| 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 | 29.1 | Very low | 45.8 | Very low | 247 Ų | 247 | 85.5 Ų | 85.5 | 100% | 1.217 | 53% | 0.533 | S | S | * | . | 0 | 75.2 | 0 | -72.6 | 174.8 | 170.2 | 0 | 0 | 107.6 | |||||
| 2 | D | 25.6 | Very low | 47.7 | Very low | 168 Ų | 168 | 81.6 Ų | 81.6 | 90% | 0.898 | 50% | 0.501 | S | S | * | . | trans | -111.2 | 100.7 | 166.7 | -86.8 | -25.5 | 0 | 0 | 0 | 105 | G4 | D2-G4 PolarHBondContact O-N 3.06Š| ||
| 3 | S | 29.5 | Very low | 49.8 | Very low | 107 Ų | 107 | 80.3 Ų | 80.3 | 75% | 0.748 | 49% | 0.493 | S | S | * | . | trans | -53.7 | 126.7 | 175.6 | 45.2 | 0 | 0 | 0 | 0 | 109.7 | V5 | S3-V5 PolarHBondContact O-N 2.88Š| ||
| 4 | G | 32.4 | Very low | 51.5 | Low | 82 Ų | 82 | 75 Ų | 75 | 85% | 0.845 | 46% | 0.461 | S | S | * | . | trans | -59.5 | 90.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D2 G6 | D2-G4 PolarHBondContact O-N 3.06Å; G4-G6 PolarHBondContact O-N 2.86Å | ||
| 5 | V | 41.4 | Very low | 53 | Low | 108 Ų | 108 | 76.7 Ų | 76.7 | 66% | 0.655 | 47% | 0.471 | S | S | * | . | trans | -73.7 | 97.4 | 170.4 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | S3 | S3-V5 PolarHBondContact O-N 2.88Š| ||
| 6 | G | 48 | Very low | 54.4 | Low | 20 Ų | 20 | 72.6 Ų | 72.6 | 21% | 0.206 | 45% | 0.445 | C | S | . | . | trans | -55.5 | 144.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G4 V8 | G4-G6 PolarHBondContact O-N 2.86Å; G6-V8 PolarHBondContact O-N 3.25Å | ||
| 7 | C | 57 | Low | 55.7 | Low | 21 Ų | 21 | 72.6 Ų | 72.6 | 14% | 0.142 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -4.2 | -166.6 | -87.5 | 0 | 0 | 0 | 0 | 119.2 | P176 C216 | C7-P176 HydrophobicContact CB-CB 4Å; C7-C216 HydrophobicContact CB-CB 3.32Å; C7-C216 WeakPolarHBondContact CB-SG 2.92Å; C7-C216 WeakPolarHBondContact SG-CB 3.3Å; C7-C216 CovalentContact SG-SG 1.99Å; C7-C216 PolarHBondContact SG-SG 2.98Å |
| 8 | V | 56 | Low | 57 | Low | 53 Ų | 53 | 69.3 Ų | 69.3 | 32% | 0.321 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.3 | 12.6 | -163.1 | -167.8 | 0 | 0 | 0 | 0 | 114.1 | G6 P176 | G6-V8 PolarHBondContact O-N 3.25Å; V8-P176 HydrophobicContact CG2-CB 3.88Å; V8-P176 HydrophobicContact CG2-CG 3.66Å |
| 9 | T | 59.3 | Low | 58.4 | Low | 50 Ų | 50 | 65.7 Ų | 65.7 | 31% | 0.307 | 40% | 0.404 | S | S | . | . | trans | -96.7 | 135.9 | -178.9 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 10 | S | 61.2 | Low | 59.7 | Low | 5 Ų | 5 | 65.1 Ų | 65.1 | 4% | 0.035 | 39% | 0.394 | C | S | . | . | trans | -70.6 | 138.9 | 167.3 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | Y12 N357 Y382 | S10-Y12 PolarHBondContact O-N 3.39Å; S10-Y12 PolarHBondContact OG-N 2.98Å; S10-N357 PolarHBondContact OG-OD1 3.33Å; S10-Y382 VanDerWaalsContact CB-CE1 3.46Å | ||
| 11 | T | 64.5 | Low | 61 | Low | 79 Ų | 79 | 62.1 Ų | 62.1 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -2.3 | 173.8 | 47 | 0 | 0 | 0 | 0 | 113.6 | K211 | T11-K211 HydrophobicContact CG2-CD 4.46Š|
| 12 | Y | 68.4 | Low | 63.5 | Low | 39 Ų | 39 | 56.5 Ų | 56.5 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | 35.2 | -171.8 | -51.3 | -63.2 | 0 | 0 | 0 | 113.4 | S10 I209 F355 N356 N357 L360 Y379 | S10-Y12 PolarHBondContact O-N 3.39Å; S10-Y12 PolarHBondContact OG-N 2.98Å; Y12-I209 PolarHBondContact OH-O 3.06Å; Y12-F355 AromaticContact CD1-CD1 3.49Å; Y12-F355 HydrophobicContact CD1-CD1 3.49Å; Y12-F355 VanDerWaalsContact CD1-CD1 3.49Å; Y12-F355 AromaticContact CD1-CE1 3.97Å; Y12-F355 HydrophobicContact CD1-CE1 3.97Å; Y12-F355 AromaticContact CE1-CD1 3.71Å; Y12-F355 HydrophobicContact CE1-CD1 3.71Å; Y12-F355 AromaticContact CE1-CE1 3.94Å; Y12-F355 HydrophobicContact CE1-CE1 3.94Å; Y12-F355 HydrophobicContact CG-CD1 4.14Å; Y12-F355 HydrophobicContact CG-CE1 4.36Å; Y12-N356 CarbonylContact O-C 3.58Å; Y12-N356 VanDerWaalsContact O-CA 3.22Å; Y12-N356 WeakPolarHBondContact O-CA 3.42Å; Y12-N357 VanDerWaalsContact O-CG 3.3Å; Y12-N357 PolarHBondContact O-N 3.33Å; Y12-N357 PolarHBondContact O-ND2 3.4Å; Y12-N357 VanDerWaalsContact O-ND2 3.13Å; Y12-L360 HydrophobicContact CD2-CD2 3.92Å; Y12-L360 HydrophobicContact CE2-CD2 4.2Å; Y12-Y379 AromaticContact CD2-CE1 3.78Å; Y12-Y379 HydrophobicContact CD2-CE1 3.78Å; Y12-Y379 HydrophobicContact CE2-CE1 4.18Å; Y12-Y379 WeakPolarHBondContact CE2-OH 3.41Å |
| 13 | T | 74.8 | Confident | 66.1 | Low | 65 Ų | 65 | 51.8 Ų | 51.8 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | trans | -72.6 | 140.4 | 172 | 45.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 14 | S | 73.8 | Confident | 68.4 | Low | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | -83.6 | 137.1 | 177.3 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | N16 E354 | S14-N16 WeakPolarHBondContact OG-CB 3.49Å; S14-N16 PolarHBondContact OG-N 3.31Å; S14-E354 WeakPolarHBondContact CA-OE1 3.47Å; S14-E354 PolarHBondContact OG-OE2 3.37Å | ||
| 15 | T | 73.7 | Confident | 70.7 | Confident | 100 Ų | 100 | 52.9 Ų | 52.9 | 61% | 0.613 | 30% | 0.297 | S | S | * | . | trans | -100.5 | 11.7 | 175.1 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | E354 | T15-E354 WeakPolarHBondContact CA-OE1 3.44Å; T15-E354 WeakPolarHBondContact CB-OE1 3.47Å; T15-E354 PolarHBondContact N-OE1 2.89Å; T15-E354 PolarHBondContact OG1-OE1 2.92Å | ||
| 16 | N | 75.3 | Confident | 72.7 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | trans | -57.8 | 128.4 | -179.3 | -175.9 | -47.7 | 0 | 0 | 0 | 110.8 | S14 E18 L19 Y20 P324 | S14-N16 WeakPolarHBondContact OG-CB 3.49Å; S14-N16 PolarHBondContact OG-N 3.31Å; N16-E18 PolarHBondContact O-N 3.39Å; N16-E18 VanDerWaalsContact O-N 3.11Å; N16-E18 WeakPolarHBondContact OD1-CB 3.49Å; N16-E18 PolarHBondContact OD1-N 3.02Å; N16-L19 HydrophobicContact CB-CD1 4.26Å; N16-L19 WeakPolarHBondContact O-CB 3.47Å; N16-L19 PolarHBondContact O-N 2.92Å; N16-Y20 WeakPolarHBondContact O-CD2 3.3Å; N16-P324 HydrophobicContact CB-CG 3.91Å | ||
| 17 | P | 77.4 | Confident | 74.5 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -60.8 | -24.4 | -174.7 | 24.4 | -35.7 | 0 | 0 | 0 | 114.1 | L19 Y20 | P17-L19 PolarHBondContact O-N 3.42Å; P17-Y20 PolarHBondContact O-N 3.49Å; P17-Y20 VanDerWaalsContact O-N 3.17Å |
| 18 | E | 78.8 | Confident | 76 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -71.9 | -15.1 | 177.2 | -66 | -151.7 | 128.7 | 0 | 0 | 114.3 | N16 Y20 N764 I765 L766 | N16-E18 PolarHBondContact O-N 3.39Å; N16-E18 VanDerWaalsContact O-N 3.11Å; N16-E18 WeakPolarHBondContact OD1-CB 3.49Å; N16-E18 PolarHBondContact OD1-N 3.02Å; E18-Y20 PolarHBondContact O-N 3.41Å; E18-N764 PolarHBondContact OE1-N 3.42Å; E18-I765 VanDerWaalsContact CD-CG2 3.5Å; E18-I765 WeakPolarHBondContact OE1-CG2 3.46Å; E18-I765 PolarHBondContact OE1-N 3.32Å; E18-I765 WeakPolarHBondContact OE2-CG2 3.26Å; E18-L766 HydrophobicContact CB-CB 4.18Å; E18-L766 HydrophobicContact CB-CD2 4.38Å; E18-L766 WeakPolarHBondContact OE2-CB 3.37Å; E18-L766 PolarHBondContact OE2-N 2.88Å |
| 19 | L | 83 | Confident | 77.7 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -79 | -4.3 | 172.2 | -71.4 | 168.2 | 0 | 0 | 0 | 112.5 | N16 P17 R27 T28 L321 E323 L766 | N16-L19 HydrophobicContact CB-CD1 4.26Å; N16-L19 WeakPolarHBondContact O-CB 3.47Å; N16-L19 PolarHBondContact O-N 2.92Å; P17-L19 PolarHBondContact O-N 3.42Å; L19-R27 CarbonylContact O-C 3.57Å; L19-R27 WeakPolarHBondContact O-CA 3.43Å; L19-R27 WeakPolarHBondContact O-CG 3.38Å; L19-T28 PolarHBondContact O-N 3.14Å; L19-L321 HydrophobicContact CD2-CB 4.49Å; L19-E323 HydrophobicContact CD1-CG 4.45Å; L19-L766 HydrophobicContact CD2-CD2 3.54Å; L19-L766 HydrophobicContact CG-CD2 3.93Å |
| 20 | Y | 85.2 | Confident | 79.3 | Confident | 53 Ų | 53 | 46.6 Ų | 46.6 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -118.5 | 158.9 | -176.2 | -62.5 | -94.8 | 0 | 0 | 0 | 111.3 | N16 P17 E18 R26 R27 | N16-Y20 WeakPolarHBondContact O-CD2 3.3Å; P17-Y20 PolarHBondContact O-N 3.49Å; P17-Y20 VanDerWaalsContact O-N 3.17Å; E18-Y20 PolarHBondContact O-N 3.41Å; Y20-R26 CarbonylContact C-O 3.59Å; Y20-R26 VanDerWaalsContact CA-O 3.25Å; Y20-R26 WeakPolarHBondContact CA-O 3.33Å; Y20-R27 HydrophobicContact CD1-CB 4.25Å; Y20-R27 HydrophobicContact CE1-CB 4.17Å |
| 21 | F | 85.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | trans | -62.5 | 173.5 | 168.9 | -82.8 | -130 | 0 | 0 | 0 | 110.1 | D23 G24 R26 T28 E62 K156 H158 | F21-D23 PolarHBondContact O-N 2.89Å; F21-G24 PolarHBondContact O-N 3.44Å; F21-R26 HydrophobicContact CB-CB 4.2Å; F21-R26 HydrophobicContact CD2-CB 4.37Å; F21-R26 HydrophobicContact CG-CB 4.23Å; F21-R26 PolarHBondContact N-O 3.29Å; F21-T28 WeakPolarHBondContact CD2-OG1 3.34Å; F21-T28 HydrophobicContact CE2-CG2 4.37Å; F21-E62 WeakPolarHBondContact CA-OE2 3.39Å; F21-E62 WeakPolarHBondContact CB-OE2 3.37Å; F21-E62 HydrophobicContact CD1-CB 3.93Å; F21-E62 HydrophobicContact CD1-CG 3.37Å; F21-E62 VanDerWaalsContact CD1-OE1 3.31Å; F21-E62 WeakPolarHBondContact CD1-OE1 3.41Å; F21-E62 WeakPolarHBondContact CD1-OE2 3.26Å; F21-E62 HydrophobicContact CE1-CB 3.75Å; F21-E62 HydrophobicContact CE1-CG 3.56Å; F21-E62 HydrophobicContact CG-CG 4.35Å; F21-E62 HydrophobicContact CZ-CB 4.47Å; F21-K156 HydrophobicContact CE2-CB 3.89Å; F21-K156 HydrophobicContact CZ-CB 3.91Å; F21-K156 WeakPolarHBondContact CZ-O 3.44Å; F21-H158 HydrophobicContact CD2-CB 4.41Å; F21-H158 HydrophobicContact CE1-CB 4.39Å; F21-H158 HydrophobicContact CE2-CB 3.63Å; F21-H158 HydrophobicContact CZ-CB 3.64Å | ||
| 22 | R | 81.8 | Confident | 82.2 | Confident | 129 Ų | 129 | 42.6 Ų | 42.6 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.8 | -178.2 | -70.9 | -176.2 | 74.1 | 132.1 | 1.2 | 114 | G24 E62 G68 R763 | R22-G24 VanDerWaalsContact C-N 3.34Å; R22-E62 PolarHBondContact N-OE2 3.47Å; R22-G68 PolarHBondContact NH1-O 3.48Å; R22-R763 VanDerWaalsContact CA-NH2 3.26Å; R22-R763 VanDerWaalsContact CG-CZ 3.44Å; R22-R763 VanDerWaalsContact N-NH2 3.13Å |
| 23 | D | 80 | Confident | 83.3 | Confident | 70 Ų | 70 | 40.8 Ų | 40.8 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.9 | 177.7 | 57.5 | 29.6 | 0 | 0 | 0 | 115.2 | F21 K25 R26 | F21-D23 PolarHBondContact O-N 2.89Å; D23-K25 PolarHBondContact O-N 2.92Å; D23-K25 PolarHBondContact OD1-N 3.29Å; D23-R26 PolarHBondContact OD1-N 3.19Å; D23-R26 VanDerWaalsContact OD1-N 3.09Å; D23-R26 IonicContact OD2-CZ 3.34Å; D23-R26 IonicContact OD2-NE 3.83Å; D23-R26 PolarHBondContact OD2-NE 2.86Å; D23-R26 IonicContact OD2-NH2 3.47Å; D23-R26 PolarHBondContact OD2-NH2 3.37Å |
| 24 | G | 78.2 | Confident | 84 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 49% | 0.485 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 68.1 | 6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F21 R22 | F21-G24 PolarHBondContact O-N 3.44Å; R22-G24 VanDerWaalsContact C-N 3.34Å |
| 25 | K | 80.1 | Confident | 84.5 | Confident | 165 Ų | 165 | 44.3 Ų | 44.3 | 72% | 0.717 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -104.4 | -50.4 | -178.2 | -67.2 | -177.5 | -179.4 | -179.9 | 0 | 111.2 | D23 | D23-K25 PolarHBondContact O-N 2.92Å; D23-K25 PolarHBondContact OD1-N 3.29Å |
| 26 | R | 84.1 | Confident | 84.9 | Confident | 57 Ų | 57 | 42.5 Ų | 42.5 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -85.6 | 125.2 | -175.2 | -65 | 177.1 | -70.2 | 163.7 | 4.3 | 110.5 | Y20 F21 D23 E60 E62 | Y20-R26 CarbonylContact C-O 3.59Å; Y20-R26 VanDerWaalsContact CA-O 3.25Å; Y20-R26 WeakPolarHBondContact CA-O 3.33Å; F21-R26 HydrophobicContact CB-CB 4.2Å; F21-R26 HydrophobicContact CD2-CB 4.37Å; F21-R26 HydrophobicContact CG-CB 4.23Å; F21-R26 PolarHBondContact N-O 3.29Å; D23-R26 PolarHBondContact OD1-N 3.19Å; D23-R26 VanDerWaalsContact OD1-N 3.09Å; D23-R26 IonicContact OD2-CZ 3.34Å; D23-R26 IonicContact OD2-NE 3.83Å; D23-R26 PolarHBondContact OD2-NE 2.86Å; D23-R26 IonicContact OD2-NH2 3.47Å; D23-R26 PolarHBondContact OD2-NH2 3.37Å; R26-E60 WeakPolarHBondContact CD-OE2 3.43Å; R26-E60 IonicContact CZ-OE2 3.2Å; R26-E60 IonicContact NE-OE2 2.68Å; R26-E60 PolarHBondContact NE-OE2 3.38Å; R26-E60 IonicContact NH1-OE2 2.86Å; R26-E60 PolarHBondContact NH1-OE2 2.89Å; R26-E62 IonicContact NH2-OE1 3.78Å; R26-E62 PolarHBondContact NH2-OE1 2.63Å |
| 27 | R | 86 | Confident | 84.8 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -76.7 | 133.7 | 179 | -174.2 | -175.9 | 178.3 | 164.1 | 5.9 | 111.2 | L19 Y20 D29 H158 | L19-R27 CarbonylContact O-C 3.57Å; L19-R27 WeakPolarHBondContact O-CA 3.43Å; L19-R27 WeakPolarHBondContact O-CG 3.38Å; Y20-R27 HydrophobicContact CD1-CB 4.25Å; Y20-R27 HydrophobicContact CE1-CB 4.17Å; R27-D29 PolarHBondContact O-N 2.88Å; R27-H158 PolarHBondContact O-ND1 2.88Å |
| 28 | T | 89.1 | Confident | 84.2 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | trans | -71.6 | 113.8 | 167.8 | -52.9 | 0 | 0 | 0 | 0 | 110.4 | L19 F21 V31 K156 L321 | L19-T28 PolarHBondContact O-N 3.14Å; F21-T28 WeakPolarHBondContact CD2-OG1 3.34Å; F21-T28 HydrophobicContact CE2-CG2 4.37Å; T28-V31 HydrophobicContact CG2-CG2 3.72Å; T28-K156 HydrophobicContact CG2-CB 3.76Å; T28-K156 HydrophobicContact CG2-CD 4.39Å; T28-K156 HydrophobicContact CG2-CG 3.93Å; T28-L321 HydrophobicContact CG2-CD1 3.6Å | ||
| 29 | D | 90.5 | Very high | 83.4 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | trans | -92.9 | -34.2 | -177 | -65.9 | -47.5 | 0 | 0 | 0 | 112.1 | R27 L157 H158 A159 R244 L248 | R27-D29 PolarHBondContact O-N 2.88Å; D29-L157 PolarHBondContact N-O 3.08Å; D29-H158 IonicContact OD2-ND1 3.89Å; D29-A159 PolarHBondContact OD2-N 3.03Å; D29-R244 HydrophobicContact CB-CB 4.28Å; D29-R244 WeakPolarHBondContact OD1-CD 3.4Å; D29-R244 IonicContact OD1-CZ 3.42Å; D29-R244 IonicContact OD1-NE 3.99Å; D29-R244 PolarHBondContact OD1-NE 3.19Å; D29-R244 IonicContact OD1-NH2 2.66Å; D29-R244 IonicContact OD2-CZ 2.78Å; D29-R244 VanDerWaalsContact OD2-CZ 3.25Å; D29-R244 IonicContact OD2-NE 2.7Å; D29-R244 PolarHBondContact OD2-NE 3.02Å; D29-R244 IonicContact OD2-NH2 3.56Å; D29-R244 PolarHBondContact OD2-NH2 2.96Å; D29-L248 HydrophobicContact CB-CD1 3.37Å | ||
| 30 | Y | 94.1 | Very high | 82.8 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 148.2 | -175.3 | -143.2 | -78.7 | 0 | 0 | 0 | 110.7 | L32 L157 L248 D249 L252 A318 P320 V832 | Y30-L32 HydrophobicContact CD1-CD2 4.37Å; Y30-L32 HydrophobicContact CE1-CD2 4.45Å; Y30-L157 PolarHBondContact N-O 3.15Å; Y30-L157 PolarHBondContact O-N 2.95Å; Y30-L248 HydrophobicContact CD2-CB 3.98Å; Y30-L248 HydrophobicContact CG-CB 4.31Å; Y30-D249 HydrophobicContact CE2-CB 3.97Å; Y30-D249 PolarHBondContact OH-OD1 2.86Å; Y30-L252 HydrophobicContact CD1-CD1 3.7Å; Y30-L252 HydrophobicContact CE1-CD1 3.63Å; Y30-L252 HydrophobicContact CE2-CD1 4.46Å; Y30-L252 HydrophobicContact CG-CD1 4.18Å; Y30-A318 HydrophobicContact CE1-CB 3.87Å; Y30-P320 HydrophobicContact CD2-CB 4.26Å; Y30-V832 HydrophobicContact CE2-CG2 4.06Å |
| 31 | V | 93.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.8 | 179.1 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | T28 F154 V155 A318 Y319 L321 | T28-V31 HydrophobicContact CG2-CG2 3.72Å; V31-F154 HydrophobicContact CG1-CB 4.3Å; V31-F154 HydrophobicContact CG1-CD1 3.93Å; V31-V155 CarbonylContact C-O 3.39Å; V31-V155 WeakPolarHBondContact CA-O 3.37Å; V31-A318 WeakPolarHBondContact O-CA 3.4Å; V31-Y319 HydrophobicContact CB-CE2 4.42Å; V31-Y319 PolarHBondContact N-O 2.79Å; V31-Y319 PolarHBondContact O-N 3.44Å; V31-L321 HydrophobicContact CG2-CD1 3.65Å; V31-L321 HydrophobicContact CG2-CD2 3.85Å; V31-L321 HydrophobicContact CG2-CG 3.61Å |
| 32 | L | 93.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.3 | 163.8 | -42.6 | 175 | 0 | 0 | 0 | 108.5 | Y30 F50 L51 V155 L157 L252 I306 F315 A317 A318 | Y30-L32 HydrophobicContact CD1-CD2 4.37Å; Y30-L32 HydrophobicContact CE1-CD2 4.45Å; L32-F50 HydrophobicContact CD1-CE1 4.44Å; L32-L51 HydrophobicContact CD1-CD2 4.25Å; L32-V155 HydrophobicContact CB-CB 4.03Å; L32-V155 HydrophobicContact CB-CG2 4.48Å; L32-V155 HydrophobicContact CG-CB 4.49Å; L32-V155 PolarHBondContact N-O 1.99Å; L32-V155 PolarHBondContact O-N 2.92Å; L32-L157 HydrophobicContact CD1-CD1 4.16Å; L32-L157 HydrophobicContact CD2-CD1 4.27Å; L32-L157 HydrophobicContact CG-CD1 3.97Å; L32-L252 HydrophobicContact CD1-CD2 4.38Å; L32-L252 HydrophobicContact CD2-CD1 4.17Å; L32-L252 HydrophobicContact CD2-CD2 4.3Å; L32-I306 HydrophobicContact CD1-CD1 4.38Å; L32-I306 HydrophobicContact CD2-CD1 4.07Å; L32-I306 HydrophobicContact CD2-CG1 4.33Å; L32-F315 HydrophobicContact CB-CD1 3.92Å; L32-F315 HydrophobicContact CB-CE1 4Å; L32-F315 HydrophobicContact CD1-CD1 4.45Å; L32-F315 HydrophobicContact CD1-CE1 4Å; L32-F315 HydrophobicContact CD1-CE2 4.37Å; L32-F315 HydrophobicContact CD1-CZ 3.96Å; L32-A317 WeakPolarHBondContact CA-O 3.21Å; L32-A318 HydrophobicContact CD2-CB 3.5Å; L32-A318 VanDerWaalsContact CD2-CB 3.5Å |
| 33 | A | 90.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V153 F154 S316 A317 Y319 F771 | A33-V153 WeakPolarHBondContact CA-O 3.34Å; A33-F154 HydrophobicContact CB-CD1 3.93Å; A33-F154 HydrophobicContact CB-CE1 4Å; A33-S316 WeakPolarHBondContact O-CA 3.3Å; A33-S316 WeakPolarHBondContact O-CB 3.13Å; A33-S316 PolarHBondContact O-N 3.03Å; A33-A317 PolarHBondContact N-O 3.3Å; A33-A317 PolarHBondContact O-N 3.4Å; A33-Y319 HydrophobicContact CB-CE1 4.49Å; A33-F771 HydrophobicContact CB-CD2 3.6Å; A33-F771 HydrophobicContact CB-CE2 3.69Å |
| 34 | Y | 89.5 | Confident | 81.6 | Confident | 23 Ų | 23 | 61 Ų | 61 | 9% | 0.09 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 158.4 | 171.6 | 66.9 | -87 | 0 | 0 | 0 | 111 | V153 V155 F315 | Y34-V153 HydrophobicContact CD1-CB 4.18Å; Y34-V153 HydrophobicContact CD1-CG1 4.47Å; Y34-V153 HydrophobicContact CD2-CB 4.29Å; Y34-V153 HydrophobicContact CE1-CB 3.68Å; Y34-V153 HydrophobicContact CE1-CG1 3.59Å; Y34-V153 HydrophobicContact CE2-CB 3.8Å; Y34-V153 HydrophobicContact CE2-CG1 4.29Å; Y34-V153 HydrophobicContact CE2-CG2 3.95Å; Y34-V153 HydrophobicContact CG-CB 4.47Å; Y34-V153 VanDerWaalsContact CZ-CB 3.48Å; Y34-V153 VanDerWaalsContact CZ-CG1 3.48Å; Y34-V153 PolarHBondContact N-O 3.02Å; Y34-V153 VanDerWaalsContact N-O 3.1Å; Y34-V153 PolarHBondContact O-N 3.14Å; Y34-V153 WeakPolarHBondContact OH-CG1 3.38Å; Y34-V155 HydrophobicContact CD1-CG2 4.34Å; Y34-V155 HydrophobicContact CE1-CG2 3.89Å; Y34-F315 HydrophobicContact CD1-CD1 4.11Å; Y34-F315 AromaticContact CD1-CE1 3.99Å; Y34-F315 HydrophobicContact CD1-CE1 3.99Å |
| 35 | R | 84.9 | Confident | 81.6 | Confident | 123 Ų | 123 | 60 Ų | 60 | 46% | 0.464 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.9 | 171.7 | -66.2 | -174.1 | -174.1 | -82.6 | 1.7 | 109.5 | S37 D150 N151 L152 | R35-S37 PolarHBondContact O-N 3.37Å; R35-D150 IonicContact NH1-OD2 3.4Å; R35-D150 PolarHBondContact NH1-OD2 3.42Å; R35-N151 CarbonylContact C-O 3.53Å; R35-N151 VanDerWaalsContact CA-O 3.3Å; R35-N151 WeakPolarHBondContact CA-O 3.32Å; R35-L152 HydrophobicContact CG-CD2 3.77Å |
| 36 | F | 80.6 | Confident | 81.7 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 27% | 0.272 | 26% | 0.259 | S | S | . | . | trans | -67.9 | 128.8 | 174.3 | -177.9 | -111 | 0 | 0 | 0 | 109.9 | T38 F91 N151 V153 | F36-T38 HydrophobicContact CE1-CG2 3.83Å; F36-T38 HydrophobicContact CZ-CG2 3.97Å; F36-F91 AromaticContact CD2-CE1 3.58Å; F36-F91 HydrophobicContact CD2-CE1 3.58Å; F36-F91 AromaticContact CD2-CZ 3.42Å; F36-F91 HydrophobicContact CD2-CZ 3.42Å; F36-F91 VanDerWaalsContact CD2-CZ 3.42Å; F36-F91 HydrophobicContact CE1-CZ 4.42Å; F36-F91 HydrophobicContact CE2-CD1 4.15Å; F36-F91 AromaticContact CE2-CE1 3.11Å; F36-F91 HydrophobicContact CE2-CE1 3.11Å; F36-F91 HydrophobicContact CE2-CE2 4.38Å; F36-F91 AromaticContact CE2-CZ 3.25Å; F36-F91 HydrophobicContact CE2-CZ 3.25Å; F36-F91 HydrophobicContact CG-CZ 4.11Å; F36-F91 AromaticContact CZ-CE1 3.86Å; F36-F91 HydrophobicContact CZ-CE1 3.86Å; F36-F91 AromaticContact CZ-CZ 3.78Å; F36-F91 HydrophobicContact CZ-CZ 3.78Å; F36-N151 HydrophobicContact CB-CB 4.49Å; F36-N151 PolarHBondContact N-O 3.25Å; F36-V153 HydrophobicContact CB-CG2 4.08Å | ||
| 37 | S | 73.1 | Confident | 81.8 | Confident | 52 Ų | 52 | 52 Ų | 52 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | trans | -141.1 | 126.7 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 108 | R35 S39 Q44 | R35-S37 PolarHBondContact O-N 3.37Å; S37-S39 VanDerWaalsContact C-N 3.27Å; S37-Q44 PolarHBondContact O-NE2 2.87Å | ||
| 38 | T | 66.3 | Low | 81.7 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 69% | 0.693 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.6 | 177.4 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | F36 K40 | F36-T38 HydrophobicContact CE1-CG2 3.83Å; F36-T38 HydrophobicContact CZ-CG2 3.97Å; T38-K40 VanDerWaalsContact C-N 3.29Å; T38-K40 PolarHBondContact O-N 3.34Å |
| 39 | S | 62.5 | Low | 81.5 | Confident | 105 Ų | 105 | 54.1 Ų | 54.1 | 73% | 0.734 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -11.9 | -174.9 | 167.7 | 0 | 0 | 0 | 0 | 114.6 | S37 | S37-S39 VanDerWaalsContact C-N 3.27Š|
| 40 | K | 69.5 | Low | 81.3 | Confident | 104 Ų | 104 | 53.9 Ų | 53.9 | 45% | 0.452 | 27% | 0.265 | S | S | . | . | trans | -119.2 | 67.8 | -170.4 | -58.9 | -161.4 | -176.3 | -173.1 | 0 | 113.4 | T38 H42 D43 Q44 | T38-K40 VanDerWaalsContact C-N 3.29Å; T38-K40 PolarHBondContact O-N 3.34Å; K40-H42 VanDerWaalsContact C-N 3.35Å; K40-H42 PolarHBondContact O-N 3.41Å; K40-D43 HydrophobicContact CB-CB 4.02Å; K40-D43 WeakPolarHBondContact CD-OD2 3.38Å; K40-D43 IonicContact NZ-OD2 2.71Å; K40-D43 PolarHBondContact O-N 2.86Å; K40-Q44 PolarHBondContact O-N 3.21Å | ||
| 41 | Y | 71.2 | Confident | 81.1 | Confident | 182 Ų | 182 | 53.9 Ų | 53.9 | 71% | 0.714 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56.8 | -45 | 178.6 | -175.9 | -104 | 0 | 0 | 0 | 112.8 | D43 Q44 S45 | Y41-D43 VanDerWaalsContact C-N 3.25Å; Y41-D43 PolarHBondContact O-N 3.5Å; Y41-Q44 WeakPolarHBondContact O-CA 3.46Å; Y41-Q44 WeakPolarHBondContact O-CB 3.21Å; Y41-Q44 PolarHBondContact O-N 2.8Å; Y41-S45 PolarHBondContact O-N 2.88Å; Y41-S45 VanDerWaalsContact O-N 3.1Å |
| 42 | H | 75.7 | Confident | 80.7 | Confident | 104 Ų | 104 | 56.1 Ų | 56.1 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -29.6 | 178.9 | -172.9 | -90.3 | 0 | 0 | 0 | 113.6 | K40 S45 R46 | K40-H42 VanDerWaalsContact C-N 3.35Å; K40-H42 PolarHBondContact O-N 3.41Å; H42-S45 PolarHBondContact O-OG 3.05Å; H42-R46 WeakPolarHBondContact CE1-CD 3.29Å; H42-R46 WeakPolarHBondContact ND1-CD 3.46Å; H42-R46 VanDerWaalsContact O-CG 3.26Å; H42-R46 WeakPolarHBondContact O-CG 3.23Å; H42-R46 PolarHBondContact O-N 3.44Å |
| 43 | D | 80.2 | Confident | 80.3 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -74.1 | -32.5 | 174.1 | -70.1 | -5.7 | 0 | 0 | 0 | 111.3 | K40 Y41 R47 I314 | K40-D43 HydrophobicContact CB-CB 4.02Å; K40-D43 WeakPolarHBondContact CD-OD2 3.38Å; K40-D43 IonicContact NZ-OD2 2.71Å; K40-D43 PolarHBondContact O-N 2.86Å; Y41-D43 VanDerWaalsContact C-N 3.25Å; Y41-D43 PolarHBondContact O-N 3.5Å; D43-R47 VanDerWaalsContact C-NH1 3.34Å; D43-R47 VanDerWaalsContact O-CG 3.25Å; D43-R47 WeakPolarHBondContact O-CG 3.46Å; D43-R47 PolarHBondContact O-N 2.92Å; D43-R47 PolarHBondContact O-NH1 2.86Å; D43-I314 HydrophobicContact CB-CG1 4.34Å |
| 44 | Q | 80.5 | Confident | 80.2 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 177.3 | -63.4 | 178.6 | 2.5 | 0 | 0 | 111.2 | S37 K40 Y41 R47 L48 | S37-Q44 PolarHBondContact O-NE2 2.87Å; K40-Q44 PolarHBondContact O-N 3.21Å; Y41-Q44 WeakPolarHBondContact O-CA 3.46Å; Y41-Q44 WeakPolarHBondContact O-CB 3.21Å; Y41-Q44 PolarHBondContact O-N 2.8Å; Q44-R47 PolarHBondContact O-N 3.4Å; Q44-L48 PolarHBondContact O-N 3.42Å |
| 45 | S | 78.7 | Confident | 80.1 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.4 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | Y41 H42 R47 L48 L49 L262 | Y41-S45 PolarHBondContact O-N 2.88Å; Y41-S45 VanDerWaalsContact O-N 3.1Å; H42-S45 PolarHBondContact O-OG 3.05Å; S45-R47 VanDerWaalsContact C-N 3.35Å; S45-R47 PolarHBondContact O-N 3.39Å; S45-L48 PolarHBondContact O-N 2.93Å; S45-L49 WeakPolarHBondContact O-CG 3.25Å; S45-L49 PolarHBondContact O-N 2.82Å; S45-L262 VanDerWaalsContact OG-CD2 3.27Å; S45-L262 WeakPolarHBondContact OG-CD2 3.15Å |
| 46 | R | 82.4 | Confident | 80.1 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 13% | 0.125 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 174.3 | -72.4 | 175.8 | 72.2 | -178.9 | 3.4 | 112.8 | H42 F50 Y257 L262 D312 I314 | H42-R46 WeakPolarHBondContact CE1-CD 3.29Å; H42-R46 WeakPolarHBondContact ND1-CD 3.46Å; H42-R46 VanDerWaalsContact O-CG 3.26Å; H42-R46 WeakPolarHBondContact O-CG 3.23Å; H42-R46 PolarHBondContact O-N 3.44Å; R46-F50 WeakPolarHBondContact O-CB 3.41Å; R46-F50 PolarHBondContact O-N 3.19Å; R46-F50 VanDerWaalsContact O-N 3.1Å; R46-Y257 HydrophobicContact CG-CE2 4.37Å; R46-Y257 VanDerWaalsContact CZ-OH 3.3Å; R46-Y257 PolarHBondContact NE-OH 3.19Å; R46-Y257 PolarHBondContact NH2-OH 2.9Å; R46-L262 HydrophobicContact CG-CD1 4.05Å; R46-D312 IonicContact CZ-OD2 3.25Å; R46-D312 IonicContact NH1-OD2 3.57Å; R46-D312 IonicContact NH2-OD2 2.73Å; R46-D312 PolarHBondContact NH2-OD2 3.37Å; R46-I314 HydrophobicContact CB-CD1 4.08Å; R46-I314 VanDerWaalsContact NE-CD1 3.28Å |
| 47 | R | 86.4 | Confident | 80.3 | Confident | 21 Ų | 21 | 57 Ų | 57 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 174.3 | -73.4 | 174.4 | -161.6 | 107.6 | 0.8 | 110.7 | D43 Q44 S45 L49 F50 L51 I314 F315 | D43-R47 VanDerWaalsContact C-NH1 3.34Å; D43-R47 VanDerWaalsContact O-CG 3.25Å; D43-R47 WeakPolarHBondContact O-CG 3.46Å; D43-R47 PolarHBondContact O-N 2.92Å; D43-R47 PolarHBondContact O-NH1 2.86Å; Q44-R47 PolarHBondContact O-N 3.4Å; S45-R47 VanDerWaalsContact C-N 3.35Å; S45-R47 PolarHBondContact O-N 3.39Å; R47-L49 PolarHBondContact O-N 3.22Å; R47-F50 PolarHBondContact O-N 3.23Å; R47-L51 VanDerWaalsContact O-CG 3.3Å; R47-L51 WeakPolarHBondContact O-CG 3.34Å; R47-L51 PolarHBondContact O-N 3.34Å; R47-I314 HydrophobicContact CG-CG2 3.27Å; R47-I314 PolarHBondContact NE-O 3.4Å; R47-I314 PolarHBondContact NH2-O 3.04Å; R47-F315 HydrophobicContact CB-CZ 4.27Å; R47-F315 HydrophobicContact CG-CE1 4.27Å; R47-F315 HydrophobicContact CG-CE2 4.19Å; R47-F315 HydrophobicContact CG-CZ 3.89Å |
