6 | Very high | 84.6 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128 | 176.4 | -43.5 | -169.1 | 0 | 0 | 0 | 108.9 | M60 I77 L78 F92 H98 E100 | M60-I90 HydrophobicContact CE-CD1 3.34Å; M60-I90 HydrophobicContact CE-CG1 4.44Å; M60-I90 HydrophobicContact CG-CD1 4.21Å; M60-I90 HydrophobicContact SD-CD1 4.34Å; I77-I90 WeakPolarHBondContact CA-O 3.22Å; L78-I90 HydrophobicContact CB-CB 4.21Å; L78-I90 HydrophobicContact CD2-CD1 4.2Å; L78-I90 HydrophobicContact CD2-CG1 4.48Å; L78-I90 PolarHBondContact N-O 3.18Å; L78-I90 PolarHBondContact O-N 2.85Å; I90-F92 HydrophobicContact CB-CD2 4.46Å; I90-F92 HydrophobicContact CB-CE2 3.99Å; I90-F92 HydrophobicContact CG2-CD2 4.34Å; I90-F92 HydrophobicContact CG2-CE2 3.84Å; I90-H98 HydrophobicContact CG2-CB 4.43Å; I90-E100 HydrophobicContact CD1-CG 3.92Å; I90-E100 WeakPolarHBondContact CD1-OE1 3.43Å; I90-E100 HydrophobicContact CG1-CG 3.93Å |
| 91 | N | 89.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 132.2 | 176.6 | -66.5 | -25.8 | 0 | 0 | 0 | 110.3 | H98 P138 | N91-H98 PolarHBondContact O-ND1 2.95Å; N91-P138 PolarHBondContact ND2-O 3.32Å |
| 92 | F | 86.6 | Confident | 84.3 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | trans | -115.5 | 19.8 | 173.2 | -81 | -97.8 | 0 | 0 | 0 | 111.8 | F58 F71 K76 L78 I90 | F58-F92 HydrophobicContact CB-CE1 4.14Å; F58-F92 HydrophobicContact CB-CZ 4.36Å; F58-F92 AromaticContact CD1-CE1 3.84Å; F58-F92 HydrophobicContact CD1-CE1 3.84Å; F58-F92 AromaticContact CD1-CZ 3.88Å; F58-F92 HydrophobicContact CD1-CZ 3.88Å; F58-F92 HydrophobicContact CD2-CE1 4.18Å; F58-F92 AromaticContact CD2-CZ 3.57Å; F58-F92 HydrophobicContact CD2-CZ 3.57Å; F58-F92 HydrophobicContact CE1-CE1 4.25Å; F58-F92 AromaticContact CE1-CZ 3.98Å; F58-F92 HydrophobicContact CE1-CZ 3.98Å; F58-F92 HydrophobicContact CE2-CE2 4.38Å; F58-F92 AromaticContact CE2-CZ 3.66Å; F58-F92 HydrophobicContact CE2-CZ 3.66Å; F58-F92 AromaticContact CG-CE1 3.8Å; F58-F92 HydrophobicContact CG-CE1 3.8Å; F58-F92 AromaticContact CG-CZ 3.67Å; F58-F92 HydrophobicContact CG-CZ 3.67Å; F58-F92 HydrophobicContact CZ-CE2 4.48Å; F58-F92 AromaticContact CZ-CZ 3.87Å; F58-F92 HydrophobicContact CZ-CZ 3.87Å; F71-F92 HydrophobicContact CE1-CB 4.5Å; F71-F92 HydrophobicContact CE1-CD1 4.48Å; F71-F92 AromaticContact CE1-CD2 3.72Å; F71-F92 HydrophobicContact CE1-CD2 3.72Å; F71-F92 HydrophobicContact CE1-CE2 4Å; F71-F92 AromaticContact CE1-CG 3.98Å; F71-F92 HydrophobicContact CE1-CG 3.98Å; F71-F92 HydrophobicContact CZ-CD1 4.49Å; F71-F92 HydrophobicContact CZ-CD2 4.32Å; F71-F92 HydrophobicContact CZ-CE1 4.45Å; F71-F92 HydrophobicContact CZ-CE2 4.29Å; F71-F92 HydrophobicContact CZ-CG 4.42Å; F71-F92 HydrophobicContact CZ-CZ 4.36Å; K76-F92 WeakPolarHBondContact O-CA 3.43Å; K76-F92 PolarHBondContact O-N 3.18Å; L78-F92 HydrophobicContact CB-CD2 3.92Å; L78-F92 HydrophobicContact CB-CE2 3.62Å; L78-F92 HydrophobicContact CD2-CE2 3.92Å; L78-F92 HydrophobicContact CD2-CZ 4.41Å; L78-F92 HydrophobicContact CG-CE2 4.39Å; I90-F92 HydrophobicContact CB-CD2 4.46Å; I90-F92 HydrophobicContact CB-CE2 3.99Å; I90-F92 HydrophobicContact CG2-CD2 4.34Å; I90-F92 HydrophobicContact CG2-CE2 3.84Å | ||
| 93 | I | 81.9 | Confident | 84.5 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | trans | -83.5 | 128.5 | 177 | -58.9 | 169.9 | 0 | 0 | 0 | 108 | K76 D95 Y96 P138 | K76-I93 HydrophobicContact CB-CD1 4.43Å; K76-I93 HydrophobicContact CB-CG1 4Å; I93-D95 PolarHBondContact O-N 3.43Å; I93-Y96 HydrophobicContact CB-CD2 3.87Å; I93-Y96 HydrophobicContact CD1-CD2 4.18Å; I93-Y96 HydrophobicContact CG2-CD2 3.73Å; I93-Y96 HydrophobicContact CG2-CE2 4.24Å; I93-Y96 PolarHBondContact O-N 2.9Å; I93-P138 HydrophobicContact CD1-CB 4.11Å; I93-P138 HydrophobicContact CD1-CG 4.04Å | ||
| 94 | P | 72.8 | Confident | 84.6 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 84% | 0.838 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -25.8 | -172.5 | -28.9 | 34.9 | 0 | 0 | 0 | 116.1 | ||
| 95 | D | 68.2 | Low | 84.5 | Confident | 146 Ų | 146 | 54.9 Ų | 54.9 | 78% | 0.781 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -6.2 | -176.7 | -56.9 | -44.7 | 0 | 0 | 0 | 114.1 | I93 | I93-D95 PolarHBondContact O-N 3.43Š|
| 96 | Y | 67.3 | Low | 84.3 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 31% | 0.306 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -112 | 140.3 | -177.5 | -71.9 | -72.4 | 0 | 0 | 0 | 111.9 | I93 D139 | I93-Y96 HydrophobicContact CB-CD2 3.87Å; I93-Y96 HydrophobicContact CD1-CD2 4.18Å; I93-Y96 HydrophobicContact CG2-CD2 3.73Å; I93-Y96 HydrophobicContact CG2-CE2 4.24Å; I93-Y96 PolarHBondContact O-N 2.9Å; Y96-D139 HydrophobicContact CE1-CB 3.82Å; Y96-D139 WeakPolarHBondContact CE2-OD1 3.26Å; Y96-D139 PolarHBondContact OH-OD1 3.5Å; Y96-D139 PolarHBondContact OH-OD2 2.68Å |
| 97 | P | 69.5 | Low | 83.9 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | trans | -60.9 | 142.7 | 172.1 | 25.8 | -32.8 | 0 | 0 | 0 | 110.2 | T99 R141 | P97-T99 HydrophobicContact CB-CG2 4.5Å; P97-T99 PolarHBondContact O-N 3.37Å; P97-T99 PolarHBondContact O-OG1 3.47Å; P97-R141 VanDerWaalsContact CG-NH2 3.33Å | ||
| 98 | H | 71.9 | Confident | 83.1 | Confident | 125 Ų | 125 | 67.3 Ų | 67.3 | 58% | 0.579 | 34% | 0.343 | S | S | * | . | trans | -69.3 | 38.9 | 173.8 | -64.8 | -70.3 | 0 | 0 | 0 | 112.9 | I90 N91 | I90-H98 HydrophobicContact CG2-CB 4.43Å; N91-H98 PolarHBondContact O-ND1 2.95Å | ||
| 99 | T | 74.2 | Confident | 82.7 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | trans | -75.7 | 128.8 | 176.9 | 30.3 | 0 | 0 | 0 | 0 | 110.9 | P97 R141 | P97-T99 HydrophobicContact CB-CG2 4.5Å; P97-T99 PolarHBondContact O-N 3.37Å; P97-T99 PolarHBondContact O-OG1 3.47Å; T99-R141 PolarHBondContact OG1-NE 2.95Å; T99-R141 PolarHBondContact OG1-NH2 3.47Å | ||
| 100 | E | 84.5 | Confident | 82.5 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 142.5 | 175.3 | -51.8 | -165.7 | 150.3 | 0 | 0 | 111.3 | K63 R82 F89 I90 | K63-E100 IonicContact NZ-OE2 2.72Å; K63-E100 PolarHBondContact NZ-OE2 3.35Å; R82-E100 IonicContact NH1-OE1 3.94Å; R82-E100 IonicContact NH1-OE2 3.76Å; R82-E100 IonicContact NH2-OE1 2.67Å; F89-E100 CarbonylContact O-C 3.58Å; F89-E100 VanDerWaalsContact O-CA 3.25Å; F89-E100 WeakPolarHBondContact O-CA 3.48Å; I90-E100 HydrophobicContact CD1-CG 3.92Å; I90-E100 WeakPolarHBondContact CD1-OE1 3.43Å; I90-E100 HydrophobicContact CG1-CG 3.93Å |
| 101 | F | 90.9 | Very high | 82.6 | Confident | 18 Ų | 18 | 74.8 Ų | 74.8 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.7 | 167.5 | 60.9 | -84.7 | 0 | 0 | 0 | 110.8 | D88 F89 V136 R141 L143 | D88-F101 CarbonylContact C-O 3.57Å; F89-F101 HydrophobicContact CB-CD1 4.08Å; F89-F101 HydrophobicContact CB-CD2 3.92Å; F89-F101 HydrophobicContact CB-CE1 3.69Å; F89-F101 HydrophobicContact CB-CE2 3.5Å; F89-F101 VanDerWaalsContact CB-CE2 3.5Å; F89-F101 HydrophobicContact CB-CG 4.2Å; F89-F101 HydrophobicContact CB-CZ 3.38Å; F89-F101 HydrophobicContact CD2-CD2 4.15Å; F89-F101 AromaticContact CD2-CE2 3.88Å; F89-F101 HydrophobicContact CD2-CE2 3.88Å; F89-F101 HydrophobicContact CG-CD2 4.32Å; F89-F101 AromaticContact CG-CE2 3.75Å; F89-F101 HydrophobicContact CG-CE2 3.75Å; F89-F101 AromaticContact CG-CZ 3.99Å; F89-F101 HydrophobicContact CG-CZ 3.99Å; F89-F101 PolarHBondContact N-O 3.08Å; F89-F101 PolarHBondContact O-N 3.23Å; F101-V136 HydrophobicContact CE2-CG1 4.22Å; F101-V136 HydrophobicContact CZ-CG1 3.9Å; F101-R141 HydrophobicContact CB-CB 4.07Å; F101-R141 HydrophobicContact CD1-CB 3.86Å; F101-R141 HydrophobicContact CD1-CG 4.22Å; F101-R141 WeakPolarHBondContact CD2-O 3.42Å; F101-R141 HydrophobicContact CE1-CB 4.43Å; F101-R141 HydrophobicContact CG-CB 3.91Å; F101-L143 HydrophobicContact CD2-CD1 4.03Å; F101-L143 HydrophobicContact CE2-CD1 3.6Å |
| 102 | T | 91.6 | Very high | 82.8 | Confident | 76 Ų | 76 | 75.1 Ų | 75.1 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.8 | -170.5 | -56.5 | 0 | 0 | 0 | 0 | 111 | D88 | D88-T102 WeakPolarHBondContact OD1-CB 3.49Å; D88-T102 WeakPolarHBondContact OD1-CG2 3.45Å; D88-T102 PolarHBondContact OD1-OG1 3.34Å |
| 103 | Q | 93 | Very high | 83.1 | Confident | 43 Ų | 43 | 76.2 Ų | 76.2 | 20% | 0.201 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.1 | 168.2 | -175.4 | 59.1 | 53.5 | 0 | 0 | 109.9 | S86 V87 F89 F125 L143 | S86-Q103 CarbonylContact C-O 3.57Å; S86-Q103 WeakPolarHBondContact CA-O 3.44Å; S86-Q103 WeakPolarHBondContact CB-O 3.4Å; V87-Q103 PolarHBondContact N-O 3.23Å; V87-Q103 PolarHBondContact O-N 2.96Å; F89-Q103 HydrophobicContact CE2-CB 3.82Å; Q103-F125 HydrophobicContact CB-CE2 4.05Å; Q103-F125 HydrophobicContact CB-CZ 4.1Å; Q103-F125 HydrophobicContact CG-CE2 3.73Å; Q103-F125 HydrophobicContact CG-CZ 4.14Å; Q103-L143 HydrophobicContact CB-CD1 3.84Å; Q103-L143 HydrophobicContact CB-CD2 4.12Å; Q103-L143 HydrophobicContact CG-CB 4.49Å; Q103-L143 HydrophobicContact CG-CD1 4.28Å; Q103-L143 HydrophobicContact CG-CD2 4.09Å |
| 104 | E | 91.4 | Very high | 83.7 | Confident | 139 Ų | 139 | 74.9 Ų | 74.9 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 152.5 | 168.9 | -62.9 | -173 | 167.6 | 0 | 0 | 111.2 | K85 | K85-E104 WeakPolarHBondContact O-CA 3.32Å |
| 105 | C | 86.6 | Confident | 84.8 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 10% | 0.095 | 35% | 0.349 | C | S | . | . | trans | -55.5 | 142.6 | 170.2 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | K85 T107 V112 | K85-C105 PolarHBondContact O-N 3.34Å; K85-C105 PolarHBondContact O-SG 3.2Å; K85-C105 VanDerWaalsContact O-SG 3.39Å; C105-T107 PolarHBondContact O-N 3.05Å; C105-V112 WeakPolarHBondContact SG-CG2 3.3Å | ||
| 106 | K | 85.1 | Confident | 86.1 | Confident | 137 Ų | 137 | 61.8 Ų | 61.8 | 60% | 0.596 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -59.6 | -36.4 | 174 | -176.1 | -173.8 | 178.7 | -179.1 | 0 | 111.5 | E132 L145 | K106-E132 WeakPolarHBondContact CB-OE1 3.07Å; K106-E132 PolarHBondContact N-OE1 3.44Å; K106-E132 VanDerWaalsContact N-OE1 3.14Å; K106-E132 PolarHBondContact N-OE2 3.27Å; K106-L145 HydrophobicContact CD-CD2 3.89Å |
| 107 | T | 82.8 | Confident | 87.4 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -94.8 | 113.3 | -177.6 | -51.9 | 0 | 0 | 0 | 0 | 110.5 | C105 N109 A110 | C105-T107 PolarHBondContact O-N 3.05Å; T107-N109 PolarHBondContact O-N 3.47Å; T107-A110 HydrophobicContact CG2-CB 4.02Å; T107-A110 WeakPolarHBondContact O-CB 3.49Å; T107-A110 PolarHBondContact O-N 2.65Å |
| 108 | K | 79.3 | Confident | 88.5 | Confident | 183 Ų | 183 | 55.9 Ų | 55.9 | 80% | 0.796 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.2 | -174.3 | -65 | -173.9 | 177.3 | -175.9 | 0 | 115.3 | K85 | K85-K108 PolarHBondContact NZ-O 3.02Š|
| 109 | N | 84.9 | Confident | 89.5 | Confident | 144 Ų | 144 | 51.4 Ų | 51.4 | 77% | 0.77 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -4 | -178.5 | -66.7 | -8.1 | 0 | 0 | 0 | 113.4 | T107 | T107-N109 PolarHBondContact O-N 3.47Š|
| 110 | A | 89.1 | Confident | 90.3 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | trans | -81.1 | 148.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T107 T127 D128 Q129 | T107-A110 HydrophobicContact CG2-CB 4.02Å; T107-A110 WeakPolarHBondContact O-CB 3.49Å; T107-A110 PolarHBondContact O-N 2.65Å; A110-T127 HydrophobicContact CB-CG2 4.39Å; A110-D128 VanDerWaalsContact CA-OD1 3.29Å; A110-D128 WeakPolarHBondContact CA-OD1 3.42Å; A110-Q129 HydrophobicContact CB-CB 4.1Å; A110-Q129 HydrophobicContact CB-CG 4.01Å | ||
| 111 | S | 92.8 | Very high | 90.7 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | trans | -112.2 | 132.6 | 174 | 66 | 0 | 0 | 0 | 0 | 110.9 | S84 L113 T127 D128 | S84-S111 CarbonylContact O-C 3.56Å; S84-S111 VanDerWaalsContact O-CA 3.26Å; S84-S111 WeakPolarHBondContact O-CA 3.37Å; S111-L113 PolarHBondContact O-N 3.39Å; S111-T127 CarbonylContact O-C 3.58Å; S111-T127 WeakPolarHBondContact O-CA 3.47Å; S111-T127 WeakPolarHBondContact O-CB 3.43Å; S111-D128 PolarHBondContact N-OD1 3.14Å; S111-D128 PolarHBondContact N-OD2 3Å; S111-D128 PolarHBondContact O-N 3.4Å; S111-D128 PolarHBondContact OG-OD2 3.03Å | ||
| 112 | V | 94.3 | Very high | 90.9 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 113.5 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | Q81 S84 C105 T127 | Q81-V112 PolarHBondContact NE2-O 3.07Å; S84-V112 PolarHBondContact O-N 3.38Å; C105-V112 WeakPolarHBondContact SG-CG2 3.3Å; V112-T127 HydrophobicContact CG2-CG2 4.47Å |
| 113 | L | 93.9 | Very high | 91.1 | Very high | 67 Ų | 67 | 49 Ų | 49 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -36.4 | 169.7 | -60.1 | 179.2 | 0 | 0 | 0 | 110.5 | S111 I126 V153 Y156 | S111-L113 PolarHBondContact O-N 3.39Å; L113-I126 HydrophobicContact CB-CG2 4.48Å; L113-I126 HydrophobicContact CD1-CG2 4.37Å; L113-I126 PolarHBondContact N-O 2.99Å; L113-V153 HydrophobicContact CD1-CB 4.03Å; L113-V153 HydrophobicContact CD1-CG1 3.73Å; L113-Y156 HydrophobicContact CB-CD1 4.22Å; L113-Y156 HydrophobicContact CB-CE1 4.1Å |
| 114 | G | 94.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | -170.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I126 Y156 | G114-I126 PolarHBondContact N-O 3.5Å; G114-I126 PolarHBondContact O-N 2.81Å; G114-Y156 WeakPolarHBondContact CA-OH 3.48Å |
| 115 | F | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.6 | -179.8 | 64.1 | -92.4 | 0 | 0 | 0 | 112.3 | C68 K70 A79 Q81 V87 I123 V124 F125 | C68-F115 HydrophobicContact CB-CE1 3.88Å; C68-F115 HydrophobicContact CB-CZ 4.49Å; K70-F115 HydrophobicContact CB-CE2 3.85Å; K70-F115 HydrophobicContact CB-CZ 4.33Å; K70-F115 HydrophobicContact CD-CE2 4.25Å; K70-F115 HydrophobicContact CG-CE2 4.12Å; K70-F115 HydrophobicContact CG-CZ 4.36Å; K70-F115 PolarHBondContact NZ-O 3.41Å; A79-F115 HydrophobicContact CB-CD2 4.13Å; A79-F115 HydrophobicContact CB-CE2 3.43Å; A79-F115 VanDerWaalsContact CB-CE2 3.43Å; A79-F115 HydrophobicContact CB-CZ 3.68Å; A79-F115 WeakPolarHBondContact O-CZ 3.45Å; Q81-F115 HydrophobicContact CB-CD1 4.31Å; Q81-F115 HydrophobicContact CB-CE1 3.85Å; V87-F115 HydrophobicContact CG1-CD1 4.21Å; V87-F115 HydrophobicContact CG1-CE1 4.17Å; V87-F115 HydrophobicContact CG2-CD1 4.15Å; F115-I123 HydrophobicContact CB-CD1 4.24Å; F115-I123 HydrophobicContact CB-CG1 4.35Å; F115-I123 HydrophobicContact CD2-CD1 3.65Å; F115-I123 HydrophobicContact CD2-CG1 4.32Å; F115-I123 HydrophobicContact CE2-CD1 4.34Å; F115-I123 HydrophobicContact CG-CD1 4.16Å; F115-V124 WeakPolarHBondContact CA-O 3.46Å; F115-V124 WeakPolarHBondContact CB-O 3.49Å; F115-F125 HydrophobicContact CB-CD1 3.88Å; F115-F125 HydrophobicContact CB-CE1 4.33Å |
| 116 | C | 95.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.9 | 179.3 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | V124 Y158 I165 | C116-V124 PolarHBondContact N-O 2.74Å; C116-V124 PolarHBondContact O-N 2.87Å; C116-Y158 HydrophobicContact CB-CD1 3.78Å; C116-Y158 HydrophobicContact CB-CD2 4.32Å; C116-Y158 HydrophobicContact CB-CE1 3.96Å; C116-Y158 HydrophobicContact CB-CE2 4.49Å; C116-Y158 HydrophobicContact CB-CG 3.98Å; C116-I165 HydrophobicContact CB-CD1 4.25Å |
| 117 | W | 94.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.4 | 171 | -70.5 | 104.3 | 0 | 0 | 0 | 110 | K70 F71 S72 I77 A79 F89 I123 V136 Y158 | K70-W117 PolarHBondContact O-NE1 3.11Å; F71-W117 PolarHBondContact O-NE1 3.46Å; S72-W117 VanDerWaalsContact CB-CE3 3.45Å; I77-W117 HydrophobicContact CB-CH2 3.87Å; I77-W117 HydrophobicContact CB-CZ2 4.21Å; I77-W117 HydrophobicContact CD1-CH2 4.25Å; I77-W117 HydrophobicContact CG2-CH2 3.82Å; I77-W117 HydrophobicContact CG2-CZ2 4.13Å; A79-W117 HydrophobicContact CB-CZ2 3.67Å; F89-W117 HydrophobicContact CD1-CH2 4.19Å; F89-W117 HydrophobicContact CD1-CZ2 4.28Å; F89-W117 AromaticContact CE1-CH2 3.96Å; F89-W117 HydrophobicContact CE1-CH2 3.96Å; F89-W117 HydrophobicContact CE1-CZ2 4.05Å; W117-I123 HydrophobicContact CD2-CB 4.23Å; W117-I123 HydrophobicContact CD2-CD1 4.09Å; W117-I123 HydrophobicContact CD2-CG1 4.24Å; W117-I123 HydrophobicContact CE3-CB 3.84Å; W117-I123 HydrophobicContact CE3-CD1 4.43Å; W117-I123 HydrophobicContact CE3-CG1 4.36Å; W117-I123 HydrophobicContact CH2-CB 4.41Å; W117-I123 HydrophobicContact CH2-CD1 4.22Å; W117-I123 HydrophobicContact CZ2-CD1 3.88Å; W117-I123 HydrophobicContact CZ3-CB 3.93Å; W117-I123 HydrophobicContact CZ3-CD1 4.48Å; W117-V136 HydrophobicContact CH2-CG2 3.93Å; W117-V136 HydrophobicContact CZ3-CG2 3.86Å; W117-Y158 PolarHBondContact O-OH 3.21Å |
| 118 | T | 92.8 | Very high | 93 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -98.1 | -19.2 | 175.6 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | E122 V124 F181 | T118-E122 PolarHBondContact N-O 3.42Å; T118-E122 VanDerWaalsContact OG1-CB 3.24Å; T118-E122 WeakPolarHBondContact OG1-CB 3.33Å; T118-E122 PolarHBondContact OG1-O 3.04Å; T118-E122 PolarHBondContact OG1-OE2 2.91Å; T118-V124 HydrophobicContact CG2-CG2 3.71Å; T118-F181 HydrophobicContact CG2-CB 3.72Å; T118-F181 HydrophobicContact CG2-CD1 4.19Å; T118-F181 HydrophobicContact CG2-CD2 4.13Å; T118-F181 HydrophobicContact CG2-CG 3.74Å |
| 119 | S | 92.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 27.1 Ų | 27.1 | 22% | 0.224 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -151 | -175.6 | 176.6 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | N121 E122 | S119-N121 PolarHBondContact O-N 3.02Å; S119-E122 PolarHBondContact N-O 3Å |
| 120 | W | 91.7 | Very high | 94 | Very high | 101 Ų | 101 | 20.4 Ų | 20.4 | 38% | 0.383 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -68 | -22.3 | 176.8 | 72.5 | -88.3 | 0 | 0 | 0 | 113.6 | S72 I73 K76 | S72-W120 WeakPolarHBondContact CB-O 3.22Å; S72-W120 PolarHBondContact OG-O 3.33Å; I73-W120 WeakPolarHBondContact O-CA 3.3Å; I73-W120 WeakPolarHBondContact O-CB 3.11Å; K76-W120 HydrophobicContact CD-CD2 4.41Å; K76-W120 HydrophobicContact CD-CE3 3.79Å; K76-W120 HydrophobicContact CD-CZ3 4.44Å |
| 121 | N | 93 | Very high | 94.3 | Very high | 19 Ų | 19 | 20.4 Ų | 20.4 | 10% | 0.102 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -133.4 | 14.2 | 179.4 | 66.3 | -21.4 | 0 | 0 | 0 | 113.8 | S119 V136 | S119-N121 PolarHBondContact O-N 3.02Å; N121-V136 PolarHBondContact O-N 3.41Å |
| 122 | E | 94.8 | Very high | 94.5 | Very high | 17 Ų | 17 | 18.8 Ų | 18.8 | 8% | 0.079 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.5 | -179.6 | -63.3 | 177.8 | 175.9 | 0 | 0 | 109.5 | T118 S119 F133 G184 | T118-E122 PolarHBondContact N-O 3.42Å; T118-E122 VanDerWaalsContact OG1-CB 3.24Å; T118-E122 WeakPolarHBondContact OG1-CB 3.33Å; T118-E122 PolarHBondContact OG1-O 3.04Å; T118-E122 PolarHBondContact OG1-OE2 2.91Å; S119-E122 PolarHBondContact N-O 3Å; E122-F133 HydrophobicContact CB-CE2 3.93Å; E122-F133 HydrophobicContact CB-CZ 4.25Å; E122-F133 HydrophobicContact CG-CZ 4.42Å; E122-G184 VanDerWaalsContact OE1-CA 3.25Å; E122-G184 WeakPolarHBondContact OE1-CA 3.48Å; E122-G184 PolarHBondContact OE1-N 2.92Å; E122-G184 PolarHBondContact OE2-N 3.13Å |
| 123 | I | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.3 | -174.9 | -169.4 | 167.3 | 0 | 0 | 0 | 110.7 | A79 F89 F115 W117 F125 Y134 V136 L143 | A79-I123 HydrophobicContact CB-CD1 4.02Å; F89-I123 HydrophobicContact CE1-CD1 3.75Å; F89-I123 HydrophobicContact CE1-CG2 4.42Å; F89-I123 HydrophobicContact CZ-CD1 3.99Å; F89-I123 HydrophobicContact CZ-CG2 4.38Å; F115-I123 HydrophobicContact CB-CD1 4.24Å; F115-I123 HydrophobicContact CB-CG1 4.35Å; F115-I123 HydrophobicContact CD2-CD1 3.65Å; F115-I123 HydrophobicContact CD2-CG1 4.32Å; F115-I123 HydrophobicContact CE2-CD1 4.34Å; F115-I123 HydrophobicContact CG-CD1 4.16Å; W117-I123 HydrophobicContact CD2-CB 4.23Å; W117-I123 HydrophobicContact CD2-CD1 4.09Å; W117-I123 HydrophobicContact CD2-CG1 4.24Å; W117-I123 HydrophobicContact CE3-CB 3.84Å; W117-I123 HydrophobicContact CE3-CD1 4.43Å; W117-I123 HydrophobicContact CE3-CG1 4.36Å; W117-I123 HydrophobicContact CH2-CB 4.41Å; W117-I123 HydrophobicContact CH2-CD1 4.22Å; W117-I123 HydrophobicContact CZ2-CD1 3.88Å; W117-I123 HydrophobicContact CZ3-CB 3.93Å; W117-I123 HydrophobicContact CZ3-CD1 4.48Å; I123-F125 HydrophobicContact CD1-CD1 4.39Å; I123-F125 HydrophobicContact CD1-CE1 3.8Å; I123-F125 HydrophobicContact CG1-CD1 4.23Å; I123-F125 HydrophobicContact CG1-CE1 4.03Å; I123-F125 HydrophobicContact CG2-CE1 4.21Å; I123-Y134 PolarHBondContact N-O 2.92Å; I123-Y134 PolarHBondContact O-N 2.67Å; I123-V136 HydrophobicContact CB-CG2 4.45Å; I123-V136 HydrophobicContact CG2-CG2 3.67Å; I123-L143 HydrophobicContact CG2-CD2 4.01Å |
| 124 | V | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.3 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | F115 C116 T118 I126 I131 E132 F133 I165 F181 | F115-V124 WeakPolarHBondContact CA-O 3.46Å; F115-V124 WeakPolarHBondContact CB-O 3.49Å; C116-V124 PolarHBondContact N-O 2.74Å; C116-V124 PolarHBondContact O-N 2.87Å; T118-V124 HydrophobicContact CG2-CG2 3.71Å; V124-I126 HydrophobicContact CG1-CD1 4.34Å; V124-I131 HydrophobicContact CG1-CB 4.45Å; V124-E132 CarbonylContact C-O 3.57Å; V124-E132 WeakPolarHBondContact CA-O 3.34Å; V124-F133 HydrophobicContact CG2-CD2 3.58Å; V124-F133 HydrophobicContact CG2-CE2 4.11Å; V124-F133 HydrophobicContact CG2-CG 4.41Å; V124-I165 HydrophobicContact CB-CD1 3.91Å; V124-I165 HydrophobicContact CG1-CD1 3.78Å; V124-I165 HydrophobicContact CG2-CD1 4.14Å; V124-F181 HydrophobicContact CB-CZ 4.44Å; V124-F181 HydrophobicContact CG1-CE1 4.3Å; V124-F181 HydrophobicContact CG1-CZ 3.97Å; V124-F181 HydrophobicContact CG2-CD1 3.8Å; V124-F181 HydrophobicContact CG2-CE1 3.38Å; V124-F181 HydrophobicContact CG2-CE2 4.24Å; V124-F181 HydrophobicContact CG2-CG 4.38Å; V124-F181 HydrophobicContact CG2-CZ 3.64Å |
| 125 | F | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.6 | 168.2 | -66.3 | -1.1 | 0 | 0 | 0 | 109.1 | V87 F89 Q103 F115 I123 I131 E132 Y134 L143 | V87-F125 HydrophobicContact CB-CE1 4.08Å; V87-F125 HydrophobicContact CB-CE2 4.29Å; V87-F125 HydrophobicContact CB-CZ 3.64Å; V87-F125 HydrophobicContact CG1-CE1 4.39Å; V87-F125 HydrophobicContact CG1-CZ 4.34Å; V87-F125 HydrophobicContact CG2-CD1 4.43Å; V87-F125 HydrophobicContact CG2-CE1 3.89Å; V87-F125 HydrophobicContact CG2-CE2 4.06Å; V87-F125 HydrophobicContact CG2-CZ 3.69Å; F89-F125 HydrophobicContact CE2-CZ 4.08Å; F89-F125 AromaticContact CZ-CE1 3.99Å; F89-F125 HydrophobicContact CZ-CE1 3.99Å; F89-F125 AromaticContact CZ-CZ 3.79Å; F89-F125 HydrophobicContact CZ-CZ 3.79Å; Q103-F125 HydrophobicContact CB-CE2 4.05Å; Q103-F125 HydrophobicContact CB-CZ 4.1Å; Q103-F125 HydrophobicContact CG-CE2 3.73Å; Q103-F125 HydrophobicContact CG-CZ 4.14Å; F115-F125 HydrophobicContact CB-CD1 3.88Å; F115-F125 HydrophobicContact CB-CE1 4.33Å; I123-F125 HydrophobicContact CD1-CD1 4.39Å; I123-F125 HydrophobicContact CD1-CE1 3.8Å; I123-F125 HydrophobicContact CG1-CD1 4.23Å; I123-F125 HydrophobicContact CG1-CE1 4.03Å; I123-F125 HydrophobicContact CG2-CE1 4.21Å; F125-I131 WeakPolarHBondContact O-CA 3.29Å; F125-E132 HydrophobicContact CB-CB 4.28Å; F125-E132 PolarHBondContact N-O 3.29Å; F125-E132 PolarHBondContact O-N 2.94Å; F125-Y134 HydrophobicContact CB-CE2 4.46Å; F125-Y134 HydrophobicContact CD2-CD2 4.14Å; F125-Y134 AromaticContact CD2-CE2 3.68Å; F125-Y134 HydrophobicContact CD2-CE2 3.68Å; F125-Y134 HydrophobicContact CE2-CD2 4.37Å; F125-Y134 HydrophobicContact CE2-CE2 4.08Å; F125-Y134 HydrophobicContact CG-CD2 4.21Å; F125-Y134 HydrophobicContact CG-CE2 4.07Å; F125-L143 HydrophobicContact CZ-CD2 4.46Å |
| 126 | I | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.4 | 173.7 | -56.3 | 84.3 | 0 | 0 | 0 | 106.9 | L113 G114 V124 I131 V153 Y156 I165 L167 | L113-I126 HydrophobicContact CB-CG2 4.48Å; L113-I126 HydrophobicContact CD1-CG2 4.37Å; L113-I126 PolarHBondContact N-O 2.99Å; G114-I126 PolarHBondContact N-O 3.5Å; G114-I126 PolarHBondContact O-N 2.81Å; V124-I126 HydrophobicContact CG1-CD1 4.34Å; I126-I131 HydrophobicContact CG1-CG2 4.38Å; I126-V153 HydrophobicContact CG2-CG1 4.02Å; I126-Y156 HydrophobicContact CB-CD1 3.96Å; I126-Y156 HydrophobicContact CB-CE1 4.2Å; I126-Y156 HydrophobicContact CB-CG 4.22Å; I126-Y156 HydrophobicContact CD1-CD2 4.15Å; I126-Y156 HydrophobicContact CD1-CE2 4.02Å; I126-Y156 HydrophobicContact CG1-CD1 4.26Å; I126-Y156 HydrophobicContact CG1-CD2 4.12Å; I126-Y156 HydrophobicContact CG1-CE2 4.42Å; I126-Y156 HydrophobicContact CG1-CG 4.04Å; I126-Y156 HydrophobicContact CG2-CD1 3.68Å; I126-Y156 HydrophobicContact CG2-CE1 4.38Å; I126-Y156 HydrophobicContact CG2-CG 3.92Å; I126-I165 HydrophobicContact CD1-CD1 4.31Å; I126-L167 HydrophobicContact CG2-CD2 4.04Å |
| 127 | T | 95.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 161.6 | 178.2 | 69.9 | 0 | 0 | 0 | 0 | 110.3 | A110 S111 V112 Q129 G130 V153 | A110-T127 HydrophobicContact CB-CG2 4.39Å; S111-T127 CarbonylContact O-C 3.58Å; S111-T127 WeakPolarHBondContact O-CA 3.47Å; S111-T127 WeakPolarHBondContact O-CB 3.43Å; V112-T127 HydrophobicContact CG2-CG2 4.47Å; T127-Q129 PolarHBondContact O-N 3.14Å; T127-Q129 PolarHBondContact OG1-N 2.95Å; T127-G130 WeakPolarHBondContact CA-O 3.41Å; T127-G130 PolarHBondContact N-O 2.71Å; T127-G130 PolarHBondContact O-N 3.44Å; T127-G130 VanDerWaalsContact O-O 3.1Å; T127-G130 PolarHBondContact OG1-N 3.28Å; T127-G130 PolarHBondContact OG1-O 3.47Å; T127-V153 WeakPolarHBondContact O-CB 3.44Å; T127-V153 VanDerWaalsContact O-CG2 3.31Å; T127-V153 WeakPolarHBondContact O-CG2 3.45Å |
| 128 | D | 93.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 20.7 Ų | 20.7 | 19% | 0.193 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.9 | 171.2 | 58.3 | -4.5 | 0 | 0 | 0 | 114.2 | A110 S111 V153 | A110-D128 VanDerWaalsContact CA-OD1 3.29Å; A110-D128 WeakPolarHBondContact CA-OD1 3.42Å; S111-D128 PolarHBondContact N-OD1 3.14Å; S111-D128 PolarHBondContact N-OD2 3Å; S111-D128 PolarHBondContact O-N 3.4Å; S111-D128 PolarHBondContact OG-OD2 3.03Å; D128-V153 PolarHBondContact O-N 3.36Å |
| 129 | Q | 93.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 24.6 Ų | 24.6 | 38% | 0.383 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -0.5 | 179.5 | -58.5 | -56.6 | -32.8 | 0 | 0 | 114.6 | A110 T127 S150 I151 | A110-Q129 HydrophobicContact CB-CB 4.1Å; A110-Q129 HydrophobicContact CB-CG 4.01Å; T127-Q129 PolarHBondContact O-N 3.14Å; T127-Q129 PolarHBondContact OG1-N 2.95Å; Q129-S150 WeakPolarHBondContact O-CA 3.37Å; Q129-S150 PolarHBondContact O-OG 3.29Å; Q129-I151 CarbonylContact C-O 3.46Å; Q129-I151 PolarHBondContact O-N 3.46Å; Q129-I151 VanDerWaalsContact O-O 3.09Å |
| 130 | G | 93.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.6 | -162.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T127 Q149 I151 | T127-G130 WeakPolarHBondContact CA-O 3.41Å; T127-G130 PolarHBondContact N-O 2.71Å; T127-G130 PolarHBondContact O-N 3.44Å; T127-G130 VanDerWaalsContact O-O 3.1Å; T127-G130 PolarHBondContact OG1-N 3.28Å; T127-G130 PolarHBondContact OG1-O 3.47Å; G130-Q149 CarbonylContact C-O 3.48Å; G130-Q149 VanDerWaalsContact CA-O 3.28Å; G130-Q149 WeakPolarHBondContact CA-O 3.47Å; G130-I151 WeakPolarHBondContact CA-O 3.44Å; G130-I151 PolarHBondContact N-O 3.31Å |
| 131 | I | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 141.9 | 179.1 | 58.9 | 171.1 | 0 | 0 | 0 | 111.6 | V124 F125 I126 S148 Q149 L167 F179 F181 M186 | V124-I131 HydrophobicContact CG1-CB 4.45Å; F125-I131 WeakPolarHBondContact O-CA 3.29Å; I126-I131 HydrophobicContact CG1-CG2 4.38Å; I131-S148 VanDerWaalsContact O-CA 3.27Å; I131-S148 WeakPolarHBondContact O-CA 3.49Å; I131-S148 PolarHBondContact O-OG 3.38Å; I131-Q149 HydrophobicContact CD1-CB 4.3Å; I131-Q149 HydrophobicContact CG1-CB 3.84Å; I131-Q149 PolarHBondContact N-O 2.72Å; I131-Q149 PolarHBondContact O-N 3.47Å; I131-L167 HydrophobicContact CG2-CD1 3.54Å; I131-L167 HydrophobicContact CG2-CD2 4.16Å; I131-L167 HydrophobicContact CG2-CG 4.44Å; I131-F179 HydrophobicContact CD1-CB 4.25Å; I131-F179 HydrophobicContact CD1-CD1 3.54Å; I131-F179 HydrophobicContact CD1-CD2 3.71Å; I131-F179 HydrophobicContact CD1-CE1 3.69Å; I131-F179 HydrophobicContact CD1-CE2 3.84Å; I131-F179 HydrophobicContact CD1-CG 3.56Å; I131-F179 HydrophobicContact CD1-CZ 3.84Å; I131-F181 HydrophobicContact CD1-CZ 4.48Å; I131-M186 HydrophobicContact CD1-CE 3.96Å; I131-M186 HydrophobicContact CD1-SD 3.62Å; I131-M186 HydrophobicContact CG1-CE 4.48Å; I131-M186 HydrophobicContact CG1-SD 4.32Å |
| 132 | E | 95.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 116.8 | 178.6 | -53.7 | 179.6 | 173.7 | 0 | 0 | 108.7 | K106 V124 F125 Y134 L145 | K106-E132 WeakPolarHBondContact CB-OE1 3.07Å; K106-E132 PolarHBondContact N-OE1 3.44Å; K106-E132 VanDerWaalsContact N-OE1 3.14Å; K106-E132 PolarHBondContact N-OE2 3.27Å; V124-E132 CarbonylContact C-O 3.57Å; V124-E132 WeakPolarHBondContact CA-O 3.34Å; F125-E132 HydrophobicContact CB-CB 4.28Å; F125-E132 PolarHBondContact N-O 3.29Å; F125-E132 PolarHBondContact O-N 2.94Å; E132-Y134 HydrophobicContact CB-CD2 4.14Å; E132-Y134 HydrophobicContact CB-CE2 3.34Å; E132-Y134 HydrophobicContact CG-CE2 4.43Å; E132-Y134 WeakPolarHBondContact OE2-CE2 3.34Å; E132-Y134 PolarHBondContact OE2-OH 3.15Å; E132-L145 HydrophobicContact CB-CD1 4.12Å |
| 133 | F | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.4 | -177.3 | 179.9 | -141.1 | 0 | 0 | 0 | 110.4 | E122 V124 L146 K147 F181 G184 M186 | E122-F133 HydrophobicContact CB-CE2 3.93Å; E122-F133 HydrophobicContact CB-CZ 4.25Å; E122-F133 HydrophobicContact CG-CZ 4.42Å; V124-F133 HydrophobicContact CG2-CD2 3.58Å; V124-F133 HydrophobicContact CG2-CE2 4.11Å; V124-F133 HydrophobicContact CG2-CG 4.41Å; F133-L146 HydrophobicContact CD1-CB 3.77Å; F133-L146 HydrophobicContact CD1-CD1 3.85Å; F133-L146 HydrophobicContact CD1-CG 4.43Å; F133-L146 HydrophobicContact CE1-CB 4.19Å; F133-L146 HydrophobicContact CE1-CD1 3.46Å; F133-L146 VanDerWaalsContact CE1-CD1 3.46Å; F133-L146 HydrophobicContact CE1-CG 4.47Å; F133-L146 HydrophobicContact CE2-CD1 4.4Å; F133-L146 HydrophobicContact CG-CB 4.37Å; F133-L146 HydrophobicContact CG-CD1 4.47Å; F133-L146 HydrophobicContact CZ-CD1 3.77Å; F133-L146 WeakPolarHBondContact O-CB 3.4Å; F133-L146 PolarHBondContact O-N 3.36Å; F133-K147 WeakPolarHBondContact CB-O 3.27Å; F133-K147 PolarHBondContact N-O 3.25Å; F133-K147 PolarHBondContact O-N 2.95Å; F133-F181 HydrophobicContact CB-CE1 4.33Å; F133-F181 HydrophobicContact CD1-CD1 4.39Å; F133-F181 HydrophobicContact CD1-CE1 4.47Å; F133-F181 HydrophobicContact CD2-CD1 4.1Å; F133-F181 HydrophobicContact CD2-CE1 4.12Å; F133-F181 HydrophobicContact CE1-CD1 4.35Å; F133-F181 HydrophobicContact CE2-CD1 4.05Å; F133-F181 HydrophobicContact CG-CD1 4.26Å; F133-F181 HydrophobicContact CG-CE1 4.07Å; F133-F181 HydrophobicContact CZ-CD1 4.19Å; F133-G184 WeakPolarHBondContact CE1-O 3.48Å; F133-M186 HydrophobicContact CB-SD 4.18Å; F133-M186 HydrophobicContact CD1-CB 3.94Å; F133-M186 HydrophobicContact CE1-CB 4.41Å |
| 134 | Y | 95.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 148.4 | -172.9 | -66.8 | -83 | 0 | 0 | 0 | 112.4 | I123 F125 E132 L143 K144 L145 | I123-Y134 PolarHBondContact N-O 2.92Å; I123-Y134 PolarHBondContact O-N 2.67Å; F125-Y134 HydrophobicContact CB-CE2 4.46Å; F125-Y134 HydrophobicContact CD2-CD2 4.14Å; F125-Y134 AromaticContact CD2-CE2 3.68Å; F125-Y134 HydrophobicContact CD2-CE2 3.68Å; F125-Y134 HydrophobicContact CE2-CD2 4.37Å; F125-Y134 HydrophobicContact CE2-CE2 4.08Å; F125-Y134 HydrophobicContact CG-CD2 4.21Å; F125-Y134 HydrophobicContact CG-CE2 4.07Å; E132-Y134 HydrophobicContact CB-CD2 4.14Å; E132-Y134 HydrophobicContact CB-CE2 3.34Å; E132-Y134 HydrophobicContact CG-CE2 4.43Å; E132-Y134 WeakPolarHBondContact OE2-CE2 3.34Å; E132-Y134 PolarHBondContact OE2-OH 3.15Å; Y134-L143 HydrophobicContact CD1-CB 3.94Å; Y134-L143 HydrophobicContact CG-CB 4.34Å; Y134-L143 HydrophobicContact CG-CD2 4.15Å; Y134-K144 CarbonylContact C-O 3.59Å; Y134-K144 WeakPolarHBondContact CA-O 3.36Å; Y134-L145 HydrophobicContact CD1-CB 3.97Å; Y134-L145 HydrophobicContact CD1-CD1 3.96Å; Y134-L145 HydrophobicContact CD2-CD1 4.49Å; Y134-L145 HydrophobicContact CE1-CB 3.69Å; Y134-L145 HydrophobicContact CE1-CD1 3.52Å; Y134-L145 HydrophobicContact CE1-CG 4.18Å; Y134-L145 HydrophobicContact CE2-CD1 4.13Å; Y134-L145 HydrophobicContact CG-CD1 4.4Å |
| 135 | Q | 95.6 | Very high | 93.2 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.3 | 163.3 | -171.8 | 171.8 | 25.4 | 0 | 0 | 109.4 | F137 L143 K144 L146 | Q135-F137 HydrophobicContact CB-CE2 4.1Å; Q135-F137 HydrophobicContact CG-CE2 3.91Å; Q135-F137 HydrophobicContact CG-CZ 3.95Å; Q135-L143 CarbonylContact O-C 3.6Å; Q135-L143 VanDerWaalsContact O-CA 3.31Å; Q135-L143 WeakPolarHBondContact O-CA 3.4Å; Q135-K144 PolarHBondContact N-O 3.11Å; Q135-K144 PolarHBondContact O-N 3.46Å; Q135-L146 HydrophobicContact CB-CD1 3.99Å; Q135-L146 HydrophobicContact CB-CD2 4.05Å; Q135-L146 HydrophobicContact CB-CG 4.01Å |
| 136 | V | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130.1 | 179.4 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | I77 F89 F101 W117 N121 I123 P138 L143 | I77-V136 HydrophobicContact CD1-CB 4.17Å; I77-V136 HydrophobicContact CD1-CG1 3.9Å; F89-V136 HydrophobicContact CE1-CG2 4.19Å; F101-V136 HydrophobicContact CE2-CG1 4.22Å; F101-V136 HydrophobicContact CZ-CG1 3.9Å; W117-V136 HydrophobicContact CH2-CG2 3.93Å; W117-V136 HydrophobicContact CZ3-CG2 3.86Å; N121-V136 PolarHBondContact O-N 3.41Å; I123-V136 HydrophobicContact CB-CG2 4.45Å; I123-V136 HydrophobicContact CG2-CG2 3.67Å; V136-P138 WeakPolarHBondContact O-CD 3.3Å; V136-L143 HydrophobicContact CG1-CG 4.48Å; V136-L143 HydrophobicContact CG2-CD2 3.96Å; V136-L143 HydrophobicContact CG2-CG 4.13Å |
| 137 | F | 92.3 | Very high | 93.1 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 26% | 0.259 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 94.2 | 172.9 | -68.1 | -83.9 | 0 | 0 | 0 | 109.4 | Q135 D139 K140 R141 S142 K144 | Q135-F137 HydrophobicContact CB-CE2 4.1Å; Q135-F137 HydrophobicContact CG-CE2 3.91Å; Q135-F137 HydrophobicContact CG-CZ 3.95Å; F137-D139 VanDerWaalsContact C-N 3.28Å; F137-D139 PolarHBondContact O-N 3.01Å; F137-K140 HydrophobicContact CB-CB 4Å; F137-K140 HydrophobicContact CB-CD 4.45Å; F137-K140 HydrophobicContact CB-CG 4.4Å; F137-K140 PolarHBondContact O-N 3.31Å; F137-R141 PolarHBondContact O-N 3.29Å; F137-S142 PolarHBondContact N-O 2.92Å; F137-S142 PolarHBondContact O-N 2.99Å; F137-K144 HydrophobicContact CD2-CB 4.26Å; F137-K144 HydrophobicContact CE2-CB 3.63Å; F137-K144 HydrophobicContact CE2-CD 4.3Å |
| 138 | P | 86.9 | Confident | 93 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -44 | -178.9 | -29.4 | 37.4 | 0 | 0 | 0 | 113.3 | I77 N91 I93 V136 K140 R141 | I77-P138 HydrophobicContact CD1-CG 3.69Å; I77-P138 HydrophobicContact CG1-CG 4.26Å; N91-P138 PolarHBondContact ND2-O 3.32Å; I93-P138 HydrophobicContact CD1-CB 4.11Å; I93-P138 HydrophobicContact CD1-CG 4.04Å; V136-P138 WeakPolarHBondContact O-CD 3.3Å; P138-K140 VanDerWaalsContact C-N 3.34Å; P138-K140 PolarHBondContact O-N 2.99Å; P138-R141 PolarHBondContact O-N 3.06Å |
| 139 | D | 86.7 | Confident | 93 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 54% | 0.535 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -39 | -175.1 | -35.4 | -11.2 | 0 | 0 | 0 | 111.4 | Y96 F137 | Y96-D139 HydrophobicContact CE1-CB 3.82Å; Y96-D139 WeakPolarHBondContact CE2-OD1 3.26Å; Y96-D139 PolarHBondContact OH-OD1 3.5Å; Y96-D139 PolarHBondContact OH-OD2 2.68Å; F137-D139 VanDerWaalsContact C-N 3.28Å; F137-D139 PolarHBondContact O-N 3.01Å |
| 140 | K | 87.4 | Confident | 93 | Very high | 155 Ų | 155 | 53 Ų | 53 | 67% | 0.674 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -6.3 | 179.9 | -62.3 | -176.4 | 179.9 | -179.8 | 0 | 112.7 | F137 P138 S142 | F137-K140 HydrophobicContact CB-CB 4Å; F137-K140 HydrophobicContact CB-CD 4.45Å; F137-K140 HydrophobicContact CB-CG 4.4Å; F137-K140 PolarHBondContact O-N 3.31Å; P138-K140 VanDerWaalsContact C-N 3.34Å; P138-K140 PolarHBondContact O-N 2.99Å; K140-S142 WeakPolarHBondContact CB-OG 3.11Å; K140-S142 PolarHBondContact O-N 2.93Å; K140-S142 PolarHBondContact O-OG 3.45Å |
| 141 | R | 88.3 | Confident | 93 | Very high | 120 Ų | 120 | 54.4 Ų | 54.4 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 43.4 | -176.4 | -54.6 | 179.2 | -170.4 | 174.8 | 0.7 | 112.5 | P97 T99 F101 F137 P138 | P97-R141 VanDerWaalsContact CG-NH2 3.33Å; T99-R141 PolarHBondContact OG1-NE 2.95Å; T99-R141 PolarHBondContact OG1-NH2 3.47Å; F101-R141 HydrophobicContact CB-CB 4.07Å; F101-R141 HydrophobicContact CD1-CB 3.86Å; F101-R141 HydrophobicContact CD1-CG 4.22Å; F101-R141 WeakPolarHBondContact CD2-O 3.42Å; F101-R141 HydrophobicContact CE1-CB 4.43Å; F101-R141 HydrophobicContact CG-CB 3.91Å; F137-R141 PolarHBondContact O-N 3.29Å; P138-R141 PolarHBondContact O-N 3.06Å |
| 142 | S | 91.3 | Very high | 92.9 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 159.1 | -174.2 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | F137 K140 | F137-S142 PolarHBondContact N-O 2.92Å; F137-S142 PolarHBondContact O-N 2.99Å; K140-S142 WeakPolarHBondContact CB-OG 3.11Å; K140-S142 PolarHBondContact O-N 2.93Å; K140-S142 PolarHBondContact O-OG 3.45Å |
| 143 | L | 94.5 | Very high | 92.9 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 141 | 174.5 | -65.6 | 77.7 | 0 | 0 | 0 | 109.5 | F89 F101 Q103 I123 F125 Y134 Q135 V136 | F89-L143 HydrophobicContact CD2-CD1 4.07Å; F89-L143 HydrophobicContact CE1-CD2 4.28Å; F89-L143 HydrophobicContact CE2-CD1 3.9Å; F89-L143 HydrophobicContact CE2-CD2 3.76Å; F89-L143 HydrophobicContact CE2-CG 4.47Å; F89-L143 HydrophobicContact CZ-CD1 4.43Å; F89-L143 HydrophobicContact CZ-CD2 3.55Å; F101-L143 HydrophobicContact CD2-CD1 4.03Å; F101-L143 HydrophobicContact CE2-CD1 3.6Å; Q103-L143 HydrophobicContact CB-CD1 3.84Å; Q103-L143 HydrophobicContact CB-CD2 4.12Å; Q103-L143 HydrophobicContact CG-CB 4.49Å; Q103-L143 HydrophobicContact CG-CD1 4.28Å; Q103-L143 HydrophobicContact CG-CD2 4.09Å; I123-L143 HydrophobicContact CG2-CD2 4.01Å; F125-L143 HydrophobicContact CZ-CD2 4.46Å; Y134-L143 HydrophobicContact CD1-CB 3.94Å; Y134-L143 HydrophobicContact CG-CB 4.34Å; Y134-L143 HydrophobicContact CG-CD2 4.15Å; Q135-L143 CarbonylContact O-C 3.6Å; Q135-L143 VanDerWaalsContact O-CA 3.31Å; Q135-L143 WeakPolarHBondContact O-CA 3.4Å; V136-L143 HydrophobicContact CG1-CG 4.48Å; V136-L143 HydrophobicContact CG2-CD2 3.96Å; V136-L143 HydrophobicContact CG2-CG 4.13Å |
| 144 | K | 94.4 | Very high | 92.8 | Very high | 123 Ų | 123 | 61 Ų | 61 | 54% | 0.535 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122 | 170.6 | -175.2 | -177.2 | 176.9 | -175.8 | 0 | 108.8 | Y134 Q135 F137 L146 | Y134-K144 CarbonylContact C-O 3.59Å; Y134-K144 WeakPolarHBondContact CA-O 3.36Å; Q135-K144 PolarHBondContact N-O 3.11Å; Q135-K144 PolarHBondContact O-N 3.46Å; F137-K144 HydrophobicContact CD2-CB 4.26Å; F137-K144 HydrophobicContact CE2-CB 3.63Å; F137-K144 HydrophobicContact CE2-CD 4.3Å; K144-L146 PolarHBondContact O-N 3.37Å |
| 145 | L | 94.8 | Very high | 92.7 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 117.5 | 170.5 | -175.4 | 70.3 | 0 | 0 | 0 | 109.3 | K106 E132 Y134 | K106-L145 HydrophobicContact CD-CD2 3.89Å; E132-L145 HydrophobicContact CB-CD1 4.12Å; Y134-L145 HydrophobicContact CD1-CB 3.97Å; Y134-L145 HydrophobicContact CD1-CD1 3.96Å; Y134-L145 HydrophobicContact CD2-CD1 4.49Å; Y134-L145 HydrophobicContact CE1-CB 3.69Å; Y134-L145 HydrophobicContact CE1-CD1 3.52Å; Y134-L145 HydrophobicContact CE1-CG 4.18Å; Y134-L145 HydrophobicContact CE2-CD1 4.13Å; Y134-L145 HydrophobicContact CG-CD1 4.4Å |
| 146 | L | 94.5 | Very high | 92.7 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 30% | 0.298 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -48.6 | 175.8 | -63 | -179.3 | 0 | 0 | 0 | 110.8 | F133 Q135 K144 | F133-L146 HydrophobicContact CD1-CB 3.77Å; F133-L146 HydrophobicContact CD1-CD1 3.85Å; F133-L146 HydrophobicContact CD1-CG 4.43Å; F133-L146 HydrophobicContact CE1-CB 4.19Å; F133-L146 HydrophobicContact CE1-CD1 3.46Å; F133-L146 VanDerWaalsContact CE1-CD1 3.46Å; F133-L146 HydrophobicContact CE1-CG 4.47Å; F133-L146 HydrophobicContact CE2-CD1 4.4Å; F133-L146 HydrophobicContact CG-CB 4.37Å; F133-L146 HydrophobicContact CG-CD1 4.47Å; F133-L146 HydrophobicContact CZ-CD1 3.77Å; F133-L146 WeakPolarHBondContact O-CB 3.4Å; F133-L146 PolarHBondContact O-N 3.36Å; Q135-L146 HydrophobicContact CB-CD1 3.99Å; Q135-L146 HydrophobicContact CB-CD2 4.05Å; Q135-L146 HydrophobicContact CB-CG 4.01Å; K144-L146 PolarHBondContact O-N 3.37Å |
| 147 | K | 94.3 | Very high | 92.8 | Very high | 101 Ų | 101 | 62.3 Ų | 62.3 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 151.9 | -179.2 | -159.9 | 164.2 | 176.1 | -177.9 | 0 | 110.6 | F133 M186 | F133-K147 WeakPolarHBondContact CB-O 3.27Å; F133-K147 PolarHBondContact N-O 3.25Å; F133-K147 PolarHBondContact O-N 2.95Å; K147-M186 HydrophobicContact CB-CE 4.21Å; K147-M186 HydrophobicContact CB-SD 4.23Å; K147-M186 HydrophobicContact CD-CB 4.14Å; K147-M186 HydrophobicContact CD-CE 3.75Å; K147-M186 HydrophobicContact CD-SD 4.43Å; K147-M186 HydrophobicContact CG-CE 3.67Å; K147-M186 HydrophobicContact CG-SD 4.33Å; K147-M186 PolarHBondContact NZ-O 2.65Å |
| 148 | S | 94.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 60 Ų | 60 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 145.6 | 173 | 174.1 | 0 | 0 | 0 | 0 | 109.4 | I131 | I131-S148 VanDerWaalsContact O-CA 3.27Å; I131-S148 WeakPolarHBondContact O-CA 3.49Å; I131-S148 PolarHBondContact O-OG 3.38Å |
| 149 | Q | 94.4 | Very high | 93.3 | Very high | 64 Ų | 64 | 60 Ų | 60 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 117.2 | 175.9 | 176 | 66.3 | 63.2 | 0 | 0 | 108.5 | G130 I131 F179 M186 | G130-Q149 CarbonylContact C-O 3.48Å; G130-Q149 VanDerWaalsContact CA-O 3.28Å; G130-Q149 WeakPolarHBondContact CA-O 3.47Å; I131-Q149 HydrophobicContact CD1-CB 4.3Å; I131-Q149 HydrophobicContact CG1-CB 3.84Å; I131-Q149 PolarHBondContact N-O 2.72Å; I131-Q149 PolarHBondContact O-N 3.47Å; Q149-F179 HydrophobicContact CB-CE1 4.33Å; Q149-F179 HydrophobicContact CB-CZ 4.41Å; Q149-F179 HydrophobicContact CG-CE1 4.08Å; Q149-F179 HydrophobicContact CG-CZ 3.87Å; Q149-M186 HydrophobicContact CB-CE 3.89Å |
| 150 | S | 93.6 | Very high | 93.5 | Very high | 93 Ų | 93 | 57.3 Ų | 57.3 | 65% | 0.65 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 126 | 171.6 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | Q129 | Q129-S150 WeakPolarHBondContact O-CA 3.37Å; Q129-S150 PolarHBondContact O-OG 3.29Å |
| 151 | I | 93.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | trans | -162.1 | 136.3 | 177.8 | -171.2 | 163.8 | 0 | 0 | 0 | 107.8 | Q129 G130 V153 L167 T169 Q177 | Q129-I151 CarbonylContact C-O 3.46Å; Q129-I151 PolarHBondContact O-N 3.46Å; Q129-I151 VanDerWaalsContact O-O 3.09Å; G130-I151 WeakPolarHBondContact CA-O 3.44Å; G130-I151 PolarHBondContact N-O 3.31Å; I151-V153 HydrophobicContact CG2-CG2 4.05Å; I151-V153 WeakPolarHBondContact O-CG2 3.39Å; I151-V153 PolarHBondContact O-N 3.15Å; I151-L167 HydrophobicContact CG2-CD1 3.85Å; I151-T169 HydrophobicContact CD1-CG2 3.54Å; I151-T169 HydrophobicContact CG1-CG2 3.85Å; I151-Q177 HydrophobicContact CD1-CB 4.09Å; I151-Q177 HydrophobicContact CD1-CG 3.91Å | ||
| 152 | N | 93.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | trans | -68.9 | 127.6 | 175.9 | -175.6 | -76.5 | 0 | 0 | 0 | 109.8 | ||||
| 153 | V | 94.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | trans | -119 | 122.9 | -176.5 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | L113 I126 T127 D128 I151 W155 L167 | L113-V153 HydrophobicContact CD1-CB 4.03Å; L113-V153 HydrophobicContact CD1-CG1 3.73Å; I126-V153 HydrophobicContact CG2-CG1 4.02Å; T127-V153 WeakPolarHBondContact O-CB 3.44Å; T127-V153 VanDerWaalsContact O-CG2 3.31Å; T127-V153 WeakPolarHBondContact O-CG2 3.45Å; D128-V153 PolarHBondContact O-N 3.36Å; I151-V153 HydrophobicContact CG2-CG2 4.05Å; I151-V153 WeakPolarHBondContact O-CG2 3.39Å; I151-V153 PolarHBondContact O-N 3.15Å; V153-W155 WeakPolarHBondContact CG1-O 3.24Å; V153-L167 HydrophobicContact CG1-CB 4.42Å; V153-L167 HydrophobicContact CG1-CD2 4.14Å; V153-L167 HydrophobicContact CG2-CD1 3.99Å | ||
| 154 | N | 94.4 | Very high | 93.9 | Very high | 50 Ų | 50 | 49.6 Ų | 49.6 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -84.8 | -47.6 | 173 | -57.9 | -55.3 | 0 | 0 | 0 | 111.7 | S168 T170 L205 | N154-S168 PolarHBondContact N-O 3.28Å; N154-S168 PolarHBondContact ND2-OG 3.45Å; N154-T170 PolarHBondContact ND2-O 3.03Å; N154-L205 HydrophobicContact CB-CD1 4.03Å; N154-L205 HydrophobicContact CB-CD2 4.38Å |
| 155 | W | 94.9 | Very high | 94 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | trans | -156.9 | 166.8 | 178.8 | 54.5 | -101.2 | 0 | 0 | 0 | 108.9 | V153 S168 L176 L207 E209 I212 | V153-W155 WeakPolarHBondContact CG1-O 3.24Å; W155-S168 VanDerWaalsContact CD2-CB 3.43Å; W155-S168 PolarHBondContact NE1-OG 3.23Å; W155-S168 PolarHBondContact O-N 2.99Å; W155-L176 HydrophobicContact CH2-CD2 3.79Å; W155-L176 HydrophobicContact CZ2-CD2 4.07Å; W155-L207 HydrophobicContact CZ2-CD2 3.91Å; W155-L207 HydrophobicContact CZ2-CG 3.96Å; W155-L207 PolarHBondContact NE1-O 2.79Å; W155-E209 HydrophobicContact CB-CB 4.24Å; W155-E209 HydrophobicContact CD2-CB 4.07Å; W155-E209 HydrophobicContact CE3-CB 4.14Å; W155-E209 HydrophobicContact CE3-CG 4.36Å; W155-E209 HydrophobicContact CG-CB 4.13Å; W155-I212 HydrophobicContact CH2-CB 4.04Å; W155-I212 HydrophobicContact CH2-CG1 3.75Å; W155-I212 HydrophobicContact CH2-CG2 4.28Å; W155-I212 HydrophobicContact CZ2-CG1 4.18Å; W155-I212 HydrophobicContact CZ3-CB 4.47Å | ||
| 156 | Y | 95.6 | Very high | 94 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 15% | 0.145 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 156.4 | 178.9 | 73.6 | -84.7 | 0 | 0 | 0 | 111.7 | L113 G114 I126 L166 | L113-Y156 HydrophobicContact CB-CD1 4.22Å; L113-Y156 HydrophobicContact CB-CE1 4.1Å; G114-Y156 WeakPolarHBondContact CA-OH 3.48Å; I126-Y156 HydrophobicContact CB-CD1 3.96Å; I126-Y156 HydrophobicContact CB-CE1 4.2Å; I126-Y156 HydrophobicContact CB-CG 4.22Å; I126-Y156 HydrophobicContact CD1-CD2 4.15Å; I126-Y156 HydrophobicContact CD1-CE2 4.02Å; I126-Y156 HydrophobicContact CG1-CD1 4.26Å; I126-Y156 HydrophobicContact CG1-CD2 4.12Å; I126-Y156 HydrophobicContact CG1-CE2 4.42Å; I126-Y156 HydrophobicContact CG1-CG 4.04Å; I126-Y156 HydrophobicContact CG2-CD1 3.68Å; I126-Y156 HydrophobicContact CG2-CE1 4.38Å; I126-Y156 HydrophobicContact CG2-CG 3.92Å; Y156-L166 CarbonylContact C-O 3.52Å; Y156-L166 VanDerWaalsContact CA-O 3.24Å; Y156-L166 WeakPolarHBondContact CA-O 3.08Å |
| 157 | Q | 94.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.5 | 168.8 | -175.4 | 67.2 | 54 | 0 | 0 | 108.8 | I165 L166 M214 | Q157-I165 WeakPolarHBondContact O-CA 3.34Å; Q157-L166 PolarHBondContact N-O 2.66Å; Q157-L166 PolarHBondContact O-N 2.97Å; Q157-M214 VanDerWaalsContact C-CE 3.48Å; Q157-M214 HydrophobicContact CB-CE 3.85Å; Q157-M214 HydrophobicContact CG-CB 4.31Å; Q157-M214 HydrophobicContact CG-CE 3.69Å; Q157-M214 HydrophobicContact CG-CG 4.1Å; Q157-M214 WeakPolarHBondContact O-CE 3.48Å |
| 158 | Y | 94.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.2 | 175.5 | -178.9 | -134.4 | 0 | 0 | 0 | 111.2 | A30 C116 W117 P160 V164 I165 | A30-Y158 HydrophobicContact CB-CE1 4.42Å; C116-Y158 HydrophobicContact CB-CD1 3.78Å; C116-Y158 HydrophobicContact CB-CD2 4.32Å; C116-Y158 HydrophobicContact CB-CE1 3.96Å; C116-Y158 HydrophobicContact CB-CE2 4.49Å; C116-Y158 HydrophobicContact CB-CG 3.98Å; W117-Y158 PolarHBondContact O-OH 3.21Å; Y158-P160 HydrophobicContact CD1-CB 4.44Å; Y158-P160 HydrophobicContact CD1-CG 3.76Å; Y158-P160 HydrophobicContact CE1-CB 3.83Å; Y158-P160 HydrophobicContact CE1-CG 3.64Å; Y158-V164 WeakPolarHBondContact CD2-O 3.39Å; Y158-I165 HydrophobicContact CD2-CD1 4.34Å; Y158-I165 HydrophobicContact CD2-CG1 3.46Å; Y158-I165 VanDerWaalsContact CD2-CG1 3.46Å; Y158-I165 HydrophobicContact CE2-CG1 4.06Å; Y158-I165 HydrophobicContact CG-CG1 4.31Å |
| 159 | C | 94.4 | Very high | 94 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 99 | 168.6 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | E161 T162 A163 V164 M214 L221 | C159-E161 VanDerWaalsContact C-N 3.33Å; C159-E161 PolarHBondContact O-N 3.19Å; C159-T162 PolarHBondContact O-N 3.43Å; C159-T162 PolarHBondContact SG-OG1 3.22Å; C159-T162 VanDerWaalsContact SG-OG1 3.36Å; C159-A163 WeakPolarHBondContact O-CA 3.44Å; C159-A163 PolarHBondContact O-N 3.4Å; C159-V164 PolarHBondContact N-O 3.4Å; C159-V164 PolarHBondContact O-N 3.43Å; C159-M214 HydrophobicContact CB-CB 4.16Å; C159-M214 HydrophobicContact CB-CE 3.87Å; C159-L221 HydrophobicContact CB-CD1 4.33Å |
| 160 | P | 91.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 31.9 Ų | 31.9 | 29% | 0.286 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -40.4 | -177.8 | -22.4 | 30.5 | 0 | 0 | 0 | 113.6 | E29 A30 Y158 T162 A163 | E29-P160 HydrophobicContact CB-CG 4.13Å; A30-P160 HydrophobicContact CB-CB 4.18Å; A30-P160 HydrophobicContact CB-CG 4.33Å; Y158-P160 HydrophobicContact CD1-CB 4.44Å; Y158-P160 HydrophobicContact CD1-CG 3.76Å; Y158-P160 HydrophobicContact CE1-CB 3.83Å; Y158-P160 HydrophobicContact CE1-CG 3.64Å; P160-T162 VanDerWaalsContact C-N 3.28Å; P160-T162 PolarHBondContact O-N 3.5Å; P160-A163 PolarHBondContact O-N 3.49Å; P160-A163 VanDerWaalsContact O-N 3.14Å |
| 161 | E | 89.7 | Confident | 93.3 | Very high | 143 Ų | 143 | 32.2 Ų | 32.2 | 67% | 0.668 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -38 | -175.7 | -172.2 | -177.9 | -173.1 | 0 | 0 | 113.3 | C159 T216 | C159-E161 VanDerWaalsContact C-N 3.33Å; C159-E161 PolarHBondContact O-N 3.19Å; E161-T216 VanDerWaalsContact CD-OG1 3.22Å; E161-T216 WeakPolarHBondContact OE2-CB 3.39Å; E161-T216 PolarHBondContact OE2-OG1 3.5Å |
| 162 | T | 91.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -4.9 | 180 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | C159 P160 V164 L221 R247 | C159-T162 PolarHBondContact O-N 3.43Å; C159-T162 PolarHBondContact SG-OG1 3.22Å; C159-T162 VanDerWaalsContact SG-OG1 3.36Å; P160-T162 VanDerWaalsContact C-N 3.28Å; P160-T162 PolarHBondContact O-N 3.5Å; T162-V164 VanDerWaalsContact C-N 3.32Å; T162-L221 HydrophobicContact CG2-CB 4.38Å; T162-L221 HydrophobicContact CG2-CD1 4.27Å; T162-L221 HydrophobicContact CG2-CD2 4.48Å; T162-R247 PolarHBondContact O-NH2 3.15Å |
| 163 | A | 93.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 28.7 Ų | 28.7 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 47.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C159 P160 F181 | C159-A163 WeakPolarHBondContact O-CA 3.44Å; C159-A163 PolarHBondContact O-N 3.4Å; P160-A163 PolarHBondContact O-N 3.49Å; P160-A163 VanDerWaalsContact O-N 3.14Å; A163-F181 HydrophobicContact CB-CB 4.37Å; A163-F181 WeakPolarHBondContact CB-O 3.18Å; A163-F181 WeakPolarHBondContact O-CD2 3.21Å; A163-F181 PolarHBondContact O-N 2.99Å |
| 164 | V | 95.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.6 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | Y158 C159 T162 P178 F179 A180 M189 L221 L245 | Y158-V164 WeakPolarHBondContact CD2-O 3.39Å; C159-V164 PolarHBondContact N-O 3.4Å; C159-V164 PolarHBondContact O-N 3.43Å; T162-V164 VanDerWaalsContact C-N 3.32Å; V164-P178 HydrophobicContact CG1-CB 4.17Å; V164-F179 WeakPolarHBondContact CA-O 3.35Å; V164-A180 HydrophobicContact CG2-CB 4.14Å; V164-M189 HydrophobicContact CG1-SD 4.38Å; V164-M189 HydrophobicContact CG2-SD 4.49Å; V164-L221 HydrophobicContact CB-CD2 3.94Å; V164-L221 HydrophobicContact CG1-CD2 4.08Å; V164-L221 HydrophobicContact CG2-CD2 3.81Å; V164-L245 HydrophobicContact CG1-CD2 4.31Å |
| 165 | I | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.5 | 170.8 | -62.1 | 173.8 | 0 | 0 | 0 | 108.3 | C116 V124 I126 Q157 Y158 L167 P178 F179 F181 | C116-I165 HydrophobicContact CB-CD1 4.25Å; V124-I165 HydrophobicContact CB-CD1 3.91Å; V124-I165 HydrophobicContact CG1-CD1 3.78Å; V124-I165 HydrophobicContact CG2-CD1 4.14Å; I126-I165 HydrophobicContact CD1-CD1 4.31Å; Q157-I165 WeakPolarHBondContact O-CA 3.34Å; Y158-I165 HydrophobicContact CD2-CD1 4.34Å; Y158-I165 HydrophobicContact CD2-CG1 3.46Å; Y158-I165 VanDerWaalsContact CD2-CG1 3.46Å; Y158-I165 HydrophobicContact CE2-CG1 4.06Å; Y158-I165 HydrophobicContact CG-CG1 4.31Å; I165-L167 HydrophobicContact CG2-CD2 3.65Å; I165-L167 HydrophobicContact CG2-CG 4.41Å; I165-P178 CarbonylContact O-C 3.57Å; I165-P178 WeakPolarHBondContact O-CA 3.36Å; I165-F179 PolarHBondContact N-O 3.1Å; I165-F179 PolarHBondContact O-N 2.63Å; I165-F181 HydrophobicContact CB-CE2 4.04Å; I165-F181 HydrophobicContact CD1-CD2 4.3Å; I165-F181 HydrophobicContact CD1-CE2 3.55Å; I165-F181 HydrophobicContact CD1-CZ 4Å; I165-F181 HydrophobicContact CG1-CD2 4.37Å; I165-F181 HydrophobicContact CG1-CE2 3.79Å |
| 166 | L | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.2 | 175.8 | -170.7 | 66.2 | 0 | 0 | 0 | 109.1 | Y156 Q157 L176 P178 F192 I212 M214 V223 | Y156-L166 CarbonylContact C-O 3.52Å; Y156-L166 VanDerWaalsContact CA-O 3.24Å; Y156-L166 WeakPolarHBondContact CA-O 3.08Å; Q157-L166 PolarHBondContact N-O 2.66Å; Q157-L166 PolarHBondContact O-N 2.97Å; L166-L176 HydrophobicContact CD1-CB 3.78Å; L166-L176 HydrophobicContact CD2-CD1 3.81Å; L166-L176 HydrophobicContact CG-CB 4.19Å; L166-L176 HydrophobicContact CG-CD1 4.29Å; L166-P178 HydrophobicContact CD1-CB 3.92Å; L166-P178 HydrophobicContact CD1-CG 4.09Å; L166-F192 HydrophobicContact CD1-CE1 4.09Å; L166-F192 HydrophobicContact CD1-CZ 4.32Å; L166-I212 HydrophobicContact CD2-CG2 4.17Å; L166-M214 HydrophobicContact CB-CE 3.73Å; L166-M214 HydrophobicContact CB-SD 3.54Å; L166-M214 VanDerWaalsContact CB-SD 3.54Å; L166-M214 HydrophobicContact CD2-CG 4.06Å; L166-M214 HydrophobicContact CD2-SD 3.78Å; L166-M214 HydrophobicContact CG-SD 4.25Å; L166-V223 HydrophobicContact CD2-CB 4.49Å; L166-V223 HydrophobicContact CD2-CG1 3.74Å; L166-V223 HydrophobicContact CD2-CG2 3.88Å |
| 167 | L | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.3 | 178 | -53.4 | -177.7 | 0 | 0 | 0 | 110.2 | I126 I131 I151 V153 I165 T169 L176 Q177 F179 | I126-L167 HydrophobicContact CG2-CD2 4.04Å; I131-L167 HydrophobicContact CG2-CD1 3.54Å; I131-L167 HydrophobicContact CG2-CD2 4.16Å; I131-L167 HydrophobicContact CG2-CG 4.44Å; I151-L167 HydrophobicContact CG2-CD1 3.85Å; V153-L167 HydrophobicContact CG1-CB 4.42Å; V153-L167 HydrophobicContact CG1-CD2 4.14Å; V153-L167 HydrophobicContact CG2-CD1 3.99Å; I165-L167 HydrophobicContact CG2-CD2 3.65Å; I165-L167 HydrophobicContact CG2-CG 4.41Å; L167-T169 HydrophobicContact CB-CG2 4.41Å; L167-L176 WeakPolarHBondContact O-CA 3.37Å; L167-Q177 PolarHBondContact N-O 2.62Å; L167-Q177 PolarHBondContact O-N 3.46Å; L167-F179 HydrophobicContact CD1-CD2 3.87Å; L167-F179 HydrophobicContact CD1-CE2 3.54Å; L167-F179 HydrophobicContact CG-CD2 4.2Å; L167-F179 HydrophobicContact CG-CE2 4.24Å |
| 168 | S | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 128.6 | 165.8 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | N154 W155 G173 | N154-S168 PolarHBondContact N-O 3.28Å; N154-S168 PolarHBondContact ND2-OG 3.45Å; W155-S168 VanDerWaalsContact CD2-CB 3.43Å; W155-S168 PolarHBondContact NE1-OG 3.23Å; W155-S168 PolarHBondContact O-N 2.99Å; S168-G173 VanDerWaalsContact OG-C 3.3Å; S168-G173 WeakPolarHBondContact OG-CA 3.41Å; S168-G173 PolarHBondContact OG-O 3.19Å |
| 169 | T | 90.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 9% | 0.086 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 166.8 | -176.5 | 72.3 | 0 | 0 | 0 | 0 | 109.3 | I151 L167 G173 V175 Q177 | I151-T169 HydrophobicContact CD1-CG2 3.54Å; I151-T169 HydrophobicContact CG1-CG2 3.85Å; L167-T169 HydrophobicContact CB-CG2 4.41Å; T169-G173 CarbonylContact O-C 3.25Å; T169-G173 WeakPolarHBondContact O-CA 3.39Å; T169-V175 PolarHBondContact N-O 3.35Å; T169-V175 PolarHBondContact OG1-O 3.38Å; T169-Q177 HydrophobicContact CG2-CB 4.06Å |
| 170 | T | 88.6 | Confident | 92.5 | Very high | 64 Ų | 64 | 23.4 Ų | 23.4 | 39% | 0.393 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 71.7 | 162.8 | -174.3 | 84.5 | 0 | 0 | 0 | 0 | 114.8 | N154 Q172 G173 N174 V175 | N154-T170 PolarHBondContact ND2-O 3.03Å; T170-Q172 PolarHBondContact O-N 3.26Å; T170-G173 PolarHBondContact O-N 3.32Å; T170-G173 VanDerWaalsContact O-N 3.14Å; T170-G173 PolarHBondContact OG1-N 3.02Å; T170-N174 PolarHBondContact OG1-OD1 3.11Å; T170-V175 HydrophobicContact CG2-CB 3.77Å; T170-V175 HydrophobicContact CG2-CG2 3.71Å |
| 171 | V | 84.2 | Confident | 92.6 | Very high | 101 Ų | 101 | 21.7 Ų | 21.7 | 61% | 0.612 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -30.3 | -177.4 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | A203 K204 L205 | V171-A203 HydrophobicContact CG1-CB 4.38Å; V171-K204 CarbonylContact O-C 3.55Å; V171-L205 VanDerWaalsContact O-CA 3.31Å; V171-L205 WeakPolarHBondContact O-CA 3.29Å; V171-L205 PolarHBondContact O-N 3.07Å |
| 172 | Q | 83.4 | Confident | 92.6 | Very high | 43 Ų | 43 | 23 Ų | 23 | 20% | 0.201 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -18 | 179.8 | -67.4 | 176.3 | -0.8 | 0 | 0 | 112.5 | T170 N174 L196 A203 T206 L207 | T170-Q172 PolarHBondContact O-N 3.26Å; Q172-N174 VanDerWaalsContact C-N 3.26Å; Q172-N174 PolarHBondContact O-N 3.26Å; Q172-L196 HydrophobicContact CB-CD1 4.18Å; Q172-A203 HydrophobicContact CG-CB 4.28Å; Q172-T206 PolarHBondContact O-N 2.71Å; Q172-T206 VanDerWaalsContact O-N 3.12Å; Q172-T206 PolarHBondContact O-OG1 3.25Å; Q172-T206 VanDerWaalsContact O-OG1 3.12Å; Q172-L207 PolarHBondContact O-N 3.39Å |
| 173 | G | 86 | Confident | 92.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 77.4 | 6.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | S168 T169 T170 L207 | S168-G173 VanDerWaalsContact OG-C 3.3Å; S168-G173 WeakPolarHBondContact OG-CA 3.41Å; S168-G173 PolarHBondContact OG-O 3.19Å; T169-G173 CarbonylContact O-C 3.25Å; T169-G173 WeakPolarHBondContact O-CA 3.39Å; T170-G173 PolarHBondContact O-N 3.32Å; T170-G173 VanDerWaalsContact O-N 3.14Å; T170-G173 PolarHBondContact OG1-N 3.02Å; G173-L207 WeakPolarHBondContact O-CD2 3.45Å |
| 174 | N | 89.6 | Confident | 92.1 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.043 | 16% | 0.158 | C | C | . | . | trans | -87.1 | -12.3 | -171.3 | 71.3 | -41.4 | 0 | 0 | 0 | 114.4 | T170 Q172 E193 I194 L196 | T170-N174 PolarHBondContact OG1-OD1 3.11Å; Q172-N174 VanDerWaalsContact C-N 3.26Å; Q172-N174 PolarHBondContact O-N 3.26Å; N174-E193 WeakPolarHBondContact ND2-CG 3.36Å; N174-E193 PolarHBondContact ND2-OE1 3.4Å; N174-E193 WeakPolarHBondContact O-CA 3.25Å; N174-I194 PolarHBondContact O-N 3.33Å; N174-L196 HydrophobicContact CB-CD1 3.77Å; N174-L196 HydrophobicContact CB-CD2 4.12Å; N174-L196 HydrophobicContact CB-CG 3.81Å | ||
| 175 | V | 93.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 33 Ų | 33 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116.2 | 173.6 | 179 | 0 | 0 | 0 | 0 | 108.5 | T169 T170 K191 E193 | T169-V175 PolarHBondContact N-O 3.35Å; T169-V175 PolarHBondContact OG1-O 3.38Å; T170-V175 HydrophobicContact CG2-CB 3.77Å; T170-V175 HydrophobicContact CG2-CG2 3.71Å; V175-K191 HydrophobicContact CG1-CB 4.48Å; V175-K191 HydrophobicContact CG1-CD 4.16Å; V175-E193 HydrophobicContact CG2-CB 4.34Å; V175-E193 HydrophobicContact CG2-CG 4.02Å |
| 176 | L | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131 | -176.9 | -53.1 | -172.5 | 0 | 0 | 0 | 110.6 | W155 L166 L167 K191 F192 I194 L207 I212 V223 | W155-L176 HydrophobicContact CH2-CD2 3.79Å; W155-L176 HydrophobicContact CZ2-CD2 4.07Å; L166-L176 HydrophobicContact CD1-CB 3.78Å; L166-L176 HydrophobicContact CD2-CD1 3.81Å; L166-L176 HydrophobicContact CG-CB 4.19Å; L166-L176 HydrophobicContact CG-CD1 4.29Å; L167-L176 WeakPolarHBondContact O-CA 3.37Å; L176-K191 WeakPolarHBondContact O-CA 3.23Å; L176-F192 HydrophobicContact CB-CE1 4.02Å; L176-F192 HydrophobicContact CB-CE2 4.26Å; L176-F192 HydrophobicContact CB-CZ 3.85Å; L176-F192 HydrophobicContact CD1-CE2 4.08Å; L176-F192 HydrophobicContact CD1-CZ 3.92Å; L176-F192 HydrophobicContact CG-CE2 4.49Å; L176-F192 HydrophobicContact CG-CZ 4.4Å; L176-F192 PolarHBondContact N-O 3.14Å; L176-F192 PolarHBondContact O-N 3.22Å; L176-I194 HydrophobicContact CD1-CD1 3.49Å; L176-I194 VanDerWaalsContact CD1-CD1 3.49Å; L176-I194 HydrophobicContact CD1-CG1 4.17Å; L176-I194 HydrophobicContact CG-CD1 4.29Å; L176-L207 HydrophobicContact CD2-CD2 4.26Å; L176-I212 HydrophobicContact CD1-CD1 4.39Å; L176-V223 HydrophobicContact CD1-CG1 4.35Å |
| 177 | Q | 96.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 105.5 | -179.1 | 177.2 | 63.6 | 79.2 | 0 | 0 | 109.6 | I151 L167 T169 F179 M189 | I151-Q177 HydrophobicContact CD1-CB 4.09Å; I151-Q177 HydrophobicContact CD1-CG 3.91Å; L167-Q177 PolarHBondContact N-O 2.62Å; L167-Q177 PolarHBondContact O-N 3.46Å; T169-Q177 HydrophobicContact CG2-CB 4.06Å; Q177-F179 HydrophobicContact CB-CE2 4.42Å; Q177-F179 HydrophobicContact CG-CD2 4.23Å; Q177-F179 HydrophobicContact CG-CE2 3.43Å; Q177-F179 VanDerWaalsContact CG-CE2 3.43Å; Q177-F179 HydrophobicContact CG-CZ 3.8Å; Q177-M189 PolarHBondContact NE2-O 3.45Å |
| 178 | P | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 148.9 | 175.8 | 14.7 | -4.9 | 0 | 0 | 0 | 112.6 | V164 I165 L166 M189 F192 L245 | V164-P178 HydrophobicContact CG1-CB 4.17Å; I165-P178 CarbonylContact O-C 3.57Å; I165-P178 WeakPolarHBondContact O-CA 3.36Å; L166-P178 HydrophobicContact CD1-CB 3.92Å; L166-P178 HydrophobicContact CD1-CG 4.09Å; P178-M189 HydrophobicContact CB-CB 3.99Å; P178-M189 HydrophobicContact CB-CG 4.43Å; P178-M189 HydrophobicContact CB-SD 3.98Å; P178-M189 HydrophobicContact CG-CB 3.8Å; P178-M189 PolarHBondContact O-N 2.98Å; P178-F192 HydrophobicContact CG-CE1 4.23Å; P178-L245 HydrophobicContact CB-CD2 3.88Å; P178-L245 HydrophobicContact CG-CD1 3.78Å; P178-L245 HydrophobicContact CG-CD2 3.98Å |
| 179 | F | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.3 | 170.7 | -68.6 | -91.3 | 0 | 0 | 0 | 109.6 | I131 Q149 V164 I165 L167 Q177 F181 M186 T187 K188 | I131-F179 HydrophobicContact CD1-CB 4.25Å; I131-F179 HydrophobicContact CD1-CD1 3.54Å; I131-F179 HydrophobicContact CD1-CD2 3.71Å; I131-F179 HydrophobicContact CD1-CE1 3.69Å; I131-F179 HydrophobicContact CD1-CE2 3.84Å; I131-F179 HydrophobicContact CD1-CG 3.56Å; I131-F179 HydrophobicContact CD1-CZ 3.84Å; Q149-F179 HydrophobicContact CB-CE1 4.33Å; Q149-F179 HydrophobicContact CB-CZ 4.41Å; Q149-F179 HydrophobicContact CG-CE1 4.08Å; Q149-F179 HydrophobicContact CG-CZ 3.87Å; V164-F179 WeakPolarHBondContact CA-O 3.35Å; I165-F179 PolarHBondContact N-O 3.1Å; I165-F179 PolarHBondContact O-N 2.63Å; L167-F179 HydrophobicContact CD1-CD2 3.87Å; L167-F179 HydrophobicContact CD1-CE2 3.54Å; L167-F179 HydrophobicContact CG-CD2 4.2Å; L167-F179 HydrophobicContact CG-CE2 4.24Å; Q177-F179 HydrophobicContact CB-CE2 4.42Å; Q177-F179 HydrophobicContact CG-CD2 4.23Å; Q177-F179 HydrophobicContact CG-CE2 3.43Å; Q177-F179 VanDerWaalsContact CG-CE2 3.43Å; Q177-F179 HydrophobicContact CG-CZ 3.8Å; F179-F181 HydrophobicContact CB-CE2 3.82Å; F179-F181 HydrophobicContact CB-CZ 4.03Å; F179-M186 HydrophobicContact CD1-CE 4.29Å; F179-M186 HydrophobicContact CD1-CG 4.29Å; F179-M186 HydrophobicContact CE1-CE 4.27Å; F179-T187 WeakPolarHBondContact CA-O 3.44Å; F179-K188 HydrophobicContact CD1-CB 4.06Å; F179-K188 HydrophobicContact CD1-CG 4.28Å; F179-K188 HydrophobicContact CE1-CB 3.76Å; F179-K188 HydrophobicContact CE1-CD 4.17Å; F179-K188 HydrophobicContact CE1-CG 3.68Å; F179-K188 HydrophobicContact CZ-CD 4.39Å; F179-K188 HydrophobicContact CZ-CG 4.09Å |
| 180 | A | 95.3 | Very high | 91.7 | Very high | 11 Ų | 11 | 46 Ų | 46 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V164 T187 M189 | V164-A180 HydrophobicContact CG2-CB 4.14Å; A180-T187 PolarHBondContact N-O 3.44Å; A180-T187 PolarHBondContact O-N 3.12Å; A180-M189 HydrophobicContact CB-CG 4.28Å; A180-M189 HydrophobicContact CB-SD 3.86Å |
| 181 | F | 94.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.9 | -180 | -60.6 | -92.7 | 0 | 0 | 0 | 110.1 | T118 V124 I131 F133 A163 I165 F179 T185 M186 | T118-F181 HydrophobicContact CG2-CB 3.72Å; T118-F181 HydrophobicContact CG2-CD1 4.19Å; T118-F181 HydrophobicContact CG2-CD2 4.13Å; T118-F181 HydrophobicContact CG2-CG 3.74Å; V124-F181 HydrophobicContact CB-CZ 4.44Å; V124-F181 HydrophobicContact CG1-CE1 4.3Å; V124-F181 HydrophobicContact CG1-CZ 3.97Å; V124-F181 HydrophobicContact CG2-CD1 3.8Å; V124-F181 HydrophobicContact CG2-CE1 3.38Å; V124-F181 HydrophobicContact CG2-CE2 4.24Å; V124-F181 HydrophobicContact CG2-CG 4.38Å; V124-F181 HydrophobicContact CG2-CZ 3.64Å; I131-F181 HydrophobicContact CD1-CZ 4.48Å; F133-F181 HydrophobicContact CB-CE1 4.33Å; F133-F181 HydrophobicContact CD1-CD1 4.39Å; F133-F181 HydrophobicContact CD1-CE1 4.47Å; F133-F181 HydrophobicContact CD2-CD1 4.1Å; F133-F181 HydrophobicContact CD2-CE1 4.12Å; F133-F181 HydrophobicContact CE1-CD1 4.35Å; F133-F181 HydrophobicContact CE2-CD1 4.05Å; F133-F181 HydrophobicContact CG-CD1 4.26Å; F133-F181 HydrophobicContact CG-CE1 4.07Å; F133-F181 HydrophobicContact CZ-CD1 4.19Å; A163-F181 HydrophobicContact CB-CB 4.37Å; A163-F181 WeakPolarHBondContact CB-O 3.18Å; A163-F181 WeakPolarHBondContact O-CD2 3.21Å; A163-F181 PolarHBondContact O-N 2.99Å; I165-F181 HydrophobicContact CB-CE2 4.04Å; I165-F181 HydrophobicContact CD1-CD2 4.3Å; I165-F181 HydrophobicContact CD1-CE2 3.55Å; I165-F181 HydrophobicContact CD1-CZ 4Å; I165-F181 HydrophobicContact CG1-CD2 4.37Å; I165-F181 HydrophobicContact CG1-CE2 3.79Å; F179-F181 HydrophobicContact CB-CE2 3.82Å; F179-F181 HydrophobicContact CB-CZ 4.03Å; F181-T185 WeakPolarHBondContact CA-O 3.35Å; F181-M186 HydrophobicContact CD1-CB 3.98Å; F181-M186 HydrophobicContact CD1-CG 4.15Å; F181-M186 HydrophobicContact CE1-CB 3.81Å; F181-M186 HydrophobicContact CE1-CG 3.54Å; F181-M186 HydrophobicContact CE1-SD 3.94Å; F181-M186 HydrophobicContact CZ-CG 4.01Å; F181-M186 HydrophobicContact CZ-SD 4.32Å |
| 182 | R | 89.4 | Confident | 92.4 | Very high | 172 Ų | 172 | 45.6 Ų | 45.6 | 65% | 0.649 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 121 | 175.7 | -171.2 | 178.3 | -176.8 | -179.6 | 0.9 | 110.4 | G184 T185 | R182-G184 PolarHBondContact O-N 3.15Å; R182-T185 PolarHBondContact N-O 3.2Å; R182-T185 WeakPolarHBondContact O-CB 3.25Å; R182-T185 PolarHBondContact O-N 3.39Å; R182-T185 PolarHBondContact O-OG1 3.33Å |
| 183 | N | 85.3 | Confident | 92.9 | Very high | 141 Ų | 141 | 49.2 Ų | 49.2 | 75% | 0.754 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 56.8 | 171.5 | -60.2 | -4.1 | 0 | 0 | 0 | 113.2 | T185 | N183-T185 PolarHBondContact O-N 3.25Š|
| 184 | G | 87.6 | Confident | 93.1 | Very high | 28 Ų | 28 | 49.2 Ų | 49.2 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 5.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | E122 F133 R182 | E122-G184 VanDerWaalsContact OE1-CA 3.25Å; E122-G184 WeakPolarHBondContact OE1-CA 3.48Å; E122-G184 PolarHBondContact OE1-N 2.92Å; E122-G184 PolarHBondContact OE2-N 3.13Å; F133-G184 WeakPolarHBondContact CE1-O 3.48Å; R182-G184 PolarHBondContact O-N 3.15Å |
| 185 | T | 91.8 | Very high | 92.9 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 138.3 | 173.3 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | F181 R182 N183 | F181-T185 WeakPolarHBondContact CA-O 3.35Å; R182-T185 PolarHBondContact N-O 3.2Å; R182-T185 WeakPolarHBondContact O-CB 3.25Å; R182-T185 PolarHBondContact O-N 3.39Å; R182-T185 PolarHBondContact O-OG1 3.33Å; N183-T185 PolarHBondContact O-N 3.25Å |
| 186 | M | 94.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.2 | 174.7 | 171.4 | -169.3 | 107.9 | 0 | 0 | 109.4 | I131 F133 K147 Q149 F179 F181 | I131-M186 HydrophobicContact CD1-CE 3.96Å; I131-M186 HydrophobicContact CD1-SD 3.62Å; I131-M186 HydrophobicContact CG1-CE 4.48Å; I131-M186 HydrophobicContact CG1-SD 4.32Å; F133-M186 HydrophobicContact CB-SD 4.18Å; F133-M186 HydrophobicContact CD1-CB 3.94Å; F133-M186 HydrophobicContact CE1-CB 4.41Å; K147-M186 HydrophobicContact CB-CE 4.21Å; K147-M186 HydrophobicContact CB-SD 4.23Å; K147-M186 HydrophobicContact CD-CB 4.14Å; K147-M186 HydrophobicContact CD-CE 3.75Å; K147-M186 HydrophobicContact CD-SD 4.43Å; K147-M186 HydrophobicContact CG-CE 3.67Å; K147-M186 HydrophobicContact CG-SD 4.33Å; K147-M186 PolarHBondContact NZ-O 2.65Å; Q149-M186 HydrophobicContact CB-CE 3.89Å; F179-M186 HydrophobicContact CD1-CE 4.29Å; F179-M186 HydrophobicContact CD1-CG 4.29Å; F179-M186 HydrophobicContact CE1-CE 4.27Å; F181-M186 HydrophobicContact CD1-CB 3.98Å; F181-M186 HydrophobicContact CD1-CG 4.15Å; F181-M186 HydrophobicContact CE1-CB 3.81Å; F181-M186 HydrophobicContact CE1-CG 3.54Å; F181-M186 HydrophobicContact CE1-SD 3.94Å; F181-M186 HydrophobicContact CZ-CG 4.01Å; F181-M186 HydrophobicContact CZ-SD 4.32Å |
| 187 | T | 94.2 | Very high | 91.5 | Very high | 80 Ų | 80 | 59 Ų | 59 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.8 | -177.3 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | F179 A180 | F179-T187 WeakPolarHBondContact CA-O 3.44Å; A180-T187 PolarHBondContact N-O 3.44Å; A180-T187 PolarHBondContact O-N 3.12Å |
| 188 | K | 94.6 | Very high | 90.4 | Very high | 108 Ų | 108 | 64 Ų | 64 | 47% | 0.47 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.7 | 174.2 | -175.3 | 178.6 | -178.7 | 179.8 | 0 | 108.8 | F179 | F179-K188 HydrophobicContact CD1-CB 4.06Å; F179-K188 HydrophobicContact CD1-CG 4.28Å; F179-K188 HydrophobicContact CE1-CB 3.76Å; F179-K188 HydrophobicContact CE1-CD 4.17Å; F179-K188 HydrophobicContact CE1-CG 3.68Å; F179-K188 HydrophobicContact CZ-CD 4.39Å; F179-K188 HydrophobicContact CZ-CG 4.09Å |
| 189 | M | 94.1 | Very high | 89.2 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 170.7 | 178.8 | -62.1 | 179.2 | 69.8 | 0 | 0 | 111.1 | V164 Q177 P178 A180 K191 L245 P246 | V164-M189 HydrophobicContact CG1-SD 4.38Å; V164-M189 HydrophobicContact CG2-SD 4.49Å; Q177-M189 PolarHBondContact NE2-O 3.45Å; P178-M189 HydrophobicContact CB-CB 3.99Å; P178-M189 HydrophobicContact CB-CG 4.43Å; P178-M189 HydrophobicContact CB-SD 3.98Å; P178-M189 HydrophobicContact CG-CB 3.8Å; P178-M189 PolarHBondContact O-N 2.98Å; A180-M189 HydrophobicContact CB-CG 4.28Å; A180-M189 HydrophobicContact CB-SD 3.86Å; M189-K191 PolarHBondContact O-N 3.37Å; M189-L245 HydrophobicContact CE-CD1 3.98Å; M189-L245 HydrophobicContact CE-CD2 4.37Å; M189-L245 HydrophobicContact CE-CG 3.87Å; M189-P246 WeakPolarHBondContact CE-O 3.42Å |
| 190 | T | 93.5 | Very high | 88 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 123.5 | 176.6 | -46.8 | 0 | 0 | 0 | 0 | 110.1 | G249 | T190-G249 WeakPolarHBondContact CB-O 3.38Å; T190-G249 PolarHBondContact OG1-O 2.93Å |
| 191 | K | 93.9 | Very high | 87.1 | Confident | 136 Ų | 136 | 78.8 Ų | 78.8 | 59% | 0.591 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 151.8 | 171.4 | 64.8 | 177.6 | -177 | 173.5 | 0 | 110.8 | V175 L176 M189 | V175-K191 HydrophobicContact CG1-CB 4.48Å; V175-K191 HydrophobicContact CG1-CD 4.16Å; L176-K191 WeakPolarHBondContact O-CA 3.23Å; M189-K191 PolarHBondContact O-N 3.37Å |
| 192 | F | 94.5 | Very high | 86.3 | Confident | 19 Ų | 19 | 83.2 Ų | 83.2 | 8% | 0.083 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 163.3 | 175.4 | 66.3 | -82.8 | 0 | 0 | 0 | 110.2 | L166 L176 P178 I194 V223 Y243 L245 C251 | L166-F192 HydrophobicContact CD1-CE1 4.09Å; L166-F192 HydrophobicContact CD1-CZ 4.32Å; L176-F192 HydrophobicContact CB-CE1 4.02Å; L176-F192 HydrophobicContact CB-CE2 4.26Å; L176-F192 HydrophobicContact CB-CZ 3.85Å; L176-F192 HydrophobicContact CD1-CE2 4.08Å; L176-F192 HydrophobicContact CD1-CZ 3.92Å; L176-F192 HydrophobicContact CG-CE2 4.49Å; L176-F192 HydrophobicContact CG-CZ 4.4Å; L176-F192 PolarHBondContact N-O 3.14Å; L176-F192 PolarHBondContact O-N 3.22Å; P178-F192 HydrophobicContact CG-CE1 4.23Å; F192-I194 HydrophobicContact CE2-CD1 4.47Å; F192-I194 HydrophobicContact CE2-CG1 4.12Å; F192-V223 HydrophobicContact CZ-CB 4.25Å; F192-V223 HydrophobicContact CZ-CG1 4.3Å; F192-V223 HydrophobicContact CZ-CG2 4Å; F192-Y243 HydrophobicContact CD2-CD1 4.39Å; F192-Y243 HydrophobicContact CE2-CD1 4.45Å; F192-Y243 HydrophobicContact CE2-CG 4.32Å; F192-L245 HydrophobicContact CE1-CD1 4.26Å; F192-C251 HydrophobicContact CB-CB 3.69Å; F192-C251 HydrophobicContact CD1-CB 3.62Å; F192-C251 HydrophobicContact CD2-CB 4.28Å; F192-C251 HydrophobicContact CE1-CB 4.33Å; F192-C251 HydrophobicContact CG-CB 3.6Å |
| 193 | E | 92.9 | Very high | 85.5 | Confident | 120 Ų | 120 | 77.4 Ų | 77.4 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.4 | -176.5 | -171.7 | 170.4 | -179 | 0 | 0 | 110.1 | N174 V175 | N174-E193 WeakPolarHBondContact ND2-CG 3.36Å; N174-E193 PolarHBondContact ND2-OE1 3.4Å; N174-E193 WeakPolarHBondContact O-CA 3.25Å; V175-E193 HydrophobicContact CG2-CB 4.34Å; V175-E193 HydrophobicContact CG2-CG 4.02Å |
| 194 | I | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -93.8 | 129 | 172.6 | -64.8 | -176.1 | 0 | 0 | 0 | 108.6 | N174 L176 F192 L196 L207 I212 Y225 Y243 | N174-I194 PolarHBondContact O-N 3.33Å; L176-I194 HydrophobicContact CD1-CD1 3.49Å; L176-I194 VanDerWaalsContact CD1-CD1 3.49Å; L176-I194 HydrophobicContact CD1-CG1 4.17Å; L176-I194 HydrophobicContact CG-CD1 4.29Å; F192-I194 HydrophobicContact CE2-CD1 4.47Å; F192-I194 HydrophobicContact CE2-CG1 4.12Å; I194-L196 PolarHBondContact O-N 2.93Å; I194-L207 HydrophobicContact CD1-CD2 4.07Å; I194-I212 HydrophobicContact CD1-CD1 3.51Å; I194-Y225 HydrophobicContact CD1-CG 4.26Å; I194-Y225 HydrophobicContact CG2-CD1 3.42Å; I194-Y225 VanDerWaalsContact CG2-CD1 3.42Å; I194-Y225 HydrophobicContact CG2-CD2 4.38Å; I194-Y225 HydrophobicContact CG2-CE1 3.48Å; I194-Y225 VanDerWaalsContact CG2-CE1 3.48Å; I194-Y225 HydrophobicContact CG2-CE2 4.46Å; I194-Y225 HydrophobicContact CG2-CG 3.89Å; I194-Y243 HydrophobicContact CD1-CE2 4.46Å; I194-Y243 HydrophobicContact CG1-CE2 4.18Å | ||
| 195 | E | 85.3 | Confident | 85 | Confident | 142 Ų | 142 | 80.3 Ų | 80.3 | 66% | 0.664 | 42% | 0.424 | S | S | * | . | trans | -72.2 | 111.9 | 176.1 | -67.4 | 173.9 | -179.8 | 0 | 0 | 110.1 | ||||
| 196 | L | 83.3 | Confident | 84.6 | Confident | 31 Ų | 31 | 79 Ų | 79 | 16% | 0.162 | 42% | 0.416 | C | S | . | . | trans | -80.1 | 138.7 | 178.4 | -63.7 | 176.1 | 0 | 0 | 0 | 111.2 | Q172 N174 I194 V198 V199 T206 L207 | Q172-L196 HydrophobicContact CB-CD1 4.18Å; N174-L196 HydrophobicContact CB-CD1 3.77Å; N174-L196 HydrophobicContact CB-CD2 4.12Å; N174-L196 HydrophobicContact CB-CG 3.81Å; I194-L196 PolarHBondContact O-N 2.93Å; L196-V198 PolarHBondContact O-N 3.29Å; L196-V199 HydrophobicContact CB-CG2 4.31Å; L196-V199 HydrophobicContact CD1-CG2 4.48Å; L196-T206 WeakPolarHBondContact CD1-OG1 3.1Å; L196-L207 HydrophobicContact CD2-CB 4.33Å | ||
| 197 | P | 76.1 | Confident | 84.2 | Confident | 59 Ų | 59 | 78.7 Ų | 78.7 | 38% | 0.383 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -65.6 | -38.8 | 179.7 | -15.5 | 26 | 0 | 0 | 0 | 113.5 | K227 | P197-K227 HydrophobicContact CG-CD 4.44Å; P197-K227 HydrophobicContact CG-CG 3.87Å |
| 198 | V | 73.4 | Confident | 84 | Confident | 111 Ų | 111 | 77 Ų | 77 | 67% | 0.673 | 41% | 0.406 | S | S | * | . | trans | -142.5 | 127.1 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | L196 P200 | L196-V198 PolarHBondContact O-N 3.29Å; V198-P200 WeakPolarHBondContact O-CD 3.37Å | ||
| 199 | V | 70.9 | Confident | 83.7 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 42% | 0.424 | 41% | 0.405 | S | S | . | . | trans | -101.2 | 109.3 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | L196 | L196-V199 HydrophobicContact CB-CG2 4.31Å; L196-V199 HydrophobicContact CD1-CG2 4.48Å | ||
| 200 | P | 70.4 | Confident | 83.4 | Confident | 48 Ų | 48 | 86.7 Ų | 86.7 | 31% | 0.312 | 44% | 0.443 | S | S | . | . | trans | -66.9 | 145.4 | 178.9 | 25.7 | -31.1 | 0 | 0 | 0 | 111.2 | V198 P202 A203 T206 | V198-P200 WeakPolarHBondContact O-CD 3.37Å; P200-P202 CarbonylContact C-O 3.57Å; P200-P202 CarbonylContact O-C 3.59Å; P200-P202 VanDerWaalsContact O-C 3.25Å; P200-A203 WeakPolarHBondContact O-CA 3.33Å; P200-A203 PolarHBondContact O-N 3.46Å; P200-T206 HydrophobicContact CG-CG2 3.47Å; P200-T206 VanDerWaalsContact CG-CG2 3.47Å | ||
| 201 | K | 76.9 | Confident | 83.3 | Confident | 204 Ų | 204 | 84.5 Ų | 84.5 | 89% | 0.887 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -113.9 | 116.6 | 170.7 | -67.2 | -176.6 | 180 | 179.7 | 0 | 108.3 | ||
| 202 | P | 76.6 | Confident | 83.3 | Confident | 100 Ų | 100 | 78.4 Ų | 78.4 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | S | Bend | cis | -72.1 | 155.5 | 3.8 | 31.2 | -35.7 | 0 | 0 | 0 | 113.2 | P200 K204 | P200-P202 CarbonylContact C-O 3.57Å; P200-P202 CarbonylContact O-C 3.59Å; P200-P202 VanDerWaalsContact O-C 3.25Å; P202-K204 PolarHBondContact O-N 3.36Å |
| 203 | A | 73.4 | Confident | 83.3 | Confident | 50 Ų | 50 | 78 Ų | 78 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | trans | -60.9 | 124.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V171 Q172 P200 | V171-A203 HydrophobicContact CG1-CB 4.38Å; Q172-A203 HydrophobicContact CG-CB 4.28Å; P200-A203 WeakPolarHBondContact O-CA 3.33Å; P200-A203 PolarHBondContact O-N 3.46Å | ||
| 204 | K | 82.1 | Confident | 83.4 | Confident | 139 Ų | 139 | 72.5 Ų | 72.5 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | trans | -129.8 | 160.8 | 174.8 | -68 | -177.6 | -179.7 | -177.8 | 0 | 108.8 | V171 P202 T206 | V171-K204 CarbonylContact O-C 3.55Å; P202-K204 PolarHBondContact O-N 3.36Å; K204-T206 PolarHBondContact O-N 2.89Å; K204-T206 VanDerWaalsContact O-N 3.11Å | ||
| 205 | L | 80.4 | Confident | 83.5 | Confident | 90 Ų | 90 | 72.8 Ų | 72.8 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | trans | -56.4 | 117.6 | 172.5 | -175.2 | 66.8 | 0 | 0 | 0 | 108.5 | N154 V171 | N154-L205 HydrophobicContact CB-CD1 4.03Å; N154-L205 HydrophobicContact CB-CD2 4.38Å; V171-L205 VanDerWaalsContact O-CA 3.31Å; V171-L205 WeakPolarHBondContact O-CA 3.29Å; V171-L205 PolarHBondContact O-N 3.07Å | ||
| 206 | T | 83.5 | Confident | 83.9 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | trans | -112.9 | -37.1 | -174.9 | 34.5 | 0 | 0 | 0 | 0 | 111.6 | Q172 L196 P200 K204 | Q172-T206 PolarHBondContact O-N 2.71Å; Q172-T206 VanDerWaalsContact O-N 3.12Å; Q172-T206 PolarHBondContact O-OG1 3.25Å; Q172-T206 VanDerWaalsContact O-OG1 3.12Å; L196-T206 WeakPolarHBondContact CD1-OG1 3.1Å; P200-T206 HydrophobicContact CG-CG2 3.47Å; P200-T206 VanDerWaalsContact CG-CG2 3.47Å; K204-T206 PolarHBondContact O-N 2.89Å; K204-T206 VanDerWaalsContact O-N 3.11Å | ||
| 207 | L | 87.5 | Confident | 84.3 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | trans | -88.7 | 121 | 174.8 | -170.5 | 67.1 | 0 | 0 | 0 | 110 | W155 Q172 G173 L176 I194 L196 D211 I212 Y225 | W155-L207 HydrophobicContact CZ2-CD2 3.91Å; W155-L207 HydrophobicContact CZ2-CG 3.96Å; W155-L207 PolarHBondContact NE1-O 2.79Å; Q172-L207 PolarHBondContact O-N 3.39Å; G173-L207 WeakPolarHBondContact O-CD2 3.45Å; L176-L207 HydrophobicContact CD2-CD2 4.26Å; I194-L207 HydrophobicContact CD1-CD2 4.07Å; L196-L207 HydrophobicContact CD2-CB 4.33Å; L207-D211 HydrophobicContact CD1-CB 3.83Å; L207-I212 HydrophobicContact CD1-CD1 4.19Å; L207-I212 HydrophobicContact CD1-CG1 4.12Å; L207-I212 HydrophobicContact CD2-CD1 4.12Å; L207-I212 HydrophobicContact CD2-CG1 4.09Å; L207-I212 HydrophobicContact CG-CG1 4.21Å; L207-Y225 HydrophobicContact CD1-CD2 3.7Å; L207-Y225 HydrophobicContact CD1-CE2 3.31Å | ||
| 208 | S | 88.9 | Confident | 85 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | trans | -102.6 | 162.8 | 175.9 | 76.1 | 0 | 0 | 0 | 0 | 111.8 | R210 D211 | S208-R210 PolarHBondContact O-N 3.46Å; S208-R210 PolarHBondContact OG-N 3.39Å; S208-D211 WeakPolarHBondContact CB-OD2 3.41Å; S208-D211 PolarHBondContact N-OD2 3.49Å; S208-D211 PolarHBondContact O-N 2.9Å; S208-D211 VanDerWaalsContact O-N 3.15Å; S208-D211 VanDerWaalsContact OG-CG 3.3Å; S208-D211 PolarHBondContact OG-OD2 3.26Å | ||
| 209 | E | 89.1 | Confident | 85.7 | Confident | 98 Ų | 98 | 62.2 Ų | 62.2 | 46% | 0.458 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -54.2 | -36.8 | 173.1 | -175.2 | -172.3 | 151.8 | 0 | 0 | 111.9 | W155 D211 I212 | W155-E209 HydrophobicContact CB-CB 4.24Å; W155-E209 HydrophobicContact CD2-CB 4.07Å; W155-E209 HydrophobicContact CE3-CB 4.14Å; W155-E209 HydrophobicContact CE3-CG 4.36Å; W155-E209 HydrophobicContact CG-CB 4.13Å; E209-D211 PolarHBondContact O-N 3.44Å; E209-I212 PolarHBondContact O-N 2.89Å; E209-I212 VanDerWaalsContact O-N 3.15Å |
| 210 | R | 87.9 | Confident | 86.7 | Confident | 234 Ų | 234 | 62.3 Ų | 62.3 | 88% | 0.883 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -67.8 | -19.7 | -177.8 | -62.3 | -177.9 | 179.3 | -174.4 | -1.4 | 113.9 | S208 I212 | S208-R210 PolarHBondContact O-N 3.46Å; S208-R210 PolarHBondContact OG-N 3.39Å; R210-I212 VanDerWaalsContact C-N 3.3Å |
| 211 | D | 90.4 | Very high | 87.9 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -85.8 | -7.4 | 179.8 | -53.9 | -52 | 0 | 0 | 0 | 112 | L207 S208 E209 Y225 L226 H228 | L207-D211 HydrophobicContact CD1-CB 3.83Å; S208-D211 WeakPolarHBondContact CB-OD2 3.41Å; S208-D211 PolarHBondContact N-OD2 3.49Å; S208-D211 PolarHBondContact O-N 2.9Å; S208-D211 VanDerWaalsContact O-N 3.15Å; S208-D211 VanDerWaalsContact OG-CG 3.3Å; S208-D211 PolarHBondContact OG-OD2 3.26Å; E209-D211 PolarHBondContact O-N 3.44Å; D211-Y225 HydrophobicContact CB-CD2 4.4Å; D211-Y225 HydrophobicContact CB-CE2 4.27Å; D211-L226 PolarHBondContact O-N 2.9Å; D211-H228 IonicContact OD1-CD2 3.46Å; D211-H228 IonicContact OD1-NE2 2.69Å |
| 212 | I | 93.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.9 | -173.5 | -62.2 | -71.6 | 0 | 0 | 0 | 110.1 | W155 L166 L176 I194 L207 E209 R210 V223 M224 Y225 | W155-I212 HydrophobicContact CH2-CB 4.04Å; W155-I212 HydrophobicContact CH2-CG1 3.75Å; W155-I212 HydrophobicContact CH2-CG2 4.28Å; W155-I212 HydrophobicContact CZ2-CG1 4.18Å; W155-I212 HydrophobicContact CZ3-CB 4.47Å; L166-I212 HydrophobicContact CD2-CG2 4.17Å; L176-I212 HydrophobicContact CD1-CD1 4.39Å; I194-I212 HydrophobicContact CD1-CD1 3.51Å; L207-I212 HydrophobicContact CD1-CD1 4.19Å; L207-I212 HydrophobicContact CD1-CG1 4.12Å; L207-I212 HydrophobicContact CD2-CD1 4.12Å; L207-I212 HydrophobicContact CD2-CG1 4.09Å; L207-I212 HydrophobicContact CG-CG1 4.21Å; E209-I212 PolarHBondContact O-N 2.89Å; E209-I212 VanDerWaalsContact O-N 3.15Å; R210-I212 VanDerWaalsContact C-N 3.3Å; I212-V223 HydrophobicContact CD1-CG1 4.44Å; I212-V223 HydrophobicContact CG2-CG1 3.81Å; I212-M224 CarbonylContact C-O 3.47Å; I212-M224 WeakPolarHBondContact CA-O 3.33Å; I212-Y225 HydrophobicContact CD1-CD2 3.74Å; I212-Y225 HydrophobicContact CD1-CG 4.12Å |
| 213 | A | 94.4 | Very high | 89.7 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | M224 L267 | A213-M224 HydrophobicContact CB-CB 4.4Å; A213-M224 HydrophobicContact CB-CE 3.68Å; A213-M224 PolarHBondContact N-O 2.96Å; A213-M224 PolarHBondContact O-N 2.7Å; A213-L267 HydrophobicContact CB-CD1 4.11Å |
| 214 | M | 95.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.7 | 177.7 | -71.8 | -157.7 | -66 | 0 | 0 | 110.8 | Q157 C159 L166 Y222 V223 | Q157-M214 VanDerWaalsContact C-CE 3.48Å; Q157-M214 HydrophobicContact CB-CE 3.85Å; Q157-M214 HydrophobicContact CG-CB 4.31Å; Q157-M214 HydrophobicContact CG-CE 3.69Å; Q157-M214 HydrophobicContact CG-CG 4.1Å; Q157-M214 WeakPolarHBondContact O-CE 3.48Å; C159-M214 HydrophobicContact CB-CB 4.16Å; C159-M214 HydrophobicContact CB-CE 3.87Å; L166-M214 HydrophobicContact CB-CE 3.73Å; L166-M214 HydrophobicContact CB-SD 3.54Å; L166-M214 VanDerWaalsContact CB-SD 3.54Å; L166-M214 HydrophobicContact CD2-CG 4.06Å; L166-M214 HydrophobicContact CD2-SD 3.78Å; L166-M214 HydrophobicContact CG-SD 4.25Å; M214-Y222 WeakPolarHBondContact CA-O 3.15Å; M214-V223 HydrophobicContact CG-CG2 4.16Å; M214-V223 HydrophobicContact SD-CG2 4.3Å |
| 215 | A | 94.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 162.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y222 M224 I269 | A215-Y222 PolarHBondContact N-O 3.11Å; A215-Y222 VanDerWaalsContact N-O 3.15Å; A215-Y222 PolarHBondContact O-N 2.84Å; A215-M224 HydrophobicContact CB-CE 4.29Å; A215-I269 HydrophobicContact CB-CD1 2.99Å; A215-I269 HydrophobicContact CB-CG1 4.36Å |
| 216 | T | 93.1 | Very high | 91.9 | Very high | 19 Ų | 19 | 34.5 Ų | 34.5 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.7 | 175.6 | -43.4 | 0 | 0 | 0 | 0 | 109.9 | E161 Q220 | E161-T216 VanDerWaalsContact CD-OG1 3.22Å; E161-T216 WeakPolarHBondContact OE2-CB 3.39Å; E161-T216 PolarHBondContact OE2-OG1 3.5Å; T216-Q220 CarbonylContact C-O 3.52Å; T216-Q220 VanDerWaalsContact CA-O 3.31Å; T216-Q220 WeakPolarHBondContact CA-O 3.4Å |
| 217 | I | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122.1 | 177.9 | -48.6 | 175.6 | 0 | 0 | 0 | 107.2 | G219 Q220 Y222 M224 L242 I269 N272 I274 I289 | I217-G219 PolarHBondContact O-N 2.96Å; I217-Q220 PolarHBondContact N-O 3.49Å; I217-Q220 PolarHBondContact O-N 3.29Å; I217-Y222 HydrophobicContact CB-CD2 3.82Å; I217-Y222 HydrophobicContact CB-CE2 4.01Å; I217-Y222 HydrophobicContact CD1-CD2 4.1Å; I217-Y222 HydrophobicContact CG1-CD2 4.07Å; I217-M224 HydrophobicContact CD1-SD 4.29Å; I217-L242 HydrophobicContact CD1-CD2 4.16Å; I217-I269 HydrophobicContact CD1-CD1 3.9Å; I217-I269 HydrophobicContact CD1-CG1 4.43Å; I217-I269 HydrophobicContact CG1-CD1 3.86Å; I217-I269 HydrophobicContact CG1-CG1 4.46Å; I217-I269 HydrophobicContact CG1-CG2 4.5Å; I217-N272 HydrophobicContact CG2-CB 4.13Å; I217-N272 VanDerWaalsContact CG2-O 3.32Å; I217-N272 WeakPolarHBondContact CG2-O 3.5Å; I217-I274 HydrophobicContact CD1-CD1 3.69Å; I217-I274 HydrophobicContact CD1-CG1 3.65Å; I217-I289 HydrophobicContact CB-CD1 4.31Å; I217-I289 HydrophobicContact CG2-CD1 3.77Å; I217-I289 HydrophobicContact CG2-CG1 4.17Å |
| 218 | Y | 90 | Very high | 91.9 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 39.5 | -174.3 | -62.7 | -69.5 | 0 | 0 | 0 | 113.6 | Q220 N272 D288 I289 R290 R380 R381 | Y218-Q220 PolarHBondContact O-N 3.33Å; Y218-N272 HydrophobicContact CD1-CB 3.86Å; Y218-N272 HydrophobicContact CD2-CB 4.12Å; Y218-N272 HydrophobicContact CE1-CB 3.71Å; Y218-N272 HydrophobicContact CE2-CB 3.98Å; Y218-N272 HydrophobicContact CG-CB 4.06Å; Y218-N272 PolarHBondContact N-OD1 3.41Å; Y218-D288 WeakPolarHBondContact CE2-OD1 3.24Å; Y218-D288 PolarHBondContact OH-OD1 3.22Å; Y218-D288 PolarHBondContact OH-OD2 3Å; Y218-D288 VanDerWaalsContact OH-OD2 3.13Å; Y218-I289 HydrophobicContact CD2-CD1 4.1Å; Y218-I289 HydrophobicContact CD2-CG1 3.81Å; Y218-I289 HydrophobicContact CE2-CG1 3.8Å; Y218-R290 HydrophobicContact CD2-CB 4.45Å; Y218-R290 HydrophobicContact CD2-CG 3.68Å; Y218-R290 HydrophobicContact CE2-CB 3.94Å; Y218-R290 HydrophobicContact CE2-CG 3.67Å; Y218-R290 HydrophobicContact CG-CG 4.21Å; Y218-R380 HydrophobicContact CE1-CB 4.47Å; Y218-R381 PolarHBondContact OH-NH2 3.42Å |
| 219 | G | 88.5 | Confident | 91.1 | Very high | 67 Ų | 67 | 38 Ų | 38 | 69% | 0.691 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76 | 3.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I217 | I217-G219 PolarHBondContact O-N 2.96Š|
| 220 | Q | 92 | Very high | 89.8 | Confident | 72 Ų | 72 | 37.9 Ų | 37.9 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 140.2 | 177.7 | -65.6 | -178.1 | 10 | 0 | 0 | 110.7 | T216 I217 Y218 Y222 H244 | T216-Q220 CarbonylContact C-O 3.52Å; T216-Q220 VanDerWaalsContact CA-O 3.31Å; T216-Q220 WeakPolarHBondContact CA-O 3.4Å; I217-Q220 PolarHBondContact N-O 3.49Å; I217-Q220 PolarHBondContact O-N 3.29Å; Y218-Q220 PolarHBondContact O-N 3.33Å; Q220-Y222 HydrophobicContact CB-CD2 4.37Å; Q220-Y222 HydrophobicContact CB-CE2 3.66Å; Q220-Y222 VanDerWaalsContact O-CD2 3.3Å; Q220-Y222 WeakPolarHBondContact O-CD2 3.41Å; Q220-Y222 PolarHBondContact OE1-OH 2.88Å; Q220-H244 PolarHBondContact OE1-NE2 2.89Å |
| 221 | L | 94.7 | Very high | 88.1 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126 | 178.2 | -179.5 | 61.7 | 0 | 0 | 0 | 110.1 | C159 T162 V164 L245 | C159-L221 HydrophobicContact CB-CD1 4.33Å; T162-L221 HydrophobicContact CG2-CB 4.38Å; T162-L221 HydrophobicContact CG2-CD1 4.27Å; T162-L221 HydrophobicContact CG2-CD2 4.48Å; V164-L221 HydrophobicContact CB-CD2 3.94Å; V164-L221 HydrophobicContact CG1-CD2 4.08Å; V164-L221 HydrophobicContact CG2-CD2 3.81Å; L221-L245 HydrophobicContact CD2-CB 4.45Å; L221-L245 HydrophobicContact CD2-CD2 3.88Å; L221-L245 HydrophobicContact CD2-CG 4.39Å; L221-L245 HydrophobicContact CG-CB 4.38Å; L221-L245 HydrophobicContact CG-CD2 4.5Å; L221-L245 PolarHBondContact O-N 3.31Å |
| 222 | Y | 95.9 | Very high | 86.5 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.8 | 175.2 | -67.6 | -86.2 | 0 | 0 | 0 | 111.5 | M214 A215 I217 Q220 L242 Y243 H244 S254 H255 I289 | M214-Y222 WeakPolarHBondContact CA-O 3.15Å; A215-Y222 PolarHBondContact N-O 3.11Å; A215-Y222 VanDerWaalsContact N-O 3.15Å; A215-Y222 PolarHBondContact O-N 2.84Å; I217-Y222 HydrophobicContact CB-CD2 3.82Å; I217-Y222 HydrophobicContact CB-CE2 4.01Å; I217-Y222 HydrophobicContact CD1-CD2 4.1Å; I217-Y222 HydrophobicContact CG1-CD2 4.07Å; Q220-Y222 HydrophobicContact CB-CD2 4.37Å; Q220-Y222 HydrophobicContact CB-CE2 3.66Å; Q220-Y222 VanDerWaalsContact O-CD2 3.3Å; Q220-Y222 WeakPolarHBondContact O-CD2 3.41Å; Q220-Y222 PolarHBondContact OE1-OH 2.88Å; Y222-L242 HydrophobicContact CD1-CB 4.06Å; Y222-L242 HydrophobicContact CD1-CD2 4.11Å; Y222-L242 HydrophobicContact CG-CD2 4.19Å; Y222-Y243 WeakPolarHBondContact CA-O 3.49Å; Y222-H244 HydrophobicContact CD1-CB 4.05Å; Y222-H244 HydrophobicContact CE1-CB 3.67Å; Y222-S254 WeakPolarHBondContact CE1-OG 3.43Å; Y222-H255 AromaticContact CE1-CD2 3.98Å; Y222-I289 HydrophobicContact CE2-CD1 3.95Å |
| 223 | V | 96.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 115.7 | 163 | -177 | 0 | 0 | 0 | 0 | 107.3 | L166 L176 F192 I212 M214 Y243 L245 | L166-V223 HydrophobicContact CD2-CB 4.49Å; L166-V223 HydrophobicContact CD2-CG1 3.74Å; L166-V223 HydrophobicContact CD2-CG2 3.88Å; L176-V223 HydrophobicContact CD1-CG1 4.35Å; F192-V223 HydrophobicContact CZ-CB 4.25Å; F192-V223 HydrophobicContact CZ-CG1 4.3Å; F192-V223 HydrophobicContact CZ-CG2 4Å; I212-V223 HydrophobicContact CD1-CG1 4.44Å; I212-V223 HydrophobicContact CG2-CG1 3.81Å; M214-V223 HydrophobicContact CG-CG2 4.16Å; M214-V223 HydrophobicContact SD-CG2 4.3Å; V223-Y243 PolarHBondContact N-O 3.33Å; V223-Y243 PolarHBondContact O-N 3.36Å; V223-L245 HydrophobicContact CG2-CB 4.5Å; V223-L245 HydrophobicContact CG2-CD2 4.2Å |
| 224 | M | 95.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.1 | 179.9 | -60 | -177.2 | -71.1 | 0 | 0 | 108.8 | I212 A213 A215 I217 V240 V241 L242 L267 I269 I274 | I212-M224 CarbonylContact C-O 3.47Å; I212-M224 WeakPolarHBondContact CA-O 3.33Å; A213-M224 HydrophobicContact CB-CB 4.4Å; A213-M224 HydrophobicContact CB-CE 3.68Å; A213-M224 PolarHBondContact N-O 2.96Å; A213-M224 PolarHBondContact O-N 2.7Å; A215-M224 HydrophobicContact CB-CE 4.29Å; I217-M224 HydrophobicContact CD1-SD 4.29Å; M224-V240 HydrophobicContact CB-CG1 4.12Å; M224-V241 WeakPolarHBondContact CA-O 3.32Å; M224-L242 HydrophobicContact CG-CG 4.13Å; M224-L267 HydrophobicContact CB-CD1 4.17Å; M224-L267 HydrophobicContact CE-CD1 4.46Å; M224-I269 HydrophobicContact CE-CD1 3.44Å; M224-I269 VanDerWaalsContact CE-CD1 3.44Å; M224-I269 HydrophobicContact CE-CG1 4.31Å; M224-I269 HydrophobicContact SD-CD1 3.97Å; M224-I274 HydrophobicContact SD-CG2 4.21Å |
| 225 | Y | 94.8 | Very high | 80.8 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120 | 176.8 | 169 | -130.4 | 0 | 0 | 0 | 110.5 | I194 L207 D211 I212 K227 V240 V241 | I194-Y225 HydrophobicContact CD1-CG 4.26Å; I194-Y225 HydrophobicContact CG2-CD1 3.42Å; I194-Y225 VanDerWaalsContact CG2-CD1 3.42Å; I194-Y225 HydrophobicContact CG2-CD2 4.38Å; I194-Y225 HydrophobicContact CG2-CE1 3.48Å; I194-Y225 VanDerWaalsContact CG2-CE1 3.48Å; I194-Y225 HydrophobicContact CG2-CE2 4.46Å; I194-Y225 HydrophobicContact CG2-CG 3.89Å; L207-Y225 HydrophobicContact CD1-CD2 3.7Å; L207-Y225 HydrophobicContact CD1-CE2 3.31Å; D211-Y225 HydrophobicContact CB-CD2 4.4Å; D211-Y225 HydrophobicContact CB-CE2 4.27Å; I212-Y225 HydrophobicContact CD1-CD2 3.74Å; I212-Y225 HydrophobicContact CD1-CG 4.12Å; Y225-K227 HydrophobicContact CD1-CB 4.18Å; Y225-K227 HydrophobicContact CE1-CB 3.77Å; Y225-K227 HydrophobicContact CE1-CD 4.46Å; Y225-K227 HydrophobicContact CE1-CG 3.9Å; Y225-K227 PolarHBondContact O-N 3.29Å; Y225-V240 CarbonylContact O-C 3.6Å; Y225-V240 WeakPolarHBondContact O-CA 3.12Å; Y225-V241 HydrophobicContact CD1-CB 4.46Å; Y225-V241 PolarHBondContact N-O 2.91Å; Y225-V241 PolarHBondContact O-N 3.43Å |
| 226 | L | 92 | Very high | 79.2 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 99 | 173.7 | -176.3 | 65.5 | 0 | 0 | 0 | 109.6 | D211 H228 V240 L259 F265 | D211-L226 PolarHBondContact O-N 2.9Å; L226-H228 VanDerWaalsContact CD2-NE2 3.33Å; L226-H228 WeakPolarHBondContact CD2-NE2 3.35Å; L226-H228 PolarHBondContact O-N 3.21Å; L226-V240 HydrophobicContact CD1-CG2 3.82Å; L226-L259 HydrophobicContact CD1-CD1 4.04Å; L226-F265 HydrophobicContact CD1-CB 4.07Å; L226-F265 HydrophobicContact CD1-CD2 3.91Å; L226-F265 HydrophobicContact CD1-CG 4.17Å; L226-F265 HydrophobicContact CD2-CB 3.8Å; L226-F265 HydrophobicContact CD2-CD2 4.09Å; L226-F265 HydrophobicContact CD2-CG 4.41Å; L226-F265 HydrophobicContact CG-CD2 4.46Å |
| 227 | K | 87.9 | Confident | 78.6 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 105.1 | 179.6 | -168 | -177.2 | -178.9 | -157.3 | 0 | 110.1 | P197 Y225 H229 A238 E239 V241 | P197-K227 HydrophobicContact CG-CD 4.44Å; P197-K227 HydrophobicContact CG-CG 3.87Å; Y225-K227 HydrophobicContact CD1-CB 4.18Å; Y225-K227 HydrophobicContact CE1-CB 3.77Å; Y225-K227 HydrophobicContact CE1-CD 4.46Å; Y225-K227 HydrophobicContact CE1-CG 3.9Å; Y225-K227 PolarHBondContact O-N 3.29Å; K227-H229 WeakPolarHBondContact CE-NE2 3.12Å; K227-H229 PolarHBondContact NZ-NE2 3.18Å; K227-A238 WeakPolarHBondContact O-CA 3.39Å; K227-E239 PolarHBondContact N-O 3.26Å; K227-E239 PolarHBondContact O-N 2.86Å; K227-V241 HydrophobicContact CB-CG2 4.41Å |
| 228 | H | 82.7 | Confident | 78.4 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 37% | 0.366 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 120.5 | 171.1 | -66.9 | -74.5 | 0 | 0 | 0 | 110.7 | D211 L226 G263 F265 | D211-H228 IonicContact OD1-CD2 3.46Å; D211-H228 IonicContact OD1-NE2 2.69Å; L226-H228 VanDerWaalsContact CD2-NE2 3.33Å; L226-H228 WeakPolarHBondContact CD2-NE2 3.35Å; L226-H228 PolarHBondContact O-N 3.21Å; H228-G263 PolarHBondContact CE1-O 3.13Å; H228-F265 AromaticContact CE1-CD2 3.97Å |
| 229 | H | 72.1 | Confident | 78.5 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 137.3 | 168.5 | -65.7 | 101.8 | 0 | 0 | 0 | 110.1 | K227 G237 E239 | K227-H229 WeakPolarHBondContact CE-NE2 3.12Å; K227-H229 PolarHBondContact NZ-NE2 3.18Å; H229-G237 PolarHBondContact ND1-O 3.28Å; H229-E239 IonicContact CE1-OE2 3.89Å; H229-E239 PolarHBondContact CE1-OE2 3.16Å |
| 230 | S | 61.3 | Low | 78.8 | Confident | 96 Ų | 96 | 51 Ų | 51 | 67% | 0.671 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 140.3 | 168.3 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | T232 S235 | S230-T232 PolarHBondContact O-N 3.38Å; S230-S235 PolarHBondContact O-OG 3.18Å |
| 231 | R | 52.8 | Low | 79 | Confident | 203 Ų | 203 | 47.8 Ų | 47.8 | 77% | 0.766 | 27% | 0.265 | S | S | * | . | trans | -69.4 | 94.3 | -177.2 | -170.1 | 179.3 | -81.1 | -178.4 | -4.9 | 109.6 | T262 | R231-T262 PolarHBondContact NH2-OG1 3.48Å; R231-T262 VanDerWaalsContact NH2-OG1 3.11Å | ||
| 232 | T | 56.4 | Low | 79 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 55% | 0.546 | 26% | 0.262 | S | S | . | . | trans | -112.7 | 156.9 | 166 | 62.8 | 0 | 0 | 0 | 0 | 109.8 | S230 N234 S235 | S230-T232 PolarHBondContact O-N 3.38Å; T232-N234 PolarHBondContact O-N 2.95Å; T232-S235 PolarHBondContact N-OG 2.62Å; T232-S235 PolarHBondContact O-N 3.5Å; T232-S235 PolarHBondContact O-OG 3.43Å | ||
| 233 | A | 52.5 | Low | 79 | Confident | 111 Ų | 111 | 47.3 Ų | 47.3 | 92% | 0.917 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -18.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 234 | N | 52.4 | Low | 78.9 | Confident | 158 Ų | 158 | 49.6 Ų | 49.6 | 85% | 0.845 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 10.8 | -179.6 | -76.6 | -1.7 | 0 | 0 | 0 | 114.2 | T232 | T232-N234 PolarHBondContact O-N 2.95Š|
| 235 | S | 58.1 | Low | 78.8 | Confident | 35 Ų | 35 | 50 Ų | 50 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | trans | -90.2 | 131 | -174.9 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | S230 T232 G237 | S230-S235 PolarHBondContact O-OG 3.18Å; T232-S235 PolarHBondContact N-OG 2.62Å; T232-S235 PolarHBondContact O-N 3.5Å; T232-S235 PolarHBondContact O-OG 3.43Å; S235-G237 PolarHBondContact O-N 3.06Å | ||
| 236 | P | 61.9 | Low | 78.7 | Confident | 61 Ų | 61 | 50.7 Ų | 50.7 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | trans | -78.5 | 21.6 | -175.8 | 32.8 | -36.1 | 0 | 0 | 0 | 114.6 | N260 | P236-N260 WeakPolarHBondContact O-CA 3.27Š| ||
| 237 | G | 79.9 | Confident | 78.3 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | trans | 77.6 | -170.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H229 S235 | H229-G237 PolarHBondContact ND1-O 3.28Å; S235-G237 PolarHBondContact O-N 3.06Å | ||