| 48 | L | 83.8 | Confident | 81 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 29% | 0.293 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | -177.8 | -179.1 | 56.2 | 0 | 0 | 0 | 111.8 | Q44 S45 F50 L51 N52 L85 L87 | Q44-L48 PolarHBondContact O-N 3.42Å; S45-L48 PolarHBondContact O-N 2.93Å; L48-F50 VanDerWaalsContact C-N 3.32Å; L48-F50 PolarHBondContact O-N 3.14Å; L48-L51 PolarHBondContact O-N 2.87Å; L48-N52 WeakPolarHBondContact O-CB 3.39Å; L48-N52 PolarHBondContact O-N 3.38Å; L48-L85 HydrophobicContact CD1-CD2 3.8Å; L48-L87 HydrophobicContact CD1-CD1 3.54Å; L48-L87 HydrophobicContact CD1-CG 4.2Å; L48-L87 HydrophobicContact CD2-CD1 3.79Å; L48-L87 HydrophobicContact CG-CD1 4.2Å |
| 49 | L | 83.6 | Confident | 82.1 | Confident | 38 Ų | 38 | 54.1 Ų | 54.1 | 20% | 0.199 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 174.8 | -72.7 | 170.2 | 0 | 0 | 0 | 111.6 | S45 R47 N52 E53 Y257 L262 | S45-L49 WeakPolarHBondContact O-CG 3.25Å; S45-L49 PolarHBondContact O-N 2.82Å; R47-L49 PolarHBondContact O-N 3.22Å; L49-N52 PolarHBondContact O-N 3.46Å; L49-E53 WeakPolarHBondContact O-CG 3.46Å; L49-E53 PolarHBondContact O-N 2.88Å; L49-Y257 HydrophobicContact CB-CD2 4.32Å; L49-Y257 HydrophobicContact CB-CG 4.48Å; L49-Y257 HydrophobicContact CD1-CD2 4.29Å; L49-L262 HydrophobicContact CD1-CD1 4Å; L49-L262 HydrophobicContact CD1-CD2 4.31Å; L49-L262 HydrophobicContact CD1-CG 3.92Å |
| 50 | F | 87.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 177.6 | -178.8 | -104.5 | 0 | 0 | 0 | 112.8 | L32 R46 R47 L48 N52 E53 L54 L252 T255 I306 L309 F315 | L32-F50 HydrophobicContact CD1-CE1 4.44Å; R46-F50 WeakPolarHBondContact O-CB 3.41Å; R46-F50 PolarHBondContact O-N 3.19Å; R46-F50 VanDerWaalsContact O-N 3.1Å; R47-F50 PolarHBondContact O-N 3.23Å; L48-F50 VanDerWaalsContact C-N 3.32Å; L48-F50 PolarHBondContact O-N 3.14Å; F50-N52 VanDerWaalsContact C-N 3.34Å; F50-N52 PolarHBondContact O-N 3.25Å; F50-E53 PolarHBondContact O-N 2.98Å; F50-L54 HydrophobicContact CD1-CD1 3.92Å; F50-L54 HydrophobicContact CE1-CD1 3.52Å; F50-L54 HydrophobicContact CE1-CG 4.18Å; F50-L54 HydrophobicContact CZ-CD1 4.11Å; F50-L54 HydrophobicContact CZ-CD2 4.47Å; F50-L54 HydrophobicContact CZ-CG 4.37Å; F50-L54 PolarHBondContact O-N 2.92Å; F50-L252 HydrophobicContact CE1-CD2 4.03Å; F50-L252 HydrophobicContact CZ-CD2 4Å; F50-T255 VanDerWaalsContact CE2-OG1 3.31Å; F50-T255 WeakPolarHBondContact CE2-OG1 3.32Å; F50-I306 HydrophobicContact CE1-CD1 3.97Å; F50-I306 HydrophobicContact CZ-CB 4.2Å; F50-I306 HydrophobicContact CZ-CD1 4.22Å; F50-L309 HydrophobicContact CB-CD1 3.99Å; F50-L309 HydrophobicContact CD1-CD1 3.72Å; F50-L309 HydrophobicContact CD2-CD1 3.47Å; F50-L309 VanDerWaalsContact CD2-CD1 3.47Å; F50-L309 HydrophobicContact CE1-CD1 4Å; F50-L309 HydrophobicContact CE2-CD1 3.76Å; F50-L309 HydrophobicContact CG-CD1 3.44Å; F50-L309 VanDerWaalsContact CG-CD1 3.44Å; F50-L309 HydrophobicContact CZ-CD1 4.02Å; F50-F315 AromaticContact CD1-CE2 3.83Å; F50-F315 HydrophobicContact CD1-CE2 3.83Å; F50-F315 HydrophobicContact CD1-CZ 4.35Å; F50-F315 HydrophobicContact CE1-CE2 4.24Å |
| 51 | L | 88.3 | Confident | 84.4 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.2 | -35.5 | 177.6 | -64.7 | 179.3 | 0 | 0 | 0 | 112 | L32 R47 L48 L54 A55 I61 V63 L85 V155 F315 | L32-L51 HydrophobicContact CD1-CD2 4.25Å; R47-L51 VanDerWaalsContact O-CG 3.3Å; R47-L51 WeakPolarHBondContact O-CG 3.34Å; R47-L51 PolarHBondContact O-N 3.34Å; L48-L51 PolarHBondContact O-N 2.87Å; L51-L54 HydrophobicContact CD2-CD1 4.09Å; L51-L54 WeakPolarHBondContact O-CB 3.44Å; L51-L54 PolarHBondContact O-N 3.38Å; L51-A55 PolarHBondContact O-N 2.9Å; L51-I61 HydrophobicContact CB-CD1 4.24Å; L51-I61 HydrophobicContact CD2-CD1 4.38Å; L51-I61 WeakPolarHBondContact O-CD1 3.42Å; L51-V63 HydrophobicContact CD1-CG2 4.39Å; L51-L85 HydrophobicContact CB-CD2 3.85Å; L51-L85 HydrophobicContact CD1-CD2 4.08Å; L51-V155 HydrophobicContact CD1-CG1 4.49Å; L51-V155 HydrophobicContact CD2-CG1 3.91Å; L51-F315 HydrophobicContact CD2-CZ 4.33Å |
| 52 | N | 86.1 | Confident | 85.3 | Confident | 46 Ų | 46 | 38.7 Ų | 38.7 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 172.8 | -79.7 | -19.2 | 0 | 0 | 0 | 111.9 | L48 L49 F50 L54 A55 K56 L85 | L48-N52 WeakPolarHBondContact O-CB 3.39Å; L48-N52 PolarHBondContact O-N 3.38Å; L49-N52 PolarHBondContact O-N 3.46Å; F50-N52 VanDerWaalsContact C-N 3.34Å; F50-N52 PolarHBondContact O-N 3.25Å; N52-L54 VanDerWaalsContact C-N 3.29Å; N52-L54 PolarHBondContact O-N 3.12Å; N52-A55 PolarHBondContact O-N 3.38Å; N52-K56 WeakPolarHBondContact O-CG 3.5Å; N52-K56 PolarHBondContact O-N 3.46Å; N52-L85 WeakPolarHBondContact OD1-CB 3.44Å |
| 53 | E | 85 | Confident | 85.9 | Confident | 45 Ų | 45 | 33.9 Ų | 33.9 | 21% | 0.21 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -33 | 173.8 | -70.7 | -62.1 | 125.2 | 0 | 0 | 112.5 | L49 F50 K56 | L49-E53 WeakPolarHBondContact O-CG 3.46Å; L49-E53 PolarHBondContact O-N 2.88Å; F50-E53 PolarHBondContact O-N 2.98Å; E53-K56 IonicContact OE1-NZ 3.03Å; E53-K56 PolarHBondContact OE1-NZ 2.97Å |
| 54 | L | 88.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68 | -42.5 | 172.2 | -71.3 | 171.4 | 0 | 0 | 0 | 112.1 | F50 L51 N52 K56 Q57 I59 I61 I251 L252 T255 | F50-L54 HydrophobicContact CD1-CD1 3.92Å; F50-L54 HydrophobicContact CE1-CD1 3.52Å; F50-L54 HydrophobicContact CE1-CG 4.18Å; F50-L54 HydrophobicContact CZ-CD1 4.11Å; F50-L54 HydrophobicContact CZ-CD2 4.47Å; F50-L54 HydrophobicContact CZ-CG 4.37Å; F50-L54 PolarHBondContact O-N 2.92Å; L51-L54 HydrophobicContact CD2-CD1 4.09Å; L51-L54 WeakPolarHBondContact O-CB 3.44Å; L51-L54 PolarHBondContact O-N 3.38Å; N52-L54 VanDerWaalsContact C-N 3.29Å; N52-L54 PolarHBondContact O-N 3.12Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.46Å; L54-Q57 WeakPolarHBondContact O-CA 3.26Å; L54-Q57 WeakPolarHBondContact O-CB 3.39Å; L54-Q57 PolarHBondContact O-N 3.33Å; L54-I59 HydrophobicContact CB-CD1 4.26Å; L54-I59 HydrophobicContact CD2-CD1 3.69Å; L54-I59 WeakPolarHBondContact O-CB 3.17Å; L54-I59 PolarHBondContact O-N 2.89Å; L54-I61 HydrophobicContact CB-CD1 4Å; L54-I251 HydrophobicContact CD2-CG2 4.05Å; L54-L252 HydrophobicContact CD1-CD2 3.74Å; L54-L252 HydrophobicContact CD2-CD2 3.85Å; L54-L252 HydrophobicContact CG-CD2 4.47Å; L54-T255 HydrophobicContact CD2-CG2 3.86Å |
| 55 | A | 86.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L51 N52 Q57 K58 I61 T74 P83 | L51-A55 PolarHBondContact O-N 2.9Å; N52-A55 PolarHBondContact O-N 3.38Å; A55-Q57 PolarHBondContact O-N 3.03Å; A55-Q57 VanDerWaalsContact O-N 3.14Å; A55-K58 WeakPolarHBondContact O-CA 3.41Å; A55-K58 PolarHBondContact O-N 3.27Å; A55-I61 HydrophobicContact CB-CD1 4.46Å; A55-T74 HydrophobicContact CB-CG2 3.71Å; A55-P83 WeakPolarHBondContact O-CG 3.33Å |
| 56 | K | 85.9 | Confident | 86.2 | Confident | 102 Ų | 102 | 30.9 Ų | 30.9 | 44% | 0.443 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.2 | -25.5 | 173.5 | -69.9 | 175.6 | -173.3 | 173.6 | 0 | 113.8 | N52 E53 L54 K58 | N52-K56 WeakPolarHBondContact O-CG 3.5Å; N52-K56 PolarHBondContact O-N 3.46Å; E53-K56 IonicContact OE1-NZ 3.03Å; E53-K56 PolarHBondContact OE1-NZ 2.97Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.46Å; K56-K58 PolarHBondContact O-N 2.91Å |
| 57 | Q | 84.7 | Confident | 85.7 | Confident | 80 Ų | 80 | 31.3 Ų | 31.3 | 37% | 0.374 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 17.6 | 173.9 | -60.5 | -64.3 | -50.5 | 0 | 0 | 112.9 | L54 A55 I59 I251 T255 | L54-Q57 WeakPolarHBondContact O-CA 3.26Å; L54-Q57 WeakPolarHBondContact O-CB 3.39Å; L54-Q57 PolarHBondContact O-N 3.33Å; A55-Q57 PolarHBondContact O-N 3.03Å; A55-Q57 VanDerWaalsContact O-N 3.14Å; Q57-I59 HydrophobicContact CB-CD1 4.42Å; Q57-I59 HydrophobicContact CB-CG1 4.47Å; Q57-I59 PolarHBondContact O-N 3.06Å; Q57-I251 HydrophobicContact CB-CG2 4.41Å; Q57-I251 HydrophobicContact CG-CG2 4.41Å; Q57-T255 HydrophobicContact CG-CG2 4.21Å |
| 58 | K | 86.8 | Confident | 85.3 | Confident | 102 Ų | 102 | 30.5 Ų | 30.5 | 44% | 0.443 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 34.7 | -177.9 | -51.6 | -174.5 | 175.1 | -172.7 | 0 | 113 | A55 K56 S160 E162 A163 | A55-K58 WeakPolarHBondContact O-CA 3.41Å; A55-K58 PolarHBondContact O-N 3.27Å; K56-K58 PolarHBondContact O-N 2.91Å; K58-S160 WeakPolarHBondContact CB-OG 3.01Å; K58-S160 VanDerWaalsContact O-CB 3.29Å; K58-S160 WeakPolarHBondContact O-CB 3.39Å; K58-S160 PolarHBondContact O-N 3.44Å; K58-S160 PolarHBondContact O-OG 2.83Å; K58-E162 HydrophobicContact CD-CB 4.02Å; K58-E162 WeakPolarHBondContact CD-OE2 3.34Å; K58-E162 WeakPolarHBondContact CE-OE2 3.45Å; K58-E162 IonicContact NZ-OE2 2.91Å; K58-E162 PolarHBondContact NZ-OE2 3.29Å; K58-A163 HydrophobicContact CB-CB 4.39Å |
| 59 | I | 89.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.7 | 170.3 | -61.4 | 171 | 0 | 0 | 0 | 108.3 | L54 Q57 I61 L157 L248 I251 | L54-I59 HydrophobicContact CB-CD1 4.26Å; L54-I59 HydrophobicContact CD2-CD1 3.69Å; L54-I59 WeakPolarHBondContact O-CB 3.17Å; L54-I59 PolarHBondContact O-N 2.89Å; Q57-I59 HydrophobicContact CB-CD1 4.42Å; Q57-I59 HydrophobicContact CB-CG1 4.47Å; Q57-I59 PolarHBondContact O-N 3.06Å; I59-I61 HydrophobicContact CG2-CG1 4.23Å; I59-L157 HydrophobicContact CG2-CB 4.25Å; I59-L157 HydrophobicContact CG2-CD2 4.2Å; I59-L248 HydrophobicContact CD1-CD2 3.83Å; I59-L248 HydrophobicContact CG1-CD2 4.09Å; I59-L248 HydrophobicContact CG2-CD2 4.11Å; I59-I251 HydrophobicContact CD1-CB 4.24Å; I59-I251 HydrophobicContact CD1-CD1 3.95Å; I59-I251 HydrophobicContact CD1-CG2 3.63Å; I59-I251 HydrophobicContact CG1-CD1 4.41Å |
| 60 | E | 89.7 | Confident | 85.2 | Confident | 54 Ų | 54 | 31.9 Ų | 31.9 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 134.9 | 177.7 | -62.1 | 172.4 | -157.1 | 0 | 0 | 109.5 | R26 L157 H158 | R26-E60 WeakPolarHBondContact CD-OE2 3.43Å; R26-E60 IonicContact CZ-OE2 3.2Å; R26-E60 IonicContact NE-OE2 2.68Å; R26-E60 PolarHBondContact NE-OE2 3.38Å; R26-E60 IonicContact NH1-OE2 2.86Å; R26-E60 PolarHBondContact NH1-OE2 2.89Å; E60-L157 WeakPolarHBondContact O-CA 3.27Å; E60-H158 HydrophobicContact CB-CB 4.35Å; E60-H158 PolarHBondContact N-O 3.12Å; E60-H158 PolarHBondContact O-N 3.22Å; E60-H158 IonicContact OE2-CD2 2.91Å |
| 61 | I | 90.6 | Very high | 85 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.1 | -165.2 | -52.6 | 179.8 | 0 | 0 | 0 | 108.6 | L51 L54 A55 I59 V63 A73 T74 L85 V155 K156 L157 | L51-I61 HydrophobicContact CB-CD1 4.24Å; L51-I61 HydrophobicContact CD2-CD1 4.38Å; L51-I61 WeakPolarHBondContact O-CD1 3.42Å; L54-I61 HydrophobicContact CB-CD1 4Å; A55-I61 HydrophobicContact CB-CD1 4.46Å; I59-I61 HydrophobicContact CG2-CG1 4.23Å; I61-V63 HydrophobicContact CG2-CG2 4.2Å; I61-A73 VanDerWaalsContact O-CA 3.26Å; I61-A73 WeakPolarHBondContact O-CA 3.32Å; I61-T74 WeakPolarHBondContact CB-OG1 3.46Å; I61-T74 PolarHBondContact N-OG1 3.03Å; I61-T74 PolarHBondContact O-N 3.08Å; I61-T74 PolarHBondContact O-OG1 2.9Å; I61-L85 HydrophobicContact CB-CD1 4.14Å; I61-L85 HydrophobicContact CG2-CD1 4.25Å; I61-V155 HydrophobicContact CG2-CG1 3.47Å; I61-V155 VanDerWaalsContact CG2-CG1 3.47Å; I61-K156 WeakPolarHBondContact CA-O 3.28Å; I61-L157 HydrophobicContact CB-CD2 4.42Å; I61-L157 HydrophobicContact CD1-CD2 4.33Å; I61-L157 HydrophobicContact CG1-CD2 3.84Å; I61-L157 HydrophobicContact CG2-CD2 4.14Å |
| 62 | E | 89.3 | Confident | 84.7 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122 | 166.2 | -84.1 | -178.6 | -176.3 | 0 | 0 | 109 | F21 R22 R26 L70 A73 V155 K156 | F21-E62 WeakPolarHBondContact CA-OE2 3.39Å; F21-E62 WeakPolarHBondContact CB-OE2 3.37Å; F21-E62 HydrophobicContact CD1-CB 3.93Å; F21-E62 HydrophobicContact CD1-CG 3.37Å; F21-E62 VanDerWaalsContact CD1-OE1 3.31Å; F21-E62 WeakPolarHBondContact CD1-OE1 3.41Å; F21-E62 WeakPolarHBondContact CD1-OE2 3.26Å; F21-E62 HydrophobicContact CE1-CB 3.75Å; F21-E62 HydrophobicContact CE1-CG 3.56Å; F21-E62 HydrophobicContact CG-CG 4.35Å; F21-E62 HydrophobicContact CZ-CB 4.47Å; R22-E62 PolarHBondContact N-OE2 3.47Å; R26-E62 IonicContact NH2-OE1 3.78Å; R26-E62 PolarHBondContact NH2-OE1 2.63Å; E62-L70 HydrophobicContact CB-CD1 4.15Å; E62-L70 HydrophobicContact CG-CD1 4.05Å; E62-A73 HydrophobicContact CG-CB 4.34Å; E62-V155 CarbonylContact O-C 3.54Å; E62-V155 WeakPolarHBondContact O-CA 3.41Å; E62-K156 HydrophobicContact CB-CB 4.34Å; E62-K156 PolarHBondContact N-O 3.2Å; E62-K156 PolarHBondContact O-N 3.05Å |
| 63 | V | 89.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.6 | 175.1 | -172.8 | 0 | 0 | 0 | 0 | 108 | L51 I61 L71 G72 V153 V155 | L51-V63 HydrophobicContact CD1-CG2 4.39Å; I61-V63 HydrophobicContact CG2-CG2 4.2Å; V63-L71 HydrophobicContact CB-CB 4.31Å; V63-L71 HydrophobicContact CG1-CB 4.02Å; V63-L71 HydrophobicContact CG1-CD1 4.22Å; V63-L71 PolarHBondContact O-N 3.41Å; V63-G72 PolarHBondContact N-O 3.23Å; V63-G72 PolarHBondContact O-N 3.37Å; V63-V153 HydrophobicContact CG1-CG1 3.54Å; V63-V155 HydrophobicContact CG1-CG2 4.31Å; V63-V155 HydrophobicContact CG2-CG1 4.27Å; V63-V155 HydrophobicContact CG2-CG2 4.25Å |
| 64 | E | 86.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 140.1 | -180 | -63.9 | -175.9 | -166 | 0 | 0 | 111 | N69 L70 V153 F154 K156 R763 N764 | E64-N69 VanDerWaalsContact CA-O 3.32Å; E64-N69 WeakPolarHBondContact CA-O 3.22Å; E64-L70 HydrophobicContact CG-CD1 4.3Å; E64-V153 WeakPolarHBondContact O-CG1 3.39Å; E64-F154 PolarHBondContact N-O 3.37Å; E64-F154 PolarHBondContact O-N 3.46Å; E64-K156 IonicContact OE1-NZ 2.68Å; E64-K156 PolarHBondContact OE1-NZ 3.12Å; E64-K156 IonicContact OE2-NZ 3.57Å; E64-K156 PolarHBondContact OE2-NZ 3.33Å; E64-R763 IonicContact OE1-CZ 3.39Å; E64-R763 IonicContact OE1-NE 3.03Å; E64-R763 PolarHBondContact OE1-NE 3.23Å; E64-R763 IonicContact OE1-NH2 2.89Å; E64-R763 PolarHBondContact OE1-NH2 2.9Å; E64-R763 IonicContact OE2-NE 3.62Å; E64-R763 PolarHBondContact OE2-NE 3.02Å; E64-N764 WeakPolarHBondContact CB-ND2 3.37Å; E64-N764 VanDerWaalsContact OE2-CG 3.27Å; E64-N764 PolarHBondContact OE2-ND2 2.96Å; E64-N764 PolarHBondContact OE2-OD1 2.96Å |
| 65 | D | 83.6 | Confident | 83.3 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 15% | 0.15 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 178.4 | 169.4 | 78.1 | 1.1 | 0 | 0 | 0 | 112 | N67 G68 N69 L71 N764 | D65-N67 PolarHBondContact O-N 2.95Å; D65-N67 VanDerWaalsContact O-N 3.13Å; D65-N67 VanDerWaalsContact OD1-C 3.32Å; D65-N67 WeakPolarHBondContact OD1-CA 3.43Å; D65-N67 WeakPolarHBondContact OD1-CB 3.48Å; D65-N67 PolarHBondContact OD1-N 3.17Å; D65-G68 PolarHBondContact O-N 2.89Å; D65-G68 VanDerWaalsContact O-N 3.09Å; D65-G68 PolarHBondContact OD1-N 3.28Å; D65-N69 PolarHBondContact N-O 2.75Å; D65-N69 WeakPolarHBondContact OD1-CB 3.48Å; D65-N69 PolarHBondContact OD1-N 2.94Å; D65-N69 WeakPolarHBondContact OD2-CB 3.28Å; D65-N69 PolarHBondContact OD2-ND2 3.36Å; D65-L71 HydrophobicContact CB-CD1 4.17Å; D65-L71 HydrophobicContact CB-CD2 4.38Å; D65-L71 HydrophobicContact CB-CG 4.34Å; D65-N764 PolarHBondContact O-ND2 3.42Å; D65-N764 VanDerWaalsContact O-ND2 3.13Å |
| 66 | S | 75.3 | Confident | 81.8 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.1 | 178.3 | 47.7 | 0 | 0 | 0 | 0 | 115 | D150 L152 R768 | S66-D150 WeakPolarHBondContact CB-O 3.31Å; S66-D150 PolarHBondContact OG-O 3.37Å; S66-L152 WeakPolarHBondContact CB-O 3.47Å; S66-L152 PolarHBondContact N-O 3.16Å; S66-R768 VanDerWaalsContact CB-NH2 3.26Å; S66-R768 PolarHBondContact O-NH2 3.4Å |
| 67 | N | 72.5 | Confident | 79.9 | Confident | 42 Ų | 42 | 35.5 Ų | 35.5 | 23% | 0.225 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -2.9 | 178.8 | -57.6 | -38.5 | 0 | 0 | 0 | 112.2 | D65 L760 S761 | D65-N67 PolarHBondContact O-N 2.95Å; D65-N67 VanDerWaalsContact O-N 3.13Å; D65-N67 VanDerWaalsContact OD1-C 3.32Å; D65-N67 WeakPolarHBondContact OD1-CA 3.43Å; D65-N67 WeakPolarHBondContact OD1-CB 3.48Å; D65-N67 PolarHBondContact OD1-N 3.17Å; N67-L760 WeakPolarHBondContact OD1-CD1 3.46Å; N67-S761 VanDerWaalsContact O-CB 3.22Å; N67-S761 WeakPolarHBondContact O-CB 3.34Å; N67-S761 PolarHBondContact O-OG 3.24Å |
| 68 | G | 76.9 | Confident | 77.9 | Confident | 4 Ų | 4 | 38 Ų | 38 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | trans | 86.1 | 11 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R22 D65 | R22-G68 PolarHBondContact NH1-O 3.48Å; D65-G68 PolarHBondContact O-N 2.89Å; D65-G68 VanDerWaalsContact O-N 3.09Å; D65-G68 PolarHBondContact OD1-N 3.28Å | ||
| 69 | N | 83 | Confident | 76.1 | Confident | 85 Ų | 85 | 43 Ų | 43 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | trans | -71.8 | 130.7 | 172.8 | -56.9 | -47.1 | 0 | 0 | 0 | 109.8 | E64 D65 L71 | E64-N69 VanDerWaalsContact CA-O 3.32Å; E64-N69 WeakPolarHBondContact CA-O 3.22Å; D65-N69 PolarHBondContact N-O 2.75Å; D65-N69 WeakPolarHBondContact OD1-CB 3.48Å; D65-N69 PolarHBondContact OD1-N 2.94Å; D65-N69 WeakPolarHBondContact OD2-CB 3.28Å; D65-N69 PolarHBondContact OD2-ND2 3.36Å; N69-L71 PolarHBondContact O-N 2.87Å | ||
| 70 | L | 83.2 | Confident | 74.1 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 20% | 0.199 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 115.5 | -179.9 | -172.5 | 74.1 | 0 | 0 | 0 | 109.9 | E62 E64 G72 A73 | E62-L70 HydrophobicContact CB-CD1 4.15Å; E62-L70 HydrophobicContact CG-CD1 4.05Å; E64-L70 HydrophobicContact CG-CD1 4.3Å; L70-G72 WeakPolarHBondContact CD1-O 3.47Å; L70-A73 HydrophobicContact CD1-CB 4.33Å; L70-A73 HydrophobicContact CD2-CB 4.17Å |
| 71 | L | 81.9 | Confident | 72.1 | Confident | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -31 | 177.8 | -56.7 | -177.9 | 0 | 0 | 0 | 112.1 | V63 D65 N69 K88 F91 V153 | V63-L71 HydrophobicContact CB-CB 4.31Å; V63-L71 HydrophobicContact CG1-CB 4.02Å; V63-L71 HydrophobicContact CG1-CD1 4.22Å; V63-L71 PolarHBondContact O-N 3.41Å; D65-L71 HydrophobicContact CB-CD1 4.17Å; D65-L71 HydrophobicContact CB-CD2 4.38Å; D65-L71 HydrophobicContact CB-CG 4.34Å; N69-L71 PolarHBondContact O-N 2.87Å; L71-K88 PolarHBondContact O-N 3.41Å; L71-F91 HydrophobicContact CD1-CD2 4.25Å; L71-F91 HydrophobicContact CD1-CE2 3.61Å; L71-F91 HydrophobicContact CD1-CZ 3.87Å; L71-F91 HydrophobicContact CD2-CD2 3.72Å; L71-F91 HydrophobicContact CD2-CE2 3.66Å; L71-F91 HydrophobicContact CG-CD2 4.44Å; L71-F91 HydrophobicContact CG-CE2 4.2Å; L71-V153 HydrophobicContact CD1-CG1 3.83Å; L71-V153 HydrophobicContact CD1-CG2 4.12Å |
| 72 | G | 82.3 | Confident | 70.2 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 155.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V63 L70 T86 | V63-G72 PolarHBondContact N-O 3.23Å; V63-G72 PolarHBondContact O-N 3.37Å; L70-G72 WeakPolarHBondContact CD1-O 3.47Å; G72-T86 WeakPolarHBondContact CA-O 3.31Å |
| 73 | A | 83.7 | Confident | 68.5 | Low | 19 Ų | 19 | 61.9 Ų | 61.9 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 156.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I61 E62 L70 T86 | I61-A73 VanDerWaalsContact O-CA 3.26Å; I61-A73 WeakPolarHBondContact O-CA 3.32Å; E62-A73 HydrophobicContact CG-CB 4.34Å; L70-A73 HydrophobicContact CD1-CB 4.33Å; L70-A73 HydrophobicContact CD2-CB 4.17Å; A73-T86 PolarHBondContact N-O 2.71Å; A73-T86 PolarHBondContact O-N 3.42Å; A73-T86 PolarHBondContact O-OG1 3.19Å |
| 74 | T | 80.6 | Confident | 66.8 | Low | 25 Ų | 25 | 64.9 Ų | 64.9 | 15% | 0.153 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 126.8 | 168.8 | -14.1 | 0 | 0 | 0 | 0 | 109.1 | A55 I61 P83 | A55-T74 HydrophobicContact CB-CG2 3.71Å; I61-T74 WeakPolarHBondContact CB-OG1 3.46Å; I61-T74 PolarHBondContact N-OG1 3.03Å; I61-T74 PolarHBondContact O-N 3.08Å; I61-T74 PolarHBondContact O-OG1 2.9Å; T74-P83 HydrophobicContact CG2-CB 4.02Å |
| 75 | V | 66.6 | Low | 65.5 | Low | 79 Ų | 79 | 65.5 Ų | 65.5 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132 | 173.8 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | S77 T86 | V75-S77 PolarHBondContact O-N 3.29Å; V75-S77 VanDerWaalsContact O-N 3.15Å; V75-T86 VanDerWaalsContact CG2-OG1 3.32Å; V75-T86 WeakPolarHBondContact CG2-OG1 3.39Å |
| 76 | A | 55.4 | Low | 64.2 | Low | 93 Ų | 93 | 67.5 Ų | 67.5 | 77% | 0.769 | 38% | 0.382 | S | S | * | . | trans | -70.5 | 104.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 77 | S | 45.2 | Very low | 63.3 | Low | 46 Ų | 46 | 70.5 Ų | 70.5 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | trans | -68.9 | 164.1 | 160 | 40.3 | 0 | 0 | 0 | 0 | 109.4 | V75 D81 F82 | V75-S77 PolarHBondContact O-N 3.29Å; V75-S77 VanDerWaalsContact O-N 3.15Å; S77-D81 PolarHBondContact OG-O 2.99Å; S77-F82 PolarHBondContact OG-O 3.25Å | ||
| 78 | N | 42.9 | Very low | 62.3 | Low | 133 Ų | 133 | 73.6 Ų | 73.6 | 71% | 0.711 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -35.7 | 149.7 | -177.7 | -63.7 | -29.2 | 0 | 0 | 0 | 114.1 | D80 D81 | N78-D80 PolarHBondContact O-N 3.25Å; N78-D81 PolarHBondContact O-N 2.8Å |
| 79 | E | 48.7 | Very low | 60.3 | Low | 205 Ų | 205 | 78.7 Ų | 78.7 | 96% | 0.958 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -17 | -169.6 | -73.7 | -175.7 | 149.5 | 0 | 0 | 116.5 | ||
| 80 | D | 47.7 | Very low | 58 | Low | 158 Ų | 158 | 77.9 Ų | 77.9 | 85% | 0.845 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -6.9 | -179.1 | -62 | -42.8 | 0 | 0 | 0 | 115.6 | N78 | N78-D80 PolarHBondContact O-N 3.25Š|
| 81 | D | 48.6 | Very low | 55.9 | Low | 109 Ų | 109 | 79 Ų | 79 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -105.4 | 136.2 | -177 | -80.7 | -34.6 | 0 | 0 | 0 | 113.3 | S77 N78 | S77-D81 PolarHBondContact OG-O 2.99Å; N78-D81 PolarHBondContact O-N 2.8Å |
| 82 | F | 50.8 | Low | 53.8 | Low | 163 Ų | 163 | 84.1 Ų | 84.1 | 72% | 0.715 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 134.6 | 178.7 | -74.8 | -82.4 | 0 | 0 | 0 | 112.2 | S77 S84 | S77-F82 PolarHBondContact OG-O 3.25Å; F82-S84 PolarHBondContact O-N 3.47Å |
| 83 | P | 53.2 | Low | 51.3 | Low | 38 Ų | 38 | 90.8 Ų | 90.8 | 25% | 0.247 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -62 | 123.7 | 179.6 | 24.3 | -32.7 | 0 | 0 | 0 | 110.6 | A55 T74 | A55-P83 WeakPolarHBondContact O-CG 3.33Å; T74-P83 HydrophobicContact CG2-CB 4.02Å |
| 84 | S | 54 | Low | 48.9 | Very low | 65 Ų | 65 | 95.8 Ų | 95.8 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142 | 175.7 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | F82 T86 | F82-S84 PolarHBondContact O-N 3.47Å; S84-T86 PolarHBondContact O-N 2.98Å |
| 85 | L | 60.5 | Low | 46.4 | Very low | 14 Ų | 14 | 102.4 Ų | 102.4 | 7% | 0.073 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.6 | 115.3 | 173.7 | -170.6 | 74.5 | 0 | 0 | 0 | 108.5 | L48 L51 N52 I61 | L48-L85 HydrophobicContact CD1-CD2 3.8Å; L51-L85 HydrophobicContact CB-CD2 3.85Å; L51-L85 HydrophobicContact CD1-CD2 4.08Å; N52-L85 WeakPolarHBondContact OD1-CB 3.44Å; I61-L85 HydrophobicContact CB-CD1 4.14Å; I61-L85 HydrophobicContact CG2-CD1 4.25Å |
| 86 | T | 56.4 | Low | 44.5 | Very low | 70 Ų | 70 | 104.1 Ų | 104.1 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 109.5 | 171.5 | 49.4 | 0 | 0 | 0 | 0 | 108.6 | G72 A73 V75 S84 | G72-T86 WeakPolarHBondContact CA-O 3.31Å; A73-T86 PolarHBondContact N-O 2.71Å; A73-T86 PolarHBondContact O-N 3.42Å; A73-T86 PolarHBondContact O-OG1 3.19Å; V75-T86 VanDerWaalsContact CG2-OG1 3.32Å; V75-T86 WeakPolarHBondContact CG2-OG1 3.39Å; S84-T86 PolarHBondContact O-N 2.98Å |
| 87 | L | 55.3 | Low | 43.3 | Very low | 77 Ų | 77 | 105.1 Ų | 105.1 | 40% | 0.403 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.5 | 136.4 | 167.1 | -76.7 | 164.5 | 0 | 0 | 0 | 108.3 | L48 | L48-L87 HydrophobicContact CD1-CD1 3.54Å; L48-L87 HydrophobicContact CD1-CG 4.2Å; L48-L87 HydrophobicContact CD2-CD1 3.79Å; L48-L87 HydrophobicContact CG-CD1 4.2Å |
| 88 | K | 51.2 | Low | 42.6 | Very low | 107 Ų | 107 | 107 Ų | 107 | 47% | 0.465 | 60% | 0.599 | S | S | . | * | trans | -64.5 | 135.6 | 172.9 | -77.1 | -175 | 177.3 | 176.6 | 0 | 109.3 | L71 S90 F91 | L71-K88 PolarHBondContact O-N 3.41Å; K88-S90 WeakPolarHBondContact CB-OG 3.25Å; K88-S90 PolarHBondContact O-N 2.86Å; K88-F91 PolarHBondContact O-N 2.91Å | ||
| 89 | P | 35 | Very low | 42 | Very low | 111 Ų | 111 | 106.9 Ų | 106.9 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -60 | -14.2 | 177.4 | 20.6 | -30 | 0 | 0 | 0 | 113.3 | F91 V92 | P89-F91 PolarHBondContact O-N 3.19Å; P89-V92 PolarHBondContact O-N 3.16Å; P89-V92 VanDerWaalsContact O-N 3.13Å |
| 90 | S | 35.8 | Very low | 41.1 | Very low | 67 Ų | 67 | 105 Ų | 105 | 47% | 0.469 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -63.4 | -2.9 | 173.6 | 54.2 | 0 | 0 | 0 | 0 | 115.2 | K88 V94 | K88-S90 WeakPolarHBondContact CB-OG 3.25Å; K88-S90 PolarHBondContact O-N 2.86Å; S90-V94 WeakPolarHBondContact O-CG2 3.37Å |
| 91 | F | 39.2 | Very low | 40.5 | Very low | 63 Ų | 63 | 106.2 Ų | 106.2 | 28% | 0.276 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -101 | -9.6 | 174.2 | -141.4 | -113.3 | 0 | 0 | 0 | 113.8 | F36 L71 K88 P89 | F36-F91 AromaticContact CD2-CE1 3.58Å; F36-F91 HydrophobicContact CD2-CE1 3.58Å; F36-F91 AromaticContact CD2-CZ 3.42Å; F36-F91 HydrophobicContact CD2-CZ 3.42Å; F36-F91 VanDerWaalsContact CD2-CZ 3.42Å; F36-F91 HydrophobicContact CE1-CZ 4.42Å; F36-F91 HydrophobicContact CE2-CD1 4.15Å; F36-F91 AromaticContact CE2-CE1 3.11Å; F36-F91 HydrophobicContact CE2-CE1 3.11Å; F36-F91 HydrophobicContact CE2-CE2 4.38Å; F36-F91 AromaticContact CE2-CZ 3.25Å; F36-F91 HydrophobicContact CE2-CZ 3.25Å; F36-F91 HydrophobicContact CG-CZ 4.11Å; F36-F91 AromaticContact CZ-CE1 3.86Å; F36-F91 HydrophobicContact CZ-CE1 3.86Å; F36-F91 AromaticContact CZ-CZ 3.78Å; F36-F91 HydrophobicContact CZ-CZ 3.78Å; L71-F91 HydrophobicContact CD1-CD2 4.25Å; L71-F91 HydrophobicContact CD1-CE2 3.61Å; L71-F91 HydrophobicContact CD1-CZ 3.87Å; L71-F91 HydrophobicContact CD2-CD2 3.72Å; L71-F91 HydrophobicContact CD2-CE2 3.66Å; L71-F91 HydrophobicContact CG-CD2 4.44Å; L71-F91 HydrophobicContact CG-CE2 4.2Å; K88-F91 PolarHBondContact O-N 2.91Å; P89-F91 PolarHBondContact O-N 3.19Å |
| 92 | V | 37.8 | Very low | 39.6 | Very low | 124 Ų | 124 | 107.6 Ų | 107.6 | 75% | 0.752 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -13.5 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | P89 | P89-V92 PolarHBondContact O-N 3.16Å; P89-V92 VanDerWaalsContact O-N 3.13Å |
| 93 | H | 29.4 | Very low | 38.8 | Very low | 140 Ų | 140 | 103.5 Ų | 103.5 | 65% | 0.648 | 62% | 0.621 | S | S | * | * | trans | -130.1 | 25.7 | -174.6 | -88.4 | -61.2 | 0 | 0 | 0 | 116.3 | Q95 | H93-Q95 PolarHBondContact O-N 3.02Š| ||