| 238 | A | 88.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -71.4 | 153.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K227 L259 T261 F265 | K227-A238 WeakPolarHBondContact O-CA 3.39Å; A238-L259 HydrophobicContact CB-CD1 4.03Å; A238-L259 WeakPolarHBondContact O-CB 3.38Å; A238-L259 WeakPolarHBondContact O-CG 3.45Å; A238-L259 PolarHBondContact O-N 3.16Å; A238-L259 VanDerWaalsContact O-N 3.1Å; A238-T261 WeakPolarHBondContact CB-O 3.29Å; A238-T261 PolarHBondContact N-O 3.34Å; A238-F265 HydrophobicContact CB-CD2 4.35Å; A238-F265 HydrophobicContact CB-CE2 3.49Å; A238-F265 VanDerWaalsContact CB-CE2 3.49Å; A238-F265 HydrophobicContact CB-CZ 3.92Å | ||
| 239 | E | 92.7 | Very high | 78.3 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.1 | -179.8 | -62 | -179.2 | 149.7 | 0 | 0 | 110.1 | K227 H229 V256 L257 | K227-E239 PolarHBondContact N-O 3.26Å; K227-E239 PolarHBondContact O-N 2.86Å; H229-E239 IonicContact CE1-OE2 3.89Å; H229-E239 PolarHBondContact CE1-OE2 3.16Å; E239-V256 HydrophobicContact CB-CG1 4.15Å; E239-V256 HydrophobicContact CG-CG1 4.4Å; E239-L257 CarbonylContact C-O 3.59Å; E239-L257 VanDerWaalsContact CA-O 3.27Å; E239-L257 WeakPolarHBondContact CA-O 3.37Å |
| 240 | V | 94.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117 | 169.9 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | M224 Y225 L226 L242 V256 L257 L259 L267 V276 | M224-V240 HydrophobicContact CB-CG1 4.12Å; Y225-V240 CarbonylContact O-C 3.6Å; Y225-V240 WeakPolarHBondContact O-CA 3.12Å; L226-V240 HydrophobicContact CD1-CG2 3.82Å; V240-L242 HydrophobicContact CG1-CD1 4.07Å; V240-V256 CarbonylContact O-C 3.54Å; V240-V256 WeakPolarHBondContact O-CA 3.18Å; V240-L257 HydrophobicContact CB-CB 4.08Å; V240-L257 HydrophobicContact CB-CD1 4.03Å; V240-L257 HydrophobicContact CB-CG 4.16Å; V240-L257 HydrophobicContact CG1-CD1 4.21Å; V240-L257 PolarHBondContact N-O 3.47Å; V240-L257 PolarHBondContact O-N 3.34Å; V240-L259 HydrophobicContact CG2-CD1 4.08Å; V240-L259 HydrophobicContact CG2-CD2 4.19Å; V240-L259 HydrophobicContact CG2-CG 4.4Å; V240-L267 HydrophobicContact CG1-CD1 4.33Å; V240-L267 HydrophobicContact CG2-CD2 4.06Å; V240-V276 HydrophobicContact CG2-CG2 4.38Å |
| 241 | V | 94.9 | Very high | 80.5 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.9 | -179.7 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | M224 Y225 K227 Y243 K253 V256 | M224-V241 WeakPolarHBondContact CA-O 3.32Å; Y225-V241 HydrophobicContact CD1-CB 4.46Å; Y225-V241 PolarHBondContact N-O 2.91Å; Y225-V241 PolarHBondContact O-N 3.43Å; K227-V241 HydrophobicContact CB-CG2 4.41Å; V241-Y243 HydrophobicContact CB-CE2 4.11Å; V241-Y243 HydrophobicContact CG1-CD2 4.13Å; V241-Y243 HydrophobicContact CG1-CE2 3.54Å; V241-K253 HydrophobicContact CG1-CD 3.98Å; V241-K253 HydrophobicContact CG1-CG 3.79Å; V241-V256 HydrophobicContact CG1-CG2 4.41Å; V241-V256 HydrophobicContact CG2-CG2 4.41Å |
| 242 | L | 95.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.9 | 177.8 | -77.2 | 74.5 | 0 | 0 | 0 | 110.5 | I217 Y222 M224 V240 S254 H255 L257 I274 I289 | I217-L242 HydrophobicContact CD1-CD2 4.16Å; Y222-L242 HydrophobicContact CD1-CB 4.06Å; Y222-L242 HydrophobicContact CD1-CD2 4.11Å; Y222-L242 HydrophobicContact CG-CD2 4.19Å; M224-L242 HydrophobicContact CG-CG 4.13Å; V240-L242 HydrophobicContact CG1-CD1 4.07Å; L242-S254 PolarHBondContact O-N 3.44Å; L242-H255 HydrophobicContact CB-CB 3.98Å; L242-H255 HydrophobicContact CD1-CB 4.37Å; L242-H255 HydrophobicContact CD2-CB 4.34Å; L242-H255 HydrophobicContact CG-CB 4.45Å; L242-H255 PolarHBondContact N-O 3.15Å; L242-H255 PolarHBondContact O-N 3.38Å; L242-L257 HydrophobicContact CD1-CD1 3.96Å; L242-L257 HydrophobicContact CD1-CD2 4.22Å; L242-L257 HydrophobicContact CD1-CG 3.8Å; L242-I274 HydrophobicContact CD1-CD1 4.18Å; L242-I274 HydrophobicContact CD2-CD1 3.63Å; L242-I274 HydrophobicContact CG-CD1 4.45Å; L242-I289 HydrophobicContact CD2-CG2 4.04Å |
| 243 | Y | 95.2 | Very high | 84.1 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.9 | 171.8 | -68.8 | -92.3 | 0 | 0 | 0 | 108.9 | F192 I194 Y222 V223 V241 L245 K252 K253 | F192-Y243 HydrophobicContact CD2-CD1 4.39Å; F192-Y243 HydrophobicContact CE2-CD1 4.45Å; F192-Y243 HydrophobicContact CE2-CG 4.32Å; I194-Y243 HydrophobicContact CD1-CE2 4.46Å; I194-Y243 HydrophobicContact CG1-CE2 4.18Å; Y222-Y243 WeakPolarHBondContact CA-O 3.49Å; V223-Y243 PolarHBondContact N-O 3.33Å; V223-Y243 PolarHBondContact O-N 3.36Å; V241-Y243 HydrophobicContact CB-CE2 4.11Å; V241-Y243 HydrophobicContact CG1-CD2 4.13Å; V241-Y243 HydrophobicContact CG1-CE2 3.54Å; Y243-L245 PolarHBondContact O-N 3.11Å; Y243-K252 CarbonylContact C-O 2.94Å; Y243-K252 WeakPolarHBondContact CA-O 3.43Å; Y243-K253 HydrophobicContact CD1-CB 4.1Å; Y243-K253 HydrophobicContact CE1-CB 3.9Å; Y243-K253 HydrophobicContact CE1-CG 4.48Å |
| 244 | H | 94.6 | Very high | 86 | Confident | 49 Ų | 49 | 52 Ų | 52 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 121.7 | 174.4 | 176.6 | -135.1 | 0 | 0 | 0 | 109.2 | Q220 Y222 P246 C251 K252 | Q220-H244 PolarHBondContact OE1-NE2 2.89Å; Y222-H244 HydrophobicContact CD1-CB 4.05Å; Y222-H244 HydrophobicContact CE1-CB 3.67Å; H244-P246 WeakPolarHBondContact O-CD 3.4Å; H244-C251 WeakPolarHBondContact O-CA 3.27Å; H244-C251 PolarHBondContact O-SG 3.14Å; H244-K252 PolarHBondContact N-O 3.14Å; H244-K252 PolarHBondContact O-N 3.28Å |
| 245 | L | 94.1 | Very high | 88 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | trans | -108.5 | 87 | 179.6 | -174.2 | 62.1 | 0 | 0 | 0 | 109.9 | V164 P178 M189 F192 L221 V223 Y243 C251 | V164-L245 HydrophobicContact CG1-CD2 4.31Å; P178-L245 HydrophobicContact CB-CD2 3.88Å; P178-L245 HydrophobicContact CG-CD1 3.78Å; P178-L245 HydrophobicContact CG-CD2 3.98Å; M189-L245 HydrophobicContact CE-CD1 3.98Å; M189-L245 HydrophobicContact CE-CD2 4.37Å; M189-L245 HydrophobicContact CE-CG 3.87Å; F192-L245 HydrophobicContact CE1-CD1 4.26Å; L221-L245 HydrophobicContact CD2-CB 4.45Å; L221-L245 HydrophobicContact CD2-CD2 3.88Å; L221-L245 HydrophobicContact CD2-CG 4.39Å; L221-L245 HydrophobicContact CG-CB 4.38Å; L221-L245 HydrophobicContact CG-CD2 4.5Å; L221-L245 PolarHBondContact O-N 3.31Å; V223-L245 HydrophobicContact CG2-CB 4.5Å; V223-L245 HydrophobicContact CG2-CD2 4.2Å; Y243-L245 PolarHBondContact O-N 3.11Å; L245-C251 HydrophobicContact CD1-CB 4.2Å | ||
| 246 | P | 91.8 | Very high | 89.7 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 19% | 0.188 | 23% | 0.233 | C | C | . | . | trans | -69.6 | 151.9 | 176.4 | 31.7 | -36.4 | 0 | 0 | 0 | 110.5 | M189 H244 E248 | M189-P246 WeakPolarHBondContact CE-O 3.42Å; H244-P246 WeakPolarHBondContact O-CD 3.4Å; P246-E248 WeakPolarHBondContact CB-O 3.38Å; P246-E248 WeakPolarHBondContact CG-O 3.26Å; P246-E248 PolarHBondContact O-N 2.99Å | ||
| 247 | R | 84.3 | Confident | 91.2 | Very high | 152 Ų | 152 | 41.3 Ų | 41.3 | 57% | 0.574 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -58.8 | -35.5 | 174.9 | -74.7 | -169.3 | 178.7 | -86.6 | -2.8 | 112.1 | T162 | T162-R247 PolarHBondContact O-NH2 3.15Š|
| 248 | E | 84.1 | Confident | 91.8 | Very high | 178 Ų | 178 | 43.9 Ų | 43.9 | 83% | 0.832 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -127.7 | 134 | 177.1 | -64.6 | -179.7 | -174.8 | 0 | 0 | 109.3 | P246 | P246-E248 WeakPolarHBondContact CB-O 3.38Å; P246-E248 WeakPolarHBondContact CG-O 3.26Å; P246-E248 PolarHBondContact O-N 2.99Å |
| 249 | G | 86.1 | Confident | 91.8 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 111.6 | -170.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T190 | T190-G249 WeakPolarHBondContact CB-O 3.38Å; T190-G249 PolarHBondContact OG1-O 2.93Å |
| 250 | A | 88.9 | Confident | 91.6 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 46% | 0.463 | 24% | 0.242 | S | C | . | . | trans | -89.4 | 141.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 251 | C | 91.8 | Very high | 91.2 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | trans | -66.8 | 134.1 | 170.7 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | F192 H244 L245 | F192-C251 HydrophobicContact CB-CB 3.69Å; F192-C251 HydrophobicContact CD1-CB 3.62Å; F192-C251 HydrophobicContact CD2-CB 4.28Å; F192-C251 HydrophobicContact CE1-CB 4.33Å; F192-C251 HydrophobicContact CG-CB 3.6Å; H244-C251 WeakPolarHBondContact O-CA 3.27Å; H244-C251 PolarHBondContact O-SG 3.14Å; L245-C251 HydrophobicContact CD1-CB 4.2Å | ||
| 252 | K | 91.2 | Very high | 90.8 | Very high | 148 Ų | 148 | 51.5 Ų | 51.5 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.6 | -179.5 | -65.8 | -178.1 | -177.4 | 179.8 | 0 | 110.7 | Y243 H244 S254 | Y243-K252 CarbonylContact C-O 2.94Å; Y243-K252 WeakPolarHBondContact CA-O 3.43Å; H244-K252 PolarHBondContact N-O 3.14Å; H244-K252 PolarHBondContact O-N 3.28Å; K252-S254 PolarHBondContact O-N 3.32Å |
| 253 | K | 93.1 | Very high | 90.3 | Very high | 78 Ų | 78 | 53 Ų | 53 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 120.8 | 165.8 | -178.2 | 179.3 | -179.5 | -179.2 | 0 | 108.2 | V241 Y243 V298 | V241-K253 HydrophobicContact CG1-CD 3.98Å; V241-K253 HydrophobicContact CG1-CG 3.79Å; Y243-K253 HydrophobicContact CD1-CB 4.1Å; Y243-K253 HydrophobicContact CE1-CB 3.9Å; Y243-K253 HydrophobicContact CE1-CG 4.48Å; K253-V298 HydrophobicContact CB-CG2 4.45Å; K253-V298 HydrophobicContact CD-CG1 4.35Å; K253-V298 HydrophobicContact CD-CG2 4.21Å; K253-V298 HydrophobicContact CG-CG1 4.15Å; K253-V298 HydrophobicContact CG-CG2 4.07Å |
| 254 | S | 91.7 | Very high | 90 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -35.2 | -174.3 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | Y222 L242 K252 V298 N299 | Y222-S254 WeakPolarHBondContact CE1-OG 3.43Å; L242-S254 PolarHBondContact O-N 3.44Å; K252-S254 PolarHBondContact O-N 3.32Å; S254-V298 WeakPolarHBondContact O-CA 3.4Å; S254-N299 PolarHBondContact O-N 3.1Å |
| 255 | H | 94.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 9% | 0.093 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.8 | -177.7 | -47.6 | -70.4 | 0 | 0 | 0 | 112.7 | Y222 L242 I289 N299 H301 | Y222-H255 AromaticContact CE1-CD2 3.98Å; L242-H255 HydrophobicContact CB-CB 3.98Å; L242-H255 HydrophobicContact CD1-CB 4.37Å; L242-H255 HydrophobicContact CD2-CB 4.34Å; L242-H255 HydrophobicContact CG-CB 4.45Å; L242-H255 PolarHBondContact N-O 3.15Å; L242-H255 PolarHBondContact O-N 3.38Å; H255-I289 HydrophobicContact CB-CG2 4.47Å; H255-N299 CarbonylContact C-O 3.55Å; H255-N299 VanDerWaalsContact CA-O 3.24Å; H255-N299 WeakPolarHBondContact CA-O 3.43Å; H255-H301 AromaticContact CG-NE2 3.7Å; H255-H301 AromaticContact ND1-NE2 3.21Å; H255-H301 PolarHBondContact ND1-NE2 3.18Å |
| 256 | V | 93.8 | Very high | 89.8 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.4 | 171.9 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | E239 V240 V241 V298 N299 T300 H301 | E239-V256 HydrophobicContact CB-CG1 4.15Å; E239-V256 HydrophobicContact CG-CG1 4.4Å; V240-V256 CarbonylContact O-C 3.54Å; V240-V256 WeakPolarHBondContact O-CA 3.18Å; V241-V256 HydrophobicContact CG1-CG2 4.41Å; V241-V256 HydrophobicContact CG2-CG2 4.41Å; V256-V298 HydrophobicContact CG2-CG1 3.68Å; V256-N299 PolarHBondContact N-O 2.76Å; V256-T300 CarbonylContact O-C 3.55Å; V256-T300 WeakPolarHBondContact O-CA 3.28Å; V256-H301 PolarHBondContact O-N 3.33Å |
| 257 | L | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.1 | 176.4 | -42.2 | -178.1 | 0 | 0 | 0 | 108.7 | E239 V240 L242 I274 F287 I289 H301 | E239-L257 CarbonylContact C-O 3.59Å; E239-L257 VanDerWaalsContact CA-O 3.27Å; E239-L257 WeakPolarHBondContact CA-O 3.37Å; V240-L257 HydrophobicContact CB-CB 4.08Å; V240-L257 HydrophobicContact CB-CD1 4.03Å; V240-L257 HydrophobicContact CB-CG 4.16Å; V240-L257 HydrophobicContact CG1-CD1 4.21Å; V240-L257 PolarHBondContact N-O 3.47Å; V240-L257 PolarHBondContact O-N 3.34Å; L242-L257 HydrophobicContact CD1-CD1 3.96Å; L242-L257 HydrophobicContact CD1-CD2 4.22Å; L242-L257 HydrophobicContact CD1-CG 3.8Å; L257-I274 HydrophobicContact CD1-CB 4.08Å; L257-I274 HydrophobicContact CD1-CD1 3.73Å; L257-I274 HydrophobicContact CD1-CG2 3.76Å; L257-F287 HydrophobicContact CB-CD1 3.88Å; L257-F287 HydrophobicContact CB-CD2 4.35Å; L257-F287 HydrophobicContact CB-CE1 3.85Å; L257-F287 HydrophobicContact CB-CE2 4.33Å; L257-F287 HydrophobicContact CB-CG 4.12Å; L257-F287 HydrophobicContact CB-CZ 4.09Å; L257-F287 HydrophobicContact CD1-CB 3.93Å; L257-F287 HydrophobicContact CD1-CD1 4.41Å; L257-F287 HydrophobicContact CD1-CD2 3.94Å; L257-F287 HydrophobicContact CD1-CG 3.85Å; L257-F287 HydrophobicContact CD2-CB 3.99Å; L257-F287 HydrophobicContact CD2-CD1 4.02Å; L257-F287 HydrophobicContact CD2-CG 4.09Å; L257-F287 HydrophobicContact CG-CB 4.48Å; L257-F287 HydrophobicContact CG-CD1 4.32Å; L257-F287 HydrophobicContact CG-CG 4.24Å; L257-I289 HydrophobicContact CD2-CG2 4.32Å; L257-H301 HydrophobicContact CD2-CB 3.76Å |
| 258 | K | 91.9 | Very high | 90.5 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117.6 | 178.5 | -71.4 | -175.7 | 168.9 | 178.5 | 0 | 110.2 | F287 T300 H301 | K258-F287 WeakPolarHBondContact O-CZ 3.44Å; K258-T300 HydrophobicContact CD-CG2 3.64Å; K258-T300 VanDerWaalsContact CE-CG2 3.44Å; K258-T300 HydrophobicContact CG-CG2 3.88Å; K258-H301 PolarHBondContact N-O 2.92Å; K258-H301 VanDerWaalsContact N-O 3.11Å |
| 259 | L | 90 | Very high | 91 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | trans | -88.5 | -21.6 | 179.2 | -49.9 | -177.6 | 0 | 0 | 0 | 112.4 | L226 A238 V240 T261 F265 V276 L285 F287 | L226-L259 HydrophobicContact CD1-CD1 4.04Å; A238-L259 HydrophobicContact CB-CD1 4.03Å; A238-L259 WeakPolarHBondContact O-CB 3.38Å; A238-L259 WeakPolarHBondContact O-CG 3.45Å; A238-L259 PolarHBondContact O-N 3.16Å; A238-L259 VanDerWaalsContact O-N 3.1Å; V240-L259 HydrophobicContact CG2-CD1 4.08Å; V240-L259 HydrophobicContact CG2-CD2 4.19Å; V240-L259 HydrophobicContact CG2-CG 4.4Å; L259-T261 PolarHBondContact O-N 2.86Å; L259-T261 PolarHBondContact O-OG1 3.36Å; L259-F265 HydrophobicContact CB-CE1 4.45Å; L259-F265 HydrophobicContact CD1-CD1 3.85Å; L259-F265 HydrophobicContact CD1-CD2 4.21Å; L259-F265 HydrophobicContact CD1-CE1 3.7Å; L259-F265 HydrophobicContact CD1-CE2 4.09Å; L259-F265 HydrophobicContact CD1-CG 4.09Å; L259-F265 HydrophobicContact CD1-CZ 3.83Å; L259-V276 HydrophobicContact CD1-CG1 3.93Å; L259-V276 HydrophobicContact CD2-CB 4.09Å; L259-V276 HydrophobicContact CD2-CG1 3.83Å; L259-V276 HydrophobicContact CD2-CG2 3.94Å; L259-L285 HydrophobicContact CB-CD1 4.42Å; L259-L285 HydrophobicContact CD2-CD1 4.19Å; L259-F287 HydrophobicContact CD2-CE2 3.78Å; L259-F287 HydrophobicContact CD2-CZ 3.8Å | ||
| 260 | N | 86.6 | Confident | 91.4 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | trans | 53.3 | 16.3 | -178 | -52.6 | -40.5 | 0 | 0 | 0 | 114.4 | P236 Q302 | P236-N260 WeakPolarHBondContact O-CA 3.27Å; N260-Q302 PolarHBondContact ND2-OE1 3.47Å | ||
| 261 | T | 86.2 | Confident | 91.4 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | trans | -140.2 | 164.7 | -177.7 | 61.7 | 0 | 0 | 0 | 0 | 109.9 | A238 L259 | A238-T261 WeakPolarHBondContact CB-O 3.29Å; A238-T261 PolarHBondContact N-O 3.34Å; L259-T261 PolarHBondContact O-N 2.86Å; L259-T261 PolarHBondContact O-OG1 3.36Å | ||
| 262 | T | 86.9 | Confident | 91.4 | Very high | 43 Ų | 43 | 41 Ų | 41 | 26% | 0.264 | 21% | 0.213 | S | C | . | . | trans | -131.6 | 135.2 | 178.8 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | R231 H278 | R231-T262 PolarHBondContact NH2-OG1 3.48Å; R231-T262 VanDerWaalsContact NH2-OG1 3.11Å; T262-H278 PolarHBondContact O-NE2 3.19Å | ||
| 263 | G | 86 | Confident | 91.6 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 32% | 0.32 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 164.2 | -159 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H228 F265 | H228-G263 PolarHBondContact CE1-O 3.13Å; G263-F265 WeakPolarHBondContact O-CD2 3.44Å; G263-F265 WeakPolarHBondContact O-CE2 3.5Å |
| 264 | K | 88.3 | Confident | 91.7 | Very high | 150 Ų | 150 | 30.2 Ų | 30.2 | 65% | 0.652 | 17% | 0.166 | S | C | * | . | trans | -84.5 | 126.5 | 171.9 | -68 | 179.8 | 178.1 | -179.8 | 0 | 108.8 | Q279 | K264-Q279 HydrophobicContact CB-CB 4.15Å; K264-Q279 VanDerWaalsContact CD-OE1 3.24Å; K264-Q279 PolarHBondContact O-N 3.01Å | ||
| 265 | F | 91.9 | Very high | 92 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 152.4 | 178.4 | -55.9 | -84.7 | 0 | 0 | 0 | 110.8 | L226 H228 A238 L259 G263 V276 H277 H278 | L226-F265 HydrophobicContact CD1-CB 4.07Å; L226-F265 HydrophobicContact CD1-CD2 3.91Å; L226-F265 HydrophobicContact CD1-CG 4.17Å; L226-F265 HydrophobicContact CD2-CB 3.8Å; L226-F265 HydrophobicContact CD2-CD2 4.09Å; L226-F265 HydrophobicContact CD2-CG 4.41Å; L226-F265 HydrophobicContact CG-CD2 4.46Å; H228-F265 AromaticContact CE1-CD2 3.97Å; A238-F265 HydrophobicContact CB-CD2 4.35Å; A238-F265 HydrophobicContact CB-CE2 3.49Å; A238-F265 VanDerWaalsContact CB-CE2 3.49Å; A238-F265 HydrophobicContact CB-CZ 3.92Å; L259-F265 HydrophobicContact CB-CE1 4.45Å; L259-F265 HydrophobicContact CD1-CD1 3.85Å; L259-F265 HydrophobicContact CD1-CD2 4.21Å; L259-F265 HydrophobicContact CD1-CE1 3.7Å; L259-F265 HydrophobicContact CD1-CE2 4.09Å; L259-F265 HydrophobicContact CD1-CG 4.09Å; L259-F265 HydrophobicContact CD1-CZ 3.83Å; G263-F265 WeakPolarHBondContact O-CD2 3.44Å; G263-F265 WeakPolarHBondContact O-CE2 3.5Å; F265-V276 HydrophobicContact CB-CG1 4.18Å; F265-V276 HydrophobicContact CD1-CG1 3.84Å; F265-V276 HydrophobicContact CG-CG1 4.32Å; F265-H277 CarbonylContact C-O 3.55Å; F265-H277 WeakPolarHBondContact CA-O 3.44Å; F265-H278 HydrophobicContact CD1-CB 3.95Å; F265-H278 AromaticContact CD1-CD2 3.64Å; F265-H278 HydrophobicContact CE1-CB 3.85Å; F265-H278 AromaticContact CE1-CD2 3.16Å; F265-H278 WeakPolarHBondContact CE1-CD2 3.46Å; F265-H278 AromaticContact CE1-CG 3.66Å; F265-H278 AromaticContact CZ-CD2 3.59Å |
| 266 | A | 92.6 | Very high | 92 | Very high | 31 Ų | 31 | 28.3 Ų | 28.3 | 26% | 0.256 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | H277 V340 | A266-H277 HydrophobicContact CB-CB 4.28Å; A266-H277 PolarHBondContact N-O 2.77Å; A266-H277 PolarHBondContact O-N 3.24Å; A266-V340 HydrophobicContact CB-CB 3.98Å; A266-V340 HydrophobicContact CB-CG1 4.28Å; A266-V340 HydrophobicContact CB-CG2 3.65Å |
| 267 | L | 94.7 | Very high | 92.1 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.9 | -175 | -62.2 | 175.3 | 0 | 0 | 0 | 109.7 | A213 M224 V240 V275 V276 V340 Q342 | A213-L267 HydrophobicContact CB-CD1 4.11Å; M224-L267 HydrophobicContact CB-CD1 4.17Å; M224-L267 HydrophobicContact CE-CD1 4.46Å; V240-L267 HydrophobicContact CG1-CD1 4.33Å; V240-L267 HydrophobicContact CG2-CD2 4.06Å; L267-V275 WeakPolarHBondContact CA-O 3.37Å; L267-V276 HydrophobicContact CD2-CB 4.11Å; L267-V276 HydrophobicContact CD2-CG1 3.9Å; L267-V276 HydrophobicContact CD2-CG2 3.61Å; L267-V340 WeakPolarHBondContact O-CG1 3.45Å; L267-Q342 PolarHBondContact O-NE2 3.45Å |
| 268 | N | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 155.3 | 165.8 | -78.9 | 91 | 0 | 0 | 0 | 109.2 | V275 H277 V340 P343 D344 I345 L357 | N268-V275 HydrophobicContact CB-CB 4.24Å; N268-V275 PolarHBondContact N-O 2.77Å; N268-V275 PolarHBondContact O-N 2.74Å; N268-H277 PolarHBondContact OD1-CD2 3.34Å; N268-H277 VanDerWaalsContact OD1-CD2 3.3Å; N268-H277 PolarHBondContact OD1-NE2 3.21Å; N268-V340 WeakPolarHBondContact OD1-CG1 3.28Å; N268-P343 CarbonylContact C-O 3.59Å; N268-P343 VanDerWaalsContact CA-O 3.29Å; N268-P343 WeakPolarHBondContact CA-O 3.38Å; N268-P343 WeakPolarHBondContact CB-O 3.48Å; N268-P343 PolarHBondContact ND2-O 3.09Å; N268-P343 VanDerWaalsContact ND2-O 3.12Å; N268-D344 WeakPolarHBondContact ND2-CA 3.37Å; N268-I345 PolarHBondContact ND2-N 3.16Å; N268-I345 PolarHBondContact ND2-O 3.05Å; N268-L357 HydrophobicContact CB-CD2 3.81Å |
| 269 | I | 95.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.7 | 169.4 | -72 | 157 | 0 | 0 | 0 | 108.6 | A215 I217 M224 L273 I274 P343 | A215-I269 HydrophobicContact CB-CD1 2.99Å; A215-I269 HydrophobicContact CB-CG1 4.36Å; I217-I269 HydrophobicContact CD1-CD1 3.9Å; I217-I269 HydrophobicContact CD1-CG1 4.43Å; I217-I269 HydrophobicContact CG1-CD1 3.86Å; I217-I269 HydrophobicContact CG1-CG1 4.46Å; I217-I269 HydrophobicContact CG1-CG2 4.5Å; M224-I269 HydrophobicContact CE-CD1 3.44Å; M224-I269 VanDerWaalsContact CE-CD1 3.44Å; M224-I269 HydrophobicContact CE-CG1 4.31Å; M224-I269 HydrophobicContact SD-CD1 3.97Å; I269-L273 VanDerWaalsContact CA-O 3.24Å; I269-L273 WeakPolarHBondContact CA-O 3.12Å; I269-I274 HydrophobicContact CG1-CG1 4.45Å; I269-P343 HydrophobicContact CB-CB 4.19Å; I269-P343 PolarHBondContact N-O 3.18Å; I269-P343 CarbonylContact O-C 3.59Å; I269-P343 VanDerWaalsContact O-C 3.22Å; I269-P343 WeakPolarHBondContact O-CB 3.44Å |
| 270 | V | 93.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 32.8 Ų | 32.8 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 118.2 | 179.2 | -172.3 | 0 | 0 | 0 | 0 | 106.8 | N272 L273 V275 D344 L357 V359 | V270-N272 VanDerWaalsContact C-N 3.35Å; V270-N272 PolarHBondContact O-N 3.33Å; V270-L273 PolarHBondContact N-O 3.45Å; V270-L273 WeakPolarHBondContact O-CA 3.33Å; V270-L273 WeakPolarHBondContact O-CB 3.49Å; V270-L273 PolarHBondContact O-N 2.72Å; V270-V275 HydrophobicContact CB-CG2 4.44Å; V270-V275 HydrophobicContact CG2-CG2 4.13Å; V270-D344 HydrophobicContact CG2-CB 3.93Å; V270-L357 WeakPolarHBondContact CG1-O 3.4Å; V270-L357 HydrophobicContact CG2-CB 3.94Å; V270-L357 HydrophobicContact CG2-CD2 3.69Å; V270-L357 HydrophobicContact CG2-CG 3.85Å; V270-L357 WeakPolarHBondContact CG2-O 3.46Å; V270-V359 HydrophobicContact CB-CG2 3.94Å; V270-V359 HydrophobicContact CG1-CB 4.46Å; V270-V359 HydrophobicContact CG1-CG2 3.66Å |
| 271 | D | 90 | Very high | 92.1 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 47.9 | 178.3 | -173.1 | 24.5 | 0 | 0 | 0 | 113.6 | L273 R381 R382 | D271-L273 PolarHBondContact O-N 2.74Å; D271-R381 PolarHBondContact O-NH1 3.26Å; D271-R381 IonicContact OD1-NH1 3.7Å; D271-R381 WeakPolarHBondContact OD2-CA 3.49Å; D271-R381 IonicContact OD2-NH1 3.79Å; D271-R381 PolarHBondContact OD2-NH1 3.5Å; D271-R382 HydrophobicContact CB-CG 4.47Å; D271-R382 WeakPolarHBondContact OD1-CG 3.2Å; D271-R382 IonicContact OD1-NE 2.64Å; D271-R382 PolarHBondContact OD2-N 2.84Å |
| 272 | N | 92.3 | Very high | 92.4 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 22% | 0.219 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 7.9 | -175.3 | -46.9 | -72.8 | 0 | 0 | 0 | 115.5 | I217 Y218 V270 | I217-N272 HydrophobicContact CG2-CB 4.13Å; I217-N272 VanDerWaalsContact CG2-O 3.32Å; I217-N272 WeakPolarHBondContact CG2-O 3.5Å; Y218-N272 HydrophobicContact CD1-CB 3.86Å; Y218-N272 HydrophobicContact CD2-CB 4.12Å; Y218-N272 HydrophobicContact CE1-CB 3.71Å; Y218-N272 HydrophobicContact CE2-CB 3.98Å; Y218-N272 HydrophobicContact CG-CB 4.06Å; Y218-N272 PolarHBondContact N-OD1 3.41Å; V270-N272 VanDerWaalsContact C-N 3.35Å; V270-N272 PolarHBondContact O-N 3.33Å |
| 273 | L | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 139.4 | 170.4 | -61 | 173.2 | 0 | 0 | 0 | 109.7 | I269 V270 D271 I286 D288 V359 F377 | I269-L273 VanDerWaalsContact CA-O 3.24Å; I269-L273 WeakPolarHBondContact CA-O 3.12Å; V270-L273 PolarHBondContact N-O 3.45Å; V270-L273 WeakPolarHBondContact O-CA 3.33Å; V270-L273 WeakPolarHBondContact O-CB 3.49Å; V270-L273 PolarHBondContact O-N 2.72Å; D271-L273 PolarHBondContact O-N 2.74Å; L273-I286 HydrophobicContact CB-CG2 4.09Å; L273-I286 HydrophobicContact CD1-CG2 3.95Å; L273-I286 HydrophobicContact CD2-CG2 4.07Å; L273-I286 HydrophobicContact CG-CG2 4.27Å; L273-D288 HydrophobicContact CD2-CB 3.62Å; L273-V359 HydrophobicContact CD1-CG1 4.35Å; L273-V359 HydrophobicContact CD1-CG2 4.15Å; L273-F377 HydrophobicContact CD1-CE2 3.79Å; L273-F377 HydrophobicContact CD1-CZ 3.79Å; L273-F377 HydrophobicContact CD2-CD2 4.43Å; L273-F377 HydrophobicContact CD2-CE2 3.69Å; L273-F377 HydrophobicContact CG-CE2 4.39Å |
| 274 | I | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.5 | 174.9 | -55.7 | 162.8 | 0 | 0 | 0 | 107.1 | I217 M224 L242 L257 I269 V276 F287 I289 | I217-I274 HydrophobicContact CD1-CD1 3.69Å; I217-I274 HydrophobicContact CD1-CG1 3.65Å; M224-I274 HydrophobicContact SD-CG2 4.21Å; L242-I274 HydrophobicContact CD1-CD1 4.18Å; L242-I274 HydrophobicContact CD2-CD1 3.63Å; L242-I274 HydrophobicContact CG-CD1 4.45Å; L257-I274 HydrophobicContact CD1-CB 4.08Å; L257-I274 HydrophobicContact CD1-CD1 3.73Å; L257-I274 HydrophobicContact CD1-CG2 3.76Å; I269-I274 HydrophobicContact CG1-CG1 4.45Å; I274-V276 HydrophobicContact CG2-CG2 4.23Å; I274-F287 HydrophobicContact CB-CB 4.36Å; I274-F287 PolarHBondContact N-O 3.17Å; I274-F287 PolarHBondContact O-N 2.78Å; I274-I289 HydrophobicContact CD1-CG2 3.74Å |
| 275 | V | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.1 | 177.1 | -169.8 | 0 | 0 | 0 | 0 | 108.5 | L7 L267 N268 V270 H277 L285 I286 L357 | L7-V275 HydrophobicContact CD1-CG1 3.58Å; L7-V275 HydrophobicContact CD2-CG1 4.47Å; L7-V275 HydrophobicContact CD2-CG2 4.23Å; L267-V275 WeakPolarHBondContact CA-O 3.37Å; N268-V275 HydrophobicContact CB-CB 4.24Å; N268-V275 PolarHBondContact N-O 2.77Å; N268-V275 PolarHBondContact O-N 2.74Å; V270-V275 HydrophobicContact CB-CG2 4.44Å; V270-V275 HydrophobicContact CG2-CG2 4.13Å; V275-H277 VanDerWaalsContact CG1-CE1 3.42Å; V275-H277 WeakPolarHBondContact CG1-CE1 3.37Å; V275-L285 CarbonylContact C-O 3.22Å; V275-L285 WeakPolarHBondContact CA-O 3.34Å; V275-I286 HydrophobicContact CG2-CG1 4.28Å; V275-L357 HydrophobicContact CB-CD2 4.27Å; V275-L357 HydrophobicContact CG1-CD2 4.13Å; V275-L357 HydrophobicContact CG2-CD2 4.22Å |
| 276 | V | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109.8 | 177.1 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | V240 L259 F265 L267 I274 S284 L285 F287 | V240-V276 HydrophobicContact CG2-CG2 4.38Å; L259-V276 HydrophobicContact CD1-CG1 3.93Å; L259-V276 HydrophobicContact CD2-CB 4.09Å; L259-V276 HydrophobicContact CD2-CG1 3.83Å; L259-V276 HydrophobicContact CD2-CG2 3.94Å; F265-V276 HydrophobicContact CB-CG1 4.18Å; F265-V276 HydrophobicContact CD1-CG1 3.84Å; F265-V276 HydrophobicContact CG-CG1 4.32Å; L267-V276 HydrophobicContact CD2-CB 4.11Å; L267-V276 HydrophobicContact CD2-CG1 3.9Å; L267-V276 HydrophobicContact CD2-CG2 3.61Å; I274-V276 HydrophobicContact CG2-CG2 4.23Å; V276-S284 CarbonylContact O-C 3.52Å; V276-S284 WeakPolarHBondContact O-CA 3.35Å; V276-L285 HydrophobicContact CB-CB 4.39Å; V276-L285 PolarHBondContact N-O 2.93Å; V276-L285 PolarHBondContact O-N 3.29Å; V276-F287 HydrophobicContact CB-CE2 4.42Å; V276-F287 HydrophobicContact CG2-CD2 3.96Å; V276-F287 HydrophobicContact CG2-CE2 3.79Å |
| 277 | H | 94.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127.8 | 176.8 | -56.4 | -73.2 | 0 | 0 | 0 | 109.3 | F265 A266 N268 V275 S284 Y334 | F265-H277 CarbonylContact C-O 3.55Å; F265-H277 WeakPolarHBondContact CA-O 3.44Å; A266-H277 HydrophobicContact CB-CB 4.28Å; A266-H277 PolarHBondContact N-O 2.77Å; A266-H277 PolarHBondContact O-N 3.24Å; N268-H277 PolarHBondContact OD1-CD2 3.34Å; N268-H277 VanDerWaalsContact OD1-CD2 3.3Å; N268-H277 PolarHBondContact OD1-NE2 3.21Å; V275-H277 VanDerWaalsContact CG1-CE1 3.42Å; V275-H277 WeakPolarHBondContact CG1-CE1 3.37Å; H277-S284 PolarHBondContact ND1-OG 3.33Å; H277-Y334 HydrophobicContact CB-CD1 4.3Å; H277-Y334 HydrophobicContact CB-CE1 3.98Å; H277-Y334 AromaticContact ND1-CE1 3.93Å |
| 278 | H | 93.2 | Very high | 93.7 | Very high | 12 Ų | 12 | 21.6 Ų | 21.6 | 6% | 0.056 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 113.4 | 174.2 | -176.1 | -129.9 | 0 | 0 | 0 | 109.6 | T262 F265 S280 S281 Q282 T283 | T262-H278 PolarHBondContact O-NE2 3.19Å; F265-H278 HydrophobicContact CD1-CB 3.95Å; F265-H278 AromaticContact CD1-CD2 3.64Å; F265-H278 HydrophobicContact CE1-CB 3.85Å; F265-H278 AromaticContact CE1-CD2 3.16Å; F265-H278 WeakPolarHBondContact CE1-CD2 3.46Å; F265-H278 AromaticContact CE1-CG 3.66Å; F265-H278 AromaticContact CZ-CD2 3.59Å; H278-S280 PolarHBondContact CE1-OG 3.22Å; H278-S280 PolarHBondContact NE2-OG 3.4Å; H278-S281 WeakPolarHBondContact ND1-CB 3.49Å; H278-S281 PolarHBondContact ND1-OG 2.62Å; H278-Q282 PolarHBondContact O-N 3.08Å; H278-Q282 VanDerWaalsContact O-N 3.07Å; H278-T283 PolarHBondContact N-O 2.97Å; H278-T283 PolarHBondContact O-N 3.18Å |
| 279 | Q | 89.9 | Confident | 93.6 | Very high | 56 Ų | 56 | 22 Ų | 22 | 26% | 0.262 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -42.2 | -167.6 | -169.8 | 176.1 | 21.2 | 0 | 0 | 113.2 | K264 Q282 Y334 S335 | K264-Q279 HydrophobicContact CB-CB 4.15Å; K264-Q279 VanDerWaalsContact CD-OE1 3.24Å; K264-Q279 PolarHBondContact O-N 3.01Å; Q279-Q282 PolarHBondContact O-N 2.93Å; Q279-Y334 WeakPolarHBondContact CG-O 3.28Å; Q279-Y334 PolarHBondContact NE2-O 2.68Å; Q279-S335 PolarHBondContact NE2-O 2.76Å |
| 280 | S | 89.5 | Confident | 93.3 | Very high | 92 Ų | 92 | 27.2 Ų | 27.2 | 64% | 0.643 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -30.9 | -173.4 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | H278 | H278-S280 PolarHBondContact CE1-OG 3.22Å; H278-S280 PolarHBondContact NE2-OG 3.4Å |
| 281 | S | 90.6 | Very high | 92.9 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 39% | 0.385 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -6.8 | 172.8 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | H278 T283 | H278-S281 WeakPolarHBondContact ND1-CB 3.49Å; H278-S281 PolarHBondContact ND1-OG 2.62Å; S281-T283 WeakPolarHBondContact O-CG2 3.39Å; S281-T283 PolarHBondContact O-N 3.16Å; S281-T283 PolarHBondContact OG-OG1 3.29Å |
| 282 | Q | 93.3 | Very high | 92.3 | Very high | 98 Ų | 98 | 33 Ų | 33 | 46% | 0.458 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 38 | -175.1 | -56.9 | -174.5 | -41.3 | 0 | 0 | 113.1 | H278 Q279 S309 Y334 | H278-Q282 PolarHBondContact O-N 3.08Å; H278-Q282 VanDerWaalsContact O-N 3.07Å; Q279-Q282 PolarHBondContact O-N 2.93Å; Q282-S309 VanDerWaalsContact O-CB 3.27Å; Q282-S309 WeakPolarHBondContact O-CB 3.43Å; Q282-S309 PolarHBondContact O-OG 3.04Å; Q282-Y334 HydrophobicContact CB-CD2 3.69Å; Q282-Y334 HydrophobicContact CB-CE2 4.16Å; Q282-Y334 HydrophobicContact CB-CG 4.16Å; Q282-Y334 HydrophobicContact CG-CD2 4.22Å; Q282-Y334 HydrophobicContact CG-CG 4.41Å; Q282-Y334 VanDerWaalsContact O-CE2 3.25Å; Q282-Y334 WeakPolarHBondContact O-CE2 3.36Å |
| 283 | T | 93.9 | Very high | 91.1 | Very high | 33 Ų | 33 | 38.7 Ų | 38.7 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 162.5 | 178.9 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | H278 S281 A307 | H278-T283 PolarHBondContact N-O 2.97Å; H278-T283 PolarHBondContact O-N 3.18Å; S281-T283 WeakPolarHBondContact O-CG2 3.39Å; S281-T283 PolarHBondContact O-N 3.16Å; S281-T283 PolarHBondContact OG-OG1 3.29Å; T283-A307 HydrophobicContact CG2-CB 4.47Å |
| 284 | S | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.5 | 175.4 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | Y6 V276 H277 A307 R308 Y334 | Y6-S284 PolarHBondContact OH-O 3.36Å; V276-S284 CarbonylContact O-C 3.52Å; V276-S284 WeakPolarHBondContact O-CA 3.35Å; H277-S284 PolarHBondContact ND1-OG 3.33Å; S284-A307 WeakPolarHBondContact O-CA 3.49Å; S284-R308 PolarHBondContact N-O 3.42Å; S284-R308 PolarHBondContact O-N 3.39Å; S284-Y334 WeakPolarHBondContact OG-CE1 3.24Å; S284-Y334 PolarHBondContact OG-OH 3.23Å |
| 285 | L | 94.8 | Very high | 88.3 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.4 | 178 | -64.2 | 170 | 0 | 0 | 0 | 108.4 | L259 V275 V276 F287 P303 A307 | L259-L285 HydrophobicContact CB-CD1 4.42Å; L259-L285 HydrophobicContact CD2-CD1 4.19Å; V275-L285 CarbonylContact C-O 3.22Å; V275-L285 WeakPolarHBondContact CA-O 3.34Å; V276-L285 HydrophobicContact CB-CB 4.39Å; V276-L285 PolarHBondContact N-O 2.93Å; V276-L285 PolarHBondContact O-N 3.29Å; L285-F287 HydrophobicContact CB-CD2 4.45Å; L285-F287 HydrophobicContact CB-CE2 3.68Å; L285-F287 HydrophobicContact CB-CZ 4.3Å; L285-F287 HydrophobicContact CD1-CE2 4.37Å; L285-F287 HydrophobicContact CD1-CZ 4.4Å; L285-P303 HydrophobicContact CD2-CB 4.08Å; L285-P303 HydrophobicContact CD2-CG 3.85Å; L285-A307 HydrophobicContact CD2-CB 3.53Å; L285-A307 HydrophobicContact CG-CB 4.49Å |
| 286 | I | 95.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.8 | 175.8 | -71.2 | -175 | 0 | 0 | 0 | 109.9 | Y6 L7 L273 V275 P303 V304 | Y6-I286 HydrophobicContact CD2-CD1 3.26Å; Y6-I286 HydrophobicContact CD2-CG1 4.16Å; Y6-I286 HydrophobicContact CE2-CB 4.47Å; Y6-I286 HydrophobicContact CE2-CD1 3.24Å; Y6-I286 HydrophobicContact CE2-CG1 3.6Å; Y6-I286 HydrophobicContact CG-CD1 4.44Å; L7-I286 HydrophobicContact CD1-CD1 4.41Å; L7-I286 HydrophobicContact CD2-CD1 3.98Å; L7-I286 HydrophobicContact CG-CD1 4.14Å; L273-I286 HydrophobicContact CB-CG2 4.09Å; L273-I286 HydrophobicContact CD1-CG2 3.95Å; L273-I286 HydrophobicContact CD2-CG2 4.07Å; L273-I286 HydrophobicContact CG-CG2 4.27Å; V275-I286 HydrophobicContact CG2-CG1 4.28Å; I286-P303 CarbonylContact O-C 3.59Å; I286-P303 WeakPolarHBondContact O-CA 3.25Å; I286-V304 PolarHBondContact O-N 3.33Å |
| 287 | F | 95.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.3 | 173.3 | -60.5 | -95.2 | 0 | 0 | 0 | 110.7 | L257 K258 L259 I274 V276 L285 H301 Q302 P303 | L257-F287 HydrophobicContact CB-CD1 3.88Å; L257-F287 HydrophobicContact CB-CD2 4.35Å; L257-F287 HydrophobicContact CB-CE1 3.85Å; L257-F287 HydrophobicContact CB-CE2 4.33Å; L257-F287 HydrophobicContact CB-CG 4.12Å; L257-F287 HydrophobicContact CB-CZ 4.09Å; L257-F287 HydrophobicContact CD1-CB 3.93Å; L257-F287 HydrophobicContact CD1-CD1 4.41Å; L257-F287 HydrophobicContact CD1-CD2 3.94Å; L257-F287 HydrophobicContact CD1-CG 3.85Å; L257-F287 HydrophobicContact CD2-CB 3.99Å; L257-F287 HydrophobicContact CD2-CD1 4.02Å; L257-F287 HydrophobicContact CD2-CG 4.09Å; L257-F287 HydrophobicContact CG-CB 4.48Å; L257-F287 HydrophobicContact CG-CD1 4.32Å; L257-F287 HydrophobicContact CG-CG 4.24Å; K258-F287 WeakPolarHBondContact O-CZ 3.44Å; L259-F287 HydrophobicContact CD2-CE2 3.78Å; L259-F287 HydrophobicContact CD2-CZ 3.8Å; I274-F287 HydrophobicContact CB-CB 4.36Å; I274-F287 PolarHBondContact N-O 3.17Å; I274-F287 PolarHBondContact O-N 2.78Å; V276-F287 HydrophobicContact CB-CE2 4.42Å; V276-F287 HydrophobicContact CG2-CD2 3.96Å; V276-F287 HydrophobicContact CG2-CE2 3.79Å; L285-F287 HydrophobicContact CB-CD2 4.45Å; L285-F287 HydrophobicContact CB-CE2 3.68Å; L285-F287 HydrophobicContact CB-CZ 4.3Å; L285-F287 HydrophobicContact CD1-CE2 4.37Å; L285-F287 HydrophobicContact CD1-CZ 4.4Å; F287-H301 HydrophobicContact CD1-CB 4.2Å; F287-Q302 VanDerWaalsContact CE1-C 3.49Å; F287-P303 HydrophobicContact CE1-CB 4.34Å; F287-P303 HydrophobicContact CE1-CG 3.81Å; F287-P303 VanDerWaalsContact CE1-N 3.33Å; F287-P303 HydrophobicContact CZ-CB 4.36Å; F287-P303 HydrophobicContact CZ-CG 3.7Å |
| 288 | D | 93.4 | Very high | 85.6 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | trans | -121.5 | 109.3 | 171.9 | -175.4 | -13.9 | 0 | 0 | 0 | 109.2 | Y218 L273 R290 L291 V304 R381 | Y218-D288 WeakPolarHBondContact CE2-OD1 3.24Å; Y218-D288 PolarHBondContact OH-OD1 3.22Å; Y218-D288 PolarHBondContact OH-OD2 3Å; Y218-D288 VanDerWaalsContact OH-OD2 3.13Å; L273-D288 HydrophobicContact CD2-CB 3.62Å; D288-R290 PolarHBondContact O-N 3.24Å; D288-R290 PolarHBondContact OD1-N 3.29Å; D288-L291 HydrophobicContact CB-CB 3.93Å; D288-L291 PolarHBondContact O-N 2.92Å; D288-V304 HydrophobicContact CB-CG2 3.79Å; D288-R381 IonicContact OD1-NH2 3.68Å; D288-R381 IonicContact OD2-CZ 2.98Å; D288-R381 IonicContact OD2-NH2 2.96Å; D288-R381 PolarHBondContact OD2-NH2 2.94Å | ||
| 289 | I | 92.5 | Very high | 85.5 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -13.1 | -174.4 | 61 | 169.8 | 0 | 0 | 0 | 114.1 | I217 Y218 Y222 L242 H255 L257 I274 H301 | I217-I289 HydrophobicContact CB-CD1 4.31Å; I217-I289 HydrophobicContact CG2-CD1 3.77Å; I217-I289 HydrophobicContact CG2-CG1 4.17Å; Y218-I289 HydrophobicContact CD2-CD1 4.1Å; Y218-I289 HydrophobicContact CD2-CG1 3.81Å; Y218-I289 HydrophobicContact CE2-CG1 3.8Å; Y222-I289 HydrophobicContact CE2-CD1 3.95Å; L242-I289 HydrophobicContact CD2-CG2 4.04Å; H255-I289 HydrophobicContact CB-CG2 4.47Å; L257-I289 HydrophobicContact CD2-CG2 4.32Å; I274-I289 HydrophobicContact CD1-CG2 3.74Å; I289-H301 PolarHBondContact O-CE1 3.05Å; I289-H301 VanDerWaalsContact O-CE1 3.27Å |
| 290 | R | 88.8 | Confident | 85.5 | Confident | 118 Ų | 118 | 60 Ų | 60 | 45% | 0.445 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -3.8 | 177.6 | -70.2 | -164.1 | 177.5 | -161.4 | 4.1 | 113.1 | Y218 D288 K292 R380 | Y218-R290 HydrophobicContact CD2-CB 4.45Å; Y218-R290 HydrophobicContact CD2-CG 3.68Å; Y218-R290 HydrophobicContact CE2-CB 3.94Å; Y218-R290 HydrophobicContact CE2-CG 3.67Å; Y218-R290 HydrophobicContact CG-CG 4.21Å; D288-R290 PolarHBondContact O-N 3.24Å; D288-R290 PolarHBondContact OD1-N 3.29Å; R290-K292 PolarHBondContact O-N 3.06Å; R290-R380 PolarHBondContact O-NH1 3.26Å; R290-R380 PolarHBondContact O-NH2 2.93Å |
| 291 | L | 85.1 | Confident | 85.6 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 20% | 0.204 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -67 | -28.4 | -177.2 | -172.7 | 65.6 | 0 | 0 | 0 | 112.3 | D288 V304 D376 F377 | D288-L291 HydrophobicContact CB-CB 3.93Å; D288-L291 PolarHBondContact O-N 2.92Å; L291-V304 HydrophobicContact CD2-CB 4.3Å; L291-V304 HydrophobicContact CD2-CG1 3.68Å; L291-V304 HydrophobicContact CD2-CG2 3.8Å; L291-D376 HydrophobicContact CD1-CB 3.79Å; L291-F377 HydrophobicContact CD1-CB 4.08Å |
| 292 | K | 77.5 | Confident | 85.6 | Confident | 114 Ų | 114 | 58.6 Ų | 58.6 | 50% | 0.496 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -107 | 138 | 173.5 | -163.3 | -176.6 | 175.7 | -162.6 | 0 | 110 | R290 D295 | R290-K292 PolarHBondContact O-N 3.06Å; K292-D295 WeakPolarHBondContact CE-OD2 3.45Å; K292-D295 IonicContact NZ-OD2 3.9Å; K292-D295 PolarHBondContact NZ-OD2 3.26Å |
| 293 | E | 67.1 | Low | 85.5 | Confident | 160 Ų | 160 | 55.8 Ų | 55.8 | 75% | 0.748 | 31% | 0.307 | S | S | * | . | trans | -62.3 | 146 | 170.8 | -68.9 | -173.3 | 174.4 | 0 | 0 | 111 | D295 | E293-D295 PolarHBondContact O-N 2.91Š| ||
| 294 | P | 70.1 | Confident | 85.3 | Confident | 103 Ų | 103 | 55.4 Ų | 55.4 | 67% | 0.669 | 31% | 0.305 | S | S | * | . | trans | -73.1 | 97.5 | -178.1 | 29 | -33.5 | 0 | 0 | 0 | 111.1 | N299 | P294-N299 VanDerWaalsContact CA-OD1 3.27Å; P294-N299 WeakPolarHBondContact CA-OD1 3.37Å; P294-N299 VanDerWaalsContact CB-ND2 3.28Å; P294-N299 WeakPolarHBondContact CB-ND2 3.49Å | ||
| 295 | D | 62.9 | Low | 85.1 | Confident | 105 Ų | 105 | 55.6 Ų | 55.6 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | trans | -75.4 | -25.8 | 178.3 | -64.7 | -27.5 | 0 | 0 | 0 | 112.9 | K292 E293 N299 | K292-D295 WeakPolarHBondContact CE-OD2 3.45Å; K292-D295 IonicContact NZ-OD2 3.9Å; K292-D295 PolarHBondContact NZ-OD2 3.26Å; E293-D295 PolarHBondContact O-N 2.91Å; D295-N299 PolarHBondContact N-OD1 2.91Å; D295-N299 VanDerWaalsContact N-OD1 3.14Å | ||
| 296 | C | 70.7 | Confident | 84.9 | Confident | 87 Ų | 87 | 58 Ų | 58 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -142 | 167.9 | -170.2 | -77 | 0 | 0 | 0 | 0 | 112 | V298 N299 | C296-V298 PolarHBondContact O-N 3.06Å; C296-N299 PolarHBondContact N-OD1 3.44Å; C296-N299 PolarHBondContact O-ND2 3.36Å; C296-N299 PolarHBondContact O-OD1 2.9Å |
| 297 | A | 75.2 | Confident | 84.8 | Confident | 97 Ų | 97 | 60.1 Ų | 60.1 | 80% | 0.802 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -57 | -30.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 298 | V | 84.9 | Confident | 84.7 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 30% | 0.297 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -125.4 | 117.5 | 172.5 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | K253 S254 V256 C296 | K253-V298 HydrophobicContact CB-CG2 4.45Å; K253-V298 HydrophobicContact CD-CG1 4.35Å; K253-V298 HydrophobicContact CD-CG2 4.21Å; K253-V298 HydrophobicContact CG-CG1 4.15Å; K253-V298 HydrophobicContact CG-CG2 4.07Å; S254-V298 WeakPolarHBondContact O-CA 3.4Å; V256-V298 HydrophobicContact CG2-CG1 3.68Å; C296-V298 PolarHBondContact O-N 3.06Å |
| 299 | N | 89.3 | Confident | 84.8 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.8 | -177.4 | -64.6 | -58.6 | 0 | 0 | 0 | 111.2 | S254 H255 V256 P294 D295 C296 H301 | S254-N299 PolarHBondContact O-N 3.1Å; H255-N299 CarbonylContact C-O 3.55Å; H255-N299 VanDerWaalsContact CA-O 3.24Å; H255-N299 WeakPolarHBondContact CA-O 3.43Å; V256-N299 PolarHBondContact N-O 2.76Å; P294-N299 VanDerWaalsContact CA-OD1 3.27Å; P294-N299 WeakPolarHBondContact CA-OD1 3.37Å; P294-N299 VanDerWaalsContact CB-ND2 3.28Å; P294-N299 WeakPolarHBondContact CB-ND2 3.49Å; D295-N299 PolarHBondContact N-OD1 2.91Å; D295-N299 VanDerWaalsContact N-OD1 3.14Å; C296-N299 PolarHBondContact N-OD1 3.44Å; C296-N299 PolarHBondContact O-ND2 3.36Å; C296-N299 PolarHBondContact O-OD1 2.9Å; N299-H301 PolarHBondContact O-CD2 3.19Å |
| 300 | T | 89.9 | Confident | 84.8 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.2 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 110 | V256 K258 | V256-T300 CarbonylContact O-C 3.55Å; V256-T300 WeakPolarHBondContact O-CA 3.28Å; K258-T300 HydrophobicContact CD-CG2 3.64Å; K258-T300 VanDerWaalsContact CE-CG2 3.44Å; K258-T300 HydrophobicContact CG-CG2 3.88Å |
| 301 | H | 91.7 | Very high | 85 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.7 | -177.1 | -60.5 | -79.5 | 0 | 0 | 0 | 111.7 | H255 V256 L257 K258 F287 I289 N299 | H255-H301 AromaticContact CG-NE2 3.7Å; H255-H301 AromaticContact ND1-NE2 3.21Å; H255-H301 PolarHBondContact ND1-NE2 3.18Å; V256-H301 PolarHBondContact O-N 3.33Å; L257-H301 HydrophobicContact CD2-CB 3.76Å; K258-H301 PolarHBondContact N-O 2.92Å; K258-H301 VanDerWaalsContact N-O 3.11Å; F287-H301 HydrophobicContact CD1-CB 4.2Å; I289-H301 PolarHBondContact O-CE1 3.05Å; I289-H301 VanDerWaalsContact O-CE1 3.27Å; N299-H301 PolarHBondContact O-CD2 3.19Å |
| 302 | Q | 90.4 | Very high | 85.2 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | trans | -103.7 | 159.5 | 167.1 | -66.8 | -66.2 | -18 | 0 | 0 | 109.1 | N260 F287 V304 | N260-Q302 PolarHBondContact ND2-OE1 3.47Å; F287-Q302 VanDerWaalsContact CE1-C 3.49Å; Q302-V304 PolarHBondContact O-N 3.25Å | ||
| 303 | P | 91.5 | Very high | 85.6 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 25% | 0.247 | 35% | 0.352 | C | S | . | . | trans | -55.4 | 135.7 | 174.4 | -22.7 | 32.2 | 0 | 0 | 0 | 111.2 | L285 I286 F287 L305 | L285-P303 HydrophobicContact CD2-CB 4.08Å; L285-P303 HydrophobicContact CD2-CG 3.85Å; I286-P303 CarbonylContact O-C 3.59Å; I286-P303 WeakPolarHBondContact O-CA 3.25Å; F287-P303 HydrophobicContact CE1-CB 4.34Å; F287-P303 HydrophobicContact CE1-CG 3.81Å; F287-P303 VanDerWaalsContact CE1-N 3.33Å; F287-P303 HydrophobicContact CZ-CB 4.36Å; F287-P303 HydrophobicContact CZ-CG 3.7Å; P303-L305 VanDerWaalsContact C-N 3.34Å | ||
| 304 | V | 91.1 | Very high | 86.4 | Confident | 25 Ų | 25 | 61 Ų | 61 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -69 | -37.8 | 179.2 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | I286 D288 L291 Q302 L368 F377 | I286-V304 PolarHBondContact O-N 3.33Å; D288-V304 HydrophobicContact CB-CG2 3.79Å; L291-V304 HydrophobicContact CD2-CB 4.3Å; L291-V304 HydrophobicContact CD2-CG1 3.68Å; L291-V304 HydrophobicContact CD2-CG2 3.8Å; Q302-V304 PolarHBondContact O-N 3.25Å; V304-L368 HydrophobicContact CG1-CD1 3.67Å; V304-F377 HydrophobicContact CG1-CD2 3.92Å; V304-F377 HydrophobicContact CG1-CE2 4.13Å |
| 305 | L | 90.5 | Very high | 86.9 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -123.5 | 155.7 | -178.2 | -60.6 | 173.8 | 0 | 0 | 0 | 109.8 | Y6 P303 T364 L367 L368 | Y6-L305 HydrophobicContact CD1-CB 4.29Å; Y6-L305 HydrophobicContact CD1-CD1 3.78Å; Y6-L305 HydrophobicContact CD2-CD1 4.02Å; Y6-L305 HydrophobicContact CE1-CB 3.82Å; Y6-L305 HydrophobicContact CE1-CD1 4.1Å; Y6-L305 HydrophobicContact CE2-CD1 4.42Å; Y6-L305 HydrophobicContact CG-CD1 3.7Å; P303-L305 VanDerWaalsContact C-N 3.34Å; L305-T364 HydrophobicContact CD1-CG2 3.68Å; L305-L367 HydrophobicContact CD2-CB 3.87Å; L305-L368 HydrophobicContact CD2-CB 4.13Å; L305-L368 HydrophobicContact CD2-CD1 4.03Å; L305-L368 HydrophobicContact CD2-CG 4.4Å |
| 306 | P | 90.9 | Very high | 87.3 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | trans | -54.7 | 149.3 | 170.6 | -24.3 | 34.3 | 0 | 0 | 0 | 111.9 | Y6 R308 L367 | Y6-P306 WeakPolarHBondContact CE1-O 3.19Å; Y6-P306 PolarHBondContact OH-O 3Å; P306-R308 PolarHBondContact O-N 3.39Å; P306-L367 HydrophobicContact CG-CD2 4.44Å | ||
| 307 | A | 92.1 | Very high | 87 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | trans | -61.5 | 123.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T283 S284 L285 | T283-A307 HydrophobicContact CG2-CB 4.47Å; S284-A307 WeakPolarHBondContact O-CA 3.49Å; L285-A307 HydrophobicContact CD2-CB 3.53Å; L285-A307 HydrophobicContact CG-CB 4.49Å | ||
| 308 | R | 93.9 | Very high | 86.1 | Confident | 75 Ų | 75 | 53 Ų | 53 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -134.6 | 150.8 | 177.4 | -65.6 | -65.9 | -176.2 | 162.8 | 7.6 | 110.5 | E4 Y6 S284 P306 | E4-R308 IonicContact OE2-CZ 3.53Å; E4-R308 IonicContact OE2-NH1 2.83Å; E4-R308 PolarHBondContact OE2-NH1 3.35Å; E4-R308 IonicContact OE2-NH2 3.94Å; E4-R308 PolarHBondContact OE2-NH2 3.44Å; Y6-R308 HydrophobicContact CD1-CB 4.14Å; Y6-R308 HydrophobicContact CD1-CG 4.06Å; Y6-R308 HydrophobicContact CE1-CB 3.51Å; Y6-R308 HydrophobicContact CE1-CG 3.48Å; Y6-R308 VanDerWaalsContact CE1-CG 3.48Å; Y6-R308 PolarHBondContact OH-N 3.03Å; S284-R308 PolarHBondContact N-O 3.42Å; S284-R308 PolarHBondContact O-N 3.39Å; P306-R308 PolarHBondContact O-N 3.39Å |
| 309 | S | 93.9 | Very high | 84.6 | Confident | 35 Ų | 35 | 53 Ų | 53 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 151.7 | 172.2 | -153.2 | 0 | 0 | 0 | 0 | 110.2 | H5 Q282 Y334 | H5-S309 PolarHBondContact ND1-O 3.32Å; Q282-S309 VanDerWaalsContact O-CB 3.27Å; Q282-S309 WeakPolarHBondContact O-CB 3.43Å; Q282-S309 PolarHBondContact O-OG 3.04Å; S309-Y334 VanDerWaalsContact OG-CE2 3.3Å; S309-Y334 WeakPolarHBondContact OG-CE2 3.33Å |
| 310 | I | 93.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 142.2 | 166.6 | -64.8 | 159.2 | 0 | 0 | 0 | 108.1 | L7 L9 L333 Y334 W338 I346 L357 | L7-I310 HydrophobicContact CB-CG1 4.13Å; L7-I310 HydrophobicContact CD1-CG1 4.4Å; L9-I310 HydrophobicContact CD2-CG2 4.16Å; L9-I310 HydrophobicContact CG-CG2 3.97Å; I310-L333 HydrophobicContact CB-CD1 4.2Å; I310-L333 WeakPolarHBondContact O-CD1 3.15Å; I310-Y334 HydrophobicContact CD1-CE1 4.34Å; I310-Y334 HydrophobicContact CD1-CE2 4.46Å; I310-Y334 WeakPolarHBondContact CG1-OH 3.45Å; I310-Y334 PolarHBondContact N-OH 3.32Å; I310-W338 HydrophobicContact CD1-CZ3 4.31Å; I310-I346 HydrophobicContact CD1-CD1 4.37Å; I310-L357 HydrophobicContact CD1-CD1 4.04Å; I310-L357 HydrophobicContact CG1-CD1 4.11Å; I310-L357 HydrophobicContact CG2-CD1 4.49Å |
| 311 | H | 92 | Very high | 80.9 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 129.1 | 178.3 | -175.4 | -80.8 | 0 | 0 | 0 | 110 | H5 L7 E8 Y313 | H5-H311 HydrophobicContact CB-CB 3.91Å; L7-H311 WeakPolarHBondContact O-CB 3.1Å; L7-H311 PolarHBondContact O-N 3.19Å; E8-H311 HydrophobicContact CB-CB 3.91Å; H311-Y313 PolarHBondContact O-N 3.44Å; H311-Y313 VanDerWaalsContact O-N 3.14Å |
| 312 | P | 89.4 | Confident | 78.8 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 122.9 | 179.2 | -28.3 | 35.5 | 0 | 0 | 0 | 111.3 | ||
| 313 | Y | 86.4 | Confident | 76.9 | Confident | 27 Ų | 27 | 62.8 Ų | 62.8 | 11% | 0.106 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 138.5 | -179.5 | -170.3 | -92.3 | 0 | 0 | 0 | 110 | L9 S10 E11 P13 H311 I315 C331 W355 | L9-Y313 HydrophobicContact CB-CD2 3.88Å; L9-Y313 HydrophobicContact CB-CE2 4.42Å; L9-Y313 HydrophobicContact CB-CG 4.31Å; L9-Y313 HydrophobicContact CD1-CG 4.17Å; S10-Y313 WeakPolarHBondContact O-CE2 3.46Å; E11-Y313 PolarHBondContact O-OH 3.07Å; P13-Y313 WeakPolarHBondContact CD-OH 3.45Å; P13-Y313 WeakPolarHBondContact CG-OH 3.48Å; H311-Y313 PolarHBondContact O-N 3.44Å; H311-Y313 VanDerWaalsContact O-N 3.14Å; Y313-I315 HydrophobicContact CD1-CG1 4.2Å; Y313-I315 HydrophobicContact CE1-CG1 4.28Å; Y313-C331 HydrophobicContact CD1-CB 4.14Å; Y313-C331 VanDerWaalsContact O-CB 3.32Å; Y313-C331 WeakPolarHBondContact O-CB 3.44Å; Y313-C331 PolarHBondContact O-N 3.36Å; Y313-W355 HydrophobicContact CD1-CZ2 4.49Å; Y313-W355 AromaticContact CD1-NE1 3.71Å; Y313-W355 AromaticContact CE1-NE1 3.35Å; Y313-W355 AromaticContact CZ-NE1 3.67Å |