| 94 | V | 32.1 | Very low | 37.8 | Very low | 125 Ų | 125 | 109.9 Ų | 109.9 | 76% | 0.758 | 65% | 0.647 | S | S | * | * | trans | -79 | 55.1 | 165.5 | -163.5 | 0 | 0 | 0 | 0 | 110.5 | S90 | S90-V94 WeakPolarHBondContact O-CG2 3.37Š| ||
| 95 | Q | 28.1 | Very low | 36.7 | Very low | 164 Ų | 164 | 114.5 Ų | 114.5 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -144.1 | 117.4 | 159.6 | -81.3 | -177.3 | -24.1 | 0 | 0 | 104.2 | H93 | H93-Q95 PolarHBondContact O-N 3.02Š|
| 96 | S | 28.2 | Very low | 35.4 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 80.7 | 87 | -175 | 84.2 | 0 | 0 | 0 | 0 | 116.7 | ||
| 97 | S | 30 | Very low | 34 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | 176.6 | 67.5 | 144.2 | 36 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 98 | A | 30.4 | Very low | 32.8 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -71.2 | 134.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | L100 | A98-L100 PolarHBondContact O-N 3.48Š|
| 99 | P | 30.6 | Very low | 31.9 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | trans | -73 | 100.8 | -178.9 | 28.8 | -30.2 | 0 | 0 | 0 | 108.6 | ||||
| 100 | L | 29.6 | Very low | 31.5 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -100.7 | 106.3 | 162.4 | -93.5 | 154.3 | 0 | 0 | 0 | 107.3 | A98 | A98-L100 PolarHBondContact O-N 3.48Š| ||
| 101 | Q | 34.7 | Very low | 31.3 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -60.7 | 139.8 | 167.3 | -71.8 | 175.2 | -25.6 | 0 | 0 | 109.3 | ||||
| 102 | P | 30.6 | Very low | 30.7 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | trans | -81.5 | 120.6 | 174.7 | 31.5 | -28 | 0 | 0 | 0 | 109.3 | ||||
| 103 | G | 33 | Very low | 30.4 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -150.6 | 121.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 104 | E | 32.7 | Very low | 30.3 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -68.6 | 154.2 | -164.9 | -79.9 | 166 | 157.4 | 0 | 0 | 117.1 | ||||
| 105 | H | 31 | Very low | 30.3 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | 77.6 | 118.8 | 146.6 | -67.8 | -49.8 | 0 | 0 | 0 | 122.5 | ||||
| 106 | S | 32.2 | Very low | 30.2 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | 127.3 | 119.4 | 128.6 | -68.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 107 | E | 26.7 | Very low | 30.3 | Very low | 192 Ų | 192 | 141.3 Ų | 141.3 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -63.8 | 144 | -176.4 | -62.7 | 162.7 | 128.5 | 0 | 0 | 113.8 | ||||
| 108 | S | 31.4 | Very low | 30.2 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -171.7 | 120.5 | 132.1 | 38.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 109 | L | 31.9 | Very low | 30.4 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | 30.4 | 124.2 | 153.1 | -87 | 78 | 0 | 0 | 0 | 122.7 | ||||
| 110 | M | 25.7 | Very low | 30.3 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -63.4 | 169.9 | 164.8 | -65.3 | -120.3 | -169 | 0 | 0 | 114.4 | ||||
| 111 | P | 32.6 | Very low | 30.4 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | -138.4 | 151.6 | 84 | 30.2 | -11.2 | 0 | 0 | 0 | 116.1 | |||||
| 112 | N | 26.7 | Very low | 30.2 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | -51.5 | 140.7 | 173.4 | -72.1 | -35.8 | 0 | 0 | 0 | 115.5 | ||||
| 113 | S | 30.9 | Very low | 30.2 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -144.9 | 107.6 | 142.2 | 66 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 114 | S | 27 | Very low | 30 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -60.5 | 126.8 | 169.1 | 44.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 115 | I | 32.1 | Very low | 29.7 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -120.8 | 101.2 | 158.1 | -63.2 | 178.6 | 0 | 0 | 0 | 106.7 | Y117 | I115-Y117 HydrophobicContact CG2-CE2 4.34Å; I115-Y117 PolarHBondContact O-N 2.9Å | ||
| 116 | D | 26.9 | Very low | 29.7 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -59.5 | 118.9 | 168.9 | -73 | -41.8 | 0 | 0 | 0 | 110 | I118 | D116-I118 HydrophobicContact CB-CG1 4.4Å; D116-I118 PolarHBondContact O-N 3.45Å | ||
| 117 | Y | 29 | Very low | 29.8 | Very low | 218 Ų | 218 | 144.5 Ų | 144.5 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -90.8 | 93.4 | 157.2 | -83.8 | -83.5 | 0 | 0 | 0 | 108 | I115 E119 | I115-Y117 HydrophobicContact CG2-CE2 4.34Å; I115-Y117 PolarHBondContact O-N 2.9Å; Y117-E119 PolarHBondContact O-N 2.99Å; Y117-E119 VanDerWaalsContact O-N 3.15Å | ||
| 118 | I | 29.5 | Very low | 30.4 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -60.6 | 108.6 | 168.7 | -62.6 | 169.2 | 0 | 0 | 0 | 107.9 | D116 | D116-I118 HydrophobicContact CB-CG1 4.4Å; D116-I118 PolarHBondContact O-N 3.45Å | ||
| 119 | E | 32.9 | Very low | 30.8 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -75.1 | 120.8 | 166.7 | -160.9 | 167.4 | -164.5 | 0 | 0 | 107.4 | Y117 D121 | Y117-E119 PolarHBondContact O-N 2.99Å; Y117-E119 VanDerWaalsContact O-N 3.15Å; E119-D121 PolarHBondContact O-N 3.23Å | ||
| 120 | P | 30.1 | Very low | 31.3 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | trans | -68.6 | 128.3 | -172.7 | 26.2 | -32 | 0 | 0 | 0 | 110.5 | K122 | P120-K122 PolarHBondContact O-N 3.5Š| ||
| 121 | D | 30.8 | Very low | 32.4 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | trans | -40.4 | 121.8 | 173.7 | -73.1 | -43.8 | 0 | 0 | 0 | 112 | E119 P123 | E119-D121 PolarHBondContact O-N 3.23Å; D121-P123 WeakPolarHBondContact O-CD 3.22Å | ||
| 122 | K | 31.3 | Very low | 33 | Very low | 199 Ų | 199 | 126.9 Ų | 126.9 | 87% | 0.865 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 117.7 | 172.1 | -131.8 | 176.4 | -169.7 | 169.7 | 0 | 107.8 | P120 T124 | P120-K122 PolarHBondContact O-N 3.5Å; K122-T124 PolarHBondContact O-N 3.32Å; K122-T124 VanDerWaalsContact O-N 3.15Å |
| 123 | P | 29.7 | Very low | 33.6 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 62% | 0.623 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 119.2 | 177.1 | 27.2 | -33 | 0 | 0 | 0 | 109.3 | D121 | D121-P123 WeakPolarHBondContact O-CD 3.22Š|
| 124 | T | 28.6 | Very low | 34.4 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 82% | 0.816 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -49.9 | 137.5 | 154.3 | 37.2 | 0 | 0 | 0 | 0 | 108.9 | K122 | K122-T124 PolarHBondContact O-N 3.32Å; K122-T124 VanDerWaalsContact O-N 3.15Å |
| 125 | D | 27 | Very low | 35.4 | Very low | 160 Ų | 160 | 119.3 Ų | 119.3 | 86% | 0.856 | 64% | 0.642 | S | S | * | * | trans | 81.9 | 80.7 | -173.5 | -63.5 | -21.9 | 0 | 0 | 0 | 116.8 | ||||
| 126 | T | 31.3 | Very low | 36 | Very low | 122 Ų | 122 | 118 Ų | 118 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | trans | -145.3 | 123.1 | 153.2 | 43 | 0 | 0 | 0 | 0 | 112 | ||||
| 127 | S | 33.6 | Very low | 36.9 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 153.9 | 165.3 | 45.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 128 | P | 39.4 | Very low | 37.9 | Very low | 105 Ų | 105 | 110.5 Ų | 110.5 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 135.5 | 177.8 | 21.2 | -31.9 | 0 | 0 | 0 | 110 | S130 | P128-S130 PolarHBondContact O-N 3.06Š|
| 129 | P | 38.9 | Very low | 38.8 | Very low | 73 Ų | 73 | 104.1 Ų | 104.1 | 47% | 0.474 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 141.4 | -177.5 | 20 | -31.3 | 0 | 0 | 0 | 110.4 | D133 | P129-D133 HydrophobicContact CB-CB 3.94Š|
| 130 | S | 43.1 | Very low | 39.3 | Very low | 60 Ų | 60 | 98.3 Ų | 98.3 | 42% | 0.42 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 152.9 | 179.8 | 82.5 | 0 | 0 | 0 | 0 | 110.3 | P128 M132 D133 R134 | P128-S130 PolarHBondContact O-N 3.06Å; S130-M132 PolarHBondContact O-N 3.04Å; S130-D133 WeakPolarHBondContact CB-OD2 3.46Å; S130-D133 PolarHBondContact N-OD2 2.89Å; S130-D133 PolarHBondContact O-N 2.93Å; S130-D133 PolarHBondContact OG-N 3.11Å; S130-D133 PolarHBondContact OG-OD2 3.03Å; S130-R134 PolarHBondContact O-N 3.07Å |
| 131 | C | 47.8 | Very low | 40.3 | Very low | 90 Ų | 90 | 97.7 Ų | 97.7 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -49.7 | -34.5 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | R134 Y135 | C131-R134 PolarHBondContact O-N 3.34Å; C131-Y135 PolarHBondContact O-N 2.65Å |
| 132 | M | 45.3 | Very low | 41.4 | Very low | 67 Ų | 67 | 92.7 Ų | 92.7 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.4 | -32.3 | 176.3 | -72.2 | -59.2 | -55.4 | 0 | 0 | 113.9 | S130 R134 Y135 R136 M711 | S130-M132 PolarHBondContact O-N 3.04Å; M132-R134 VanDerWaalsContact C-N 3.33Å; M132-Y135 VanDerWaalsContact O-CB 3.3Å; M132-Y135 WeakPolarHBondContact O-CB 3.4Å; M132-Y135 PolarHBondContact O-N 2.8Å; M132-R136 PolarHBondContact O-N 3.33Å; M132-R136 VanDerWaalsContact O-N 3.08Å; M132-M711 HydrophobicContact CE-CE 3.23Å; M132-M711 HydrophobicContact CE-CG 4.4Å; M132-M711 HydrophobicContact CE-SD 3.58Å; M132-M711 VanDerWaalsContact CE-SD 3.58Å; M132-M711 HydrophobicContact SD-CE 4.26Å; M132-M711 HydrophobicContact SD-SD 4.15Å |
| 133 | D | 39.6 | Very low | 42.4 | Very low | 52 Ų | 52 | 89.8 Ų | 89.8 | 28% | 0.278 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73.6 | -24.8 | 178.3 | -65.1 | -53.7 | 0 | 0 | 0 | 112.4 | P129 S130 R136 Q137 | P129-D133 HydrophobicContact CB-CB 3.94Å; S130-D133 WeakPolarHBondContact CB-OD2 3.46Å; S130-D133 PolarHBondContact N-OD2 2.89Å; S130-D133 PolarHBondContact O-N 2.93Å; S130-D133 PolarHBondContact OG-N 3.11Å; S130-D133 PolarHBondContact OG-OD2 3.03Å; D133-R136 WeakPolarHBondContact O-CB 3.43Å; D133-R136 PolarHBondContact O-N 3.17Å; D133-R136 IonicContact OD1-CZ 3.98Å; D133-R136 IonicContact OD1-NH1 2.84Å; D133-R136 PolarHBondContact OD1-NH1 3.35Å; D133-Q137 PolarHBondContact O-N 3.09Å |
| 134 | R | 48.6 | Very low | 43.4 | Very low | 110 Ų | 110 | 88.5 Ų | 88.5 | 42% | 0.415 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.1 | -39.8 | 169 | -66.3 | -173.4 | -154.4 | 179.5 | 5 | 112 | S130 C131 M132 R136 Q137 Q138 | S130-R134 PolarHBondContact O-N 3.07Å; C131-R134 PolarHBondContact O-N 3.34Å; M132-R134 VanDerWaalsContact C-N 3.33Å; R134-R136 PolarHBondContact O-N 3.47Å; R134-Q137 PolarHBondContact O-N 2.85Å; R134-Q137 VanDerWaalsContact O-N 3.15Å; R134-Q138 PolarHBondContact O-N 2.84Å |
| 135 | Y | 47.2 | Very low | 44.7 | Very low | 43 Ų | 43 | 84.5 Ų | 84.5 | 17% | 0.169 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -57.7 | -32.9 | 171 | -117.2 | -62.5 | 0 | 0 | 0 | 112.1 | C131 M132 P712 L774 Q827 | C131-Y135 PolarHBondContact O-N 2.65Å; M132-Y135 VanDerWaalsContact O-CB 3.3Å; M132-Y135 WeakPolarHBondContact O-CB 3.4Å; M132-Y135 PolarHBondContact O-N 2.8Å; Y135-P712 HydrophobicContact CD1-CB 4.39Å; Y135-P712 HydrophobicContact CE1-CB 3.59Å; Y135-P712 HydrophobicContact CE1-CG 3.85Å; Y135-P712 WeakPolarHBondContact OH-CG 2.8Å; Y135-L774 HydrophobicContact CD2-CD1 3.87Å; Y135-L774 HydrophobicContact CD2-CD2 3.68Å; Y135-L774 HydrophobicContact CD2-CG 4.37Å; Y135-L774 HydrophobicContact CE1-CD1 4.25Å; Y135-L774 HydrophobicContact CE2-CD1 3.11Å; Y135-L774 HydrophobicContact CE2-CD2 3.86Å; Y135-L774 HydrophobicContact CE2-CG 4.06Å; Y135-L774 HydrophobicContact CG-CD2 4.37Å; Y135-L774 WeakPolarHBondContact OH-CD1 3.37Å; Y135-Q827 VanDerWaalsContact OH-CD 3.31Å; Y135-Q827 PolarHBondContact OH-OE1 3.02Å |
| 136 | R | 46.2 | Very low | 46.1 | Very low | 109 Ų | 109 | 78 Ų | 78 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.1 | -31.7 | 177.7 | -157.3 | 177.6 | -148.6 | 150.8 | 3.3 | 113.8 | M132 D133 R134 W715 F719 | M132-R136 PolarHBondContact O-N 3.33Å; M132-R136 VanDerWaalsContact O-N 3.08Å; D133-R136 WeakPolarHBondContact O-CB 3.43Å; D133-R136 PolarHBondContact O-N 3.17Å; D133-R136 IonicContact OD1-CZ 3.98Å; D133-R136 IonicContact OD1-NH1 2.84Å; D133-R136 PolarHBondContact OD1-NH1 3.35Å; R134-R136 PolarHBondContact O-N 3.47Å; R136-W715 HydrophobicContact CB-CZ2 4.18Å; R136-W715 HydrophobicContact CG-CZ2 3.64Å; R136-F719 HydrophobicContact CG-CE1 3.99Å; R136-F719 HydrophobicContact CG-CE2 4.14Å; R136-F719 HydrophobicContact CG-CZ 3.67Å |
| 137 | Q | 45.6 | Very low | 47.2 | Very low | 146 Ų | 146 | 75.7 Ų | 75.7 | 68% | 0.682 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -85.7 | -32.1 | 179.2 | -71.8 | 176.4 | -21.6 | 0 | 0 | 112.6 | D133 R134 A139 | D133-Q137 PolarHBondContact O-N 3.09Å; R134-Q137 PolarHBondContact O-N 2.85Å; R134-Q137 VanDerWaalsContact O-N 3.15Å; Q137-A139 PolarHBondContact O-N 2.86Å |
| 138 | Q | 48.7 | Very low | 48.2 | Very low | 50 Ų | 50 | 73 Ų | 73 | 23% | 0.234 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -77.3 | -15.2 | -177.5 | -79 | 165.2 | -1.9 | 0 | 0 | 114.9 | R134 N772 | R134-Q138 PolarHBondContact O-N 2.84Å; Q138-N772 PolarHBondContact NE2-O 3.36Å; Q138-N772 PolarHBondContact OE1-O 3.03Å |
| 139 | A | 48.7 | Very low | 49 | Very low | 13 Ų | 13 | 72.2 Ų | 72.2 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q137 K716 | Q137-A139 PolarHBondContact O-N 2.86Å; A139-K716 HydrophobicContact CB-CB 3.93Å; A139-K716 HydrophobicContact CB-CG 4.11Å |
| 140 | L | 43.8 | Very low | 50.1 | Low | 61 Ų | 61 | 70.5 Ų | 70.5 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -91.1 | 104.4 | 177.6 | -82.4 | 107.9 | 0 | 0 | 0 | 111.2 | I145 F719 | L140-I145 WeakPolarHBondContact O-CD1 3.39Å; L140-F719 HydrophobicContact CD1-CB 3.71Å; L140-F719 HydrophobicContact CD1-CD1 4.05Å; L140-F719 HydrophobicContact CD1-CG 4.09Å; L140-F719 HydrophobicContact CG-CB 4.26Å |
| 141 | D | 51 | Low | 51.7 | Low | 97 Ų | 97 | 73.1 Ų | 73.1 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | trans | 55.8 | 76.9 | 171.2 | -62.3 | -24.7 | 0 | 0 | 0 | 118.3 | K143 T144 I145 | D141-K143 PolarHBondContact O-N 2.66Å; D141-T144 WeakPolarHBondContact CB-OG1 2.82Å; D141-T144 PolarHBondContact O-N 2.68Å; D141-I145 PolarHBondContact O-N 2.68Å; D141-I145 VanDerWaalsContact O-N 3.11Å | ||
| 142 | D | 54.2 | Low | 53.4 | Low | 58 Ų | 58 | 68.9 Ų | 68.9 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -41.5 | -40.9 | 172.9 | -61.1 | 4.7 | 0 | 0 | 0 | 113.6 | L146 K327 K716 | D142-L146 VanDerWaalsContact O-CB 3.3Å; D142-L146 WeakPolarHBondContact O-CB 3.36Å; D142-L146 WeakPolarHBondContact O-CD1 3.44Å; D142-L146 WeakPolarHBondContact O-CG 3.29Å; D142-L146 PolarHBondContact O-N 3.24Å; D142-L146 VanDerWaalsContact O-N 3.1Å; D142-K327 IonicContact OD2-NZ 2.9Å; D142-K327 PolarHBondContact OD2-NZ 2.99Å; D142-K327 VanDerWaalsContact OD2-NZ 3.14Å; D142-K716 IonicContact OD1-NZ 3.62Å; D142-K716 PolarHBondContact OD1-NZ 3.27Å; D142-K716 IonicContact OD2-NZ 3.5Å; D142-K716 PolarHBondContact OD2-NZ 3.15Å |
| 143 | K | 52 | Low | 55.4 | Low | 137 Ų | 137 | 65.9 Ų | 65.9 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.6 | -40.4 | -176.6 | -73.8 | -172.2 | 177.2 | -174.5 | 0 | 112.2 | D141 M147 | D141-K143 PolarHBondContact O-N 2.66Å; K143-M147 WeakPolarHBondContact O-CG 3.35Å; K143-M147 PolarHBondContact O-N 3.48Å |
| 144 | T | 50.7 | Low | 57.9 | Low | 70 Ų | 70 | 63.4 Ų | 63.4 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.5 | -41.8 | -176.9 | -21 | 0 | 0 | 0 | 0 | 110.1 | D141 L146 M147 T148 | D141-T144 WeakPolarHBondContact CB-OG1 2.82Å; D141-T144 PolarHBondContact O-N 2.68Å; T144-L146 VanDerWaalsContact C-N 3.34Å; T144-L146 PolarHBondContact O-N 2.89Å; T144-M147 CarbonylContact O-C 3.57Å; T144-M147 PolarHBondContact O-N 2.73Å; T144-M147 VanDerWaalsContact O-N 3.11Å; T144-T148 WeakPolarHBondContact O-CG2 3.48Å; T144-T148 PolarHBondContact O-N 3.13Å |
| 145 | I | 55.4 | Low | 59.9 | Low | 48 Ų | 48 | 58.1 Ų | 58.1 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -36 | 175.7 | -60.9 | 177 | 0 | 0 | 0 | 111.7 | L140 D141 M147 T148 N772 | L140-I145 WeakPolarHBondContact O-CD1 3.39Å; D141-I145 PolarHBondContact O-N 2.68Å; D141-I145 VanDerWaalsContact O-N 3.11Å; I145-M147 PolarHBondContact O-N 3.2Å; I145-T148 PolarHBondContact O-OG1 2.95Å; I145-N772 WeakPolarHBondContact CG2-ND2 3Å |
| 146 | L | 57.7 | Low | 62.1 | Low | 24 Ų | 24 | 56.1 Ų | 56.1 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -25.1 | 175.2 | -76.9 | 161.8 | 0 | 0 | 0 | 112.2 | D142 T144 I765 R768 A769 | D142-L146 VanDerWaalsContact O-CB 3.3Å; D142-L146 WeakPolarHBondContact O-CB 3.36Å; D142-L146 WeakPolarHBondContact O-CD1 3.44Å; D142-L146 WeakPolarHBondContact O-CG 3.29Å; D142-L146 PolarHBondContact O-N 3.24Å; D142-L146 VanDerWaalsContact O-N 3.1Å; T144-L146 VanDerWaalsContact C-N 3.34Å; T144-L146 PolarHBondContact O-N 2.89Å; L146-I765 HydrophobicContact CB-CD1 4.31Å; L146-I765 HydrophobicContact CB-CG1 4.43Å; L146-I765 HydrophobicContact CD2-CG1 3.99Å; L146-R768 VanDerWaalsContact O-CD 3.25Å; L146-R768 WeakPolarHBondContact O-CD 3.36Å; L146-R768 PolarHBondContact O-NH1 3.36Å; L146-A769 HydrophobicContact CD2-CB 3.84Å |
| 147 | M | 53.9 | Low | 64.3 | Low | 74 Ų | 74 | 50.9 Ų | 50.9 | 37% | 0.365 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -108.7 | -0.2 | -176 | -65.7 | -174.2 | 174.1 | 0 | 0 | 114.2 | K143 T144 I145 L760 | K143-M147 WeakPolarHBondContact O-CG 3.35Å; K143-M147 PolarHBondContact O-N 3.48Å; T144-M147 CarbonylContact O-C 3.57Å; T144-M147 PolarHBondContact O-N 2.73Å; T144-M147 VanDerWaalsContact O-N 3.11Å; I145-M147 PolarHBondContact O-N 3.2Å; M147-L760 WeakPolarHBondContact O-CD2 3.39Å |
| 148 | T | 55.4 | Low | 66.6 | Low | 47 Ų | 47 | 44.2 Ų | 44.2 | 29% | 0.288 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -71.5 | 133.4 | 175.9 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | T144 I145 D150 R768 | T144-T148 WeakPolarHBondContact O-CG2 3.48Å; T144-T148 PolarHBondContact O-N 3.13Å; I145-T148 PolarHBondContact O-OG1 2.95Å; T148-D150 VanDerWaalsContact C-N 3.31Å; T148-D150 PolarHBondContact O-N 3.33Å; T148-D150 PolarHBondContact OG1-OD1 3.14Å; T148-R768 PolarHBondContact O-NH1 3.45Å |
| 149 | P | 54.6 | Low | 68.6 | Low | 87 Ų | 87 | 41.8 Ų | 41.8 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | trans | -69 | 93.7 | 171.4 | 27.6 | -31.5 | 0 | 0 | 0 | 108.5 | L760 | P149-L760 HydrophobicContact CB-CD1 4.4Å; P149-L760 HydrophobicContact CB-CD2 4.49Å | ||
| 150 | D | 63 | Low | 70.7 | Confident | 38 Ų | 38 | 41.8 Ų | 41.8 | 20% | 0.203 | 23% | 0.225 | C | C | . | . | trans | -89.1 | 146.6 | 171.6 | -83.1 | 33.6 | 0 | 0 | 0 | 109.4 | R35 S66 T148 L152 | R35-D150 IonicContact NH1-OD2 3.4Å; R35-D150 PolarHBondContact NH1-OD2 3.42Å; S66-D150 WeakPolarHBondContact CB-O 3.31Å; S66-D150 PolarHBondContact OG-O 3.37Å; T148-D150 VanDerWaalsContact C-N 3.31Å; T148-D150 PolarHBondContact O-N 3.33Å; T148-D150 PolarHBondContact OG1-OD1 3.14Å; D150-L152 HydrophobicContact CB-CB 4.3Å; D150-L152 HydrophobicContact CB-CD1 3.75Å; D150-L152 HydrophobicContact CB-CG 3.85Å; D150-L152 PolarHBondContact O-N 3.26Å | ||
| 151 | N | 77.2 | Confident | 72.9 | Confident | 114 Ų | 114 | 40.8 Ų | 40.8 | 61% | 0.61 | 22% | 0.217 | S | C | * | . | trans | -70.8 | 38.4 | 170.4 | -64.4 | -6.6 | 0 | 0 | 0 | 112 | R35 F36 | R35-N151 CarbonylContact C-O 3.53Å; R35-N151 VanDerWaalsContact CA-O 3.3Å; R35-N151 WeakPolarHBondContact CA-O 3.32Å; F36-N151 HydrophobicContact CB-CB 4.49Å; F36-N151 PolarHBondContact N-O 3.25Å | ||
| 152 | L | 83.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.7 | -179.6 | -74.4 | 167.3 | 0 | 0 | 0 | 110.2 | R35 S66 D150 F154 F771 | R35-L152 HydrophobicContact CG-CD2 3.77Å; S66-L152 WeakPolarHBondContact CB-O 3.47Å; S66-L152 PolarHBondContact N-O 3.16Å; D150-L152 HydrophobicContact CB-CB 4.3Å; D150-L152 HydrophobicContact CB-CD1 3.75Å; D150-L152 HydrophobicContact CB-CG 3.85Å; D150-L152 PolarHBondContact O-N 3.26Å; L152-F154 HydrophobicContact CB-CE2 4.3Å; L152-F154 HydrophobicContact CB-CZ 4.24Å; L152-F154 HydrophobicContact CD1-CZ 4.32Å; L152-F771 HydrophobicContact CD1-CD1 4.04Å; L152-F771 HydrophobicContact CD1-CE1 4.07Å; L152-F771 HydrophobicContact CD2-CD1 4.43Å; L152-F771 HydrophobicContact CD2-CE1 3.86Å; L152-F771 HydrophobicContact CD2-CE2 4.43Å; L152-F771 HydrophobicContact CD2-CZ 3.85Å |
| 153 | V | 87.6 | Confident | 76.4 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.6 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | A33 Y34 F36 V63 E64 L71 | A33-V153 WeakPolarHBondContact CA-O 3.34Å; Y34-V153 HydrophobicContact CD1-CB 4.18Å; Y34-V153 HydrophobicContact CD1-CG1 4.47Å; Y34-V153 HydrophobicContact CD2-CB 4.29Å; Y34-V153 HydrophobicContact CE1-CB 3.68Å; Y34-V153 HydrophobicContact CE1-CG1 3.59Å; Y34-V153 HydrophobicContact CE2-CB 3.8Å; Y34-V153 HydrophobicContact CE2-CG1 4.29Å; Y34-V153 HydrophobicContact CE2-CG2 3.95Å; Y34-V153 HydrophobicContact CG-CB 4.47Å; Y34-V153 VanDerWaalsContact CZ-CB 3.48Å; Y34-V153 VanDerWaalsContact CZ-CG1 3.48Å; Y34-V153 PolarHBondContact N-O 3.02Å; Y34-V153 VanDerWaalsContact N-O 3.1Å; Y34-V153 PolarHBondContact O-N 3.14Å; Y34-V153 WeakPolarHBondContact OH-CG1 3.38Å; F36-V153 HydrophobicContact CB-CG2 4.08Å; V63-V153 HydrophobicContact CG1-CG1 3.54Å; E64-V153 WeakPolarHBondContact O-CG1 3.39Å; L71-V153 HydrophobicContact CD1-CG1 3.83Å; L71-V153 HydrophobicContact CD1-CG2 4.12Å |
| 154 | F | 90.5 | Very high | 78.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.7 | 179.5 | -62.7 | -71 | 0 | 0 | 0 | 109.9 | V31 A33 E64 L152 N764 C767 R768 F771 | V31-F154 HydrophobicContact CG1-CB 4.3Å; V31-F154 HydrophobicContact CG1-CD1 3.93Å; A33-F154 HydrophobicContact CB-CD1 3.93Å; A33-F154 HydrophobicContact CB-CE1 4Å; E64-F154 PolarHBondContact N-O 3.37Å; E64-F154 PolarHBondContact O-N 3.46Å; L152-F154 HydrophobicContact CB-CE2 4.3Å; L152-F154 HydrophobicContact CB-CZ 4.24Å; L152-F154 HydrophobicContact CD1-CZ 4.32Å; F154-N764 HydrophobicContact CD2-CB 3.95Å; F154-N764 HydrophobicContact CE2-CB 4.2Å; F154-C767 HydrophobicContact CD1-CB 3.8Å; F154-C767 HydrophobicContact CD2-CB 4.14Å; F154-C767 HydrophobicContact CE1-CB 3.88Å; F154-C767 HydrophobicContact CE2-CB 4.21Å; F154-C767 HydrophobicContact CG-CB 3.93Å; F154-C767 HydrophobicContact CZ-CB 4.09Å; F154-R768 HydrophobicContact CZ-CB 4.14Å; F154-F771 HydrophobicContact CE1-CB 4.28Å |
| 155 | V | 92 | Very high | 80.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 108 | 172.2 | -175 | 0 | 0 | 0 | 0 | 107.6 | V31 L32 Y34 L51 I61 E62 V63 L157 F315 | V31-V155 CarbonylContact C-O 3.39Å; V31-V155 WeakPolarHBondContact CA-O 3.37Å; L32-V155 HydrophobicContact CB-CB 4.03Å; L32-V155 HydrophobicContact CB-CG2 4.48Å; L32-V155 HydrophobicContact CG-CB 4.49Å; L32-V155 PolarHBondContact N-O 1.99Å; L32-V155 PolarHBondContact O-N 2.92Å; Y34-V155 HydrophobicContact CD1-CG2 4.34Å; Y34-V155 HydrophobicContact CE1-CG2 3.89Å; L51-V155 HydrophobicContact CD1-CG1 4.49Å; L51-V155 HydrophobicContact CD2-CG1 3.91Å; I61-V155 HydrophobicContact CG2-CG1 3.47Å; I61-V155 VanDerWaalsContact CG2-CG1 3.47Å; E62-V155 CarbonylContact O-C 3.54Å; E62-V155 WeakPolarHBondContact O-CA 3.41Å; V63-V155 HydrophobicContact CG1-CG2 4.31Å; V63-V155 HydrophobicContact CG2-CG1 4.27Å; V63-V155 HydrophobicContact CG2-CG2 4.25Å; V155-L157 HydrophobicContact CG1-CD2 3.93Å; V155-F315 HydrophobicContact CG2-CE1 4.46Å |
| 156 | K | 92.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.5 | 176.6 | -63.2 | 178.7 | -178.1 | 170.8 | 0 | 109.1 | F21 T28 I61 E62 E64 N764 | F21-K156 HydrophobicContact CE2-CB 3.89Å; F21-K156 HydrophobicContact CZ-CB 3.91Å; F21-K156 WeakPolarHBondContact CZ-O 3.44Å; T28-K156 HydrophobicContact CG2-CB 3.76Å; T28-K156 HydrophobicContact CG2-CD 4.39Å; T28-K156 HydrophobicContact CG2-CG 3.93Å; I61-K156 WeakPolarHBondContact CA-O 3.28Å; E62-K156 HydrophobicContact CB-CB 4.34Å; E62-K156 PolarHBondContact N-O 3.2Å; E62-K156 PolarHBondContact O-N 3.05Å; E64-K156 IonicContact OE1-NZ 2.68Å; E64-K156 PolarHBondContact OE1-NZ 3.12Å; E64-K156 IonicContact OE2-NZ 3.57Å; E64-K156 PolarHBondContact OE2-NZ 3.33Å; K156-N764 WeakPolarHBondContact CE-OD1 3.4Å; K156-N764 PolarHBondContact NZ-OD1 3.21Å |
| 157 | L | 93.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.2 | -179.9 | -54.6 | 177.3 | 0 | 0 | 0 | 110.1 | D29 Y30 L32 I59 E60 I61 V155 L248 L252 | D29-L157 PolarHBondContact N-O 3.08Å; Y30-L157 PolarHBondContact N-O 3.15Å; Y30-L157 PolarHBondContact O-N 2.95Å; L32-L157 HydrophobicContact CD1-CD1 4.16Å; L32-L157 HydrophobicContact CD2-CD1 4.27Å; L32-L157 HydrophobicContact CG-CD1 3.97Å; I59-L157 HydrophobicContact CG2-CB 4.25Å; I59-L157 HydrophobicContact CG2-CD2 4.2Å; E60-L157 WeakPolarHBondContact O-CA 3.27Å; I61-L157 HydrophobicContact CB-CD2 4.42Å; I61-L157 HydrophobicContact CD1-CD2 4.33Å; I61-L157 HydrophobicContact CG1-CD2 3.84Å; I61-L157 HydrophobicContact CG2-CD2 4.14Å; V155-L157 HydrophobicContact CG1-CD2 3.93Å; L157-L248 HydrophobicContact CB-CD1 4.32Å; L157-L252 HydrophobicContact CD1-CD1 4.06Å; L157-L252 HydrophobicContact CD1-CD2 3.96Å; L157-L252 HydrophobicContact CD1-CG 4.42Å |
| 158 | H | 92.8 | Very high | 85.5 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.7 | 172.3 | 176.6 | 85.1 | 0 | 0 | 0 | 109 | F21 R27 D29 E60 D236 R244 | F21-H158 HydrophobicContact CD2-CB 4.41Å; F21-H158 HydrophobicContact CE1-CB 4.39Å; F21-H158 HydrophobicContact CE2-CB 3.63Å; F21-H158 HydrophobicContact CZ-CB 3.64Å; R27-H158 PolarHBondContact O-ND1 2.88Å; D29-H158 IonicContact OD2-ND1 3.89Å; E60-H158 HydrophobicContact CB-CB 4.35Å; E60-H158 PolarHBondContact N-O 3.12Å; E60-H158 PolarHBondContact O-N 3.22Å; E60-H158 IonicContact OE2-CD2 2.91Å; H158-D236 IonicContact CE1-OD1 3.75Å; H158-D236 IonicContact CE1-OD2 3.48Å; H158-D236 IonicContact NE2-OD1 2.95Å; H158-R244 PolarHBondContact CE1-NH2 2.86Å; H158-R244 PolarHBondContact ND1-NH2 3.23Å; H158-R244 VanDerWaalsContact ND1-NH2 3.18Å; H158-R244 PolarHBondContact NE2-NH2 3.35Å |
| 159 | A | 91.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | D29 M164 R244 L248 | D29-A159 PolarHBondContact OD2-N 3.03Å; A159-M164 HydrophobicContact CB-CG 3.78Å; A159-M164 HydrophobicContact CB-SD 3.67Å; A159-R244 PolarHBondContact O-NH2 2.97Å; A159-L248 HydrophobicContact CB-CD1 4.43Å; A159-L248 HydrophobicContact CB-CD2 4.09Å; A159-L248 HydrophobicContact CB-CG 4.15Å |
| 160 | S | 91.3 | Very high | 88.7 | Confident | 13 Ų | 13 | 30 Ų | 30 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | trans | -59 | 160.6 | 175.7 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | K58 E162 A163 M164 | K58-S160 WeakPolarHBondContact CB-OG 3.01Å; K58-S160 VanDerWaalsContact O-CB 3.29Å; K58-S160 WeakPolarHBondContact O-CB 3.39Å; K58-S160 PolarHBondContact O-N 3.44Å; K58-S160 PolarHBondContact O-OG 2.83Å; S160-E162 PolarHBondContact O-N 2.87Å; S160-A163 PolarHBondContact O-N 3.48Å; S160-A163 PolarHBondContact OG-N 3.31Å; S160-M164 WeakPolarHBondContact O-CG 3.4Å; S160-M164 PolarHBondContact O-N 2.99Å | ||
| 161 | W | 90 | Very high | 89.8 | Confident | 39 Ų | 39 | 29.3 Ų | 29.3 | 15% | 0.148 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.6 | -43 | 175.6 | 175.6 | -103.8 | 0 | 0 | 0 | 111.9 | M164 T165 I231 K235 F238 F239 | W161-M164 PolarHBondContact O-N 3.23Å; W161-T165 HydrophobicContact CD2-CG2 3.93Å; W161-T165 VanDerWaalsContact CE2-CG2 3.44Å; W161-T165 HydrophobicContact CE3-CG2 4.49Å; W161-T165 HydrophobicContact CG-CG2 4.37Å; W161-T165 HydrophobicContact CH2-CG2 4.29Å; W161-T165 HydrophobicContact CZ2-CG2 3.65Å; W161-T165 WeakPolarHBondContact O-CG2 3.43Å; W161-T165 PolarHBondContact O-N 3.43Å; W161-T165 PolarHBondContact O-OG1 2.87Å; W161-T165 VanDerWaalsContact O-OG1 3.1Å; W161-I231 HydrophobicContact CH2-CD1 4.38Å; W161-I231 HydrophobicContact CH2-CG2 3.89Å; W161-I231 HydrophobicContact CZ2-CD1 4.18Å; W161-I231 HydrophobicContact CZ2-CG2 4.31Å; W161-K235 HydrophobicContact CD2-CB 4.07Å; W161-K235 HydrophobicContact CD2-CD 3.87Å; W161-K235 HydrophobicContact CD2-CG 4.35Å; W161-K235 HydrophobicContact CE3-CB 3.62Å; W161-K235 HydrophobicContact CE3-CD 4.3Å; W161-K235 HydrophobicContact CE3-CG 4.3Å; W161-K235 HydrophobicContact CG-CD 4.04Å; W161-K235 HydrophobicContact CH2-CB 4.47Å; W161-K235 HydrophobicContact CZ3-CB 3.83Å; W161-K235 HydrophobicContact CZ3-CG 4.4Å; W161-K235 VanDerWaalsContact CZ3-O 3.29Å; W161-K235 WeakPolarHBondContact CZ3-O 3.5Å; W161-F238 HydrophobicContact CH2-CB 4.33Å; W161-F238 AromaticContact CH2-CD1 3.83Å; W161-F238 HydrophobicContact CH2-CD1 3.83Å; W161-F238 HydrophobicContact CH2-CE1 4.41Å; W161-F238 HydrophobicContact CH2-CG 4.24Å; W161-F238 HydrophobicContact CZ3-CB 4.03Å; W161-F238 HydrophobicContact CZ3-CD1 4.01Å; W161-F238 HydrophobicContact CZ3-CG 4.35Å; W161-F239 HydrophobicContact CE3-CD2 4.39Å; W161-F239 AromaticContact CE3-CE2 3.98Å; W161-F239 HydrophobicContact CE3-CE2 3.98Å; W161-F239 HydrophobicContact CH2-CE2 4.19Å; W161-F239 HydrophobicContact CZ3-CD2 4.02Å; W161-F239 AromaticContact CZ3-CE2 3.59Å; W161-F239 HydrophobicContact CZ3-CE2 3.59Å |
| 162 | E | 89.9 | Confident | 90.3 | Very high | 108 Ų | 108 | 28.3 Ų | 28.3 | 51% | 0.505 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -64.6 | -45 | -178.2 | -60.9 | -177.3 | 170.8 | 0 | 0 | 112 | K58 S160 M164 T165 Y166 | K58-E162 HydrophobicContact CD-CB 4.02Å; K58-E162 WeakPolarHBondContact CD-OE2 3.34Å; K58-E162 WeakPolarHBondContact CE-OE2 3.45Å; K58-E162 IonicContact NZ-OE2 2.91Å; K58-E162 PolarHBondContact NZ-OE2 3.29Å; S160-E162 PolarHBondContact O-N 2.87Å; E162-M164 VanDerWaalsContact C-N 3.34Å; E162-T165 WeakPolarHBondContact CA-OG1 3.33Å; E162-T165 PolarHBondContact O-N 2.99Å; E162-T165 PolarHBondContact O-OG1 2.9Å; E162-Y166 WeakPolarHBondContact O-CB 3.35Å; E162-Y166 PolarHBondContact O-N 2.84Å |
| 163 | A | 90.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K58 S160 T165 Y166 Y167 | K58-A163 HydrophobicContact CB-CB 4.39Å; S160-A163 PolarHBondContact O-N 3.48Å; S160-A163 PolarHBondContact OG-N 3.31Å; A163-T165 PolarHBondContact O-N 2.93Å; A163-Y166 PolarHBondContact O-N 3.48Å; A163-Y167 VanDerWaalsContact O-CD2 3.24Å; A163-Y167 WeakPolarHBondContact O-CD2 3.35Å; A163-Y167 PolarHBondContact O-N 2.95Å |
| 164 | M | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 179.3 | -74.8 | -58.3 | -55.4 | 0 | 0 | 112.6 | A159 S160 W161 E162 A168 F239 R244 V247 | A159-M164 HydrophobicContact CB-CG 3.78Å; A159-M164 HydrophobicContact CB-SD 3.67Å; S160-M164 WeakPolarHBondContact O-CG 3.4Å; S160-M164 PolarHBondContact O-N 2.99Å; W161-M164 PolarHBondContact O-N 3.23Å; E162-M164 VanDerWaalsContact C-N 3.34Å; M164-A168 WeakPolarHBondContact O-CB 3.47Å; M164-A168 PolarHBondContact O-N 3.24Å; M164-F239 HydrophobicContact CB-CD2 3.82Å; M164-F239 HydrophobicContact CB-CE2 3.6Å; M164-F239 HydrophobicContact CB-CZ 4.15Å; M164-F239 HydrophobicContact CE-CB 3.71Å; M164-F239 HydrophobicContact CE-CD1 3.6Å; M164-F239 HydrophobicContact CE-CD2 3.88Å; M164-F239 HydrophobicContact CE-CE1 4.18Å; M164-F239 HydrophobicContact CE-CE2 4.39Å; M164-F239 HydrophobicContact CE-CG 3.45Å; M164-F239 VanDerWaalsContact CE-CG 3.45Å; M164-F239 HydrophobicContact CG-CD2 4.3Å; M164-R244 HydrophobicContact CE-CB 4.39Å; M164-R244 HydrophobicContact CE-CG 3.77Å; M164-R244 HydrophobicContact SD-CB 4.39Å; M164-R244 HydrophobicContact SD-CG 4.1Å; M164-V247 HydrophobicContact CE-CB 4.46Å; M164-V247 HydrophobicContact CE-CG2 4.01Å; M164-V247 HydrophobicContact SD-CB 3.98Å; M164-V247 HydrophobicContact SD-CG1 3.97Å; M164-V247 HydrophobicContact SD-CG2 4.12Å |
| 165 | T | 92.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 178.2 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | W161 E162 A163 A168 E169 F221 | W161-T165 HydrophobicContact CD2-CG2 3.93Å; W161-T165 VanDerWaalsContact CE2-CG2 3.44Å; W161-T165 HydrophobicContact CE3-CG2 4.49Å; W161-T165 HydrophobicContact CG-CG2 4.37Å; W161-T165 HydrophobicContact CH2-CG2 4.29Å; W161-T165 HydrophobicContact CZ2-CG2 3.65Å; W161-T165 WeakPolarHBondContact O-CG2 3.43Å; W161-T165 PolarHBondContact O-N 3.43Å; W161-T165 PolarHBondContact O-OG1 2.87Å; W161-T165 VanDerWaalsContact O-OG1 3.1Å; E162-T165 WeakPolarHBondContact CA-OG1 3.33Å; E162-T165 PolarHBondContact O-N 2.99Å; E162-T165 PolarHBondContact O-OG1 2.9Å; A163-T165 PolarHBondContact O-N 2.93Å; T165-A168 PolarHBondContact O-N 2.81Å; T165-E169 PolarHBondContact O-N 2.86Å; T165-E169 VanDerWaalsContact O-N 3.11Å; T165-F221 HydrophobicContact CG2-CE1 3.82Å; T165-F221 HydrophobicContact CG2-CZ 3.64Å |
| 166 | Y | 92.3 | Very high | 90 | Very high | 125 Ų | 125 | 31.1 Ų | 31.1 | 49% | 0.49 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.2 | -51.7 | 176.3 | 176 | -95.8 | 0 | 0 | 0 | 111.2 | E162 A163 A168 E169 Y170 M223 | E162-Y166 WeakPolarHBondContact O-CB 3.35Å; E162-Y166 PolarHBondContact O-N 2.84Å; A163-Y166 PolarHBondContact O-N 3.48Å; Y166-A168 VanDerWaalsContact C-N 3.29Å; Y166-A168 PolarHBondContact O-N 2.75Å; Y166-E169 PolarHBondContact O-N 3.09Å; Y166-Y170 WeakPolarHBondContact O-CB 3.04Å; Y166-Y170 PolarHBondContact O-N 2.87Å; Y166-M223 HydrophobicContact CD2-CE 4.05Å |
| 167 | Y | 91.3 | Very high | 89.6 | Confident | 25 Ų | 25 | 31.1 Ų | 31.1 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.3 | -26 | 178.6 | -76.5 | -73 | 0 | 0 | 0 | 112.8 | A163 Y170 L171 V247 H250 I251 | A163-Y167 VanDerWaalsContact O-CD2 3.24Å; A163-Y167 WeakPolarHBondContact O-CD2 3.35Å; A163-Y167 PolarHBondContact O-N 2.95Å; Y167-Y170 HydrophobicContact CD1-CD1 4.27Å; Y167-L171 WeakPolarHBondContact O-CB 3.4Å; Y167-L171 VanDerWaalsContact O-CG 3.27Å; Y167-L171 WeakPolarHBondContact O-CG 3.49Å; Y167-L171 PolarHBondContact O-N 3.13Å; Y167-V247 HydrophobicContact CD2-CG1 3.71Å; Y167-V247 HydrophobicContact CG-CG1 3.74Å; Y167-H250 AromaticContact CE1-CD2 3.83Å; Y167-I251 HydrophobicContact CD2-CD1 3.78Å; Y167-I251 HydrophobicContact CD2-CG1 4.16Å; Y167-I251 HydrophobicContact CE1-CG1 4.13Å; Y167-I251 HydrophobicContact CE2-CD1 3.35Å; Y167-I251 HydrophobicContact CE2-CG1 3.5Å; Y167-I251 VanDerWaalsContact CZ-CG1 3.48Å |
| 168 | A | 91 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.4 | -39.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M164 T165 Y166 K172 M173 F221 F239 | M164-A168 WeakPolarHBondContact O-CB 3.47Å; M164-A168 PolarHBondContact O-N 3.24Å; T165-A168 PolarHBondContact O-N 2.81Å; Y166-A168 VanDerWaalsContact C-N 3.29Å; Y166-A168 PolarHBondContact O-N 2.75Å; A168-K172 PolarHBondContact O-N 3.22Å; A168-K172 VanDerWaalsContact O-N 3.16Å; A168-M173 HydrophobicContact CB-CB 4.22Å; A168-M173 HydrophobicContact CB-CG 4.26Å; A168-M173 HydrophobicContact CB-SD 4.03Å; A168-M173 PolarHBondContact O-N 3.02Å; A168-F221 HydrophobicContact CB-CB 4.25Å; A168-F221 HydrophobicContact CB-CD1 3.67Å; A168-F221 HydrophobicContact CB-CE1 4.32Å; A168-F221 HydrophobicContact CB-CG 4.09Å; A168-F239 HydrophobicContact CB-CE1 3.53Å; A168-F239 HydrophobicContact CB-CZ 3.74Å |
| 169 | E | 90.7 | Very high | 87.7 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 28% | 0.276 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.7 | -45.4 | 172.5 | -178 | 159 | -139.9 | 0 | 0 | 110.9 | T165 Y166 L171 K172 F221 S222 M223 | T165-E169 PolarHBondContact O-N 2.86Å; T165-E169 VanDerWaalsContact O-N 3.11Å; Y166-E169 PolarHBondContact O-N 3.09Å; E169-L171 PolarHBondContact O-N 3.03Å; E169-K172 PolarHBondContact O-N 2.97Å; E169-K172 VanDerWaalsContact O-N 3.08Å; E169-F221 HydrophobicContact CB-CD1 4.49Å; E169-S222 WeakPolarHBondContact OE1-CA 3.36Å; E169-S222 WeakPolarHBondContact OE1-CB 3.48Å; E169-S222 PolarHBondContact OE1-OG 3.37Å; E169-M223 HydrophobicContact CB-CG 4.34Å; E169-M223 PolarHBondContact OE1-N 3.15Å; E169-M223 WeakPolarHBondContact OE2-CB 3.43Å; E169-M223 WeakPolarHBondContact OE2-CE 3.38Å; E169-M223 WeakPolarHBondContact OE2-CG 3.47Å; E169-M223 PolarHBondContact OE2-N 2.87Å; E169-M223 VanDerWaalsContact OE2-N 3.08Å |
| 170 | Y | 86.7 | Confident | 85.9 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 35% | 0.349 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.6 | -44 | 177.2 | 177.4 | -103.7 | 0 | 0 | 0 | 113 | Y166 Y167 K172 H250 R254 M507 | Y166-Y170 WeakPolarHBondContact O-CB 3.04Å; Y166-Y170 PolarHBondContact O-N 2.87Å; Y167-Y170 HydrophobicContact CD1-CD1 4.27Å; Y170-K172 VanDerWaalsContact C-N 3.26Å; Y170-K172 PolarHBondContact O-N 3.13Å; Y170-H250 AromaticContact CE1-CE1 3.87Å; Y170-H250 AromaticContact CE1-NE2 3.64Å; Y170-R254 PolarHBondContact OH-NH1 3.26Å; Y170-R254 VanDerWaalsContact OH-NH1 3.08Å; Y170-M507 HydrophobicContact CD1-CE 4.04Å; Y170-M507 HydrophobicContact CE1-CE 3.63Å; Y170-M507 HydrophobicContact CE2-CE 4.16Å; Y170-M507 HydrophobicContact CG-CE 4.47Å; Y170-M507 VanDerWaalsContact O-CE 3.29Å; Y170-M507 WeakPolarHBondContact O-CE 3.37Å |
| 171 | L | 85.7 | Confident | 83.8 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 12% | 0.12 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6.8 | 178.2 | -62.6 | 173.8 | 0 | 0 | 0 | 113.1 | Y167 E169 M173 V247 M507 | Y167-L171 WeakPolarHBondContact O-CB 3.4Å; Y167-L171 VanDerWaalsContact O-CG 3.27Å; Y167-L171 WeakPolarHBondContact O-CG 3.49Å; Y167-L171 PolarHBondContact O-N 3.13Å; E169-L171 PolarHBondContact O-N 3.03Å; L171-M173 HydrophobicContact CB-CE 4.2Å; L171-M173 HydrophobicContact CB-CG 4.17Å; L171-M173 HydrophobicContact CD1-CE 3.63Å; L171-M173 PolarHBondContact O-N 3.35Å; L171-M173 VanDerWaalsContact O-N 3.17Å; L171-V247 HydrophobicContact CD1-CG2 4.12Å; L171-M507 HydrophobicContact CD2-CE 4.21Å; L171-M507 HydrophobicContact CD2-CG 4.48Å |
| 172 | K | 87.1 | Confident | 81.7 | Confident | 93 Ų | 93 | 58.1 Ų | 58.1 | 40% | 0.404 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 45.2 | -178.1 | -64.9 | -176.8 | 170.3 | -176.8 | 0 | 112.9 | A168 E169 Y170 R174 E505 | A168-K172 PolarHBondContact O-N 3.22Å; A168-K172 VanDerWaalsContact O-N 3.16Å; E169-K172 PolarHBondContact O-N 2.97Å; E169-K172 VanDerWaalsContact O-N 3.08Å; Y170-K172 VanDerWaalsContact C-N 3.26Å; Y170-K172 PolarHBondContact O-N 3.13Å; K172-R174 PolarHBondContact O-N 3.46Å; K172-E505 IonicContact NZ-OE1 3.62Å; K172-E505 PolarHBondContact NZ-OE1 2.89Å; K172-E505 IonicContact NZ-OE2 2.76Å; K172-E505 PolarHBondContact NZ-OE2 3.31Å |
| 173 | M | 86.8 | Confident | 79.5 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | trans | -64.2 | 124.6 | -178.2 | -66.3 | -167.9 | -170.6 | 0 | 0 | 110.6 | A168 L171 K175 F221 F239 E243 V247 | A168-M173 HydrophobicContact CB-CB 4.22Å; A168-M173 HydrophobicContact CB-CG 4.26Å; A168-M173 HydrophobicContact CB-SD 4.03Å; A168-M173 PolarHBondContact O-N 3.02Å; L171-M173 HydrophobicContact CB-CE 4.2Å; L171-M173 HydrophobicContact CB-CG 4.17Å; L171-M173 HydrophobicContact CD1-CE 3.63Å; L171-M173 PolarHBondContact O-N 3.35Å; L171-M173 VanDerWaalsContact O-N 3.17Å; M173-K175 PolarHBondContact O-N 2.93Å; M173-F221 WeakPolarHBondContact O-CB 3.49Å; M173-F221 PolarHBondContact O-N 2.79Å; M173-F239 HydrophobicContact SD-CD1 4.29Å; M173-F239 HydrophobicContact SD-CE1 4.23Å; M173-E243 HydrophobicContact CE-CB 4.48Å; M173-E243 HydrophobicContact SD-CB 4.27Å; M173-E243 HydrophobicContact SD-CG 4.31Å; M173-V247 HydrophobicContact CE-CG2 3.43Å; M173-V247 VanDerWaalsContact CE-CG2 3.43Å | ||
| 174 | R | 86.9 | Confident | 77.3 | Confident | 50 Ų | 50 | 65 Ų | 65 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 121.8 | 177.3 | -64 | -171.2 | 72.2 | 99.2 | 2.2 | 110.7 | K172 T218 W219 P220 N500 S503 | K172-R174 PolarHBondContact O-N 3.46Å; R174-T218 PolarHBondContact NE-OG1 2.96Å; R174-T218 PolarHBondContact NH2-O 3.44Å; R174-W219 CarbonylContact C-O 3.59Å; R174-W219 VanDerWaalsContact CA-O 3.28Å; R174-W219 WeakPolarHBondContact CA-O 3.45Å; R174-P220 HydrophobicContact CG-CG 4.44Å; R174-N500 HydrophobicContact CB-CB 4.21Å; R174-S503 PolarHBondContact NH1-OG 3.48Å |
| 175 | K | 87.3 | Confident | 75.2 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 153.8 | -175.8 | -70.3 | -61.5 | -174.2 | -176.6 | 0 | 112.2 | M173 T218 W219 F221 F229 F238 E243 | M173-K175 PolarHBondContact O-N 2.93Å; K175-T218 CarbonylContact O-C 3.59Å; K175-T218 WeakPolarHBondContact O-CA 3.32Å; K175-T218 WeakPolarHBondContact O-CB 3.49Å; K175-W219 PolarHBondContact N-O 3.13Å; K175-W219 PolarHBondContact O-N 2.79Å; K175-F221 HydrophobicContact CB-CD2 4.39Å; K175-F221 HydrophobicContact CG-CB 4.17Å; K175-F221 HydrophobicContact CG-CD2 4.21Å; K175-F229 HydrophobicContact CB-CD1 3.83Å; K175-F229 HydrophobicContact CB-CE1 4.17Å; K175-F238 HydrophobicContact CB-CE1 4.1Å; K175-F238 HydrophobicContact CB-CE2 4.16Å; K175-F238 HydrophobicContact CB-CZ 3.46Å; K175-F238 VanDerWaalsContact CB-CZ 3.46Å; K175-F238 HydrophobicContact CD-CD1 4.35Å; K175-F238 HydrophobicContact CD-CE1 3.8Å; K175-F238 HydrophobicContact CD-CE2 4.38Å; K175-F238 HydrophobicContact CD-CZ 3.84Å; K175-F238 HydrophobicContact CG-CE1 3.64Å; K175-F238 HydrophobicContact CG-CE2 4.45Å; K175-F238 HydrophobicContact CG-CZ 3.55Å; K175-F238 PolarHBondContact NZ-O 3.37Å; K175-E243 IonicContact NZ-OE1 3.86Å; K175-E243 PolarHBondContact NZ-OE1 2.79Å; K175-E243 IonicContact NZ-OE2 3.47Å; K175-E243 PolarHBondContact NZ-OE2 2.84Å |
| 176 | P | 85.4 | Confident | 73.2 | Confident | 8 Ų | 8 | 76.8 Ų | 76.8 | 5% | 0.052 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 134.2 | -175.8 | 28.3 | -36 | 0 | 0 | 0 | 111.3 | C7 V8 C216 F229 D230 F238 | C7-P176 HydrophobicContact CB-CB 4Å; V8-P176 HydrophobicContact CG2-CB 3.88Å; V8-P176 HydrophobicContact CG2-CG 3.66Å; P176-C216 HydrophobicContact CB-CB 4.42Å; P176-F229 WeakPolarHBondContact O-CA 3.45Å; P176-D230 HydrophobicContact CB-CB 4.5Å; P176-D230 HydrophobicContact CG-CB 4.48Å; P176-D230 PolarHBondContact O-N 3.45Å; P176-F238 HydrophobicContact CG-CE2 4.27Å |
| 177 | L | 84.1 | Confident | 70.9 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 149.8 | 171.9 | -68.1 | 171.6 | 0 | 0 | 0 | 110.7 | Q179 Y217 W219 L228 F229 T976 I979 | L177-Q179 PolarHBondContact O-N 2.91Å; L177-Y217 PolarHBondContact N-O 3.37Å; L177-W219 HydrophobicContact CD1-CB 4.15Å; L177-W219 HydrophobicContact CD2-CB 3.77Å; L177-W219 HydrophobicContact CG-CB 4.03Å; L177-L228 CarbonylContact C-O 3.6Å; L177-L228 WeakPolarHBondContact CA-O 3.48Å; L177-L228 HydrophobicContact CD2-CB 4.04Å; L177-L228 WeakPolarHBondContact CD2-O 3.48Å; L177-F229 HydrophobicContact CD2-CD1 4.26Å; L177-F229 HydrophobicContact CD2-CE1 4.16Å; L177-T976 HydrophobicContact CD1-CG2 3.62Å; L177-I979 HydrophobicContact CB-CG2 4.43Å; L177-I979 HydrophobicContact CD1-CG2 4.17Å |
| 178 | R | 79.2 | Confident | 68.5 | Low | 150 Ų | 150 | 81.6 Ų | 81.6 | 57% | 0.566 | 41% | 0.407 | S | S | * | . | trans | -66.4 | 113.5 | 176.4 | -168 | 175.1 | -179.5 | -179.2 | 0.3 | 110.4 | L228 | R178-L228 PolarHBondContact N-O 2.95Š| ||
| 179 | Q | 67.3 | Low | 66 | Low | 65 Ų | 65 | 84.5 Ų | 84.5 | 30% | 0.304 | 43% | 0.426 | S | S | . | . | trans | -109.2 | 62.5 | -177.5 | -68.7 | 174.9 | 25.8 | 0 | 0 | 111.5 | L177 Y217 | L177-Q179 PolarHBondContact O-N 2.91Å; Q179-Y217 VanDerWaalsContact NE2-N 3.12Å | ||
| 180 | L | 54.5 | Low | 63.3 | Low | 135 Ų | 135 | 87.4 Ų | 87.4 | 71% | 0.707 | 45% | 0.448 | S | S | * | . | trans | -142.4 | 103.3 | 178 | -77.9 | 136.8 | 0 | 0 | 0 | 106.4 | ||||
| 181 | A | 47.9 | Very low | 61.1 | Low | 88 Ų | 88 | 86.5 Ų | 86.5 | 73% | 0.727 | 45% | 0.453 | S | S | * | . | S | Bend | -148.2 | 18.1 | 58.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||
| 182 | Y | 44.9 | Very low | 58.8 | Low | 186 Ų | 186 | 94.8 Ų | 94.8 | 73% | 0.729 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -109.3 | 44.7 | -166.7 | -64 | -78.8 | 0 | 0 | 0 | 116.1 | W184 | Y182-W184 VanDerWaalsContact O-CG 3.31Å; Y182-W184 PolarHBondContact O-N 3.36Å; Y182-W184 PolarHBondContact O-NE1 3.05Å; Y182-W184 VanDerWaalsContact O-NE1 3.08Å |
| 183 | G | 43.2 | Very low | 56.3 | Low | 81 Ų | 81 | 96.4 Ų | 96.4 | 84% | 0.835 | 51% | 0.506 | S | S | * | . | trans | 61.7 | -1.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | K185 | G183-K185 PolarHBondContact O-N 2.97Š| ||
| 184 | W | 46.2 | Very low | 54.2 | Low | 175 Ų | 175 | 99.8 Ų | 99.8 | 66% | 0.663 | 53% | 0.529 | S | S | * | . | trans | -79.6 | 78.3 | -177.7 | -52.6 | 104.5 | 0 | 0 | 0 | 111.6 | Y182 | Y182-W184 VanDerWaalsContact O-CG 3.31Å; Y182-W184 PolarHBondContact O-N 3.36Å; Y182-W184 PolarHBondContact O-NE1 3.05Å; Y182-W184 VanDerWaalsContact O-NE1 3.08Å | ||
| 185 | K | 48 | Very low | 52.1 | Low | 189 Ų | 189 | 103.9 Ų | 103.9 | 82% | 0.822 | 56% | 0.56 | S | S | * | * | trans | -79.4 | 132.3 | 161.4 | -76.3 | -175.9 | 177.3 | 178.2 | 0 | 108.9 | G183 V187 | G183-K185 PolarHBondContact O-N 2.97Å; K185-V187 PolarHBondContact O-N 2.87Å | ||
| 186 | L | 50.8 | Low | 49.9 | Very low | 66 Ų | 66 | 111.1 Ų | 111.1 | 35% | 0.346 | 59% | 0.592 | S | S | . | * | trans | -58.6 | 103.8 | 170.5 | -161.8 | 88.1 | 0 | 0 | 0 | 108.1 | N188 T215 Y217 | L186-N188 PolarHBondContact O-N 2.78Å; L186-T215 VanDerWaalsContact CD2-OG1 3.27Å; L186-T215 WeakPolarHBondContact CD2-OG1 3.12Å; L186-Y217 HydrophobicContact CD1-CE1 3.84Å; L186-Y217 HydrophobicContact CD1-CE2 4.38Å; L186-Y217 WeakPolarHBondContact CD1-OH 3.12Å | ||
| 187 | V | 43.3 | Very low | 48 | Very low | 129 Ų | 129 | 114.2 Ų | 114.2 | 78% | 0.782 | 60% | 0.604 | S | S | * | * | trans | -64 | 104.9 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | K185 P189 | K185-V187 PolarHBondContact O-N 2.87Å; V187-P189 VanDerWaalsContact O-CD 3.22Å; V187-P189 WeakPolarHBondContact O-CD 3.05Å; V187-P189 VanDerWaalsContact O-N 3.08Å | ||
| 188 | N | 42.5 | Very low | 45.8 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 65% | 0.652 | 63% | 0.629 | S | S | * | * | trans | -58.1 | 115.4 | 171.3 | -88.2 | -43.3 | 0 | 0 | 0 | 107.4 | L186 T190 | L186-N188 PolarHBondContact O-N 2.78Å; N188-T190 PolarHBondContact O-N 3.47Å | ||
| 189 | P | 38.2 | Very low | 44.1 | Very low | 60 Ų | 60 | 119.5 Ų | 119.5 | 39% | 0.39 | 64% | 0.636 | S | S | . | * | trans | -63.8 | 119.6 | -179.2 | 23.2 | -30.1 | 0 | 0 | 0 | 108 | V187 | V187-P189 VanDerWaalsContact O-CD 3.22Å; V187-P189 WeakPolarHBondContact O-CD 3.05Å; V187-P189 VanDerWaalsContact O-N 3.08Å | ||
| 190 | T | 33.7 | Very low | 43.3 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | trans | -50.7 | 129.2 | 170.4 | 45.6 | 0 | 0 | 0 | 0 | 108 | N188 K192 | N188-T190 PolarHBondContact O-N 3.47Å; T190-K192 PolarHBondContact O-N 2.97Å | ||
| 191 | P | 39.7 | Very low | 42.8 | Very low | 70 Ų | 70 | 120.7 Ų | 120.7 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | trans | -66.5 | 106.2 | 177.3 | 22.7 | -27.7 | 0 | 0 | 0 | 108.3 | T193 | P191-T193 PolarHBondContact O-N 3.31Å; P191-T193 VanDerWaalsContact O-N 3.08Å | ||
| 192 | K | 38.8 | Very low | 42.5 | Very low | 197 Ų | 197 | 121.3 Ų | 121.3 | 86% | 0.857 | 64% | 0.636 | S | S | * | * | trans | -50.4 | 121.1 | 160.3 | -70.4 | -169.4 | 177.9 | -171.7 | 0 | 107.4 | T190 S194 | T190-K192 PolarHBondContact O-N 2.97Å; K192-S194 PolarHBondContact O-N 3.06Å | ||
| 193 | T | 34.6 | Very low | 42.8 | Very low | 127 Ų | 127 | 115.2 Ų | 115.2 | 78% | 0.779 | 62% | 0.616 | S | S | * | * | trans | -67.5 | 121.1 | 175.6 | 35.8 | 0 | 0 | 0 | 0 | 107.5 | P191 | P191-T193 PolarHBondContact O-N 3.31Å; P191-T193 VanDerWaalsContact O-N 3.08Å | ||
| 194 | S | 42.3 | Very low | 43.3 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | trans | -109.7 | 145.4 | 157.5 | 82.5 | 0 | 0 | 0 | 0 | 106.7 | K192 F196 K197 | K192-S194 PolarHBondContact O-N 3.06Å; S194-F196 PolarHBondContact O-N 3.2Å; S194-K197 WeakPolarHBondContact O-CB 3.47Å; S194-K197 PolarHBondContact O-N 3.32Å | ||
| 195 | V | 42.1 | Very low | 43.7 | Very low | 137 Ų | 137 | 111.1 Ų | 111.1 | 83% | 0.83 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -28.2 | -177.3 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | K197 | V195-K197 PolarHBondContact O-N 2.82Š|
| 196 | F | 40.3 | Very low | 44.1 | Very low | 156 Ų | 156 | 105.9 Ų | 105.9 | 68% | 0.684 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.5 | -16.7 | 176.4 | -142.9 | -96.2 | 0 | 0 | 0 | 114.4 | S194 L200 | S194-F196 PolarHBondContact O-N 3.2Å; F196-L200 HydrophobicContact CD1-CD1 3.94Å; F196-L200 HydrophobicContact CE1-CD1 4.14Å |
| 197 | K | 46.1 | Very low | 44.6 | Very low | 73 Ų | 73 | 109.1 Ų | 109.1 | 32% | 0.317 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -82.1 | -21.5 | -175.2 | -147.8 | 176.7 | -161.2 | 155.1 | 0 | 113.5 | S194 V195 L200 K201 | S194-K197 WeakPolarHBondContact O-CB 3.47Å; S194-K197 PolarHBondContact O-N 3.32Å; V195-K197 PolarHBondContact O-N 2.82Å; K197-L200 CarbonylContact O-C 3.5Å; K197-L200 PolarHBondContact O-N 2.78Å; K197-K201 PolarHBondContact O-N 2.8Å |
| 198 | D | 39.2 | Very low | 45.4 | Very low | 98 Ų | 98 | 109.8 Ų | 109.8 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.8 | -34.7 | 177.9 | -74.9 | -41.1 | 0 | 0 | 0 | 111.8 | L200 K201 | D198-L200 PolarHBondContact O-N 2.9Å; D198-K201 WeakPolarHBondContact O-CB 3.49Å; D198-K201 PolarHBondContact O-N 2.83Å; D198-K201 VanDerWaalsContact O-N 3.11Å; D198-K201 IonicContact OD1-NZ 3.05Å |
| 199 | F | 42.1 | Very low | 46.3 | Very low | 162 Ų | 162 | 107 Ų | 107 | 71% | 0.711 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.7 | -32.2 | 170.2 | -171.1 | -103.2 | 0 | 0 | 0 | 112.3 | ||
| 200 | L | 51.9 | Low | 47.7 | Very low | 78 Ų | 78 | 105 Ų | 105 | 41% | 0.408 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.7 | 176.1 | -89.9 | 125.2 | 0 | 0 | 0 | 114.5 | F196 K197 D198 C202 L203 R204 | F196-L200 HydrophobicContact CD1-CD1 3.94Å; F196-L200 HydrophobicContact CE1-CD1 4.14Å; K197-L200 CarbonylContact O-C 3.5Å; K197-L200 PolarHBondContact O-N 2.78Å; D198-L200 PolarHBondContact O-N 2.9Å; L200-C202 PolarHBondContact O-N 3.01Å; L200-L203 HydrophobicContact CD2-CB 4.43Å; L200-L203 HydrophobicContact CD2-CD1 3.66Å; L200-L203 HydrophobicContact CG-CD1 4.01Å; L200-L203 WeakPolarHBondContact O-CB 3.26Å; L200-L203 PolarHBondContact O-N 3.49Å; L200-L203 VanDerWaalsContact O-N 3.14Å; L200-R204 PolarHBondContact O-N 3.37Å |
| 201 | K | 42.3 | Very low | 49.3 | Very low | 147 Ų | 147 | 104.9 Ų | 104.9 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -66.6 | -36.7 | -176.6 | -154.2 | 173 | -173.4 | 173.9 | 0 | 112 | K197 D198 L203 R204 | K197-K201 PolarHBondContact O-N 2.8Å; D198-K201 WeakPolarHBondContact O-CB 3.49Å; D198-K201 PolarHBondContact O-N 2.83Å; D198-K201 VanDerWaalsContact O-N 3.11Å; D198-K201 IonicContact OD1-NZ 3.05Å; K201-L203 PolarHBondContact O-N 3.31Å; K201-R204 PolarHBondContact O-N 2.79Å |
| 202 | C | 42.5 | Very low | 50.5 | Low | 102 Ų | 102 | 105.8 Ų | 105.8 | 69% | 0.689 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -63.3 | -25.5 | 173.9 | -74.3 | 0 | 0 | 0 | 0 | 113.9 | L200 K373 | L200-C202 PolarHBondContact O-N 3.01Å; C202-K373 PolarHBondContact O-NZ 3.33Å |
| 203 | L | 51.5 | Low | 51.8 | Low | 58 Ų | 58 | 98.1 Ų | 98.1 | 30% | 0.304 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -83.7 | -19.1 | -179.2 | -65 | 170.9 | 0 | 0 | 0 | 111.9 | L200 K201 F372 C374 | L200-L203 HydrophobicContact CD2-CB 4.43Å; L200-L203 HydrophobicContact CD2-CD1 3.66Å; L200-L203 HydrophobicContact CG-CD1 4.01Å; L200-L203 WeakPolarHBondContact O-CB 3.26Å; L200-L203 PolarHBondContact O-N 3.49Å; L200-L203 VanDerWaalsContact O-N 3.14Å; K201-L203 PolarHBondContact O-N 3.31Å; L203-F372 WeakPolarHBondContact CD2-O 3.28Å; L203-C374 WeakPolarHBondContact O-CB 3.41Å; L203-C374 PolarHBondContact O-N 2.95Å; L203-C374 VanDerWaalsContact O-N 3.14Å; L203-C374 PolarHBondContact O-SG 3.37Å |
| 204 | R | 52.6 | Low | 53.1 | Low | 130 Ų | 130 | 97.1 Ų | 97.1 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -73.3 | 132.6 | -177.9 | -134 | 174.8 | -166.3 | -175.9 | 0.1 | 110.7 | L200 K201 D206 | L200-R204 PolarHBondContact O-N 3.37Å; K201-R204 PolarHBondContact O-N 2.79Å; R204-D206 PolarHBondContact O-N 3.07Å |
| 205 | M | 56.2 | Low | 54.1 | Low | 39 Ų | 39 | 96.7 Ų | 96.7 | 19% | 0.192 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.2 | 166.9 | -73.6 | -143.8 | 68 | 0 | 0 | 109.4 | K207 I210 Y364 C374 P376 | M205-K207 PolarHBondContact O-N 2.84Å; M205-I210 HydrophobicContact CE-CD1 3.35Å; M205-I210 HydrophobicContact CE-CG1 4.02Å; M205-I210 HydrophobicContact SD-CD1 3.7Å; M205-Y364 HydrophobicContact CE-CD1 4.31Å; M205-Y364 HydrophobicContact CE-CG 4.44Å; M205-C374 HydrophobicContact CG-CB 4.17Å; M205-C374 WeakPolarHBondContact CG-O 3.33Å; M205-P376 HydrophobicContact SD-CB 3.98Å; M205-P376 HydrophobicContact SD-CG 4.35Å |
| 206 | D | 54.7 | Low | 55.6 | Low | 80 Ų | 80 | 91.4 Ų | 91.4 | 43% | 0.428 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 121.4 | 176.5 | -172.8 | -2.1 | 0 | 0 | 0 | 109.3 | R204 N208 I209 I210 | R204-D206 PolarHBondContact O-N 3.07Å; D206-N208 PolarHBondContact O-N 2.77Å; D206-N208 WeakPolarHBondContact OD1-CB 3.4Å; D206-N208 PolarHBondContact OD1-N 2.92Å; D206-I209 HydrophobicContact CB-CD1 3.95Å; D206-I209 HydrophobicContact CB-CG1 4.03Å; D206-I209 PolarHBondContact O-N 3.34Å; D206-I209 VanDerWaalsContact O-N 3.14Å; D206-I210 PolarHBondContact O-N 3.2Å |