| 314 | R | 84.7 | Confident | 74.9 | Confident | 178 Ų | 178 | 66.3 Ų | 66.3 | 67% | 0.672 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.1 | 174.7 | -67.4 | -172.1 | 178.9 | -179.6 | -0.8 | 109.1 | P316 P328 V329 | R314-P316 WeakPolarHBondContact O-CD 3.34Å; R314-P328 HydrophobicContact CB-CB 3.69Å; R314-V329 WeakPolarHBondContact CA-O 3.49Å |
| 315 | I | 80.1 | Confident | 73.2 | Confident | 8 Ų | 8 | 71.6 Ų | 71.6 | 4% | 0.041 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 119.7 | -177.4 | -57.6 | 178.5 | 0 | 0 | 0 | 108.4 | Y313 L317 P328 V329 C331 Y353 W355 | Y313-I315 HydrophobicContact CD1-CG1 4.2Å; Y313-I315 HydrophobicContact CE1-CG1 4.28Å; I315-L317 PolarHBondContact O-N 3.01Å; I315-P328 WeakPolarHBondContact O-CA 3.44Å; I315-V329 PolarHBondContact N-O 3.48Å; I315-V329 PolarHBondContact O-N 2.94Å; I315-C331 HydrophobicContact CD1-CB 3.97Å; I315-C331 HydrophobicContact CG1-CB 3.85Å; I315-Y353 HydrophobicContact CD1-CD2 4.22Å; I315-Y353 HydrophobicContact CD1-CE2 4.04Å; I315-Y353 HydrophobicContact CG2-CD2 4.4Å; I315-Y353 HydrophobicContact CG2-CE1 3.76Å; I315-Y353 HydrophobicContact CG2-CE2 3.56Å; I315-Y353 WeakPolarHBondContact CG2-OH 3.38Å; I315-W355 HydrophobicContact CD1-CZ2 4.43Å; I315-W355 HydrophobicContact CG1-CZ2 4.49Å |
| 316 | P | 70.3 | Confident | 71.6 | Confident | 62 Ų | 62 | 77 Ų | 77 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | trans | -69.7 | 120 | 171.7 | 27.6 | -30.5 | 0 | 0 | 0 | 109.1 | R314 S318 | R314-P316 WeakPolarHBondContact O-CD 3.34Å; P316-S318 PolarHBondContact O-N 3.46Å | ||
| 317 | L | 65 | Low | 70.4 | Confident | 62 Ų | 62 | 79 Ų | 79 | 33% | 0.325 | 49% | 0.487 | S | S | . | . | trans | -81.5 | 99.5 | 174.8 | -77.1 | 167.2 | 0 | 0 | 0 | 109.6 | I315 G319 Q326 V329 | I315-L317 PolarHBondContact O-N 3.01Å; L317-G319 PolarHBondContact O-N 3.13Å; L317-Q326 HydrophobicContact CB-CB 4.24Å; L317-Q326 HydrophobicContact CD1-CB 3.81Å; L317-V329 HydrophobicContact CD1-CG2 3.57Å; L317-V329 HydrophobicContact CG-CG2 4.28Å | ||
| 318 | S | 56.5 | Low | 69.6 | Low | 92 Ų | 92 | 80 Ų | 80 | 64% | 0.643 | 49% | 0.49 | S | S | * | . | trans | -78.3 | 91.7 | 168.7 | -59.6 | 0 | 0 | 0 | 0 | 109.6 | P316 | P316-S318 PolarHBondContact O-N 3.46Š| ||
| 319 | G | 53.4 | Low | 68.9 | Low | 50 Ų | 50 | 79.8 Ų | 79.8 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | trans | -75.6 | 163.2 | 167 | 0 | 0 | 0 | 0 | 0 | 111.9 | L317 A321 | L317-G319 PolarHBondContact O-N 3.13Å; G319-A321 PolarHBondContact O-N 2.73Å | ||
| 320 | P | 50.1 | Low | 68.4 | Low | 105 Ų | 105 | 82.9 Ų | 82.9 | 68% | 0.682 | 52% | 0.516 | S | S | * | . | trans | -55 | 142 | 167.8 | 23.3 | -31.4 | 0 | 0 | 0 | 109.6 | A322 V323 | P320-A322 PolarHBondContact O-N 3.22Å; P320-V323 HydrophobicContact CG-CG2 4.48Å; P320-V323 PolarHBondContact O-N 2.9Å; P320-V323 VanDerWaalsContact O-N 3.16Å | ||
| 321 | A | 50.5 | Low | 67.9 | Low | 120 Ų | 120 | 83.6 Ų | 83.6 | 99% | 0.992 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 0.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | G319 | G319-A321 PolarHBondContact O-N 2.73Š|
| 322 | A | 47.7 | Very low | 67.6 | Low | 99 Ų | 99 | 87.2 Ų | 87.2 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P320 | P320-A322 PolarHBondContact O-N 3.22Š|
| 323 | V | 50.4 | Low | 67.6 | Low | 82 Ų | 82 | 84.2 Ų | 84.2 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -114.8 | 135.6 | -178.8 | -168.6 | 0 | 0 | 0 | 0 | 110 | P320 T325 | P320-V323 HydrophobicContact CG-CG2 4.48Å; P320-V323 PolarHBondContact O-N 2.9Å; P320-V323 VanDerWaalsContact O-N 3.16Å; V323-T325 PolarHBondContact O-N 2.93Å |
| 324 | P | 50.8 | Low | 67.7 | Low | 113 Ų | 113 | 83.6 Ų | 83.6 | 73% | 0.734 | 52% | 0.515 | S | S | * | . | trans | -54.7 | 137 | 174.5 | 21.2 | -32.1 | 0 | 0 | 0 | 110.7 | Q326 | P324-Q326 PolarHBondContact O-N 3.12Š| ||
| 325 | T | 54.3 | Low | 67.8 | Low | 136 Ų | 136 | 76 Ų | 76 | 83% | 0.834 | 49% | 0.489 | S | S | * | . | trans | -48.1 | 109.9 | 178.9 | 41.8 | 0 | 0 | 0 | 0 | 110.3 | V323 | V323-T325 PolarHBondContact O-N 2.93Š| ||
| 326 | Q | 58.5 | Low | 67.9 | Low | 118 Ų | 118 | 80.8 Ų | 80.8 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -64 | 149.2 | 175.8 | -71.8 | -176.1 | -10.5 | 0 | 0 | 110 | L317 P324 | L317-Q326 HydrophobicContact CB-CB 4.24Å; L317-Q326 HydrophobicContact CD1-CB 3.81Å; P324-Q326 PolarHBondContact O-N 3.12Å |
| 327 | P | 65.2 | Low | 68.6 | Low | 107 Ų | 107 | 79.6 Ų | 79.6 | 70% | 0.695 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 138.5 | 178.2 | 24.8 | -33.1 | 0 | 0 | 0 | 110.1 | V329 | P327-V329 PolarHBondContact O-N 2.95Š|
| 328 | P | 74.3 | Confident | 69.7 | Low | 66 Ų | 66 | 78.4 Ų | 78.4 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 132.1 | 179.9 | -23.4 | 31.7 | 0 | 0 | 0 | 111.7 | R314 I315 | R314-P328 HydrophobicContact CB-CB 3.69Å; I315-P328 WeakPolarHBondContact O-CA 3.44Å |
| 329 | V | 80.7 | Confident | 71.3 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.8 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | R314 I315 L317 P327 C331 | R314-V329 WeakPolarHBondContact CA-O 3.49Å; I315-V329 PolarHBondContact N-O 3.48Å; I315-V329 PolarHBondContact O-N 2.94Å; L317-V329 HydrophobicContact CD1-CG2 3.57Å; L317-V329 HydrophobicContact CG-CG2 4.28Å; P327-V329 PolarHBondContact O-N 2.95Å; V329-C331 PolarHBondContact O-N 3.47Å |
| 330 | P | 82.1 | Confident | 73.1 | Confident | 99 Ų | 99 | 76 Ų | 76 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.6 | 176 | 26.3 | -34.1 | 0 | 0 | 0 | 110.9 | ||
| 331 | C | 84.1 | Confident | 75.1 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 11% | 0.108 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 129.1 | 173.3 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | Y313 I315 V329 L333 | Y313-C331 HydrophobicContact CD1-CB 4.14Å; Y313-C331 VanDerWaalsContact O-CB 3.32Å; Y313-C331 WeakPolarHBondContact O-CB 3.44Å; Y313-C331 PolarHBondContact O-N 3.36Å; I315-C331 HydrophobicContact CD1-CB 3.97Å; I315-C331 HydrophobicContact CG1-CB 3.85Å; V329-C331 PolarHBondContact O-N 3.47Å; C331-L333 PolarHBondContact O-N 3.02Å |
| 332 | Q | 85.5 | Confident | 77.1 | Confident | 140 Ų | 140 | 70 Ų | 70 | 65% | 0.654 | 42% | 0.423 | S | S | * | . | trans | -74.2 | 96.2 | 172.7 | -172.1 | 178.4 | 9.6 | 0 | 0 | 110 | ||||
| 333 | L | 88.2 | Confident | 79.1 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 145.9 | 177.1 | -55.5 | 177.6 | 0 | 0 | 0 | 111.5 | L9 I310 C331 S335 W338 | L9-L333 HydrophobicContact CD1-CD2 3.98Å; I310-L333 HydrophobicContact CB-CD1 4.2Å; I310-L333 WeakPolarHBondContact O-CD1 3.15Å; C331-L333 PolarHBondContact O-N 3.02Å; L333-S335 PolarHBondContact O-N 2.77Å; L333-W338 VanDerWaalsContact CA-CH2 3.44Å; L333-W338 VanDerWaalsContact CA-CZ2 3.43Å; L333-W338 HydrophobicContact CB-CH2 3.86Å; L333-W338 HydrophobicContact CB-CZ2 4.28Å; L333-W338 HydrophobicContact CD2-CH2 3.56Å; L333-W338 HydrophobicContact CD2-CZ2 3.89Å; L333-W338 HydrophobicContact CG-CH2 4.31Å |
| 334 | Y | 88.9 | Confident | 81.2 | Confident | 13 Ų | 13 | 65 Ų | 65 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 26.5 | 178.9 | -50 | -94.2 | 0 | 0 | 0 | 114.3 | H277 Q279 Q282 S284 S309 I310 W338 | H277-Y334 HydrophobicContact CB-CD1 4.3Å; H277-Y334 HydrophobicContact CB-CE1 3.98Å; H277-Y334 AromaticContact ND1-CE1 3.93Å; Q279-Y334 WeakPolarHBondContact CG-O 3.28Å; Q279-Y334 PolarHBondContact NE2-O 2.68Å; Q282-Y334 HydrophobicContact CB-CD2 3.69Å; Q282-Y334 HydrophobicContact CB-CE2 4.16Å; Q282-Y334 HydrophobicContact CB-CG 4.16Å; Q282-Y334 HydrophobicContact CG-CD2 4.22Å; Q282-Y334 HydrophobicContact CG-CG 4.41Å; Q282-Y334 VanDerWaalsContact O-CE2 3.25Å; Q282-Y334 WeakPolarHBondContact O-CE2 3.36Å; S284-Y334 WeakPolarHBondContact OG-CE1 3.24Å; S284-Y334 PolarHBondContact OG-OH 3.23Å; S309-Y334 VanDerWaalsContact OG-CE2 3.3Å; S309-Y334 WeakPolarHBondContact OG-CE2 3.33Å; I310-Y334 HydrophobicContact CD1-CE1 4.34Å; I310-Y334 HydrophobicContact CD1-CE2 4.46Å; I310-Y334 WeakPolarHBondContact CG1-OH 3.45Å; I310-Y334 PolarHBondContact N-OH 3.32Å; Y334-W338 VanDerWaalsContact N-CH2 3.25Å |
| 335 | S | 86.2 | Confident | 83.2 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | trans | -57.4 | 151.6 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | Q279 L333 S337 W338 | Q279-S335 PolarHBondContact NE2-O 2.76Å; L333-S335 PolarHBondContact O-N 2.77Å; S335-S337 PolarHBondContact O-N 3.4Å; S335-S337 PolarHBondContact OG-N 3.43Å; S335-S337 PolarHBondContact OG-OG 2.79Å; S335-W338 WeakPolarHBondContact O-CB 3.49Å; S335-W338 PolarHBondContact O-N 3.25Å | ||
| 336 | S | 83.9 | Confident | 85.1 | Confident | 107 Ų | 107 | 53.1 Ų | 53.1 | 75% | 0.748 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.1 | 172.9 | 53.3 | 0 | 0 | 0 | 0 | 114 | W338 | S336-W338 VanDerWaalsContact C-N 3.31Š|
| 337 | S | 83.8 | Confident | 86.7 | Confident | 38 Ų | 38 | 47.8 Ų | 47.8 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -5 | 174.2 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | S335 S350 | S335-S337 PolarHBondContact O-N 3.4Å; S335-S337 PolarHBondContact OG-N 3.43Å; S335-S337 PolarHBondContact OG-OG 2.79Å; S337-S350 WeakPolarHBondContact CB-OG 3.24Å; S337-S350 PolarHBondContact OG-OG 2.9Å |
| 338 | W | 87.9 | Confident | 87.9 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 132.4 | 179.1 | -73.8 | 10.3 | 0 | 0 | 0 | 111.7 | I310 L333 Y334 S335 S336 I346 | I310-W338 HydrophobicContact CD1-CZ3 4.31Å; L333-W338 VanDerWaalsContact CA-CH2 3.44Å; L333-W338 VanDerWaalsContact CA-CZ2 3.43Å; L333-W338 HydrophobicContact CB-CH2 3.86Å; L333-W338 HydrophobicContact CB-CZ2 4.28Å; L333-W338 HydrophobicContact CD2-CH2 3.56Å; L333-W338 HydrophobicContact CD2-CZ2 3.89Å; L333-W338 HydrophobicContact CG-CH2 4.31Å; Y334-W338 VanDerWaalsContact N-CH2 3.25Å; S335-W338 WeakPolarHBondContact O-CB 3.49Å; S335-W338 PolarHBondContact O-N 3.25Å; S336-W338 VanDerWaalsContact C-N 3.31Å; W338-I346 HydrophobicContact CD2-CG2 3.93Å; W338-I346 HydrophobicContact CE3-CG2 3.81Å; W338-I346 HydrophobicContact CG-CG2 4.31Å; W338-I346 HydrophobicContact CZ3-CD1 4.37Å; W338-I346 HydrophobicContact CZ3-CG2 4.16Å |
| 339 | S | 90.3 | Very high | 88.5 | Confident | 52 Ų | 52 | 40.9 Ų | 40.9 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.3 | 169 | -59.5 | 0 | 0 | 0 | 0 | 108.8 | I347 | S339-I347 PolarHBondContact N-O 3.33Å; S339-I347 PolarHBondContact O-N 3.47Å |
| 340 | V | 92.3 | Very high | 88.8 | Confident | 40 Ų | 40 | 40 Ų | 40 | 24% | 0.242 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.8 | -176.1 | 171.7 | 0 | 0 | 0 | 0 | 108.9 | A266 L267 N268 I346 | A266-V340 HydrophobicContact CB-CB 3.98Å; A266-V340 HydrophobicContact CB-CG1 4.28Å; A266-V340 HydrophobicContact CB-CG2 3.65Å; L267-V340 WeakPolarHBondContact O-CG1 3.45Å; N268-V340 WeakPolarHBondContact OD1-CG1 3.28Å; V340-I346 HydrophobicContact CG2-CG1 4.41Å |
| 341 | F | 92.4 | Very high | 88.9 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 24% | 0.237 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.9 | -179.7 | -65 | -86.2 | 0 | 0 | 0 | 110.7 | F27 E29 I345 I347 | F27-F341 HydrophobicContact CB-CE2 4.38Å; F27-F341 HydrophobicContact CB-CZ 4.28Å; F27-F341 HydrophobicContact CD1-CB 4.11Å; F27-F341 AromaticContact CD1-CD1 3.62Å; F27-F341 HydrophobicContact CD1-CD1 3.62Å; F27-F341 AromaticContact CD1-CD2 3.83Å; F27-F341 HydrophobicContact CD1-CD2 3.83Å; F27-F341 AromaticContact CD1-CE1 3.91Å; F27-F341 HydrophobicContact CD1-CE1 3.91Å; F27-F341 HydrophobicContact CD1-CE2 4.1Å; F27-F341 AromaticContact CD1-CG 3.57Å; F27-F341 HydrophobicContact CD1-CG 3.57Å; F27-F341 HydrophobicContact CD1-CZ 4.14Å; F27-F341 HydrophobicContact CE1-CB 3.68Å; F27-F341 AromaticContact CE1-CD1 3.99Å; F27-F341 HydrophobicContact CE1-CD1 3.99Å; F27-F341 HydrophobicContact CE1-CD2 4.18Å; F27-F341 AromaticContact CE1-CG 3.69Å; F27-F341 HydrophobicContact CE1-CG 3.69Å; F27-F341 HydrophobicContact CG-CD2 4.41Å; F27-F341 HydrophobicContact CG-CE2 4.41Å; E29-F341 HydrophobicContact CG-CD1 4.3Å; F341-I345 HydrophobicContact CB-CB 4.18Å; F341-I345 HydrophobicContact CB-CG2 4.44Å; F341-I345 PolarHBondContact N-O 3.32Å; F341-I345 PolarHBondContact O-N 3.1Å; F341-I347 HydrophobicContact CD2-CD1 3.7Å; F341-I347 HydrophobicContact CD2-CG1 4.07Å; F341-I347 HydrophobicContact CE2-CD1 3.73Å; F341-I347 HydrophobicContact CE2-CG1 4.27Å |
| 342 | Q | 91.9 | Very high | 89.1 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 147.5 | 178.6 | -60.8 | -53.4 | -51 | 0 | 0 | 111.3 | L267 | L267-Q342 PolarHBondContact O-NE2 3.45Š|
| 343 | P | 89.6 | Confident | 89.3 | Confident | 38 Ų | 38 | 33.9 Ų | 33.9 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -83 | -46 | -5.1 | 30.7 | -29 | 0 | 0 | 0 | 111.7 | N268 I269 | N268-P343 CarbonylContact C-O 3.59Å; N268-P343 VanDerWaalsContact CA-O 3.29Å; N268-P343 WeakPolarHBondContact CA-O 3.38Å; N268-P343 WeakPolarHBondContact CB-O 3.48Å; N268-P343 PolarHBondContact ND2-O 3.09Å; N268-P343 VanDerWaalsContact ND2-O 3.12Å; I269-P343 HydrophobicContact CB-CB 4.19Å; I269-P343 PolarHBondContact N-O 3.18Å; I269-P343 CarbonylContact O-C 3.59Å; I269-P343 VanDerWaalsContact O-C 3.22Å; I269-P343 WeakPolarHBondContact O-CB 3.44Å |
| 344 | D | 93.7 | Very high | 89.5 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 19% | 0.193 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 25.1 | -163.2 | 53.5 | -8.1 | 0 | 0 | 0 | 113.5 | N268 V270 Y356 L357 | N268-D344 WeakPolarHBondContact ND2-CA 3.37Å; V270-D344 HydrophobicContact CG2-CB 3.93Å; D344-Y356 CarbonylContact O-C 3.6Å; D344-Y356 WeakPolarHBondContact O-CA 2.96Å; D344-L357 PolarHBondContact O-N 2.79Å |
| 345 | I | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.2 | -168.8 | -59.6 | 174.9 | 0 | 0 | 0 | 110.9 | F27 K32 N268 F341 I347 L354 Y356 | F27-I345 HydrophobicContact CE1-CD1 4.37Å; F27-I345 HydrophobicContact CE2-CD1 4.34Å; F27-I345 HydrophobicContact CE2-CG2 4.47Å; F27-I345 HydrophobicContact CZ-CD1 3.56Å; F27-I345 HydrophobicContact CZ-CG2 4.21Å; K32-I345 HydrophobicContact CB-CD1 4.15Å; K32-I345 HydrophobicContact CD-CD1 4.05Å; K32-I345 HydrophobicContact CG-CD1 3.97Å; N268-I345 PolarHBondContact ND2-N 3.16Å; N268-I345 PolarHBondContact ND2-O 3.05Å; F341-I345 HydrophobicContact CB-CB 4.18Å; F341-I345 HydrophobicContact CB-CG2 4.44Å; F341-I345 PolarHBondContact N-O 3.32Å; F341-I345 PolarHBondContact O-N 3.1Å; I345-I347 HydrophobicContact CG2-CD1 4.17Å; I345-I347 HydrophobicContact CG2-CG1 3.82Å; I345-L354 HydrophobicContact CG2-CD1 3.88Å; I345-L354 HydrophobicContact CG2-CD2 4.2Å; I345-L354 HydrophobicContact CG2-CG 3.84Å; I345-Y356 HydrophobicContact CD1-CE1 3.99Å; I345-Y356 HydrophobicContact CG1-CD1 3.9Å; I345-Y356 HydrophobicContact CG1-CE1 3.72Å |
| 346 | I | 94.1 | Very high | 90 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124 | 173 | -58.2 | 178.7 | 0 | 0 | 0 | 108.1 | L9 I310 W338 V340 L354 W355 L357 | L9-I346 HydrophobicContact CD2-CD1 3.98Å; I310-I346 HydrophobicContact CD1-CD1 4.37Å; W338-I346 HydrophobicContact CD2-CG2 3.93Å; W338-I346 HydrophobicContact CE3-CG2 3.81Å; W338-I346 HydrophobicContact CG-CG2 4.31Å; W338-I346 HydrophobicContact CZ3-CD1 4.37Å; W338-I346 HydrophobicContact CZ3-CG2 4.16Å; V340-I346 HydrophobicContact CG2-CG1 4.41Å; I346-L354 WeakPolarHBondContact O-CA 3.37Å; I346-W355 PolarHBondContact N-O 3.36Å; I346-W355 PolarHBondContact O-N 2.86Å; I346-L357 HydrophobicContact CD1-CB 4.45Å; I346-L357 HydrophobicContact CD1-CD1 4.33Å |
| 347 | I | 92.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.4 | -179 | -52.8 | -176.6 | 0 | 0 | 0 | 109.1 | F16 F27 V34 S339 F341 I345 L354 | F16-I347 HydrophobicContact CE1-CG2 4.08Å; F16-I347 HydrophobicContact CZ-CG2 3.75Å; F27-I347 HydrophobicContact CB-CD1 3.93Å; F27-I347 HydrophobicContact CD1-CD1 4.19Å; F27-I347 HydrophobicContact CD2-CD1 3.46Å; F27-I347 VanDerWaalsContact CD2-CD1 3.46Å; F27-I347 HydrophobicContact CE2-CD1 4Å; F27-I347 HydrophobicContact CG-CD1 3.58Å; V34-I347 HydrophobicContact CG2-CD1 4.27Å; S339-I347 PolarHBondContact N-O 3.33Å; S339-I347 PolarHBondContact O-N 3.47Å; F341-I347 HydrophobicContact CD2-CD1 3.7Å; F341-I347 HydrophobicContact CD2-CG1 4.07Å; F341-I347 HydrophobicContact CE2-CD1 3.73Å; F341-I347 HydrophobicContact CE2-CG1 4.27Å; I345-I347 HydrophobicContact CG2-CD1 4.17Å; I345-I347 HydrophobicContact CG2-CG1 3.82Å; I347-L354 HydrophobicContact CD1-CD1 3.85Å; I347-L354 HydrophobicContact CD1-CG 4.44Å; I347-L354 HydrophobicContact CG1-CB 4.23Å; I347-L354 HydrophobicContact CG1-CD1 3.93Å; I347-L354 HydrophobicContact CG1-CG 3.95Å |
| 348 | S | 90.6 | Very high | 91 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 100.3 | 162.8 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | S350 E351 G352 Y353 | S348-S350 VanDerWaalsContact C-N 3.27Å; S348-S350 PolarHBondContact O-N 3.41Å; S348-S350 PolarHBondContact OG-OG 3.42Å; S348-E351 PolarHBondContact O-N 2.64Å; S348-E351 WeakPolarHBondContact OG-CG 3.32Å; S348-G352 PolarHBondContact O-N 3.35Å; S348-Y353 PolarHBondContact N-O 2.96Å; S348-Y353 PolarHBondContact O-N 2.98Å |
| 349 | A | 86.1 | Confident | 91.2 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 22% | 0.223 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -31.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | A19 | A19-A349 HydrophobicContact CB-CB 4.09Å; A19-A349 WeakPolarHBondContact CB-O 3.43Å; A19-A349 PolarHBondContact N-O 3.02Å |
| 350 | S | 86.1 | Confident | 91.3 | Very high | 52 Ų | 52 | 29.8 Ų | 29.8 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -35 | 179.4 | 61 | 0 | 0 | 0 | 0 | 113 | H18 S337 S348 | H18-S350 WeakPolarHBondContact CB-O 3.32Å; S337-S350 WeakPolarHBondContact CB-OG 3.24Å; S337-S350 PolarHBondContact OG-OG 2.9Å; S348-S350 VanDerWaalsContact C-N 3.27Å; S348-S350 PolarHBondContact O-N 3.41Å; S348-S350 PolarHBondContact OG-OG 3.42Å |
| 351 | E | 84.4 | Confident | 91.2 | Very high | 111 Ų | 111 | 28.4 Ų | 28.4 | 52% | 0.519 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -16.6 | -179.1 | -58.2 | -60.4 | 136 | 0 | 0 | 112.7 | S348 Y353 | S348-E351 PolarHBondContact O-N 2.64Å; S348-E351 WeakPolarHBondContact OG-CG 3.32Å; E351-Y353 HydrophobicContact CB-CD2 3.67Å; E351-Y353 HydrophobicContact CB-CE2 4.13Å; E351-Y353 VanDerWaalsContact O-CD2 3.22Å; E351-Y353 WeakPolarHBondContact O-CD2 3.42Å; E351-Y353 WeakPolarHBondContact O-CE2 3.29Å |
| 352 | G | 88.4 | Confident | 91 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 34.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q15 F16 S348 | Q15-G352 CarbonylContact C-O 3.6Å; Q15-G352 WeakPolarHBondContact CA-O 3.31Å; F16-G352 PolarHBondContact N-O 3.06Å; F16-G352 WeakPolarHBondContact O-CA 3.03Å; S348-G352 PolarHBondContact O-N 3.35Å |
| 353 | Y | 90.1 | Very high | 90.8 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.5 | -179 | -64.7 | -81.5 | 0 | 0 | 0 | 112.4 | P13 Q15 F16 I315 S348 E351 W355 | P13-Y353 HydrophobicContact CB-CD1 4.18Å; P13-Y353 HydrophobicContact CG-CD1 4.01Å; Q15-Y353 HydrophobicContact CB-CD1 4.25Å; Q15-Y353 HydrophobicContact CB-CE1 4.08Å; Q15-Y353 HydrophobicContact CG-CD1 4.26Å; Q15-Y353 HydrophobicContact CG-CE1 3.76Å; Q15-Y353 PolarHBondContact NE2-OH 3.39Å; F16-Y353 VanDerWaalsContact CE1-C 3.41Å; I315-Y353 HydrophobicContact CD1-CD2 4.22Å; I315-Y353 HydrophobicContact CD1-CE2 4.04Å; I315-Y353 HydrophobicContact CG2-CD2 4.4Å; I315-Y353 HydrophobicContact CG2-CE1 3.76Å; I315-Y353 HydrophobicContact CG2-CE2 3.56Å; I315-Y353 WeakPolarHBondContact CG2-OH 3.38Å; S348-Y353 PolarHBondContact N-O 2.96Å; S348-Y353 PolarHBondContact O-N 2.98Å; E351-Y353 HydrophobicContact CB-CD2 3.67Å; E351-Y353 HydrophobicContact CB-CE2 4.13Å; E351-Y353 VanDerWaalsContact O-CD2 3.22Å; E351-Y353 WeakPolarHBondContact O-CD2 3.42Å; E351-Y353 WeakPolarHBondContact O-CE2 3.29Å; Y353-W355 HydrophobicContact CD1-CZ2 4.44Å; Y353-W355 HydrophobicContact CD2-CH2 4.16Å; Y353-W355 HydrophobicContact CD2-CZ2 4.13Å; Y353-W355 AromaticContact CG-CH2 3.99Å; Y353-W355 HydrophobicContact CG-CH2 3.99Å; Y353-W355 AromaticContact CG-CZ2 3.73Å; Y353-W355 HydrophobicContact CG-CZ2 3.73Å |
| 354 | L | 91.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128 | 167.2 | 174.5 | 163.8 | 0 | 0 | 0 | 108.5 | P13 V14 F16 F27 V34 I345 I346 I347 Y356 | P13-L354 CarbonylContact C-O 3.58Å; P13-L354 WeakPolarHBondContact CA-O 3.41Å; P13-L354 WeakPolarHBondContact CB-O 3.44Å; V14-L354 HydrophobicContact CB-CB 4.2Å; V14-L354 HydrophobicContact CB-CD2 4.34Å; V14-L354 HydrophobicContact CG2-CD2 4.2Å; V14-L354 PolarHBondContact N-O 3.22Å; V14-L354 PolarHBondContact O-N 2.97Å; F16-L354 HydrophobicContact CE1-CB 4.12Å; F27-L354 HydrophobicContact CD2-CD1 4.3Å; F27-L354 HydrophobicContact CE2-CD1 3.9Å; V34-L354 HydrophobicContact CG2-CB 4.3Å; V34-L354 HydrophobicContact CG2-CD1 3.36Å; V34-L354 HydrophobicContact CG2-CG 4.48Å; I345-L354 HydrophobicContact CG2-CD1 3.88Å; I345-L354 HydrophobicContact CG2-CD2 4.2Å; I345-L354 HydrophobicContact CG2-CG 3.84Å; I346-L354 WeakPolarHBondContact O-CA 3.37Å; I347-L354 HydrophobicContact CD1-CD1 3.85Å; I347-L354 HydrophobicContact CD1-CG 4.44Å; I347-L354 HydrophobicContact CG1-CB 4.23Å; I347-L354 HydrophobicContact CG1-CD1 3.93Å; I347-L354 HydrophobicContact CG1-CG 3.95Å; L354-Y356 HydrophobicContact CD2-CD2 4.26Å; L354-Y356 HydrophobicContact CD2-CE1 4.32Å; L354-Y356 HydrophobicContact CD2-CE2 3.71Å |
| 355 | W | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 152 | 176.6 | -60.9 | -89.2 | 0 | 0 | 0 | 111 | L9 P13 Y313 I315 I346 Y353 | L9-W355 HydrophobicContact CB-CB 4.06Å; L9-W355 HydrophobicContact CB-CG 4.01Å; L9-W355 HydrophobicContact CD1-CB 4.33Å; L9-W355 HydrophobicContact CD1-CD2 3.97Å; L9-W355 HydrophobicContact CD1-CG 3.87Å; L9-W355 HydrophobicContact CD2-CB 4.03Å; L9-W355 HydrophobicContact CD2-CG 4.45Å; L9-W355 HydrophobicContact CG-CB 4.36Å; L9-W355 HydrophobicContact CG-CG 4.32Å; P13-W355 HydrophobicContact CB-CG 4.23Å; Y313-W355 HydrophobicContact CD1-CZ2 4.49Å; Y313-W355 AromaticContact CD1-NE1 3.71Å; Y313-W355 AromaticContact CE1-NE1 3.35Å; Y313-W355 AromaticContact CZ-NE1 3.67Å; I315-W355 HydrophobicContact CD1-CZ2 4.43Å; I315-W355 HydrophobicContact CG1-CZ2 4.49Å; I346-W355 PolarHBondContact N-O 3.36Å; I346-W355 PolarHBondContact O-N 2.86Å; Y353-W355 HydrophobicContact CD1-CZ2 4.44Å; Y353-W355 HydrophobicContact CD2-CH2 4.16Å; Y353-W355 HydrophobicContact CD2-CZ2 4.13Å; Y353-W355 AromaticContact CG-CH2 3.99Å; Y353-W355 HydrophobicContact CG-CH2 3.99Å; Y353-W355 AromaticContact CG-CZ2 3.73Å; Y353-W355 HydrophobicContact CG-CZ2 3.73Å |
| 356 | Y | 93.8 | Very high | 90 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 14% | 0.141 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.3 | 163.9 | -60.9 | -83 | 0 | 0 | 0 | 109.2 | S10 P50 D344 I345 L354 | S10-Y356 WeakPolarHBondContact CB-O 3.46Å; S10-Y356 PolarHBondContact N-O 3.48Å; S10-Y356 PolarHBondContact OG-N 3.28Å; S10-Y356 VanDerWaalsContact OG-N 3.07Å; P50-Y356 HydrophobicContact CB-CE2 4.17Å; P50-Y356 WeakPolarHBondContact CB-OH 3.35Å; D344-Y356 CarbonylContact O-C 3.6Å; D344-Y356 WeakPolarHBondContact O-CA 2.96Å; I345-Y356 HydrophobicContact CD1-CE1 3.99Å; I345-Y356 HydrophobicContact CG1-CD1 3.9Å; I345-Y356 HydrophobicContact CG1-CE1 3.72Å; L354-Y356 HydrophobicContact CD2-CD2 4.26Å; L354-Y356 HydrophobicContact CD2-CE1 4.32Å; L354-Y356 HydrophobicContact CD2-CE2 3.71Å |
| 357 | L | 94.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.1 | 176.3 | -174.1 | 69.4 | 0 | 0 | 0 | 109.7 | L7 L9 N268 V270 V275 I310 D344 I346 | L7-L357 HydrophobicContact CB-CD1 4.33Å; L7-L357 HydrophobicContact CD2-CD1 4.36Å; L7-L357 HydrophobicContact CD2-CD2 4.32Å; L7-L357 HydrophobicContact CD2-CG 4.26Å; L9-L357 HydrophobicContact CD2-CD1 4.14Å; N268-L357 HydrophobicContact CB-CD2 3.81Å; V270-L357 WeakPolarHBondContact CG1-O 3.4Å; V270-L357 HydrophobicContact CG2-CB 3.94Å; V270-L357 HydrophobicContact CG2-CD2 3.69Å; V270-L357 HydrophobicContact CG2-CG 3.85Å; V270-L357 WeakPolarHBondContact CG2-O 3.46Å; V275-L357 HydrophobicContact CB-CD2 4.27Å; V275-L357 HydrophobicContact CG1-CD2 4.13Å; V275-L357 HydrophobicContact CG2-CD2 4.22Å; I310-L357 HydrophobicContact CD1-CD1 4.04Å; I310-L357 HydrophobicContact CG1-CD1 4.11Å; I310-L357 HydrophobicContact CG2-CD1 4.49Å; D344-L357 PolarHBondContact O-N 2.79Å; I346-L357 HydrophobicContact CD1-CB 4.45Å; I346-L357 HydrophobicContact CD1-CD1 4.33Å |
| 358 | Q | 93.8 | Very high | 89.4 | Confident | 85 Ų | 85 | 31.2 Ų | 31.2 | 40% | 0.397 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.8 | -177.8 | -66 | -179.4 | -30.7 | 0 | 0 | 110.9 | L7 E8 | L7-Q358 WeakPolarHBondContact CA-O 3.44Å; E8-Q358 HydrophobicContact CG-CB 4.1Å; E8-Q358 PolarHBondContact N-O 3.48Å; E8-Q358 PolarHBondContact O-N 2.97Å |
| 359 | V | 92.1 | Very high | 89.1 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.4 | 177.5 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | Y6 L7 V270 L273 L361 | Y6-V359 WeakPolarHBondContact O-CA 3.39Å; L7-V359 HydrophobicContact CD2-CG2 3.83Å; V270-V359 HydrophobicContact CB-CG2 3.94Å; V270-V359 HydrophobicContact CG1-CB 4.46Å; V270-V359 HydrophobicContact CG1-CG2 3.66Å; L273-V359 HydrophobicContact CD1-CG1 4.35Å; L273-V359 HydrophobicContact CD1-CG2 4.15Å; V359-L361 HydrophobicContact CG1-CD2 3.98Å |
| 360 | R | 91.4 | Very high | 89.2 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | trans | -95 | 118.8 | 172.1 | -63.7 | 179.9 | 77.6 | 141.1 | -11.3 | 109.9 | E3 Y6 E8 P363 | E3-R360 IonicContact OE1-CZ 3.81Å; E3-R360 IonicContact OE1-NH2 2.69Å; E3-R360 PolarHBondContact OE1-NH2 2.97Å; E3-R360 IonicContact OE2-CZ 3.32Å; E3-R360 IonicContact OE2-NE 2.67Å; E3-R360 IonicContact OE2-NH2 3.62Å; E3-R360 PolarHBondContact OE2-NH2 3.34Å; Y6-R360 PolarHBondContact O-N 3.41Å; E8-R360 HydrophobicContact CB-CG 4.39Å; E8-R360 VanDerWaalsContact CD-CD 3.42Å; E8-R360 HydrophobicContact CG-CG 3.89Å; E8-R360 VanDerWaalsContact OE1-CG 3.22Å; E8-R360 WeakPolarHBondContact OE1-CG 3.46Å; E8-R360 WeakPolarHBondContact OE2-CD 3.24Å; E8-R360 IonicContact OE2-CZ 2.68Å; E8-R360 IonicContact OE2-NE 3.79Å; E8-R360 IonicContact OE2-NH1 3.89Å; E8-R360 PolarHBondContact OE2-NH1 2.92Å; R360-P363 HydrophobicContact CB-CG 4.36Å | ||
| 361 | L | 90.1 | Very high | 89.2 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -80.1 | -33.4 | 179.9 | -58.8 | -177.9 | 0 | 0 | 0 | 115.4 | V359 T364 F377 L378 R381 R382 C384 V387 | V359-L361 HydrophobicContact CG1-CD2 3.98Å; L361-T364 WeakPolarHBondContact O-CB 3.25Å; L361-T364 PolarHBondContact O-N 2.92Å; L361-T364 PolarHBondContact O-OG1 3.07Å; L361-F377 HydrophobicContact CD2-CE1 4.13Å; L361-L378 HydrophobicContact CB-CD2 4.15Å; L361-L378 HydrophobicContact CD1-CD2 4.21Å; L361-L378 HydrophobicContact CD2-CD2 4.08Å; L361-L378 HydrophobicContact CG-CD2 4.39Å; L361-R381 HydrophobicContact CD1-CB 3.73Å; L361-R381 HydrophobicContact CD1-CG 4.32Å; L361-R381 HydrophobicContact CD2-CB 3.88Å; L361-R381 HydrophobicContact CD2-CG 3.66Å; L361-R381 HydrophobicContact CG-CB 4.44Å; L361-R382 VanDerWaalsContact CD1-O 3.3Å; L361-R382 WeakPolarHBondContact CD1-O 3.47Å; L361-C384 HydrophobicContact CD1-CB 3.5Å; L361-V387 HydrophobicContact CB-CB 4.36Å; L361-V387 HydrophobicContact CB-CG1 4.15Å; L361-V387 HydrophobicContact CB-CG2 3.98Å |
| 362 | P | 89.4 | Confident | 89.3 | Confident | 69 Ų | 69 | 33.5 Ų | 33.5 | 45% | 0.448 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -43 | -177.3 | -23.5 | 31.7 | 0 | 0 | 0 | 114.7 | T364 V365 V387 | P362-T364 PolarHBondContact O-N 3.14Å; P362-V365 WeakPolarHBondContact O-CB 3.14Å; P362-V365 WeakPolarHBondContact O-CG2 3.46Å; P362-V365 PolarHBondContact O-N 2.93Å; P362-V387 HydrophobicContact CG-CG2 4.16Å |
| 363 | P | 87.9 | Confident | 89.3 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.7 | 175.8 | -28.7 | 39.5 | 0 | 0 | 0 | 114.4 | E3 H5 R360 V365 H366 L367 | E3-P363 HydrophobicContact CB-CG 4.22Å; E3-P363 VanDerWaalsContact O-CB 3.32Å; E3-P363 WeakPolarHBondContact O-CB 3.37Å; H5-P363 WeakPolarHBondContact O-CG 3.22Å; R360-P363 HydrophobicContact CB-CG 4.36Å; P363-V365 PolarHBondContact O-N 3.03Å; P363-H366 PolarHBondContact O-N 3.27Å; P363-L367 HydrophobicContact CB-CD1 4.46Å; P363-L367 WeakPolarHBondContact O-CG 3.37Å; P363-L367 PolarHBondContact O-N 3.35Å |
| 364 | T | 87.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.8 | -22.6 | -175.6 | 72.2 | 0 | 0 | 0 | 0 | 112.2 | L305 L361 P362 H366 L367 L368 F377 | L305-T364 HydrophobicContact CD1-CG2 3.68Å; L361-T364 WeakPolarHBondContact O-CB 3.25Å; L361-T364 PolarHBondContact O-N 2.92Å; L361-T364 PolarHBondContact O-OG1 3.07Å; P362-T364 PolarHBondContact O-N 3.14Å; T364-H366 VanDerWaalsContact C-N 3.28Å; T364-H366 PolarHBondContact O-N 3.26Å; T364-L367 PolarHBondContact O-N 3.04Å; T364-L368 WeakPolarHBondContact O-CB 3.18Å; T364-L368 PolarHBondContact O-N 3.24Å; T364-F377 HydrophobicContact CG2-CE1 4.11Å |
| 365 | V | 86.9 | Confident | 89.3 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -34.3 | 179 | -179.5 | 0 | 0 | 0 | 0 | 112.5 | P362 P363 K371 L374 V387 V391 Q394 | P362-V365 WeakPolarHBondContact O-CB 3.14Å; P362-V365 WeakPolarHBondContact O-CG2 3.46Å; P362-V365 PolarHBondContact O-N 2.93Å; P363-V365 PolarHBondContact O-N 3.03Å; V365-K371 PolarHBondContact O-NZ 2.98Å; V365-L374 HydrophobicContact CG1-CD2 4.37Å; V365-V387 HydrophobicContact CG2-CG1 3.84Å; V365-V391 HydrophobicContact CB-CG2 4.24Å; V365-V391 HydrophobicContact CG1-CG2 3.77Å; V365-V391 HydrophobicContact CG2-CG2 3.46Å; V365-V391 VanDerWaalsContact CG2-CG2 3.46Å; V365-Q394 VanDerWaalsContact CG1-OE1 3.22Å |
| 366 | H | 85.6 | Confident | 89.1 | Confident | 113 Ų | 113 | 39.9 Ų | 39.9 | 52% | 0.523 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -92.2 | -29.2 | 178.5 | -60.9 | -59 | 0 | 0 | 0 | 112.8 | P363 T364 Q369 | P363-H366 PolarHBondContact O-N 3.27Å; T364-H366 VanDerWaalsContact C-N 3.28Å; T364-H366 PolarHBondContact O-N 3.26Å; H366-Q369 PolarHBondContact O-NE2 3.42Å; H366-Q369 VanDerWaalsContact O-NE2 3.08Å |
| 367 | L | 86.9 | Confident | 89 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 20% | 0.199 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78 | -28.7 | -179 | -67.3 | 171.6 | 0 | 0 | 0 | 112.7 | Y6 L305 P306 P363 T364 | Y6-L367 HydrophobicContact CD1-CD1 3.57Å; Y6-L367 HydrophobicContact CE1-CD1 4.23Å; L305-L367 HydrophobicContact CD2-CB 3.87Å; P306-L367 HydrophobicContact CG-CD2 4.44Å; P363-L367 HydrophobicContact CB-CD1 4.46Å; P363-L367 WeakPolarHBondContact O-CG 3.37Å; P363-L367 PolarHBondContact O-N 3.35Å; T364-L367 PolarHBondContact O-N 3.04Å |
| 368 | L | 86.7 | Confident | 88.8 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.073 | 19% | 0.191 | C | C | . | . | trans | -108.2 | 97.5 | -178.5 | -143.9 | 159 | 0 | 0 | 0 | 109.8 | V304 L305 T364 D370 K373 L374 | V304-L368 HydrophobicContact CG1-CD1 3.67Å; L305-L368 HydrophobicContact CD2-CB 4.13Å; L305-L368 HydrophobicContact CD2-CD1 4.03Å; L305-L368 HydrophobicContact CD2-CG 4.4Å; T364-L368 WeakPolarHBondContact O-CB 3.18Å; T364-L368 PolarHBondContact O-N 3.24Å; L368-D370 HydrophobicContact CD2-CB 4.26Å; L368-D370 VanDerWaalsContact CD2-O 3.3Å; L368-D370 WeakPolarHBondContact CD2-O 3.28Å; L368-K373 HydrophobicContact CD2-CB 3.84Å; L368-L374 HydrophobicContact CB-CD1 4.17Å; L368-L374 HydrophobicContact CD2-CB 4.1Å | ||
| 369 | Q | 84.3 | Confident | 88.6 | Confident | 125 Ų | 125 | 35.1 Ų | 35.1 | 58% | 0.584 | 18% | 0.177 | S | C | * | . | trans | -69.6 | -36.3 | -173 | -62 | -61.8 | -15.7 | 0 | 0 | 113.1 | H366 K371 | H366-Q369 PolarHBondContact O-NE2 3.42Å; H366-Q369 VanDerWaalsContact O-NE2 3.08Å; Q369-K371 PolarHBondContact O-N 2.84Å | ||
| 370 | D | 87.7 | Confident | 88.4 | Confident | 70 Ų | 70 | 38.1 Ų | 38.1 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | trans | -71.9 | 99.5 | 177.7 | -176.1 | -22.5 | 0 | 0 | 0 | 110 | L368 G372 K373 L374 | L368-D370 HydrophobicContact CD2-CB 4.26Å; L368-D370 VanDerWaalsContact CD2-O 3.3Å; L368-D370 WeakPolarHBondContact CD2-O 3.28Å; D370-G372 PolarHBondContact O-N 3.17Å; D370-G372 PolarHBondContact OD1-N 2.87Å; D370-K373 HydrophobicContact CB-CB 4.17Å; D370-K373 HydrophobicContact CB-CD 4.24Å; D370-K373 HydrophobicContact CB-CG 4.37Å; D370-K373 PolarHBondContact O-N 2.92Å; D370-K373 PolarHBondContact OD1-N 3.48Å; D370-K373 VanDerWaalsContact OD1-N 3.15Å; D370-K373 VanDerWaalsContact OD2-CD 3.26Å; D370-K373 WeakPolarHBondContact OD2-CD 3.45Å; D370-K373 VanDerWaalsContact OD2-CE 3.23Å; D370-K373 WeakPolarHBondContact OD2-CE 3.31Å; D370-K373 WeakPolarHBondContact OD2-CG 3.35Å; D370-K373 IonicContact OD2-NZ 2.87Å; D370-K373 PolarHBondContact OD2-NZ 3.23Å; D370-L374 WeakPolarHBondContact O-CB 3.48Å; D370-L374 PolarHBondContact O-N 3.32Å | ||
| 371 | K | 86.8 | Confident | 88.3 | Confident | 33 Ų | 33 | 36.2 Ų | 36.2 | 14% | 0.143 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.2 | -30.9 | -178.2 | -56.2 | -57.6 | 178.7 | -174.6 | 0 | 112.3 | V365 Q369 L374 M375 I395 V406 | V365-K371 PolarHBondContact O-NZ 2.98Å; Q369-K371 PolarHBondContact O-N 2.84Å; K371-L374 HydrophobicContact CD-CD2 4.11Å; K371-L374 PolarHBondContact O-N 3.09Å; K371-M375 VanDerWaalsContact O-CG 3.31Å; K371-M375 WeakPolarHBondContact O-CG 3.26Å; K371-M375 PolarHBondContact O-N 2.85Å; K371-I395 HydrophobicContact CB-CD1 4.24Å; K371-I395 HydrophobicContact CD-CD1 4.46Å; K371-I395 HydrophobicContact CD-CG1 4.44Å; K371-I395 HydrophobicContact CG-CD1 4.24Å; K371-I395 HydrophobicContact CG-CG1 4.38Å; K371-V406 HydrophobicContact CB-CG1 3.9Å; K371-V406 HydrophobicContact CG-CG1 4.31Å |
| 372 | G | 86.6 | Confident | 88 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -48.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D370 M375 D376 K413 | D370-G372 PolarHBondContact O-N 3.17Å; D370-G372 PolarHBondContact OD1-N 2.87Å; G372-M375 PolarHBondContact O-N 3.1Å; G372-D376 PolarHBondContact O-N 3.24Å; G372-K413 PolarHBondContact O-NZ 3.35Å |
| 373 | K | 88.6 | Confident | 87.6 | Confident | 106 Ų | 106 | 45.5 Ų | 45.5 | 46% | 0.461 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.6 | -33.6 | 175.4 | -71 | 178.5 | -170.2 | 130.2 | 0 | 112.8 | L368 D370 M375 D376 F377 | L368-K373 HydrophobicContact CD2-CB 3.84Å; D370-K373 HydrophobicContact CB-CB 4.17Å; D370-K373 HydrophobicContact CB-CD 4.24Å; D370-K373 HydrophobicContact CB-CG 4.37Å; D370-K373 PolarHBondContact O-N 2.92Å; D370-K373 PolarHBondContact OD1-N 3.48Å; D370-K373 VanDerWaalsContact OD1-N 3.15Å; D370-K373 VanDerWaalsContact OD2-CD 3.26Å; D370-K373 WeakPolarHBondContact OD2-CD 3.45Å; D370-K373 VanDerWaalsContact OD2-CE 3.23Å; D370-K373 WeakPolarHBondContact OD2-CE 3.31Å; D370-K373 WeakPolarHBondContact OD2-CG 3.35Å; D370-K373 IonicContact OD2-NZ 2.87Å; D370-K373 PolarHBondContact OD2-NZ 3.23Å; K373-M375 VanDerWaalsContact C-N 3.26Å; K373-M375 PolarHBondContact O-N 2.89Å; K373-D376 PolarHBondContact O-N 2.69Å; K373-F377 WeakPolarHBondContact O-CB 3.47Å; K373-F377 PolarHBondContact O-N 3.47Å |
| 374 | L | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 174.5 | 176.7 | 62.6 | 0 | 0 | 0 | 110 | V365 L368 D370 K371 F377 L378 V391 | V365-L374 HydrophobicContact CG1-CD2 4.37Å; L368-L374 HydrophobicContact CB-CD1 4.17Å; L368-L374 HydrophobicContact CD2-CB 4.1Å; D370-L374 WeakPolarHBondContact O-CB 3.48Å; D370-L374 PolarHBondContact O-N 3.32Å; K371-L374 HydrophobicContact CD-CD2 4.11Å; K371-L374 PolarHBondContact O-N 3.09Å; L374-F377 PolarHBondContact O-N 2.92Å; L374-L378 HydrophobicContact CD1-CD1 3.81Å; L374-L378 HydrophobicContact CD1-CD2 4.46Å; L374-L378 HydrophobicContact CD1-CG 3.88Å; L374-L378 HydrophobicContact CD2-CD1 4.46Å; L374-L378 HydrophobicContact CG-CD1 3.82Å; L374-L378 HydrophobicContact CG-CG 4.25Å; L374-L378 WeakPolarHBondContact O-CB 3.36Å; L374-L378 VanDerWaalsContact O-CG 3.26Å; L374-L378 WeakPolarHBondContact O-CG 3.36Å; L374-L378 PolarHBondContact O-N 3.01Å; L374-V391 HydrophobicContact CD2-CG1 4.05Å; L374-V391 HydrophobicContact CD2-CG2 4.11Å |
| 375 | M | 90.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 175.2 | -68.3 | -53.7 | -59.5 | 0 | 0 | 112.5 | K371 G372 K373 F377 L378 L379 I388 V391 V410 K413 L414 | K371-M375 VanDerWaalsContact O-CG 3.31Å; K371-M375 WeakPolarHBondContact O-CG 3.26Å; K371-M375 PolarHBondContact O-N 2.85Å; G372-M375 PolarHBondContact O-N 3.1Å; K373-M375 VanDerWaalsContact C-N 3.26Å; K373-M375 PolarHBondContact O-N 2.89Å; M375-F377 PolarHBondContact O-N 3.5Å; M375-L378 PolarHBondContact O-N 2.99Å; M375-L379 HydrophobicContact CB-CD1 4.48Å; M375-L379 HydrophobicContact CE-CD1 4.42Å; M375-L379 HydrophobicContact CE-CG 4.3Å; M375-L379 VanDerWaalsContact O-CB 3.22Å; M375-L379 WeakPolarHBondContact O-CB 3.49Å; M375-L379 WeakPolarHBondContact O-CD1 3.3Å; M375-L379 WeakPolarHBondContact O-CG 3.38Å; M375-L379 PolarHBondContact O-N 3.39Å; M375-I388 HydrophobicContact CE-CG2 3.53Å; M375-I388 HydrophobicContact SD-CG2 4.2Å; M375-V391 HydrophobicContact SD-CG1 4.38Å; M375-V410 HydrophobicContact CE-CG1 4.1Å; M375-V410 HydrophobicContact CG-CB 4.28Å; M375-V410 HydrophobicContact CG-CG1 3.94Å; M375-V410 HydrophobicContact CG-CG2 3.81Å; M375-V410 HydrophobicContact SD-CG1 3.96Å; M375-K413 HydrophobicContact CB-CD 4.13Å; M375-L414 HydrophobicContact CE-CD1 4.44Å; M375-L414 HydrophobicContact CE-CD2 3.39Å; M375-L414 HydrophobicContact CE-CG 3.84Å |
| 376 | D | 89.4 | Confident | 87.8 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.3 | -37.3 | 176.4 | -64.9 | -32 | 0 | 0 | 0 | 112.2 | L291 G372 K373 K413 | L291-D376 HydrophobicContact CD1-CB 3.79Å; G372-D376 PolarHBondContact O-N 3.24Å; K373-D376 PolarHBondContact O-N 2.69Å; D376-K413 WeakPolarHBondContact OD1-CD 3.4Å; D376-K413 WeakPolarHBondContact OD1-CE 3.32Å; D376-K413 IonicContact OD1-NZ 2.94Å; D376-K413 PolarHBondContact OD1-NZ 2.88Å; D376-K413 IonicContact OD2-NZ 3.32Å; D376-K413 PolarHBondContact OD2-NZ 3.45Å |
| 377 | F | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.4 | -56.9 | 175.2 | 176.5 | -99.8 | 0 | 0 | 0 | 110.8 | L273 L291 V304 L361 T364 K373 L374 M375 L379 R380 R381 | L273-F377 HydrophobicContact CD1-CE2 3.79Å; L273-F377 HydrophobicContact CD1-CZ 3.79Å; L273-F377 HydrophobicContact CD2-CD2 4.43Å; L273-F377 HydrophobicContact CD2-CE2 3.69Å; L273-F377 HydrophobicContact CG-CE2 4.39Å; L291-F377 HydrophobicContact CD1-CB 4.08Å; V304-F377 HydrophobicContact CG1-CD2 3.92Å; V304-F377 HydrophobicContact CG1-CE2 4.13Å; L361-F377 HydrophobicContact CD2-CE1 4.13Å; T364-F377 HydrophobicContact CG2-CE1 4.11Å; K373-F377 WeakPolarHBondContact O-CB 3.47Å; K373-F377 PolarHBondContact O-N 3.47Å; L374-F377 PolarHBondContact O-N 2.92Å; M375-F377 PolarHBondContact O-N 3.5Å; F377-L379 PolarHBondContact O-N 3.19Å; F377-R380 PolarHBondContact O-N 3.17Å; F377-R381 HydrophobicContact CD1-CG 4.29Å; F377-R381 HydrophobicContact CE1-CG 4.08Å; F377-R381 HydrophobicContact CZ-CG 4.41Å; F377-R381 VanDerWaalsContact O-CG 3.26Å; F377-R381 WeakPolarHBondContact O-CG 3.37Å; F377-R381 PolarHBondContact O-NE 2.99Å |
| 378 | L | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -38.5 | -174.3 | -71.4 | 178 | 0 | 0 | 0 | 113.1 | L361 L374 M375 R380 R381 C384 V387 I388 V391 | L361-L378 HydrophobicContact CB-CD2 4.15Å; L361-L378 HydrophobicContact CD1-CD2 4.21Å; L361-L378 HydrophobicContact CD2-CD2 4.08Å; L361-L378 HydrophobicContact CG-CD2 4.39Å; L374-L378 HydrophobicContact CD1-CD1 3.81Å; L374-L378 HydrophobicContact CD1-CD2 4.46Å; L374-L378 HydrophobicContact CD1-CG 3.88Å; L374-L378 HydrophobicContact CD2-CD1 4.46Å; L374-L378 HydrophobicContact CG-CD1 3.82Å; L374-L378 HydrophobicContact CG-CG 4.25Å; L374-L378 WeakPolarHBondContact O-CB 3.36Å; L374-L378 VanDerWaalsContact O-CG 3.26Å; L374-L378 WeakPolarHBondContact O-CG 3.36Å; L374-L378 PolarHBondContact O-N 3.01Å; M375-L378 PolarHBondContact O-N 2.99Å; L378-R380 PolarHBondContact O-N 2.64Å; L378-R381 WeakPolarHBondContact O-CB 3.1Å; L378-R381 PolarHBondContact O-N 3.38Å; L378-C384 WeakPolarHBondContact O-CB 3.22Å; L378-C384 PolarHBondContact O-SG 3.11Å; L378-V387 HydrophobicContact CD1-CG1 4.3Å; L378-V387 HydrophobicContact CD2-CG1 4.3Å; L378-I388 HydrophobicContact CB-CD1 4.18Å; L378-I388 HydrophobicContact CB-CG1 3.82Å; L378-I388 HydrophobicContact CD1-CG1 4.04Å; L378-V391 HydrophobicContact CD1-CG2 4.06Å |
| 379 | L | 89.5 | Confident | 88.3 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.4 | 179.9 | -77.9 | 169.4 | 0 | 0 | 0 | 113.5 | M375 F377 I388 K413 L414 V417 A451 | M375-L379 HydrophobicContact CB-CD1 4.48Å; M375-L379 HydrophobicContact CE-CD1 4.42Å; M375-L379 HydrophobicContact CE-CG 4.3Å; M375-L379 VanDerWaalsContact O-CB 3.22Å; M375-L379 WeakPolarHBondContact O-CB 3.49Å; M375-L379 WeakPolarHBondContact O-CD1 3.3Å; M375-L379 WeakPolarHBondContact O-CG 3.38Å; M375-L379 PolarHBondContact O-N 3.39Å; F377-L379 PolarHBondContact O-N 3.19Å; L379-I388 HydrophobicContact CD2-CD1 4.17Å; L379-K413 HydrophobicContact CD1-CB 3.95Å; L379-L414 HydrophobicContact CD2-CD2 3.98Å; L379-V417 HydrophobicContact CD1-CG2 4.03Å; L379-V417 HydrophobicContact CD2-CB 4.36Å; L379-V417 HydrophobicContact CD2-CG1 4.49Å; L379-V417 HydrophobicContact CD2-CG2 4.08Å; L379-V417 HydrophobicContact CG-CG2 4.46Å; L379-A451 HydrophobicContact CD2-CB 4.03Å; L379-A451 WeakPolarHBondContact O-CB 3.14Å |
| 380 | R | 87.6 | Confident | 88.6 | Confident | 93 Ų | 93 | 43.2 Ų | 43.2 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 2.9 | 178.3 | -64.1 | 176.5 | -177 | 162.6 | -0.3 | 113.4 | Y218 R290 F377 L378 | Y218-R380 HydrophobicContact CE1-CB 4.47Å; R290-R380 PolarHBondContact O-NH1 3.26Å; R290-R380 PolarHBondContact O-NH2 2.93Å; F377-R380 PolarHBondContact O-N 3.17Å; L378-R380 PolarHBondContact O-N 2.64Å |
| 381 | R | 89.4 | Confident | 88.6 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -95.6 | 156.2 | -175.3 | -52.3 | -65.7 | 121 | -130.7 | 9.4 | 112.7 | Y218 D271 D288 L361 F377 L378 C384 | Y218-R381 PolarHBondContact OH-NH2 3.42Å; D271-R381 PolarHBondContact O-NH1 3.26Å; D271-R381 IonicContact OD1-NH1 3.7Å; D271-R381 WeakPolarHBondContact OD2-CA 3.49Å; D271-R381 IonicContact OD2-NH1 3.79Å; D271-R381 PolarHBondContact OD2-NH1 3.5Å; D288-R381 IonicContact OD1-NH2 3.68Å; D288-R381 IonicContact OD2-CZ 2.98Å; D288-R381 IonicContact OD2-NH2 2.96Å; D288-R381 PolarHBondContact OD2-NH2 2.94Å; L361-R381 HydrophobicContact CD1-CB 3.73Å; L361-R381 HydrophobicContact CD1-CG 4.32Å; L361-R381 HydrophobicContact CD2-CB 3.88Å; L361-R381 HydrophobicContact CD2-CG 3.66Å; L361-R381 HydrophobicContact CG-CB 4.44Å; F377-R381 HydrophobicContact CD1-CG 4.29Å; F377-R381 HydrophobicContact CE1-CG 4.08Å; F377-R381 HydrophobicContact CZ-CG 4.41Å; F377-R381 VanDerWaalsContact O-CG 3.26Å; F377-R381 WeakPolarHBondContact O-CG 3.37Å; F377-R381 PolarHBondContact O-NE 2.99Å; L378-R381 WeakPolarHBondContact O-CB 3.1Å; L378-R381 PolarHBondContact O-N 3.38Å; R381-C384 HydrophobicContact CB-CB 4.12Å; R381-C384 PolarHBondContact O-SG 3.29Å |
| 382 | R | 83.9 | Confident | 88.8 | Confident | 149 Ų | 149 | 38.5 Ų | 38.5 | 56% | 0.562 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 147.6 | 166.5 | -63.2 | -173.9 | -169.7 | -179.4 | 0.8 | 111.2 | D271 L361 C384 Q450 | D271-R382 HydrophobicContact CB-CG 4.47Å; D271-R382 WeakPolarHBondContact OD1-CG 3.2Å; D271-R382 IonicContact OD1-NE 2.64Å; D271-R382 PolarHBondContact OD2-N 2.84Å; L361-R382 VanDerWaalsContact CD1-O 3.3Å; L361-R382 WeakPolarHBondContact CD1-O 3.47Å; R382-C384 PolarHBondContact O-N 2.82Å; R382-C384 VanDerWaalsContact O-N 3.11Å; R382-Q450 VanDerWaalsContact CA-OE1 3.22Å; R382-Q450 VanDerWaalsContact CB-NE2 3.31Å |
| 383 | D | 81.9 | Confident | 88.9 | Confident | 127 Ų | 127 | 39 Ų | 39 | 68% | 0.679 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 35 | 176 | -52.5 | -47 | 0 | 0 | 0 | 115.4 | Q450 | D383-Q450 VanDerWaalsContact N-CB 3.28Å; D383-Q450 VanDerWaalsContact N-CG 3.25Å; D383-Q450 VanDerWaalsContact N-NE2 3.16Å; D383-Q450 PolarHBondContact OD1-NE2 2.79Å; D383-Q450 PolarHBondContact OD2-NE2 3.4Å |
| 384 | C | 87.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -89.4 | -16 | -172.2 | 64.5 | 0 | 0 | 0 | 0 | 115.3 | L361 L378 R381 R382 M386 V387 I388 Q450 A451 | L361-C384 HydrophobicContact CD1-CB 3.5Å; L378-C384 WeakPolarHBondContact O-CB 3.22Å; L378-C384 PolarHBondContact O-SG 3.11Å; R381-C384 HydrophobicContact CB-CB 4.12Å; R381-C384 PolarHBondContact O-SG 3.29Å; R382-C384 PolarHBondContact O-N 2.82Å; R382-C384 VanDerWaalsContact O-N 3.11Å; C384-M386 PolarHBondContact O-N 3.31Å; C384-V387 PolarHBondContact O-N 3.06Å; C384-I388 HydrophobicContact CB-CD1 3.97Å; C384-I388 HydrophobicContact CB-CG1 4.3Å; C384-I388 WeakPolarHBondContact O-CG1 3.31Å; C384-I388 PolarHBondContact O-N 3.01Å; C384-I388 VanDerWaalsContact SG-CD1 3.51Å; C384-Q450 VanDerWaalsContact SG-C 3.58Å; C384-Q450 PolarHBondContact SG-O 2.57Å; C384-A451 VanDerWaalsContact SG-CA 3.53Å; C384-A451 VanDerWaalsContact SG-CB 3.59Å | ||
| 385 | K | 88.5 | Confident | 88.5 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 27% | 0.265 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -46.2 | -55.4 | -174.9 | -178.9 | 173.7 | 172.9 | 173 | 0 | 114.1 | V387 I388 L389 Q450 I453 D457 | K385-V387 VanDerWaalsContact C-N 3.33Å; K385-V387 PolarHBondContact O-N 2.97Å; K385-I388 PolarHBondContact O-N 3.13Å; K385-L389 HydrophobicContact CG-CD1 4.18Å; K385-L389 WeakPolarHBondContact O-CG 3.45Å; K385-L389 PolarHBondContact O-N 2.92Å; K385-Q450 PolarHBondContact N-O 3.34Å; K385-I453 HydrophobicContact CG-CG1 4.44Å; K385-D457 WeakPolarHBondContact CE-OD1 3.45Å; K385-D457 WeakPolarHBondContact CE-OD2 3.41Å; K385-D457 IonicContact NZ-OD1 3.96Å; K385-D457 PolarHBondContact NZ-OD1 3.13Å; K385-D457 IonicContact NZ-OD2 3.23Å; K385-D457 PolarHBondContact NZ-OD2 2.84Å |
| 386 | M | 88.6 | Confident | 88.2 | Confident | 117 Ų | 117 | 38.6 Ų | 38.6 | 58% | 0.576 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -67.6 | -34.2 | -178.4 | -68.7 | -55.3 | -64.2 | 0 | 0 | 112.5 | C384 L389 S390 | C384-M386 PolarHBondContact O-N 3.31Å; M386-L389 PolarHBondContact O-N 3.44Å; M386-L389 HydrophobicContact SD-CD1 4.13Å; M386-S390 WeakPolarHBondContact O-CB 3.38Å; M386-S390 PolarHBondContact O-N 3.38Å |
| 387 | V | 89.5 | Confident | 87.5 | Confident | 16 Ų | 16 | 38.8 Ų | 38.8 | 10% | 0.097 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.5 | -44.3 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 110 | L361 P362 V365 L378 C384 K385 L389 S390 V391 | L361-V387 HydrophobicContact CB-CB 4.36Å; L361-V387 HydrophobicContact CB-CG1 4.15Å; L361-V387 HydrophobicContact CB-CG2 3.98Å; P362-V387 HydrophobicContact CG-CG2 4.16Å; V365-V387 HydrophobicContact CG2-CG1 3.84Å; L378-V387 HydrophobicContact CD1-CG1 4.3Å; L378-V387 HydrophobicContact CD2-CG1 4.3Å; C384-V387 PolarHBondContact O-N 3.06Å; K385-V387 VanDerWaalsContact C-N 3.33Å; K385-V387 PolarHBondContact O-N 2.97Å; V387-L389 PolarHBondContact O-N 2.88Å; V387-S390 WeakPolarHBondContact O-CB 3.14Å; V387-S390 PolarHBondContact O-N 3.14Å; V387-S390 PolarHBondContact O-OG 2.95Å; V387-V391 VanDerWaalsContact O-CG2 3.32Å; V387-V391 WeakPolarHBondContact O-CG2 3.3Å; V387-V391 PolarHBondContact O-N 3.31Å |
| 388 | I | 91.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 176.5 | -65.7 | 167.4 | 0 | 0 | 0 | 111.1 | M375 L378 L379 C384 K385 S390 V391 C392 L414 I453 | M375-I388 HydrophobicContact CE-CG2 3.53Å; M375-I388 HydrophobicContact SD-CG2 4.2Å; L378-I388 HydrophobicContact CB-CD1 4.18Å; L378-I388 HydrophobicContact CB-CG1 3.82Å; L378-I388 HydrophobicContact CD1-CG1 4.04Å; L379-I388 HydrophobicContact CD2-CD1 4.17Å; C384-I388 HydrophobicContact CB-CD1 3.97Å; C384-I388 HydrophobicContact CB-CG1 4.3Å; C384-I388 WeakPolarHBondContact O-CG1 3.31Å; C384-I388 PolarHBondContact O-N 3.01Å; C384-I388 VanDerWaalsContact SG-CD1 3.51Å; K385-I388 PolarHBondContact O-N 3.13Å; I388-S390 VanDerWaalsContact C-N 3.28Å; I388-S390 PolarHBondContact O-N 3.42Å; I388-V391 WeakPolarHBondContact O-CB 3.4Å; I388-V391 PolarHBondContact O-N 2.95Å; I388-V391 VanDerWaalsContact O-N 3.1Å; I388-C392 PolarHBondContact O-N 3.26Å; I388-C392 PolarHBondContact O-SG 3.44Å; I388-C392 VanDerWaalsContact O-SG 3.37Å; I388-L414 HydrophobicContact CG2-CD2 3.76Å; I388-I453 HydrophobicContact CB-CD1 3.74Å; I388-I453 HydrophobicContact CG2-CD1 3.24Å |