| 207 | K | 62.5 | Low | 57.4 | Low | 133 Ų | 133 | 84.6 Ų | 84.6 | 58% | 0.578 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -20.2 | -179.5 | -67.1 | -177.7 | 175.7 | -173.9 | 0 | 112.1 | M205 I209 I210 | M205-K207 PolarHBondContact O-N 2.84Å; K207-I209 VanDerWaalsContact C-N 3.28Å; K207-I210 CarbonylContact O-C 3.54Å |
| 208 | N | 59.5 | Low | 59.3 | Low | 143 Ų | 143 | 81.4 Ų | 81.4 | 77% | 0.765 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -26.6 | 177.1 | -61.8 | -20.6 | 0 | 0 | 0 | 111.7 | D206 | D206-N208 PolarHBondContact O-N 2.77Å; D206-N208 WeakPolarHBondContact OD1-CB 3.4Å; D206-N208 PolarHBondContact OD1-N 2.92Å |
| 209 | I | 62.5 | Low | 61.5 | Low | 64 Ų | 64 | 80.4 Ų | 80.4 | 33% | 0.328 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -43.1 | -179.9 | -58.9 | 177.7 | 0 | 0 | 0 | 110.7 | Y12 D206 K207 Y364 | Y12-I209 PolarHBondContact OH-O 3.06Å; D206-I209 HydrophobicContact CB-CD1 3.95Å; D206-I209 HydrophobicContact CB-CG1 4.03Å; D206-I209 PolarHBondContact O-N 3.34Å; D206-I209 VanDerWaalsContact O-N 3.14Å; K207-I209 VanDerWaalsContact C-N 3.28Å; I209-Y364 HydrophobicContact CD1-CE1 4.39Å; I209-Y364 HydrophobicContact CG2-CD1 4.28Å; I209-Y364 HydrophobicContact CG2-CD2 4.47Å; I209-Y364 HydrophobicContact CG2-CE1 3.61Å; I209-Y364 HydrophobicContact CG2-CE2 3.79Å; I209-Y364 WeakPolarHBondContact CG2-OH 3.21Å |
| 210 | I | 67 | Low | 63.8 | Low | 18 Ų | 18 | 74.4 Ų | 74.4 | 9% | 0.092 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -121.4 | 104.9 | -177.5 | -59.5 | -166.6 | 0 | 0 | 0 | 108.5 | M205 D206 K207 L360 P376 Y379 | M205-I210 HydrophobicContact CE-CD1 3.35Å; M205-I210 HydrophobicContact CE-CG1 4.02Å; M205-I210 HydrophobicContact SD-CD1 3.7Å; D206-I210 PolarHBondContact O-N 3.2Å; K207-I210 CarbonylContact O-C 3.54Å; I210-L360 HydrophobicContact CD1-CD1 4.08Å; I210-L360 HydrophobicContact CG1-CD1 4.07Å; I210-P376 HydrophobicContact CD1-CB 4.02Å; I210-Y379 HydrophobicContact CG2-CD2 3.53Å; I210-Y379 HydrophobicContact CG2-CE2 3.07Å |
| 211 | K | 67.8 | Low | 65.6 | Low | 119 Ų | 119 | 70.9 Ų | 70.9 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 134.7 | 175.5 | -67.6 | -177.4 | 179.5 | -179.8 | 0 | 109.6 | T11 Y379 | T11-K211 HydrophobicContact CG2-CD 4.46Å; K211-Y379 WeakPolarHBondContact O-CE2 3.4Å; K211-Y379 PolarHBondContact O-OH 3.48Å |
| 212 | P | 64.3 | Low | 67.9 | Low | 89 Ų | 89 | 65 Ų | 65 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 140.5 | 172.2 | 28.3 | -32.8 | 0 | 0 | 0 | 109.6 | D214 | P212-D214 PolarHBondContact O-N 3.48Š|
| 213 | I | 66.4 | Low | 70 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 19% | 0.185 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 126 | 168.2 | -56.4 | 174.8 | 0 | 0 | 0 | 107.2 | Y379 Y382 | I213-Y379 HydrophobicContact CG1-CE2 4.4Å; I213-Y382 HydrophobicContact CD1-CD2 4.47Å; I213-Y382 HydrophobicContact CD1-CG 4.5Å |
| 214 | D | 60.5 | Low | 71.7 | Confident | 105 Ų | 105 | 67 Ų | 67 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 146.2 | 179 | -73.1 | -35.2 | 0 | 0 | 0 | 111 | P212 | P212-D214 PolarHBondContact O-N 3.48Š|
| 215 | T | 64.9 | Low | 73.4 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | trans | -114.1 | 119.1 | -178.6 | 53.2 | 0 | 0 | 0 | 0 | 109 | L186 | L186-T215 VanDerWaalsContact CD2-OG1 3.27Å; L186-T215 WeakPolarHBondContact CD2-OG1 3.12Å | ||
| 216 | C | 72.1 | Confident | 74.8 | Confident | 26 Ų | 26 | 66.9 Ų | 66.9 | 18% | 0.176 | 34% | 0.34 | C | S | . | . | trans | -118.1 | 157.6 | 178.9 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | C7 P176 T218 | C7-C216 HydrophobicContact CB-CB 3.32Å; C7-C216 WeakPolarHBondContact CB-SG 2.92Å; C7-C216 WeakPolarHBondContact SG-CB 3.3Å; C7-C216 CovalentContact SG-SG 1.99Å; C7-C216 PolarHBondContact SG-SG 2.98Å; P176-C216 HydrophobicContact CB-CB 4.42Å; C216-T218 WeakPolarHBondContact O-CG2 3.49Å; C216-T218 PolarHBondContact O-N 3.42Å | ||
| 217 | Y | 79.9 | Confident | 76.2 | Confident | 13 Ų | 13 | 67 Ų | 67 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | trans | -60.1 | 128.5 | 173.1 | -60.1 | -65.7 | 0 | 0 | 0 | 109.2 | L177 Q179 L186 E972 I975 I979 | L177-Y217 PolarHBondContact N-O 3.37Å; Q179-Y217 VanDerWaalsContact NE2-N 3.12Å; L186-Y217 HydrophobicContact CD1-CE1 3.84Å; L186-Y217 HydrophobicContact CD1-CE2 4.38Å; L186-Y217 WeakPolarHBondContact CD1-OH 3.12Å; Y217-E972 HydrophobicContact CD1-CB 4.46Å; Y217-E972 HydrophobicContact CD1-CG 3.86Å; Y217-E972 HydrophobicContact CE1-CB 4.38Å; Y217-E972 HydrophobicContact CE1-CG 4.27Å; Y217-I975 HydrophobicContact CD1-CG2 4.46Å; Y217-I975 HydrophobicContact CD2-CG2 4.2Å; Y217-I975 HydrophobicContact CE1-CB 4.48Å; Y217-I975 HydrophobicContact CE1-CD1 4.39Å; Y217-I975 HydrophobicContact CE1-CG2 4.14Å; Y217-I975 HydrophobicContact CE2-CG2 3.89Å; Y217-I975 HydrophobicContact CG-CG2 4.47Å; Y217-I975 VanDerWaalsContact OH-CD1 3.27Å; Y217-I975 WeakPolarHBondContact OH-CD1 3.5Å; Y217-I979 HydrophobicContact CD2-CD1 4.16Å | ||
| 218 | T | 85.1 | Confident | 77.4 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 153.4 | -177.7 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | R174 K175 C216 N500 | R174-T218 PolarHBondContact NE-OG1 2.96Å; R174-T218 PolarHBondContact NH2-O 3.44Å; K175-T218 CarbonylContact O-C 3.59Å; K175-T218 WeakPolarHBondContact O-CA 3.32Å; K175-T218 WeakPolarHBondContact O-CB 3.49Å; C216-T218 WeakPolarHBondContact O-CG2 3.49Å; C216-T218 PolarHBondContact O-N 3.42Å; T218-N500 VanDerWaalsContact CG2-ND2 3.29Å; T218-N500 WeakPolarHBondContact CG2-ND2 3.45Å; T218-N500 PolarHBondContact OG1-ND2 3.31Å |
| 219 | W | 86.3 | Confident | 78.8 | Confident | 77 Ų | 77 | 54.5 Ų | 54.5 | 29% | 0.292 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 152.2 | 175.4 | -166.1 | -107.2 | 0 | 0 | 0 | 110.4 | R174 K175 L177 F221 F229 T976 I980 | R174-W219 CarbonylContact C-O 3.59Å; R174-W219 VanDerWaalsContact CA-O 3.28Å; R174-W219 WeakPolarHBondContact CA-O 3.45Å; K175-W219 PolarHBondContact N-O 3.13Å; K175-W219 PolarHBondContact O-N 2.79Å; L177-W219 HydrophobicContact CD1-CB 4.15Å; L177-W219 HydrophobicContact CD2-CB 3.77Å; L177-W219 HydrophobicContact CG-CB 4.03Å; W219-F221 PolarHBondContact O-N 3.31Å; W219-F229 HydrophobicContact CB-CE1 4.11Å; W219-T976 HydrophobicContact CD2-CG2 3.96Å; W219-T976 HydrophobicContact CE3-CG2 3.21Å; W219-T976 HydrophobicContact CZ3-CG2 3.58Å; W219-I980 HydrophobicContact CD2-CD1 3.67Å; W219-I980 HydrophobicContact CE3-CD1 4.04Å; W219-I980 HydrophobicContact CG-CD1 4.17Å; W219-I980 HydrophobicContact CH2-CD1 4.03Å; W219-I980 HydrophobicContact CZ2-CD1 3.73Å; W219-I980 HydrophobicContact CZ3-CD1 4.18Å |
| 220 | P | 88.5 | Confident | 79.8 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 24% | 0.24 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 127.3 | 172.2 | -24.8 | 35.7 | 0 | 0 | 0 | 110.7 | R174 F229 | R174-P220 HydrophobicContact CG-CG 4.44Å; P220-F229 WeakPolarHBondContact O-CZ 3.39Å |
| 221 | F | 90.2 | Very high | 80.7 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | trans | -62.7 | 136.5 | -179.6 | -173.6 | -95.9 | 0 | 0 | 0 | 110.5 | T165 A168 E169 M173 K175 W219 M223 Q226 F229 F238 | T165-F221 HydrophobicContact CG2-CE1 3.82Å; T165-F221 HydrophobicContact CG2-CZ 3.64Å; A168-F221 HydrophobicContact CB-CB 4.25Å; A168-F221 HydrophobicContact CB-CD1 3.67Å; A168-F221 HydrophobicContact CB-CE1 4.32Å; A168-F221 HydrophobicContact CB-CG 4.09Å; E169-F221 HydrophobicContact CB-CD1 4.49Å; M173-F221 WeakPolarHBondContact O-CB 3.49Å; M173-F221 PolarHBondContact O-N 2.79Å; K175-F221 HydrophobicContact CB-CD2 4.39Å; K175-F221 HydrophobicContact CG-CB 4.17Å; K175-F221 HydrophobicContact CG-CD2 4.21Å; W219-F221 PolarHBondContact O-N 3.31Å; F221-M223 HydrophobicContact CE1-CG 4.11Å; F221-Q226 HydrophobicContact CE2-CG 4.48Å; F221-Q226 HydrophobicContact CZ-CG 4Å; F221-F229 HydrophobicContact CD2-CD1 4.42Å; F221-F229 AromaticContact CD2-CD2 3.9Å; F221-F229 HydrophobicContact CD2-CD2 3.9Å; F221-F229 HydrophobicContact CD2-CE1 4.48Å; F221-F229 AromaticContact CD2-CE2 3.97Å; F221-F229 HydrophobicContact CD2-CE2 3.97Å; F221-F229 HydrophobicContact CD2-CG 4.15Å; F221-F229 HydrophobicContact CD2-CZ 4.29Å; F221-F229 HydrophobicContact CE2-CD2 4.03Å; F221-F229 HydrophobicContact CE2-CE2 4.4Å; F221-F229 HydrophobicContact CE2-CG 4.42Å; F221-F238 AromaticContact CD2-CE1 3.88Å; F221-F238 HydrophobicContact CD2-CE1 3.88Å; F221-F238 HydrophobicContact CD2-CZ 4.03Å; F221-F238 AromaticContact CE2-CE1 3.77Å; F221-F238 HydrophobicContact CE2-CE1 3.77Å; F221-F238 HydrophobicContact CE2-CZ 4.06Å | ||
| 222 | S | 90.3 | Very high | 81.4 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | trans | -136.1 | 131.7 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | E169 N224 R225 Q226 | E169-S222 WeakPolarHBondContact OE1-CA 3.36Å; E169-S222 WeakPolarHBondContact OE1-CB 3.48Å; E169-S222 PolarHBondContact OE1-OG 3.37Å; S222-N224 VanDerWaalsContact C-N 3.29Å; S222-N224 PolarHBondContact O-N 2.97Å; S222-R225 CarbonylContact O-C 3.49Å; S222-R225 PolarHBondContact O-N 3.33Å; S222-R225 VanDerWaalsContact O-N 3.16Å; S222-Q226 PolarHBondContact O-N 2.93Å | ||
| 223 | M | 88.1 | Confident | 82.2 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -64.4 | -35.4 | -177.3 | -68.9 | -171.1 | -67.6 | 0 | 0 | 112.1 | Y166 E169 F221 R225 Q226 | Y166-M223 HydrophobicContact CD2-CE 4.05Å; E169-M223 HydrophobicContact CB-CG 4.34Å; E169-M223 PolarHBondContact OE1-N 3.15Å; E169-M223 WeakPolarHBondContact OE2-CB 3.43Å; E169-M223 WeakPolarHBondContact OE2-CE 3.38Å; E169-M223 WeakPolarHBondContact OE2-CG 3.47Å; E169-M223 PolarHBondContact OE2-N 2.87Å; E169-M223 VanDerWaalsContact OE2-N 3.08Å; F221-M223 HydrophobicContact CE1-CG 4.11Å; M223-R225 PolarHBondContact O-N 2.95Å; M223-Q226 VanDerWaalsContact O-CG 3.32Å; M223-Q226 WeakPolarHBondContact O-CG 3.33Å; M223-Q226 PolarHBondContact O-NE2 3.18Å |
| 224 | N | 87.1 | Confident | 82.9 | Confident | 146 Ų | 146 | 58.4 Ų | 58.4 | 78% | 0.781 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -71.7 | -16.8 | 179.2 | -68.2 | -17.8 | 0 | 0 | 0 | 113.1 | S222 | S222-N224 VanDerWaalsContact C-N 3.29Å; S222-N224 PolarHBondContact O-N 2.97Å |
| 225 | R | 88.2 | Confident | 84 | Confident | 93 Ų | 93 | 58.6 Ų | 58.6 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -120.9 | 33.7 | -174.4 | -59.8 | 176.8 | 174.2 | -134.2 | -8.4 | 112.4 | S222 M223 Y227 L228 F229 E984 | S222-R225 CarbonylContact O-C 3.49Å; S222-R225 PolarHBondContact O-N 3.33Å; S222-R225 VanDerWaalsContact O-N 3.16Å; M223-R225 PolarHBondContact O-N 2.95Å; R225-Y227 HydrophobicContact CB-CE1 4.37Å; R225-Y227 PolarHBondContact O-N 2.73Å; R225-Y227 VanDerWaalsContact O-N 3.15Å; R225-L228 HydrophobicContact CB-CD1 3.73Å; R225-L228 HydrophobicContact CB-CG 4.1Å; R225-L228 HydrophobicContact CG-CD1 4.32Å; R225-L228 WeakPolarHBondContact O-CB 3.25Å; R225-L228 PolarHBondContact O-N 3Å; R225-F229 WeakPolarHBondContact O-CD2 3.31Å; R225-F229 WeakPolarHBondContact O-CE2 3.43Å; R225-E984 IonicContact CZ-OE1 2.86Å; R225-E984 IonicContact NH1-OE1 3.04Å; R225-E984 PolarHBondContact NH1-OE1 3.23Å; R225-E984 IonicContact NH2-OE1 2.77Å; R225-E984 PolarHBondContact NH2-OE1 3.28Å; R225-E984 VanDerWaalsContact NH2-OE1 3.08Å |
| 226 | Q | 85.9 | Confident | 84.7 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -54.1 | -33.8 | -179.9 | -80.4 | 173.7 | 59.6 | 0 | 0 | 113.5 | F221 S222 M223 L228 F229 I231 | F221-Q226 HydrophobicContact CE2-CG 4.48Å; F221-Q226 HydrophobicContact CZ-CG 4Å; S222-Q226 PolarHBondContact O-N 2.93Å; M223-Q226 VanDerWaalsContact O-CG 3.32Å; M223-Q226 WeakPolarHBondContact O-CG 3.33Å; M223-Q226 PolarHBondContact O-NE2 3.18Å; Q226-L228 PolarHBondContact O-N 2.76Å; Q226-L228 VanDerWaalsContact O-N 3.12Å; Q226-F229 PolarHBondContact O-N 2.88Å; Q226-F229 VanDerWaalsContact O-N 3.08Å; Q226-I231 HydrophobicContact CB-CD1 4.25Å |
| 227 | Y | 84.1 | Confident | 85.1 | Confident | 84 Ų | 84 | 61.2 Ų | 61.2 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -61.7 | -17.8 | 178.8 | 67.6 | -91.3 | 0 | 0 | 0 | 114.5 | R225 F229 A983 N987 | R225-Y227 HydrophobicContact CB-CE1 4.37Å; R225-Y227 PolarHBondContact O-N 2.73Å; R225-Y227 VanDerWaalsContact O-N 3.15Å; Y227-F229 VanDerWaalsContact C-N 3.34Å; Y227-A983 HydrophobicContact CE2-CB 4.29Å; Y227-N987 VanDerWaalsContact CE1-ND2 3.31Å; Y227-N987 WeakPolarHBondContact CE1-ND2 3.16Å; Y227-N987 HydrophobicContact CE2-CB 3.95Å; Y227-N987 VanDerWaalsContact CZ-ND2 3.32Å; Y227-N987 PolarHBondContact OH-ND2 3.16Å |
| 228 | L | 86.8 | Confident | 85.5 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -75.5 | -22.9 | 176.3 | -64.7 | -178 | 0 | 0 | 0 | 112.9 | L177 R178 R225 Q226 A983 | L177-L228 CarbonylContact C-O 3.6Å; L177-L228 WeakPolarHBondContact CA-O 3.48Å; L177-L228 HydrophobicContact CD2-CB 4.04Å; L177-L228 WeakPolarHBondContact CD2-O 3.48Å; R178-L228 PolarHBondContact N-O 2.95Å; R225-L228 HydrophobicContact CB-CD1 3.73Å; R225-L228 HydrophobicContact CB-CG 4.1Å; R225-L228 HydrophobicContact CG-CD1 4.32Å; R225-L228 WeakPolarHBondContact O-CB 3.25Å; R225-L228 PolarHBondContact O-N 3Å; Q226-L228 PolarHBondContact O-N 2.76Å; Q226-L228 VanDerWaalsContact O-N 3.12Å; L228-A983 HydrophobicContact CD2-CB 3.28Å |
| 229 | F | 88 | Confident | 85.7 | Confident | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 150 | -170.5 | -58.6 | -79.2 | 0 | 0 | 0 | 112.1 | K175 P176 L177 W219 P220 F221 R225 Q226 Y227 I231 F238 | K175-F229 HydrophobicContact CB-CD1 3.83Å; K175-F229 HydrophobicContact CB-CE1 4.17Å; P176-F229 WeakPolarHBondContact O-CA 3.45Å; L177-F229 HydrophobicContact CD2-CD1 4.26Å; L177-F229 HydrophobicContact CD2-CE1 4.16Å; W219-F229 HydrophobicContact CB-CE1 4.11Å; P220-F229 WeakPolarHBondContact O-CZ 3.39Å; F221-F229 HydrophobicContact CD2-CD1 4.42Å; F221-F229 AromaticContact CD2-CD2 3.9Å; F221-F229 HydrophobicContact CD2-CD2 3.9Å; F221-F229 HydrophobicContact CD2-CE1 4.48Å; F221-F229 AromaticContact CD2-CE2 3.97Å; F221-F229 HydrophobicContact CD2-CE2 3.97Å; F221-F229 HydrophobicContact CD2-CG 4.15Å; F221-F229 HydrophobicContact CD2-CZ 4.29Å; F221-F229 HydrophobicContact CE2-CD2 4.03Å; F221-F229 HydrophobicContact CE2-CE2 4.4Å; F221-F229 HydrophobicContact CE2-CG 4.42Å; R225-F229 WeakPolarHBondContact O-CD2 3.31Å; R225-F229 WeakPolarHBondContact O-CE2 3.43Å; Q226-F229 PolarHBondContact O-N 2.88Å; Q226-F229 VanDerWaalsContact O-N 3.08Å; Y227-F229 VanDerWaalsContact C-N 3.34Å; F229-I231 HydrophobicContact CB-CG1 4.17Å; F229-I231 PolarHBondContact O-N 2.84Å; F229-I231 VanDerWaalsContact O-N 3.12Å; F229-F238 HydrophobicContact CB-CE2 4.3Å; F229-F238 HydrophobicContact CB-CZ 4.08Å |
| 230 | D | 84.3 | Confident | 85.8 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | trans | -82.2 | 83.7 | 174.4 | -166.5 | 31.3 | 0 | 0 | 0 | 109.5 | P176 P232 | P176-D230 HydrophobicContact CB-CB 4.5Å; P176-D230 HydrophobicContact CG-CB 4.48Å; P176-D230 PolarHBondContact O-N 3.45Å; D230-P232 WeakPolarHBondContact O-CD 3.41Å | ||
| 231 | I | 85.9 | Confident | 85.7 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 26% | 0.256 | 28% | 0.279 | S | S | . | . | trans | -90.1 | 117.7 | -179.5 | -57.3 | 172.1 | 0 | 0 | 0 | 108.4 | W161 Q226 F229 K235 F238 | W161-I231 HydrophobicContact CH2-CD1 4.38Å; W161-I231 HydrophobicContact CH2-CG2 3.89Å; W161-I231 HydrophobicContact CZ2-CD1 4.18Å; W161-I231 HydrophobicContact CZ2-CG2 4.31Å; Q226-I231 HydrophobicContact CB-CD1 4.25Å; F229-I231 HydrophobicContact CB-CG1 4.17Å; F229-I231 PolarHBondContact O-N 2.84Å; F229-I231 VanDerWaalsContact O-N 3.12Å; I231-K235 HydrophobicContact CG2-CG 4.41Å; I231-F238 HydrophobicContact CG1-CD2 4.39Å; I231-F238 HydrophobicContact CG1-CE2 4.13Å; I231-F238 HydrophobicContact CG1-CZ 4.37Å | ||
| 232 | P | 83.1 | Confident | 85.8 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | trans | -62.6 | 162.1 | 175.8 | -19.5 | 31.5 | 0 | 0 | 0 | 112.6 | D230 N234 | D230-P232 WeakPolarHBondContact O-CD 3.41Å; P232-N234 VanDerWaalsContact C-N 3.27Å; P232-N234 PolarHBondContact O-N 3.48Å | ||
| 233 | E | 80.7 | Confident | 85.8 | Confident | 208 Ų | 208 | 58.1 Ų | 58.1 | 97% | 0.972 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -56 | -44.5 | 173.1 | -66.4 | -178 | -179.7 | 0 | 0 | 111.3 | K235 | E233-K235 PolarHBondContact O-N 3.28Š|
| 234 | N | 80.4 | Confident | 86.1 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -83.6 | 99.6 | 168.7 | -171.7 | 5.3 | 0 | 0 | 0 | 110.5 | P232 D236 E237 | P232-N234 VanDerWaalsContact C-N 3.27Å; P232-N234 PolarHBondContact O-N 3.48Å; N234-D236 PolarHBondContact O-N 2.77Å; N234-D236 VanDerWaalsContact O-N 3.14Å; N234-D236 PolarHBondContact OD1-N 2.87Å; N234-E237 HydrophobicContact CB-CG 4.33Å; N234-E237 PolarHBondContact ND2-OE1 3.46Å; N234-E237 PolarHBondContact O-N 2.93Å; N234-E237 VanDerWaalsContact O-N 3.16Å |
| 235 | K | 84.3 | Confident | 86.3 | Confident | 109 Ų | 109 | 48.8 Ų | 48.8 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -55.8 | -30.4 | -178.8 | -69.8 | -177.7 | -179.1 | 179.8 | 0 | 113.7 | W161 I231 E233 E237 F238 | W161-K235 HydrophobicContact CD2-CB 4.07Å; W161-K235 HydrophobicContact CD2-CD 3.87Å; W161-K235 HydrophobicContact CD2-CG 4.35Å; W161-K235 HydrophobicContact CE3-CB 3.62Å; W161-K235 HydrophobicContact CE3-CD 4.3Å; W161-K235 HydrophobicContact CE3-CG 4.3Å; W161-K235 HydrophobicContact CG-CD 4.04Å; W161-K235 HydrophobicContact CH2-CB 4.47Å; W161-K235 HydrophobicContact CZ3-CB 3.83Å; W161-K235 HydrophobicContact CZ3-CG 4.4Å; W161-K235 VanDerWaalsContact CZ3-O 3.29Å; W161-K235 WeakPolarHBondContact CZ3-O 3.5Å; I231-K235 HydrophobicContact CG2-CG 4.41Å; E233-K235 PolarHBondContact O-N 3.28Å; K235-E237 PolarHBondContact O-N 3.23Å; K235-F238 WeakPolarHBondContact O-CB 3.46Å; K235-F238 PolarHBondContact O-N 2.72Å |
| 236 | D | 79.6 | Confident | 86.5 | Confident | 37 Ų | 37 | 45.6 Ų | 45.6 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -66.2 | -22.4 | -178.3 | -84.7 | -23.4 | 0 | 0 | 0 | 113.9 | H158 N234 F238 R244 | H158-D236 IonicContact CE1-OD1 3.75Å; H158-D236 IonicContact CE1-OD2 3.48Å; H158-D236 IonicContact NE2-OD1 2.95Å; N234-D236 PolarHBondContact O-N 2.77Å; N234-D236 VanDerWaalsContact O-N 3.14Å; N234-D236 PolarHBondContact OD1-N 2.87Å; D236-F238 VanDerWaalsContact C-N 3.35Å; D236-R244 IonicContact OD1-CZ 2.6Å; D236-R244 IonicContact OD1-NH1 3.76Å; D236-R244 PolarHBondContact OD1-NH1 2.79Å; D236-R244 IonicContact OD1-NH2 2.79Å |
| 237 | E | 81.3 | Confident | 86.8 | Confident | 106 Ų | 106 | 42.1 Ų | 42.1 | 50% | 0.495 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -80.2 | -15.3 | -180 | -67 | 178.9 | -161.3 | 0 | 0 | 113.6 | N234 K235 F239 | N234-E237 HydrophobicContact CB-CG 4.33Å; N234-E237 PolarHBondContact ND2-OE1 3.46Å; N234-E237 PolarHBondContact O-N 2.93Å; N234-E237 VanDerWaalsContact O-N 3.16Å; K235-E237 PolarHBondContact O-N 3.23Å; E237-F239 VanDerWaalsContact C-N 3.31Å; E237-F239 PolarHBondContact O-N 3.24Å |
| 238 | F | 87.1 | Confident | 87.2 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -66.6 | -32.7 | -179.1 | -175.7 | -110.9 | 0 | 0 | 0 | 112.9 | W161 K175 P176 F221 F229 I231 K235 D236 | W161-F238 HydrophobicContact CH2-CB 4.33Å; W161-F238 AromaticContact CH2-CD1 3.83Å; W161-F238 HydrophobicContact CH2-CD1 3.83Å; W161-F238 HydrophobicContact CH2-CE1 4.41Å; W161-F238 HydrophobicContact CH2-CG 4.24Å; W161-F238 HydrophobicContact CZ3-CB 4.03Å; W161-F238 HydrophobicContact CZ3-CD1 4.01Å; W161-F238 HydrophobicContact CZ3-CG 4.35Å; K175-F238 HydrophobicContact CB-CE1 4.1Å; K175-F238 HydrophobicContact CB-CE2 4.16Å; K175-F238 HydrophobicContact CB-CZ 3.46Å; K175-F238 VanDerWaalsContact CB-CZ 3.46Å; K175-F238 HydrophobicContact CD-CD1 4.35Å; K175-F238 HydrophobicContact CD-CE1 3.8Å; K175-F238 HydrophobicContact CD-CE2 4.38Å; K175-F238 HydrophobicContact CD-CZ 3.84Å; K175-F238 HydrophobicContact CG-CE1 3.64Å; K175-F238 HydrophobicContact CG-CE2 4.45Å; K175-F238 HydrophobicContact CG-CZ 3.55Å; K175-F238 PolarHBondContact NZ-O 3.37Å; P176-F238 HydrophobicContact CG-CE2 4.27Å; F221-F238 AromaticContact CD2-CE1 3.88Å; F221-F238 HydrophobicContact CD2-CE1 3.88Å; F221-F238 HydrophobicContact CD2-CZ 4.03Å; F221-F238 AromaticContact CE2-CE1 3.77Å; F221-F238 HydrophobicContact CE2-CE1 3.77Å; F221-F238 HydrophobicContact CE2-CZ 4.06Å; F229-F238 HydrophobicContact CB-CE2 4.3Å; F229-F238 HydrophobicContact CB-CZ 4.08Å; I231-F238 HydrophobicContact CG1-CD2 4.39Å; I231-F238 HydrophobicContact CG1-CE2 4.13Å; I231-F238 HydrophobicContact CG1-CZ 4.37Å; K235-F238 WeakPolarHBondContact O-CB 3.46Å; K235-F238 PolarHBondContact O-N 2.72Å; D236-F238 VanDerWaalsContact C-N 3.35Å |
| 239 | F | 89.1 | Confident | 87.4 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.022 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -102.2 | 129.5 | 176.1 | -63.2 | -76.8 | 0 | 0 | 0 | 110.7 | W161 M164 A168 M173 E237 R244 | W161-F239 HydrophobicContact CE3-CD2 4.39Å; W161-F239 AromaticContact CE3-CE2 3.98Å; W161-F239 HydrophobicContact CE3-CE2 3.98Å; W161-F239 HydrophobicContact CH2-CE2 4.19Å; W161-F239 HydrophobicContact CZ3-CD2 4.02Å; W161-F239 AromaticContact CZ3-CE2 3.59Å; W161-F239 HydrophobicContact CZ3-CE2 3.59Å; M164-F239 HydrophobicContact CB-CD2 3.82Å; M164-F239 HydrophobicContact CB-CE2 3.6Å; M164-F239 HydrophobicContact CB-CZ 4.15Å; M164-F239 HydrophobicContact CE-CB 3.71Å; M164-F239 HydrophobicContact CE-CD1 3.6Å; M164-F239 HydrophobicContact CE-CD2 3.88Å; M164-F239 HydrophobicContact CE-CE1 4.18Å; M164-F239 HydrophobicContact CE-CE2 4.39Å; M164-F239 HydrophobicContact CE-CG 3.45Å; M164-F239 VanDerWaalsContact CE-CG 3.45Å; M164-F239 HydrophobicContact CG-CD2 4.3Å; A168-F239 HydrophobicContact CB-CE1 3.53Å; A168-F239 HydrophobicContact CB-CZ 3.74Å; M173-F239 HydrophobicContact SD-CD1 4.29Å; M173-F239 HydrophobicContact SD-CE1 4.23Å; E237-F239 VanDerWaalsContact C-N 3.31Å; E237-F239 PolarHBondContact O-N 3.24Å; F239-R244 HydrophobicContact CB-CG 3.74Å |
| 240 | T | 87.8 | Confident | 87.4 | Confident | 21 Ų | 21 | 39.8 Ų | 39.8 | 13% | 0.129 | 20% | 0.2 | C | C | . | . | trans | -69 | 153.6 | 176.5 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | V242 E243 R244 Y382 | T240-V242 PolarHBondContact O-N 3.45Å; T240-V242 VanDerWaalsContact O-N 3.11Å; T240-E243 PolarHBondContact N-OE2 2.6Å; T240-E243 PolarHBondContact O-N 3.26Å; T240-E243 VanDerWaalsContact OG1-CD 3.22Å; T240-E243 VanDerWaalsContact OG1-CG 3.23Å; T240-E243 WeakPolarHBondContact OG1-CG 3.18Å; T240-E243 PolarHBondContact OG1-N 2.93Å; T240-E243 PolarHBondContact OG1-OE2 3.25Å; T240-R244 WeakPolarHBondContact O-CG 3.44Å; T240-R244 PolarHBondContact O-N 3.1Å; T240-Y382 HydrophobicContact CG2-CD2 4.32Å; T240-Y382 HydrophobicContact CG2-CE2 3.8Å | ||
| 241 | A | 88.2 | Confident | 87.6 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57 | -29.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A245 | A241-A245 VanDerWaalsContact O-CB 3.27Å; A241-A245 WeakPolarHBondContact O-CB 3.29Å; A241-A245 PolarHBondContact O-N 2.95Å; A241-A245 VanDerWaalsContact O-N 3.09Å |
| 242 | V | 90.9 | Very high | 87.8 | Confident | 24 Ų | 24 | 35.7 Ų | 35.7 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.8 | -45.2 | 175.7 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | T240 A245 L246 Y382 Y383 | T240-V242 PolarHBondContact O-N 3.45Å; T240-V242 VanDerWaalsContact O-N 3.11Å; V242-A245 PolarHBondContact O-N 3.5Å; V242-L246 WeakPolarHBondContact O-CB 3.42Å; V242-L246 PolarHBondContact O-N 3.05Å; V242-Y382 VanDerWaalsContact CG2-O 3.26Å; V242-Y382 WeakPolarHBondContact CG2-O 3.49Å; V242-Y383 VanDerWaalsContact CG2-O 3.28Å; V242-Y383 WeakPolarHBondContact CG2-O 3.17Å |
| 243 | E | 91.3 | Very high | 87.6 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 178.2 | -69.7 | 162.1 | 145.8 | 0 | 0 | 111.5 | M173 K175 T240 L246 V247 | M173-E243 HydrophobicContact CE-CB 4.48Å; M173-E243 HydrophobicContact SD-CB 4.27Å; M173-E243 HydrophobicContact SD-CG 4.31Å; K175-E243 IonicContact NZ-OE1 3.86Å; K175-E243 PolarHBondContact NZ-OE1 2.79Å; K175-E243 IonicContact NZ-OE2 3.47Å; K175-E243 PolarHBondContact NZ-OE2 2.84Å; T240-E243 PolarHBondContact N-OE2 2.6Å; T240-E243 PolarHBondContact O-N 3.26Å; T240-E243 VanDerWaalsContact OG1-CD 3.22Å; T240-E243 VanDerWaalsContact OG1-CG 3.23Å; T240-E243 WeakPolarHBondContact OG1-CG 3.18Å; T240-E243 PolarHBondContact OG1-N 2.93Å; T240-E243 PolarHBondContact OG1-OE2 3.25Å; E243-L246 WeakPolarHBondContact O-CB 3.41Å; E243-L246 PolarHBondContact O-N 3.16Å; E243-V247 WeakPolarHBondContact O-CG2 3.35Å; E243-V247 PolarHBondContact O-N 3.32Å |
| 244 | R | 93.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.3 | -62.9 | 178.6 | 69.5 | 95.3 | 17.1 | 111.5 | D29 H158 A159 M164 D236 F239 T240 L246 V247 L248 | D29-R244 HydrophobicContact CB-CB 4.28Å; D29-R244 WeakPolarHBondContact OD1-CD 3.4Å; D29-R244 IonicContact OD1-CZ 3.42Å; D29-R244 IonicContact OD1-NE 3.99Å; D29-R244 PolarHBondContact OD1-NE 3.19Å; D29-R244 IonicContact OD1-NH2 2.66Å; D29-R244 IonicContact OD2-CZ 2.78Å; D29-R244 VanDerWaalsContact OD2-CZ 3.25Å; D29-R244 IonicContact OD2-NE 2.7Å; D29-R244 PolarHBondContact OD2-NE 3.02Å; D29-R244 IonicContact OD2-NH2 3.56Å; D29-R244 PolarHBondContact OD2-NH2 2.96Å; H158-R244 PolarHBondContact CE1-NH2 2.86Å; H158-R244 PolarHBondContact ND1-NH2 3.23Å; H158-R244 VanDerWaalsContact ND1-NH2 3.18Å; H158-R244 PolarHBondContact NE2-NH2 3.35Å; A159-R244 PolarHBondContact O-NH2 2.97Å; M164-R244 HydrophobicContact CE-CB 4.39Å; M164-R244 HydrophobicContact CE-CG 3.77Å; M164-R244 HydrophobicContact SD-CB 4.39Å; M164-R244 HydrophobicContact SD-CG 4.1Å; D236-R244 IonicContact OD1-CZ 2.6Å; D236-R244 IonicContact OD1-NH1 3.76Å; D236-R244 PolarHBondContact OD1-NH1 2.79Å; D236-R244 IonicContact OD1-NH2 2.79Å; F239-R244 HydrophobicContact CB-CG 3.74Å; T240-R244 WeakPolarHBondContact O-CG 3.44Å; T240-R244 PolarHBondContact O-N 3.1Å; R244-L246 VanDerWaalsContact C-N 3.34Å; R244-L246 PolarHBondContact O-N 2.95Å; R244-V247 PolarHBondContact O-N 3.27Å; R244-L248 PolarHBondContact O-N 2.96Å |
| 245 | A | 93.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A241 V242 L248 D249 P320 V832 | A241-A245 VanDerWaalsContact O-CB 3.27Å; A241-A245 WeakPolarHBondContact O-CB 3.29Å; A241-A245 PolarHBondContact O-N 2.95Å; A241-A245 VanDerWaalsContact O-N 3.09Å; V242-A245 PolarHBondContact O-N 3.5Å; A245-L248 PolarHBondContact O-N 3.08Å; A245-D249 VanDerWaalsContact O-CB 3.3Å; A245-D249 WeakPolarHBondContact O-CB 3.35Å; A245-D249 PolarHBondContact O-N 3.33Å; A245-P320 HydrophobicContact CB-CB 3.8Å; A245-P320 HydrophobicContact CB-CG 4.4Å; A245-V832 HydrophobicContact CB-CG2 4.24Å |
| 246 | L | 91.9 | Very high | 86.9 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 13% | 0.131 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.4 | -179.9 | 68.5 | 0 | 0 | 0 | 111.7 | V242 E243 R244 H250 V832 R835 | V242-L246 WeakPolarHBondContact O-CB 3.42Å; V242-L246 PolarHBondContact O-N 3.05Å; E243-L246 WeakPolarHBondContact O-CB 3.41Å; E243-L246 PolarHBondContact O-N 3.16Å; R244-L246 VanDerWaalsContact C-N 3.34Å; R244-L246 PolarHBondContact O-N 2.95Å; L246-H250 WeakPolarHBondContact O-CB 3.46Å; L246-H250 PolarHBondContact O-N 3.4Å; L246-V832 HydrophobicContact CD1-CG1 4.26Å; L246-R835 HydrophobicContact CD2-CG 3.82Å |
| 247 | V | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | M164 Y167 L171 M173 E243 R244 H250 I251 | M164-V247 HydrophobicContact CE-CB 4.46Å; M164-V247 HydrophobicContact CE-CG2 4.01Å; M164-V247 HydrophobicContact SD-CB 3.98Å; M164-V247 HydrophobicContact SD-CG1 3.97Å; M164-V247 HydrophobicContact SD-CG2 4.12Å; Y167-V247 HydrophobicContact CD2-CG1 3.71Å; Y167-V247 HydrophobicContact CG-CG1 3.74Å; L171-V247 HydrophobicContact CD1-CG2 4.12Å; M173-V247 HydrophobicContact CE-CG2 3.43Å; M173-V247 VanDerWaalsContact CE-CG2 3.43Å; E243-V247 WeakPolarHBondContact O-CG2 3.35Å; E243-V247 PolarHBondContact O-N 3.32Å; R244-V247 PolarHBondContact O-N 3.27Å; V247-H250 WeakPolarHBondContact O-CB 3.43Å; V247-H250 PolarHBondContact O-N 3.35Å; V247-I251 HydrophobicContact CG1-CD1 3.76Å; V247-I251 HydrophobicContact CG1-CG1 4.41Å; V247-I251 VanDerWaalsContact O-CG1 3.25Å; V247-I251 WeakPolarHBondContact O-CG1 3.27Å; V247-I251 PolarHBondContact O-N 2.95Å |
| 248 | L | 93.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.4 | -42.3 | 178.6 | -76.8 | 171 | 0 | 0 | 0 | 112.6 | D29 Y30 I59 L157 A159 R244 A245 H250 I251 L252 | D29-L248 HydrophobicContact CB-CD1 3.37Å; Y30-L248 HydrophobicContact CD2-CB 3.98Å; Y30-L248 HydrophobicContact CG-CB 4.31Å; I59-L248 HydrophobicContact CD1-CD2 3.83Å; I59-L248 HydrophobicContact CG1-CD2 4.09Å; I59-L248 HydrophobicContact CG2-CD2 4.11Å; L157-L248 HydrophobicContact CB-CD1 4.32Å; A159-L248 HydrophobicContact CB-CD1 4.43Å; A159-L248 HydrophobicContact CB-CD2 4.09Å; A159-L248 HydrophobicContact CB-CG 4.15Å; R244-L248 PolarHBondContact O-N 2.96Å; A245-L248 PolarHBondContact O-N 3.08Å; L248-H250 VanDerWaalsContact C-N 3.25Å; L248-H250 PolarHBondContact O-N 2.95Å; L248-I251 PolarHBondContact O-N 3.04Å; L248-L252 VanDerWaalsContact O-CB 3.29Å; L248-L252 WeakPolarHBondContact O-CB 3.16Å; L248-L252 WeakPolarHBondContact O-CG 3.22Å; L248-L252 PolarHBondContact O-N 2.78Å |
| 249 | D | 90.3 | Very high | 84 | Confident | 17 Ų | 17 | 23.8 Ų | 23.8 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 174.9 | -166.7 | 74.2 | 0 | 0 | 0 | 111.3 | Y30 A245 R253 V832 | Y30-D249 HydrophobicContact CE2-CB 3.97Å; Y30-D249 PolarHBondContact OH-OD1 2.86Å; A245-D249 VanDerWaalsContact O-CB 3.3Å; A245-D249 WeakPolarHBondContact O-CB 3.35Å; A245-D249 PolarHBondContact O-N 3.33Å; D249-R253 WeakPolarHBondContact O-CB 3.39Å; D249-R253 VanDerWaalsContact O-CG 3.26Å; D249-R253 WeakPolarHBondContact O-CG 3.37Å; D249-R253 PolarHBondContact O-N 3.48Å; D249-R253 IonicContact OD1-NE 3.75Å; D249-R253 IonicContact OD1-NH2 3.16Å; D249-R253 IonicContact OD2-CZ 2.73Å; D249-R253 IonicContact OD2-NE 2.72Å; D249-R253 PolarHBondContact OD2-NE 3.17Å; D249-R253 IonicContact OD2-NH2 2.71Å; D249-R253 PolarHBondContact OD2-NH2 2.91Å; D249-V832 HydrophobicContact CB-CB 4.37Å; D249-V832 HydrophobicContact CB-CG1 3.77Å |
| 250 | H | 87.2 | Confident | 82.2 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.4 | 179.8 | 103.2 | 0 | 0 | 0 | 112.9 | Y167 Y170 L246 V247 L248 R254 | Y167-H250 AromaticContact CE1-CD2 3.83Å; Y170-H250 AromaticContact CE1-CE1 3.87Å; Y170-H250 AromaticContact CE1-NE2 3.64Å; L246-H250 WeakPolarHBondContact O-CB 3.46Å; L246-H250 PolarHBondContact O-N 3.4Å; V247-H250 WeakPolarHBondContact O-CB 3.43Å; V247-H250 PolarHBondContact O-N 3.35Å; L248-H250 VanDerWaalsContact C-N 3.25Å; L248-H250 PolarHBondContact O-N 2.95Å; H250-R254 PolarHBondContact CE1-NE 3Å; H250-R254 PolarHBondContact CE1-NH1 3.47Å; H250-R254 PolarHBondContact CE1-NH2 3.39Å; H250-R254 PolarHBondContact NE2-NE 2.88Å; H250-R254 PolarHBondContact NE2-NH1 3.11Å; H250-R254 WeakPolarHBondContact O-CG 3.32Å; H250-R254 PolarHBondContact O-N 3.44Å |
| 251 | I | 89.1 | Confident | 80 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -52.3 | 176 | -62.4 | 163.6 | 0 | 0 | 0 | 109.9 | L54 Q57 I59 Y167 V247 L248 R253 R254 T255 | L54-I251 HydrophobicContact CD2-CG2 4.05Å; Q57-I251 HydrophobicContact CB-CG2 4.41Å; Q57-I251 HydrophobicContact CG-CG2 4.41Å; I59-I251 HydrophobicContact CD1-CB 4.24Å; I59-I251 HydrophobicContact CD1-CD1 3.95Å; I59-I251 HydrophobicContact CD1-CG2 3.63Å; I59-I251 HydrophobicContact CG1-CD1 4.41Å; Y167-I251 HydrophobicContact CD2-CD1 3.78Å; Y167-I251 HydrophobicContact CD2-CG1 4.16Å; Y167-I251 HydrophobicContact CE1-CG1 4.13Å; Y167-I251 HydrophobicContact CE2-CD1 3.35Å; Y167-I251 HydrophobicContact CE2-CG1 3.5Å; Y167-I251 VanDerWaalsContact CZ-CG1 3.48Å; V247-I251 HydrophobicContact CG1-CD1 3.76Å; V247-I251 HydrophobicContact CG1-CG1 4.41Å; V247-I251 VanDerWaalsContact O-CG1 3.25Å; V247-I251 WeakPolarHBondContact O-CG1 3.27Å; V247-I251 PolarHBondContact O-N 2.95Å; L248-I251 PolarHBondContact O-N 3.04Å; I251-R253 VanDerWaalsContact C-N 3.25Å; I251-R253 PolarHBondContact O-N 3.08Å; I251-R254 PolarHBondContact O-N 3.1Å; I251-T255 HydrophobicContact CG2-CG2 3.55Å; I251-T255 WeakPolarHBondContact O-CG2 3.36Å; I251-T255 PolarHBondContact O-N 3.24Å; I251-T255 PolarHBondContact O-OG1 3.42Å; I251-T255 VanDerWaalsContact O-OG1 3.12Å |
| 252 | L | 89.2 | Confident | 78 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.8 | -37.4 | -177.5 | -74.9 | 169 | 0 | 0 | 0 | 113 | Y30 L32 F50 L54 L157 L248 T255 I306 | Y30-L252 HydrophobicContact CD1-CD1 3.7Å; Y30-L252 HydrophobicContact CE1-CD1 3.63Å; Y30-L252 HydrophobicContact CE2-CD1 4.46Å; Y30-L252 HydrophobicContact CG-CD1 4.18Å; L32-L252 HydrophobicContact CD1-CD2 4.38Å; L32-L252 HydrophobicContact CD2-CD1 4.17Å; L32-L252 HydrophobicContact CD2-CD2 4.3Å; F50-L252 HydrophobicContact CE1-CD2 4.03Å; F50-L252 HydrophobicContact CZ-CD2 4Å; L54-L252 HydrophobicContact CD1-CD2 3.74Å; L54-L252 HydrophobicContact CD2-CD2 3.85Å; L54-L252 HydrophobicContact CG-CD2 4.47Å; L157-L252 HydrophobicContact CD1-CD1 4.06Å; L157-L252 HydrophobicContact CD1-CD2 3.96Å; L157-L252 HydrophobicContact CD1-CG 4.42Å; L248-L252 VanDerWaalsContact O-CB 3.29Å; L248-L252 WeakPolarHBondContact O-CB 3.16Å; L248-L252 WeakPolarHBondContact O-CG 3.22Å; L248-L252 PolarHBondContact O-N 2.78Å; L252-T255 PolarHBondContact O-OG1 2.63Å; L252-I306 HydrophobicContact CB-CB 4.02Å; L252-I306 HydrophobicContact CB-CG2 3.74Å; L252-I306 WeakPolarHBondContact O-CB 3.42Å; L252-I306 PolarHBondContact O-N 2.78Å |
| 253 | R | 80.3 | Confident | 75.5 | Confident | 110 Ų | 110 | 37.8 Ų | 37.8 | 42% | 0.415 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.8 | -27.1 | 176.7 | -72.7 | 179.4 | -168.4 | -146.7 | 6.3 | 113.4 | D249 I251 G305 I306 | D249-R253 WeakPolarHBondContact O-CB 3.39Å; D249-R253 VanDerWaalsContact O-CG 3.26Å; D249-R253 WeakPolarHBondContact O-CG 3.37Å; D249-R253 PolarHBondContact O-N 3.48Å; D249-R253 IonicContact OD1-NE 3.75Å; D249-R253 IonicContact OD1-NH2 3.16Å; D249-R253 IonicContact OD2-CZ 2.73Å; D249-R253 IonicContact OD2-NE 2.72Å; D249-R253 PolarHBondContact OD2-NE 3.17Å; D249-R253 IonicContact OD2-NH2 2.71Å; D249-R253 PolarHBondContact OD2-NH2 2.91Å; I251-R253 VanDerWaalsContact C-N 3.25Å; I251-R253 PolarHBondContact O-N 3.08Å; R253-G305 WeakPolarHBondContact O-CA 3.37Å; R253-I306 HydrophobicContact CG-CG2 4.3Å |
| 254 | R | 77 | Confident | 72.8 | Confident | 77 Ų | 77 | 43.3 Ų | 43.3 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -100 | -26.1 | -174.2 | -68.8 | 176.6 | 179.4 | -161.8 | -3.8 | 113.6 | Y170 H250 I251 G256 P510 | Y170-R254 PolarHBondContact OH-NH1 3.26Å; Y170-R254 VanDerWaalsContact OH-NH1 3.08Å; H250-R254 PolarHBondContact CE1-NE 3Å; H250-R254 PolarHBondContact CE1-NH1 3.47Å; H250-R254 PolarHBondContact CE1-NH2 3.39Å; H250-R254 PolarHBondContact NE2-NE 2.88Å; H250-R254 PolarHBondContact NE2-NH1 3.11Å; H250-R254 WeakPolarHBondContact O-CG 3.32Å; H250-R254 PolarHBondContact O-N 3.44Å; I251-R254 PolarHBondContact O-N 3.1Å; R254-G256 PolarHBondContact O-N 2.98Å; R254-P510 HydrophobicContact CG-CG 4.45Å |
| 255 | T | 80.5 | Confident | 70 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | trans | -64.1 | 123 | 176.4 | 45.4 | 0 | 0 | 0 | 0 | 110.1 | F50 L54 Q57 I251 L252 G305 | F50-T255 VanDerWaalsContact CE2-OG1 3.31Å; F50-T255 WeakPolarHBondContact CE2-OG1 3.32Å; L54-T255 HydrophobicContact CD2-CG2 3.86Å; Q57-T255 HydrophobicContact CG-CG2 4.21Å; I251-T255 HydrophobicContact CG2-CG2 3.55Å; I251-T255 WeakPolarHBondContact O-CG2 3.36Å; I251-T255 PolarHBondContact O-N 3.24Å; I251-T255 PolarHBondContact O-OG1 3.42Å; I251-T255 VanDerWaalsContact O-OG1 3.12Å; L252-T255 PolarHBondContact O-OG1 2.63Å; T255-G305 WeakPolarHBondContact O-CA 3.42Å; T255-G305 PolarHBondContact O-N 2.91Å | ||
| 256 | G | 72.1 | Confident | 67 | Low | 6 Ų | 6 | 57 Ų | 57 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | R254 N303 | R254-G256 PolarHBondContact O-N 2.98Å; G256-N303 VanDerWaalsContact CA-O 3.31Å; G256-N303 WeakPolarHBondContact CA-O 3.45Å |
| 257 | Y | 70.2 | Confident | 64.3 | Low | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 149.6 | 175.7 | 67.4 | -81.3 | 0 | 0 | 0 | 109.8 | R46 L49 N303 L309 | R46-Y257 HydrophobicContact CG-CE2 4.37Å; R46-Y257 VanDerWaalsContact CZ-OH 3.3Å; R46-Y257 PolarHBondContact NE-OH 3.19Å; R46-Y257 PolarHBondContact NH2-OH 2.9Å; L49-Y257 HydrophobicContact CB-CD2 4.32Å; L49-Y257 HydrophobicContact CB-CG 4.48Å; L49-Y257 HydrophobicContact CD1-CD2 4.29Å; Y257-N303 HydrophobicContact CD1-CB 4.35Å; Y257-N303 HydrophobicContact CE1-CB 3.68Å; Y257-N303 HydrophobicContact CE2-CB 4.44Å; Y257-N303 PolarHBondContact O-N 2.9Å; Y257-N303 PolarHBondContact OH-ND2 2.97Å; Y257-L309 HydrophobicContact CE1-CD2 4.01Å |
| 258 | K | 62.6 | Low | 61.2 | Low | 76 Ų | 76 | 72.2 Ų | 72.2 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | trans | -80.1 | 135.4 | 171.8 | -64.9 | -169.5 | -173.8 | -168.7 | 0 | 108.7 | V298 K302 | K258-V298 HydrophobicContact CD-CG1 4.37Å; K258-K302 HydrophobicContact CG-CG 4.17Å | ||
| 259 | S | 55.1 | Low | 58.3 | Low | 45 Ų | 45 | 82.5 Ų | 82.5 | 32% | 0.315 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -84.2 | -12.6 | 177.2 | -161.6 | 0 | 0 | 0 | 0 | 113.2 | D261 L262 | S259-D261 PolarHBondContact O-N 3.11Å; S259-D261 VanDerWaalsContact O-N 3.1Å; S259-L262 PolarHBondContact O-N 2.97Å |
| 260 | E | 50.3 | Low | 55.4 | Low | 101 Ų | 101 | 90.3 Ų | 90.3 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -60.8 | -19.2 | -175.5 | -75.9 | 162.5 | 178.3 | 0 | 0 | 113.1 | ||
| 261 | D | 43.5 | Very low | 52.7 | Low | 110 Ų | 110 | 94.4 Ų | 94.4 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -82.1 | -10.7 | 177.1 | -58.8 | -32.3 | 0 | 0 | 0 | 114.1 | S259 | S259-D261 PolarHBondContact O-N 3.11Å; S259-D261 VanDerWaalsContact O-N 3.1Å |
| 262 | L | 46 | Very low | 49.8 | Very low | 37 Ų | 37 | 98.1 Ų | 98.1 | 19% | 0.194 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -88.7 | -9.4 | 180 | -76.3 | 158.4 | 0 | 0 | 0 | 113.7 | S45 R46 L49 S259 | S45-L262 VanDerWaalsContact OG-CD2 3.27Å; S45-L262 WeakPolarHBondContact OG-CD2 3.15Å; R46-L262 HydrophobicContact CG-CD1 4.05Å; L49-L262 HydrophobicContact CD1-CD1 4Å; L49-L262 HydrophobicContact CD1-CD2 4.31Å; L49-L262 HydrophobicContact CD1-CG 3.92Å; S259-L262 PolarHBondContact O-N 2.97Å |
| 263 | V | 38.7 | Very low | 47 | Very low | 108 Ų | 108 | 106.8 Ų | 106.8 | 66% | 0.655 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -97 | -2.4 | -168.1 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | T265 | V263-T265 PolarHBondContact O-N 3.1Š|
| 264 | N | 33.2 | Very low | 44.8 | Very low | 141 Ų | 141 | 105.1 Ų | 105.1 | 75% | 0.754 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -91.2 | 11.8 | -176.3 | -71.3 | -19.3 | 0 | 0 | 0 | 115.1 | ||
| 265 | T | 35.5 | Very low | 42.6 | Very low | 110 Ų | 110 | 108 Ų | 108 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -145.9 | 107.3 | 176.4 | 29.1 | 0 | 0 | 0 | 0 | 108.3 | V263 | V263-T265 PolarHBondContact O-N 3.1Š|
| 266 | E | 30.2 | Very low | 40.4 | Very low | 184 Ų | 184 | 115.2 Ų | 115.2 | 86% | 0.86 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 95.4 | 113.8 | 174.8 | -55.6 | 174.5 | 171.7 | 0 | 0 | 115.5 | ||
| 267 | D | 33.5 | Very low | 38.4 | Very low | 162 Ų | 162 | 120.3 Ų | 120.3 | 87% | 0.866 | 64% | 0.639 | S | S | * | * | trans | 87.3 | 95.2 | 164.2 | -55.6 | -19.7 | 0 | 0 | 0 | 120.7 | Y269 | D267-Y269 PolarHBondContact O-N 3.32Š| ||
| 268 | L | 28.2 | Very low | 36.5 | Very low | 181 Ų | 181 | 126.1 Ų | 126.1 | 95% | 0.948 | 68% | 0.675 | S | S | * | * | trans | -58.4 | 85.9 | 163.9 | -151.3 | 101.3 | 0 | 0 | 0 | 111.4 | ||||
| 269 | Y | 31.8 | Very low | 35 | Very low | 217 Ų | 217 | 128.3 Ų | 128.3 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | -154 | 93.3 | 157.7 | -143.5 | -95.2 | 0 | 0 | 0 | 110.9 | D267 P271 | D267-Y269 PolarHBondContact O-N 3.32Å; Y269-P271 WeakPolarHBondContact O-CD 3.27Å | ||
| 270 | E | 29.3 | Very low | 33.9 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 117.7 | 175.3 | -166.7 | 172.8 | -153.2 | 0 | 0 | 109.4 | S272 | E270-S272 PolarHBondContact O-N 3.41Š|
| 271 | P | 29.9 | Very low | 33.2 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 117.2 | 165.3 | 24.2 | -13.2 | 0 | 0 | 0 | 108.1 | Y269 | Y269-P271 WeakPolarHBondContact O-CD 3.27Š|
| 272 | S | 28.9 | Very low | 32.8 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 55% | 0.552 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -52 | 134 | -177.4 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | E270 S274 | E270-S272 PolarHBondContact O-N 3.41Å; S272-S274 PolarHBondContact O-N 2.83Å; S272-S274 PolarHBondContact OG-OG 3.33Å |
| 273 | I | 31.1 | Very low | 32.2 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 93% | 0.933 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 67.1 | 169.7 | -57.9 | 171 | 0 | 0 | 0 | 108.2 | ||
| 274 | S | 32.6 | Very low | 32.1 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 52% | 0.524 | 79% | 0.789 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.3 | -16.3 | 178 | 57 | 0 | 0 | 0 | 0 | 114.1 | S272 | S272-S274 PolarHBondContact O-N 2.83Å; S272-S274 PolarHBondContact OG-OG 3.33Å |
| 275 | D | 31.5 | Very low | 32 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -107.1 | 2.8 | -163.7 | -65.1 | 3 | 0 | 0 | 0 | 114.7 | ||
| 276 | I | 35.3 | Very low | 31.8 | Very low | 167 Ų | 167 | 148 Ų | 148 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -117.8 | -5.5 | -170.7 | -58.4 | 178 | 0 | 0 | 0 | 113.2 | ||
| 277 | V | 29.9 | Very low | 31.8 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -118.4 | 89.2 | 178.8 | -173.4 | 0 | 0 | 0 | 0 | 109 | S279 | V277-S279 PolarHBondContact O-N 2.79Š| ||
| 278 | T | 30.6 | Very low | 31.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -61.9 | 124.7 | 164.9 | 42.9 | 0 | 0 | 0 | 0 | 108.9 | H280 | T278-H280 VanDerWaalsContact C-N 3.27Å; T278-H280 PolarHBondContact O-N 2.81Å | ||
| 279 | S | 29.7 | Very low | 31.8 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -69.1 | 53.5 | -169.2 | 56.8 | 0 | 0 | 0 | 0 | 115.5 | V277 | V277-S279 PolarHBondContact O-N 2.79Š|
| 280 | H | 33.2 | Very low | 31.9 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -126.8 | -0.4 | -176.7 | -142.8 | -68.3 | 0 | 0 | 0 | 117.2 | T278 | T278-H280 VanDerWaalsContact C-N 3.27Å; T278-H280 PolarHBondContact O-N 2.81Å |
| 281 | D | 35.3 | Very low | 32.1 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -126.6 | 18.3 | -173.2 | -66.2 | -33.3 | 0 | 0 | 0 | 115.2 | ||
| 282 | L | 34.7 | Very low | 32.2 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | -120 | 69.8 | 178.3 | -67 | 174 | 0 | 0 | 0 | 111.4 | ||||
| 283 | A | 33.6 | Very low | 32.2 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -143.8 | 78.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 284 | D | 35.4 | Very low | 32.2 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 91% | 0.914 | 74% | 0.743 | S | S | * | * | trans | -173 | 103.9 | 145.9 | -94.9 | -20.2 | 0 | 0 | 0 | 108.9 | ||||
| 285 | E | 32.4 | Very low | 32.2 | Very low | 173 Ų | 173 | 126.1 Ų | 126.1 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | -76.8 | 160.6 | 174.3 | -73.7 | -169.9 | 138.9 | 0 | 0 | 112 | ||||
| 286 | N | 30.2 | Very low | 32.2 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | 99.9 | 80.9 | 161.1 | -56 | -39.1 | 0 | 0 | 0 | 117.6 | ||||
| 287 | S | 30.6 | Very low | 32.1 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | 179.8 | 114.6 | 131.6 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | S289 | S287-S289 VanDerWaalsContact C-N 3.35Å; S287-S289 PolarHBondContact O-N 3.05Å | ||
| 288 | G | 30.1 | Very low | 32.5 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 99% | 0.99 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 44.2 | 9 | 136.9 | 0 | 0 | 0 | 0 | 0 | 125 | ||
| 289 | S | 32.2 | Very low | 33 | Very low | 77 Ų | 77 | 118.4 Ų | 118.4 | 54% | 0.538 | 69% | 0.685 | S | S | . | * | trans | -117.9 | 24.2 | -167.3 | -172.8 | 0 | 0 | 0 | 0 | 116.2 | S287 N291 | S287-S289 VanDerWaalsContact C-N 3.35Å; S287-S289 PolarHBondContact O-N 3.05Å; S289-N291 PolarHBondContact O-N 3.14Å | ||
| 290 | S | 32.5 | Very low | 33.4 | Very low | 87 Ų | 87 | 114.9 Ų | 114.9 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.8 | -22.1 | -172.4 | 52 | 0 | 0 | 0 | 0 | 115.6 | ||
| 291 | N | 34 | Very low | 34.1 | Very low | 141 Ų | 141 | 109.1 Ų | 109.1 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -85.1 | -19.9 | -175.5 | -74 | -17.1 | 0 | 0 | 0 | 115 | S289 | S289-N291 PolarHBondContact O-N 3.14Å |
| 292 | Q | 32.1 | Very low | 35 | Very low | 143 Ų | 143 | 105 Ų | 105 | 67% | 0.668 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -81.2 | -33.4 | 175.8 | -88.4 | 175.8 | -11.9 | 0 | 0 | 112.5 | N294 S295 L296 | Q292-N294 VanDerWaalsContact C-N 3.32Å; Q292-N294 PolarHBondContact O-N 3.44Å; Q292-S295 PolarHBondContact O-N 2.83Å; Q292-L296 WeakPolarHBondContact O-CB 3.32Å; Q292-L296 WeakPolarHBondContact O-CD1 3.23Å; Q292-L296 PolarHBondContact O-N 3.2Å |
| 293 | A | 28.7 | Very low | 36 | Very low | 59 Ų | 59 | 98.9 Ų | 98.9 | 49% | 0.488 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.8 | -32.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L296 Y297 | A293-L296 VanDerWaalsContact O-CB 3.29Å; A293-L296 WeakPolarHBondContact O-CB 3.47Å; A293-L296 PolarHBondContact O-N 3.35Å; A293-Y297 PolarHBondContact O-N 3.38Å |
| 294 | N | 31.7 | Very low | 37.5 | Very low | 117 Ų | 117 | 97.1 Ų | 97.1 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76.7 | -36 | 179.6 | -74.7 | -12 | 0 | 0 | 0 | 113.5 | Q292 L296 Y297 V298 | Q292-N294 VanDerWaalsContact C-N 3.32Å; Q292-N294 PolarHBondContact O-N 3.44Å; N294-L296 PolarHBondContact O-N 3.02Å; N294-Y297 PolarHBondContact O-N 3.46Å; N294-V298 WeakPolarHBondContact O-CG2 3.37Å |
| 295 | S | 32.5 | Very low | 39.3 | Very low | 81 Ų | 81 | 89 Ų | 89 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60 | -30.3 | 170.5 | 172.4 | 0 | 0 | 0 | 0 | 112 | Q292 | Q292-S295 PolarHBondContact O-N 2.83Å |
| 296 | L | 31.9 | Very low | 41.8 | Very low | 63 Ų | 63 | 81 Ų | 81 | 33% | 0.33 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -80.2 | -33.5 | -174.7 | -100.4 | 158.2 | 0 | 0 | 0 | 114.6 | Q292 A293 N294 V298 V534 | Q292-L296 WeakPolarHBondContact O-CB 3.32Å; Q292-L296 WeakPolarHBondContact O-CD1 3.23Å; Q292-L296 PolarHBondContact O-N 3.2Å; A293-L296 VanDerWaalsContact O-CB 3.29Å; A293-L296 WeakPolarHBondContact O-CB 3.47Å; A293-L296 PolarHBondContact O-N 3.35Å; N294-L296 PolarHBondContact O-N 3.02Å; L296-V298 VanDerWaalsContact C-N 3.28Å; L296-V534 HydrophobicContact CD1-CB 4.42Å; L296-V534 HydrophobicContact CD1-CG2 3.5Å; L296-V534 VanDerWaalsContact CD1-CG2 3.5Å; L296-V534 HydrophobicContact CD2-CB 3.25Å; L296-V534 HydrophobicContact CD2-CG1 4.42Å; L296-V534 HydrophobicContact CD2-CG2 3.29Å; L296-V534 HydrophobicContact CG-CB 4.46Å; L296-V534 HydrophobicContact CG-CG2 4.03Å |
| 297 | Y | 33.9 | Very low | 44.1 | Very low | 166 Ų | 166 | 76.8 Ų | 76.8 | 65% | 0.651 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.2 | -35.4 | 172.4 | -164.1 | -95.5 | 0 | 0 | 0 | 111.4 | A293 N294 M299 A300 T301 | A293-Y297 PolarHBondContact O-N 3.38Å; N294-Y297 PolarHBondContact O-N 3.46Å; Y297-M299 PolarHBondContact O-N 3.38Å; Y297-A300 PolarHBondContact O-N 2.98Å; Y297-T301 HydrophobicContact CD1-CG2 4.33Å; Y297-T301 HydrophobicContact CE1-CG2 4.11Å |
| 298 | V | 38.3 | Very low | 46.2 | Very low | 44 Ų | 44 | 74.6 Ų | 74.6 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70 | -25.8 | -175.3 | 174.2 | 0 | 0 | 0 | 0 | 113.9 | K258 N294 L296 T301 | K258-V298 HydrophobicContact CD-CG1 4.37Å; N294-V298 WeakPolarHBondContact O-CG2 3.37Å; L296-V298 VanDerWaalsContact C-N 3.28Å; V298-T301 PolarHBondContact O-OG1 2.86Å |
| 299 | M | 39.9 | Very low | 48.8 | Very low | 110 Ų | 110 | 70.1 Ų | 70.1 | 54% | 0.542 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -79.9 | -28 | 173.6 | -75.4 | -161.3 | -177.5 | 0 | 0 | 112.8 | Y297 T301 | Y297-M299 PolarHBondContact O-N 3.38Å; M299-T301 VanDerWaalsContact C-N 3.29Å; M299-T301 PolarHBondContact O-N 2.89Å |
| 300 | A | 39.2 | Very low | 51.3 | Low | 49 Ų | 49 | 69.3 Ų | 69.3 | 41% | 0.405 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.3 | -21.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y297 | Y297-A300 PolarHBondContact O-N 2.98Å |
| 301 | T | 47.1 | Very low | 53.4 | Low | 45 Ų | 45 | 69.6 Ų | 69.6 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -92.4 | -10.7 | 178.1 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | Y297 V298 M299 N303 | Y297-T301 HydrophobicContact CD1-CG2 4.33Å; Y297-T301 HydrophobicContact CE1-CG2 4.11Å; V298-T301 PolarHBondContact O-OG1 2.86Å; M299-T301 VanDerWaalsContact C-N 3.29Å; M299-T301 PolarHBondContact O-N 2.89Å; T301-N303 PolarHBondContact O-N 2.93Å |
| 302 | K | 53.9 | Low | 55.5 | Low | 63 Ų | 63 | 66.2 Ų | 66.2 | 27% | 0.274 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -72 | 125.4 | 177.8 | -78.1 | -173.6 | 177.9 | -161.2 | 0 | 110.9 | K258 L304 | K258-K302 HydrophobicContact CG-CG 4.17Å; K302-L304 WeakPolarHBondContact O-CD1 3.16Å; K302-L304 PolarHBondContact O-N 2.88Å; K302-L304 VanDerWaalsContact O-N 3.11Å |
| 303 | N | 56.8 | Low | 57.8 | Low | 41 Ų | 41 | 61.2 Ų | 61.2 | 22% | 0.219 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 101.7 | 166.2 | -78.6 | -52.6 | 0 | 0 | 0 | 108 | G256 Y257 T301 K308 | G256-N303 VanDerWaalsContact CA-O 3.31Å; G256-N303 WeakPolarHBondContact CA-O 3.45Å; Y257-N303 HydrophobicContact CD1-CB 4.35Å; Y257-N303 HydrophobicContact CE1-CB 3.68Å; Y257-N303 HydrophobicContact CE2-CB 4.44Å; Y257-N303 PolarHBondContact O-N 2.9Å; Y257-N303 PolarHBondContact OH-ND2 2.97Å; T301-N303 PolarHBondContact O-N 2.93Å; N303-K308 PolarHBondContact OD1-NZ 2.85Å |
| 304 | L | 64.6 | Low | 60.5 | Low | 52 Ų | 52 | 58.4 Ų | 58.4 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.4 | -171.3 | -68.3 | 110.7 | 0 | 0 | 0 | 113.4 | K302 M516 | K302-L304 WeakPolarHBondContact O-CD1 3.16Å; K302-L304 PolarHBondContact O-N 2.88Å; K302-L304 VanDerWaalsContact O-N 3.11Å; L304-M516 HydrophobicContact CD1-CE 3.99Å; L304-M516 HydrophobicContact CD1-SD 3.98Å; L304-M516 HydrophobicContact CD2-SD 4.38Å |
| 305 | G | 73.7 | Confident | 63.2 | Low | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | trans | 91.5 | 151 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | R253 T255 T307 K308 L309 | R253-G305 WeakPolarHBondContact O-CA 3.37Å; T255-G305 WeakPolarHBondContact O-CA 3.42Å; T255-G305 PolarHBondContact O-N 2.91Å; G305-T307 PolarHBondContact O-N 2.85Å; G305-K308 PolarHBondContact O-N 2.85Å; G305-L309 PolarHBondContact O-N 2.87Å | ||
| 306 | I | 83.6 | Confident | 65.8 | Low | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -32 | 175.3 | -170.6 | 57.5 | 0 | 0 | 0 | 113 | L32 F50 L252 R253 K308 L309 I310 F315 A318 | L32-I306 HydrophobicContact CD1-CD1 4.38Å; L32-I306 HydrophobicContact CD2-CD1 4.07Å; L32-I306 HydrophobicContact CD2-CG1 4.33Å; F50-I306 HydrophobicContact CE1-CD1 3.97Å; F50-I306 HydrophobicContact CZ-CB 4.2Å; F50-I306 HydrophobicContact CZ-CD1 4.22Å; L252-I306 HydrophobicContact CB-CB 4.02Å; L252-I306 HydrophobicContact CB-CG2 3.74Å; L252-I306 WeakPolarHBondContact O-CB 3.42Å; L252-I306 PolarHBondContact O-N 2.78Å; R253-I306 HydrophobicContact CG-CG2 4.3Å; I306-K308 VanDerWaalsContact C-N 3.31Å; I306-K308 PolarHBondContact O-N 3.1Å; I306-L309 HydrophobicContact CD1-CB 4.43Å; I306-L309 HydrophobicContact CD1-CD1 4.49Å; I306-L309 PolarHBondContact O-N 3.2Å; I306-L309 VanDerWaalsContact O-N 3.15Å; I306-I310 HydrophobicContact CD1-CG1 4.46Å; I306-I310 HydrophobicContact CG1-CD1 3.99Å; I306-I310 HydrophobicContact CG1-CG1 4.32Å; I306-I310 WeakPolarHBondContact O-CG1 3.2Å; I306-I310 PolarHBondContact O-N 3.01Å; I306-F315 HydrophobicContact CD1-CB 4.38Å; I306-F315 HydrophobicContact CD1-CD2 3.58Å; I306-F315 HydrophobicContact CD1-CE2 4.13Å; I306-F315 HydrophobicContact CD1-CG 4.14Å; I306-A318 HydrophobicContact CG1-CB 3.96Å |
| 307 | T | 78.9 | Confident | 68.5 | Low | 60 Ų | 60 | 48.8 Ų | 48.8 | 37% | 0.368 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | -178.2 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | G305 I310 S311 | G305-T307 PolarHBondContact O-N 2.85Å; T307-I310 PolarHBondContact O-N 3.47Å; T307-S311 PolarHBondContact O-N 3.26Å |