| 389 | L | 90.4 | Very high | 84.2 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 175.6 | -68.5 | 168.9 | 0 | 0 | 0 | 111.5 | K385 M386 V387 C392 S393 I453 D457 H461 V462 | K385-L389 HydrophobicContact CG-CD1 4.18Å; K385-L389 WeakPolarHBondContact O-CG 3.45Å; K385-L389 PolarHBondContact O-N 2.92Å; M386-L389 PolarHBondContact O-N 3.44Å; M386-L389 HydrophobicContact SD-CD1 4.13Å; V387-L389 PolarHBondContact O-N 2.88Å; L389-C392 PolarHBondContact O-N 3.02Å; L389-S393 PolarHBondContact O-N 3.46Å; L389-I453 HydrophobicContact CD2-CD1 4.01Å; L389-I453 HydrophobicContact CD2-CG2 4.01Å; L389-I453 HydrophobicContact CG-CD1 4.12Å; L389-D457 HydrophobicContact CD2-CB 4.45Å; L389-H461 HydrophobicContact CB-CB 4.35Å; L389-H461 HydrophobicContact CD1-CB 4.02Å; L389-H461 HydrophobicContact CD2-CB 4.29Å; L389-H461 HydrophobicContact CG-CB 4.45Å; L389-V462 HydrophobicContact CB-CG2 4.36Å; L389-V462 HydrophobicContact CD2-CG2 3.98Å; L389-V462 WeakPolarHBondContact O-CG2 3.21Å |
| 390 | S | 89.2 | Confident | 82.5 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 33% | 0.329 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 174.4 | 80.5 | 0 | 0 | 0 | 0 | 112.4 | M386 V387 I388 S393 Q394 | M386-S390 WeakPolarHBondContact O-CB 3.38Å; M386-S390 PolarHBondContact O-N 3.38Å; V387-S390 WeakPolarHBondContact O-CB 3.14Å; V387-S390 PolarHBondContact O-N 3.14Å; V387-S390 PolarHBondContact O-OG 2.95Å; I388-S390 VanDerWaalsContact C-N 3.28Å; I388-S390 PolarHBondContact O-N 3.42Å; S390-S393 PolarHBondContact O-N 2.95Å; S390-Q394 WeakPolarHBondContact O-CB 3.48Å; S390-Q394 VanDerWaalsContact O-CG 3.28Å; S390-Q394 WeakPolarHBondContact O-CG 3.5Å; S390-Q394 PolarHBondContact O-N 3.45Å |
| 391 | V | 89 | Confident | 81.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | V365 L374 M375 L378 V387 I388 S393 Q394 I395 | V365-V391 HydrophobicContact CB-CG2 4.24Å; V365-V391 HydrophobicContact CG1-CG2 3.77Å; V365-V391 HydrophobicContact CG2-CG2 3.46Å; V365-V391 VanDerWaalsContact CG2-CG2 3.46Å; L374-V391 HydrophobicContact CD2-CG1 4.05Å; L374-V391 HydrophobicContact CD2-CG2 4.11Å; M375-V391 HydrophobicContact SD-CG1 4.38Å; L378-V391 HydrophobicContact CD1-CG2 4.06Å; V387-V391 VanDerWaalsContact O-CG2 3.32Å; V387-V391 WeakPolarHBondContact O-CG2 3.3Å; V387-V391 PolarHBondContact O-N 3.31Å; I388-V391 WeakPolarHBondContact O-CB 3.4Å; I388-V391 PolarHBondContact O-N 2.95Å; I388-V391 VanDerWaalsContact O-N 3.1Å; V391-S393 VanDerWaalsContact C-N 3.32Å; V391-S393 PolarHBondContact O-N 2.92Å; V391-Q394 PolarHBondContact O-N 3.29Å; V391-I395 HydrophobicContact CG1-CD1 3.74Å; V391-I395 HydrophobicContact CG1-CG1 4.28Å; V391-I395 VanDerWaalsContact O-CG1 3.24Å; V391-I395 WeakPolarHBondContact O-CG1 3.38Å; V391-I395 PolarHBondContact O-N 3.45Å |
| 392 | C | 89.9 | Confident | 79.9 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 175.6 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | I388 L389 L396 M458 V462 | I388-C392 PolarHBondContact O-N 3.26Å; I388-C392 PolarHBondContact O-SG 3.44Å; I388-C392 VanDerWaalsContact O-SG 3.37Å; L389-C392 PolarHBondContact O-N 3.02Å; C392-L396 VanDerWaalsContact O-CG 3.29Å; C392-L396 WeakPolarHBondContact O-CG 3.42Å; C392-L396 PolarHBondContact O-N 2.86Å; C392-M458 HydrophobicContact CB-CE 4.29Å; C392-V462 HydrophobicContact CB-CG1 4.08Å; C392-V462 HydrophobicContact CB-CG2 3.94Å |
| 393 | S | 88 | Confident | 79.6 | Confident | 23 Ų | 23 | 55 Ų | 55 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 173.4 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | L389 S390 V391 I395 L396 D397 R469 | L389-S393 PolarHBondContact O-N 3.46Å; S390-S393 PolarHBondContact O-N 2.95Å; V391-S393 VanDerWaalsContact C-N 3.32Å; V391-S393 PolarHBondContact O-N 2.92Å; S393-I395 VanDerWaalsContact C-N 3.35Å; S393-I395 PolarHBondContact O-N 3.21Å; S393-L396 CarbonylContact O-C 3.56Å; S393-L396 WeakPolarHBondContact O-CB 3.32Å; S393-L396 PolarHBondContact O-N 3.36Å; S393-L396 VanDerWaalsContact O-N 3.09Å; S393-D397 WeakPolarHBondContact O-CB 3.33Å; S393-D397 PolarHBondContact O-N 3.03Å; S393-D397 PolarHBondContact OG-OD2 2.68Å; S393-R469 PolarHBondContact OG-NH2 3.1Å |
| 394 | Q | 85.9 | Confident | 79.8 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 38% | 0.379 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -35.5 | -179.2 | -75.3 | 176.6 | 14.1 | 0 | 0 | 113.5 | V365 S390 V391 L396 D397 | V365-Q394 VanDerWaalsContact CG1-OE1 3.22Å; S390-Q394 WeakPolarHBondContact O-CB 3.48Å; S390-Q394 VanDerWaalsContact O-CG 3.28Å; S390-Q394 WeakPolarHBondContact O-CG 3.5Å; S390-Q394 PolarHBondContact O-N 3.45Å; V391-Q394 PolarHBondContact O-N 3.29Å; Q394-L396 PolarHBondContact O-N 3.4Å; Q394-D397 PolarHBondContact O-N 2.76Å |
| 395 | I | 86 | Confident | 79.9 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -29.9 | 176.1 | -69.8 | 169.3 | 0 | 0 | 0 | 111 | K371 V391 S393 G402 V407 V410 | K371-I395 HydrophobicContact CB-CD1 4.24Å; K371-I395 HydrophobicContact CD-CD1 4.46Å; K371-I395 HydrophobicContact CD-CG1 4.44Å; K371-I395 HydrophobicContact CG-CD1 4.24Å; K371-I395 HydrophobicContact CG-CG1 4.38Å; V391-I395 HydrophobicContact CG1-CD1 3.74Å; V391-I395 HydrophobicContact CG1-CG1 4.28Å; V391-I395 VanDerWaalsContact O-CG1 3.24Å; V391-I395 WeakPolarHBondContact O-CG1 3.38Å; V391-I395 PolarHBondContact O-N 3.45Å; S393-I395 VanDerWaalsContact C-N 3.35Å; S393-I395 PolarHBondContact O-N 3.21Å; I395-G402 PolarHBondContact O-N 2.92Å; I395-V407 HydrophobicContact CG2-CG2 3.66Å; I395-V410 HydrophobicContact CD1-CG2 3.97Å |
| 396 | L | 83.9 | Confident | 79.9 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -86.2 | -22.5 | 177.6 | -60.3 | 177.4 | 0 | 0 | 0 | 112.5 | C392 S393 Q394 V407 V462 F466 V480 | C392-L396 VanDerWaalsContact O-CG 3.29Å; C392-L396 WeakPolarHBondContact O-CG 3.42Å; C392-L396 PolarHBondContact O-N 2.86Å; S393-L396 CarbonylContact O-C 3.56Å; S393-L396 WeakPolarHBondContact O-CB 3.32Å; S393-L396 PolarHBondContact O-N 3.36Å; S393-L396 VanDerWaalsContact O-N 3.09Å; Q394-L396 PolarHBondContact O-N 3.4Å; L396-V407 HydrophobicContact CD2-CG2 4.29Å; L396-V462 HydrophobicContact CD1-CG1 3.56Å; L396-F466 HydrophobicContact CB-CD2 3.73Å; L396-F466 HydrophobicContact CB-CE2 3.69Å; L396-F466 HydrophobicContact CB-CG 4.37Å; L396-F466 HydrophobicContact CB-CZ 4.28Å; L396-F466 HydrophobicContact CD1-CB 4.34Å; L396-F466 HydrophobicContact CD1-CD1 4.14Å; L396-F466 HydrophobicContact CD1-CD2 4.21Å; L396-F466 HydrophobicContact CD1-CE1 4.46Å; L396-F466 HydrophobicContact CD1-CG 3.99Å; L396-F466 HydrophobicContact CD2-CE1 4.45Å; L396-F466 HydrophobicContact CD2-CE2 4.49Å; L396-F466 HydrophobicContact CD2-CZ 4.23Å; L396-F466 HydrophobicContact CG-CD2 4.49Å; L396-F466 HydrophobicContact CG-CE2 4.45Å; L396-V480 HydrophobicContact CD1-CG1 4.34Å; L396-V480 HydrophobicContact CD2-CB 4.47Å; L396-V480 HydrophobicContact CD2-CG1 3.74Å; L396-V480 HydrophobicContact CD2-CG2 3.88Å |
| 397 | D | 75.4 | Confident | 79.9 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -91.3 | 113.3 | -174 | -67.1 | -6.5 | 0 | 0 | 0 | 112 | S393 Q394 Q399 R469 | S393-D397 WeakPolarHBondContact O-CB 3.33Å; S393-D397 PolarHBondContact O-N 3.03Å; S393-D397 PolarHBondContact OG-OD2 2.68Å; Q394-D397 PolarHBondContact O-N 2.76Å; D397-Q399 PolarHBondContact O-N 3.47Å; D397-Q399 VanDerWaalsContact O-N 3.13Å; D397-R469 VanDerWaalsContact CG-CZ 3.49Å; D397-R469 VanDerWaalsContact CG-NH2 3.31Å; D397-R469 IonicContact OD1-CZ 3.45Å; D397-R469 IonicContact OD1-NE 2.77Å; D397-R469 IonicContact OD1-NH1 3.58Å; D397-R469 PolarHBondContact OD1-NH1 3.43Å; D397-R469 IonicContact OD1-NH2 3.58Å; D397-R469 PolarHBondContact OD1-NH2 2.93Å; D397-R469 IonicContact OD2-CZ 3.5Å; D397-R469 VanDerWaalsContact OD2-CZ 3.32Å; D397-R469 IonicContact OD2-NH1 2.74Å; D397-R469 PolarHBondContact OD2-NH1 3.33Å; D397-R469 IonicContact OD2-NH2 2.72Å; D397-R469 PolarHBondContact OD2-NH2 2.71Å |
| 398 | G | 60.9 | Low | 80 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 101.6 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 399 | Q | 51.7 | Low | 80 | Confident | 198 Ų | 198 | 52.5 Ų | 52.5 | 93% | 0.925 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134 | -37.3 | 139.3 | -77 | -85.7 | -44.9 | 0 | 0 | 109.2 | D397 | D397-Q399 PolarHBondContact O-N 3.47Å; D397-Q399 VanDerWaalsContact O-N 3.13Å |
| 400 | E | 54.1 | Low | 80 | Confident | 129 Ų | 129 | 52.3 Ų | 52.3 | 60% | 0.603 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -113.9 | 81.8 | 167.9 | -68.3 | -178.6 | 165.9 | 0 | 0 | 108.8 | G402 | E400-G402 PolarHBondContact O-N 3.23Š|
| 401 | K | 59.9 | Low | 80.3 | Confident | 157 Ų | 157 | 50.2 Ų | 50.2 | 68% | 0.683 | 28% | 0.279 | S | S | * | . | trans | -57 | 107.5 | 174.1 | -72.9 | -178.5 | 179.8 | 176.3 | 0 | 108.2 | S403 | K401-S403 PolarHBondContact O-N 2.83Š| ||
| 402 | G | 61.6 | Low | 80.4 | Confident | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | trans | -55.3 | 128.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | I395 E400 | I395-G402 PolarHBondContact O-N 2.92Å; E400-G402 PolarHBondContact O-N 3.23Å | ||
| 403 | S | 79 | Confident | 80.5 | Confident | 64 Ų | 64 | 53.7 Ų | 53.7 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | trans | -59.2 | 147 | 174.5 | 67 | 0 | 0 | 0 | 0 | 108.5 | K401 P405 V406 V407 | K401-S403 PolarHBondContact O-N 2.83Å; S403-P405 VanDerWaalsContact O-N 3.1Å; S403-V406 WeakPolarHBondContact O-CA 3.5Å; S403-V406 WeakPolarHBondContact O-CB 3.46Å; S403-V406 PolarHBondContact O-N 3.21Å; S403-V406 WeakPolarHBondContact OG-CG2 3.39Å; S403-V407 PolarHBondContact O-N 3.33Å; S403-V407 VanDerWaalsContact O-N 3.17Å | ||
| 404 | L | 84.9 | Confident | 80.7 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -49.2 | -37 | 177.9 | -173 | 68.5 | 0 | 0 | 0 | 112.8 | V406 V407 A408 A479 V480 E483 | L404-V406 VanDerWaalsContact C-N 3.34Å; L404-V406 PolarHBondContact O-N 3.11Å; L404-V407 PolarHBondContact O-N 3.2Å; L404-A408 WeakPolarHBondContact O-CB 3.16Å; L404-A408 PolarHBondContact O-N 3.4Å; L404-A479 HydrophobicContact CD1-CB 4.23Å; L404-A479 HydrophobicContact CD2-CB 4.22Å; L404-V480 HydrophobicContact CD1-CG2 4.39Å; L404-E483 HydrophobicContact CD1-CB 4.28Å; L404-E483 HydrophobicContact CD1-CG 4.32Å |
| 405 | P | 88.9 | Confident | 81 | Confident | 86 Ų | 86 | 49 Ų | 49 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.2 | -34.5 | 171.6 | -26.8 | 36.3 | 0 | 0 | 0 | 115.5 | S403 A408 T409 | S403-P405 VanDerWaalsContact O-N 3.1Å; P405-A408 WeakPolarHBondContact O-CB 3.49Å; P405-T409 WeakPolarHBondContact O-CB 3.33Å; P405-T409 PolarHBondContact O-N 3.13Å; P405-T409 PolarHBondContact O-OG1 3.34Å |
| 406 | V | 88.6 | Confident | 81.3 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | K371 S403 L404 A408 T409 V410 | K371-V406 HydrophobicContact CB-CG1 3.9Å; K371-V406 HydrophobicContact CG-CG1 4.31Å; S403-V406 WeakPolarHBondContact O-CA 3.5Å; S403-V406 WeakPolarHBondContact O-CB 3.46Å; S403-V406 PolarHBondContact O-N 3.21Å; S403-V406 WeakPolarHBondContact OG-CG2 3.39Å; L404-V406 VanDerWaalsContact C-N 3.34Å; L404-V406 PolarHBondContact O-N 3.11Å; V406-A408 VanDerWaalsContact C-N 3.32Å; V406-A408 PolarHBondContact O-N 2.65Å; V406-T409 PolarHBondContact O-N 3.34Å; V406-V410 VanDerWaalsContact O-CG2 3.3Å; V406-V410 WeakPolarHBondContact O-CG2 2.96Å; V406-V410 PolarHBondContact O-N 2.86Å |
| 407 | V | 90 | Very high | 81.5 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 174.6 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | I395 L396 S403 L404 T409 V410 F411 V480 | I395-V407 HydrophobicContact CG2-CG2 3.66Å; L396-V407 HydrophobicContact CD2-CG2 4.29Å; S403-V407 PolarHBondContact O-N 3.33Å; S403-V407 VanDerWaalsContact O-N 3.17Å; L404-V407 PolarHBondContact O-N 3.2Å; V407-T409 PolarHBondContact O-N 3.19Å; V407-V410 PolarHBondContact O-N 3.09Å; V407-F411 HydrophobicContact CG1-CD2 3.79Å; V407-F411 HydrophobicContact CG1-CE1 4.22Å; V407-F411 HydrophobicContact CG1-CE2 3.32Å; V407-F411 HydrophobicContact CG1-CG 4.43Å; V407-F411 HydrophobicContact CG1-CZ 3.57Å; V407-F411 WeakPolarHBondContact O-CG 3.36Å; V407-F411 PolarHBondContact O-N 3.19Å; V407-V480 HydrophobicContact CG1-CG1 4.37Å |
| 408 | A | 90.3 | Very high | 82.3 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.3 | -51.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L404 P405 V406 V410 F411 D412 E483 | L404-A408 WeakPolarHBondContact O-CB 3.16Å; L404-A408 PolarHBondContact O-N 3.4Å; P405-A408 WeakPolarHBondContact O-CB 3.49Å; V406-A408 VanDerWaalsContact C-N 3.32Å; V406-A408 PolarHBondContact O-N 2.65Å; A408-V410 VanDerWaalsContact C-N 3.31Å; A408-V410 PolarHBondContact O-N 2.95Å; A408-F411 PolarHBondContact O-N 2.84Å; A408-D412 WeakPolarHBondContact O-CB 3.46Å; A408-D412 PolarHBondContact O-N 3.17Å; A408-E483 HydrophobicContact CB-CG 3.77Å; A408-E483 WeakPolarHBondContact CB-OE1 3.32Å |
| 409 | T | 91.6 | Very high | 83.7 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 179.6 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | P405 V406 V407 K413 | P405-T409 WeakPolarHBondContact O-CB 3.33Å; P405-T409 PolarHBondContact O-N 3.13Å; P405-T409 PolarHBondContact O-OG1 3.34Å; V406-T409 PolarHBondContact O-N 3.34Å; V407-T409 PolarHBondContact O-N 3.19Å; T409-K413 HydrophobicContact CG2-CD 4.42Å; T409-K413 WeakPolarHBondContact O-CG 3.17Å; T409-K413 PolarHBondContact O-N 3.48Å; T409-K413 VanDerWaalsContact O-N 3.15Å |
| 410 | V | 91.9 | Very high | 85.4 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 177.7 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | M375 I395 V406 V407 A408 D412 K413 L414 | M375-V410 HydrophobicContact CE-CG1 4.1Å; M375-V410 HydrophobicContact CG-CB 4.28Å; M375-V410 HydrophobicContact CG-CG1 3.94Å; M375-V410 HydrophobicContact CG-CG2 3.81Å; M375-V410 HydrophobicContact SD-CG1 3.96Å; I395-V410 HydrophobicContact CD1-CG2 3.97Å; V406-V410 VanDerWaalsContact O-CG2 3.3Å; V406-V410 WeakPolarHBondContact O-CG2 2.96Å; V406-V410 PolarHBondContact O-N 2.86Å; V407-V410 PolarHBondContact O-N 3.09Å; A408-V410 VanDerWaalsContact C-N 3.31Å; A408-V410 PolarHBondContact O-N 2.95Å; V410-D412 PolarHBondContact O-N 2.79Å; V410-K413 PolarHBondContact O-N 3.27Å; V410-L414 HydrophobicContact CG1-CD1 4.19Å; V410-L414 VanDerWaalsContact O-CG 3.31Å; V410-L414 WeakPolarHBondContact O-CG 3.32Å; V410-L414 PolarHBondContact O-N 3.43Å |
| 411 | F | 93.8 | Very high | 87 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.3 | -67.5 | -17.3 | 0 | 0 | 0 | 112.5 | V407 A408 K413 L414 N415 M458 V480 E483 Y484 S487 | V407-F411 HydrophobicContact CG1-CD2 3.79Å; V407-F411 HydrophobicContact CG1-CE1 4.22Å; V407-F411 HydrophobicContact CG1-CE2 3.32Å; V407-F411 HydrophobicContact CG1-CG 4.43Å; V407-F411 HydrophobicContact CG1-CZ 3.57Å; V407-F411 WeakPolarHBondContact O-CG 3.36Å; V407-F411 PolarHBondContact O-N 3.19Å; A408-F411 PolarHBondContact O-N 2.84Å; F411-K413 VanDerWaalsContact C-N 3.34Å; F411-K413 PolarHBondContact O-N 3.02Å; F411-L414 HydrophobicContact CD1-CD1 4.37Å; F411-L414 PolarHBondContact O-N 2.95Å; F411-N415 WeakPolarHBondContact O-CB 3.39Å; F411-N415 PolarHBondContact O-N 3.1Å; F411-N415 PolarHBondContact O-ND2 3.37Å; F411-M458 HydrophobicContact CE1-CE 3.61Å; F411-M458 HydrophobicContact CZ-CE 3.96Å; F411-V480 HydrophobicContact CE2-CG1 4.02Å; F411-V480 HydrophobicContact CZ-CG1 4.06Å; F411-E483 HydrophobicContact CD2-CB 4.44Å; F411-E483 HydrophobicContact CD2-CG 4.42Å; F411-Y484 HydrophobicContact CB-CD2 4.26Å; F411-Y484 HydrophobicContact CD1-CD2 4.07Å; F411-Y484 AromaticContact CD2-CD2 3.98Å; F411-Y484 HydrophobicContact CD2-CD2 3.98Å; F411-Y484 HydrophobicContact CD2-CG 4.4Å; F411-Y484 HydrophobicContact CE1-CD2 4.39Å; F411-Y484 HydrophobicContact CE2-CD2 4.29Å; F411-Y484 HydrophobicContact CE2-CG 4.43Å; F411-Y484 AromaticContact CG-CD2 3.86Å; F411-Y484 HydrophobicContact CG-CD2 3.86Å; F411-Y484 HydrophobicContact CZ-CD2 4.48Å; F411-S487 PolarHBondContact O-OG 3.11Å |
| 412 | D | 92.8 | Very high | 88.3 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 178.2 | -69.7 | -22.1 | 0 | 0 | 0 | 111.4 | A408 V410 Q416 R486 S487 | A408-D412 WeakPolarHBondContact O-CB 3.46Å; A408-D412 PolarHBondContact O-N 3.17Å; V410-D412 PolarHBondContact O-N 2.79Å; D412-Q416 VanDerWaalsContact O-CB 3.24Å; D412-Q416 WeakPolarHBondContact O-CB 3.37Å; D412-Q416 PolarHBondContact O-N 3.38Å; D412-R486 IonicContact OD1-CZ 2.74Å; D412-R486 IonicContact OD1-NH1 3.48Å; D412-R486 IonicContact OD1-NH2 3.36Å; D412-R486 PolarHBondContact OD1-NH2 3.37Å; D412-R486 VanDerWaalsContact OD1-NH2 3.15Å; D412-R486 IonicContact OD2-CZ 2.73Å; D412-R486 IonicContact OD2-NH1 2.68Å; D412-R486 IonicContact OD2-NH2 3.94Å; D412-R486 PolarHBondContact OD2-NH2 3.48Å; D412-S487 VanDerWaalsContact CA-OG 3.25Å; D412-S487 WeakPolarHBondContact CA-OG 3.4Å; D412-S487 PolarHBondContact N-OG 2.94Å; D412-S487 WeakPolarHBondContact OD1-CA 3.35Å; D412-S487 WeakPolarHBondContact OD1-CB 3.49Å; D412-S487 PolarHBondContact OD1-OG 2.82Å |
| 413 | K | 91 | Very high | 89.6 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 175.5 | -70 | 178.9 | -179.4 | -158.2 | 0 | 113 | G372 M375 D376 L379 T409 V410 F411 V417 | G372-K413 PolarHBondContact O-NZ 3.35Å; M375-K413 HydrophobicContact CB-CD 4.13Å; D376-K413 WeakPolarHBondContact OD1-CD 3.4Å; D376-K413 WeakPolarHBondContact OD1-CE 3.32Å; D376-K413 IonicContact OD1-NZ 2.94Å; D376-K413 PolarHBondContact OD1-NZ 2.88Å; D376-K413 IonicContact OD2-NZ 3.32Å; D376-K413 PolarHBondContact OD2-NZ 3.45Å; L379-K413 HydrophobicContact CD1-CB 3.95Å; T409-K413 HydrophobicContact CG2-CD 4.42Å; T409-K413 WeakPolarHBondContact O-CG 3.17Å; T409-K413 PolarHBondContact O-N 3.48Å; T409-K413 VanDerWaalsContact O-N 3.15Å; V410-K413 PolarHBondContact O-N 3.27Å; F411-K413 VanDerWaalsContact C-N 3.34Å; F411-K413 PolarHBondContact O-N 3.02Å; K413-V417 PolarHBondContact O-N 3Å |
| 414 | L | 92.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -50.6 | 176.9 | -73.2 | 178.7 | 0 | 0 | 0 | 111.6 | M375 L379 I388 V410 F411 Q416 V417 Y418 I453 | M375-L414 HydrophobicContact CE-CD1 4.44Å; M375-L414 HydrophobicContact CE-CD2 3.39Å; M375-L414 HydrophobicContact CE-CG 3.84Å; L379-L414 HydrophobicContact CD2-CD2 3.98Å; I388-L414 HydrophobicContact CG2-CD2 3.76Å; V410-L414 HydrophobicContact CG1-CD1 4.19Å; V410-L414 VanDerWaalsContact O-CG 3.31Å; V410-L414 WeakPolarHBondContact O-CG 3.32Å; V410-L414 PolarHBondContact O-N 3.43Å; F411-L414 HydrophobicContact CD1-CD1 4.37Å; F411-L414 PolarHBondContact O-N 2.95Å; L414-Q416 VanDerWaalsContact C-N 3.32Å; L414-Q416 PolarHBondContact O-N 3.33Å; L414-V417 PolarHBondContact O-N 2.88Å; L414-Y418 PolarHBondContact O-N 2.91Å; L414-I453 HydrophobicContact CD2-CD1 3.86Å |
| 415 | N | 93.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.9 | -28.6 | -176.2 | -70.5 | -34.3 | 0 | 0 | 0 | 111.7 | F411 Y418 K419 S487 L488 N491 I493 | F411-N415 WeakPolarHBondContact O-CB 3.39Å; F411-N415 PolarHBondContact O-N 3.1Å; F411-N415 PolarHBondContact O-ND2 3.37Å; N415-Y418 PolarHBondContact O-N 2.77Å; N415-K419 WeakPolarHBondContact O-CB 3.48Å; N415-K419 PolarHBondContact O-N 3.12Å; N415-S487 VanDerWaalsContact ND2-CB 3.34Å; N415-S487 WeakPolarHBondContact ND2-CB 3.35Å; N415-S487 PolarHBondContact ND2-OG 3.47Å; N415-L488 WeakPolarHBondContact OD1-CD2 3.46Å; N415-N491 HydrophobicContact CB-CB 4.4Å; N415-N491 WeakPolarHBondContact CB-ND2 3.42Å; N415-I493 HydrophobicContact CB-CD1 4.23Å; N415-I493 WeakPolarHBondContact O-CD1 3.48Å |
| 416 | Q | 91.3 | Very high | 89.7 | Confident | 100 Ų | 100 | 42.9 Ų | 42.9 | 47% | 0.467 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.9 | -50.6 | 170.1 | -179.1 | 178 | -3.2 | 0 | 0 | 111.3 | D412 L414 Y418 K419 E420 | D412-Q416 VanDerWaalsContact O-CB 3.24Å; D412-Q416 WeakPolarHBondContact O-CB 3.37Å; D412-Q416 PolarHBondContact O-N 3.38Å; L414-Q416 VanDerWaalsContact C-N 3.32Å; L414-Q416 PolarHBondContact O-N 3.33Å; Q416-Y418 VanDerWaalsContact C-N 3.27Å; Q416-Y418 PolarHBondContact O-N 3.14Å; Q416-K419 WeakPolarHBondContact O-CB 3.4Å; Q416-K419 PolarHBondContact O-N 3.3Å; Q416-K419 VanDerWaalsContact O-N 3.13Å; Q416-E420 WeakPolarHBondContact O-CG 3.19Å; Q416-E420 PolarHBondContact O-N 3.02Å |
| 417 | V | 89.1 | Confident | 89.5 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -37 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | L379 K413 L414 E420 Y421 V452 | L379-V417 HydrophobicContact CD1-CG2 4.03Å; L379-V417 HydrophobicContact CD2-CB 4.36Å; L379-V417 HydrophobicContact CD2-CG1 4.49Å; L379-V417 HydrophobicContact CD2-CG2 4.08Å; L379-V417 HydrophobicContact CG-CG2 4.46Å; K413-V417 PolarHBondContact O-N 3Å; L414-V417 PolarHBondContact O-N 2.88Å; V417-E420 PolarHBondContact O-N 2.99Å; V417-Y421 PolarHBondContact O-N 3.22Å; V417-Y421 VanDerWaalsContact O-N 3.11Å; V417-V452 HydrophobicContact CG1-CG2 4.4Å |
| 418 | Y | 90.6 | Very high | 89.1 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 13% | 0.129 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 174.6 | -176.5 | -146.5 | 0 | 0 | 0 | 112.1 | L414 N415 Q416 Y421 L422 V452 D454 Q455 I493 | L414-Y418 PolarHBondContact O-N 2.91Å; N415-Y418 PolarHBondContact O-N 2.77Å; Q416-Y418 VanDerWaalsContact C-N 3.27Å; Q416-Y418 PolarHBondContact O-N 3.14Å; Y418-Y421 HydrophobicContact CD2-CD1 4.46Å; Y418-Y421 WeakPolarHBondContact O-CB 3.44Å; Y418-Y421 PolarHBondContact O-N 2.97Å; Y418-L422 HydrophobicContact CD2-CD1 4.37Å; Y418-L422 HydrophobicContact CD2-CG 4.15Å; Y418-L422 HydrophobicContact CE1-CD1 4.18Å; Y418-L422 HydrophobicContact CE2-CD1 4.05Å; Y418-L422 HydrophobicContact CE2-CD2 3.88Å; Y418-L422 HydrophobicContact CE2-CG 3.85Å; Y418-L422 WeakPolarHBondContact O-CG 3.2Å; Y418-L422 PolarHBondContact O-N 3.48Å; Y418-V452 HydrophobicContact CD2-CG1 3.66Å; Y418-V452 HydrophobicContact CE2-CG1 4.38Å; Y418-V452 HydrophobicContact CG-CG1 4.49Å; Y418-D454 HydrophobicContact CE1-CB 4.48Å; Y418-D454 HydrophobicContact CE2-CB 4.06Å; Y418-Q455 HydrophobicContact CE1-CG 4.2Å; Y418-I493 HydrophobicContact CD1-CD1 3.7Å; Y418-I493 HydrophobicContact CD1-CG2 4.39Å; Y418-I493 HydrophobicContact CE1-CD1 4.36Å; Y418-I493 HydrophobicContact CE1-CG2 4.02Å; Y418-I493 HydrophobicContact CG-CD1 4.32Å |
| 419 | K | 90.7 | Very high | 88.7 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 175.4 | -178.9 | 58.9 | 168.7 | -173.2 | 0 | 111.9 | N415 Q416 Y421 L422 E423 N491 Q492 I493 | N415-K419 WeakPolarHBondContact O-CB 3.48Å; N415-K419 PolarHBondContact O-N 3.12Å; Q416-K419 WeakPolarHBondContact O-CB 3.4Å; Q416-K419 PolarHBondContact O-N 3.3Å; Q416-K419 VanDerWaalsContact O-N 3.13Å; K419-Y421 PolarHBondContact O-N 3.32Å; K419-L422 PolarHBondContact O-N 3.23Å; K419-E423 HydrophobicContact CD-CG 4.27Å; K419-E423 WeakPolarHBondContact CE-OE1 3.49Å; K419-E423 HydrophobicContact CG-CG 4.49Å; K419-E423 WeakPolarHBondContact O-CG 3.48Å; K419-E423 PolarHBondContact O-N 2.89Å; K419-N491 HydrophobicContact CB-CB 4.38Å; K419-N491 VanDerWaalsContact CD-O 3.24Å; K419-N491 WeakPolarHBondContact CD-O 3.33Å; K419-N491 VanDerWaalsContact CE-O 3.28Å; K419-N491 WeakPolarHBondContact CE-O 3.37Å; K419-Q492 PolarHBondContact NZ-O 3.39Å; K419-Q492 VanDerWaalsContact NZ-O 3.07Å; K419-I493 HydrophobicContact CB-CD1 4.13Å; K419-I493 HydrophobicContact CB-CG1 4.36Å; K419-I493 HydrophobicContact CD-CG1 4.18Å |
| 420 | E | 88.6 | Confident | 88.3 | Confident | 104 Ų | 104 | 48.8 Ų | 48.8 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.3 | -39.8 | 176.6 | -71.1 | 173.5 | -168.7 | 0 | 0 | 111.4 | Q416 V417 A424 | Q416-E420 WeakPolarHBondContact O-CG 3.19Å; Q416-E420 PolarHBondContact O-N 3.02Å; V417-E420 PolarHBondContact O-N 2.99Å; E420-A424 WeakPolarHBondContact O-CB 3.26Å; E420-A424 PolarHBondContact O-N 3.03Å |
| 421 | Y | 87.2 | Confident | 87.7 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 17% | 0.169 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 174.1 | 173.2 | -95.5 | 0 | 0 | 0 | 112.7 | V417 Y418 K419 E423 A424 E425 R448 V452 | V417-Y421 PolarHBondContact O-N 3.22Å; V417-Y421 VanDerWaalsContact O-N 3.11Å; Y418-Y421 HydrophobicContact CD2-CD1 4.46Å; Y418-Y421 WeakPolarHBondContact O-CB 3.44Å; Y418-Y421 PolarHBondContact O-N 2.97Å; K419-Y421 PolarHBondContact O-N 3.32Å; Y421-E423 VanDerWaalsContact C-N 3.33Å; Y421-E423 PolarHBondContact O-N 3.26Å; Y421-A424 PolarHBondContact O-N 3.44Å; Y421-E425 HydrophobicContact CE1-CG 3.98Å; Y421-E425 HydrophobicContact CE2-CG 4.09Å; Y421-E425 PolarHBondContact O-N 3.48Å; Y421-R448 HydrophobicContact CE2-CB 4.11Å; Y421-R448 HydrophobicContact CE2-CG 4.34Å; Y421-V452 HydrophobicContact CD1-CG1 3.99Å; Y421-V452 HydrophobicContact CD2-CG2 4.01Å; Y421-V452 HydrophobicContact CG-CG1 3.98Å; Y421-V452 HydrophobicContact CG-CG2 3.94Å |
| 422 | L | 87.4 | Confident | 86.9 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 178.1 | -70.1 | 174.2 | 0 | 0 | 0 | 111.7 | Y418 K419 E425 Q426 I493 | Y418-L422 HydrophobicContact CD2-CD1 4.37Å; Y418-L422 HydrophobicContact CD2-CG 4.15Å; Y418-L422 HydrophobicContact CE1-CD1 4.18Å; Y418-L422 HydrophobicContact CE2-CD1 4.05Å; Y418-L422 HydrophobicContact CE2-CD2 3.88Å; Y418-L422 HydrophobicContact CE2-CG 3.85Å; Y418-L422 WeakPolarHBondContact O-CG 3.2Å; Y418-L422 PolarHBondContact O-N 3.48Å; K419-L422 PolarHBondContact O-N 3.23Å; L422-E425 PolarHBondContact O-N 2.87Å; L422-Q426 WeakPolarHBondContact O-CB 3.49Å; L422-Q426 VanDerWaalsContact O-CG 3.27Å; L422-Q426 WeakPolarHBondContact O-CG 3.12Å; L422-Q426 PolarHBondContact O-N 2.95Å; L422-I493 HydrophobicContact CD1-CG1 4.41Å; L422-I493 HydrophobicContact CD1-CG2 4.21Å |
| 423 | E | 88.1 | Confident | 86.1 | Confident | 91 Ų | 91 | 62.2 Ų | 62.2 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 176.2 | -70.4 | 177.5 | 171 | 0 | 0 | 112 | K419 Y421 Q426 S427 | K419-E423 HydrophobicContact CD-CG 4.27Å; K419-E423 WeakPolarHBondContact CE-OE1 3.49Å; K419-E423 HydrophobicContact CG-CG 4.49Å; K419-E423 WeakPolarHBondContact O-CG 3.48Å; K419-E423 PolarHBondContact O-N 2.89Å; Y421-E423 VanDerWaalsContact C-N 3.33Å; Y421-E423 PolarHBondContact O-N 3.26Å; E423-Q426 PolarHBondContact O-N 3.35Å; E423-S427 WeakPolarHBondContact O-CB 3.35Å; E423-S427 PolarHBondContact O-N 3.45Å; E423-S427 PolarHBondContact O-OG 2.73Å |
| 424 | A | 85.3 | Confident | 85.1 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E420 Y421 S427 Y428 P446 | E420-A424 WeakPolarHBondContact O-CB 3.26Å; E420-A424 PolarHBondContact O-N 3.03Å; Y421-A424 PolarHBondContact O-N 3.44Å; A424-S427 PolarHBondContact O-N 3.19Å; A424-Y428 WeakPolarHBondContact O-CB 3.39Å; A424-Y428 PolarHBondContact O-N 3.36Å; A424-P446 HydrophobicContact CB-CB 3.96Å; A424-P446 HydrophobicContact CB-CG 3.98Å |
| 425 | E | 84.4 | Confident | 83.5 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 16% | 0.159 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 175.7 | -86.8 | -80.5 | 108.7 | 0 | 0 | 111.4 | Y421 L422 Y428 T429 R445 P446 | Y421-E425 HydrophobicContact CE1-CG 3.98Å; Y421-E425 HydrophobicContact CE2-CG 4.09Å; Y421-E425 PolarHBondContact O-N 3.48Å; L422-E425 PolarHBondContact O-N 2.87Å; E425-Y428 PolarHBondContact O-N 3.2Å; E425-T429 WeakPolarHBondContact O-CB 3.39Å; E425-T429 PolarHBondContact O-N 3.23Å; E425-T429 PolarHBondContact O-OG1 3.28Å; E425-R445 WeakPolarHBondContact OE1-CG 3.42Å; E425-R445 IonicContact OE1-CZ 2.66Å; E425-R445 IonicContact OE1-NE 3.63Å; E425-R445 PolarHBondContact OE1-NE 2.97Å; E425-R445 IonicContact OE1-NH2 2.62Å; E425-R445 IonicContact OE2-CZ 2.79Å; E425-R445 IonicContact OE2-NE 3.98Å; E425-R445 IonicContact OE2-NH2 2.71Å; E425-R445 PolarHBondContact OE2-NH2 3.26Å; E425-P446 HydrophobicContact CB-CG 4.43Å; E425-P446 HydrophobicContact CG-CG 3.86Å; E425-P446 WeakPolarHBondContact OE1-CG 3.17Å |
| 426 | Q | 84.9 | Confident | 81.8 | Confident | 128 Ų | 128 | 72.8 Ų | 72.8 | 60% | 0.598 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.5 | -47.1 | 175.1 | -76.5 | 176.6 | 4.1 | 0 | 0 | 111.5 | L422 E423 Y428 T429 A430 | L422-Q426 WeakPolarHBondContact O-CB 3.49Å; L422-Q426 VanDerWaalsContact O-CG 3.27Å; L422-Q426 WeakPolarHBondContact O-CG 3.12Å; L422-Q426 PolarHBondContact O-N 2.95Å; E423-Q426 PolarHBondContact O-N 3.35Å; Q426-Y428 VanDerWaalsContact C-N 3.31Å; Q426-Y428 PolarHBondContact O-N 3.23Å; Q426-T429 PolarHBondContact O-N 2.87Å; Q426-A430 WeakPolarHBondContact O-CB 3.24Å; Q426-A430 PolarHBondContact O-N 2.76Å |
| 427 | S | 84.3 | Confident | 79.9 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 54% | 0.538 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | E423 A424 A431 | E423-S427 WeakPolarHBondContact O-CB 3.35Å; E423-S427 PolarHBondContact O-N 3.45Å; E423-S427 PolarHBondContact O-OG 2.73Å; A424-S427 PolarHBondContact O-N 3.19Å; S427-A431 WeakPolarHBondContact O-CB 3.43Å; S427-A431 PolarHBondContact O-N 3.49Å |
| 428 | Y | 82.8 | Confident | 77.8 | Confident | 51 Ų | 51 | 83.4 Ų | 83.4 | 20% | 0.2 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.2 | 176.8 | -96.8 | 0 | 0 | 0 | 112.4 | A424 E425 Q426 A431 M432 Q443 R445 | A424-Y428 WeakPolarHBondContact O-CB 3.39Å; A424-Y428 PolarHBondContact O-N 3.36Å; E425-Y428 PolarHBondContact O-N 3.2Å; Q426-Y428 VanDerWaalsContact C-N 3.31Å; Q426-Y428 PolarHBondContact O-N 3.23Å; Y428-A431 PolarHBondContact O-N 3.37Å; Y428-M432 HydrophobicContact CD1-SD 4.33Å; Y428-M432 HydrophobicContact CE1-CG 3.96Å; Y428-M432 HydrophobicContact CE1-SD 3.38Å; Y428-M432 WeakPolarHBondContact CE1-SD 3.11Å; Y428-M432 VanDerWaalsContact CZ-SD 3.58Å; Y428-M432 PolarHBondContact O-N 2.9Å; Y428-M432 PolarHBondContact OH-SD 2.68Å; Y428-M432 VanDerWaalsContact OH-SD 3.36Å; Y428-Q443 HydrophobicContact CD2-CB 4.48Å; Y428-R445 HydrophobicContact CD1-CB 4.4Å; Y428-R445 HydrophobicContact CD1-CG 3.97Å; Y428-R445 HydrophobicContact CD2-CB 4.33Å; Y428-R445 HydrophobicContact CE1-CB 3.96Å; Y428-R445 HydrophobicContact CE1-CG 3.76Å; Y428-R445 HydrophobicContact CE2-CB 3.86Å; Y428-R445 HydrophobicContact CE2-CG 4.46Å; Y428-R445 HydrophobicContact CG-CG 4.42Å |
| 429 | T | 82.1 | Confident | 75.7 | Confident | 64 Ų | 64 | 85.8 Ų | 85.8 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 179 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | E425 Q426 A431 M432 E433 | E425-T429 WeakPolarHBondContact O-CB 3.39Å; E425-T429 PolarHBondContact O-N 3.23Å; E425-T429 PolarHBondContact O-OG1 3.28Å; Q426-T429 PolarHBondContact O-N 2.87Å; T429-A431 VanDerWaalsContact C-N 3.28Å; T429-A431 PolarHBondContact O-N 3.38Å; T429-M432 PolarHBondContact O-N 2.61Å; T429-M432 VanDerWaalsContact O-N 3.14Å; T429-E433 WeakPolarHBondContact O-CG 3.42Å; T429-E433 PolarHBondContact O-N 2.98Å |
| 430 | A | 82.4 | Confident | 73.4 | Confident | 56 Ų | 56 | 86.6 Ų | 86.6 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -35.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q426 S434 | Q426-A430 WeakPolarHBondContact O-CB 3.24Å; Q426-A430 PolarHBondContact O-N 2.76Å; A430-S434 PolarHBondContact O-N 3.15Å; A430-S434 VanDerWaalsContact O-N 3.17Å; A430-S434 PolarHBondContact O-OG 3.41Å |
| 431 | A | 78.3 | Confident | 71.3 | Confident | 35 Ų | 35 | 84.8 Ų | 84.8 | 29% | 0.289 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.5 | -34 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S427 Y428 T429 S434 | S427-A431 WeakPolarHBondContact O-CB 3.43Å; S427-A431 PolarHBondContact O-N 3.49Å; Y428-A431 PolarHBondContact O-N 3.37Å; T429-A431 VanDerWaalsContact C-N 3.28Å; T429-A431 PolarHBondContact O-N 3.38Å; A431-S434 WeakPolarHBondContact CA-OG 3.25Å; A431-S434 PolarHBondContact O-OG 2.98Å |
| 432 | M | 76.8 | Confident | 69.4 | Low | 127 Ų | 127 | 87.6 Ų | 87.6 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.9 | -38.6 | 172.8 | -82.6 | -167.8 | 75 | 0 | 0 | 112.2 | Y428 T429 | Y428-M432 HydrophobicContact CD1-SD 4.33Å; Y428-M432 HydrophobicContact CE1-CG 3.96Å; Y428-M432 HydrophobicContact CE1-SD 3.38Å; Y428-M432 WeakPolarHBondContact CE1-SD 3.11Å; Y428-M432 VanDerWaalsContact CZ-SD 3.58Å; Y428-M432 PolarHBondContact O-N 2.9Å; Y428-M432 PolarHBondContact OH-SD 2.68Å; Y428-M432 VanDerWaalsContact OH-SD 3.36Å; T429-M432 PolarHBondContact O-N 2.61Å; T429-M432 VanDerWaalsContact O-N 3.14Å |
| 433 | E | 77 | Confident | 67.8 | Low | 163 Ų | 163 | 91.7 Ų | 91.7 | 76% | 0.762 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.2 | -28.8 | 179.7 | -70.9 | 178 | 173.4 | 0 | 0 | 113 | T429 | T429-E433 WeakPolarHBondContact O-CG 3.42Å; T429-E433 PolarHBondContact O-N 2.98Å |
| 434 | S | 70.8 | Confident | 66.2 | Low | 96 Ų | 96 | 96.7 Ų | 96.7 | 67% | 0.671 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -2.2 | -179.3 | 48.9 | 0 | 0 | 0 | 0 | 115.2 | A430 A431 | A430-S434 PolarHBondContact O-N 3.15Å; A430-S434 VanDerWaalsContact O-N 3.17Å; A430-S434 PolarHBondContact O-OG 3.41Å; A431-S434 WeakPolarHBondContact CA-OG 3.25Å; A431-S434 PolarHBondContact O-OG 2.98Å |
| 435 | G | 57.9 | Low | 64.6 | Low | 34 Ų | 34 | 101.7 Ų | 101.7 | 35% | 0.351 | 60% | 0.597 | S | S | . | * | trans | 73.7 | 162.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S437 | G435-S437 PolarHBondContact O-N 3.16Š| ||
| 436 | P | 57.2 | Low | 63.1 | Low | 137 Ų | 137 | 101.6 Ų | 101.6 | 89% | 0.89 | 60% | 0.599 | S | S | * | * | trans | -67.9 | 109.6 | -175.1 | 25.7 | -31.5 | 0 | 0 | 0 | 111.1 | ||||
| 437 | S | 53 | Low | 61.6 | Low | 93 Ų | 93 | 100.5 Ų | 100.5 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | trans | -66.4 | 132 | 169.5 | 43.7 | 0 | 0 | 0 | 0 | 110.3 | G435 G439 G440 | G435-S437 PolarHBondContact O-N 3.16Å; S437-G439 PolarHBondContact O-N 3Å; S437-G440 PolarHBondContact O-N 3.49Å | ||
| 438 | R | 43.6 | Very low | 60.2 | Low | 264 Ų | 264 | 102.7 Ų | 102.7 | 100% | 0.996 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 91 | 176 | -75.9 | -177.2 | 173.3 | 179.5 | -1.4 | 109.7 | ||
| 439 | G | 46.6 | Very low | 58.5 | Low | 82 Ų | 82 | 104.4 Ų | 104.4 | 85% | 0.845 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.1 | -11.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S437 | S437-G439 PolarHBondContact O-N 3Š|
| 440 | G | 42.7 | Very low | 57.2 | Low | 55 Ų | 55 | 104.5 Ų | 104.5 | 57% | 0.567 | 61% | 0.609 | S | S | * | * | trans | -81.2 | 127.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S437 | S437-G440 PolarHBondContact O-N 3.49Š| ||
| 441 | G | 45.6 | Very low | 56.4 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | trans | -57.2 | 150 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q443 | G441-Q443 PolarHBondContact O-N 3.18Š| ||
| 442 | A | 46.9 | Very low | 56.6 | Low | 101 Ų | 101 | 101 Ų | 101 | 84% | 0.835 | 58% | 0.579 | S | S | * | * | trans | -51.4 | 110.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | K444 | A442-K444 PolarHBondContact O-N 2.8Å; A442-K444 VanDerWaalsContact O-N 3.14Å | ||
| 443 | Q | 53.2 | Low | 57.1 | Low | 131 Ų | 131 | 95 Ų | 95 | 61% | 0.612 | 55% | 0.55 | S | S | * | * | trans | -67.8 | 114.3 | 175.1 | -73.9 | -158.6 | -18.9 | 0 | 0 | 107.7 | Y428 G441 R445 | Y428-Q443 HydrophobicContact CD2-CB 4.48Å; G441-Q443 PolarHBondContact O-N 3.18Å; Q443-R445 PolarHBondContact O-N 2.91Å | ||
| 444 | K | 54.1 | Low | 57.7 | Low | 197 Ų | 197 | 88.4 Ų | 88.4 | 86% | 0.857 | 52% | 0.52 | S | S | * | . | trans | -69.9 | 126.3 | 172.6 | -70.2 | -177.2 | 178 | -178.6 | 0 | 107.2 | A442 | A442-K444 PolarHBondContact O-N 2.8Å; A442-K444 VanDerWaalsContact O-N 3.14Å | ||
| 445 | R | 51.7 | Low | 58.8 | Low | 144 Ų | 144 | 84 Ų | 84 | 54% | 0.543 | 49% | 0.489 | S | S | . | . | trans | -48.1 | 132.7 | 169.2 | -173.3 | 177.2 | -177.7 | 176.2 | 3.9 | 108.4 | E425 Y428 Q443 V447 | E425-R445 WeakPolarHBondContact OE1-CG 3.42Å; E425-R445 IonicContact OE1-CZ 2.66Å; E425-R445 IonicContact OE1-NE 3.63Å; E425-R445 PolarHBondContact OE1-NE 2.97Å; E425-R445 IonicContact OE1-NH2 2.62Å; E425-R445 IonicContact OE2-CZ 2.79Å; E425-R445 IonicContact OE2-NE 3.98Å; E425-R445 IonicContact OE2-NH2 2.71Å; E425-R445 PolarHBondContact OE2-NH2 3.26Å; Y428-R445 HydrophobicContact CD1-CB 4.4Å; Y428-R445 HydrophobicContact CD1-CG 3.97Å; Y428-R445 HydrophobicContact CD2-CB 4.33Å; Y428-R445 HydrophobicContact CE1-CB 3.96Å; Y428-R445 HydrophobicContact CE1-CG 3.76Å; Y428-R445 HydrophobicContact CE2-CB 3.86Å; Y428-R445 HydrophobicContact CE2-CG 4.46Å; Y428-R445 HydrophobicContact CG-CG 4.42Å; Q443-R445 PolarHBondContact O-N 2.91Å; R445-V447 VanDerWaalsContact C-N 3.33Å; R445-V447 PolarHBondContact O-N 3.42Å | ||
| 446 | P | 54.3 | Low | 60.4 | Low | 31 Ų | 31 | 84.7 Ų | 84.7 | 20% | 0.201 | 49% | 0.488 | C | S | . | . | trans | -58.3 | 104.8 | 170.3 | 23.6 | -30.5 | 0 | 0 | 0 | 107.1 | A424 E425 R448 | A424-P446 HydrophobicContact CB-CB 3.96Å; A424-P446 HydrophobicContact CB-CG 3.98Å; E425-P446 HydrophobicContact CB-CG 4.43Å; E425-P446 HydrophobicContact CG-CG 3.86Å; E425-P446 WeakPolarHBondContact OE1-CG 3.17Å; P446-R448 PolarHBondContact O-N 2.67Å | ||
| 447 | V | 52.6 | Low | 62 | Low | 106 Ų | 106 | 79 Ų | 79 | 64% | 0.642 | 45% | 0.45 | S | S | * | . | trans | -60.6 | 136.8 | 169.5 | 179.6 | 0 | 0 | 0 | 0 | 104.9 | R445 T449 | R445-V447 VanDerWaalsContact C-N 3.33Å; R445-V447 PolarHBondContact O-N 3.42Å; V447-T449 HydrophobicContact CB-CG2 4.09Å; V447-T449 HydrophobicContact CG1-CG2 4.37Å; V447-T449 PolarHBondContact O-N 3.01Å | ||
| 448 | R | 54.1 | Low | 63.9 | Low | 122 Ų | 122 | 74.5 Ų | 74.5 | 46% | 0.46 | 42% | 0.419 | S | S | . | . | trans | -60.5 | 79.7 | 166.4 | -165.5 | 176.1 | 178.7 | 177.3 | 0.1 | 107.1 | Y421 P446 D454 D457 | Y421-R448 HydrophobicContact CE2-CB 4.11Å; Y421-R448 HydrophobicContact CE2-CG 4.34Å; P446-R448 PolarHBondContact O-N 2.67Å; R448-D454 IonicContact CZ-OD2 3.97Å; R448-D454 IonicContact NH1-OD2 2.8Å; R448-D454 VanDerWaalsContact NH2-CG 3.31Å; R448-D454 IonicContact NH2-OD2 3.6Å; R448-D454 PolarHBondContact NH2-OD2 3.21Å; R448-D457 IonicContact NH2-OD2 2.67Å; R448-D457 PolarHBondContact NH2-OD2 3.1Å | ||
| 449 | T | 47.8 | Very low | 66.3 | Low | 87 Ų | 87 | 64.7 Ų | 64.7 | 53% | 0.534 | 38% | 0.382 | S | S | . | . | trans | -74.3 | 157.2 | -176 | 43.7 | 0 | 0 | 0 | 0 | 108.7 | V447 A451 V452 | V447-T449 HydrophobicContact CB-CG2 4.09Å; V447-T449 HydrophobicContact CG1-CG2 4.37Å; V447-T449 PolarHBondContact O-N 3.01Å; T449-A451 PolarHBondContact O-N 3.35Å; T449-V452 PolarHBondContact O-N 3.46Å | ||
| 450 | Q | 54.9 | Low | 68.4 | Low | 67 Ų | 67 | 64.7 Ų | 64.7 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -3.9 | -151.7 | -75.8 | 144.4 | -45.4 | 0 | 0 | 118.4 | R382 D383 C384 K385 | R382-Q450 VanDerWaalsContact CA-OE1 3.22Å; R382-Q450 VanDerWaalsContact CB-NE2 3.31Å; D383-Q450 VanDerWaalsContact N-CB 3.28Å; D383-Q450 VanDerWaalsContact N-CG 3.25Å; D383-Q450 VanDerWaalsContact N-NE2 3.16Å; D383-Q450 PolarHBondContact OD1-NE2 2.79Å; D383-Q450 PolarHBondContact OD2-NE2 3.4Å; C384-Q450 VanDerWaalsContact SG-C 3.58Å; C384-Q450 PolarHBondContact SG-O 2.57Å; K385-Q450 PolarHBondContact N-O 3.34Å |
| 451 | A | 64.8 | Low | 70.6 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 7% | 0.066 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L379 C384 T449 I453 | L379-A451 HydrophobicContact CD2-CB 4.03Å; L379-A451 WeakPolarHBondContact O-CB 3.14Å; C384-A451 VanDerWaalsContact SG-CA 3.53Å; C384-A451 VanDerWaalsContact SG-CB 3.59Å; T449-A451 PolarHBondContact O-N 3.35Å; A451-I453 PolarHBondContact O-N 3.33Å |
| 452 | V | 83.3 | Confident | 72.7 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | trans | -77.7 | 108.4 | -178.3 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | V417 Y418 Y421 T449 | V417-V452 HydrophobicContact CG1-CG2 4.4Å; Y418-V452 HydrophobicContact CD2-CG1 3.66Å; Y418-V452 HydrophobicContact CE2-CG1 4.38Å; Y418-V452 HydrophobicContact CG-CG1 4.49Å; Y421-V452 HydrophobicContact CD1-CG1 3.99Å; Y421-V452 HydrophobicContact CD2-CG2 4.01Å; Y421-V452 HydrophobicContact CG-CG1 3.98Å; Y421-V452 HydrophobicContact CG-CG2 3.94Å; T449-V452 PolarHBondContact O-N 3.46Å | ||
| 453 | I | 87.7 | Confident | 74.8 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | trans | -97.7 | 118.2 | 172.8 | -67.6 | 175.8 | 0 | 0 | 0 | 108.2 | K385 I388 L389 L414 A451 D457 M458 | K385-I453 HydrophobicContact CG-CG1 4.44Å; I388-I453 HydrophobicContact CB-CD1 3.74Å; I388-I453 HydrophobicContact CG2-CD1 3.24Å; L389-I453 HydrophobicContact CD2-CD1 4.01Å; L389-I453 HydrophobicContact CD2-CG2 4.01Å; L389-I453 HydrophobicContact CG-CD1 4.12Å; L414-I453 HydrophobicContact CD2-CD1 3.86Å; A451-I453 PolarHBondContact O-N 3.33Å; I453-D457 HydrophobicContact CG2-CB 3.95Å; I453-M458 HydrophobicContact CG2-CB 4.24Å | ||
| 454 | D | 90.1 | Very high | 76.4 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | trans | -87.1 | 174.4 | 175.3 | 72.4 | 26.1 | 0 | 0 | 0 | 111.8 | Y418 R448 S456 D457 M458 | Y418-D454 HydrophobicContact CE1-CB 4.48Å; Y418-D454 HydrophobicContact CE2-CB 4.06Å; R448-D454 IonicContact CZ-OD2 3.97Å; R448-D454 IonicContact NH1-OD2 2.8Å; R448-D454 VanDerWaalsContact NH2-CG 3.31Å; R448-D454 IonicContact NH2-OD2 3.6Å; R448-D454 PolarHBondContact NH2-OD2 3.21Å; D454-S456 VanDerWaalsContact CG-OG 3.29Å; D454-S456 PolarHBondContact O-N 2.77Å; D454-S456 VanDerWaalsContact OD1-CA 3.32Å; D454-S456 WeakPolarHBondContact OD1-CA 3.22Å; D454-S456 WeakPolarHBondContact OD1-CB 3.48Å; D454-S456 PolarHBondContact OD1-N 2.83Å; D454-S456 PolarHBondContact OD1-OG 3.08Å; D454-S456 PolarHBondContact OD2-OG 3.22Å; D454-D457 PolarHBondContact N-OD2 2.84Å; D454-D457 PolarHBondContact O-N 3.25Å; D454-D457 VanDerWaalsContact OD1-CG 3.23Å; D454-D457 PolarHBondContact OD1-N 2.77Å; D454-M458 PolarHBondContact O-N 3.3Å | ||
| 455 | Q | 93.5 | Very high | 78 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -24 | 179 | -67.3 | 179.1 | 53.2 | 0 | 0 | 112.8 | Y418 Y459 L488 T494 Q496 Y498 L499 | Y418-Q455 HydrophobicContact CE1-CG 4.2Å; Q455-Y459 VanDerWaalsContact O-CB 3.27Å; Q455-Y459 WeakPolarHBondContact O-CB 3.47Å; Q455-Y459 PolarHBondContact O-N 2.97Å; Q455-Y459 VanDerWaalsContact O-N 3.16Å; Q455-L488 HydrophobicContact CG-CD1 4.03Å; Q455-L488 HydrophobicContact CG-CD2 3.9Å; Q455-T494 PolarHBondContact NE2-O 3.21Å; Q455-Q496 HydrophobicContact CB-CG 4.42Å; Q455-Y498 WeakPolarHBondContact CB-OH 3.43Å; Q455-Y498 PolarHBondContact O-OH 3.01Å; Q455-Y498 VanDerWaalsContact O-OH 3.1Å; Q455-L499 HydrophobicContact CB-CD1 4.27Å; Q455-L499 HydrophobicContact CG-CD1 4.29Å; Q455-L499 VanDerWaalsContact OE1-CD1 3.23Å |
| 456 | S | 91.5 | Very high | 79.6 | Confident | 49 Ų | 49 | 39 Ų | 39 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -82.1 | -37.7 | -177.8 | 75.6 | 0 | 0 | 0 | 0 | 111.5 | D454 Y459 T460 Y498 | D454-S456 VanDerWaalsContact CG-OG 3.29Å; D454-S456 PolarHBondContact O-N 2.77Å; D454-S456 VanDerWaalsContact OD1-CA 3.32Å; D454-S456 WeakPolarHBondContact OD1-CA 3.22Å; D454-S456 WeakPolarHBondContact OD1-CB 3.48Å; D454-S456 PolarHBondContact OD1-N 2.83Å; D454-S456 PolarHBondContact OD1-OG 3.08Å; D454-S456 PolarHBondContact OD2-OG 3.22Å; S456-Y459 PolarHBondContact O-N 3.12Å; S456-T460 WeakPolarHBondContact O-CB 3.39Å; S456-T460 PolarHBondContact O-N 2.88Å; S456-T460 PolarHBondContact O-OG1 3.47Å; S456-Y498 WeakPolarHBondContact CA-OH 3.32Å; S456-Y498 PolarHBondContact N-OH 2.78Å; S456-Y498 VanDerWaalsContact N-OH 3.09Å |
| 457 | D | 91.2 | Very high | 81.1 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 172.6 | -67.2 | -42.7 | 0 | 0 | 0 | 109.8 | K385 L389 R448 I453 D454 Y459 T460 H461 | K385-D457 WeakPolarHBondContact CE-OD1 3.45Å; K385-D457 WeakPolarHBondContact CE-OD2 3.41Å; K385-D457 IonicContact NZ-OD1 3.96Å; K385-D457 PolarHBondContact NZ-OD1 3.13Å; K385-D457 IonicContact NZ-OD2 3.23Å; K385-D457 PolarHBondContact NZ-OD2 2.84Å; L389-D457 HydrophobicContact CD2-CB 4.45Å; R448-D457 IonicContact NH2-OD2 2.67Å; R448-D457 PolarHBondContact NH2-OD2 3.1Å; I453-D457 HydrophobicContact CG2-CB 3.95Å; D454-D457 PolarHBondContact N-OD2 2.84Å; D454-D457 PolarHBondContact O-N 3.25Å; D454-D457 VanDerWaalsContact OD1-CG 3.23Å; D454-D457 PolarHBondContact OD1-N 2.77Å; D457-Y459 PolarHBondContact O-N 2.85Å; D457-T460 PolarHBondContact O-N 3.21Å; D457-H461 WeakPolarHBondContact O-CB 3.32Å; D457-H461 PolarHBondContact O-CD2 3.3Å; D457-H461 PolarHBondContact O-N 2.87Å |
| 458 | M | 92.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -40.1 | 179.3 | -169.2 | 59.9 | -156.2 | 0 | 0 | 112.1 | C392 F411 I453 D454 V462 L463 Y484 | C392-M458 HydrophobicContact CB-CE 4.29Å; F411-M458 HydrophobicContact CE1-CE 3.61Å; F411-M458 HydrophobicContact CZ-CE 3.96Å; I453-M458 HydrophobicContact CG2-CB 4.24Å; D454-M458 PolarHBondContact O-N 3.3Å; M458-V462 HydrophobicContact CE-CB 3.4Å; M458-V462 VanDerWaalsContact CE-CB 3.4Å; M458-V462 HydrophobicContact CE-CG1 3.31Å; M458-V462 HydrophobicContact CE-CG2 3.95Å; M458-V462 WeakPolarHBondContact O-CB 3.28Å; M458-V462 PolarHBondContact O-N 3.3Å; M458-V462 HydrophobicContact SD-CB 3.89Å; M458-V462 HydrophobicContact SD-CG1 4.36Å; M458-V462 HydrophobicContact SD-CG2 3.89Å; M458-L463 HydrophobicContact CE-CD2 3.74Å; M458-L463 HydrophobicContact CE-CG 3.91Å; M458-L463 HydrophobicContact CG-CD1 4.06Å; M458-L463 HydrophobicContact CG-CG 4.1Å; M458-L463 PolarHBondContact O-N 2.99Å; M458-Y484 HydrophobicContact CB-CE1 4.47Å; M458-Y484 HydrophobicContact CB-CE2 4.49Å; M458-Y484 HydrophobicContact CG-CD2 4.42Å; M458-Y484 HydrophobicContact CG-CE1 4.16Å; M458-Y484 HydrophobicContact CG-CE2 3.88Å |
| 459 | Y | 92.3 | Very high | 83.7 | Confident | 58 Ų | 58 | 38.4 Ų | 38.4 | 23% | 0.227 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -63.4 | -51.6 | 175.9 | 178.2 | -93.3 | 0 | 0 | 0 | 112.3 | Q455 S456 D457 S464 Y498 L499 L502 | Q455-Y459 VanDerWaalsContact O-CB 3.27Å; Q455-Y459 WeakPolarHBondContact O-CB 3.47Å; Q455-Y459 PolarHBondContact O-N 2.97Å; Q455-Y459 VanDerWaalsContact O-N 3.16Å; S456-Y459 PolarHBondContact O-N 3.12Å; D457-Y459 PolarHBondContact O-N 2.85Å; Y459-S464 VanDerWaalsContact O-CB 3.25Å; Y459-S464 WeakPolarHBondContact O-CB 3.22Å; Y459-S464 PolarHBondContact O-N 3.02Å; Y459-S464 PolarHBondContact O-OG 3.17Å; Y459-Y498 HydrophobicContact CD1-CD2 4.36Å; Y459-Y498 AromaticContact CD2-CD2 3.55Å; Y459-Y498 HydrophobicContact CD2-CD2 3.55Å; Y459-Y498 AromaticContact CD2-CE2 3.95Å; Y459-Y498 HydrophobicContact CD2-CE2 3.95Å; Y459-Y498 AromaticContact CE2-CD2 3.91Å; Y459-Y498 HydrophobicContact CE2-CD2 3.91Å; Y459-Y498 AromaticContact CG-CD2 3.78Å; Y459-Y498 HydrophobicContact CG-CD2 3.78Å; Y459-Y498 AromaticContact CG-CE2 3.84Å; Y459-Y498 HydrophobicContact CG-CE2 3.84Å; Y459-L499 HydrophobicContact CD2-CD2 4.04Å; Y459-L502 HydrophobicContact CD2-CD2 4.03Å; Y459-L502 HydrophobicContact CE2-CB 4.08Å; Y459-L502 HydrophobicContact CE2-CD1 4.33Å; Y459-L502 HydrophobicContact CE2-CD2 3.83Å; Y459-L502 HydrophobicContact CE2-CG 4.31Å |
| 460 | T | 90.9 | Very high | 84.9 | Confident | 82 Ų | 82 | 44 Ų | 44 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -71.2 | -43.1 | -171.7 | -53.7 | 0 | 0 | 0 | 0 | 112 | S456 D457 S464 | S456-T460 WeakPolarHBondContact O-CB 3.39Å; S456-T460 PolarHBondContact O-N 2.88Å; S456-T460 PolarHBondContact O-OG1 3.47Å; D457-T460 PolarHBondContact O-N 3.21Å; T460-S464 PolarHBondContact O-OG 3.27Å; T460-S464 VanDerWaalsContact O-OG 3.13Å |
| 461 | H | 88.4 | Confident | 85.8 | Confident | 88 Ų | 88 | 46.3 Ų | 46.3 | 41% | 0.407 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -95 | -18.7 | -171.1 | -67.1 | -68.3 | 0 | 0 | 0 | 114.5 | L389 D457 | L389-H461 HydrophobicContact CB-CB 4.35Å; L389-H461 HydrophobicContact CD1-CB 4.02Å; L389-H461 HydrophobicContact CD2-CB 4.29Å; L389-H461 HydrophobicContact CG-CB 4.45Å; D457-H461 WeakPolarHBondContact O-CB 3.32Å; D457-H461 PolarHBondContact O-CD2 3.3Å; D457-H461 PolarHBondContact O-N 2.87Å |
| 462 | V | 90.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -128.5 | -60.3 | -173.2 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | L389 C392 L396 M458 F466 | L389-V462 HydrophobicContact CB-CG2 4.36Å; L389-V462 HydrophobicContact CD2-CG2 3.98Å; L389-V462 WeakPolarHBondContact O-CG2 3.21Å; C392-V462 HydrophobicContact CB-CG1 4.08Å; C392-V462 HydrophobicContact CB-CG2 3.94Å; L396-V462 HydrophobicContact CD1-CG1 3.56Å; M458-V462 HydrophobicContact CE-CB 3.4Å; M458-V462 VanDerWaalsContact CE-CB 3.4Å; M458-V462 HydrophobicContact CE-CG1 3.31Å; M458-V462 HydrophobicContact CE-CG2 3.95Å; M458-V462 WeakPolarHBondContact O-CB 3.28Å; M458-V462 PolarHBondContact O-N 3.3Å; M458-V462 HydrophobicContact SD-CB 3.89Å; M458-V462 HydrophobicContact SD-CG1 4.36Å; M458-V462 HydrophobicContact SD-CG2 3.89Å; V462-F466 WeakPolarHBondContact O-CB 3.42Å; V462-F466 PolarHBondContact O-N 3.39Å |