| 308 | K | 75.8 | Confident | 71.3 | Confident | 67 Ų | 67 | 42 Ų | 42 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 173.7 | -173.8 | 175.1 | -177.7 | 176.4 | 0 | 111.6 | N303 G305 I306 I310 S311 D312 | N303-K308 PolarHBondContact OD1-NZ 2.85Å; G305-K308 PolarHBondContact O-N 2.85Å; I306-K308 VanDerWaalsContact C-N 3.31Å; I306-K308 PolarHBondContact O-N 3.1Å; K308-I310 VanDerWaalsContact C-N 3.26Å; K308-I310 PolarHBondContact O-N 2.98Å; K308-S311 WeakPolarHBondContact CA-OG 3.35Å; K308-S311 PolarHBondContact O-N 3.45Å; K308-S311 PolarHBondContact O-OG 2.77Å; K308-D312 WeakPolarHBondContact O-CB 3.47Å; K308-D312 PolarHBondContact O-N 3.39Å |
| 309 | L | 83.3 | Confident | 73.9 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.7 | -30.2 | 177.7 | -64.8 | 172.6 | 0 | 0 | 0 | 112.7 | F50 Y257 G305 I306 G313 I314 F315 | F50-L309 HydrophobicContact CB-CD1 3.99Å; F50-L309 HydrophobicContact CD1-CD1 3.72Å; F50-L309 HydrophobicContact CD2-CD1 3.47Å; F50-L309 VanDerWaalsContact CD2-CD1 3.47Å; F50-L309 HydrophobicContact CE1-CD1 4Å; F50-L309 HydrophobicContact CE2-CD1 3.76Å; F50-L309 HydrophobicContact CG-CD1 3.44Å; F50-L309 VanDerWaalsContact CG-CD1 3.44Å; F50-L309 HydrophobicContact CZ-CD1 4.02Å; Y257-L309 HydrophobicContact CE1-CD2 4.01Å; G305-L309 PolarHBondContact O-N 2.87Å; I306-L309 HydrophobicContact CD1-CB 4.43Å; I306-L309 HydrophobicContact CD1-CD1 4.49Å; I306-L309 PolarHBondContact O-N 3.2Å; I306-L309 VanDerWaalsContact O-N 3.15Å; L309-G313 PolarHBondContact O-N 2.85Å; L309-I314 HydrophobicContact CB-CB 4.42Å; L309-I314 HydrophobicContact CD2-CB 4.41Å; L309-I314 HydrophobicContact CD2-CD1 3.61Å; L309-I314 HydrophobicContact CD2-CG2 4.42Å; L309-I314 WeakPolarHBondContact O-CB 3.1Å; L309-I314 PolarHBondContact O-N 3.37Å; L309-F315 HydrophobicContact CB-CD2 3.91Å; L309-F315 HydrophobicContact CD1-CD2 4.17Å; L309-F315 HydrophobicContact CD1-CE2 4.05Å; L309-F315 PolarHBondContact O-N 3.37Å; L309-F315 VanDerWaalsContact O-N 3.16Å |
| 310 | I | 85.3 | Confident | 76.4 | Confident | 61 Ų | 61 | 35 Ų | 35 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -73.6 | -43.1 | 172.4 | -65.8 | 167.9 | 0 | 0 | 0 | 111 | I306 T307 K308 D312 G313 F315 A318 | I306-I310 HydrophobicContact CD1-CG1 4.46Å; I306-I310 HydrophobicContact CG1-CD1 3.99Å; I306-I310 HydrophobicContact CG1-CG1 4.32Å; I306-I310 WeakPolarHBondContact O-CG1 3.2Å; I306-I310 PolarHBondContact O-N 3.01Å; T307-I310 PolarHBondContact O-N 3.47Å; K308-I310 VanDerWaalsContact C-N 3.26Å; K308-I310 PolarHBondContact O-N 2.98Å; I310-D312 VanDerWaalsContact C-N 3.29Å; I310-D312 PolarHBondContact O-N 3.42Å; I310-G313 PolarHBondContact O-N 2.87Å; I310-G313 VanDerWaalsContact O-N 3.07Å; I310-F315 WeakPolarHBondContact CA-O 3.12Å; I310-F315 HydrophobicContact CG1-CB 4.06Å; I310-A318 HydrophobicContact CD1-CB 3.71Å |
| 311 | S | 76.7 | Confident | 78.9 | Confident | 93 Ų | 93 | 32.9 Ų | 32.9 | 65% | 0.65 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -63.5 | -36.3 | 177.4 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | T307 K308 G313 | T307-S311 PolarHBondContact O-N 3.26Å; K308-S311 WeakPolarHBondContact CA-OG 3.35Å; K308-S311 PolarHBondContact O-N 3.45Å; K308-S311 PolarHBondContact O-OG 2.77Å; S311-G313 PolarHBondContact O-N 3.02Å |
| 312 | D | 78.5 | Confident | 81 | Confident | 69 Ų | 69 | 30.8 Ų | 30.8 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -7.6 | 176.5 | -68.2 | 3.6 | 0 | 0 | 0 | 112.4 | R46 K308 I310 I314 | R46-D312 IonicContact CZ-OD2 3.25Å; R46-D312 IonicContact NH1-OD2 3.57Å; R46-D312 IonicContact NH2-OD2 2.73Å; R46-D312 PolarHBondContact NH2-OD2 3.37Å; K308-D312 WeakPolarHBondContact O-CB 3.47Å; K308-D312 PolarHBondContact O-N 3.39Å; I310-D312 VanDerWaalsContact C-N 3.29Å; I310-D312 PolarHBondContact O-N 3.42Å; D312-I314 VanDerWaalsContact C-N 3.3Å; D312-I314 HydrophobicContact CB-CD1 4.22Å; D312-I314 HydrophobicContact CB-CG1 4.24Å; D312-I314 PolarHBondContact O-N 2.86Å |
| 313 | G | 80 | Confident | 82.6 | Confident | 39 Ų | 39 | 28 Ų | 28 | 40% | 0.402 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 12.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | L309 I310 S311 | L309-G313 PolarHBondContact O-N 2.85Å; I310-G313 PolarHBondContact O-N 2.87Å; I310-G313 VanDerWaalsContact O-N 3.07Å; S311-G313 PolarHBondContact O-N 3.02Å |
| 314 | I | 85.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -71.1 | -51.4 | 177.2 | -67.2 | 172.7 | 0 | 0 | 0 | 109.7 | D43 R46 R47 L309 D312 | D43-I314 HydrophobicContact CB-CG1 4.34Å; R46-I314 HydrophobicContact CB-CD1 4.08Å; R46-I314 VanDerWaalsContact NE-CD1 3.28Å; R47-I314 HydrophobicContact CG-CG2 3.27Å; R47-I314 PolarHBondContact NE-O 3.4Å; R47-I314 PolarHBondContact NH2-O 3.04Å; L309-I314 HydrophobicContact CB-CB 4.42Å; L309-I314 HydrophobicContact CD2-CB 4.41Å; L309-I314 HydrophobicContact CD2-CD1 3.61Å; L309-I314 HydrophobicContact CD2-CG2 4.42Å; L309-I314 WeakPolarHBondContact O-CB 3.1Å; L309-I314 PolarHBondContact O-N 3.37Å; D312-I314 VanDerWaalsContact C-N 3.3Å; D312-I314 HydrophobicContact CB-CD1 4.22Å; D312-I314 HydrophobicContact CB-CG1 4.24Å; D312-I314 PolarHBondContact O-N 2.86Å |
| 315 | F | 89 | Confident | 84.8 | Confident | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -100.8 | 143.3 | 165.9 | -71.5 | -71.7 | 0 | 0 | 0 | 109.1 | L32 Y34 R47 F50 L51 V155 I306 L309 I310 | L32-F315 HydrophobicContact CB-CD1 3.92Å; L32-F315 HydrophobicContact CB-CE1 4Å; L32-F315 HydrophobicContact CD1-CD1 4.45Å; L32-F315 HydrophobicContact CD1-CE1 4Å; L32-F315 HydrophobicContact CD1-CE2 4.37Å; L32-F315 HydrophobicContact CD1-CZ 3.96Å; Y34-F315 HydrophobicContact CD1-CD1 4.11Å; Y34-F315 AromaticContact CD1-CE1 3.99Å; Y34-F315 HydrophobicContact CD1-CE1 3.99Å; R47-F315 HydrophobicContact CB-CZ 4.27Å; R47-F315 HydrophobicContact CG-CE1 4.27Å; R47-F315 HydrophobicContact CG-CE2 4.19Å; R47-F315 HydrophobicContact CG-CZ 3.89Å; F50-F315 AromaticContact CD1-CE2 3.83Å; F50-F315 HydrophobicContact CD1-CE2 3.83Å; F50-F315 HydrophobicContact CD1-CZ 4.35Å; F50-F315 HydrophobicContact CE1-CE2 4.24Å; L51-F315 HydrophobicContact CD2-CZ 4.33Å; V155-F315 HydrophobicContact CG2-CE1 4.46Å; I306-F315 HydrophobicContact CD1-CB 4.38Å; I306-F315 HydrophobicContact CD1-CD2 3.58Å; I306-F315 HydrophobicContact CD1-CE2 4.13Å; I306-F315 HydrophobicContact CD1-CG 4.14Å; L309-F315 HydrophobicContact CB-CD2 3.91Å; L309-F315 HydrophobicContact CD1-CD2 4.17Å; L309-F315 HydrophobicContact CD1-CE2 4.05Å; L309-F315 PolarHBondContact O-N 3.37Å; L309-F315 VanDerWaalsContact O-N 3.16Å; I310-F315 WeakPolarHBondContact CA-O 3.12Å; I310-F315 HydrophobicContact CG1-CB 4.06Å |
| 316 | S | 86.4 | Confident | 84.9 | Confident | 55 Ų | 55 | 30.3 Ų | 30.3 | 39% | 0.385 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -87.7 | -32.6 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | A33 | A33-S316 WeakPolarHBondContact O-CA 3.3Å; A33-S316 WeakPolarHBondContact O-CB 3.13Å; A33-S316 PolarHBondContact O-N 3.03Å |
| 317 | A | 89.2 | Confident | 84.5 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 154.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L32 A33 Y319 F771 | L32-A317 WeakPolarHBondContact CA-O 3.21Å; A33-A317 PolarHBondContact N-O 3.3Å; A33-A317 PolarHBondContact O-N 3.4Å; A317-Y319 HydrophobicContact CB-CD1 3.86Å; A317-Y319 HydrophobicContact CB-CE1 3.78Å; A317-F771 HydrophobicContact CB-CD2 4.13Å; A317-F771 HydrophobicContact CB-CE2 3.9Å |
| 318 | A | 91.8 | Very high | 84.3 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 123.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | Y30 V31 L32 I306 I310 | Y30-A318 HydrophobicContact CE1-CB 3.87Å; V31-A318 WeakPolarHBondContact O-CA 3.4Å; L32-A318 HydrophobicContact CD2-CB 3.5Å; L32-A318 VanDerWaalsContact CD2-CB 3.5Å; I306-A318 HydrophobicContact CG1-CB 3.96Å; I310-A318 HydrophobicContact CD1-CB 3.71Å |
| 319 | Y | 92.6 | Very high | 84.1 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 151 | -177.5 | 52.1 | -84.8 | 0 | 0 | 0 | 112.2 | V31 A33 A317 L321 C767 D770 F771 | V31-Y319 HydrophobicContact CB-CE2 4.42Å; V31-Y319 PolarHBondContact N-O 2.79Å; V31-Y319 PolarHBondContact O-N 3.44Å; A33-Y319 HydrophobicContact CB-CE1 4.49Å; A317-Y319 HydrophobicContact CB-CD1 3.86Å; A317-Y319 HydrophobicContact CB-CE1 3.78Å; Y319-L321 HydrophobicContact CE2-CD2 4.18Å; Y319-C767 PolarHBondContact OH-O 2.85Å; Y319-D770 HydrophobicContact CD2-CB 4.17Å; Y319-D770 HydrophobicContact CE2-CB 3.64Å; Y319-F771 HydrophobicContact CE1-CD2 4.13Å; Y319-F771 WeakPolarHBondContact OH-CA 3.4Å; Y319-F771 VanDerWaalsContact OH-CB 3.29Å; Y319-F771 WeakPolarHBondContact OH-CB 3.46Å; Y319-F771 PolarHBondContact OH-N 3.01Å |
| 320 | P | 93.7 | Very high | 83.3 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 149 | 166.9 | 33.4 | -36.5 | 0 | 0 | 0 | 111.1 | Y30 A245 R830 V832 | Y30-P320 HydrophobicContact CD2-CB 4.26Å; A245-P320 HydrophobicContact CB-CB 3.8Å; A245-P320 HydrophobicContact CB-CG 4.4Å; P320-R830 WeakPolarHBondContact CD-O 3.38Å; P320-R830 HydrophobicContact CG-CB 4.03Å; P320-R830 HydrophobicContact CG-CG 4.17Å; P320-R830 VanDerWaalsContact CG-O 3.32Å; P320-R830 WeakPolarHBondContact CG-O 3.21Å; P320-V832 HydrophobicContact CB-CG2 4.39Å; P320-V832 HydrophobicContact CG-CG2 3.5Å; P320-V832 VanDerWaalsContact CG-CG2 3.5Å |
| 321 | L | 91 | Very high | 82.4 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 143.8 | 178.2 | -70.2 | 172.4 | 0 | 0 | 0 | 112.2 | L19 T28 V31 Y319 D770 R830 | L19-L321 HydrophobicContact CD2-CB 4.49Å; T28-L321 HydrophobicContact CG2-CD1 3.6Å; V31-L321 HydrophobicContact CG2-CD1 3.65Å; V31-L321 HydrophobicContact CG2-CD2 3.85Å; V31-L321 HydrophobicContact CG2-CG 3.61Å; Y319-L321 HydrophobicContact CE2-CD2 4.18Å; L321-D770 HydrophobicContact CD2-CB 4.48Å; L321-R830 PolarHBondContact O-NH1 3.09Å |
| 322 | H | 90.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 153.5 | 163.1 | -79.9 | -76.2 | 0 | 0 | 0 | 111.4 | Y383 L766 D770 Y828 R830 | H322-Y383 AromaticContact ND1-CE1 3.61Å; H322-Y383 AromaticContact ND1-CZ 3.63Å; H322-Y383 PolarHBondContact ND1-OH 3.44Å; H322-L766 WeakPolarHBondContact O-CD2 3.29Å; H322-D770 WeakPolarHBondContact CB-OD2 3.33Å; H322-D770 IonicContact CD2-OD1 3.57Å; H322-D770 IonicContact CD2-OD2 2.74Å; H322-D770 PolarHBondContact N-OD2 2.96Å; H322-Y828 PolarHBondContact NE2-O 3.46Å; H322-R830 VanDerWaalsContact CE1-CB 3.48Å; H322-R830 WeakPolarHBondContact CE1-CB 3.09Å; H322-R830 WeakPolarHBondContact NE2-CA 3.25Å; H322-R830 WeakPolarHBondContact NE2-CB 3.09Å; H322-R830 PolarHBondContact NE2-N 3.34Å |
| 323 | E | 88.2 | Confident | 80.9 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 152 | 160.5 | -65.3 | 174.5 | -180 | 0 | 0 | 111.1 | L19 N356 N357 R358 Y383 | L19-E323 HydrophobicContact CD1-CG 4.45Å; E323-N356 WeakPolarHBondContact OE2-CB 3.28Å; E323-N357 PolarHBondContact OE1-ND2 2.98Å; E323-N357 WeakPolarHBondContact OE2-CA 3.46Å; E323-N357 VanDerWaalsContact OE2-CB 3.31Å; E323-N357 WeakPolarHBondContact OE2-CB 3.3Å; E323-N357 PolarHBondContact OE2-N 3.41Å; E323-R358 HydrophobicContact CB-CB 4.06Å; E323-R358 WeakPolarHBondContact O-CD 3.37Å; E323-R358 PolarHBondContact O-NH1 2.88Å; E323-R358 PolarHBondContact OE2-N 3.11Å; E323-R358 VanDerWaalsContact OE2-N 3.15Å; E323-Y383 HydrophobicContact CB-CE2 4.46Å; E323-Y383 HydrophobicContact CG-CE2 4.18Å; E323-Y383 PolarHBondContact N-OH 3.37Å |
| 324 | P | 83.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 143.1 | -176.9 | 26.5 | -35.9 | 0 | 0 | 0 | 112.2 | N16 L328 N356 | N16-P324 HydrophobicContact CB-CG 3.91Å; P324-L328 HydrophobicContact CB-CB 4.43Å; P324-L328 HydrophobicContact CB-CD2 4.25Å; P324-N356 PolarHBondContact O-ND2 3.38Å |
| 325 | T | 83.4 | Confident | 78.2 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 17% | 0.172 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 164.9 | 171.9 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | K327 L328 S329 | T325-K327 PolarHBondContact O-N 3.27Å; T325-L328 PolarHBondContact O-N 2.75Å; T325-L328 PolarHBondContact OG1-N 3.09Å; T325-S329 PolarHBondContact O-N 3.44Å; T325-S329 PolarHBondContact O-OG 3.14Å |
| 326 | K | 76.9 | Confident | 76.3 | Confident | 112 Ų | 112 | 37.8 Ų | 37.8 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55.5 | -37.2 | 175.4 | -172.6 | 180 | -179.5 | -177 | 0 | 112.9 | S329 L330 I359 | K326-S329 WeakPolarHBondContact CA-OG 3.41Å; K326-S329 PolarHBondContact O-OG 3.37Å; K326-S329 VanDerWaalsContact O-OG 3.06Å; K326-L330 VanDerWaalsContact O-CG 3.28Å; K326-L330 WeakPolarHBondContact O-CG 3.33Å; K326-L330 PolarHBondContact O-N 2.99Å; K326-I359 HydrophobicContact CB-CD1 4.24Å; K326-I359 HydrophobicContact CB-CG1 4.29Å |
| 327 | K | 74.8 | Confident | 74.5 | Confident | 106 Ų | 106 | 41.2 Ų | 41.2 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 177.8 | -176.2 | -176.6 | 175.3 | -170.1 | 0 | 110.8 | D142 T325 L330 I331 | D142-K327 IonicContact OD2-NZ 2.9Å; D142-K327 PolarHBondContact OD2-NZ 2.99Å; D142-K327 VanDerWaalsContact OD2-NZ 3.14Å; T325-K327 PolarHBondContact O-N 3.27Å; K327-L330 PolarHBondContact O-N 3.11Å; K327-I331 HydrophobicContact CG-CD1 4.35Å; K327-I331 WeakPolarHBondContact O-CG1 3.34Å; K327-I331 PolarHBondContact O-N 3.35Å |
| 328 | L | 74.7 | Confident | 72.2 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.5 | -41.3 | -179.2 | -168.8 | 63.7 | 0 | 0 | 0 | 111.5 | P324 T325 L330 I331 T332 I765 L766 A769 | P324-L328 HydrophobicContact CB-CB 4.43Å; P324-L328 HydrophobicContact CB-CD2 4.25Å; T325-L328 PolarHBondContact O-N 2.75Å; T325-L328 PolarHBondContact OG1-N 3.09Å; L328-L330 VanDerWaalsContact C-N 3.26Å; L328-L330 PolarHBondContact O-N 3.02Å; L328-I331 WeakPolarHBondContact O-CB 3.09Å; L328-I331 PolarHBondContact O-N 3.46Å; L328-T332 PolarHBondContact O-N 3.1Å; L328-T332 PolarHBondContact O-OG1 3.38Å; L328-I765 HydrophobicContact CD1-CG1 4.16Å; L328-I765 HydrophobicContact CD1-CG2 4.01Å; L328-L766 HydrophobicContact CD2-CB 4.3Å; L328-L766 HydrophobicContact CD2-CD1 3.54Å; L328-A769 HydrophobicContact CD2-CB 4.22Å |
| 329 | S | 70.4 | Confident | 69.5 | Low | 5 Ų | 5 | 51 Ų | 51 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -36.2 | 175.7 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | T325 K326 L333 | T325-S329 PolarHBondContact O-N 3.44Å; T325-S329 PolarHBondContact O-OG 3.14Å; K326-S329 WeakPolarHBondContact CA-OG 3.41Å; K326-S329 PolarHBondContact O-OG 3.37Å; K326-S329 VanDerWaalsContact O-OG 3.06Å; S329-L333 VanDerWaalsContact O-CB 3.27Å; S329-L333 WeakPolarHBondContact O-CB 3.14Å; S329-L333 WeakPolarHBondContact O-CD1 3.38Å; S329-L333 WeakPolarHBondContact O-CG 3.45Å; S329-L333 PolarHBondContact O-N 2.97Å |
| 330 | L | 68.5 | Low | 66.7 | Low | 74 Ų | 74 | 56 Ų | 56 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 172 | -70.8 | -179.3 | 0 | 0 | 0 | 113 | K326 K327 L328 L333 Q334 T353 | K326-L330 VanDerWaalsContact O-CG 3.28Å; K326-L330 WeakPolarHBondContact O-CG 3.33Å; K326-L330 PolarHBondContact O-N 2.99Å; K327-L330 PolarHBondContact O-N 3.11Å; L328-L330 VanDerWaalsContact C-N 3.26Å; L328-L330 PolarHBondContact O-N 3.02Å; L330-L333 PolarHBondContact O-N 3.01Å; L330-Q334 WeakPolarHBondContact O-CB 3.34Å; L330-Q334 VanDerWaalsContact O-CG 3.26Å; L330-Q334 WeakPolarHBondContact O-CG 3.3Å; L330-Q334 PolarHBondContact O-N 3.44Å; L330-T353 HydrophobicContact CD2-CG2 3.85Å |
| 331 | I | 64.9 | Low | 64 | Low | 24 Ų | 24 | 60.9 Ų | 60.9 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 176.2 | -67.2 | 164.5 | 0 | 0 | 0 | 110.1 | K327 L328 L333 Q334 Q335 I765 | K327-I331 HydrophobicContact CG-CD1 4.35Å; K327-I331 WeakPolarHBondContact O-CG1 3.34Å; K327-I331 PolarHBondContact O-N 3.35Å; L328-I331 WeakPolarHBondContact O-CB 3.09Å; L328-I331 PolarHBondContact O-N 3.46Å; I331-L333 VanDerWaalsContact C-N 3.34Å; I331-L333 PolarHBondContact O-N 3.39Å; I331-Q334 PolarHBondContact O-N 3.1Å; I331-Q335 WeakPolarHBondContact O-CG 3.37Å; I331-Q335 PolarHBondContact O-N 3.27Å; I331-I765 HydrophobicContact CG2-CD1 4.2Å |
| 332 | T | 60.9 | Low | 61.2 | Low | 9 Ų | 9 | 65.8 Ų | 65.8 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 176.9 | -46.4 | 0 | 0 | 0 | 0 | 111.5 | L328 Q335 N336 | L328-T332 PolarHBondContact O-N 3.1Å; L328-T332 PolarHBondContact O-OG1 3.38Å; T332-Q335 PolarHBondContact O-N 3.06Å; T332-N336 PolarHBondContact O-N 2.87Å; T332-N336 VanDerWaalsContact O-N 3.12Å |
| 333 | L | 62.5 | Low | 58.6 | Low | 65 Ų | 65 | 77 Ų | 77 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 175.6 | -77.1 | 166 | 0 | 0 | 0 | 112.4 | S329 L330 I331 Q335 N336 I337 | S329-L333 VanDerWaalsContact O-CB 3.27Å; S329-L333 WeakPolarHBondContact O-CB 3.14Å; S329-L333 WeakPolarHBondContact O-CD1 3.38Å; S329-L333 WeakPolarHBondContact O-CG 3.45Å; S329-L333 PolarHBondContact O-N 2.97Å; L330-L333 PolarHBondContact O-N 3.01Å; I331-L333 VanDerWaalsContact C-N 3.34Å; I331-L333 PolarHBondContact O-N 3.39Å; L333-Q335 VanDerWaalsContact C-N 3.3Å; L333-Q335 PolarHBondContact O-N 3.49Å; L333-N336 PolarHBondContact O-N 2.66Å; L333-I337 WeakPolarHBondContact O-CG1 3.44Å; L333-I337 PolarHBondContact O-N 3.32Å |
| 334 | Q | 57.1 | Low | 56.1 | Low | 122 Ų | 122 | 79.7 Ų | 79.7 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64 | -35.7 | 175.4 | -78.2 | 177.3 | -23.5 | 0 | 0 | 111.9 | L330 I331 I337 I338 | L330-Q334 WeakPolarHBondContact O-CB 3.34Å; L330-Q334 VanDerWaalsContact O-CG 3.26Å; L330-Q334 WeakPolarHBondContact O-CG 3.3Å; L330-Q334 PolarHBondContact O-N 3.44Å; I331-Q334 PolarHBondContact O-N 3.1Å; Q334-I337 PolarHBondContact O-N 3Å; Q334-I338 WeakPolarHBondContact O-CG1 3.43Å |
| 335 | Q | 52 | Low | 53.8 | Low | 46 Ų | 46 | 86 Ų | 86 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 176.9 | -73.5 | 171.9 | -33.2 | 0 | 0 | 112.2 | I331 T332 L333 I337 I338 T339 | I331-Q335 WeakPolarHBondContact O-CG 3.37Å; I331-Q335 PolarHBondContact O-N 3.27Å; T332-Q335 PolarHBondContact O-N 3.06Å; L333-Q335 VanDerWaalsContact C-N 3.3Å; L333-Q335 PolarHBondContact O-N 3.49Å; Q335-I337 PolarHBondContact O-N 3.45Å; Q335-I338 PolarHBondContact O-N 3.42Å; Q335-T339 PolarHBondContact O-N 2.83Å |
| 336 | N | 50.4 | Low | 51.3 | Low | 94 Ų | 94 | 90 Ų | 90 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -21.6 | 176.1 | -72.9 | -6.9 | 0 | 0 | 0 | 113.4 | T332 L333 | T332-N336 PolarHBondContact O-N 2.87Å; T332-N336 VanDerWaalsContact O-N 3.12Å; L333-N336 PolarHBondContact O-N 2.66Å |
| 337 | I | 47.8 | Very low | 49.2 | Very low | 126 Ų | 126 | 88 Ų | 88 | 65% | 0.646 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -79.4 | -24.4 | 175.4 | -62.8 | 165.8 | 0 | 0 | 0 | 111.5 | L333 Q334 Q335 | L333-I337 WeakPolarHBondContact O-CG1 3.44Å; L333-I337 PolarHBondContact O-N 3.32Å; Q334-I337 PolarHBondContact O-N 3Å; Q335-I337 PolarHBondContact O-N 3.45Å |
| 338 | I | 41.1 | Very low | 47.3 | Very low | 134 Ų | 134 | 88.2 Ų | 88.2 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -91.1 | -12.8 | -174.4 | -60.8 | 167.2 | 0 | 0 | 0 | 112 | Q334 Q335 P340 | Q334-I338 WeakPolarHBondContact O-CG1 3.43Å; Q335-I338 PolarHBondContact O-N 3.42Å; I338-P340 WeakPolarHBondContact O-CD 3.42Å |
| 339 | T | 34.7 | Very low | 45.4 | Very low | 97 Ų | 97 | 93.9 Ų | 93.9 | 60% | 0.595 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -96 | 97.2 | 166.4 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | Q335 S341 | Q335-T339 PolarHBondContact O-N 2.83Å; T339-S341 PolarHBondContact O-N 3.04Å |
| 340 | P | 33.8 | Very low | 43.7 | Very low | 111 Ų | 111 | 101.4 Ų | 101.4 | 72% | 0.721 | 61% | 0.609 | S | S | * | * | trans | -74.3 | 98.6 | 171.2 | 30.2 | -30.8 | 0 | 0 | 0 | 108 | I338 C342 | I338-P340 WeakPolarHBondContact O-CD 3.42Å; P340-C342 PolarHBondContact O-N 3.35Å | ||
| 341 | S | 37.1 | Very low | 42.4 | Very low | 104 Ų | 104 | 101.1 Ų | 101.1 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | trans | -63 | 105.6 | 156.4 | 58.7 | 0 | 0 | 0 | 0 | 106.9 | T339 | T339-S341 PolarHBondContact O-N 3.04Š| ||
| 342 | C | 32.6 | Very low | 41.7 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 73% | 0.73 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -57.5 | 138.3 | 163.5 | -65.4 | 0 | 0 | 0 | 0 | 107.6 | P340 | P340-C342 PolarHBondContact O-N 3.35Š|
| 343 | Y | 34.5 | Very low | 41.4 | Very low | 235 Ų | 235 | 108.3 Ų | 108.3 | 92% | 0.922 | 67% | 0.665 | S | S | * | * | trans | 90.4 | 82.1 | -170.9 | -58.3 | -78.1 | 0 | 0 | 0 | 116.2 | ||||
| 344 | G | 36 | Very low | 41.5 | Very low | 64 Ų | 64 | 107.4 Ų | 107.4 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | trans | 177.2 | 128.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 345 | P | 35.1 | Very low | 42.1 | Very low | 134 Ų | 134 | 105 Ų | 105 | 87% | 0.87 | 65% | 0.647 | S | S | * | * | trans | -67.7 | 137.6 | -176.8 | 27.8 | -31.1 | 0 | 0 | 0 | 110.7 | G347 | P345-G347 PolarHBondContact O-N 3.21Š| ||
| 346 | A | 31.1 | Very low | 43.7 | Very low | 110 Ų | 110 | 102.9 Ų | 102.9 | 91% | 0.909 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -58.5 | 119.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 347 | G | 33.3 | Very low | 45.4 | Very low | 70 Ų | 70 | 98.5 Ų | 98.5 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | trans | 156.6 | 78.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P345 | P345-G347 PolarHBondContact O-N 3.21Š| ||
| 348 | S | 34.2 | Very low | 47.4 | Very low | 112 Ų | 112 | 92.6 Ų | 92.6 | 78% | 0.783 | 58% | 0.583 | S | S | * | * | trans | -178.2 | 113.3 | 138.9 | 36.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 349 | T | 34.7 | Very low | 49.6 | Very low | 128 Ų | 128 | 87 Ų | 87 | 79% | 0.785 | 55% | 0.554 | S | S | * | * | trans | 16.3 | 114.4 | 149.6 | 54.2 | 0 | 0 | 0 | 0 | 117.5 | A351 | T349-A351 PolarHBondContact O-N 3.42Š| ||
| 350 | L | 35.5 | Very low | 52.1 | Low | 162 Ų | 162 | 82.4 Ų | 82.4 | 85% | 0.848 | 53% | 0.527 | S | S | * | . | trans | -21.9 | 102.3 | 162 | -164.6 | 81.3 | 0 | 0 | 0 | 111.7 | ||||
| 351 | A | 41.5 | Very low | 54.8 | Low | 69 Ų | 69 | 77.2 Ų | 77.2 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | trans | -53.7 | 125.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | T349 T353 | T349-A351 PolarHBondContact O-N 3.42Å; A351-T353 PolarHBondContact O-N 3.27Å | ||
| 352 | P | 50.4 | Low | 57.2 | Low | 118 Ų | 118 | 75.1 Ų | 75.1 | 77% | 0.766 | 47% | 0.471 | S | S | * | . | trans | -58 | 130 | 178.8 | 23.3 | -31 | 0 | 0 | 0 | 107.9 | E354 | P352-E354 PolarHBondContact O-N 3.45Š| ||
| 353 | T | 54.7 | Low | 59.8 | Low | 65 Ų | 65 | 77.1 Ų | 77.1 | 40% | 0.399 | 46% | 0.464 | S | S | . | . | trans | -39.5 | 117.7 | -178.4 | 52 | 0 | 0 | 0 | 0 | 110.8 | L330 A351 F355 | L330-T353 HydrophobicContact CD2-CG2 3.85Å; A351-T353 PolarHBondContact O-N 3.27Å; T353-F355 PolarHBondContact O-N 3.14Å | ||
| 354 | E | 62.9 | Low | 62.2 | Low | 47 Ų | 47 | 67.8 Ų | 67.8 | 22% | 0.22 | 43% | 0.427 | C | S | . | . | trans | -50.6 | 126 | -177.9 | -178.4 | 176.9 | -134.9 | 0 | 0 | 110.6 | S14 T15 P352 I359 | S14-E354 WeakPolarHBondContact CA-OE1 3.47Å; S14-E354 PolarHBondContact OG-OE2 3.37Å; T15-E354 WeakPolarHBondContact CA-OE1 3.44Å; T15-E354 WeakPolarHBondContact CB-OE1 3.47Å; T15-E354 PolarHBondContact N-OE1 2.89Å; T15-E354 PolarHBondContact OG1-OE1 2.92Å; P352-E354 PolarHBondContact O-N 3.45Å; E354-I359 WeakPolarHBondContact O-CD1 3.08Å | ||
| 355 | F | 71.4 | Confident | 64.8 | Low | 71 Ų | 71 | 64.7 Ų | 64.7 | 31% | 0.311 | 40% | 0.395 | S | S | . | . | trans | -98 | 100.4 | -178.8 | -167 | -98.2 | 0 | 0 | 0 | 109.6 | Y12 T353 I359 L360 Y364 | Y12-F355 AromaticContact CD1-CD1 3.49Å; Y12-F355 HydrophobicContact CD1-CD1 3.49Å; Y12-F355 VanDerWaalsContact CD1-CD1 3.49Å; Y12-F355 AromaticContact CD1-CE1 3.97Å; Y12-F355 HydrophobicContact CD1-CE1 3.97Å; Y12-F355 AromaticContact CE1-CD1 3.71Å; Y12-F355 HydrophobicContact CE1-CD1 3.71Å; Y12-F355 AromaticContact CE1-CE1 3.94Å; Y12-F355 HydrophobicContact CE1-CE1 3.94Å; Y12-F355 HydrophobicContact CG-CD1 4.14Å; Y12-F355 HydrophobicContact CG-CE1 4.36Å; T353-F355 PolarHBondContact O-N 3.14Å; F355-I359 HydrophobicContact CD2-CG2 4.05Å; F355-I359 HydrophobicContact CE2-CG2 4.01Å; F355-L360 HydrophobicContact CE1-CB 3.79Å; F355-L360 HydrophobicContact CE1-CD1 3.66Å; F355-L360 HydrophobicContact CE1-CG 4.26Å; F355-L360 HydrophobicContact CZ-CB 3.81Å; F355-L360 HydrophobicContact CZ-CD1 3.66Å; F355-L360 HydrophobicContact CZ-CG 4.35Å; F355-Y364 HydrophobicContact CZ-CE2 4.16Å | ||
| 356 | N | 84.2 | Confident | 67.3 | Low | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | trans | -105.2 | 172.2 | -177.3 | 69.3 | 20 | 0 | 0 | 0 | 113.3 | Y12 E323 P324 R358 I359 L360 | Y12-N356 CarbonylContact O-C 3.58Å; Y12-N356 VanDerWaalsContact O-CA 3.22Å; Y12-N356 WeakPolarHBondContact O-CA 3.42Å; E323-N356 WeakPolarHBondContact OE2-CB 3.28Å; P324-N356 PolarHBondContact O-ND2 3.38Å; N356-R358 VanDerWaalsContact C-N 3.31Å; N356-R358 PolarHBondContact O-N 2.99Å; N356-R358 PolarHBondContact OD1-N 3.11Å; N356-I359 PolarHBondContact O-N 3.29Å; N356-I359 VanDerWaalsContact OD1-CB 3.25Å; N356-I359 WeakPolarHBondContact OD1-CB 3.49Å; N356-I359 WeakPolarHBondContact OD1-CD1 3.24Å; N356-I359 WeakPolarHBondContact OD1-CG1 3.23Å; N356-I359 PolarHBondContact OD1-N 2.86Å; N356-L360 WeakPolarHBondContact O-CB 3.26Å; N356-L360 PolarHBondContact O-N 3.28Å | ||
| 357 | N | 86.2 | Confident | 69.9 | Low | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | -178.6 | -61.2 | -64.6 | 0 | 0 | 0 | 111.7 | S10 Y12 E323 L360 L361 Y383 | S10-N357 PolarHBondContact OG-OD1 3.33Å; Y12-N357 VanDerWaalsContact O-CG 3.3Å; Y12-N357 PolarHBondContact O-N 3.33Å; Y12-N357 PolarHBondContact O-ND2 3.4Å; Y12-N357 VanDerWaalsContact O-ND2 3.13Å; E323-N357 PolarHBondContact OE1-ND2 2.98Å; E323-N357 WeakPolarHBondContact OE2-CA 3.46Å; E323-N357 VanDerWaalsContact OE2-CB 3.31Å; E323-N357 WeakPolarHBondContact OE2-CB 3.3Å; E323-N357 PolarHBondContact OE2-N 3.41Å; N357-L360 WeakPolarHBondContact O-CB 3.27Å; N357-L360 PolarHBondContact O-N 2.81Å; N357-L361 WeakPolarHBondContact O-CB 3.44Å; N357-L361 WeakPolarHBondContact O-CG 3.36Å; N357-L361 PolarHBondContact O-N 3.41Å; N357-Y383 HydrophobicContact CB-CD2 3.82Å; N357-Y383 HydrophobicContact CB-CE2 4.25Å |