| 463 | L | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -70.9 | -44.8 | -168.9 | -60.4 | 177.3 | 0 | 0 | 0 | 113.2 | M458 F466 T467 V480 L481 Y484 L499 L502 | M458-L463 HydrophobicContact CE-CD2 3.74Å; M458-L463 HydrophobicContact CE-CG 3.91Å; M458-L463 HydrophobicContact CG-CD1 4.06Å; M458-L463 HydrophobicContact CG-CG 4.1Å; M458-L463 PolarHBondContact O-N 2.99Å; L463-F466 PolarHBondContact O-N 3.15Å; L463-T467 WeakPolarHBondContact O-CG2 3.21Å; L463-T467 PolarHBondContact O-N 3.26Å; L463-T467 PolarHBondContact O-OG1 3.01Å; L463-V480 HydrophobicContact CD2-CG1 4.49Å; L463-L481 HydrophobicContact CB-CD2 4.19Å; L463-L481 HydrophobicContact CD1-CD2 4.17Å; L463-L481 HydrophobicContact CD2-CD2 4.06Å; L463-L481 HydrophobicContact CG-CD2 4.36Å; L463-Y484 HydrophobicContact CD1-CD1 3.73Å; L463-Y484 HydrophobicContact CD1-CE1 4.09Å; L463-Y484 HydrophobicContact CD1-CG 4.32Å; L463-L499 HydrophobicContact CD1-CD2 3.87Å; L463-L502 HydrophobicContact CB-CD2 3.94Å |
| 464 | S | 88.6 | Confident | 86.3 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -53.8 | 178.6 | 55 | 0 | 0 | 0 | 0 | 111.4 | Y459 T460 F466 T467 E468 | Y459-S464 VanDerWaalsContact O-CB 3.25Å; Y459-S464 WeakPolarHBondContact O-CB 3.22Å; Y459-S464 PolarHBondContact O-N 3.02Å; Y459-S464 PolarHBondContact O-OG 3.17Å; T460-S464 PolarHBondContact O-OG 3.27Å; T460-S464 VanDerWaalsContact O-OG 3.13Å; S464-F466 PolarHBondContact O-N 2.8Å; S464-T467 PolarHBondContact O-N 3.45Å; S464-T467 VanDerWaalsContact O-N 3.12Å; S464-T467 PolarHBondContact O-OG1 3.28Å; S464-E468 PolarHBondContact O-N 3.37Å |
| 465 | A | 86.9 | Confident | 86.1 | Confident | 40 Ų | 40 | 60.2 Ų | 60.2 | 33% | 0.331 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -27.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R469 | A465-R469 WeakPolarHBondContact O-CG 3.45Å; A465-R469 PolarHBondContact O-NE 2.81Å |
| 466 | F | 86 | Confident | 85.8 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.9 | -39 | 175.5 | 176.4 | -116 | 0 | 0 | 0 | 112.7 | L396 V462 L463 S464 E468 R469 V472 F476 I477 V480 | L396-F466 HydrophobicContact CB-CD2 3.73Å; L396-F466 HydrophobicContact CB-CE2 3.69Å; L396-F466 HydrophobicContact CB-CG 4.37Å; L396-F466 HydrophobicContact CB-CZ 4.28Å; L396-F466 HydrophobicContact CD1-CB 4.34Å; L396-F466 HydrophobicContact CD1-CD1 4.14Å; L396-F466 HydrophobicContact CD1-CD2 4.21Å; L396-F466 HydrophobicContact CD1-CE1 4.46Å; L396-F466 HydrophobicContact CD1-CG 3.99Å; L396-F466 HydrophobicContact CD2-CE1 4.45Å; L396-F466 HydrophobicContact CD2-CE2 4.49Å; L396-F466 HydrophobicContact CD2-CZ 4.23Å; L396-F466 HydrophobicContact CG-CD2 4.49Å; L396-F466 HydrophobicContact CG-CE2 4.45Å; V462-F466 WeakPolarHBondContact O-CB 3.42Å; V462-F466 PolarHBondContact O-N 3.39Å; L463-F466 PolarHBondContact O-N 3.15Å; S464-F466 PolarHBondContact O-N 2.8Å; F466-E468 VanDerWaalsContact C-N 3.32Å; F466-E468 PolarHBondContact O-N 3.24Å; F466-R469 PolarHBondContact O-N 3.33Å; F466-V472 HydrophobicContact CE2-CB 4.45Å; F466-V472 HydrophobicContact CE2-CG1 4.07Å; F466-V472 HydrophobicContact CE2-CG2 4.03Å; F466-V472 HydrophobicContact CZ-CG1 3.97Å; F466-F476 AromaticContact CZ-CD1 3.91Å; F466-F476 HydrophobicContact CZ-CD1 3.91Å; F466-F476 AromaticContact CZ-CE1 3.94Å; F466-F476 HydrophobicContact CZ-CE1 3.94Å; F466-I477 HydrophobicContact CD1-CG2 4.4Å; F466-I477 HydrophobicContact CE1-CB 4.22Å; F466-I477 HydrophobicContact CE1-CG1 4Å; F466-I477 HydrophobicContact CE1-CG2 4.21Å; F466-I477 HydrophobicContact CZ-CG1 4.11Å; F466-V480 HydrophobicContact CE1-CB 4.07Å; F466-V480 HydrophobicContact CE1-CG1 4.12Å; F466-V480 HydrophobicContact CE1-CG2 4.23Å; F466-V480 HydrophobicContact CZ-CG2 4.42Å |
| 467 | T | 84.3 | Confident | 85.6 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.6 | -25.7 | -179.3 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | L463 S464 R469 I477 L481 L502 | L463-T467 WeakPolarHBondContact O-CG2 3.21Å; L463-T467 PolarHBondContact O-N 3.26Å; L463-T467 PolarHBondContact O-OG1 3.01Å; S464-T467 PolarHBondContact O-N 3.45Å; S464-T467 VanDerWaalsContact O-N 3.12Å; S464-T467 PolarHBondContact O-OG1 3.28Å; T467-R469 PolarHBondContact O-N 2.81Å; T467-I477 HydrophobicContact CG2-CG2 3.72Å; T467-L481 HydrophobicContact CG2-CD1 3.97Å; T467-L481 HydrophobicContact CG2-CD2 4.34Å; T467-L502 HydrophobicContact CG2-CD1 4.08Å; T467-L502 HydrophobicContact CG2-CD2 3.97Å; T467-L502 HydrophobicContact CG2-CG 3.97Å |
| 468 | E | 83.9 | Confident | 85.5 | Confident | 159 Ų | 159 | 59.8 Ų | 59.8 | 74% | 0.743 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.9 | 180 | -68.7 | -179.3 | 175.9 | 0 | 0 | 113.4 | S464 F466 | S464-E468 PolarHBondContact O-N 3.37Å; F466-E468 VanDerWaalsContact C-N 3.32Å; F466-E468 PolarHBondContact O-N 3.24Å |
| 469 | R | 78.6 | Confident | 85.4 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | trans | -84.8 | 140.8 | -173.2 | -44.6 | -169.9 | -168.3 | -170.2 | 12.5 | 112.5 | S393 D397 A465 F466 T467 D471 | S393-R469 PolarHBondContact OG-NH2 3.1Å; D397-R469 VanDerWaalsContact CG-CZ 3.49Å; D397-R469 VanDerWaalsContact CG-NH2 3.31Å; D397-R469 IonicContact OD1-CZ 3.45Å; D397-R469 IonicContact OD1-NE 2.77Å; D397-R469 IonicContact OD1-NH1 3.58Å; D397-R469 PolarHBondContact OD1-NH1 3.43Å; D397-R469 IonicContact OD1-NH2 3.58Å; D397-R469 PolarHBondContact OD1-NH2 2.93Å; D397-R469 IonicContact OD2-CZ 3.5Å; D397-R469 VanDerWaalsContact OD2-CZ 3.32Å; D397-R469 IonicContact OD2-NH1 2.74Å; D397-R469 PolarHBondContact OD2-NH1 3.33Å; D397-R469 IonicContact OD2-NH2 2.72Å; D397-R469 PolarHBondContact OD2-NH2 2.71Å; A465-R469 WeakPolarHBondContact O-CG 3.45Å; A465-R469 PolarHBondContact O-NE 2.81Å; F466-R469 PolarHBondContact O-N 3.33Å; T467-R469 PolarHBondContact O-N 2.81Å; R469-D471 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 470 | K | 71.6 | Confident | 85.3 | Confident | 204 Ų | 204 | 58.5 Ų | 58.5 | 89% | 0.887 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -96.2 | -9.2 | -175.1 | -62.6 | -175.9 | 179.6 | 179.9 | 0 | 114 | ||
| 471 | D | 74.7 | Confident | 85.4 | Confident | 117 Ų | 117 | 54.8 Ų | 54.8 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -85.4 | -12 | -176.4 | 60.6 | -32.6 | 0 | 0 | 0 | 113.5 | R469 | R469-D471 WeakPolarHBondContact CB-OD1 3.48Š|
| 472 | V | 79.1 | Confident | 85.5 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -106.4 | 140.6 | -177.2 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | F466 H474 F476 I477 | F466-V472 HydrophobicContact CE2-CB 4.45Å; F466-V472 HydrophobicContact CE2-CG1 4.07Å; F466-V472 HydrophobicContact CE2-CG2 4.03Å; F466-V472 HydrophobicContact CZ-CG1 3.97Å; V472-H474 PolarHBondContact O-N 3.28Å; V472-F476 HydrophobicContact CG1-CB 4.31Å; V472-F476 HydrophobicContact CG1-CD1 3.63Å; V472-F476 HydrophobicContact CG1-CG 4.44Å; V472-I477 HydrophobicContact CB-CD1 4.32Å; V472-I477 HydrophobicContact CB-CG1 4.24Å; V472-I477 HydrophobicContact CG1-CG1 3.9Å |
| 473 | S | 84.3 | Confident | 85.6 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | trans | -61.6 | 127.3 | 175.1 | 176.4 | 0 | 0 | 0 | 0 | 111 | K475 F476 I477 | S473-K475 PolarHBondContact O-N 2.93Å; S473-K475 VanDerWaalsContact O-N 3.1Å; S473-K475 PolarHBondContact OG-N 2.79Å; S473-F476 WeakPolarHBondContact O-CA 3.25Å; S473-F476 WeakPolarHBondContact O-CB 3.27Å; S473-F476 PolarHBondContact O-N 2.86Å; S473-I477 PolarHBondContact O-N 2.93Å; S473-I477 VanDerWaalsContact O-N 3.09Å | ||
| 474 | H | 83.6 | Confident | 85.8 | Confident | 80 Ų | 80 | 54 Ų | 54 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56 | -30.7 | 178.3 | -51 | -62.9 | 0 | 0 | 0 | 113.1 | V472 F476 I477 I478 N510 | V472-H474 PolarHBondContact O-N 3.28Å; H474-F476 VanDerWaalsContact C-N 3.32Å; H474-F476 PolarHBondContact O-N 2.9Å; H474-I477 PolarHBondContact O-N 3.07Å; H474-I478 WeakPolarHBondContact O-CD1 3.3Å; H474-I478 VanDerWaalsContact O-CG1 3.29Å; H474-I478 WeakPolarHBondContact O-CG1 3.29Å; H474-I478 PolarHBondContact O-N 2.81Å; H474-N510 HydrophobicContact CB-CB 4.33Å; H474-N510 PolarHBondContact CD2-OD1 3.21Å; H474-N510 PolarHBondContact CE1-OD1 2.8Å; H474-N510 PolarHBondContact ND1-ND2 3.33Å; H474-N510 PolarHBondContact ND1-OD1 2.64Å; H474-N510 PolarHBondContact NE2-OD1 2.97Å |
| 475 | K | 85.2 | Confident | 86 | Confident | 167 Ų | 167 | 53 Ų | 53 | 73% | 0.726 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.2 | -38.2 | 173.5 | -69.1 | -173.9 | 179.2 | -179.2 | 0 | 112.2 | S473 A479 | S473-K475 PolarHBondContact O-N 2.93Å; S473-K475 VanDerWaalsContact O-N 3.1Å; S473-K475 PolarHBondContact OG-N 2.79Å; K475-A479 WeakPolarHBondContact O-CB 3.36Å; K475-A479 PolarHBondContact O-N 3.31Å |
| 476 | F | 87.3 | Confident | 86.4 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.6 | -39.9 | 177 | -176.1 | -107.5 | 0 | 0 | 0 | 111.3 | F466 V472 S473 H474 I478 A479 V480 | F466-F476 AromaticContact CZ-CD1 3.91Å; F466-F476 HydrophobicContact CZ-CD1 3.91Å; F466-F476 AromaticContact CZ-CE1 3.94Å; F466-F476 HydrophobicContact CZ-CE1 3.94Å; V472-F476 HydrophobicContact CG1-CB 4.31Å; V472-F476 HydrophobicContact CG1-CD1 3.63Å; V472-F476 HydrophobicContact CG1-CG 4.44Å; S473-F476 WeakPolarHBondContact O-CA 3.25Å; S473-F476 WeakPolarHBondContact O-CB 3.27Å; S473-F476 PolarHBondContact O-N 2.86Å; H474-F476 VanDerWaalsContact C-N 3.32Å; H474-F476 PolarHBondContact O-N 2.9Å; F476-I478 VanDerWaalsContact C-N 3.33Å; F476-I478 PolarHBondContact O-N 2.85Å; F476-A479 WeakPolarHBondContact O-CB 3.24Å; F476-A479 PolarHBondContact O-N 3.38Å; F476-V480 HydrophobicContact CD1-CG2 4.18Å; F476-V480 HydrophobicContact CE1-CG2 3.81Å; F476-V480 HydrophobicContact CE2-CG2 4.14Å; F476-V480 HydrophobicContact CZ-CG2 3.79Å; F476-V480 WeakPolarHBondContact O-CG2 3.43Å; F476-V480 PolarHBondContact O-N 3.44Å |
| 477 | I | 88 | Confident | 86.8 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.3 | -49.5 | 174.5 | -60.8 | 175.6 | 0 | 0 | 0 | 110.4 | F466 T467 V472 S473 H474 A479 V480 L481 T506 | F466-I477 HydrophobicContact CD1-CG2 4.4Å; F466-I477 HydrophobicContact CE1-CB 4.22Å; F466-I477 HydrophobicContact CE1-CG1 4Å; F466-I477 HydrophobicContact CE1-CG2 4.21Å; F466-I477 HydrophobicContact CZ-CG1 4.11Å; T467-I477 HydrophobicContact CG2-CG2 3.72Å; V472-I477 HydrophobicContact CB-CD1 4.32Å; V472-I477 HydrophobicContact CB-CG1 4.24Å; V472-I477 HydrophobicContact CG1-CG1 3.9Å; S473-I477 PolarHBondContact O-N 2.93Å; S473-I477 VanDerWaalsContact O-N 3.09Å; H474-I477 PolarHBondContact O-N 3.07Å; I477-A479 PolarHBondContact O-N 2.83Å; I477-V480 PolarHBondContact O-N 2.77Å; I477-L481 HydrophobicContact CG2-CD1 4.28Å; I477-L481 WeakPolarHBondContact O-CG 3.23Å; I477-L481 PolarHBondContact O-N 2.82Å; I477-T506 HydrophobicContact CG2-CG2 3.96Å |
| 478 | I | 88.4 | Confident | 87.3 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 177.8 | -64.2 | 158.8 | 0 | 0 | 0 | 110.8 | H474 F476 V480 L481 M482 T506 L507 L512 M515 F519 | H474-I478 WeakPolarHBondContact O-CD1 3.3Å; H474-I478 VanDerWaalsContact O-CG1 3.29Å; H474-I478 WeakPolarHBondContact O-CG1 3.29Å; H474-I478 PolarHBondContact O-N 2.81Å; F476-I478 VanDerWaalsContact C-N 3.33Å; F476-I478 PolarHBondContact O-N 2.85Å; I478-V480 VanDerWaalsContact C-N 3.34Å; I478-V480 PolarHBondContact O-N 2.96Å; I478-L481 PolarHBondContact O-N 3.23Å; I478-M482 HydrophobicContact CG2-CG 4.11Å; I478-M482 WeakPolarHBondContact O-CB 3.35Å; I478-M482 VanDerWaalsContact O-CG 3.26Å; I478-M482 WeakPolarHBondContact O-CG 3.36Å; I478-M482 PolarHBondContact O-N 3.3Å; I478-T506 HydrophobicContact CG1-CG2 4.24Å; I478-L507 HydrophobicContact CD1-CD2 3.54Å; I478-L507 HydrophobicContact CD1-CG 4.46Å; I478-L507 HydrophobicContact CG1-CD2 4.2Å; I478-L512 HydrophobicContact CD1-CD1 3.42Å; I478-L512 VanDerWaalsContact CD1-CD1 3.42Å; I478-M515 HydrophobicContact CD1-CE 4.32Å; I478-M515 HydrophobicContact CG2-CE 3.86Å; I478-F519 HydrophobicContact CG2-CE2 4.38Å |
| 479 | A | 89.6 | Confident | 87.7 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L404 K475 F476 I477 M482 E483 | L404-A479 HydrophobicContact CD1-CB 4.23Å; L404-A479 HydrophobicContact CD2-CB 4.22Å; K475-A479 WeakPolarHBondContact O-CB 3.36Å; K475-A479 PolarHBondContact O-N 3.31Å; F476-A479 WeakPolarHBondContact O-CB 3.24Å; F476-A479 PolarHBondContact O-N 3.38Å; I477-A479 PolarHBondContact O-N 2.83Å; A479-M482 PolarHBondContact O-N 3.05Å; A479-E483 VanDerWaalsContact O-CB 3.28Å; A479-E483 WeakPolarHBondContact O-CB 3.38Å; A479-E483 PolarHBondContact O-N 3.3Å |
| 480 | V | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 178 | 171 | 0 | 0 | 0 | 0 | 111.8 | L396 L404 V407 F411 L463 F466 F476 I477 I478 M482 E483 Y484 | L396-V480 HydrophobicContact CD1-CG1 4.34Å; L396-V480 HydrophobicContact CD2-CB 4.47Å; L396-V480 HydrophobicContact CD2-CG1 3.74Å; L396-V480 HydrophobicContact CD2-CG2 3.88Å; L404-V480 HydrophobicContact CD1-CG2 4.39Å; V407-V480 HydrophobicContact CG1-CG1 4.37Å; F411-V480 HydrophobicContact CE2-CG1 4.02Å; F411-V480 HydrophobicContact CZ-CG1 4.06Å; L463-V480 HydrophobicContact CD2-CG1 4.49Å; F466-V480 HydrophobicContact CE1-CB 4.07Å; F466-V480 HydrophobicContact CE1-CG1 4.12Å; F466-V480 HydrophobicContact CE1-CG2 4.23Å; F466-V480 HydrophobicContact CZ-CG2 4.42Å; F476-V480 HydrophobicContact CD1-CG2 4.18Å; F476-V480 HydrophobicContact CE1-CG2 3.81Å; F476-V480 HydrophobicContact CE2-CG2 4.14Å; F476-V480 HydrophobicContact CZ-CG2 3.79Å; F476-V480 WeakPolarHBondContact O-CG2 3.43Å; F476-V480 PolarHBondContact O-N 3.44Å; I477-V480 PolarHBondContact O-N 2.77Å; I478-V480 VanDerWaalsContact C-N 3.34Å; I478-V480 PolarHBondContact O-N 2.96Å; V480-M482 VanDerWaalsContact C-N 3.33Å; V480-M482 PolarHBondContact O-N 3.41Å; V480-E483 WeakPolarHBondContact O-CB 3.26Å; V480-E483 PolarHBondContact O-N 3.48Å; V480-Y484 PolarHBondContact O-N 3.17Å |
| 481 | L | 92.3 | Very high | 89.3 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.1 | -68.6 | 174.9 | 0 | 0 | 0 | 111.4 | L463 T467 I477 I478 E483 Y484 I485 L502 V503 | L463-L481 HydrophobicContact CB-CD2 4.19Å; L463-L481 HydrophobicContact CD1-CD2 4.17Å; L463-L481 HydrophobicContact CD2-CD2 4.06Å; L463-L481 HydrophobicContact CG-CD2 4.36Å; T467-L481 HydrophobicContact CG2-CD1 3.97Å; T467-L481 HydrophobicContact CG2-CD2 4.34Å; I477-L481 HydrophobicContact CG2-CD1 4.28Å; I477-L481 WeakPolarHBondContact O-CG 3.23Å; I477-L481 PolarHBondContact O-N 2.82Å; I478-L481 PolarHBondContact O-N 3.23Å; L481-E483 VanDerWaalsContact C-N 3.32Å; L481-Y484 PolarHBondContact O-N 2.8Å; L481-I485 WeakPolarHBondContact O-CG1 3.45Å; L481-I485 PolarHBondContact O-N 3Å; L481-L502 HydrophobicContact CD1-CG 4.42Å; L481-L502 HydrophobicContact CD2-CD2 3.79Å; L481-L502 HydrophobicContact CD2-CG 4.43Å; L481-V503 HydrophobicContact CB-CG2 3.87Å; L481-V503 HydrophobicContact CD1-CG2 3.97Å; L481-V503 HydrophobicContact CG-CG2 4.49Å |
| 482 | M | 91.4 | Very high | 90.1 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 19% | 0.192 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.5 | -35.8 | 176.9 | -70.3 | -49.7 | -53.7 | 0 | 0 | 112 | I478 A479 V480 I485 R486 V503 F519 V524 | I478-M482 HydrophobicContact CG2-CG 4.11Å; I478-M482 WeakPolarHBondContact O-CB 3.35Å; I478-M482 VanDerWaalsContact O-CG 3.26Å; I478-M482 WeakPolarHBondContact O-CG 3.36Å; I478-M482 PolarHBondContact O-N 3.3Å; A479-M482 PolarHBondContact O-N 3.05Å; V480-M482 VanDerWaalsContact C-N 3.33Å; V480-M482 PolarHBondContact O-N 3.41Å; M482-I485 PolarHBondContact O-N 3.46Å; M482-I485 HydrophobicContact SD-CD1 4.26Å; M482-R486 VanDerWaalsContact O-CB 3.25Å; M482-R486 WeakPolarHBondContact O-CB 3.48Å; M482-R486 PolarHBondContact O-N 3.31Å; M482-V503 HydrophobicContact SD-CG1 4.43Å; M482-F519 HydrophobicContact CG-CE2 4.17Å; M482-F519 HydrophobicContact CG-CZ 4.16Å; M482-F519 HydrophobicContact SD-CD2 4.39Å; M482-F519 HydrophobicContact SD-CE2 3.72Å; M482-F519 HydrophobicContact SD-CZ 4.12Å; M482-V524 HydrophobicContact CE-CG1 3.38Å |
| 483 | E | 92.4 | Very high | 90.7 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 175.9 | -162.5 | 61.3 | -149.7 | 0 | 0 | 111.5 | L404 A408 F411 A479 V480 L481 R486 S487 | L404-E483 HydrophobicContact CD1-CB 4.28Å; L404-E483 HydrophobicContact CD1-CG 4.32Å; A408-E483 HydrophobicContact CB-CG 3.77Å; A408-E483 WeakPolarHBondContact CB-OE1 3.32Å; F411-E483 HydrophobicContact CD2-CB 4.44Å; F411-E483 HydrophobicContact CD2-CG 4.42Å; A479-E483 VanDerWaalsContact O-CB 3.28Å; A479-E483 WeakPolarHBondContact O-CB 3.38Å; A479-E483 PolarHBondContact O-N 3.3Å; V480-E483 WeakPolarHBondContact O-CB 3.26Å; V480-E483 PolarHBondContact O-N 3.48Å; L481-E483 VanDerWaalsContact C-N 3.32Å; E483-R486 WeakPolarHBondContact O-CB 3.42Å; E483-R486 PolarHBondContact O-N 2.85Å; E483-R486 IonicContact OE1-CZ 3.34Å; E483-R486 IonicContact OE1-NE 3.89Å; E483-R486 PolarHBondContact OE1-NE 2.77Å; E483-R486 IonicContact OE1-NH2 3.9Å; E483-R486 PolarHBondContact OE1-NH2 3.07Å; E483-R486 IonicContact OE2-NE 3.62Å; E483-S487 WeakPolarHBondContact O-CB 3.31Å; E483-S487 PolarHBondContact O-N 2.89Å |
| 484 | Y | 94.4 | Very high | 91 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 174.5 | -174.4 | -116.6 | 0 | 0 | 0 | 112 | F411 M458 L463 V480 L481 R486 S487 L488 L499 | F411-Y484 HydrophobicContact CB-CD2 4.26Å; F411-Y484 HydrophobicContact CD1-CD2 4.07Å; F411-Y484 AromaticContact CD2-CD2 3.98Å; F411-Y484 HydrophobicContact CD2-CD2 3.98Å; F411-Y484 HydrophobicContact CD2-CG 4.4Å; F411-Y484 HydrophobicContact CE1-CD2 4.39Å; F411-Y484 HydrophobicContact CE2-CD2 4.29Å; F411-Y484 HydrophobicContact CE2-CG 4.43Å; F411-Y484 AromaticContact CG-CD2 3.86Å; F411-Y484 HydrophobicContact CG-CD2 3.86Å; F411-Y484 HydrophobicContact CZ-CD2 4.48Å; M458-Y484 HydrophobicContact CB-CE1 4.47Å; M458-Y484 HydrophobicContact CB-CE2 4.49Å; M458-Y484 HydrophobicContact CG-CD2 4.42Å; M458-Y484 HydrophobicContact CG-CE1 4.16Å; M458-Y484 HydrophobicContact CG-CE2 3.88Å; L463-Y484 HydrophobicContact CD1-CD1 3.73Å; L463-Y484 HydrophobicContact CD1-CE1 4.09Å; L463-Y484 HydrophobicContact CD1-CG 4.32Å; V480-Y484 PolarHBondContact O-N 3.17Å; L481-Y484 PolarHBondContact O-N 2.8Å; Y484-R486 PolarHBondContact O-N 2.94Å; Y484-S487 WeakPolarHBondContact O-CB 3.47Å; Y484-S487 PolarHBondContact O-N 3.48Å; Y484-L488 HydrophobicContact CD1-CD1 3.99Å; Y484-L488 HydrophobicContact CE1-CD1 3.63Å; Y484-L488 HydrophobicContact CE1-CG 4.31Å; Y484-L488 WeakPolarHBondContact O-CG 3.31Å; Y484-L488 PolarHBondContact O-N 2.81Å; Y484-L499 HydrophobicContact CD1-CD1 4.22Å; Y484-L499 HydrophobicContact CD1-CD2 4.35Å; Y484-L499 HydrophobicContact CE1-CD1 3.79Å; Y484-L499 HydrophobicContact CE1-CD2 4.15Å |
| 485 | I | 93.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.5 | -69.6 | 166.5 | 0 | 0 | 0 | 110.9 | L481 M482 S487 L488 N489 V495 Y500 V503 | L481-I485 WeakPolarHBondContact O-CG1 3.45Å; L481-I485 PolarHBondContact O-N 3Å; M482-I485 PolarHBondContact O-N 3.46Å; M482-I485 HydrophobicContact SD-CD1 4.26Å; I485-S487 VanDerWaalsContact C-N 3.31Å; I485-S487 PolarHBondContact O-N 2.62Å; I485-L488 PolarHBondContact O-N 3.02Å; I485-N489 WeakPolarHBondContact O-CB 3.48Å; I485-N489 PolarHBondContact O-N 2.84Å; I485-N489 PolarHBondContact O-ND2 3.3Å; I485-V495 HydrophobicContact CG1-CG1 4.35Å; I485-V495 HydrophobicContact CG2-CG2 4.34Å; I485-Y500 HydrophobicContact CD1-CD1 3.92Å; I485-Y500 HydrophobicContact CD1-CE1 3.95Å; I485-Y500 HydrophobicContact CG1-CE1 4.4Å; I485-Y500 HydrophobicContact CG2-CE1 4.02Å; I485-V503 HydrophobicContact CD1-CG2 3.81Å |
| 486 | R | 94.3 | Very high | 91.8 | Very high | 84 Ų | 84 | 41 Ų | 41 | 32% | 0.317 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 175.1 | -175.9 | -157.6 | 64.2 | 65.2 | -1.2 | 110.6 | D412 M482 E483 Y484 N489 Q490 | D412-R486 IonicContact OD1-CZ 2.74Å; D412-R486 IonicContact OD1-NH1 3.48Å; D412-R486 IonicContact OD1-NH2 3.36Å; D412-R486 PolarHBondContact OD1-NH2 3.37Å; D412-R486 VanDerWaalsContact OD1-NH2 3.15Å; D412-R486 IonicContact OD2-CZ 2.73Å; D412-R486 IonicContact OD2-NH1 2.68Å; D412-R486 IonicContact OD2-NH2 3.94Å; D412-R486 PolarHBondContact OD2-NH2 3.48Å; M482-R486 VanDerWaalsContact O-CB 3.25Å; M482-R486 WeakPolarHBondContact O-CB 3.48Å; M482-R486 PolarHBondContact O-N 3.31Å; E483-R486 WeakPolarHBondContact O-CB 3.42Å; E483-R486 PolarHBondContact O-N 2.85Å; E483-R486 IonicContact OE1-CZ 3.34Å; E483-R486 IonicContact OE1-NE 3.89Å; E483-R486 PolarHBondContact OE1-NE 2.77Å; E483-R486 IonicContact OE1-NH2 3.9Å; E483-R486 PolarHBondContact OE1-NH2 3.07Å; E483-R486 IonicContact OE2-NE 3.62Å; Y484-R486 PolarHBondContact O-N 2.94Å; R486-N489 PolarHBondContact O-N 3.37Å; R486-Q490 WeakPolarHBondContact O-CB 3.3Å; R486-Q490 PolarHBondContact O-N 3.34Å |
| 487 | S | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 113 | F411 D412 N415 E483 Y484 I485 Q490 N491 | F411-S487 PolarHBondContact O-OG 3.11Å; D412-S487 VanDerWaalsContact CA-OG 3.25Å; D412-S487 WeakPolarHBondContact CA-OG 3.4Å; D412-S487 PolarHBondContact N-OG 2.94Å; D412-S487 WeakPolarHBondContact OD1-CA 3.35Å; D412-S487 WeakPolarHBondContact OD1-CB 3.49Å; D412-S487 PolarHBondContact OD1-OG 2.82Å; N415-S487 VanDerWaalsContact ND2-CB 3.34Å; N415-S487 WeakPolarHBondContact ND2-CB 3.35Å; N415-S487 PolarHBondContact ND2-OG 3.47Å; E483-S487 WeakPolarHBondContact O-CB 3.31Å; E483-S487 PolarHBondContact O-N 2.89Å; Y484-S487 WeakPolarHBondContact O-CB 3.47Å; Y484-S487 PolarHBondContact O-N 3.48Å; I485-S487 VanDerWaalsContact C-N 3.31Å; I485-S487 PolarHBondContact O-N 2.62Å; S487-Q490 PolarHBondContact O-N 3.02Å; S487-N491 PolarHBondContact O-N 2.89Å; S487-N491 VanDerWaalsContact O-N 3.13Å; S487-N491 PolarHBondContact O-ND2 2.73Å |
| 488 | L | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 173.8 | -72.5 | 170.3 | 0 | 0 | 0 | 111.6 | N415 Q455 Y484 I485 N491 Q492 I493 V495 L499 | N415-L488 WeakPolarHBondContact OD1-CD2 3.46Å; Q455-L488 HydrophobicContact CG-CD1 4.03Å; Q455-L488 HydrophobicContact CG-CD2 3.9Å; Y484-L488 HydrophobicContact CD1-CD1 3.99Å; Y484-L488 HydrophobicContact CE1-CD1 3.63Å; Y484-L488 HydrophobicContact CE1-CG 4.31Å; Y484-L488 WeakPolarHBondContact O-CG 3.31Å; Y484-L488 PolarHBondContact O-N 2.81Å; I485-L488 PolarHBondContact O-N 3.02Å; L488-N491 CarbonylContact O-C 3.57Å; L488-N491 PolarHBondContact O-N 3.28Å; L488-Q492 PolarHBondContact O-N 3.26Å; L488-I493 HydrophobicContact CB-CB 4.47Å; L488-I493 HydrophobicContact CD2-CB 4.04Å; L488-I493 HydrophobicContact CD2-CD1 4.12Å; L488-I493 HydrophobicContact CD2-CG2 3.94Å; L488-I493 PolarHBondContact O-N 3.42Å; L488-V495 HydrophobicContact CB-CG2 3.95Å; L488-V495 HydrophobicContact CD1-CG1 4.32Å; L488-V495 HydrophobicContact CD1-CG2 4.09Å; L488-L499 HydrophobicContact CD1-CD1 3.79Å |
| 489 | N | 92.7 | Very high | 92.2 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 178.5 | -74.5 | -26.7 | 0 | 0 | 0 | 112 | I485 R486 N491 Q492 | I485-N489 WeakPolarHBondContact O-CB 3.48Å; I485-N489 PolarHBondContact O-N 2.84Å; I485-N489 PolarHBondContact O-ND2 3.3Å; R486-N489 PolarHBondContact O-N 3.37Å; N489-N491 VanDerWaalsContact C-N 3.29Å; N489-N491 PolarHBondContact O-N 2.91Å; N489-Q492 PolarHBondContact O-N 3.43Å |
| 490 | Q | 93.1 | Very high | 92.3 | Very high | 120 Ų | 120 | 43 Ų | 43 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.4 | -39.7 | 176.4 | -178.9 | 177.1 | -8 | 0 | 0 | 111.8 | R486 S487 Q492 | R486-Q490 WeakPolarHBondContact O-CB 3.3Å; R486-Q490 PolarHBondContact O-N 3.34Å; S487-Q490 PolarHBondContact O-N 3.02Å; Q490-Q492 PolarHBondContact O-N 3.01Å |
| 491 | N | 91.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 7.6 | 176.5 | -72.1 | -69.2 | 0 | 0 | 0 | 113.5 | N415 K419 S487 L488 N489 I493 | N415-N491 HydrophobicContact CB-CB 4.4Å; N415-N491 WeakPolarHBondContact CB-ND2 3.42Å; K419-N491 HydrophobicContact CB-CB 4.38Å; K419-N491 VanDerWaalsContact CD-O 3.24Å; K419-N491 WeakPolarHBondContact CD-O 3.33Å; K419-N491 VanDerWaalsContact CE-O 3.28Å; K419-N491 WeakPolarHBondContact CE-O 3.37Å; S487-N491 PolarHBondContact O-N 2.89Å; S487-N491 VanDerWaalsContact O-N 3.13Å; S487-N491 PolarHBondContact O-ND2 2.73Å; L488-N491 CarbonylContact O-C 3.57Å; L488-N491 PolarHBondContact O-N 3.28Å; N489-N491 VanDerWaalsContact C-N 3.29Å; N489-N491 PolarHBondContact O-N 2.91Å; N491-I493 VanDerWaalsContact C-N 3.28Å; N491-I493 HydrophobicContact CB-CD1 4.05Å; N491-I493 HydrophobicContact CB-CG1 4.06Å; N491-I493 PolarHBondContact O-N 2.86Å |
| 492 | Q | 91.8 | Very high | 92.2 | Very high | 156 Ų | 156 | 46 Ų | 46 | 73% | 0.729 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 44.2 | -178.7 | -53 | 174.6 | 16.2 | 0 | 0 | 112.4 | K419 L488 N489 Q490 | K419-Q492 PolarHBondContact NZ-O 3.39Å; K419-Q492 VanDerWaalsContact NZ-O 3.07Å; L488-Q492 PolarHBondContact O-N 3.26Å; N489-Q492 PolarHBondContact O-N 3.43Å; Q490-Q492 PolarHBondContact O-N 3.01Å |
| 493 | I | 92.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -103.8 | 127.6 | 174.4 | -56.5 | 177.9 | 0 | 0 | 0 | 107.8 | N415 Y418 K419 L422 L488 N491 V495 | N415-I493 HydrophobicContact CB-CD1 4.23Å; N415-I493 WeakPolarHBondContact O-CD1 3.48Å; Y418-I493 HydrophobicContact CD1-CD1 3.7Å; Y418-I493 HydrophobicContact CD1-CG2 4.39Å; Y418-I493 HydrophobicContact CE1-CD1 4.36Å; Y418-I493 HydrophobicContact CE1-CG2 4.02Å; Y418-I493 HydrophobicContact CG-CD1 4.32Å; K419-I493 HydrophobicContact CB-CD1 4.13Å; K419-I493 HydrophobicContact CB-CG1 4.36Å; K419-I493 HydrophobicContact CD-CG1 4.18Å; L422-I493 HydrophobicContact CD1-CG1 4.41Å; L422-I493 HydrophobicContact CD1-CG2 4.21Å; L488-I493 HydrophobicContact CB-CB 4.47Å; L488-I493 HydrophobicContact CD2-CB 4.04Å; L488-I493 HydrophobicContact CD2-CD1 4.12Å; L488-I493 HydrophobicContact CD2-CG2 3.94Å; L488-I493 PolarHBondContact O-N 3.42Å; N491-I493 VanDerWaalsContact C-N 3.28Å; N491-I493 HydrophobicContact CB-CD1 4.05Å; N491-I493 HydrophobicContact CB-CG1 4.06Å; N491-I493 PolarHBondContact O-N 2.86Å; I493-V495 PolarHBondContact O-N 3.15Å |
| 494 | T | 90.3 | Very high | 92 | Very high | 114 Ų | 114 | 42.7 Ų | 42.7 | 70% | 0.699 | 21% | 0.208 | S | C | * | . | P | Polyproline II helix | trans | -64.5 | 119.7 | 176.2 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | Q455 | Q455-T494 PolarHBondContact NE2-O 3.21Š|
| 495 | V | 92.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 13% | 0.127 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 129.3 | 179.4 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | I485 L488 I493 L499 Y500 | I485-V495 HydrophobicContact CG1-CG1 4.35Å; I485-V495 HydrophobicContact CG2-CG2 4.34Å; L488-V495 HydrophobicContact CB-CG2 3.95Å; L488-V495 HydrophobicContact CD1-CG1 4.32Å; L488-V495 HydrophobicContact CD1-CG2 4.09Å; I493-V495 PolarHBondContact O-N 3.15Å; V495-L499 HydrophobicContact CG1-CB 4.12Å; V495-L499 HydrophobicContact CG1-CD1 3.87Å; V495-Y500 HydrophobicContact CB-CE1 4.38Å; V495-Y500 HydrophobicContact CB-CE2 3.95Å; V495-Y500 WeakPolarHBondContact CB-OH 3.36Å; V495-Y500 HydrophobicContact CG1-CD1 4.35Å; V495-Y500 HydrophobicContact CG1-CD2 4.42Å; V495-Y500 HydrophobicContact CG1-CE1 3.82Å; V495-Y500 HydrophobicContact CG1-CE2 3.84Å |
| 496 | Q | 92.1 | Very high | 91.5 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -75.1 | 141 | 177.7 | -64 | -62.5 | -28.9 | 0 | 0 | 111.3 | Q455 Y498 L499 | Q455-Q496 HydrophobicContact CB-CG 4.42Å; Q496-Y498 HydrophobicContact CB-CD1 3.73Å; Q496-Y498 HydrophobicContact CB-CE1 3.22Å; Q496-Y498 HydrophobicContact CB-CE2 4.27Å; Q496-Y498 HydrophobicContact CB-CG 4.44Å; Q496-Y498 HydrophobicContact CG-CE1 3.78Å; Q496-Y498 PolarHBondContact O-N 3.19Å; Q496-Y498 VanDerWaalsContact O-N 3.14Å; Q496-L499 WeakPolarHBondContact O-CB 3.39Å; Q496-L499 PolarHBondContact O-N 2.95Å |
| 497 | H | 89.7 | Confident | 91.3 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.366 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.3 | -31.2 | -172 | 60.6 | -86.8 | 0 | 0 | 0 | 114.2 | L499 Y500 E501 | H497-L499 PolarHBondContact O-N 3.27Å; H497-Y500 PolarHBondContact O-N 3.06Å; H497-Y500 VanDerWaalsContact O-N 3.14Å; H497-E501 PolarHBondContact O-N 3.26Å |
| 498 | Y | 90.8 | Very high | 91 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -23.3 | 179.2 | 60.2 | -104.8 | 0 | 0 | 0 | 113.3 | Q455 S456 Y459 Q496 L502 | Q455-Y498 WeakPolarHBondContact CB-OH 3.43Å; Q455-Y498 PolarHBondContact O-OH 3.01Å; Q455-Y498 VanDerWaalsContact O-OH 3.1Å; S456-Y498 WeakPolarHBondContact CA-OH 3.32Å; S456-Y498 PolarHBondContact N-OH 2.78Å; S456-Y498 VanDerWaalsContact N-OH 3.09Å; Y459-Y498 HydrophobicContact CD1-CD2 4.36Å; Y459-Y498 AromaticContact CD2-CD2 3.55Å; Y459-Y498 HydrophobicContact CD2-CD2 3.55Å; Y459-Y498 AromaticContact CD2-CE2 3.95Å; Y459-Y498 HydrophobicContact CD2-CE2 3.95Å; Y459-Y498 AromaticContact CE2-CD2 3.91Å; Y459-Y498 HydrophobicContact CE2-CD2 3.91Å; Y459-Y498 AromaticContact CG-CD2 3.78Å; Y459-Y498 HydrophobicContact CG-CD2 3.78Å; Y459-Y498 AromaticContact CG-CE2 3.84Å; Y459-Y498 HydrophobicContact CG-CE2 3.84Å; Q496-Y498 HydrophobicContact CB-CD1 3.73Å; Q496-Y498 HydrophobicContact CB-CE1 3.22Å; Q496-Y498 HydrophobicContact CB-CE2 4.27Å; Q496-Y498 HydrophobicContact CB-CG 4.44Å; Q496-Y498 HydrophobicContact CG-CE1 3.78Å; Q496-Y498 PolarHBondContact O-N 3.19Å; Q496-Y498 VanDerWaalsContact O-N 3.14Å; Y498-L502 PolarHBondContact O-N 3.44Å; Y498-L502 VanDerWaalsContact O-N 3.08Å |
| 499 | L | 92.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.3 | -40.8 | 173.4 | -67.2 | 171.6 | 0 | 0 | 0 | 110.8 | Q455 Y459 L463 Y484 L488 V495 Q496 H497 L502 V503 | Q455-L499 HydrophobicContact CB-CD1 4.27Å; Q455-L499 HydrophobicContact CG-CD1 4.29Å; Q455-L499 VanDerWaalsContact OE1-CD1 3.23Å; Y459-L499 HydrophobicContact CD2-CD2 4.04Å; L463-L499 HydrophobicContact CD1-CD2 3.87Å; Y484-L499 HydrophobicContact CD1-CD1 4.22Å; Y484-L499 HydrophobicContact CD1-CD2 4.35Å; Y484-L499 HydrophobicContact CE1-CD1 3.79Å; Y484-L499 HydrophobicContact CE1-CD2 4.15Å; L488-L499 HydrophobicContact CD1-CD1 3.79Å; V495-L499 HydrophobicContact CG1-CB 4.12Å; V495-L499 HydrophobicContact CG1-CD1 3.87Å; Q496-L499 WeakPolarHBondContact O-CB 3.39Å; Q496-L499 PolarHBondContact O-N 2.95Å; H497-L499 PolarHBondContact O-N 3.27Å; L499-L502 WeakPolarHBondContact O-CB 3.37Å; L499-L502 PolarHBondContact O-N 3.25Å; L499-V503 PolarHBondContact O-N 2.7Å; L499-V503 VanDerWaalsContact O-N 3.16Å |
| 500 | Y | 91.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -39.6 | 174.1 | -62.2 | -44.5 | 0 | 0 | 0 | 111.7 | I485 V495 H497 L502 V503 I504 L525 S526 | I485-Y500 HydrophobicContact CD1-CD1 3.92Å; I485-Y500 HydrophobicContact CD1-CE1 3.95Å; I485-Y500 HydrophobicContact CG1-CE1 4.4Å; I485-Y500 HydrophobicContact CG2-CE1 4.02Å; V495-Y500 HydrophobicContact CB-CE1 4.38Å; V495-Y500 HydrophobicContact CB-CE2 3.95Å; V495-Y500 WeakPolarHBondContact CB-OH 3.36Å; V495-Y500 HydrophobicContact CG1-CD1 4.35Å; V495-Y500 HydrophobicContact CG1-CD2 4.42Å; V495-Y500 HydrophobicContact CG1-CE1 3.82Å; V495-Y500 HydrophobicContact CG1-CE2 3.84Å; H497-Y500 PolarHBondContact O-N 3.06Å; H497-Y500 VanDerWaalsContact O-N 3.14Å; Y500-L502 VanDerWaalsContact C-N 3.27Å; Y500-L502 PolarHBondContact O-N 2.69Å; Y500-V503 PolarHBondContact O-N 3.13Å; Y500-I504 WeakPolarHBondContact O-CG1 3.42Å; Y500-I504 PolarHBondContact O-N 2.61Å; Y500-L525 HydrophobicContact CD1-CB 4.11Å; Y500-L525 HydrophobicContact CD1-CD2 3.33Å; Y500-L525 HydrophobicContact CD1-CG 4.28Å; Y500-L525 HydrophobicContact CE1-CB 4.34Å; Y500-L525 HydrophobicContact CE1-CD2 3.83Å; Y500-L525 HydrophobicContact CG-CB 4.29Å; Y500-L525 HydrophobicContact CG-CD2 4.1Å; Y500-S526 PolarHBondContact OH-OG 3.37Å; Y500-S526 VanDerWaalsContact OH-OG 3.1Å |
| 501 | E | 90.7 | Very high | 90 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.2 | -42 | 172 | 171.4 | 173.5 | 177.6 | 0 | 0 | 111.8 | H497 I504 K505 L534 | H497-E501 PolarHBondContact O-N 3.26Å; E501-I504 PolarHBondContact O-N 3.14Å; E501-K505 HydrophobicContact CG-CD 3.95Å; E501-K505 HydrophobicContact CG-CG 4.4Å; E501-K505 WeakPolarHBondContact O-CB 3.2Å; E501-K505 WeakPolarHBondContact O-CG 3.5Å; E501-K505 PolarHBondContact O-N 2.74Å; E501-K505 WeakPolarHBondContact OE1-CE 3.46Å; E501-K505 IonicContact OE1-NZ 2.72Å; E501-K505 PolarHBondContact OE1-NZ 3.19Å; E501-L534 HydrophobicContact CB-CD2 4.01Å; E501-L534 HydrophobicContact CG-CD2 3.74Å |
| 502 | L | 90.3 | Very high | 89.8 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.5 | -169.2 | 62 | 0 | 0 | 0 | 112.4 | Y459 L463 T467 L481 Y498 L499 Y500 T506 | Y459-L502 HydrophobicContact CD2-CD2 4.03Å; Y459-L502 HydrophobicContact CE2-CB 4.08Å; Y459-L502 HydrophobicContact CE2-CD1 4.33Å; Y459-L502 HydrophobicContact CE2-CD2 3.83Å; Y459-L502 HydrophobicContact CE2-CG 4.31Å; L463-L502 HydrophobicContact CB-CD2 3.94Å; T467-L502 HydrophobicContact CG2-CD1 4.08Å; T467-L502 HydrophobicContact CG2-CD2 3.97Å; T467-L502 HydrophobicContact CG2-CG 3.97Å; L481-L502 HydrophobicContact CD1-CG 4.42Å; L481-L502 HydrophobicContact CD2-CD2 3.79Å; L481-L502 HydrophobicContact CD2-CG 4.43Å; Y498-L502 PolarHBondContact O-N 3.44Å; Y498-L502 VanDerWaalsContact O-N 3.08Å; L499-L502 WeakPolarHBondContact O-CB 3.37Å; L499-L502 PolarHBondContact O-N 3.25Å; Y500-L502 VanDerWaalsContact C-N 3.27Å; Y500-L502 PolarHBondContact O-N 2.69Å; L502-T506 WeakPolarHBondContact O-CB 3.47Å; L502-T506 PolarHBondContact O-N 2.85Å; L502-T506 PolarHBondContact O-OG1 3.4Å |
| 503 | V | 91.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | L481 M482 I485 L499 Y500 T506 L507 F519 L525 | L481-V503 HydrophobicContact CB-CG2 3.87Å; L481-V503 HydrophobicContact CD1-CG2 3.97Å; L481-V503 HydrophobicContact CG-CG2 4.49Å; M482-V503 HydrophobicContact SD-CG1 4.43Å; I485-V503 HydrophobicContact CD1-CG2 3.81Å; L499-V503 PolarHBondContact O-N 2.7Å; L499-V503 VanDerWaalsContact O-N 3.16Å; Y500-V503 PolarHBondContact O-N 3.13Å; V503-T506 PolarHBondContact O-N 3.46Å; V503-L507 HydrophobicContact CG1-CD1 3.88Å; V503-L507 HydrophobicContact CG1-CG 4.45Å; V503-L507 WeakPolarHBondContact O-CG 3.48Å; V503-L507 PolarHBondContact O-N 2.93Å; V503-F519 HydrophobicContact CG1-CD2 4.28Å; V503-F519 HydrophobicContact CG1-CE2 4.27Å; V503-L525 HydrophobicContact CG1-CD2 4.46Å |
| 504 | I | 89.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -48 | 179.4 | -66 | -173 | 0 | 0 | 0 | 110.8 | Y500 E501 T506 L507 V508 L516 L525 L531 L534 L535 L538 | Y500-I504 WeakPolarHBondContact O-CG1 3.42Å; Y500-I504 PolarHBondContact O-N 2.61Å; E501-I504 PolarHBondContact O-N 3.14Å; I504-T506 VanDerWaalsContact C-N 3.29Å; I504-T506 PolarHBondContact O-N 3.22Å; I504-L507 PolarHBondContact O-N 2.68Å; I504-L507 VanDerWaalsContact O-N 3.15Å; I504-V508 HydrophobicContact CG2-CG2 4.14Å; I504-V508 VanDerWaalsContact O-CG2 3.29Å; I504-V508 WeakPolarHBondContact O-CG2 3.39Å; I504-V508 PolarHBondContact O-N 2.81Å; I504-L516 HydrophobicContact CB-CD1 4.33Å; I504-L516 HydrophobicContact CD1-CD1 4.26Å; I504-L516 HydrophobicContact CG1-CD1 3.81Å; I504-L516 HydrophobicContact CG2-CD1 4.09Å; I504-L525 HydrophobicContact CD1-CD1 4Å; I504-L525 HydrophobicContact CG1-CD1 3.89Å; I504-L531 HydrophobicContact CD1-CD1 3.36Å; I504-L531 HydrophobicContact CD1-CD2 4.3Å; I504-L531 HydrophobicContact CD1-CG 3.86Å; I504-L531 HydrophobicContact CG1-CD1 4.34Å; I504-L534 HydrophobicContact CB-CD2 4.22Å; I504-L534 HydrophobicContact CD1-CD2 4.45Å; I504-L534 HydrophobicContact CG2-CD2 4.1Å; I504-L535 HydrophobicContact CD1-CD2 4.1Å; I504-L538 HydrophobicContact CG2-CD1 3.62Å |
| 505 | K | 89.1 | Confident | 89.3 | Confident | 89 Ų | 89 | 48.7 Ų | 48.7 | 39% | 0.387 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.5 | -44.6 | 177.1 | -78.3 | 176.6 | 169.2 | 172.8 | 0 | 111.3 | E501 L507 V508 Q509 | E501-K505 HydrophobicContact CG-CD 3.95Å; E501-K505 HydrophobicContact CG-CG 4.4Å; E501-K505 WeakPolarHBondContact O-CB 3.2Å; E501-K505 WeakPolarHBondContact O-CG 3.5Å; E501-K505 PolarHBondContact O-N 2.74Å; E501-K505 WeakPolarHBondContact OE1-CE 3.46Å; E501-K505 IonicContact OE1-NZ 2.72Å; E501-K505 PolarHBondContact OE1-NZ 3.19Å; K505-L507 PolarHBondContact O-N 2.84Å; K505-V508 PolarHBondContact O-N 2.93Å; K505-Q509 WeakPolarHBondContact O-CB 3.25Å; K505-Q509 WeakPolarHBondContact O-CG 3.3Å; K505-Q509 PolarHBondContact O-N 3.34Å |
| 506 | T | 88.3 | Confident | 89.2 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 177.4 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | I477 I478 L502 V503 I504 N510 | I477-T506 HydrophobicContact CG2-CG2 3.96Å; I478-T506 HydrophobicContact CG1-CG2 4.24Å; L502-T506 WeakPolarHBondContact O-CB 3.47Å; L502-T506 PolarHBondContact O-N 2.85Å; L502-T506 PolarHBondContact O-OG1 3.4Å; V503-T506 PolarHBondContact O-N 3.46Å; I504-T506 VanDerWaalsContact C-N 3.29Å; I504-T506 PolarHBondContact O-N 3.22Å; T506-N510 PolarHBondContact O-N 3.23Å; T506-N510 PolarHBondContact O-ND2 3.28Å |
| 507 | L | 89 | Confident | 89 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 178.2 | -73.2 | 168.5 | 0 | 0 | 0 | 112.4 | I478 V503 I504 K505 N510 N511 L512 M515 L516 F519 | I478-L507 HydrophobicContact CD1-CD2 3.54Å; I478-L507 HydrophobicContact CD1-CG 4.46Å; I478-L507 HydrophobicContact CG1-CD2 4.2Å; V503-L507 HydrophobicContact CG1-CD1 3.88Å; V503-L507 HydrophobicContact CG1-CG 4.45Å; V503-L507 WeakPolarHBondContact O-CG 3.48Å; V503-L507 PolarHBondContact O-N 2.93Å; I504-L507 PolarHBondContact O-N 2.68Å; I504-L507 VanDerWaalsContact O-N 3.15Å; K505-L507 PolarHBondContact O-N 2.84Å; L507-N510 PolarHBondContact O-N 3.48Å; L507-N511 PolarHBondContact O-N 2.89Å; L507-L512 HydrophobicContact CD2-CB 3.76Å; L507-L512 HydrophobicContact CD2-CD1 4.16Å; L507-L512 PolarHBondContact O-N 3.19Å; L507-M515 HydrophobicContact CD2-CB 4.02Å; L507-M515 HydrophobicContact CD2-CE 4.12Å; L507-L516 HydrophobicContact CB-CB 4.44Å; L507-L516 HydrophobicContact CD1-CB 4.15Å; L507-L516 HydrophobicContact CD1-CD1 4.11Å; L507-F519 HydrophobicContact CD1-CD2 3.92Å; L507-F519 HydrophobicContact CD1-CE2 4.18Å |
| 508 | V | 88.9 | Confident | 89 | Confident | 22 Ų | 22 | 46 Ų | 46 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -47.1 | 179.5 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | I504 K505 N510 N511 F513 L516 L538 | I504-V508 HydrophobicContact CG2-CG2 4.14Å; I504-V508 VanDerWaalsContact O-CG2 3.29Å; I504-V508 WeakPolarHBondContact O-CG2 3.39Å; I504-V508 PolarHBondContact O-N 2.81Å; K505-V508 PolarHBondContact O-N 2.93Å; V508-N510 PolarHBondContact O-N 3.42Å; V508-N510 VanDerWaalsContact O-N 3.16Å; V508-N511 PolarHBondContact O-N 3.22Å; V508-F513 HydrophobicContact CG1-CE1 4.38Å; V508-F513 HydrophobicContact CG2-CE1 4.42Å; V508-L516 HydrophobicContact CG2-CD2 4.06Å; V508-L538 HydrophobicContact CG1-CD2 4.02Å; V508-L538 HydrophobicContact CG2-CD1 3.87Å; V508-L538 HydrophobicContact CG2-CD2 4.17Å |
| 509 | Q | 86.7 | Confident | 88.9 | Confident | 137 Ų | 137 | 45.3 Ų | 45.3 | 64% | 0.64 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -57.6 | -30.7 | 178.1 | -75.8 | 172.9 | -5.6 | 0 | 0 | 112.7 | K505 | K505-Q509 WeakPolarHBondContact O-CB 3.25Å; K505-Q509 WeakPolarHBondContact O-CG 3.3Å; K505-Q509 PolarHBondContact O-N 3.34Å |
| 510 | N | 85.4 | Confident | 88.7 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 9.7 | -179.3 | -66.5 | -60 | 0 | 0 | 0 | 114.1 | H474 T506 L507 V508 L512 | H474-N510 HydrophobicContact CB-CB 4.33Å; H474-N510 PolarHBondContact CD2-OD1 3.21Å; H474-N510 PolarHBondContact CE1-OD1 2.8Å; H474-N510 PolarHBondContact ND1-ND2 3.33Å; H474-N510 PolarHBondContact ND1-OD1 2.64Å; H474-N510 PolarHBondContact NE2-OD1 2.97Å; T506-N510 PolarHBondContact O-N 3.23Å; T506-N510 PolarHBondContact O-ND2 3.28Å; L507-N510 PolarHBondContact O-N 3.48Å; V508-N510 PolarHBondContact O-N 3.42Å; V508-N510 VanDerWaalsContact O-N 3.16Å; N510-L512 HydrophobicContact CB-CD1 4.16Å; N510-L512 HydrophobicContact CB-CG 4.23Å; N510-L512 PolarHBondContact O-N 2.84Å |
| 511 | N | 86.6 | Confident | 88.5 | Confident | 116 Ų | 116 | 50.3 Ų | 50.3 | 62% | 0.62 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 28.7 | -179.3 | -59.9 | -59.9 | 0 | 0 | 0 | 114.8 | L507 V508 F513 | L507-N511 PolarHBondContact O-N 2.89Å; V508-N511 PolarHBondContact O-N 3.22Å; N511-F513 HydrophobicContact CB-CD2 4.42Å; N511-F513 HydrophobicContact CB-CE2 3.94Å; N511-F513 PolarHBondContact O-N 2.83Å; N511-F513 VanDerWaalsContact O-N 3.11Å |
| 512 | L | 88.1 | Confident | 88.2 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | trans | -88.5 | 51.8 | -179.7 | -66 | 171.8 | 0 | 0 | 0 | 111.9 | I478 L507 N510 Y514 M515 L516 | I478-L512 HydrophobicContact CD1-CD1 3.42Å; I478-L512 VanDerWaalsContact CD1-CD1 3.42Å; L507-L512 HydrophobicContact CD2-CB 3.76Å; L507-L512 HydrophobicContact CD2-CD1 4.16Å; L507-L512 PolarHBondContact O-N 3.19Å; N510-L512 HydrophobicContact CB-CD1 4.16Å; N510-L512 HydrophobicContact CB-CG 4.23Å; N510-L512 PolarHBondContact O-N 2.84Å; L512-Y514 VanDerWaalsContact C-N 3.3Å; L512-Y514 PolarHBondContact O-N 3.35Å; L512-M515 HydrophobicContact CD1-SD 4.43Å; L512-M515 PolarHBondContact O-N 2.87Å; L512-L516 PolarHBondContact O-N 3.32Å | ||
| 513 | F | 88.3 | Confident | 88 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 18% | 0.184 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -30.4 | -173.8 | -61.6 | -68.3 | 0 | 0 | 0 | 114.1 | V508 N511 L516 H517 T541 Y542 | V508-F513 HydrophobicContact CG1-CE1 4.38Å; V508-F513 HydrophobicContact CG2-CE1 4.42Å; N511-F513 HydrophobicContact CB-CD2 4.42Å; N511-F513 HydrophobicContact CB-CE2 3.94Å; N511-F513 PolarHBondContact O-N 2.83Å; N511-F513 VanDerWaalsContact O-N 3.11Å; F513-L516 PolarHBondContact O-N 2.94Å; F513-H517 PolarHBondContact O-N 3.41Å; F513-T541 HydrophobicContact CE1-CG2 4.44Å; F513-T541 HydrophobicContact CZ-CG2 4.01Å; F513-Y542 HydrophobicContact CB-CD2 3.83Å; F513-Y542 HydrophobicContact CB-CE2 3.7Å; F513-Y542 HydrophobicContact CD1-CD1 4.43Å; F513-Y542 AromaticContact CD1-CD2 3.54Å; F513-Y542 HydrophobicContact CD1-CD2 3.54Å; F513-Y542 HydrophobicContact CD1-CE2 4.25Å; F513-Y542 AromaticContact CD1-CG 3.67Å; F513-Y542 HydrophobicContact CD1-CG 3.67Å; F513-Y542 HydrophobicContact CE1-CD2 4.31Å; F513-Y542 HydrophobicContact CE1-CG 4.22Å; F513-Y542 AromaticContact CG-CD2 3.79Å; F513-Y542 HydrophobicContact CG-CD2 3.79Å; F513-Y542 HydrophobicContact CG-CE2 4.2Å; F513-Y542 HydrophobicContact CG-CG 4.39Å |
| 514 | Y | 88.3 | Confident | 87.7 | Confident | 171 Ų | 171 | 62.1 Ų | 62.1 | 67% | 0.671 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.5 | -46 | 175.9 | 178.2 | -99.1 | 0 | 0 | 0 | 111.8 | L512 H517 Q518 | L512-Y514 VanDerWaalsContact C-N 3.3Å; L512-Y514 PolarHBondContact O-N 3.35Å; Y514-H517 PolarHBondContact O-N 2.86Å; Y514-Q518 VanDerWaalsContact CE1-CD 3.41Å; Y514-Q518 HydrophobicContact CE1-CG 4.18Å; Y514-Q518 WeakPolarHBondContact O-CG 3.41Å; Y514-Q518 PolarHBondContact O-N 3.14Å; Y514-Q518 PolarHBondContact OH-NE2 3.48Å |
| 515 | M | 87.2 | Confident | 87.5 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 28% | 0.276 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 176.2 | -75.4 | -178.1 | 55.4 | 0 | 0 | 111.7 | I478 L507 L512 H517 Q518 F519 | I478-M515 HydrophobicContact CD1-CE 4.32Å; I478-M515 HydrophobicContact CG2-CE 3.86Å; L507-M515 HydrophobicContact CD2-CB 4.02Å; L507-M515 HydrophobicContact CD2-CE 4.12Å; L512-M515 HydrophobicContact CD1-SD 4.43Å; L512-M515 PolarHBondContact O-N 2.87Å; M515-H517 VanDerWaalsContact C-N 3.31Å; M515-H517 PolarHBondContact O-N 2.82Å; M515-Q518 PolarHBondContact O-N 2.69Å; M515-F519 HydrophobicContact CE-CE1 4.5Å; M515-F519 HydrophobicContact CE-CE2 4.37Å; M515-F519 HydrophobicContact CE-CZ 3.87Å; M515-F519 WeakPolarHBondContact O-CG 3.27Å; M515-F519 PolarHBondContact O-N 3.24Å |
| 516 | L | 88.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 174.7 | 178.4 | 63.5 | 0 | 0 | 0 | 111.3 | I504 L507 V508 L512 F513 Q518 F519 L520 Y542 | I504-L516 HydrophobicContact CB-CD1 4.33Å; I504-L516 HydrophobicContact CD1-CD1 4.26Å; I504-L516 HydrophobicContact CG1-CD1 3.81Å; I504-L516 HydrophobicContact CG2-CD1 4.09Å; L507-L516 HydrophobicContact CB-CB 4.44Å; L507-L516 HydrophobicContact CD1-CB 4.15Å; L507-L516 HydrophobicContact CD1-CD1 4.11Å; V508-L516 HydrophobicContact CG2-CD2 4.06Å; L512-L516 PolarHBondContact O-N 3.32Å; F513-L516 PolarHBondContact O-N 2.94Å; L516-Q518 PolarHBondContact O-N 2.97Å; L516-F519 PolarHBondContact O-N 2.89Å; L516-L520 HydrophobicContact CD1-CD1 3.93Å; L516-L520 HydrophobicContact CD1-CG 4.37Å; L516-L520 HydrophobicContact CG-CD1 4.01Å; L516-L520 WeakPolarHBondContact O-CG 3.32Å; L516-L520 PolarHBondContact O-N 2.93Å; L516-L520 VanDerWaalsContact O-N 3.13Å; L516-Y542 HydrophobicContact CD2-CD1 4.2Å; L516-Y542 HydrophobicContact CD2-CE1 4.46Å |
| 517 | H | 89 | Confident | 87.3 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 27% | 0.269 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 177.1 | -161.3 | 98.9 | 0 | 0 | 0 | 111.4 | F513 Y514 M515 F519 L520 Q521 Y542 | F513-H517 PolarHBondContact O-N 3.41Å; Y514-H517 PolarHBondContact O-N 2.86Å; M515-H517 VanDerWaalsContact C-N 3.31Å; M515-H517 PolarHBondContact O-N 2.82Å; H517-F519 PolarHBondContact O-N 3.23Å; H517-L520 PolarHBondContact O-N 2.89Å; H517-Q521 PolarHBondContact CD2-OE1 2.86Å; H517-Q521 VanDerWaalsContact O-CB 3.23Å; H517-Q521 WeakPolarHBondContact O-CB 3.19Å; H517-Q521 PolarHBondContact O-N 3.2Å; H517-Y542 WeakPolarHBondContact CB-OH 3.41Å; H517-Y542 AromaticContact ND1-CZ 3.98Å; H517-Y542 PolarHBondContact ND1-OH 2.84Å |
| 518 | Q | 89.1 | Confident | 87.2 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 178.4 | -71.9 | -171.6 | -29.6 | 0 | 0 | 112.4 | Y514 M515 L516 L520 Q521 Y522 | Y514-Q518 VanDerWaalsContact CE1-CD 3.41Å; Y514-Q518 HydrophobicContact CE1-CG 4.18Å; Y514-Q518 WeakPolarHBondContact O-CG 3.41Å; Y514-Q518 PolarHBondContact O-N 3.14Å; Y514-Q518 PolarHBondContact OH-NE2 3.48Å; M515-Q518 PolarHBondContact O-N 2.69Å; L516-Q518 PolarHBondContact O-N 2.97Å; Q518-L520 VanDerWaalsContact C-N 3.28Å; Q518-L520 PolarHBondContact O-N 2.82Å; Q518-Q521 PolarHBondContact O-N 2.78Å; Q518-Y522 HydrophobicContact CB-CD2 4.15Å; Q518-Y522 HydrophobicContact CB-CE2 4.36Å; Q518-Y522 HydrophobicContact CG-CE2 4.35Å; Q518-Y522 WeakPolarHBondContact O-CB 3.37Å; Q518-Y522 VanDerWaalsContact O-CD2 3.24Å; Q518-Y522 WeakPolarHBondContact O-CD2 3.42Å; Q518-Y522 PolarHBondContact O-N 2.87Å |
| 519 | F | 89.3 | Confident | 87.2 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | -179.6 | -75.4 | 2.7 | 0 | 0 | 0 | 112.4 | I478 M482 V503 L507 M515 L516 H517 H523 V524 L525 | I478-F519 HydrophobicContact CG2-CE2 4.38Å; M482-F519 HydrophobicContact CG-CE2 4.17Å; M482-F519 HydrophobicContact CG-CZ 4.16Å; M482-F519 HydrophobicContact SD-CD2 4.39Å; M482-F519 HydrophobicContact SD-CE2 3.72Å; M482-F519 HydrophobicContact SD-CZ 4.12Å; V503-F519 HydrophobicContact CG1-CD2 4.28Å; V503-F519 HydrophobicContact CG1-CE2 4.27Å; L507-F519 HydrophobicContact CD1-CD2 3.92Å; L507-F519 HydrophobicContact CD1-CE2 4.18Å; M515-F519 HydrophobicContact CE-CE1 4.5Å; M515-F519 HydrophobicContact CE-CE2 4.37Å; M515-F519 HydrophobicContact CE-CZ 3.87Å; M515-F519 WeakPolarHBondContact O-CG 3.27Å; M515-F519 PolarHBondContact O-N 3.24Å; L516-F519 PolarHBondContact O-N 2.89Å; H517-F519 PolarHBondContact O-N 3.23Å; F519-H523 PolarHBondContact O-N 3.5Å; F519-V524 HydrophobicContact CB-CB 4.22Å; F519-V524 HydrophobicContact CD1-CB 4.37Å; F519-V524 HydrophobicContact CD1-CG1 4.4Å; F519-V524 HydrophobicContact CD1-CG2 4.25Å; F519-V524 HydrophobicContact CG-CB 4.37Å; F519-V524 HydrophobicContact CG-CG1 4.43Å; F519-V524 PolarHBondContact O-N 2.88Å; F519-L525 HydrophobicContact CB-CD1 4.36Å; F519-L525 HydrophobicContact CB-CG 4.27Å |
| 520 | L | 87.3 | Confident | 87.3 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76 | -41.6 | 176.8 | -67 | 168.1 | 0 | 0 | 0 | 112.1 | L516 H517 Q518 H523 L525 L535 L548 M552 | L516-L520 HydrophobicContact CD1-CD1 3.93Å; L516-L520 HydrophobicContact CD1-CG 4.37Å; L516-L520 HydrophobicContact CG-CD1 4.01Å; L516-L520 WeakPolarHBondContact O-CG 3.32Å; L516-L520 PolarHBondContact O-N 2.93Å; L516-L520 VanDerWaalsContact O-N 3.13Å; H517-L520 PolarHBondContact O-N 2.89Å; Q518-L520 VanDerWaalsContact C-N 3.28Å; Q518-L520 PolarHBondContact O-N 2.82Å; L520-H523 PolarHBondContact O-N 2.85Å; L520-L525 HydrophobicContact CD2-CD1 3.99Å; L520-L535 HydrophobicContact CD1-CD1 4.01Å; L520-L535 HydrophobicContact CD1-CD2 3.74Å; L520-L535 HydrophobicContact CD2-CD1 3.92Å; L520-L548 HydrophobicContact CB-CD1 4.38Å; L520-L548 HydrophobicContact CB-CD2 4.43Å; L520-L548 HydrophobicContact CD1-CB 4.41Å; L520-L548 HydrophobicContact CD1-CD1 3.79Å; L520-M552 HydrophobicContact CD2-CE 3.61Å |
| 521 | Q | 86.9 | Confident | 87.4 | Confident | 106 Ų | 106 | 60.8 Ų | 60.8 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | -178.9 | -175.7 | 178 | 4.6 | 0 | 0 | 112.4 | H517 Q518 H523 | H517-Q521 PolarHBondContact CD2-OE1 2.86Å; H517-Q521 VanDerWaalsContact O-CB 3.23Å; H517-Q521 WeakPolarHBondContact O-CB 3.19Å; H517-Q521 PolarHBondContact O-N 3.2Å; Q518-Q521 PolarHBondContact O-N 2.78Å; Q521-H523 VanDerWaalsContact C-N 3.3Å |
| 522 | Y | 86.2 | Confident | 87.4 | Confident | 158 Ų | 158 | 55.2 Ų | 55.2 | 62% | 0.62 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 10.9 | 178.9 | -66.3 | -65.9 | 0 | 0 | 0 | 113.5 | Q518 V524 | Q518-Y522 HydrophobicContact CB-CD2 4.15Å; Q518-Y522 HydrophobicContact CB-CE2 4.36Å; Q518-Y522 HydrophobicContact CG-CE2 4.35Å; Q518-Y522 WeakPolarHBondContact O-CB 3.37Å; Q518-Y522 VanDerWaalsContact O-CD2 3.24Å; Q518-Y522 WeakPolarHBondContact O-CD2 3.42Å; Q518-Y522 PolarHBondContact O-N 2.87Å; Y522-V524 PolarHBondContact O-N 2.97Å |
| 523 | H | 84.6 | Confident | 87.4 | Confident | 104 Ų | 104 | 56.2 Ų | 56.2 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 35.5 | 178.4 | -52 | -59.4 | 0 | 0 | 0 | 114.2 | F519 L520 Q521 L525 R555 | F519-H523 PolarHBondContact O-N 3.5Å; L520-H523 PolarHBondContact O-N 2.85Å; Q521-H523 VanDerWaalsContact C-N 3.3Å; H523-L525 VanDerWaalsContact C-N 3.26Å; H523-R555 PolarHBondContact CE1-NE 2.7Å; H523-R555 VanDerWaalsContact CE1-NE 3.33Å |
| 524 | V | 84.6 | Confident | 87.4 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | trans | -66.8 | -34.5 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | M482 F519 Y522 | M482-V524 HydrophobicContact CE-CG1 3.38Å; F519-V524 HydrophobicContact CB-CB 4.22Å; F519-V524 HydrophobicContact CD1-CB 4.37Å; F519-V524 HydrophobicContact CD1-CG1 4.4Å; F519-V524 HydrophobicContact CD1-CG2 4.25Å; F519-V524 HydrophobicContact CG-CB 4.37Å; F519-V524 HydrophobicContact CG-CG1 4.43Å; F519-V524 PolarHBondContact O-N 2.88Å; Y522-V524 PolarHBondContact O-N 2.97Å | ||
| 525 | L | 86.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -95.3 | 130.3 | 172.1 | -49.7 | 175.6 | 0 | 0 | 0 | 108.6 | Y500 V503 I504 F519 L520 H523 L531 | Y500-L525 HydrophobicContact CD1-CB 4.11Å; Y500-L525 HydrophobicContact CD1-CD2 3.33Å; Y500-L525 HydrophobicContact CD1-CG 4.28Å; Y500-L525 HydrophobicContact CE1-CB 4.34Å; Y500-L525 HydrophobicContact CE1-CD2 3.83Å; Y500-L525 HydrophobicContact CG-CB 4.29Å; Y500-L525 HydrophobicContact CG-CD2 4.1Å; V503-L525 HydrophobicContact CG1-CD2 4.46Å; I504-L525 HydrophobicContact CD1-CD1 4Å; I504-L525 HydrophobicContact CG1-CD1 3.89Å; F519-L525 HydrophobicContact CB-CD1 4.36Å; F519-L525 HydrophobicContact CB-CG 4.27Å; L520-L525 HydrophobicContact CD2-CD1 3.99Å; H523-L525 VanDerWaalsContact C-N 3.26Å; L525-L531 HydrophobicContact CB-CD2 4.19Å |
| 526 | S | 85.3 | Confident | 87.4 | Confident | 64 Ų | 64 | 46.3 Ų | 46.3 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 138.9 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | Y500 S528 | Y500-S526 PolarHBondContact OH-OG 3.37Å; Y500-S526 VanDerWaalsContact OH-OG 3.1Å; S526-S528 PolarHBondContact O-N 3.05Å |
| 527 | D | 86.6 | Confident | 87.4 | Confident | 41 Ų | 41 | 50 Ų | 50 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.5 | 178.6 | -63.5 | -28.8 | 0 | 0 | 0 | 110.4 | M552 R555 L556 | D527-M552 HydrophobicContact CB-CG 3.75Å; D527-M552 WeakPolarHBondContact OD1-CG 3Å; D527-R555 IonicContact OD1-CZ 3.78Å; D527-R555 IonicContact OD1-NE 3.58Å; D527-R555 IonicContact OD1-NH2 3.54Å; D527-R555 PolarHBondContact OD1-NH2 3.4Å; D527-R555 WeakPolarHBondContact OD2-CB 3.44Å; D527-R555 IonicContact OD2-CZ 3.15Å; D527-R555 IonicContact OD2-NE 2.8Å; D527-R555 PolarHBondContact OD2-NE 3.08Å; D527-R555 IonicContact OD2-NH2 3.73Å; D527-R555 PolarHBondContact OD2-NH2 2.67Å; D527-L556 HydrophobicContact CB-CD1 4.43Å; D527-L556 HydrophobicContact CB-CD2 3.77Å; D527-L556 HydrophobicContact CB-CG 3.93Å |
| 528 | S | 88.9 | Confident | 87.3 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | trans | -153.6 | 150.9 | 172.8 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | S526 L531 A532 | S526-S528 PolarHBondContact O-N 3.05Å; S528-L531 PolarHBondContact O-N 3.27Å; S528-L531 VanDerWaalsContact OG-CB 3.25Å; S528-L531 WeakPolarHBondContact OG-CB 3.39Å; S528-L531 PolarHBondContact OG-N 3.12Å; S528-A532 PolarHBondContact O-N 2.84Å; S528-A532 VanDerWaalsContact O-N 3.11Å | ||
| 529 | K | 87.6 | Confident | 87.1 | Confident | 72 Ų | 72 | 48 Ų | 48 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 178.5 | -60.3 | -175.3 | 175.1 | -162.5 | 0 | 112.5 | L531 A532 C533 L556 T558 A559 E562 | K529-L531 VanDerWaalsContact C-N 3.29Å; K529-L531 PolarHBondContact O-N 2.73Å; K529-A532 PolarHBondContact O-N 3.3Å; K529-C533 PolarHBondContact O-N 2.96Å; K529-C533 VanDerWaalsContact O-N 3.14Å; K529-C533 PolarHBondContact O-SG 3.02Å; K529-C533 VanDerWaalsContact O-SG 3.4Å; K529-L556 HydrophobicContact CG-CD1 4.14Å; K529-T558 WeakPolarHBondContact CE-O 3.45Å; K529-T558 PolarHBondContact NZ-O 3.49Å; K529-A559 HydrophobicContact CD-CB 4.46Å; K529-A559 HydrophobicContact CG-CB 4.27Å; K529-E562 WeakPolarHBondContact CD-OE1 2.97Å; K529-E562 WeakPolarHBondContact CE-OE1 3.17Å; K529-E562 IonicContact NZ-OE1 3.54Å; K529-E562 PolarHBondContact NZ-OE1 2.92Å; K529-E562 IonicContact NZ-OE2 3.81Å |
| 530 | P | 88.2 | Confident | 86.9 | Confident | 61 Ų | 61 | 51.8 Ų | 51.8 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 177.7 | -24 | 35.6 | 0 | 0 | 0 | 113.1 | C533 L534 | P530-C533 PolarHBondContact O-N 3.36Å; P530-L534 PolarHBondContact O-N 3.05Å |
| 531 | L | 88.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.5 | -38.5 | -179.2 | -161.7 | 67.6 | 0 | 0 | 0 | 112.1 | I504 L525 S528 K529 L534 L535 M552 | I504-L531 HydrophobicContact CD1-CD1 3.36Å; I504-L531 HydrophobicContact CD1-CD2 4.3Å; I504-L531 HydrophobicContact CD1-CG 3.86Å; I504-L531 HydrophobicContact CG1-CD1 4.34Å; L525-L531 HydrophobicContact CB-CD2 4.19Å; S528-L531 PolarHBondContact O-N 3.27Å; S528-L531 VanDerWaalsContact OG-CB 3.25Å; S528-L531 WeakPolarHBondContact OG-CB 3.39Å; S528-L531 PolarHBondContact OG-N 3.12Å; K529-L531 VanDerWaalsContact C-N 3.29Å; K529-L531 PolarHBondContact O-N 2.73Å; L531-L534 HydrophobicContact CD1-CD2 4.29Å; L531-L534 WeakPolarHBondContact O-CB 3.13Å; L531-L534 PolarHBondContact O-N 2.95Å; L531-L535 WeakPolarHBondContact O-CG 3.49Å; L531-L535 PolarHBondContact O-N 2.83Å; L531-M552 HydrophobicContact CB-SD 3.99Å; L531-M552 HydrophobicContact CD2-CE 3.84Å; L531-M552 HydrophobicContact CD2-SD 4.1Å; L531-M552 HydrophobicContact CG-CE 4.35Å; L531-M552 HydrophobicContact CG-SD 4.22Å |
| 532 | A | 87.1 | Confident | 87 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | S528 K529 L534 L535 L536 M552 L553 | S528-A532 PolarHBondContact O-N 2.84Å; S528-A532 VanDerWaalsContact O-N 3.11Å; K529-A532 PolarHBondContact O-N 3.3Å; A532-L534 VanDerWaalsContact C-N 3.32Å; A532-L534 PolarHBondContact O-N 2.76Å; A532-L535 PolarHBondContact O-N 3.01Å; A532-L536 WeakPolarHBondContact O-CG 2.94Å; A532-L536 PolarHBondContact O-N 2.8Å; A532-M552 HydrophobicContact CB-CG 4.35Å; A532-M552 HydrophobicContact CB-SD 4.08Å; A532-L553 HydrophobicContact CB-CD1 4.21Å; A532-L553 HydrophobicContact CB-CD2 3.55Å; A532-L553 HydrophobicContact CB-CG 3.58Å |
| 533 | C | 86.8 | Confident | 86.9 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 49% | 0.486 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 174 | -65.8 | 0 | 0 | 0 | 0 | 112 | K529 P530 L536 S537 | K529-C533 PolarHBondContact O-N 2.96Å; K529-C533 VanDerWaalsContact O-N 3.14Å; K529-C533 PolarHBondContact O-SG 3.02Å; K529-C533 VanDerWaalsContact O-SG 3.4Å; P530-C533 PolarHBondContact O-N 3.36Å; C533-L536 PolarHBondContact O-N 3.2Å; C533-S537 PolarHBondContact O-N 3.03Å; C533-S537 VanDerWaalsContact O-N 3.11Å |
| 534 | L | 88.2 | Confident | 87.1 | Confident | 27 Ų | 27 | 46 Ų | 46 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 173.7 | -179.9 | 68.1 | 0 | 0 | 0 | 111.4 | E501 I504 P530 L531 A532 L536 S537 L538 | E501-L534 HydrophobicContact CB-CD2 4.01Å; E501-L534 HydrophobicContact CG-CD2 3.74Å; I504-L534 HydrophobicContact CB-CD2 4.22Å; I504-L534 HydrophobicContact CD1-CD2 4.45Å; I504-L534 HydrophobicContact CG2-CD2 4.1Å; P530-L534 PolarHBondContact O-N 3.05Å; L531-L534 HydrophobicContact CD1-CD2 4.29Å; L531-L534 WeakPolarHBondContact O-CB 3.13Å; L531-L534 PolarHBondContact O-N 2.95Å; A532-L534 VanDerWaalsContact C-N 3.32Å; A532-L534 PolarHBondContact O-N 2.76Å; L534-L536 VanDerWaalsContact C-N 3.31Å; L534-L536 PolarHBondContact O-N 2.99Å; L534-S537 WeakPolarHBondContact O-CB 3.17Å; L534-S537 PolarHBondContact O-N 2.86Å; L534-S537 VanDerWaalsContact O-N 3.12Å; L534-S537 PolarHBondContact O-OG 3.36Å; L534-L538 HydrophobicContact CG-CD1 4.35Å; L534-L538 WeakPolarHBondContact O-CG 3.47Å; L534-L538 PolarHBondContact O-N 3.04Å |
| 535 | L | 88 | Confident | 87.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 177.5 | -70.9 | 172.2 | 0 | 0 | 0 | 112.5 | I504 L520 L531 A532 S537 L538 E539 A545 M552 | I504-L535 HydrophobicContact CD1-CD2 4.1Å; L520-L535 HydrophobicContact CD1-CD1 4.01Å; L520-L535 HydrophobicContact CD1-CD2 3.74Å; L520-L535 HydrophobicContact CD2-CD1 3.92Å; L531-L535 WeakPolarHBondContact O-CG 3.49Å; L531-L535 PolarHBondContact O-N 2.83Å; A532-L535 PolarHBondContact O-N 3.01Å; L535-S537 VanDerWaalsContact C-N 3.31Å; L535-S537 PolarHBondContact O-N 3.4Å; L535-L538 HydrophobicContact CD2-CD1 4.45Å; L535-L538 WeakPolarHBondContact O-CB 3.35Å; L535-L538 PolarHBondContact O-N 3.48Å; L535-E539 PolarHBondContact O-N 2.92Å; L535-A545 HydrophobicContact CB-CB 4.44Å; L535-A545 VanDerWaalsContact O-CB 3.24Å; L535-A545 WeakPolarHBondContact O-CB 3.4Å; L535-M552 HydrophobicContact CD1-CE 3.93Å; L535-M552 HydrophobicContact CD1-SD 4.35Å |
| 536 | L | 88.1 | Confident | 87.3 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 174.3 | -73 | 164.1 | 0 | 0 | 0 | 112.1 | A532 C533 L534 L538 E539 S549 V566 | A532-L536 WeakPolarHBondContact O-CG 2.94Å; A532-L536 PolarHBondContact O-N 2.8Å; C533-L536 PolarHBondContact O-N 3.2Å; L534-L536 VanDerWaalsContact C-N 3.31Å; L534-L536 PolarHBondContact O-N 2.99Å; L536-L538 PolarHBondContact O-N 3.19Å; L536-E539 WeakPolarHBondContact O-CB 3.33Å; L536-E539 PolarHBondContact O-N 2.84Å; L536-S549 WeakPolarHBondContact CD2-OG 3.44Å; L536-S549 VanDerWaalsContact CG-OG 3.29Å; L536-S549 WeakPolarHBondContact CG-OG 3.36Å; L536-V566 HydrophobicContact CD1-CB 4.44Å; L536-V566 HydrophobicContact CD1-CG1 4.13Å; L536-V566 HydrophobicContact CD1-CG2 3.4Å; L536-V566 VanDerWaalsContact CD1-CG2 3.4Å; L536-V566 HydrophobicContact CD2-CG1 3.66Å; L536-V566 HydrophobicContact CD2-CG2 4.48Å |
| 537 | S | 87.8 | Confident | 87.4 | Confident | 79 Ų | 79 | 46.8 Ų | 46.8 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65 | -22.2 | 175.3 | 78.7 | 0 | 0 | 0 | 0 | 113.4 | C533 L534 L535 | C533-S537 PolarHBondContact O-N 3.03Å; C533-S537 VanDerWaalsContact O-N 3.11Å; L534-S537 WeakPolarHBondContact O-CB 3.17Å; L534-S537 PolarHBondContact O-N 2.86Å; L534-S537 VanDerWaalsContact O-N 3.12Å; L534-S537 PolarHBondContact O-OG 3.36Å; L535-S537 VanDerWaalsContact C-N 3.31Å; L535-S537 PolarHBondContact O-N 3.4Å |
| 538 | L | 86.9 | Confident | 87.4 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.4 | -179.5 | -65.3 | 170.4 | 0 | 0 | 0 | 113.6 | I504 V508 L534 L535 L536 S540 T541 Y542 A545 | I504-L538 HydrophobicContact CG2-CD1 3.62Å; V508-L538 HydrophobicContact CG1-CD2 4.02Å; V508-L538 HydrophobicContact CG2-CD1 3.87Å; V508-L538 HydrophobicContact CG2-CD2 4.17Å; L534-L538 HydrophobicContact CG-CD1 4.35Å; L534-L538 WeakPolarHBondContact O-CG 3.47Å; L534-L538 PolarHBondContact O-N 3.04Å; L535-L538 HydrophobicContact CD2-CD1 4.45Å; L535-L538 WeakPolarHBondContact O-CB 3.35Å; L535-L538 PolarHBondContact O-N 3.48Å; L536-L538 PolarHBondContact O-N 3.19Å; L538-S540 PolarHBondContact O-N 3.19Å; L538-T541 PolarHBondContact O-N 3.37Å; L538-Y542 PolarHBondContact O-N 2.98Å; L538-A545 HydrophobicContact CB-CB 4.42Å |
| 539 | E | 86.4 | Confident | 87.4 | Confident | 50 Ų | 50 | 44.7 Ų | 44.7 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -37.6 | -176.4 | -179.1 | -177.1 | 159.7 | 0 | 0 | 113.2 | L535 L536 T541 Y542 P543 H546 K570 | L535-E539 PolarHBondContact O-N 2.92Å; L536-E539 WeakPolarHBondContact O-CB 3.33Å; L536-E539 PolarHBondContact O-N 2.84Å; E539-T541 PolarHBondContact O-N 2.86Å; E539-Y542 CarbonylContact O-C 3.42Å; E539-P543 WeakPolarHBondContact O-CA 3.22Å; E539-H546 HydrophobicContact CG-CB 4Å; E539-H546 IonicContact OE1-ND1 3.84Å; E539-H546 IonicContact OE2-CG 2.98Å; E539-H546 IonicContact OE2-ND1 3.91Å; E539-H546 PolarHBondContact OE2-ND1 3.24Å; E539-K570 IonicContact OE1-NZ 3.05Å; E539-K570 PolarHBondContact OE1-NZ 3.15Å; E539-K570 WeakPolarHBondContact OE2-CE 3.44Å; E539-K570 IonicContact OE2-NZ 3.93Å; E539-K570 PolarHBondContact OE2-NZ 3.02Å |
| 540 | S | 84.6 | Confident | 87.3 | Confident | 110 Ų | 110 | 42.3 Ų | 42.3 | 77% | 0.769 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -29.7 | 179.8 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | L538 | L538-S540 PolarHBondContact O-N 3.19Š|
| 541 | T | 86.7 | Confident | 87.3 | Confident | 81 Ų | 81 | 42.1 Ų | 42.1 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -34.2 | -177.4 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | F513 L538 E539 | F513-T541 HydrophobicContact CE1-CG2 4.44Å; F513-T541 HydrophobicContact CZ-CG2 4.01Å; L538-T541 PolarHBondContact O-N 3.37Å; E539-T541 PolarHBondContact O-N 2.86Å |
| 542 | Y | 88.5 | Confident | 87.2 | Confident | 27 Ų | 27 | 42 Ų | 42 | 11% | 0.106 | 25% | 0.247 | C | C | . | . | trans | -133.2 | 89.5 | 179.5 | -174.8 | -123 | 0 | 0 | 0 | 110.1 | F513 L516 H517 L538 E539 P544 A545 L548 | F513-Y542 HydrophobicContact CB-CD2 3.83Å; F513-Y542 HydrophobicContact CB-CE2 3.7Å; F513-Y542 HydrophobicContact CD1-CD1 4.43Å; F513-Y542 AromaticContact CD1-CD2 3.54Å; F513-Y542 HydrophobicContact CD1-CD2 3.54Å; F513-Y542 HydrophobicContact CD1-CE2 4.25Å; F513-Y542 AromaticContact CD1-CG 3.67Å; F513-Y542 HydrophobicContact CD1-CG 3.67Å; F513-Y542 HydrophobicContact CE1-CD2 4.31Å; F513-Y542 HydrophobicContact CE1-CG 4.22Å; F513-Y542 AromaticContact CG-CD2 3.79Å; F513-Y542 HydrophobicContact CG-CD2 3.79Å; F513-Y542 HydrophobicContact CG-CE2 4.2Å; F513-Y542 HydrophobicContact CG-CG 4.39Å; L516-Y542 HydrophobicContact CD2-CD1 4.2Å; L516-Y542 HydrophobicContact CD2-CE1 4.46Å; H517-Y542 WeakPolarHBondContact CB-OH 3.41Å; H517-Y542 AromaticContact ND1-CZ 3.98Å; H517-Y542 PolarHBondContact ND1-OH 2.84Å; L538-Y542 PolarHBondContact O-N 2.98Å; E539-Y542 CarbonylContact O-C 3.42Å; Y542-P544 VanDerWaalsContact C-N 3.32Å; Y542-P544 HydrophobicContact CD1-CB 4.5Å; Y542-P544 HydrophobicContact CD2-CG 4.28Å; Y542-P544 HydrophobicContact CE1-CB 3.82Å; Y542-P544 HydrophobicContact CE1-CG 4.27Å; Y542-P544 HydrophobicContact CE2-CB 4.16Å; Y542-P544 HydrophobicContact CE2-CG 3.69Å; Y542-A545 HydrophobicContact CD1-CB 3.85Å; Y542-A545 WeakPolarHBondContact O-CB 3.21Å; Y542-A545 PolarHBondContact O-N 2.96Å; Y542-L548 HydrophobicContact CE1-CD1 4.11Å | ||
| 543 | P | 85.7 | Confident | 87.2 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 59% | 0.591 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -36.7 | -175.6 | -27 | 34.1 | 0 | 0 | 0 | 115.6 | E539 A545 H546 | E539-P543 WeakPolarHBondContact O-CA 3.22Å; P543-A545 PolarHBondContact O-N 3.45Å; P543-A545 VanDerWaalsContact O-N 3.13Å; P543-H546 PolarHBondContact O-N 2.93Å |
| 544 | P | 88.4 | Confident | 87.2 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.3 | 175.2 | -22.1 | 33.8 | 0 | 0 | 0 | 114.7 | Y542 H546 Q547 L548 | Y542-P544 VanDerWaalsContact C-N 3.32Å; Y542-P544 HydrophobicContact CD1-CB 4.5Å; Y542-P544 HydrophobicContact CD2-CG 4.28Å; Y542-P544 HydrophobicContact CE1-CB 3.82Å; Y542-P544 HydrophobicContact CE1-CG 4.27Å; Y542-P544 HydrophobicContact CE2-CB 4.16Å; Y542-P544 HydrophobicContact CE2-CG 3.69Å; P544-H546 PolarHBondContact O-N 3.33Å; P544-Q547 PolarHBondContact O-N 2.78Å; P544-L548 WeakPolarHBondContact O-CG 3.44Å; P544-L548 PolarHBondContact O-N 2.99Å |
| 545 | A | 87.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -33.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L535 L538 Y542 P543 L548 S549 | L535-A545 HydrophobicContact CB-CB 4.44Å; L535-A545 VanDerWaalsContact O-CB 3.24Å; L535-A545 WeakPolarHBondContact O-CB 3.4Å; L538-A545 HydrophobicContact CB-CB 4.42Å; Y542-A545 HydrophobicContact CD1-CB 3.85Å; Y542-A545 WeakPolarHBondContact O-CB 3.21Å; Y542-A545 PolarHBondContact O-N 2.96Å; P543-A545 PolarHBondContact O-N 3.45Å; P543-A545 VanDerWaalsContact O-N 3.13Å; A545-L548 PolarHBondContact O-N 3.46Å; A545-S549 VanDerWaalsContact O-CB 3.3Å; A545-S549 WeakPolarHBondContact O-CB 3.43Å; A545-S549 PolarHBondContact O-N 3.43Å; A545-S549 PolarHBondContact O-OG 2.8Å |
| 546 | H | 86.5 | Confident | 86.9 | Confident | 27 Ų | 27 | 50.7 Ų | 50.7 | 13% | 0.125 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -54.4 | 179.1 | -176.3 | 81.5 | 0 | 0 | 0 | 111.3 | E539 P543 P544 L548 S549 L550 | E539-H546 HydrophobicContact CG-CB 4Å; E539-H546 IonicContact OE1-ND1 3.84Å; E539-H546 IonicContact OE2-CG 2.98Å; E539-H546 IonicContact OE2-ND1 3.91Å; E539-H546 PolarHBondContact OE2-ND1 3.24Å; P543-H546 PolarHBondContact O-N 2.93Å; P544-H546 PolarHBondContact O-N 3.33Å; H546-L548 PolarHBondContact O-N 3.06Å; H546-S549 PolarHBondContact O-N 3.23Å; H546-S549 PolarHBondContact O-OG 3.44Å; H546-L550 PolarHBondContact O-N 3.38Å; H546-L550 VanDerWaalsContact O-N 3.15Å |
| 547 | Q | 88 | Confident | 86.4 | Confident | 106 Ų | 106 | 53.1 Ų | 53.1 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | -180 | -173.4 | 59.8 | 39.5 | 0 | 0 | 111.4 | P544 S549 L550 D551 | P544-Q547 PolarHBondContact O-N 2.78Å; Q547-S549 VanDerWaalsContact C-N 3.27Å; Q547-S549 PolarHBondContact O-N 3.29Å; Q547-L550 PolarHBondContact O-N 2.96Å; Q547-D551 PolarHBondContact NE2-OD1 2.87Å; Q547-D551 WeakPolarHBondContact O-CB 3.39Å; Q547-D551 VanDerWaalsContact O-CG 3.22Å; Q547-D551 PolarHBondContact O-N 3.45Å |
| 548 | L | 87.6 | Confident | 85.9 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 178.6 | -68.1 | 170.7 | 0 | 0 | 0 | 112.4 | L520 Y542 P544 A545 H546 M552 | L520-L548 HydrophobicContact CB-CD1 4.38Å; L520-L548 HydrophobicContact CB-CD2 4.43Å; L520-L548 HydrophobicContact CD1-CB 4.41Å; L520-L548 HydrophobicContact CD1-CD1 3.79Å; Y542-L548 HydrophobicContact CE1-CD1 4.11Å; P544-L548 WeakPolarHBondContact O-CG 3.44Å; P544-L548 PolarHBondContact O-N 2.99Å; A545-L548 PolarHBondContact O-N 3.46Å; H546-L548 PolarHBondContact O-N 3.06Å; L548-M552 WeakPolarHBondContact O-CB 3.14Å; L548-M552 PolarHBondContact O-N 2.89Å |
| 549 | S | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 176 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | L536 A545 H546 Q547 M552 L553 | L536-S549 WeakPolarHBondContact CD2-OG 3.44Å; L536-S549 VanDerWaalsContact CG-OG 3.29Å; L536-S549 WeakPolarHBondContact CG-OG 3.36Å; A545-S549 VanDerWaalsContact O-CB 3.3Å; A545-S549 WeakPolarHBondContact O-CB 3.43Å; A545-S549 PolarHBondContact O-N 3.43Å; A545-S549 PolarHBondContact O-OG 2.8Å; H546-S549 PolarHBondContact O-N 3.23Å; H546-S549 PolarHBondContact O-OG 3.44Å; Q547-S549 VanDerWaalsContact C-N 3.27Å; Q547-S549 PolarHBondContact O-N 3.29Å; S549-M552 WeakPolarHBondContact O-CB 3.44Å; S549-M552 PolarHBondContact O-N 3.25Å; S549-L553 WeakPolarHBondContact O-CG 3.36Å; S549-L553 PolarHBondContact O-N 3.24Å |
| 550 | L | 86.3 | Confident | 85.3 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 175.8 | -70.1 | 179.4 | 0 | 0 | 0 | 111.3 | H546 Q547 M552 L553 K554 I563 V566 L567 | H546-L550 PolarHBondContact O-N 3.38Å; H546-L550 VanDerWaalsContact O-N 3.15Å; Q547-L550 PolarHBondContact O-N 2.96Å; L550-M552 VanDerWaalsContact C-N 3.3Å; L550-M552 PolarHBondContact O-N 2.82Å; L550-L553 PolarHBondContact O-N 2.82Å; L550-K554 VanDerWaalsContact O-CB 3.27Å; L550-K554 WeakPolarHBondContact O-CB 3.34Å; L550-K554 PolarHBondContact O-N 2.89Å; L550-I563 HydrophobicContact CD2-CG2 4.26Å; L550-V566 HydrophobicContact CD2-CB 4.39Å; L550-V566 HydrophobicContact CD2-CG1 3.95Å; L550-L567 HydrophobicContact CD1-CD2 4.36Å |
| 551 | D | 86.8 | Confident | 85.1 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.4 | -67.4 | -20.4 | 0 | 0 | 0 | 110.9 | Q547 K554 R555 | Q547-D551 PolarHBondContact NE2-OD1 2.87Å; Q547-D551 WeakPolarHBondContact O-CB 3.39Å; Q547-D551 VanDerWaalsContact O-CG 3.22Å; Q547-D551 PolarHBondContact O-N 3.45Å; D551-K554 PolarHBondContact O-N 3.22Å; D551-R555 WeakPolarHBondContact O-CG 3.28Å; D551-R555 PolarHBondContact O-N 3.44Å; D551-R555 VanDerWaalsContact O-N 3.16Å; D551-R555 PolarHBondContact O-NH1 2.75Å |
| 552 | M | 87.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -49.4 | 174.5 | -179.8 | 175.5 | -65.7 | 0 | 0 | 112.4 | L520 D527 L531 A532 L535 L548 S549 L550 K554 R555 L556 | L520-M552 HydrophobicContact CD2-CE 3.61Å; D527-M552 HydrophobicContact CB-CG 3.75Å; D527-M552 WeakPolarHBondContact OD1-CG 3Å; L531-M552 HydrophobicContact CB-SD 3.99Å; L531-M552 HydrophobicContact CD2-CE 3.84Å; L531-M552 HydrophobicContact CD2-SD 4.1Å; L531-M552 HydrophobicContact CG-CE 4.35Å; L531-M552 HydrophobicContact CG-SD 4.22Å; A532-M552 HydrophobicContact CB-CG 4.35Å; A532-M552 HydrophobicContact CB-SD 4.08Å; L535-M552 HydrophobicContact CD1-CE 3.93Å; L535-M552 HydrophobicContact CD1-SD 4.35Å; L548-M552 WeakPolarHBondContact O-CB 3.14Å; L548-M552 PolarHBondContact O-N 2.89Å; S549-M552 WeakPolarHBondContact O-CB 3.44Å; S549-M552 PolarHBondContact O-N 3.25Å; L550-M552 VanDerWaalsContact C-N 3.3Å; L550-M552 PolarHBondContact O-N 2.82Å; M552-K554 VanDerWaalsContact C-N 3.29Å; M552-K554 PolarHBondContact O-N 2.86Å; M552-R555 PolarHBondContact O-N 2.99Å; M552-L556 PolarHBondContact O-N 3.31Å |
| 553 | L | 86.9 | Confident | 84.5 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 177.6 | -68.5 | 168.3 | 0 | 0 | 0 | 111.6 | A532 S549 L550 R555 L556 A559 E562 I563 | A532-L553 HydrophobicContact CB-CD1 4.21Å; A532-L553 HydrophobicContact CB-CD2 3.55Å; A532-L553 HydrophobicContact CB-CG 3.58Å; S549-L553 WeakPolarHBondContact O-CG 3.36Å; S549-L553 PolarHBondContact O-N 3.24Å; L550-L553 PolarHBondContact O-N 2.82Å; L553-R555 VanDerWaalsContact C-N 3.32Å; L553-R555 PolarHBondContact O-N 3.02Å; L553-L556 PolarHBondContact O-N 3.36Å; L553-A559 HydrophobicContact CB-CB 4.22Å; L553-A559 HydrophobicContact CD2-CB 3.7Å; L553-E562 HydrophobicContact CD2-CB 4.41Å; L553-I563 HydrophobicContact CB-CD1 3.71Å; L553-I563 HydrophobicContact CB-CG1 3.41Å; L553-I563 VanDerWaalsContact CB-CG1 3.41Å; L553-I563 HydrophobicContact CD1-CG1 3.9Å; L553-I563 HydrophobicContact CG-CG1 4.26Å |
| 554 | K | 85.7 | Confident | 84.4 | Confident | 138 Ų | 138 | 47.3 Ų | 47.3 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.5 | -37.7 | 179.1 | -173.9 | 178.4 | 178.6 | -176.4 | 0 | 111.9 | L550 D551 M552 I563 | L550-K554 VanDerWaalsContact O-CB 3.27Å; L550-K554 WeakPolarHBondContact O-CB 3.34Å; L550-K554 PolarHBondContact O-N 2.89Å; D551-K554 PolarHBondContact O-N 3.22Å; M552-K554 VanDerWaalsContact C-N 3.29Å; M552-K554 PolarHBondContact O-N 2.86Å; K554-I563 HydrophobicContact CB-CD1 4.34Å |
| 555 | R | 86.1 | Confident | 84.1 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 176.5 | -72.6 | -173.8 | -55.9 | -94.8 | 6.4 | 112.9 | H523 D527 D551 M552 L553 S557 | H523-R555 PolarHBondContact CE1-NE 2.7Å; H523-R555 VanDerWaalsContact CE1-NE 3.33Å; D527-R555 IonicContact OD1-CZ 3.78Å; D527-R555 IonicContact OD1-NE 3.58Å; D527-R555 IonicContact OD1-NH2 3.54Å; D527-R555 PolarHBondContact OD1-NH2 3.4Å; D527-R555 WeakPolarHBondContact OD2-CB 3.44Å; D527-R555 IonicContact OD2-CZ 3.15Å; D527-R555 IonicContact OD2-NE 2.8Å; D527-R555 PolarHBondContact OD2-NE 3.08Å; D527-R555 IonicContact OD2-NH2 3.73Å; D527-R555 PolarHBondContact OD2-NH2 2.67Å; D551-R555 WeakPolarHBondContact O-CG 3.28Å; D551-R555 PolarHBondContact O-N 3.44Å; D551-R555 VanDerWaalsContact O-N 3.16Å; D551-R555 PolarHBondContact O-NH1 2.75Å; M552-R555 PolarHBondContact O-N 2.99Å; L553-R555 VanDerWaalsContact C-N 3.32Å; L553-R555 PolarHBondContact O-N 3.02Å; R555-S557 PolarHBondContact O-N 3.12Å; R555-S557 PolarHBondContact O-OG 2.96Å |
| 556 | L | 84.2 | Confident | 83.9 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65 | -19.1 | -179.1 | -73.6 | 170.6 | 0 | 0 | 0 | 114.4 | D527 K529 M552 L553 T558 A559 | D527-L556 HydrophobicContact CB-CD1 4.43Å; D527-L556 HydrophobicContact CB-CD2 3.77Å; D527-L556 HydrophobicContact CB-CG 3.93Å; K529-L556 HydrophobicContact CG-CD1 4.14Å; M552-L556 PolarHBondContact O-N 3.31Å; L553-L556 PolarHBondContact O-N 3.36Å; L556-T558 PolarHBondContact O-N 3.25Å; L556-T558 PolarHBondContact O-OG1 2.84Å; L556-A559 HydrophobicContact CB-CB 4.3Å |
| 557 | S | 77.5 | Confident | 83.8 | Confident | 85 Ų | 85 | 50 Ų | 50 | 59% | 0.594 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 58.4 | -19.6 | 179.3 | -55.5 | 0 | 0 | 0 | 0 | 116.8 | R555 N560 | R555-S557 PolarHBondContact O-N 3.12Å; R555-S557 PolarHBondContact O-OG 2.96Å; S557-N560 PolarHBondContact O-ND2 3.03Å |
| 558 | T | 78.1 | Confident | 83.6 | Confident | 102 Ų | 102 | 45.8 Ų | 45.8 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -99.3 | 3.7 | 179.9 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | K529 L556 | K529-T558 WeakPolarHBondContact CE-O 3.45Å; K529-T558 PolarHBondContact NZ-O 3.49Å; L556-T558 PolarHBondContact O-N 3.25Å; L556-T558 PolarHBondContact O-OG1 2.84Å |
| 559 | A | 79.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -114.9 | 27.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K529 L553 L556 D561 E562 I563 | K529-A559 HydrophobicContact CD-CB 4.46Å; K529-A559 HydrophobicContact CG-CB 4.27Å; L553-A559 HydrophobicContact CB-CB 4.22Å; L553-A559 HydrophobicContact CD2-CB 3.7Å; L556-A559 HydrophobicContact CB-CB 4.3Å; A559-D561 VanDerWaalsContact C-N 3.35Å; A559-D561 PolarHBondContact O-N 2.79Å; A559-E562 WeakPolarHBondContact CA-OE2 3.41Å; A559-E562 PolarHBondContact O-N 3.23Å; A559-I563 WeakPolarHBondContact O-CG1 3.45Å; A559-I563 PolarHBondContact O-N 3.36Å; A559-I563 VanDerWaalsContact O-N 3.15Å | ||
| 560 | N | 81 | Confident | 83 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | -173.6 | -61.5 | -48.8 | 0 | 0 | 0 | 112.6 | S557 I563 V564 F579 V583 | S557-N560 PolarHBondContact O-ND2 3.03Å; N560-I563 PolarHBondContact O-N 2.75Å; N560-V564 WeakPolarHBondContact O-CG2 3.32Å; N560-V564 PolarHBondContact O-N 2.93Å; N560-F579 HydrophobicContact CB-CE1 4.23Å; N560-V583 HydrophobicContact CB-CG1 4.5Å |
| 561 | D | 80.2 | Confident | 82.8 | Confident | 119 Ų | 119 | 57.4 Ų | 57.4 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -69 | -40.5 | 178.4 | -68.8 | -24.8 | 0 | 0 | 0 | 110.8 | A559 I563 V564 E565 | A559-D561 VanDerWaalsContact C-N 3.35Å; A559-D561 PolarHBondContact O-N 2.79Å; D561-I563 PolarHBondContact O-N 3.3Å; D561-V564 WeakPolarHBondContact O-CB 3.35Å; D561-V564 PolarHBondContact O-N 2.78Å; D561-E565 WeakPolarHBondContact O-CG 3.48Å; D561-E565 PolarHBondContact O-N 2.72Å |
| 562 | E | 81.9 | Confident | 82.6 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64 | -41 | 176.4 | -64.3 | 87.5 | 157.1 | 0 | 0 | 111.6 | K529 L553 A559 V564 E565 V566 | K529-E562 WeakPolarHBondContact CD-OE1 2.97Å; K529-E562 WeakPolarHBondContact CE-OE1 3.17Å; K529-E562 IonicContact NZ-OE1 3.54Å; K529-E562 PolarHBondContact NZ-OE1 2.92Å; K529-E562 IonicContact NZ-OE2 3.81Å; L553-E562 HydrophobicContact CD2-CB 4.41Å; A559-E562 WeakPolarHBondContact CA-OE2 3.41Å; A559-E562 PolarHBondContact O-N 3.23Å; E562-V564 VanDerWaalsContact C-N 3.29Å; E562-V564 PolarHBondContact O-N 3.21Å; E562-E565 PolarHBondContact O-N 2.79Å; E562-V566 VanDerWaalsContact O-CG2 3.22Å; E562-V566 WeakPolarHBondContact O-CG2 3.17Å; E562-V566 PolarHBondContact O-N 2.73Å |
| 563 | I | 81.8 | Confident | 82.4 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 174.2 | -67.4 | 164.8 | 0 | 0 | 0 | 110.9 | L550 L553 K554 A559 N560 D561 V566 L567 F579 | L550-I563 HydrophobicContact CD2-CG2 4.26Å; L553-I563 HydrophobicContact CB-CD1 3.71Å; L553-I563 HydrophobicContact CB-CG1 3.41Å; L553-I563 VanDerWaalsContact CB-CG1 3.41Å; L553-I563 HydrophobicContact CD1-CG1 3.9Å; L553-I563 HydrophobicContact CG-CG1 4.26Å; K554-I563 HydrophobicContact CB-CD1 4.34Å; A559-I563 WeakPolarHBondContact O-CG1 3.45Å; A559-I563 PolarHBondContact O-N 3.36Å; A559-I563 VanDerWaalsContact O-N 3.15Å; N560-I563 PolarHBondContact O-N 2.75Å; D561-I563 PolarHBondContact O-N 3.3Å; I563-V566 PolarHBondContact O-N 2.9Å; I563-L567 HydrophobicContact CG2-CD1 3.91Å; I563-L567 HydrophobicContact CG2-CG 4.45Å; I563-L567 WeakPolarHBondContact O-CG 3.44Å; I563-L567 PolarHBondContact O-N 2.88Å; I563-F579 HydrophobicContact CB-CD1 4.31Å; I563-F579 HydrophobicContact CB-CE1 3.8Å; I563-F579 HydrophobicContact CB-CZ 4.17Å; I563-F579 HydrophobicContact CD1-CE1 3.84Å; I563-F579 HydrophobicContact CD1-CE2 4.1Å; I563-F579 HydrophobicContact CD1-CZ 3.36Å; I563-F579 HydrophobicContact CG1-CE1 4.44Å; I563-F579 HydrophobicContact CG1-CZ 4.36Å; I563-F579 HydrophobicContact CG2-CD1 3.7Å; I563-F579 HydrophobicContact CG2-CD2 4.32Å; I563-F579 HydrophobicContact CG2-CE1 3.59Å; I563-F579 HydrophobicContact CG2-CE2 4.22Å; I563-F579 HydrophobicContact CG2-CG 4.08Å; I563-F579 HydrophobicContact CG2-CZ 3.87Å |
| 564 | V | 82.3 | Confident | 82.1 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 178.3 | 166.1 | 0 | 0 | 0 | 0 | 110.9 | N560 D561 E562 V566 L567 L568 F579 I580 F594 | N560-V564 WeakPolarHBondContact O-CG2 3.32Å; N560-V564 PolarHBondContact O-N 2.93Å; D561-V564 WeakPolarHBondContact O-CB 3.35Å; D561-V564 PolarHBondContact O-N 2.78Å; E562-V564 VanDerWaalsContact C-N 3.29Å; E562-V564 PolarHBondContact O-N 3.21Å; V564-V566 VanDerWaalsContact C-N 3.31Å; V564-V566 PolarHBondContact O-N 2.82Å; V564-L567 PolarHBondContact O-N 2.77Å; V564-L568 HydrophobicContact CG1-CD1 3.76Å; V564-L568 HydrophobicContact CG1-CG 4.24Å; V564-L568 WeakPolarHBondContact O-CB 3.45Å; V564-L568 VanDerWaalsContact O-CG 3.22Å; V564-L568 WeakPolarHBondContact O-CG 3.16Å; V564-L568 PolarHBondContact O-N 2.85Å; V564-F579 HydrophobicContact CG2-CD1 4.16Å; V564-I580 HydrophobicContact CB-CD1 4.46Å; V564-I580 HydrophobicContact CG1-CD1 4.05Å; V564-I580 HydrophobicContact CG2-CD1 3.52Å; V564-I580 HydrophobicContact CG2-CG1 3.4Å; V564-I580 VanDerWaalsContact CG2-CG1 3.4Å; V564-F594 HydrophobicContact CG1-CE2 3.71Å; V564-F594 HydrophobicContact CG1-CZ 3.44Å; V564-F594 VanDerWaalsContact CG1-CZ 3.44Å |
| 565 | E | 83.3 | Confident | 81.9 | Confident | 100 Ų | 100 | 58 Ų | 58 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 178.2 | -72.2 | -172.7 | 166.1 | 0 | 0 | 112.1 | D561 E562 L568 S569 K593 | D561-E565 WeakPolarHBondContact O-CG 3.48Å; D561-E565 PolarHBondContact O-N 2.72Å; E562-E565 PolarHBondContact O-N 2.79Å; E565-L568 PolarHBondContact O-N 3.39Å; E565-S569 WeakPolarHBondContact O-CB 3.42Å; E565-S569 PolarHBondContact O-N 3.27Å; E565-K593 IonicContact OE1-NZ 3.82Å; E565-K593 PolarHBondContact OE1-NZ 3.39Å |
| 566 | V | 83.2 | Confident | 81.8 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | L536 L550 E562 I563 V564 L568 S569 K570 | L536-V566 HydrophobicContact CD1-CB 4.44Å; L536-V566 HydrophobicContact CD1-CG1 4.13Å; L536-V566 HydrophobicContact CD1-CG2 3.4Å; L536-V566 VanDerWaalsContact CD1-CG2 3.4Å; L536-V566 HydrophobicContact CD2-CG1 3.66Å; L536-V566 HydrophobicContact CD2-CG2 4.48Å; L550-V566 HydrophobicContact CD2-CB 4.39Å; L550-V566 HydrophobicContact CD2-CG1 3.95Å; E562-V566 VanDerWaalsContact O-CG2 3.22Å; E562-V566 WeakPolarHBondContact O-CG2 3.17Å; E562-V566 PolarHBondContact O-N 2.73Å; I563-V566 PolarHBondContact O-N 2.9Å; V564-V566 VanDerWaalsContact C-N 3.31Å; V564-V566 PolarHBondContact O-N 2.82Å; V566-L568 VanDerWaalsContact C-N 3.33Å; V566-L568 PolarHBondContact O-N 2.61Å; V566-S569 PolarHBondContact O-N 2.89Å; V566-S569 PolarHBondContact O-OG 2.96Å; V566-K570 PolarHBondContact O-N 2.89Å |
| 567 | L | 83.3 | Confident | 81.7 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 178.4 | -70 | 171 | 0 | 0 | 0 | 112.6 | L550 I563 V564 K570 Q571 Q572 A576 F579 | L550-L567 HydrophobicContact CD1-CD2 4.36Å; I563-L567 HydrophobicContact CG2-CD1 3.91Å; I563-L567 HydrophobicContact CG2-CG 4.45Å; I563-L567 WeakPolarHBondContact O-CG 3.44Å; I563-L567 PolarHBondContact O-N 2.88Å; V564-L567 PolarHBondContact O-N 2.77Å; L567-K570 PolarHBondContact O-N 3Å; L567-Q571 PolarHBondContact O-N 3.21Å; L567-Q572 HydrophobicContact CD2-CB 4.35Å; L567-Q572 VanDerWaalsContact CD2-OE1 3.31Å; L567-Q572 PolarHBondContact O-N 3.46Å; L567-A576 HydrophobicContact CB-CB 3.82Å; L567-A576 HydrophobicContact CD1-CB 4.25Å; L567-F579 HydrophobicContact CD1-CB 4.31Å |
| 568 | L | 84.3 | Confident | 81.9 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 176.9 | -70.7 | 176.8 | 0 | 0 | 0 | 112 | V564 E565 V566 K570 Q571 V573 A576 K593 F594 A597 | V564-L568 HydrophobicContact CG1-CD1 3.76Å; V564-L568 HydrophobicContact CG1-CG 4.24Å; V564-L568 WeakPolarHBondContact O-CB 3.45Å; V564-L568 VanDerWaalsContact O-CG 3.22Å; V564-L568 WeakPolarHBondContact O-CG 3.16Å; V564-L568 PolarHBondContact O-N 2.85Å; E565-L568 PolarHBondContact O-N 3.39Å; V566-L568 VanDerWaalsContact C-N 3.33Å; V566-L568 PolarHBondContact O-N 2.61Å; L568-K570 PolarHBondContact O-N 2.86Å; L568-Q571 PolarHBondContact O-N 2.81Å; L568-V573 HydrophobicContact CD2-CB 4.48Å; L568-V573 HydrophobicContact CD2-CG1 4.18Å; L568-V573 HydrophobicContact CD2-CG2 4.32Å; L568-A576 HydrophobicContact CD2-CB 4.04Å; L568-A576 HydrophobicContact CG-CB 4.19Å; L568-K593 HydrophobicContact CD1-CB 4.25Å; L568-F594 HydrophobicContact CD1-CD2 4.1Å; L568-F594 HydrophobicContact CD1-CE1 4.43Å; L568-F594 HydrophobicContact CD1-CE2 3.8Å; L568-F594 HydrophobicContact CD1-CG 4.46Å; L568-F594 HydrophobicContact CD1-CZ 3.96Å; L568-F594 HydrophobicContact CD2-CD1 3.81Å; L568-F594 HydrophobicContact CD2-CE1 3.82Å; L568-F594 HydrophobicContact CD2-CG 4.2Å; L568-F594 HydrophobicContact CD2-CZ 4.18Å; L568-F594 HydrophobicContact CG-CE1 4.44Å; L568-F594 HydrophobicContact CG-CZ 4.33Å; L568-A597 HydrophobicContact CB-CB 4.29Å; L568-A597 HydrophobicContact CD2-CB 3.83Å |
| 569 | S | 83.3 | Confident | 82.2 | Confident | 87 Ų | 87 | 53.3 Ų | 53.3 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.4 | -33 | 176.7 | 76.4 | 0 | 0 | 0 | 0 | 113 | E565 V566 Q571 | E565-S569 WeakPolarHBondContact O-CB 3.42Å; E565-S569 PolarHBondContact O-N 3.27Å; V566-S569 PolarHBondContact O-N 2.89Å; V566-S569 PolarHBondContact O-OG 2.96Å; S569-Q571 VanDerWaalsContact C-N 3.28Å; S569-Q571 PolarHBondContact O-N 3.42Å |
| 570 | K | 79.7 | Confident | 82.4 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 12.2 | 175.8 | -68.2 | -75.5 | 178.1 | 167.1 | 0 | 113.7 | E539 V566 L567 L568 Q572 | E539-K570 IonicContact OE1-NZ 3.05Å; E539-K570 PolarHBondContact OE1-NZ 3.15Å; E539-K570 WeakPolarHBondContact OE2-CE 3.44Å; E539-K570 IonicContact OE2-NZ 3.93Å; E539-K570 PolarHBondContact OE2-NZ 3.02Å; V566-K570 PolarHBondContact O-N 2.89Å; L567-K570 PolarHBondContact O-N 3Å; L568-K570 PolarHBondContact O-N 2.86Å; K570-Q572 HydrophobicContact CB-CG 4.38Å; K570-Q572 PolarHBondContact O-N 2.57Å; K570-Q572 VanDerWaalsContact O-N 3.15Å |
| 571 | Q | 81.2 | Confident | 82.4 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 16.1 | 179.7 | -62.8 | 178 | 8.4 | 0 | 0 | 114.4 | L567 L568 S569 V573 T601 | L567-Q571 PolarHBondContact O-N 3.21Å; L568-Q571 PolarHBondContact O-N 2.81Å; S569-Q571 VanDerWaalsContact C-N 3.28Å; S569-Q571 PolarHBondContact O-N 3.42Å; Q571-V573 PolarHBondContact O-N 3.27Å; Q571-T601 HydrophobicContact CB-CG2 3.48Å; Q571-T601 VanDerWaalsContact CB-CG2 3.48Å; Q571-T601 HydrophobicContact CG-CG2 3.75Å |
| 572 | Q | 82.9 | Confident | 82.4 | Confident | 99 Ų | 99 | 56.4 Ų | 56.4 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | trans | -85.9 | 57.7 | 177.9 | -63.1 | -171.6 | -5.4 | 0 | 0 | 111.6 | L567 K570 L574 G575 A576 | L567-Q572 HydrophobicContact CD2-CB 4.35Å; L567-Q572 VanDerWaalsContact CD2-OE1 3.31Å; L567-Q572 PolarHBondContact O-N 3.46Å; K570-Q572 HydrophobicContact CB-CG 4.38Å; K570-Q572 PolarHBondContact O-N 2.57Å; K570-Q572 VanDerWaalsContact O-N 3.15Å; Q572-L574 PolarHBondContact O-N 2.92Å; Q572-G575 WeakPolarHBondContact O-CA 3.49Å; Q572-G575 PolarHBondContact O-N 2.81Å; Q572-A576 PolarHBondContact O-N 3.02Å | ||
| 573 | V | 83.5 | Confident | 82.3 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | -171.4 | -171 | 0 | 0 | 0 | 0 | 112.7 | L568 Q571 G575 A576 L577 F594 A597 A598 L606 V610 | L568-V573 HydrophobicContact CD2-CB 4.48Å; L568-V573 HydrophobicContact CD2-CG1 4.18Å; L568-V573 HydrophobicContact CD2-CG2 4.32Å; Q571-V573 PolarHBondContact O-N 3.27Å; V573-G575 VanDerWaalsContact C-N 3.35Å; V573-A576 PolarHBondContact O-N 2.89Å; V573-L577 PolarHBondContact O-N 2.91Å; V573-F594 HydrophobicContact CG1-CD1 3.98Å; V573-A597 HydrophobicContact CG2-CB 3.99Å; V573-A598 HydrophobicContact CG1-CB 4.36Å; V573-A598 HydrophobicContact CG2-CB 4.43Å; V573-L606 HydrophobicContact CG2-CD2 4.4Å; V573-V610 HydrophobicContact CB-CG2 4.47Å; V573-V610 HydrophobicContact CG1-CG1 4.24Å; V573-V610 HydrophobicContact CG1-CG2 3.61Å |
| 574 | L | 81.6 | Confident | 81.8 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 41% | 0.414 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.6 | -34.2 | 176.1 | -65.6 | 176.9 | 0 | 0 | 0 | 112.4 | Q572 L577 R578 L606 T609 | Q572-L574 PolarHBondContact O-N 2.92Å; L574-L577 PolarHBondContact O-N 3.03Å; L574-R578 WeakPolarHBondContact O-CB 3.17Å; L574-R578 VanDerWaalsContact O-CG 3.26Å; L574-R578 WeakPolarHBondContact O-CG 3.44Å; L574-R578 PolarHBondContact O-N 3.42Å; L574-L606 HydrophobicContact CD1-CD1 3.93Å; L574-L606 HydrophobicContact CD2-CD1 3.89Å; L574-L606 HydrophobicContact CG-CD1 3.55Å; L574-T609 HydrophobicContact CD2-CG2 4.47Å |
| 575 | G | 81.8 | Confident | 81.3 | Confident | 30 Ų | 30 | 60.4 Ų | 60.4 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q572 V573 R578 F579 | Q572-G575 WeakPolarHBondContact O-CA 3.49Å; Q572-G575 PolarHBondContact O-N 2.81Å; V573-G575 VanDerWaalsContact C-N 3.35Å; G575-R578 PolarHBondContact O-N 2.8Å; G575-F579 WeakPolarHBondContact O-CB 3.24Å; G575-F579 PolarHBondContact O-N 2.92Å |
| 576 | A | 83.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L567 L568 Q572 V573 R578 F579 I580 F594 | L567-A576 HydrophobicContact CB-CB 3.82Å; L567-A576 HydrophobicContact CD1-CB 4.25Å; L568-A576 HydrophobicContact CD2-CB 4.04Å; L568-A576 HydrophobicContact CG-CB 4.19Å; Q572-A576 PolarHBondContact O-N 3.02Å; V573-A576 PolarHBondContact O-N 2.89Å; A576-R578 PolarHBondContact O-N 3.31Å; A576-F579 PolarHBondContact O-N 3.24Å; A576-I580 WeakPolarHBondContact O-CD1 3.34Å; A576-I580 WeakPolarHBondContact O-CG1 3.34Å; A576-I580 PolarHBondContact O-N 2.9Å; A576-F594 HydrophobicContact CB-CE1 3.6Å; A576-F594 HydrophobicContact CB-CZ 3.97Å |
| 577 | L | 81.3 | Confident | 80.1 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.7 | -77.7 | 174.4 | 0 | 0 | 0 | 112.7 | V573 L574 R581 F594 V610 F614 | V573-L577 PolarHBondContact O-N 2.91Å; L574-L577 PolarHBondContact O-N 3.03Å; L577-R581 VanDerWaalsContact O-CG 3.3Å; L577-R581 WeakPolarHBondContact O-CG 3.35Å; L577-R581 PolarHBondContact O-N 2.67Å; L577-R581 VanDerWaalsContact O-N 3.11Å; L577-F594 HydrophobicContact CD2-CD1 3.68Å; L577-F594 HydrophobicContact CD2-CE1 3.75Å; L577-F594 HydrophobicContact CD2-CG 4.48Å; L577-F594 HydrophobicContact CG-CD1 3.74Å; L577-F594 HydrophobicContact CG-CE1 3.77Å; L577-V610 HydrophobicContact CD1-CB 4.47Å; L577-V610 HydrophobicContact CD1-CG1 4.29Å; L577-V610 HydrophobicContact CD1-CG2 3.96Å; L577-F614 HydrophobicContact CD2-CE2 4.09Å; L577-F614 HydrophobicContact CD2-CZ 3.91Å |
| 578 | R | 83.4 | Confident | 79.6 | Confident | 189 Ų | 189 | 65 Ų | 65 | 71% | 0.713 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.4 | -43 | 176.3 | -76.1 | 175.3 | -179.8 | -171.6 | 1.2 | 111.5 | L574 G575 A576 R581 S582 | L574-R578 WeakPolarHBondContact O-CB 3.17Å; L574-R578 VanDerWaalsContact O-CG 3.26Å; L574-R578 WeakPolarHBondContact O-CG 3.44Å; L574-R578 PolarHBondContact O-N 3.42Å; G575-R578 PolarHBondContact O-N 2.8Å; A576-R578 PolarHBondContact O-N 3.31Å; R578-R581 PolarHBondContact O-N 3.28Å; R578-S582 PolarHBondContact O-N 3.18Å |
| 579 | F | 83.6 | Confident | 79.3 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 13% | 0.127 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 177.4 | 178.9 | -102.7 | 0 | 0 | 0 | 111.5 | N560 I563 V564 L567 G575 A576 R581 S582 V583 | N560-F579 HydrophobicContact CB-CE1 4.23Å; I563-F579 HydrophobicContact CB-CD1 4.31Å; I563-F579 HydrophobicContact CB-CE1 3.8Å; I563-F579 HydrophobicContact CB-CZ 4.17Å; I563-F579 HydrophobicContact CD1-CE1 3.84Å; I563-F579 HydrophobicContact CD1-CE2 4.1Å; I563-F579 HydrophobicContact CD1-CZ 3.36Å; I563-F579 HydrophobicContact CG1-CE1 4.44Å; I563-F579 HydrophobicContact CG1-CZ 4.36Å; I563-F579 HydrophobicContact CG2-CD1 3.7Å; I563-F579 HydrophobicContact CG2-CD2 4.32Å; I563-F579 HydrophobicContact CG2-CE1 3.59Å; I563-F579 HydrophobicContact CG2-CE2 4.22Å; I563-F579 HydrophobicContact CG2-CG 4.08Å; I563-F579 HydrophobicContact CG2-CZ 3.87Å; V564-F579 HydrophobicContact CG2-CD1 4.16Å; L567-F579 HydrophobicContact CD1-CB 4.31Å; G575-F579 WeakPolarHBondContact O-CB 3.24Å; G575-F579 PolarHBondContact O-N 2.92Å; A576-F579 PolarHBondContact O-N 3.24Å; F579-R581 VanDerWaalsContact C-N 3.29Å; F579-R581 PolarHBondContact O-N 3.2Å; F579-S582 WeakPolarHBondContact O-CA 3.48Å; F579-S582 WeakPolarHBondContact O-CB 3.48Å; F579-S582 PolarHBondContact O-N 3.23Å; F579-S582 PolarHBondContact O-OG 3.43Å; F579-V583 HydrophobicContact CD1-CG2 4.48Å; F579-V583 HydrophobicContact CD2-CG2 4.44Å; F579-V583 HydrophobicContact CE1-CG2 4Å; F579-V583 HydrophobicContact CE2-CG2 3.96Å; F579-V583 HydrophobicContact CZ-CG2 3.7Å; F579-V583 WeakPolarHBondContact O-CG2 3.39Å; F579-V583 PolarHBondContact O-N 3.38Å; F579-V583 VanDerWaalsContact O-N 3.1Å |
| 580 | I | 82.8 | Confident | 79.2 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 5% | 0.051 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.6 | -42 | 177.4 | -73.4 | 158.8 | 0 | 0 | 0 | 112.2 | V564 A576 S582 V583 G584 G585 H586 V589 F594 | V564-I580 HydrophobicContact CB-CD1 4.46Å; V564-I580 HydrophobicContact CG1-CD1 4.05Å; V564-I580 HydrophobicContact CG2-CD1 3.52Å; V564-I580 HydrophobicContact CG2-CG1 3.4Å; V564-I580 VanDerWaalsContact CG2-CG1 3.4Å; A576-I580 WeakPolarHBondContact O-CD1 3.34Å; A576-I580 WeakPolarHBondContact O-CG1 3.34Å; A576-I580 PolarHBondContact O-N 2.9Å; I580-S582 VanDerWaalsContact C-N 3.29Å; I580-S582 PolarHBondContact O-N 3.06Å; I580-V583 PolarHBondContact O-N 3.03Å; I580-G584 PolarHBondContact O-N 3.28Å; I580-G584 VanDerWaalsContact O-N 3.15Å; I580-G585 PolarHBondContact O-N 3.07Å; I580-H586 HydrophobicContact CG2-CB 4.05Å; I580-V589 HydrophobicContact CD1-CB 4.39Å; I580-V589 HydrophobicContact CD1-CG1 3.93Å; I580-V589 HydrophobicContact CD1-CG2 3.78Å; I580-V589 HydrophobicContact CG1-CG2 4.08Å; I580-V589 HydrophobicContact CG2-CG2 3.64Å; I580-F594 HydrophobicContact CD1-CE1 3.93Å; I580-F594 HydrophobicContact CD1-CE2 3.83Å; I580-F594 HydrophobicContact CD1-CZ 3.15Å |
| 581 | R | 81.3 | Confident | 79.3 | Confident | 131 Ų | 131 | 59.3 Ų | 59.3 | 49% | 0.494 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 175.8 | -76 | 177.7 | 179.4 | -176.3 | 2.3 | 111.7 | L577 R578 F579 V583 G584 H586 | L577-R581 VanDerWaalsContact O-CG 3.3Å; L577-R581 WeakPolarHBondContact O-CG 3.35Å; L577-R581 PolarHBondContact O-N 2.67Å; L577-R581 VanDerWaalsContact O-N 3.11Å; R578-R581 PolarHBondContact O-N 3.28Å; F579-R581 VanDerWaalsContact C-N 3.29Å; F579-R581 PolarHBondContact O-N 3.2Å; R581-V583 VanDerWaalsContact C-N 3.31Å; R581-V583 PolarHBondContact O-N 3.3Å; R581-G584 PolarHBondContact O-N 3.38Å; R581-H586 HydrophobicContact CG-CB 4.41Å; R581-H586 VanDerWaalsContact CG-CD2 3.48Å; R581-H586 WeakPolarHBondContact CG-CD2 3.47Å; R581-H586 PolarHBondContact NE-NE2 2.71Å |
| 582 | S | 81.6 | Confident | 79.4 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.7 | -27.6 | 178.4 | 73.8 | 0 | 0 | 0 | 0 | 113.8 | R578 F579 I580 | R578-S582 PolarHBondContact O-N 3.18Å; F579-S582 WeakPolarHBondContact O-CA 3.48Å; F579-S582 WeakPolarHBondContact O-CB 3.48Å; F579-S582 PolarHBondContact O-N 3.23Å; F579-S582 PolarHBondContact O-OG 3.43Å; I580-S582 VanDerWaalsContact C-N 3.29Å; I580-S582 PolarHBondContact O-N 3.06Å |
| 583 | V | 78.1 | Confident | 79.5 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 39% | 0.394 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -91.4 | -6.5 | 179.5 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | N560 F579 I580 R581 G585 | N560-V583 HydrophobicContact CB-CG1 4.5Å; F579-V583 HydrophobicContact CD1-CG2 4.48Å; F579-V583 HydrophobicContact CD2-CG2 4.44Å; F579-V583 HydrophobicContact CE1-CG2 4Å; F579-V583 HydrophobicContact CE2-CG2 3.96Å; F579-V583 HydrophobicContact CZ-CG2 3.7Å; F579-V583 WeakPolarHBondContact O-CG2 3.39Å; F579-V583 PolarHBondContact O-N 3.38Å; F579-V583 VanDerWaalsContact O-N 3.1Å; I580-V583 PolarHBondContact O-N 3.03Å; R581-V583 VanDerWaalsContact C-N 3.31Å; R581-V583 PolarHBondContact O-N 3.3Å; V583-G585 PolarHBondContact O-N 3.32Å |
| 584 | G | 72.8 | Confident | 79.5 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 63% | 0.629 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 5.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I580 R581 H586 | I580-G584 PolarHBondContact O-N 3.28Å; I580-G584 VanDerWaalsContact O-N 3.15Å; R581-G584 PolarHBondContact O-N 3.38Å; G584-H586 VanDerWaalsContact C-N 3.27Å; G584-H586 PolarHBondContact O-N 2.75Å |
| 585 | G | 71.2 | Confident | 79.6 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 32% | 0.32 | 30% | 0.303 | S | S | . | . | trans | -82.2 | 4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I580 V583 D587 N588 V589 | I580-G585 PolarHBondContact O-N 3.07Å; V583-G585 PolarHBondContact O-N 3.32Å; G585-D587 PolarHBondContact O-N 3.01Å; G585-N588 PolarHBondContact O-N 2.82Å; G585-N588 VanDerWaalsContact O-N 3.14Å; G585-V589 WeakPolarHBondContact O-CG2 3.32Å | ||
| 586 | H | 71.3 | Confident | 79.7 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.065 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -27.5 | -171.1 | -176 | -94.1 | 0 | 0 | 0 | 114.5 | I580 R581 G584 R617 | I580-H586 HydrophobicContact CG2-CB 4.05Å; R581-H586 HydrophobicContact CG-CB 4.41Å; R581-H586 VanDerWaalsContact CG-CD2 3.48Å; R581-H586 WeakPolarHBondContact CG-CD2 3.47Å; R581-H586 PolarHBondContact NE-NE2 2.71Å; G584-H586 VanDerWaalsContact C-N 3.27Å; G584-H586 PolarHBondContact O-N 2.75Å; H586-R617 WeakPolarHBondContact O-CD 3.45Å; H586-R617 PolarHBondContact O-NE 2.78Å; H586-R617 PolarHBondContact O-NH1 3.35Å |
| 587 | D | 69.7 | Low | 79.6 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -11.7 | -171.9 | -62.6 | -22.5 | 0 | 0 | 0 | 114.5 | G585 R617 L621 | G585-D587 PolarHBondContact O-N 3.01Å; D587-R617 VanDerWaalsContact C-CZ 3.43Å; D587-R617 VanDerWaalsContact O-CZ 3.25Å; D587-R617 PolarHBondContact O-NE 2.85Å; D587-R617 PolarHBondContact O-NH2 3.06Å; D587-L621 HydrophobicContact CB-CD1 3.86Å; D587-L621 HydrophobicContact CB-CD2 3.96Å; D587-L621 HydrophobicContact CB-CG 4.48Å |
| 588 | N | 72.9 | Confident | 79.7 | Confident | 156 Ų | 156 | 56.8 Ų | 56.8 | 83% | 0.834 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -2.9 | -179 | -72.8 | -12.9 | 0 | 0 | 0 | 114.2 | G585 | G585-N588 PolarHBondContact O-N 2.82Å; G585-N588 VanDerWaalsContact O-N 3.14Å |
| 589 | V | 78.6 | Confident | 79.7 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -76.9 | 142 | -176.5 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | I580 G585 A591 F594 R617 | I580-V589 HydrophobicContact CD1-CB 4.39Å; I580-V589 HydrophobicContact CD1-CG1 3.93Å; I580-V589 HydrophobicContact CD1-CG2 3.78Å; I580-V589 HydrophobicContact CG1-CG2 4.08Å; I580-V589 HydrophobicContact CG2-CG2 3.64Å; G585-V589 WeakPolarHBondContact O-CG2 3.32Å; V589-A591 PolarHBondContact O-N 2.83Å; V589-F594 HydrophobicContact CG1-CD2 3.8Å; V589-F594 HydrophobicContact CG1-CE2 3.25Å; V589-F594 HydrophobicContact CG1-CZ 4.1Å; V589-R617 VanDerWaalsContact O-CZ 3.29Å; V589-R617 PolarHBondContact O-NH1 2.94Å; V589-R617 PolarHBondContact O-NH2 3.1Å |
| 590 | S | 81.4 | Confident | 79.7 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | trans | -69.6 | 115.2 | 174 | 165.7 | 0 | 0 | 0 | 0 | 112 | R592 | S590-R592 VanDerWaalsContact C-N 3.29Å; S590-R592 PolarHBondContact O-N 2.98Å | ||
| 591 | A | 81.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -34.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V589 K593 F594 L595 F614 F627 | V589-A591 PolarHBondContact O-N 2.83Å; A591-K593 PolarHBondContact O-N 3.11Å; A591-F594 PolarHBondContact O-N 2.82Å; A591-L595 WeakPolarHBondContact O-CG 3.44Å; A591-L595 PolarHBondContact O-N 3.1Å; A591-L595 VanDerWaalsContact O-N 3.08Å; A591-F614 HydrophobicContact CB-CB 4.3Å; A591-F614 HydrophobicContact CB-CD1 3.61Å; A591-F614 HydrophobicContact CB-CD2 4.23Å; A591-F614 HydrophobicContact CB-CE1 3.92Å; A591-F614 HydrophobicContact CB-CG 3.79Å; A591-F614 HydrophobicContact CB-CZ 4.38Å; A591-F627 HydrophobicContact CB-CD1 4.02Å; A591-F627 HydrophobicContact CB-CE1 3.67Å |
| 592 | R | 83.8 | Confident | 79.3 | Confident | 108 Ų | 108 | 56.5 Ų | 56.5 | 41% | 0.408 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53.7 | -54.4 | -179.7 | -178.8 | 175.1 | 175.5 | -179.8 | 5 | 113 | S590 F594 L595 D596 | S590-R592 VanDerWaalsContact C-N 3.29Å; S590-R592 PolarHBondContact O-N 2.98Å; R592-F594 PolarHBondContact O-N 3.43Å; R592-F594 VanDerWaalsContact O-N 3.13Å; R592-L595 PolarHBondContact O-N 3.23Å; R592-D596 WeakPolarHBondContact CG-OD2 3.27Å; R592-D596 IonicContact NE-OD2 2.93Å; R592-D596 WeakPolarHBondContact O-CB 3.24Å; R592-D596 PolarHBondContact O-N 3Å |
| 593 | K | 83.6 | Confident | 79.4 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 46% | 0.457 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52 | -39.1 | 179.2 | -67.8 | -172 | 176.2 | -174.2 | 0 | 113.1 | E565 L568 A591 A597 | E565-K593 IonicContact OE1-NZ 3.82Å; E565-K593 PolarHBondContact OE1-NZ 3.39Å; L568-K593 HydrophobicContact CD1-CB 4.25Å; A591-K593 PolarHBondContact O-N 3.11Å; K593-A597 WeakPolarHBondContact O-CB 3.27Å; K593-A597 PolarHBondContact O-N 2.84Å |
| 594 | F | 83.9 | Confident | 79.6 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75.8 | -38 | 179.9 | -79.3 | -101.5 | 0 | 0 | 0 | 112.8 | V564 L568 V573 A576 L577 I580 V589 A591 R592 A598 V610 F614 | V564-F594 HydrophobicContact CG1-CE2 3.71Å; V564-F594 HydrophobicContact CG1-CZ 3.44Å; V564-F594 VanDerWaalsContact CG1-CZ 3.44Å; L568-F594 HydrophobicContact CD1-CD2 4.1Å; L568-F594 HydrophobicContact CD1-CE1 4.43Å; L568-F594 HydrophobicContact CD1-CE2 3.8Å; L568-F594 HydrophobicContact CD1-CG 4.46Å; L568-F594 HydrophobicContact CD1-CZ 3.96Å; L568-F594 HydrophobicContact CD2-CD1 3.81Å; L568-F594 HydrophobicContact CD2-CE1 3.82Å; L568-F594 HydrophobicContact CD2-CG 4.2Å; L568-F594 HydrophobicContact CD2-CZ 4.18Å; L568-F594 HydrophobicContact CG-CE1 4.44Å; L568-F594 HydrophobicContact CG-CZ 4.33Å; V573-F594 HydrophobicContact CG1-CD1 3.98Å; A576-F594 HydrophobicContact CB-CE1 3.6Å; A576-F594 HydrophobicContact CB-CZ 3.97Å; L577-F594 HydrophobicContact CD2-CD1 3.68Å; L577-F594 HydrophobicContact CD2-CE1 3.75Å; L577-F594 HydrophobicContact CD2-CG 4.48Å; L577-F594 HydrophobicContact CG-CD1 3.74Å; L577-F594 HydrophobicContact CG-CE1 3.77Å; I580-F594 HydrophobicContact CD1-CE1 3.93Å; I580-F594 HydrophobicContact CD1-CE2 3.83Å; I580-F594 HydrophobicContact CD1-CZ 3.15Å; V589-F594 HydrophobicContact CG1-CD2 3.8Å; V589-F594 HydrophobicContact CG1-CE2 3.25Å; V589-F594 HydrophobicContact CG1-CZ 4.1Å; A591-F594 PolarHBondContact O-N 2.82Å; R592-F594 PolarHBondContact O-N 3.43Å; R592-F594 VanDerWaalsContact O-N 3.13Å; F594-A598 VanDerWaalsContact O-CB 3.26Å; F594-A598 WeakPolarHBondContact O-CB 3.5Å; F594-A598 PolarHBondContact O-N 2.92Å; F594-V610 HydrophobicContact CB-CG1 4.04Å; F594-F614 HydrophobicContact CB-CE2 3.43Å; F594-F614 VanDerWaalsContact CB-CE2 3.43Å; F594-F614 HydrophobicContact CB-CZ 3.71Å; F594-F614 HydrophobicContact CD1-CE2 4.33Å; F594-F614 HydrophobicContact CD1-CZ 4.21Å; F594-F614 HydrophobicContact CD2-CE2 4.49Å; F594-F614 AromaticContact CD2-CZ 3.89Å; F594-F614 HydrophobicContact CD2-CZ 3.89Å; F594-F614 AromaticContact CG-CE2 3.84Å; F594-F614 HydrophobicContact CG-CE2 3.84Å; F594-F614 AromaticContact CG-CZ 3.65Å; F594-F614 HydrophobicContact CG-CZ 3.65Å |
| 595 | L | 83.2 | Confident | 80 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 177.3 | -68.5 | 174.8 | 0 | 0 | 0 | 111.9 | A591 R592 A598 R599 F607 V610 F611 F627 H636 | A591-L595 WeakPolarHBondContact O-CG 3.44Å; A591-L595 PolarHBondContact O-N 3.1Å; A591-L595 VanDerWaalsContact O-N 3.08Å; R592-L595 PolarHBondContact O-N 3.23Å; L595-A598 PolarHBondContact O-N 2.97Å; L595-R599 VanDerWaalsContact O-CB 3.27Å; L595-R599 WeakPolarHBondContact O-CB 3.48Å; L595-R599 PolarHBondContact O-N 3.28Å; L595-F607 HydrophobicContact CB-CE2 4.32Å; L595-F607 HydrophobicContact CD2-CE2 4.08Å; L595-F607 HydrophobicContact CD2-CZ 4.48Å; L595-V610 HydrophobicContact CD2-CG1 4.13Å; L595-F611 HydrophobicContact CD1-CD2 4.1Å; L595-F611 HydrophobicContact CD1-CE2 4.49Å; L595-F611 HydrophobicContact CD2-CB 3.89Å; L595-F611 HydrophobicContact CD2-CD2 3.74Å; L595-F611 HydrophobicContact CD2-CG 4.28Å; L595-F627 HydrophobicContact CD1-CE1 4.25Å; L595-F627 HydrophobicContact CD1-CZ 4.13Å; L595-H636 HydrophobicContact CB-CB 4.22Å; L595-H636 HydrophobicContact CD1-CB 3.94Å |
| 596 | D | 84.5 | Confident | 80.6 | Confident | 50 Ų | 50 | 61 Ų | 61 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.7 | -52.8 | 170.8 | -81.7 | -44.9 | 0 | 0 | 0 | 110.9 | R592 A598 R599 Q600 H636 | R592-D596 WeakPolarHBondContact CG-OD2 3.27Å; R592-D596 IonicContact NE-OD2 2.93Å; R592-D596 WeakPolarHBondContact O-CB 3.24Å; R592-D596 PolarHBondContact O-N 3Å; D596-A598 PolarHBondContact O-N 2.82Å; D596-R599 PolarHBondContact O-N 2.89Å; D596-Q600 WeakPolarHBondContact O-CG 3.49Å; D596-Q600 PolarHBondContact O-N 2.83Å; D596-H636 IonicContact OD1-CE1 3.09Å; D596-H636 PolarHBondContact OD1-CE1 3.37Å; D596-H636 IonicContact OD1-NE2 3.74Å; D596-H636 PolarHBondContact OD1-NE2 2.76Å; D596-H636 VanDerWaalsContact OD1-NE2 3.09Å; D596-H636 IonicContact OD2-NE2 2.74Å |
| 597 | A | 82.3 | Confident | 81.2 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L568 V573 K593 R599 Q600 T601 | L568-A597 HydrophobicContact CB-CB 4.29Å; L568-A597 HydrophobicContact CD2-CB 3.83Å; V573-A597 HydrophobicContact CG2-CB 3.99Å; K593-A597 WeakPolarHBondContact O-CB 3.27Å; K593-A597 PolarHBondContact O-N 2.84Å; A597-R599 VanDerWaalsContact C-N 3.32Å; A597-R599 PolarHBondContact O-N 2.91Å; A597-Q600 PolarHBondContact O-N 2.88Å; A597-T601 PolarHBondContact O-N 3.2Å; A597-T601 PolarHBondContact O-OG1 2.93Å |
| 598 | A | 83.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.9 | -28.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V573 F594 L595 D596 T601 F607 V610 | V573-A598 HydrophobicContact CG1-CB 4.36Å; V573-A598 HydrophobicContact CG2-CB 4.43Å; F594-A598 VanDerWaalsContact O-CB 3.26Å; F594-A598 WeakPolarHBondContact O-CB 3.5Å; F594-A598 PolarHBondContact O-N 2.92Å; L595-A598 PolarHBondContact O-N 2.97Å; D596-A598 PolarHBondContact O-N 2.82Å; A598-T601 VanDerWaalsContact C-OG1 3.22Å; A598-T601 WeakPolarHBondContact CA-OG1 3.16Å; A598-T601 PolarHBondContact O-OG1 2.82Å; A598-F607 HydrophobicContact CB-CB 4.46Å; A598-F607 HydrophobicContact CB-CD2 4.04Å; A598-V610 HydrophobicContact CB-CB 4.27Å; A598-V610 HydrophobicContact CB-CG1 4.39Å; A598-V610 HydrophobicContact CB-CG2 4.19Å |
| 599 | R | 83.1 | Confident | 82.4 | Confident | 107 Ų | 107 | 55.6 Ų | 55.6 | 40% | 0.404 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.5 | -39.6 | 173.5 | -173.3 | 178.2 | -175.4 | -168.6 | -1.6 | 111.2 | L595 D596 A597 T601 G602 F607 H639 | L595-R599 VanDerWaalsContact O-CB 3.27Å; L595-R599 WeakPolarHBondContact O-CB 3.48Å; L595-R599 PolarHBondContact O-N 3.28Å; D596-R599 PolarHBondContact O-N 2.89Å; A597-R599 VanDerWaalsContact C-N 3.32Å; A597-R599 PolarHBondContact O-N 2.91Å; R599-T601 VanDerWaalsContact C-N 3.28Å; R599-T601 PolarHBondContact O-N 2.77Å; R599-G602 PolarHBondContact O-N 2.83Å; R599-F607 HydrophobicContact CB-CD2 4.18Å; R599-F607 HydrophobicContact CB-CE2 4.15Å; R599-H639 PolarHBondContact NE-NE2 2.82Å; R599-H639 PolarHBondContact NH2-CD2 2.79Å |
| 600 | Q | 83 | Confident | 82.6 | Confident | 146 Ų | 146 | 54.4 Ų | 54.4 | 68% | 0.682 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.5 | -26.5 | 179.8 | -71.6 | 173.8 | 14.1 | 0 | 0 | 113.5 | D596 A597 G602 | D596-Q600 WeakPolarHBondContact O-CG 3.49Å; D596-Q600 PolarHBondContact O-N 2.83Å; A597-Q600 PolarHBondContact O-N 2.88Å; Q600-G602 VanDerWaalsContact C-N 3.25Å; Q600-G602 PolarHBondContact O-N 3.26Å |
| 601 | T | 79.7 | Confident | 82.7 | Confident | 36 Ų | 36 | 51.9 Ų | 51.9 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19 | 173.6 | 30.8 | 0 | 0 | 0 | 0 | 114.6 | Q571 A597 A598 R599 D603 L606 | Q571-T601 HydrophobicContact CB-CG2 3.48Å; Q571-T601 VanDerWaalsContact CB-CG2 3.48Å; Q571-T601 HydrophobicContact CG-CG2 3.75Å; A597-T601 PolarHBondContact O-N 3.2Å; A597-T601 PolarHBondContact O-OG1 2.93Å; A598-T601 VanDerWaalsContact C-OG1 3.22Å; A598-T601 WeakPolarHBondContact CA-OG1 3.16Å; A598-T601 PolarHBondContact O-OG1 2.82Å; R599-T601 VanDerWaalsContact C-N 3.28Å; R599-T601 PolarHBondContact O-N 2.77Å; T601-D603 PolarHBondContact O-N 3.14Å; T601-D603 VanDerWaalsContact O-N 3.08Å; T601-L606 HydrophobicContact CG2-CD2 4.14Å |
| 602 | G | 75.9 | Confident | 82.9 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 66% | 0.66 | 28% | 0.283 | S | S | * | . | trans | 70.4 | -5.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | R599 Q600 Q604 | R599-G602 PolarHBondContact O-N 2.83Å; Q600-G602 VanDerWaalsContact C-N 3.25Å; Q600-G602 PolarHBondContact O-N 3.26Å; G602-Q604 PolarHBondContact O-N 2.88Å | ||
| 603 | D | 84 | Confident | 82.8 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | trans | -79.9 | 108.3 | 176.3 | -178.3 | -9.5 | 0 | 0 | 0 | 111.2 | T601 M605 L606 F607 | T601-D603 PolarHBondContact O-N 3.14Å; T601-D603 VanDerWaalsContact O-N 3.08Å; D603-M605 VanDerWaalsContact C-N 3.31Å; D603-M605 PolarHBondContact O-N 2.8Å; D603-M605 WeakPolarHBondContact OD1-CB 3.21Å; D603-M605 PolarHBondContact OD1-N 2.86Å; D603-L606 HydrophobicContact CB-CB 3.8Å; D603-L606 PolarHBondContact O-N 3.01Å; D603-L606 PolarHBondContact OD1-N 3.41Å; D603-F607 PolarHBondContact O-N 2.81Å | ||
| 604 | Q | 81.4 | Confident | 82.8 | Confident | 113 Ų | 113 | 48 Ų | 48 | 53% | 0.528 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61 | -37.6 | 179.4 | -67.3 | -178.2 | -1.1 | 0 | 0 | 112.4 | G602 F607 Y608 F644 | G602-Q604 PolarHBondContact O-N 2.88Å; Q604-F607 PolarHBondContact O-N 3.31Å; Q604-Y608 WeakPolarHBondContact O-CB 3.38Å; Q604-Y608 PolarHBondContact O-N 3.17Å; Q604-F644 HydrophobicContact CB-CZ 4.02Å; Q604-F644 VanDerWaalsContact O-CZ 3.29Å; Q604-F644 WeakPolarHBondContact O-CZ 3.36Å |
| 605 | M | 82.5 | Confident | 82.7 | Confident | 123 Ų | 123 | 48.3 Ų | 48.3 | 61% | 0.606 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -73.5 | -37.3 | -177.6 | -171 | 60.7 | -175.6 | 0 | 0 | 111.4 | D603 T609 | D603-M605 VanDerWaalsContact C-N 3.31Å; D603-M605 PolarHBondContact O-N 2.8Å; D603-M605 WeakPolarHBondContact OD1-CB 3.21Å; D603-M605 PolarHBondContact OD1-N 2.86Å; M605-T609 WeakPolarHBondContact O-CB 3.33Å; M605-T609 PolarHBondContact O-N 3.43Å; M605-T609 PolarHBondContact O-OG1 2.95Å |
| 606 | L | 83.4 | Confident | 82.7 | Confident | 24 Ų | 24 | 52.2 Ų | 52.2 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 172.7 | -179.9 | 62.2 | 0 | 0 | 0 | 111 | V573 L574 T601 D603 Y608 T609 V610 | V573-L606 HydrophobicContact CG2-CD2 4.4Å; L574-L606 HydrophobicContact CD1-CD1 3.93Å; L574-L606 HydrophobicContact CD2-CD1 3.89Å; L574-L606 HydrophobicContact CG-CD1 3.55Å; T601-L606 HydrophobicContact CG2-CD2 4.14Å; D603-L606 HydrophobicContact CB-CB 3.8Å; D603-L606 PolarHBondContact O-N 3.01Å; D603-L606 PolarHBondContact OD1-N 3.41Å; L606-Y608 PolarHBondContact O-N 2.94Å; L606-T609 PolarHBondContact O-N 3.31Å; L606-V610 HydrophobicContact CD1-CG2 4.15Å; L606-V610 HydrophobicContact CG-CG2 4.48Å; L606-V610 VanDerWaalsContact O-CG2 3.25Å; L606-V610 WeakPolarHBondContact O-CG2 3.37Å; L606-V610 PolarHBondContact O-N 2.88Å |
| 607 | F | 84.1 | Confident | 82.6 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 177.2 | -176.4 | -98.3 | 0 | 0 | 0 | 111.9 | L595 A598 R599 D603 Q604 T609 V610 F611 H636 H639 F640 F644 | L595-F607 HydrophobicContact CB-CE2 4.32Å; L595-F607 HydrophobicContact CD2-CE2 4.08Å; L595-F607 HydrophobicContact CD2-CZ 4.48Å; A598-F607 HydrophobicContact CB-CB 4.46Å; A598-F607 HydrophobicContact CB-CD2 4.04Å; R599-F607 HydrophobicContact CB-CD2 4.18Å; R599-F607 HydrophobicContact CB-CE2 4.15Å; D603-F607 PolarHBondContact O-N 2.81Å; Q604-F607 PolarHBondContact O-N 3.31Å; F607-T609 VanDerWaalsContact C-N 3.34Å; F607-T609 PolarHBondContact O-N 3.14Å; F607-V610 PolarHBondContact O-N 3.29Å; F607-F611 HydrophobicContact CZ-CD2 4.39Å; F607-F611 VanDerWaalsContact O-CB 3.23Å; F607-F611 WeakPolarHBondContact O-CB 3.21Å; F607-F611 PolarHBondContact O-N 2.96Å; F607-H636 HydrophobicContact CZ-CB 4.37Å; F607-H639 AromaticContact CE1-ND1 3.75Å; F607-H639 AromaticContact CZ-ND1 3.71Å; F607-F640 HydrophobicContact CD1-CD2 4.32Å; F607-F640 HydrophobicContact CE1-CB 3.99Å; F607-F640 AromaticContact CE1-CD2 3.95Å; F607-F640 HydrophobicContact CE1-CD2 3.95Å; F607-F640 HydrophobicContact CE1-CG 4.48Å; F607-F644 HydrophobicContact CD1-CE2 4.19Å |
| 608 | Y | 83 | Confident | 82.7 | Confident | 55 Ų | 55 | 50.3 Ų | 50.3 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.9 | 179.1 | -95.6 | 0 | 0 | 0 | 112.2 | Q604 L606 F611 R612 F640 F644 | Q604-Y608 WeakPolarHBondContact O-CB 3.38Å; Q604-Y608 PolarHBondContact O-N 3.17Å; L606-Y608 PolarHBondContact O-N 2.94Å; Y608-F611 PolarHBondContact O-N 2.74Å; Y608-R612 VanDerWaalsContact O-CB 3.3Å; Y608-R612 WeakPolarHBondContact O-CB 3.4Å; Y608-R612 PolarHBondContact O-N 3.05Å; Y608-F640 AromaticContact CD2-CE2 3.49Å; Y608-F640 HydrophobicContact CD2-CE2 3.49Å; Y608-F640 VanDerWaalsContact CD2-CE2 3.49Å; Y608-F640 AromaticContact CD2-CZ 3.61Å; Y608-F640 HydrophobicContact CD2-CZ 3.61Å; Y608-F640 HydrophobicContact CE2-CE2 4.05Å; Y608-F640 AromaticContact CE2-CZ 3.67Å; Y608-F640 HydrophobicContact CE2-CZ 3.67Å; Y608-F640 HydrophobicContact CG-CE2 4.35Å; Y608-F644 HydrophobicContact CD2-CD1 4.12Å; Y608-F644 HydrophobicContact CD2-CD2 4.17Å; Y608-F644 HydrophobicContact CD2-CE1 4.32Å; Y608-F644 HydrophobicContact CD2-CE2 4.38Å; Y608-F644 HydrophobicContact CD2-CG 4.05Å; Y608-F644 HydrophobicContact CD2-CZ 4.46Å |
| 609 | T | 84.4 | Confident | 82.6 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | -178.5 | -58.1 | 0 | 0 | 0 | 0 | 112 | L574 M605 L606 F607 S613 | L574-T609 HydrophobicContact CD2-CG2 4.47Å; M605-T609 WeakPolarHBondContact O-CB 3.33Å; M605-T609 PolarHBondContact O-N 3.43Å; M605-T609 PolarHBondContact O-OG1 2.95Å; L606-T609 PolarHBondContact O-N 3.31Å; F607-T609 VanDerWaalsContact C-N 3.34Å; F607-T609 PolarHBondContact O-N 3.14Å; T609-S613 WeakPolarHBondContact O-CB 3.27Å; T609-S613 PolarHBondContact O-N 3.06Å |
| 610 | V | 83.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -47 | 177.9 | 174.8 | 0 | 0 | 0 | 0 | 110 | V573 L577 F594 L595 A598 L606 F607 R612 S613 F614 | V573-V610 HydrophobicContact CB-CG2 4.47Å; V573-V610 HydrophobicContact CG1-CG1 4.24Å; V573-V610 HydrophobicContact CG1-CG2 3.61Å; L577-V610 HydrophobicContact CD1-CB 4.47Å; L577-V610 HydrophobicContact CD1-CG1 4.29Å; L577-V610 HydrophobicContact CD1-CG2 3.96Å; F594-V610 HydrophobicContact CB-CG1 4.04Å; L595-V610 HydrophobicContact CD2-CG1 4.13Å; A598-V610 HydrophobicContact CB-CB 4.27Å; A598-V610 HydrophobicContact CB-CG1 4.39Å; A598-V610 HydrophobicContact CB-CG2 4.19Å; L606-V610 HydrophobicContact CD1-CG2 4.15Å; L606-V610 HydrophobicContact CG-CG2 4.48Å; L606-V610 VanDerWaalsContact O-CG2 3.25Å; L606-V610 WeakPolarHBondContact O-CG2 3.37Å; L606-V610 PolarHBondContact O-N 2.88Å; F607-V610 PolarHBondContact O-N 3.29Å; V610-R612 PolarHBondContact O-N 2.89Å; V610-S613 WeakPolarHBondContact O-CB 3.17Å; V610-S613 PolarHBondContact O-N 3.04Å; V610-S613 VanDerWaalsContact O-N 3.14Å; V610-S613 PolarHBondContact O-OG 3.33Å; V610-F614 HydrophobicContact CG1-CD2 4.06Å; V610-F614 HydrophobicContact CG1-CE2 3.81Å; V610-F614 VanDerWaalsContact O-CD2 3.3Å; V610-F614 WeakPolarHBondContact O-CD2 3.41Å; V610-F614 PolarHBondContact O-N 3.33Å |
| 611 | F | 83.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 177.6 | -169.1 | -87 | 0 | 0 | 0 | 112.2 | L595 F607 Y608 S613 F614 Q615 F627 V637 F640 L649 | L595-F611 HydrophobicContact CD1-CD2 4.1Å; L595-F611 HydrophobicContact CD1-CE2 4.49Å; L595-F611 HydrophobicContact CD2-CB 3.89Å; L595-F611 HydrophobicContact CD2-CD2 3.74Å; L595-F611 HydrophobicContact CD2-CG 4.28Å; F607-F611 HydrophobicContact CZ-CD2 4.39Å; F607-F611 VanDerWaalsContact O-CB 3.23Å; F607-F611 WeakPolarHBondContact O-CB 3.21Å; F607-F611 PolarHBondContact O-N 2.96Å; Y608-F611 PolarHBondContact O-N 2.74Å; F611-S613 VanDerWaalsContact C-N 3.3Å; F611-S613 PolarHBondContact O-N 3.19Å; F611-F614 PolarHBondContact O-N 3.3Å; F611-Q615 HydrophobicContact CD1-CG 4.07Å; F611-Q615 VanDerWaalsContact CE1-CD 3.49Å; F611-Q615 HydrophobicContact CE1-CG 3.93Å; F611-Q615 PolarHBondContact O-N 2.89Å; F611-F627 HydrophobicContact CD2-CE2 4.24Å; F611-F627 HydrophobicContact CD2-CZ 4.33Å; F611-F627 HydrophobicContact CE1-CE2 4.19Å; F611-F627 AromaticContact CE2-CE2 3.65Å; F611-F627 HydrophobicContact CE2-CE2 3.65Å; F611-F627 HydrophobicContact CE2-CZ 4.18Å; F611-F627 HydrophobicContact CZ-CD2 4.48Å; F611-F627 AromaticContact CZ-CE2 3.64Å; F611-F627 HydrophobicContact CZ-CE2 3.64Å; F611-F627 HydrophobicContact CZ-CZ 4.46Å; F611-V637 HydrophobicContact CE2-CG2 4.09Å; F611-V637 HydrophobicContact CZ-CG2 4.03Å; F611-F640 HydrophobicContact CB-CD2 3.89Å; F611-F640 HydrophobicContact CB-CE2 3.97Å; F611-F640 HydrophobicContact CD1-CD1 4.19Å; F611-F640 AromaticContact CD1-CD2 3.39Å; F611-F640 HydrophobicContact CD1-CD2 3.39Å; F611-F640 HydrophobicContact CD1-CE1 4.21Å; F611-F640 AromaticContact CD1-CE2 3.4Å; F611-F640 HydrophobicContact CD1-CE2 3.4Å; F611-F640 AromaticContact CD1-CG 3.81Å; F611-F640 HydrophobicContact CD1-CG 3.81Å; F611-F640 AromaticContact CD1-CZ 3.83Å; F611-F640 HydrophobicContact CD1-CZ 3.83Å; F611-F640 HydrophobicContact CD2-CB 4.22Å; F611-F640 AromaticContact CD2-CD2 3.96Å; F611-F640 HydrophobicContact CD2-CD2 3.96Å; F611-F640 HydrophobicContact CD2-CG 4.25Å; F611-F640 HydrophobicContact CE1-CB 4.24Å; F611-F640 AromaticContact CE1-CD1 3.78Å; F611-F640 HydrophobicContact CE1-CD1 3.78Å; F611-F640 AromaticContact CE1-CD2 3.78Å; F611-F640 HydrophobicContact CE1-CD2 3.78Å; F611-F640 HydrophobicContact CE1-CE1 4.01Å; F611-F640 AromaticContact CE1-CE2 4Å; F611-F640 HydrophobicContact CE1-CE2 4Å; F611-F640 AromaticContact CE1-CG 3.66Å; F611-F640 HydrophobicContact CE1-CG 3.66Å; F611-F640 HydrophobicContact CE1-CZ 4.11Å; F611-F640 HydrophobicContact CE2-CB 3.88Å; F611-F640 HydrophobicContact CE2-CD2 4.31Å; F611-F640 HydrophobicContact CE2-CG 4.14Å; F611-F640 AromaticContact CG-CD2 3.48Å; F611-F640 HydrophobicContact CG-CD2 3.48Å; F611-F640 VanDerWaalsContact CG-CD2 3.48Å; F611-F640 AromaticContact CG-CE2 3.8Å; F611-F640 HydrophobicContact CG-CE2 3.8Å; F611-F640 HydrophobicContact CG-CG 4.09Å; F611-F640 HydrophobicContact CZ-CB 3.88Å; F611-F640 HydrophobicContact CZ-CD1 4.16Å; F611-F640 HydrophobicContact CZ-CD2 4.22Å; F611-F640 AromaticContact CZ-CG 3.83Å; F611-F640 HydrophobicContact CZ-CG 3.83Å; F611-L649 HydrophobicContact CE1-CD2 3.75Å; F611-L649 HydrophobicContact CZ-CD2 4.06Å |
| 612 | R | 83.8 | Confident | 82.3 | Confident | 121 Ų | 121 | 54.5 Ų | 54.5 | 46% | 0.457 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 176.6 | -165.3 | 175.2 | -170.6 | -174.2 | 3.9 | 112.4 | Y608 V610 F614 Q615 Q616 | Y608-R612 VanDerWaalsContact O-CB 3.3Å; Y608-R612 WeakPolarHBondContact O-CB 3.4Å; Y608-R612 PolarHBondContact O-N 3.05Å; V610-R612 PolarHBondContact O-N 2.89Å; R612-F614 VanDerWaalsContact C-N 3.34Å; R612-F614 PolarHBondContact O-N 2.92Å; R612-Q615 PolarHBondContact O-N 3.25Å; R612-Q616 WeakPolarHBondContact O-CG 3.33Å; R612-Q616 PolarHBondContact O-N 3.15Å |
| 613 | S | 83.3 | Confident | 82.2 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 177.8 | 80.7 | 0 | 0 | 0 | 0 | 112.7 | T609 V610 F611 R617 | T609-S613 WeakPolarHBondContact O-CB 3.27Å; T609-S613 PolarHBondContact O-N 3.06Å; V610-S613 WeakPolarHBondContact O-CB 3.17Å; V610-S613 PolarHBondContact O-N 3.04Å; V610-S613 VanDerWaalsContact O-N 3.14Å; V610-S613 PolarHBondContact O-OG 3.33Å; F611-S613 VanDerWaalsContact C-N 3.3Å; F611-S613 PolarHBondContact O-N 3.19Å; S613-R617 PolarHBondContact O-N 3.26Å; S613-R617 VanDerWaalsContact O-N 3.11Å |
| 614 | F | 83.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.1 | -33.4 | 174.2 | -73.5 | -74.6 | 0 | 0 | 0 | 112.6 | L577 A591 F594 V610 F611 R612 Q616 R617 N618 F627 | L577-F614 HydrophobicContact CD2-CE2 4.09Å; L577-F614 HydrophobicContact CD2-CZ 3.91Å; A591-F614 HydrophobicContact CB-CB 4.3Å; A591-F614 HydrophobicContact CB-CD1 3.61Å; A591-F614 HydrophobicContact CB-CD2 4.23Å; A591-F614 HydrophobicContact CB-CE1 3.92Å; A591-F614 HydrophobicContact CB-CG 3.79Å; A591-F614 HydrophobicContact CB-CZ 4.38Å; F594-F614 HydrophobicContact CB-CE2 3.43Å; F594-F614 VanDerWaalsContact CB-CE2 3.43Å; F594-F614 HydrophobicContact CB-CZ 3.71Å; F594-F614 HydrophobicContact CD1-CE2 4.33Å; F594-F614 HydrophobicContact CD1-CZ 4.21Å; F594-F614 HydrophobicContact CD2-CE2 4.49Å; F594-F614 AromaticContact CD2-CZ 3.89Å; F594-F614 HydrophobicContact CD2-CZ 3.89Å; F594-F614 AromaticContact CG-CE2 3.84Å; F594-F614 HydrophobicContact CG-CE2 3.84Å; F594-F614 AromaticContact CG-CZ 3.65Å; F594-F614 HydrophobicContact CG-CZ 3.65Å; V610-F614 HydrophobicContact CG1-CD2 4.06Å; V610-F614 HydrophobicContact CG1-CE2 3.81Å; V610-F614 VanDerWaalsContact O-CD2 3.3Å; V610-F614 WeakPolarHBondContact O-CD2 3.41Å; V610-F614 PolarHBondContact O-N 3.33Å; F611-F614 PolarHBondContact O-N 3.3Å; R612-F614 VanDerWaalsContact C-N 3.34Å; R612-F614 PolarHBondContact O-N 2.92Å; F614-Q616 VanDerWaalsContact C-N 3.32Å; F614-Q616 PolarHBondContact O-N 2.84Å; F614-R617 WeakPolarHBondContact O-CB 3.11Å; F614-R617 PolarHBondContact O-N 3.32Å; F614-N618 WeakPolarHBondContact O-CB 3.49Å; F614-N618 PolarHBondContact O-N 3.43Å; F614-N618 PolarHBondContact O-ND2 2.99Å; F614-N618 PolarHBondContact O-OD1 3.32Å; F614-F627 HydrophobicContact CB-CE1 3.67Å; F614-F627 HydrophobicContact CB-CZ 3.86Å; F614-F627 HydrophobicContact CG-CE1 4.49Å |
| 615 | Q | 81.8 | Confident | 81.7 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 170.4 | -73 | -168.7 | -46.3 | 0 | 0 | 111.9 | F611 R612 R617 N618 Q619 P625 F627 M650 | F611-Q615 HydrophobicContact CD1-CG 4.07Å; F611-Q615 VanDerWaalsContact CE1-CD 3.49Å; F611-Q615 HydrophobicContact CE1-CG 3.93Å; F611-Q615 PolarHBondContact O-N 2.89Å; R612-Q615 PolarHBondContact O-N 3.25Å; Q615-R617 VanDerWaalsContact C-N 3.33Å; Q615-R617 PolarHBondContact O-N 3.49Å; Q615-N618 PolarHBondContact O-N 3.15Å; Q615-Q619 WeakPolarHBondContact O-CB 3.26Å; Q615-Q619 PolarHBondContact O-N 3.22Å; Q615-P625 HydrophobicContact CB-CB 4.26Å; Q615-F627 HydrophobicContact CG-CE2 4.26Å; Q615-F627 HydrophobicContact CG-CZ 4.49Å; Q615-M650 HydrophobicContact CB-CB 4.18Å; Q615-M650 HydrophobicContact CB-SD 4.22Å |
| 616 | Q | 82.9 | Confident | 81.5 | Confident | 81 Ų | 81 | 44.8 Ų | 44.8 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65 | -35.3 | 175.1 | -73.2 | 175.7 | -3.4 | 0 | 0 | 112.6 | R612 F614 R620 M650 | R612-Q616 WeakPolarHBondContact O-CG 3.33Å; R612-Q616 PolarHBondContact O-N 3.15Å; F614-Q616 VanDerWaalsContact C-N 3.32Å; F614-Q616 PolarHBondContact O-N 2.84Å; Q616-R620 WeakPolarHBondContact O-CB 3.29Å; Q616-R620 PolarHBondContact O-N 3.38Å; Q616-M650 HydrophobicContact CG-CE 4.24Å; Q616-M650 HydrophobicContact CG-SD 3.91Å |
| 617 | R | 81.9 | Confident | 81.3 | Confident | 16 Ų | 16 | 45 Ų | 45 | 6% | 0.06 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -50.3 | 171.8 | 178.4 | -178.2 | 154.5 | -167.4 | -14.5 | 111.4 | H586 D587 V589 S613 F614 Q615 Q619 R620 L621 | H586-R617 WeakPolarHBondContact O-CD 3.45Å; H586-R617 PolarHBondContact O-NE 2.78Å; H586-R617 PolarHBondContact O-NH1 3.35Å; D587-R617 VanDerWaalsContact C-CZ 3.43Å; D587-R617 VanDerWaalsContact O-CZ 3.25Å; D587-R617 PolarHBondContact O-NE 2.85Å; D587-R617 PolarHBondContact O-NH2 3.06Å; V589-R617 VanDerWaalsContact O-CZ 3.29Å; V589-R617 PolarHBondContact O-NH1 2.94Å; V589-R617 PolarHBondContact O-NH2 3.1Å; S613-R617 PolarHBondContact O-N 3.26Å; S613-R617 VanDerWaalsContact O-N 3.11Å; F614-R617 WeakPolarHBondContact O-CB 3.11Å; F614-R617 PolarHBondContact O-N 3.32Å; Q615-R617 VanDerWaalsContact C-N 3.33Å; Q615-R617 PolarHBondContact O-N 3.49Å; R617-Q619 VanDerWaalsContact C-N 3.29Å; R617-Q619 PolarHBondContact O-N 2.98Å; R617-R620 WeakPolarHBondContact O-CB 3.31Å; R617-R620 PolarHBondContact O-N 2.83Å; R617-R620 VanDerWaalsContact O-N 3.07Å; R617-L621 HydrophobicContact CG-CD1 3.69Å; R617-L621 HydrophobicContact CG-CG 4.32Å; R617-L621 WeakPolarHBondContact O-CG 3.44Å; R617-L621 PolarHBondContact O-N 3.05Å |
| 618 | N | 83.4 | Confident | 81 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.011 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -42.9 | -179.7 | -66.5 | -12.9 | 0 | 0 | 0 | 110.8 | F614 Q615 R620 L621 R622 N624 P625 S626 F627 | F614-N618 WeakPolarHBondContact O-CB 3.49Å; F614-N618 PolarHBondContact O-N 3.43Å; F614-N618 PolarHBondContact O-ND2 2.99Å; F614-N618 PolarHBondContact O-OD1 3.32Å; Q615-N618 PolarHBondContact O-N 3.15Å; N618-R620 VanDerWaalsContact C-N 3.33Å; N618-R620 PolarHBondContact O-N 2.99Å; N618-L621 PolarHBondContact O-N 2.83Å; N618-R622 VanDerWaalsContact CG-NH2 3.28Å; N618-R622 WeakPolarHBondContact O-CB 3.36Å; N618-R622 PolarHBondContact O-N 2.75Å; N618-R622 PolarHBondContact OD1-NH2 3.04Å; N618-N624 CarbonylContact C-O 3.09Å; N618-N624 WeakPolarHBondContact CB-O 3.38Å; N618-N624 VanDerWaalsContact O-O 3.13Å; N618-P625 PolarHBondContact ND2-O 2.94Å; N618-S626 PolarHBondContact ND2-O 3.19Å; N618-F627 WeakPolarHBondContact ND2-CD1 3.34Å |
| 619 | Q | 82 | Confident | 80.3 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 13% | 0.131 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59 | -41.9 | 173.8 | -175.4 | 60.3 | 58.3 | 0 | 0 | 112.3 | Q615 R617 G623 N624 M650 S653 | Q615-Q619 WeakPolarHBondContact O-CB 3.26Å; Q615-Q619 PolarHBondContact O-N 3.22Å; R617-Q619 VanDerWaalsContact C-N 3.29Å; R617-Q619 PolarHBondContact O-N 2.98Å; Q619-G623 PolarHBondContact NE2-O 3.22Å; Q619-G623 WeakPolarHBondContact O-CA 3.35Å; Q619-G623 PolarHBondContact O-N 2.98Å; Q619-N624 PolarHBondContact N-O 3.17Å; Q619-M650 HydrophobicContact CB-CE 4.33Å; Q619-M650 HydrophobicContact CG-CE 4.09Å; Q619-S653 PolarHBondContact NE2-OG 2.88Å |
| 620 | R | 81.5 | Confident | 79.4 | Confident | 171 Ų | 171 | 50.6 Ų | 50.6 | 65% | 0.645 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -69.1 | -41.6 | 178.5 | -171.5 | -170.6 | -53.2 | 176.9 | 1.6 | 112.8 | Q616 R617 N618 | Q616-R620 WeakPolarHBondContact O-CB 3.29Å; Q616-R620 PolarHBondContact O-N 3.38Å; R617-R620 WeakPolarHBondContact O-CB 3.31Å; R617-R620 PolarHBondContact O-N 2.83Å; R617-R620 VanDerWaalsContact O-N 3.07Å; N618-R620 VanDerWaalsContact C-N 3.33Å; N618-R620 PolarHBondContact O-N 2.99Å |
| 621 | L | 78.9 | Confident | 78.7 | Confident | 84 Ų | 84 | 52.7 Ų | 52.7 | 44% | 0.44 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81.9 | -37.1 | -175 | -69.6 | 174.4 | 0 | 0 | 0 | 113.2 | D587 R617 N618 | D587-L621 HydrophobicContact CB-CD1 3.86Å; D587-L621 HydrophobicContact CB-CD2 3.96Å; D587-L621 HydrophobicContact CB-CG 4.48Å; R617-L621 HydrophobicContact CG-CD1 3.69Å; R617-L621 HydrophobicContact CG-CG 4.32Å; R617-L621 WeakPolarHBondContact O-CG 3.44Å; R617-L621 PolarHBondContact O-N 3.05Å; N618-L621 PolarHBondContact O-N 2.83Å |
| 622 | R | 78.6 | Confident | 78.4 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -121.9 | -5.5 | -169.4 | -60.5 | -171.5 | -72.8 | -128.4 | 3.7 | 113.9 | N618 N624 S626 N628 E631 | N618-R622 VanDerWaalsContact CG-NH2 3.28Å; N618-R622 WeakPolarHBondContact O-CB 3.36Å; N618-R622 PolarHBondContact O-N 2.75Å; N618-R622 PolarHBondContact OD1-NH2 3.04Å; R622-N624 PolarHBondContact O-N 3.4Å; R622-N624 VanDerWaalsContact O-N 3.17Å; R622-S626 PolarHBondContact NH2-O 3Å; R622-N628 VanDerWaalsContact CZ-OD1 3.3Å; R622-N628 PolarHBondContact NH1-ND2 2.83Å; R622-N628 PolarHBondContact NH1-OD1 3.11Å; R622-E631 IonicContact CZ-OE1 2.73Å; R622-E631 IonicContact NH1-OE1 3.09Å; R622-E631 PolarHBondContact NH1-OE1 2.82Å; R622-E631 IonicContact NH2-OE1 2.68Å |
| 623 | G | 74.7 | Confident | 78.2 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 69.3 | 4.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q619 | Q619-G623 PolarHBondContact NE2-O 3.22Å; Q619-G623 WeakPolarHBondContact O-CA 3.35Å; Q619-G623 PolarHBondContact O-N 2.98Å |
| 624 | N | 78.2 | Confident | 78 | Confident | 70 Ų | 70 | 58.6 Ų | 58.6 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | trans | -133.2 | 127.3 | -178.1 | -175.7 | -17.8 | 0 | 0 | 0 | 109.4 | N618 Q619 R622 S626 | N618-N624 CarbonylContact C-O 3.09Å; N618-N624 WeakPolarHBondContact CB-O 3.38Å; N618-N624 VanDerWaalsContact O-O 3.13Å; Q619-N624 PolarHBondContact N-O 3.17Å; R622-N624 PolarHBondContact O-N 3.4Å; R622-N624 VanDerWaalsContact O-N 3.17Å; N624-S626 PolarHBondContact O-N 2.73Å; N624-S626 WeakPolarHBondContact OD1-CB 3.28Å; N624-S626 PolarHBondContact OD1-N 2.88Å; N624-S626 PolarHBondContact OD1-OG 3.06Å | ||
| 625 | P | 76.5 | Confident | 77.8 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | trans | -76.5 | -6.6 | -176.6 | 29.2 | -29.4 | 0 | 0 | 0 | 113.1 | Q615 N618 M650 | Q615-P625 HydrophobicContact CB-CB 4.26Å; N618-P625 PolarHBondContact ND2-O 2.94Å; P625-M650 HydrophobicContact CB-CB 4.02Å; P625-M650 HydrophobicContact CB-CG 4.24Å; P625-M650 HydrophobicContact CG-CB 4.41Å; P625-M650 WeakPolarHBondContact CG-O 3.15Å | ||
| 626 | S | 77.9 | Confident | 77.8 | Confident | 66 Ų | 66 | 65 Ų | 65 | 46% | 0.462 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -67.5 | 144.1 | -179.1 | -51 | 0 | 0 | 0 | 0 | 112.4 | N618 R622 N624 | N618-S626 PolarHBondContact ND2-O 3.19Å; R622-S626 PolarHBondContact NH2-O 3Å; N624-S626 PolarHBondContact O-N 2.73Å; N624-S626 WeakPolarHBondContact OD1-CB 3.28Å; N624-S626 PolarHBondContact OD1-N 2.88Å; N624-S626 PolarHBondContact OD1-OG 3.06Å |
| 627 | F | 80.4 | Confident | 77.6 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 13% | 0.127 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 142.1 | 171.2 | -65.4 | -85.8 | 0 | 0 | 0 | 109.9 | A591 L595 F611 F614 Q615 N618 C633 V637 | A591-F627 HydrophobicContact CB-CD1 4.02Å; A591-F627 HydrophobicContact CB-CE1 3.67Å; L595-F627 HydrophobicContact CD1-CE1 4.25Å; L595-F627 HydrophobicContact CD1-CZ 4.13Å; F611-F627 HydrophobicContact CD2-CE2 4.24Å; F611-F627 HydrophobicContact CD2-CZ 4.33Å; F611-F627 HydrophobicContact CE1-CE2 4.19Å; F611-F627 AromaticContact CE2-CE2 3.65Å; F611-F627 HydrophobicContact CE2-CE2 3.65Å; F611-F627 HydrophobicContact CE2-CZ 4.18Å; F611-F627 HydrophobicContact CZ-CD2 4.48Å; F611-F627 AromaticContact CZ-CE2 3.64Å; F611-F627 HydrophobicContact CZ-CE2 3.64Å; F611-F627 HydrophobicContact CZ-CZ 4.46Å; F614-F627 HydrophobicContact CB-CE1 3.67Å; F614-F627 HydrophobicContact CB-CZ 3.86Å; F614-F627 HydrophobicContact CG-CE1 4.49Å; Q615-F627 HydrophobicContact CG-CE2 4.26Å; Q615-F627 HydrophobicContact CG-CZ 4.49Å; N618-F627 WeakPolarHBondContact ND2-CD1 3.34Å; F627-C633 HydrophobicContact CB-CB 3.95Å; F627-C633 HydrophobicContact CD1-CB 4.08Å; F627-C633 HydrophobicContact CD2-CB 4.46Å; F627-C633 HydrophobicContact CG-CB 3.91Å; F627-V637 HydrophobicContact CD2-CG2 3.78Å; F627-V637 HydrophobicContact CE2-CG2 4.27Å |
| 628 | N | 76.7 | Confident | 77.5 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 40% | 0.401 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 142.8 | 176.9 | -89.2 | 4 | 0 | 0 | 0 | 110.3 | R622 G630 E631 | R622-N628 VanDerWaalsContact CZ-OD1 3.3Å; R622-N628 PolarHBondContact NH1-ND2 2.83Å; R622-N628 PolarHBondContact NH1-OD1 3.11Å; N628-G630 PolarHBondContact O-N 2.66Å; N628-G630 VanDerWaalsContact O-N 3.16Å; N628-E631 HydrophobicContact CB-CG 4.2Å; N628-E631 WeakPolarHBondContact O-CB 3.42Å; N628-E631 PolarHBondContact O-N 2.93Å |
| 629 | P | 67.9 | Low | 77.4 | Confident | 96 Ų | 96 | 66.4 Ų | 66.4 | 62% | 0.623 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -55.4 | -33.1 | 175.8 | -26.3 | 34.3 | 0 | 0 | 0 | 113.3 | E631 H632 | P629-E631 VanDerWaalsContact C-N 3.26Å; P629-E631 PolarHBondContact O-N 3.39Å; P629-H632 PolarHBondContact O-N 2.81Å |
| 630 | G | 66.3 | Low | 77.4 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -70.4 | -9.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | N628 | N628-G630 PolarHBondContact O-N 2.66Å; N628-G630 VanDerWaalsContact O-N 3.16Å |
| 631 | E | 68.3 | Low | 77.4 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -88.4 | -7.8 | 174.9 | -66.1 | 170.6 | -152.9 | 0 | 0 | 112.2 | R622 N628 P629 C633 | R622-E631 IonicContact CZ-OE1 2.73Å; R622-E631 IonicContact NH1-OE1 3.09Å; R622-E631 PolarHBondContact NH1-OE1 2.82Å; R622-E631 IonicContact NH2-OE1 2.68Å; N628-E631 HydrophobicContact CB-CG 4.2Å; N628-E631 WeakPolarHBondContact O-CB 3.42Å; N628-E631 PolarHBondContact O-N 2.93Å; P629-E631 VanDerWaalsContact C-N 3.26Å; P629-E631 PolarHBondContact O-N 3.39Å; E631-C633 VanDerWaalsContact C-N 3.31Å; E631-C633 PolarHBondContact O-N 3.04Å |
| 632 | H | 76.7 | Confident | 77.5 | Confident | 118 Ų | 118 | 64.5 Ų | 64.5 | 55% | 0.546 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 37.8 | 178.8 | -59.2 | -66.3 | 0 | 0 | 0 | 114.9 | P629 | P629-H632 PolarHBondContact O-N 2.81Š|
| 633 | C | 80.6 | Confident | 77.5 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | trans | -90.2 | 7.7 | -179.2 | -66.2 | 0 | 0 | 0 | 0 | 114.4 | F627 E631 E635 H636 V637 | F627-C633 HydrophobicContact CB-CB 3.95Å; F627-C633 HydrophobicContact CD1-CB 4.08Å; F627-C633 HydrophobicContact CD2-CB 4.46Å; F627-C633 HydrophobicContact CG-CB 3.91Å; E631-C633 VanDerWaalsContact C-N 3.31Å; E631-C633 PolarHBondContact O-N 3.04Å; C633-E635 PolarHBondContact O-N 3.36Å; C633-H636 WeakPolarHBondContact O-CB 3.45Å; C633-H636 PolarHBondContact O-N 3.03Å; C633-H636 VanDerWaalsContact O-N 3.09Å; C633-V637 WeakPolarHBondContact O-CG2 3.18Å; C633-V637 PolarHBondContact O-N 3.48Å | ||
| 634 | E | 78.8 | Confident | 77.8 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.2 | -42.4 | -171.4 | -64.2 | 176.2 | -174.3 | 0 | 0 | 113.2 | H636 V637 A638 | E634-H636 VanDerWaalsContact C-N 3.31Å; E634-H636 PolarHBondContact O-N 3.2Å; E634-V637 PolarHBondContact O-N 2.73Å; E634-A638 PolarHBondContact O-N 3.01Å |
| 635 | E | 80.8 | Confident | 77.7 | Confident | 142 Ų | 142 | 62.3 Ų | 62.3 | 66% | 0.664 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.1 | -37.1 | 176.7 | -65.5 | -171.7 | 172.4 | 0 | 0 | 112.2 | C633 A638 H639 | C633-E635 PolarHBondContact O-N 3.36Å; E635-A638 PolarHBondContact O-N 2.98Å; E635-H639 WeakPolarHBondContact O-CB 3.44Å; E635-H639 PolarHBondContact O-N 3.46Å |
| 636 | H | 80.5 | Confident | 77.5 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.009 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.5 | -33.4 | 176.9 | -61.6 | -62.6 | 0 | 0 | 0 | 112.3 | L595 D596 F607 C633 E634 H639 F640 | L595-H636 HydrophobicContact CB-CB 4.22Å; L595-H636 HydrophobicContact CD1-CB 3.94Å; D596-H636 IonicContact OD1-CE1 3.09Å; D596-H636 PolarHBondContact OD1-CE1 3.37Å; D596-H636 IonicContact OD1-NE2 3.74Å; D596-H636 PolarHBondContact OD1-NE2 2.76Å; D596-H636 VanDerWaalsContact OD1-NE2 3.09Å; D596-H636 IonicContact OD2-NE2 2.74Å; F607-H636 HydrophobicContact CZ-CB 4.37Å; C633-H636 WeakPolarHBondContact O-CB 3.45Å; C633-H636 PolarHBondContact O-N 3.03Å; C633-H636 VanDerWaalsContact O-N 3.09Å; E634-H636 VanDerWaalsContact C-N 3.31Å; E634-H636 PolarHBondContact O-N 3.2Å; H636-H639 PolarHBondContact O-N 3.49Å; H636-F640 WeakPolarHBondContact O-CB 3.07Å; H636-F640 PolarHBondContact O-N 3.14Å |
| 637 | V | 79.9 | Confident | 77.1 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 22% | 0.218 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 173.9 | 176 | 0 | 0 | 0 | 0 | 110.2 | F611 F627 C633 E634 F640 K641 | F611-V637 HydrophobicContact CE2-CG2 4.09Å; F611-V637 HydrophobicContact CZ-CG2 4.03Å; F627-V637 HydrophobicContact CD2-CG2 3.78Å; F627-V637 HydrophobicContact CE2-CG2 4.27Å; C633-V637 WeakPolarHBondContact O-CG2 3.18Å; C633-V637 PolarHBondContact O-N 3.48Å; E634-V637 PolarHBondContact O-N 2.73Å; V637-F640 PolarHBondContact O-N 3.25Å; V637-K641 WeakPolarHBondContact O-CG 3.31Å; V637-K641 PolarHBondContact O-N 2.87Å |
| 638 | A | 79.9 | Confident | 76.6 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 49% | 0.488 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E634 E635 F640 K641 Q642 | E634-A638 PolarHBondContact O-N 3.01Å; E635-A638 PolarHBondContact O-N 2.98Å; A638-F640 PolarHBondContact O-N 3.26Å; A638-K641 PolarHBondContact O-N 2.78Å; A638-Q642 PolarHBondContact O-N 3.01Å |
| 639 | H | 80.7 | Confident | 76.6 | Confident | 35 Ų | 35 | 73 Ų | 73 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 175.6 | -173.9 | -107 | 0 | 0 | 0 | 112.7 | R599 F607 E635 H636 Q642 L643 | R599-H639 PolarHBondContact NE-NE2 2.82Å; R599-H639 PolarHBondContact NH2-CD2 2.79Å; F607-H639 AromaticContact CE1-ND1 3.75Å; F607-H639 AromaticContact CZ-ND1 3.71Å; E635-H639 WeakPolarHBondContact O-CB 3.44Å; E635-H639 PolarHBondContact O-N 3.46Å; H636-H639 PolarHBondContact O-N 3.49Å; H639-Q642 PolarHBondContact O-N 2.93Å; H639-L643 WeakPolarHBondContact CE1-CD1 3.14Å; H639-L643 WeakPolarHBondContact O-CG 3.34Å; H639-L643 PolarHBondContact O-N 3.18Å; H639-L643 VanDerWaalsContact O-N 3.07Å |
| 640 | F | 82.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.7 | -174.7 | -86.9 | 0 | 0 | 0 | 111.9 | F607 Y608 F611 H636 V637 A638 Q642 L643 F644 A648 L649 | F607-F640 HydrophobicContact CD1-CD2 4.32Å; F607-F640 HydrophobicContact CE1-CB 3.99Å; F607-F640 AromaticContact CE1-CD2 3.95Å; F607-F640 HydrophobicContact CE1-CD2 3.95Å; F607-F640 HydrophobicContact CE1-CG 4.48Å; Y608-F640 AromaticContact CD2-CE2 3.49Å; Y608-F640 HydrophobicContact CD2-CE2 3.49Å; Y608-F640 VanDerWaalsContact CD2-CE2 3.49Å; Y608-F640 AromaticContact CD2-CZ 3.61Å; Y608-F640 HydrophobicContact CD2-CZ 3.61Å; Y608-F640 HydrophobicContact CE2-CE2 4.05Å; Y608-F640 AromaticContact CE2-CZ 3.67Å; Y608-F640 HydrophobicContact CE2-CZ 3.67Å; Y608-F640 HydrophobicContact CG-CE2 4.35Å; F611-F640 HydrophobicContact CB-CD2 3.89Å; F611-F640 HydrophobicContact CB-CE2 3.97Å; F611-F640 HydrophobicContact CD1-CD1 4.19Å; F611-F640 AromaticContact CD1-CD2 3.39Å; F611-F640 HydrophobicContact CD1-CD2 3.39Å; F611-F640 HydrophobicContact CD1-CE1 4.21Å; F611-F640 AromaticContact CD1-CE2 3.4Å; F611-F640 HydrophobicContact CD1-CE2 3.4Å; F611-F640 AromaticContact CD1-CG 3.81Å; F611-F640 HydrophobicContact CD1-CG 3.81Å; F611-F640 AromaticContact CD1-CZ 3.83Å; F611-F640 HydrophobicContact CD1-CZ 3.83Å; F611-F640 HydrophobicContact CD2-CB 4.22Å; F611-F640 AromaticContact CD2-CD2 3.96Å; F611-F640 HydrophobicContact CD2-CD2 3.96Å; F611-F640 HydrophobicContact CD2-CG 4.25Å; F611-F640 HydrophobicContact CE1-CB 4.24Å; F611-F640 AromaticContact CE1-CD1 3.78Å; F611-F640 HydrophobicContact CE1-CD1 3.78Å; F611-F640 AromaticContact CE1-CD2 3.78Å; F611-F640 HydrophobicContact CE1-CD2 3.78Å; F611-F640 HydrophobicContact CE1-CE1 4.01Å; F611-F640 AromaticContact CE1-CE2 4Å; F611-F640 HydrophobicContact CE1-CE2 4Å; F611-F640 AromaticContact CE1-CG 3.66Å; F611-F640 HydrophobicContact CE1-CG 3.66Å; F611-F640 HydrophobicContact CE1-CZ 4.11Å; F611-F640 HydrophobicContact CE2-CB 3.88Å; F611-F640 HydrophobicContact CE2-CD2 4.31Å; F611-F640 HydrophobicContact CE2-CG 4.14Å; F611-F640 AromaticContact CG-CD2 3.48Å; F611-F640 HydrophobicContact CG-CD2 3.48Å; F611-F640 VanDerWaalsContact CG-CD2 3.48Å; F611-F640 AromaticContact CG-CE2 3.8Å; F611-F640 HydrophobicContact CG-CE2 3.8Å; F611-F640 HydrophobicContact CG-CG 4.09Å; F611-F640 HydrophobicContact CZ-CB 3.88Å; F611-F640 HydrophobicContact CZ-CD1 4.16Å; F611-F640 HydrophobicContact CZ-CD2 4.22Å; F611-F640 AromaticContact CZ-CG 3.83Å; F611-F640 HydrophobicContact CZ-CG 3.83Å; H636-F640 WeakPolarHBondContact O-CB 3.07Å; H636-F640 PolarHBondContact O-N 3.14Å; V637-F640 PolarHBondContact O-N 3.25Å; A638-F640 PolarHBondContact O-N 3.26Å; F640-Q642 VanDerWaalsContact C-N 3.31Å; F640-Q642 PolarHBondContact O-N 3.33Å; F640-L643 PolarHBondContact O-N 3.11Å; F640-F644 AromaticContact CD2-CD2 3.75Å; F640-F644 HydrophobicContact CD2-CD2 3.75Å; F640-F644 HydrophobicContact CD2-CE2 4.2Å; F640-F644 HydrophobicContact CE1-CB 4.36Å; F640-F644 AromaticContact CE2-CD2 3.79Å; F640-F644 HydrophobicContact CE2-CD2 3.79Å; F640-F644 HydrophobicContact CE2-CE2 4.32Å; F640-F644 HydrophobicContact CE2-CG 4.49Å; F640-F644 HydrophobicContact CG-CD2 4.17Å; F640-F644 HydrophobicContact CZ-CB 4.4Å; F640-F644 HydrophobicContact CZ-CD2 4.23Å; F640-F644 PolarHBondContact O-N 3.12Å; F640-A648 HydrophobicContact CE1-CB 3.99Å; F640-A648 HydrophobicContact CZ-CB 4.27Å; F640-L649 HydrophobicContact CD1-CD2 3.75Å; F640-L649 HydrophobicContact CD1-CG 4.35Å; F640-L649 HydrophobicContact CE1-CD2 3.86Å; F640-L649 HydrophobicContact CE1-CG 4.28Å |
| 641 | K | 81.7 | Confident | 76.9 | Confident | 79 Ų | 79 | 77 Ų | 77 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.6 | -72.6 | 179.7 | 173 | -158.7 | 0 | 112.1 | V637 A638 G645 E646 L649 | V637-K641 WeakPolarHBondContact O-CG 3.31Å; V637-K641 PolarHBondContact O-N 2.87Å; A638-K641 PolarHBondContact O-N 2.78Å; K641-G645 WeakPolarHBondContact O-CA 3.45Å; K641-G645 PolarHBondContact O-N 2.88Å; K641-E646 HydrophobicContact CB-CG 4.44Å; K641-E646 HydrophobicContact CD-CG 3.99Å; K641-E646 WeakPolarHBondContact CE-OE1 3.46Å; K641-E646 HydrophobicContact CG-CG 4.09Å; K641-E646 IonicContact NZ-OE1 3.65Å; K641-E646 PolarHBondContact NZ-OE1 3.12Å; K641-L649 HydrophobicContact CG-CD1 4.13Å |
| 642 | Q | 81 | Confident | 76.7 | Confident | 163 Ų | 163 | 78.8 Ų | 78.8 | 76% | 0.762 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.7 | -39.2 | 177.6 | -171.6 | -179.8 | 7 | 0 | 0 | 112.3 | A638 H639 F640 | A638-Q642 PolarHBondContact O-N 3.01Å; H639-Q642 PolarHBondContact O-N 2.93Å; F640-Q642 VanDerWaalsContact C-N 3.31Å; F640-Q642 PolarHBondContact O-N 3.33Å |
| 643 | L | 79.1 | Confident | 75.8 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 34% | 0.335 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -82.6 | -37.8 | -176.8 | -72.4 | 175.9 | 0 | 0 | 0 | 114.1 | H639 F640 | H639-L643 WeakPolarHBondContact CE1-CD1 3.14Å; H639-L643 WeakPolarHBondContact O-CG 3.34Å; H639-L643 PolarHBondContact O-N 3.18Å; H639-L643 VanDerWaalsContact O-N 3.07Å; F640-L643 PolarHBondContact O-N 3.11Å |
| 644 | F | 79.7 | Confident | 74.2 | Confident | 64 Ų | 64 | 82.8 Ų | 82.8 | 28% | 0.281 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -121.4 | -3.6 | -170.6 | -55.4 | -75.2 | 0 | 0 | 0 | 114.4 | Q604 F607 Y608 F640 A648 | Q604-F644 HydrophobicContact CB-CZ 4.02Å; Q604-F644 VanDerWaalsContact O-CZ 3.29Å; Q604-F644 WeakPolarHBondContact O-CZ 3.36Å; F607-F644 HydrophobicContact CD1-CE2 4.19Å; Y608-F644 HydrophobicContact CD2-CD1 4.12Å; Y608-F644 HydrophobicContact CD2-CD2 4.17Å; Y608-F644 HydrophobicContact CD2-CE1 4.32Å; Y608-F644 HydrophobicContact CD2-CE2 4.38Å; Y608-F644 HydrophobicContact CD2-CG 4.05Å; Y608-F644 HydrophobicContact CD2-CZ 4.46Å; F640-F644 AromaticContact CD2-CD2 3.75Å; F640-F644 HydrophobicContact CD2-CD2 3.75Å; F640-F644 HydrophobicContact CD2-CE2 4.2Å; F640-F644 HydrophobicContact CE1-CB 4.36Å; F640-F644 AromaticContact CE2-CD2 3.79Å; F640-F644 HydrophobicContact CE2-CD2 3.79Å; F640-F644 HydrophobicContact CE2-CE2 4.32Å; F640-F644 HydrophobicContact CE2-CG 4.49Å; F640-F644 HydrophobicContact CG-CD2 4.17Å; F640-F644 HydrophobicContact CZ-CB 4.4Å; F640-F644 HydrophobicContact CZ-CD2 4.23Å; F640-F644 PolarHBondContact O-N 3.12Å; F644-A648 HydrophobicContact CB-CB 3.86Å; F644-A648 WeakPolarHBondContact O-CB 3.47Å |
| 645 | G | 76.8 | Confident | 72.4 | Confident | 32 Ų | 32 | 86.4 Ų | 86.4 | 33% | 0.33 | 47% | 0.467 | S | S | . | . | trans | 79.4 | 156.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K641 Q647 A648 | K641-G645 WeakPolarHBondContact O-CA 3.45Å; K641-G645 PolarHBondContact O-N 2.88Å; G645-Q647 PolarHBondContact O-N 3.5Å; G645-A648 PolarHBondContact O-N 3.26Å | ||
| 646 | E | 72.8 | Confident | 72 | Confident | 131 Ų | 131 | 83.6 Ų | 83.6 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -63.7 | -24.4 | -178.7 | -64.9 | -160 | 132.5 | 0 | 0 | 113.5 | K641 A648 L649 | K641-E646 HydrophobicContact CB-CG 4.44Å; K641-E646 HydrophobicContact CD-CG 3.99Å; K641-E646 WeakPolarHBondContact CE-OE1 3.46Å; K641-E646 HydrophobicContact CG-CG 4.09Å; K641-E646 IonicContact NZ-OE1 3.65Å; K641-E646 PolarHBondContact NZ-OE1 3.12Å; E646-A648 PolarHBondContact O-N 3.47Å; E646-L649 PolarHBondContact O-N 2.74Å |
| 647 | Q | 68.1 | Low | 71.6 | Confident | 193 Ų | 193 | 87.9 Ų | 87.9 | 90% | 0.902 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -69.5 | -19.2 | 179.8 | -61.2 | -177.3 | 2 | 0 | 0 | 113.3 | G645 L649 | G645-Q647 PolarHBondContact O-N 3.5Å; Q647-L649 VanDerWaalsContact C-N 3.32Å |
| 648 | A | 70.3 | Confident | 71.1 | Confident | 31 Ų | 31 | 90.8 Ų | 90.8 | 26% | 0.256 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -82.4 | -6.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F640 F644 G645 E646 | F640-A648 HydrophobicContact CE1-CB 3.99Å; F640-A648 HydrophobicContact CZ-CB 4.27Å; F644-A648 HydrophobicContact CB-CB 3.86Å; F644-A648 WeakPolarHBondContact O-CB 3.47Å; G645-A648 PolarHBondContact O-N 3.26Å; E646-A648 PolarHBondContact O-N 3.47Å |
| 649 | L | 75.9 | Confident | 70.6 | Confident | 43 Ų | 43 | 92.6 Ų | 92.6 | 23% | 0.225 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -72.6 | 134.9 | 176.7 | -70.5 | 168.9 | 0 | 0 | 0 | 111.1 | F611 F640 K641 E646 Q647 K651 | F611-L649 HydrophobicContact CE1-CD2 3.75Å; F611-L649 HydrophobicContact CZ-CD2 4.06Å; F640-L649 HydrophobicContact CD1-CD2 3.75Å; F640-L649 HydrophobicContact CD1-CG 4.35Å; F640-L649 HydrophobicContact CE1-CD2 3.86Å; F640-L649 HydrophobicContact CE1-CG 4.28Å; K641-L649 HydrophobicContact CG-CD1 4.13Å; E646-L649 PolarHBondContact O-N 2.74Å; Q647-L649 VanDerWaalsContact C-N 3.32Å; L649-K651 PolarHBondContact O-N 3.2Å |
| 650 | M | 72 | Confident | 69.9 | Low | 69 Ų | 69 | 96.3 Ų | 96.3 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 124.7 | 173.8 | -166.5 | 168.1 | 178.6 | 0 | 0 | 110.1 | Q615 Q616 Q619 P625 | Q615-M650 HydrophobicContact CB-CB 4.18Å; Q615-M650 HydrophobicContact CB-SD 4.22Å; Q616-M650 HydrophobicContact CG-CE 4.24Å; Q616-M650 HydrophobicContact CG-SD 3.91Å; Q619-M650 HydrophobicContact CB-CE 4.33Å; Q619-M650 HydrophobicContact CG-CE 4.09Å; P625-M650 HydrophobicContact CB-CB 4.02Å; P625-M650 HydrophobicContact CB-CG 4.24Å; P625-M650 HydrophobicContact CG-CB 4.41Å; P625-M650 WeakPolarHBondContact CG-O 3.15Å |
| 651 | K | 70.3 | Confident | 69.1 | Low | 177 Ų | 177 | 102.7 Ų | 102.7 | 77% | 0.77 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 143.5 | 177.8 | -64.7 | -178.3 | -178.8 | 179.8 | 0 | 109.9 | L649 S653 | L649-K651 PolarHBondContact O-N 3.2Å; K651-S653 PolarHBondContact O-N 3.29Å |
| 652 | P | 62.8 | Low | 68.2 | Low | 79 Ų | 79 | 104.4 Ų | 104.4 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 135.9 | 173.4 | 23.8 | -30.8 | 0 | 0 | 0 | 109.8 | T654 | P652-T654 PolarHBondContact O-N 2.93Š|
| 653 | S | 57.1 | Low | 67.2 | Low | 71 Ų | 71 | 99.8 Ų | 99.8 | 50% | 0.497 | 55% | 0.55 | S | S | . | * | trans | -64.4 | 108.2 | 171.9 | 56.2 | 0 | 0 | 0 | 0 | 108.5 | Q619 K651 V655 | Q619-S653 PolarHBondContact NE2-OG 2.88Å; K651-S653 PolarHBondContact O-N 3.29Å; S653-V655 PolarHBondContact O-N 3.38Å | ||
| 654 | T | 48.6 | Very low | 66.3 | Low | 134 Ų | 134 | 102.8 Ų | 102.8 | 82% | 0.822 | 57% | 0.568 | S | S | * | * | trans | -60.7 | 115.9 | 164.2 | 43.8 | 0 | 0 | 0 | 0 | 107.5 | P652 | P652-T654 PolarHBondContact O-N 2.93Š| ||
| 655 | V | 40.7 | Very low | 65 | Low | 210 Ų | 210 | 106.4 Ų | 106.4 | 100% | 1.273 | 59% | 0.594 | S | S | * | * | trans | -61.4 | 0 | 171.2 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | S653 | S653-V655 PolarHBondContact O-N 3.38Š|
Retrieved 655 of 655 residues in 1290.1 ms
(Link to these results)