| 358 | R | 89.3 | Confident | 72.5 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 178.1 | -167.8 | -179.6 | -174.8 | 172.9 | 7.7 | 112 | E323 N356 L361 Q362 Y383 D770 M773 V825 | E323-R358 HydrophobicContact CB-CB 4.06Å; E323-R358 WeakPolarHBondContact O-CD 3.37Å; E323-R358 PolarHBondContact O-NH1 2.88Å; E323-R358 PolarHBondContact OE2-N 3.11Å; E323-R358 VanDerWaalsContact OE2-N 3.15Å; N356-R358 VanDerWaalsContact C-N 3.31Å; N356-R358 PolarHBondContact O-N 2.99Å; N356-R358 PolarHBondContact OD1-N 3.11Å; R358-L361 PolarHBondContact O-N 3.21Å; R358-Q362 VanDerWaalsContact O-CB 3.3Å; R358-Q362 WeakPolarHBondContact O-CB 3.04Å; R358-Q362 PolarHBondContact O-N 2.79Å; R358-Y383 HydrophobicContact CB-CE2 4.27Å; R358-D770 IonicContact NH1-OD1 3.37Å; R358-M773 VanDerWaalsContact NH2-CE 3.26Å; R358-V825 HydrophobicContact CG-CG1 4.05Å; R358-V825 PolarHBondContact NE-O 3.4Å; R358-V825 VanDerWaalsContact NE-O 3.1Å; R358-V825 PolarHBondContact NH2-O 3.27Å |
| 359 | I | 87.6 | Confident | 75 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 178.3 | -69.3 | 166 | 0 | 0 | 0 | 110.5 | K326 E354 F355 N356 Q362 R363 | K326-I359 HydrophobicContact CB-CD1 4.24Å; K326-I359 HydrophobicContact CB-CG1 4.29Å; E354-I359 WeakPolarHBondContact O-CD1 3.08Å; F355-I359 HydrophobicContact CD2-CG2 4.05Å; F355-I359 HydrophobicContact CE2-CG2 4.01Å; N356-I359 PolarHBondContact O-N 3.29Å; N356-I359 VanDerWaalsContact OD1-CB 3.25Å; N356-I359 WeakPolarHBondContact OD1-CB 3.49Å; N356-I359 WeakPolarHBondContact OD1-CD1 3.24Å; N356-I359 WeakPolarHBondContact OD1-CG1 3.23Å; N356-I359 PolarHBondContact OD1-N 2.86Å; I359-Q362 PolarHBondContact O-N 3.48Å; I359-R363 WeakPolarHBondContact O-CB 3.1Å; I359-R363 PolarHBondContact O-N 3.3Å |
| 360 | L | 87.3 | Confident | 77.4 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.5 | -53.5 | 172.8 | 173.8 | 75.4 | 0 | 0 | 0 | 110.9 | Y12 I210 F355 N356 N357 Q362 R363 Y364 Y379 | Y12-L360 HydrophobicContact CD2-CD2 3.92Å; Y12-L360 HydrophobicContact CE2-CD2 4.2Å; I210-L360 HydrophobicContact CD1-CD1 4.08Å; I210-L360 HydrophobicContact CG1-CD1 4.07Å; F355-L360 HydrophobicContact CE1-CB 3.79Å; F355-L360 HydrophobicContact CE1-CD1 3.66Å; F355-L360 HydrophobicContact CE1-CG 4.26Å; F355-L360 HydrophobicContact CZ-CB 3.81Å; F355-L360 HydrophobicContact CZ-CD1 3.66Å; F355-L360 HydrophobicContact CZ-CG 4.35Å; N356-L360 WeakPolarHBondContact O-CB 3.26Å; N356-L360 PolarHBondContact O-N 3.28Å; N357-L360 WeakPolarHBondContact O-CB 3.27Å; N357-L360 PolarHBondContact O-N 2.81Å; L360-Q362 VanDerWaalsContact C-N 3.33Å; L360-Q362 PolarHBondContact O-N 2.85Å; L360-R363 PolarHBondContact O-N 2.51Å; L360-Y364 HydrophobicContact CD1-CD2 3.59Å; L360-Y364 HydrophobicContact CD1-CE2 3.97Å; L360-Y364 HydrophobicContact CG-CD2 4.48Å; L360-Y364 WeakPolarHBondContact O-CD2 3.15Å; L360-Y364 PolarHBondContact O-N 3.46Å; L360-Y379 HydrophobicContact CD2-CD1 3.54Å; L360-Y379 HydrophobicContact CD2-CD2 4.46Å; L360-Y379 HydrophobicContact CD2-CE1 3.72Å; L360-Y379 HydrophobicContact CD2-CG 3.92Å |
| 361 | L | 90.2 | Very high | 79.7 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 179.5 | -71.3 | 175 | 0 | 0 | 0 | 111.6 | N357 R358 R363 W365 A366 P376 I380 Y383 F384 V825 | N357-L361 WeakPolarHBondContact O-CB 3.44Å; N357-L361 WeakPolarHBondContact O-CG 3.36Å; N357-L361 PolarHBondContact O-N 3.41Å; R358-L361 PolarHBondContact O-N 3.21Å; L361-R363 VanDerWaalsContact C-N 3.33Å; L361-R363 PolarHBondContact O-N 2.69Å; L361-W365 HydrophobicContact CB-CE3 4.26Å; L361-W365 HydrophobicContact CD2-CE3 3.89Å; L361-W365 WeakPolarHBondContact O-CA 3.44Å; L361-W365 WeakPolarHBondContact O-CB 3.46Å; L361-W365 PolarHBondContact O-N 3.08Å; L361-A366 PolarHBondContact O-N 3.47Å; L361-P376 HydrophobicContact CD2-CG 4.19Å; L361-I380 HydrophobicContact CD2-CG1 4.02Å; L361-Y383 HydrophobicContact CD1-CD1 3.95Å; L361-Y383 HydrophobicContact CD1-CG 3.85Å; L361-F384 HydrophobicContact CD1-CE2 4.27Å; L361-V825 HydrophobicContact CB-CG2 4.35Å |
| 362 | Q | 88.9 | Confident | 81.6 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.4 | -163.9 | -179.7 | 28.8 | 0 | 0 | 112.2 | R358 I359 L360 A366 V825 N826 | R358-Q362 VanDerWaalsContact O-CB 3.3Å; R358-Q362 WeakPolarHBondContact O-CB 3.04Å; R358-Q362 PolarHBondContact O-N 2.79Å; I359-Q362 PolarHBondContact O-N 3.48Å; L360-Q362 VanDerWaalsContact C-N 3.33Å; L360-Q362 PolarHBondContact O-N 2.85Å; Q362-A366 CarbonylContact O-C 3.52Å; Q362-V825 HydrophobicContact CB-CG1 4.1Å; Q362-V825 HydrophobicContact CG-CG1 4.41Å; Q362-N826 PolarHBondContact NE2-OD1 3.01Å |
| 363 | R | 86 | Confident | 83.1 | Confident | 151 Ų | 151 | 51.2 Ų | 51.2 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -81.4 | -43 | -175.3 | -172.5 | 172.4 | -175.8 | 167.7 | -0.2 | 113.5 | I359 L360 L361 | I359-R363 WeakPolarHBondContact O-CB 3.1Å; I359-R363 PolarHBondContact O-N 3.3Å; L360-R363 PolarHBondContact O-N 2.51Å; L361-R363 VanDerWaalsContact C-N 3.33Å; L361-R363 PolarHBondContact O-N 2.69Å |
| 364 | Y | 86.1 | Confident | 84.4 | Confident | 38 Ų | 38 | 51 Ų | 51 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -103.1 | -12 | -170.3 | -67.5 | -73.3 | 0 | 0 | 0 | 114.6 | M205 I209 F355 L360 M370 | M205-Y364 HydrophobicContact CE-CD1 4.31Å; M205-Y364 HydrophobicContact CE-CG 4.44Å; I209-Y364 HydrophobicContact CD1-CE1 4.39Å; I209-Y364 HydrophobicContact CG2-CD1 4.28Å; I209-Y364 HydrophobicContact CG2-CD2 4.47Å; I209-Y364 HydrophobicContact CG2-CE1 3.61Å; I209-Y364 HydrophobicContact CG2-CE2 3.79Å; I209-Y364 WeakPolarHBondContact CG2-OH 3.21Å; F355-Y364 HydrophobicContact CZ-CE2 4.16Å; L360-Y364 HydrophobicContact CD1-CD2 3.59Å; L360-Y364 HydrophobicContact CD1-CE2 3.97Å; L360-Y364 HydrophobicContact CG-CD2 4.48Å; L360-Y364 WeakPolarHBondContact O-CD2 3.15Å; L360-Y364 PolarHBondContact O-N 3.46Å; Y364-M370 HydrophobicContact CD1-CE 3.78Å; Y364-M370 HydrophobicContact CE1-CE 4.14Å |
| 365 | W | 89.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -57.6 | -178.1 | -179.8 | 50.9 | 0 | 0 | 0 | 112.8 | L361 S367 P376 I380 F384 F392 R818 A821 V825 | L361-W365 HydrophobicContact CB-CE3 4.26Å; L361-W365 HydrophobicContact CD2-CE3 3.89Å; L361-W365 WeakPolarHBondContact O-CA 3.44Å; L361-W365 WeakPolarHBondContact O-CB 3.46Å; L361-W365 PolarHBondContact O-N 3.08Å; W365-S367 PolarHBondContact O-N 2.79Å; W365-P376 HydrophobicContact CB-CG 3.91Å; W365-P376 HydrophobicContact CG-CG 4.27Å; W365-I380 HydrophobicContact CD2-CD1 3.68Å; W365-I380 HydrophobicContact CD2-CG1 3.9Å; W365-I380 HydrophobicContact CE3-CD1 4.15Å; W365-I380 HydrophobicContact CE3-CG1 3.87Å; W365-I380 HydrophobicContact CG-CD1 4.23Å; W365-I380 HydrophobicContact CH2-CB 4.47Å; W365-I380 HydrophobicContact CH2-CD1 3.87Å; W365-I380 HydrophobicContact CH2-CG1 3.83Å; W365-I380 HydrophobicContact CH2-CG2 3.81Å; W365-I380 HydrophobicContact CZ2-CD1 3.35Å; W365-I380 HydrophobicContact CZ2-CG1 3.86Å; W365-I380 HydrophobicContact CZ2-CG2 4.24Å; W365-I380 HydrophobicContact CZ3-CD1 4.24Å; W365-I380 HydrophobicContact CZ3-CG1 3.84Å; W365-I380 HydrophobicContact CZ3-CG2 4.31Å; W365-F384 HydrophobicContact CZ3-CD2 4.47Å; W365-F384 HydrophobicContact CZ3-CE2 4.05Å; W365-F392 AromaticContact CH2-CD2 3.74Å; W365-F392 HydrophobicContact CH2-CD2 3.74Å; W365-F392 HydrophobicContact CH2-CE1 4.24Å; W365-F392 AromaticContact CH2-CE2 3.4Å; W365-F392 HydrophobicContact CH2-CE2 3.4Å; W365-F392 VanDerWaalsContact CH2-CE2 3.4Å; W365-F392 HydrophobicContact CH2-CG 4.3Å; W365-F392 AromaticContact CH2-CZ 3.67Å; W365-F392 HydrophobicContact CH2-CZ 3.67Å; W365-F392 HydrophobicContact CZ2-CB 4.45Å; W365-F392 AromaticContact CZ2-CD1 3.56Å; W365-F392 HydrophobicContact CZ2-CD1 3.56Å; W365-F392 AromaticContact CZ2-CD2 3.46Å; W365-F392 HydrophobicContact CZ2-CD2 3.46Å; W365-F392 VanDerWaalsContact CZ2-CD2 3.46Å; W365-F392 AromaticContact CZ2-CE1 3.47Å; W365-F392 HydrophobicContact CZ2-CE1 3.47Å; W365-F392 VanDerWaalsContact CZ2-CE1 3.47Å; W365-F392 AromaticContact CZ2-CE2 3.39Å; W365-F392 HydrophobicContact CZ2-CE2 3.39Å; W365-F392 AromaticContact CZ2-CG 3.54Å; W365-F392 HydrophobicContact CZ2-CG 3.54Å; W365-F392 AromaticContact CZ2-CZ 3.39Å; W365-F392 HydrophobicContact CZ2-CZ 3.39Å; W365-R818 WeakPolarHBondContact O-CD 3.37Å; W365-R818 PolarHBondContact O-NH1 3.43Å; W365-A821 HydrophobicContact CD2-CB 3.62Å; W365-A821 VanDerWaalsContact CE2-CB 3.46Å; W365-A821 HydrophobicContact CE3-CB 3.88Å; W365-A821 HydrophobicContact CG-CB 4.21Å; W365-A821 HydrophobicContact CH2-CB 3.92Å; W365-A821 HydrophobicContact CZ2-CB 3.64Å; W365-A821 HydrophobicContact CZ3-CB 4.02Å; W365-V825 HydrophobicContact CE3-CG2 4.34Å; W365-V825 HydrophobicContact CZ3-CG2 4.12Å |
| 366 | A | 88.7 | Confident | 86.4 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -81.6 | 41.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L361 Q362 A821 K822 V825 | L361-A366 PolarHBondContact O-N 3.47Å; Q362-A366 CarbonylContact O-C 3.52Å; A366-A821 HydrophobicContact CB-CB 3.89Å; A366-A821 WeakPolarHBondContact CB-O 3.21Å; A366-K822 HydrophobicContact CB-CB 4.48Å; A366-V825 HydrophobicContact CB-CB 4.18Å; A366-V825 HydrophobicContact CB-CG2 4.11Å |
| 367 | S | 86 | Confident | 86.6 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | trans | -135.6 | 131 | 177.9 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | W365 K369 M370 | W365-S367 PolarHBondContact O-N 2.79Å; S367-K369 PolarHBondContact O-N 3.32Å; S367-K369 VanDerWaalsContact O-N 3.16Å; S367-K369 PolarHBondContact OG-N 3.49Å; S367-M370 PolarHBondContact O-N 2.89Å | ||
| 368 | Y | 86.3 | Confident | 86.6 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 27% | 0.271 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -61.8 | -20.5 | 174.7 | -66.2 | -59.7 | 0 | 0 | 0 | 113.2 | M370 L371 S709 F815 R818 G819 K822 | Y368-M370 PolarHBondContact O-N 2.66Å; Y368-L371 PolarHBondContact O-N 3.46Å; Y368-S709 PolarHBondContact OH-OG 2.93Å; Y368-F815 HydrophobicContact CD1-CD1 4.31Å; Y368-F815 HydrophobicContact CE1-CD1 4.4Å; Y368-R818 HydrophobicContact CD1-CB 3.6Å; Y368-R818 HydrophobicContact CD1-CG 4.34Å; Y368-R818 HydrophobicContact CE1-CB 3.65Å; Y368-G819 WeakPolarHBondContact OH-CA 3.29Å; Y368-K822 HydrophobicContact CE2-CD 4.38Å |
| 369 | K | 86.4 | Confident | 86.6 | Confident | 196 Ų | 196 | 50.9 Ų | 50.9 | 85% | 0.852 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -64 | -20.6 | 173.3 | -64.1 | -172.8 | 178.1 | -173.5 | 0 | 113.1 | S367 | S367-K369 PolarHBondContact O-N 3.32Å; S367-K369 VanDerWaalsContact O-N 3.16Å; S367-K369 PolarHBondContact OG-N 3.49Å |
| 370 | M | 85.1 | Confident | 86.8 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -101 | 18 | -177.2 | -63.7 | -64.9 | -178.5 | 0 | 0 | 112.7 | Y364 S367 Y368 F372 K373 R818 | Y364-M370 HydrophobicContact CD1-CE 3.78Å; Y364-M370 HydrophobicContact CE1-CE 4.14Å; S367-M370 PolarHBondContact O-N 2.89Å; Y368-M370 PolarHBondContact O-N 2.66Å; M370-F372 VanDerWaalsContact C-N 3.34Å; M370-F372 PolarHBondContact O-N 2.94Å; M370-F372 VanDerWaalsContact O-N 3.16Å; M370-K373 HydrophobicContact CB-CB 4.46Å; M370-K373 PolarHBondContact O-N 2.89Å; M370-K373 HydrophobicContact SD-CG 4.05Å; M370-R818 PolarHBondContact O-NH2 3.47Å |
| 371 | L | 83.5 | Confident | 86.9 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.5 | -54.2 | -171.9 | -160.2 | 75.6 | 0 | 0 | 0 | 113.5 | Y368 K373 L814 F815 R818 | Y368-L371 PolarHBondContact O-N 3.46Å; L371-K373 PolarHBondContact O-N 3.36Å; L371-L814 VanDerWaalsContact CD1-C 3.5Å; L371-L814 HydrophobicContact CD1-CB 4.08Å; L371-L814 WeakPolarHBondContact CD1-O 3.41Å; L371-L814 HydrophobicContact CD2-CB 4.19Å; L371-L814 HydrophobicContact CG-CB 3.98Å; L371-F815 HydrophobicContact CD1-CD1 4.09Å; L371-F815 HydrophobicContact CD1-CE1 4.35Å; L371-F815 HydrophobicContact CD2-CE1 4.46Å; L371-F815 HydrophobicContact CD2-CZ 4.46Å; L371-R818 HydrophobicContact CD1-CG 3.99Å; L371-R818 PolarHBondContact O-NH2 3.43Å; L371-R818 VanDerWaalsContact O-NH2 3.11Å |
| 372 | F | 82.6 | Confident | 86.9 | Confident | 145 Ų | 145 | 54.9 Ų | 54.9 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3 | -175.8 | -56.8 | -73.4 | 0 | 0 | 0 | 115.1 | L203 M370 L814 | L203-F372 WeakPolarHBondContact CD2-O 3.28Å; M370-F372 VanDerWaalsContact C-N 3.34Å; M370-F372 PolarHBondContact O-N 2.94Å; M370-F372 VanDerWaalsContact O-N 3.16Å; F372-L814 HydrophobicContact CD1-CD1 4.34Å; F372-L814 HydrophobicContact CE1-CD1 3.87Å |
| 373 | K | 82.8 | Confident | 87 | Confident | 98 Ų | 98 | 52.2 Ų | 52.2 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -88.6 | 147.5 | 179.2 | -65.8 | -63.9 | -177.7 | -176.6 | 0 | 111.4 | C202 M370 L371 R818 | C202-K373 PolarHBondContact O-NZ 3.33Å; M370-K373 HydrophobicContact CB-CB 4.46Å; M370-K373 PolarHBondContact O-N 2.89Å; M370-K373 HydrophobicContact SD-CG 4.05Å; L371-K373 PolarHBondContact O-N 3.36Å; K373-R818 PolarHBondContact O-NH2 2.88Å |
| 374 | C | 80.6 | Confident | 87.3 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -59.1 | 154.5 | 173 | -85.9 | 0 | 0 | 0 | 0 | 112.6 | L203 M205 | L203-C374 WeakPolarHBondContact O-CB 3.41Å; L203-C374 PolarHBondContact O-N 2.95Å; L203-C374 VanDerWaalsContact O-N 3.14Å; L203-C374 PolarHBondContact O-SG 3.37Å; M205-C374 HydrophobicContact CG-CB 4.17Å; M205-C374 WeakPolarHBondContact CG-O 3.33Å |
| 375 | Q | 87.9 | Confident | 87.6 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -83.4 | 139.1 | 178.3 | -56.1 | -177 | 64.5 | 0 | 0 | 111.4 | I377 I380 F392 G396 I817 | Q375-I377 VanDerWaalsContact C-N 3.28Å; Q375-I377 HydrophobicContact CB-CG1 4.26Å; Q375-I377 PolarHBondContact O-N 3.45Å; Q375-I380 HydrophobicContact CB-CD1 4.42Å; Q375-F392 PolarHBondContact NE2-O 2.96Å; Q375-G396 VanDerWaalsContact NE2-CA 3.35Å; Q375-I817 VanDerWaalsContact CD-CG2 3.44Å; Q375-I817 HydrophobicContact CG-CG2 3.93Å |
| 376 | P | 89 | Confident | 87.7 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | trans | -82.4 | 66.4 | 176.5 | 34.1 | -35.4 | 0 | 0 | 0 | 111.9 | M205 I210 L361 W365 S378 Y379 I380 | M205-P376 HydrophobicContact SD-CB 3.98Å; M205-P376 HydrophobicContact SD-CG 4.35Å; I210-P376 HydrophobicContact CD1-CB 4.02Å; L361-P376 HydrophobicContact CD2-CG 4.19Å; W365-P376 HydrophobicContact CB-CG 3.91Å; W365-P376 HydrophobicContact CG-CG 4.27Å; P376-S378 PolarHBondContact O-N 3.05Å; P376-S378 VanDerWaalsContact O-N 3.1Å; P376-Y379 PolarHBondContact O-N 3.43Å; P376-I380 WeakPolarHBondContact O-CG1 3.19Å; P376-I380 PolarHBondContact O-N 3.37Å; P376-I380 VanDerWaalsContact O-N 3.1Å | ||
| 377 | I | 88.5 | Confident | 87.9 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.7 | -35.7 | -171.8 | -48.1 | 173.5 | 0 | 0 | 0 | 113.2 | Q375 Y379 I380 R381 A389 A393 W499 | Q375-I377 VanDerWaalsContact C-N 3.28Å; Q375-I377 HydrophobicContact CB-CG1 4.26Å; Q375-I377 PolarHBondContact O-N 3.45Å; I377-Y379 PolarHBondContact O-N 3.47Å; I377-I380 PolarHBondContact O-N 3.09Å; I377-R381 WeakPolarHBondContact O-CB 3.43Å; I377-R381 PolarHBondContact O-N 3.49Å; I377-A389 HydrophobicContact CG2-CB 4.24Å; I377-A393 HydrophobicContact CD1-CB 4.14Å; I377-A393 HydrophobicContact CG2-CB 4.33Å; I377-W499 HydrophobicContact CG2-CH2 3.78Å; I377-W499 HydrophobicContact CG2-CZ2 3.43Å; I377-W499 VanDerWaalsContact CG2-CZ2 3.43Å |
| 378 | S | 85.9 | Confident | 88.3 | Confident | 29 Ų | 29 | 43 Ų | 43 | 20% | 0.203 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 177.1 | -69.2 | 0 | 0 | 0 | 0 | 113.2 | P376 Y382 R498 | P376-S378 PolarHBondContact O-N 3.05Å; P376-S378 VanDerWaalsContact O-N 3.1Å; S378-Y382 WeakPolarHBondContact O-CB 3.34Å; S378-Y382 PolarHBondContact O-N 3.37Å; S378-R498 PolarHBondContact OG-NH2 3.33Å |
| 379 | Y | 88.5 | Confident | 88.6 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -78.3 | -34.4 | 177.9 | -78.8 | -87.9 | 0 | 0 | 0 | 112.1 | Y12 I210 K211 I213 L360 P376 I377 R381 Y382 Y383 | Y12-Y379 AromaticContact CD2-CE1 3.78Å; Y12-Y379 HydrophobicContact CD2-CE1 3.78Å; Y12-Y379 HydrophobicContact CE2-CE1 4.18Å; Y12-Y379 WeakPolarHBondContact CE2-OH 3.41Å; I210-Y379 HydrophobicContact CG2-CD2 3.53Å; I210-Y379 HydrophobicContact CG2-CE2 3.07Å; K211-Y379 WeakPolarHBondContact O-CE2 3.4Å; K211-Y379 PolarHBondContact O-OH 3.48Å; I213-Y379 HydrophobicContact CG1-CE2 4.4Å; L360-Y379 HydrophobicContact CD2-CD1 3.54Å; L360-Y379 HydrophobicContact CD2-CD2 4.46Å; L360-Y379 HydrophobicContact CD2-CE1 3.72Å; L360-Y379 HydrophobicContact CD2-CG 3.92Å; P376-Y379 PolarHBondContact O-N 3.43Å; I377-Y379 PolarHBondContact O-N 3.47Å; Y379-R381 VanDerWaalsContact C-N 3.31Å; Y379-R381 PolarHBondContact O-N 3.36Å; Y379-Y382 PolarHBondContact O-N 2.97Å; Y379-Y383 WeakPolarHBondContact O-CB 3.22Å; Y379-Y383 PolarHBondContact O-N 3.25Å |
| 380 | I | 92 | Very high | 89 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 172.3 | -61.2 | 165.6 | 0 | 0 | 0 | 109.4 | L361 W365 Q375 P376 I377 Y383 F384 V388 F392 | L361-I380 HydrophobicContact CD2-CG1 4.02Å; W365-I380 HydrophobicContact CD2-CD1 3.68Å; W365-I380 HydrophobicContact CD2-CG1 3.9Å; W365-I380 HydrophobicContact CE3-CD1 4.15Å; W365-I380 HydrophobicContact CE3-CG1 3.87Å; W365-I380 HydrophobicContact CG-CD1 4.23Å; W365-I380 HydrophobicContact CH2-CB 4.47Å; W365-I380 HydrophobicContact CH2-CD1 3.87Å; W365-I380 HydrophobicContact CH2-CG1 3.83Å; W365-I380 HydrophobicContact CH2-CG2 3.81Å; W365-I380 HydrophobicContact CZ2-CD1 3.35Å; W365-I380 HydrophobicContact CZ2-CG1 3.86Å; W365-I380 HydrophobicContact CZ2-CG2 4.24Å; W365-I380 HydrophobicContact CZ3-CD1 4.24Å; W365-I380 HydrophobicContact CZ3-CG1 3.84Å; W365-I380 HydrophobicContact CZ3-CG2 4.31Å; Q375-I380 HydrophobicContact CB-CD1 4.42Å; P376-I380 WeakPolarHBondContact O-CG1 3.19Å; P376-I380 PolarHBondContact O-N 3.37Å; P376-I380 VanDerWaalsContact O-N 3.1Å; I377-I380 PolarHBondContact O-N 3.09Å; I380-Y383 PolarHBondContact O-N 2.88Å; I380-F384 HydrophobicContact CG2-CD2 4.42Å; I380-F384 PolarHBondContact O-N 3.34Å; I380-V388 HydrophobicContact CG2-CG1 4.13Å; I380-F392 HydrophobicContact CG2-CD2 4.23Å |
| 381 | R | 91.1 | Very high | 89.5 | Confident | 60 Ų | 60 | 28.3 Ų | 28.3 | 23% | 0.226 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 173.9 | 177.3 | -174.8 | 168.3 | -140.8 | -1.3 | 112.1 | I377 Y379 Y383 G385 E386 A389 W499 | I377-R381 WeakPolarHBondContact O-CB 3.43Å; I377-R381 PolarHBondContact O-N 3.49Å; Y379-R381 VanDerWaalsContact C-N 3.31Å; Y379-R381 PolarHBondContact O-N 3.36Å; R381-Y383 PolarHBondContact O-N 2.92Å; R381-G385 WeakPolarHBondContact O-CA 3.32Å; R381-G385 PolarHBondContact O-N 3.41Å; R381-E386 HydrophobicContact CG-CG 4.17Å; R381-E386 IonicContact CZ-OE1 3.36Å; R381-E386 IonicContact NE-OE1 2.67Å; R381-E386 PolarHBondContact NE-OE1 3.48Å; R381-E386 IonicContact NH2-OE1 3.8Å; R381-E386 PolarHBondContact NH2-OE1 2.8Å; R381-A389 HydrophobicContact CB-CB 3.68Å; R381-A389 HydrophobicContact CG-CB 4.38Å; R381-W499 VanDerWaalsContact CZ-CA 3.45Å; R381-W499 VanDerWaalsContact CZ-CB 3.44Å; R381-W499 VanDerWaalsContact NH1-CD1 3.31Å; R381-W499 PolarHBondContact NH2-O 3.26Å |
| 382 | Y | 88.4 | Confident | 90.1 | Very high | 42 Ų | 42 | 27 Ų | 27 | 17% | 0.165 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -34.4 | -177.5 | -176.5 | -94.4 | 0 | 0 | 0 | 112.1 | S10 I213 T240 V242 S378 Y379 | S10-Y382 VanDerWaalsContact CB-CE1 3.46Å; I213-Y382 HydrophobicContact CD1-CD2 4.47Å; I213-Y382 HydrophobicContact CD1-CG 4.5Å; T240-Y382 HydrophobicContact CG2-CD2 4.32Å; T240-Y382 HydrophobicContact CG2-CE2 3.8Å; V242-Y382 VanDerWaalsContact CG2-O 3.26Å; V242-Y382 WeakPolarHBondContact CG2-O 3.49Å; S378-Y382 WeakPolarHBondContact O-CB 3.34Å; S378-Y382 PolarHBondContact O-N 3.37Å; Y379-Y382 PolarHBondContact O-N 2.97Å |
| 383 | Y | 91.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -91.2 | -40.1 | -176.3 | -166 | -98.9 | 0 | 0 | 0 | 114.4 | V242 H322 E323 N357 R358 L361 Y379 I380 R381 R830 | V242-Y383 VanDerWaalsContact CG2-O 3.28Å; V242-Y383 WeakPolarHBondContact CG2-O 3.17Å; H322-Y383 AromaticContact ND1-CE1 3.61Å; H322-Y383 AromaticContact ND1-CZ 3.63Å; H322-Y383 PolarHBondContact ND1-OH 3.44Å; E323-Y383 HydrophobicContact CB-CE2 4.46Å; E323-Y383 HydrophobicContact CG-CE2 4.18Å; E323-Y383 PolarHBondContact N-OH 3.37Å; N357-Y383 HydrophobicContact CB-CD2 3.82Å; N357-Y383 HydrophobicContact CB-CE2 4.25Å; R358-Y383 HydrophobicContact CB-CE2 4.27Å; L361-Y383 HydrophobicContact CD1-CD1 3.95Å; L361-Y383 HydrophobicContact CD1-CG 3.85Å; Y379-Y383 WeakPolarHBondContact O-CB 3.22Å; Y379-Y383 PolarHBondContact O-N 3.25Å; I380-Y383 PolarHBondContact O-N 2.88Å; R381-Y383 PolarHBondContact O-N 2.92Å; Y383-R830 VanDerWaalsContact O-CZ 3.3Å; Y383-R830 PolarHBondContact O-NE 3.48Å; Y383-R830 PolarHBondContact O-NH2 3.3Å |
| 384 | F | 93.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.018 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -110.8 | -12.4 | -174.7 | -70.3 | -69.3 | 0 | 0 | 0 | 114.7 | L361 W365 I380 V388 L824 V825 R830 P831 | L361-F384 HydrophobicContact CD1-CE2 4.27Å; W365-F384 HydrophobicContact CZ3-CD2 4.47Å; W365-F384 HydrophobicContact CZ3-CE2 4.05Å; I380-F384 HydrophobicContact CG2-CD2 4.42Å; I380-F384 PolarHBondContact O-N 3.34Å; F384-V388 HydrophobicContact CB-CB 3.8Å; F384-V388 HydrophobicContact CB-CG1 3.95Å; F384-V388 HydrophobicContact CB-CG2 3.85Å; F384-V388 HydrophobicContact CG-CG1 4.34Å; F384-L824 HydrophobicContact CE1-CB 4.37Å; F384-L824 HydrophobicContact CE2-CB 4.49Å; F384-L824 HydrophobicContact CZ-CB 4.02Å; F384-V825 HydrophobicContact CE2-CG2 4.03Å; F384-V825 HydrophobicContact CZ-CG2 4.03Å; F384-R830 HydrophobicContact CD1-CG 4.49Å; F384-P831 HydrophobicContact CD1-CG 4.33Å |
| 385 | G | 91.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 12.9 Ų | 12.9 | 5% | 0.052 | 7% | 0.065 | C | C | . | . | trans | 95.4 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R381 A389 | R381-G385 WeakPolarHBondContact O-CA 3.32Å; R381-G385 PolarHBondContact O-N 3.41Å; G385-A389 PolarHBondContact O-N 2.77Å | ||
| 386 | E | 91.5 | Very high | 92 | Very high | 15 Ų | 15 | 12.6 Ų | 12.6 | 7% | 0.07 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.2 | -36.7 | -173.3 | -70.7 | 84.5 | 179.3 | 0 | 0 | 113.9 | R381 A389 F390 W499 V501 R835 | R381-E386 HydrophobicContact CG-CG 4.17Å; R381-E386 IonicContact CZ-OE1 3.36Å; R381-E386 IonicContact NE-OE1 2.67Å; R381-E386 PolarHBondContact NE-OE1 3.48Å; R381-E386 IonicContact NH2-OE1 3.8Å; R381-E386 PolarHBondContact NH2-OE1 2.8Å; E386-A389 PolarHBondContact O-N 2.75Å; E386-F390 HydrophobicContact CB-CD2 4.44Å; E386-F390 HydrophobicContact CB-CE2 4.46Å; E386-F390 VanDerWaalsContact O-CD2 3.28Å; E386-F390 WeakPolarHBondContact O-CD2 3.28Å; E386-F390 PolarHBondContact O-N 3.27Å; E386-W499 HydrophobicContact CB-CE3 4.44Å; E386-W499 HydrophobicContact CG-CB 4.28Å; E386-W499 HydrophobicContact CG-CE3 4.26Å; E386-V501 HydrophobicContact CG-CG1 3.82Å; E386-R835 IonicContact OE1-NE 3.68Å; E386-R835 IonicContact OE1-NH2 2.97Å; E386-R835 IonicContact OE2-NE 2.96Å |
| 387 | A | 92.7 | Very high | 92.2 | Very high | 12 Ų | 12 | 13.4 Ų | 13.4 | 10% | 0.099 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A389 F390 Y391 L781 L833 V836 | A387-A389 VanDerWaalsContact C-N 3.33Å; A387-F390 PolarHBondContact O-N 3.27Å; A387-Y391 PolarHBondContact O-N 3.39Å; A387-L781 HydrophobicContact CB-CD1 4.3Å; A387-L833 HydrophobicContact CB-CB 3.89Å; A387-L833 HydrophobicContact CB-CD1 3.78Å; A387-L833 HydrophobicContact CB-CG 4.48Å; A387-V836 HydrophobicContact CB-CG2 3.83Å |
| 388 | V | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 174.4 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | I380 F384 F390 Y391 F392 L781 L824 L833 | I380-V388 HydrophobicContact CG2-CG1 4.13Å; F384-V388 HydrophobicContact CB-CB 3.8Å; F384-V388 HydrophobicContact CB-CG1 3.95Å; F384-V388 HydrophobicContact CB-CG2 3.85Å; F384-V388 HydrophobicContact CG-CG1 4.34Å; V388-F390 VanDerWaalsContact C-N 3.34Å; V388-F390 PolarHBondContact O-N 3.29Å; V388-Y391 WeakPolarHBondContact O-CB 3.38Å; V388-Y391 PolarHBondContact O-N 3.1Å; V388-F392 HydrophobicContact CG1-CD2 3.78Å; V388-F392 HydrophobicContact CG1-CE2 3.71Å; V388-F392 WeakPolarHBondContact O-CD2 3.29Å; V388-F392 PolarHBondContact O-N 3.38Å; V388-F392 VanDerWaalsContact O-N 3.17Å; V388-L781 HydrophobicContact CG2-CD1 4.48Å; V388-L824 HydrophobicContact CG1-CD1 3.87Å; V388-L833 HydrophobicContact CG2-CD1 3.61Å |
| 389 | A | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.8 | -36.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I377 R381 G385 E386 A387 A393 W499 | I377-A389 HydrophobicContact CG2-CB 4.24Å; R381-A389 HydrophobicContact CB-CB 3.68Å; R381-A389 HydrophobicContact CG-CB 4.38Å; G385-A389 PolarHBondContact O-N 2.77Å; E386-A389 PolarHBondContact O-N 2.75Å; A387-A389 VanDerWaalsContact C-N 3.33Å; A389-A393 WeakPolarHBondContact O-CB 3.22Å; A389-A393 PolarHBondContact O-N 3.37Å; A389-W499 HydrophobicContact CB-CH2 3.53Å; A389-W499 HydrophobicContact CB-CZ2 4.06Å; A389-W499 HydrophobicContact CB-CZ3 3.83Å |
| 390 | F | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65 | -41 | 174.1 | -88.7 | -63.6 | 0 | 0 | 0 | 112.2 | E386 A387 V388 A393 W394 Q492 L495 A496 W499 V501 V836 Q837 I839 | E386-F390 HydrophobicContact CB-CD2 4.44Å; E386-F390 HydrophobicContact CB-CE2 4.46Å; E386-F390 VanDerWaalsContact O-CD2 3.28Å; E386-F390 WeakPolarHBondContact O-CD2 3.28Å; E386-F390 PolarHBondContact O-N 3.27Å; A387-F390 PolarHBondContact O-N 3.27Å; V388-F390 VanDerWaalsContact C-N 3.34Å; V388-F390 PolarHBondContact O-N 3.29Å; F390-A393 PolarHBondContact O-N 3.2Å; F390-W394 WeakPolarHBondContact O-CB 3.4Å; F390-W394 PolarHBondContact O-N 2.71Å; F390-Q492 HydrophobicContact CD1-CG 4.29Å; F390-Q492 HydrophobicContact CE1-CG 3.77Å; F390-L495 HydrophobicContact CE1-CB 4.01Å; F390-L495 HydrophobicContact CZ-CB 4.49Å; F390-A496 HydrophobicContact CZ-CB 4.05Å; F390-W499 HydrophobicContact CB-CZ3 4.5Å; F390-W499 AromaticContact CD1-CZ3 3.81Å; F390-W499 HydrophobicContact CD1-CZ3 3.81Å; F390-W499 HydrophobicContact CD2-CE3 4.1Å; F390-W499 AromaticContact CD2-CZ3 3.69Å; F390-W499 HydrophobicContact CD2-CZ3 3.69Å; F390-W499 HydrophobicContact CE1-CE3 4.24Å; F390-W499 AromaticContact CE1-CZ3 3.82Å; F390-W499 HydrophobicContact CE1-CZ3 3.82Å; F390-W499 AromaticContact CE2-CE3 3.68Å; F390-W499 HydrophobicContact CE2-CE3 3.68Å; F390-W499 AromaticContact CE2-CZ3 3.7Å; F390-W499 HydrophobicContact CE2-CZ3 3.7Å; F390-W499 AromaticContact CG-CZ3 3.73Å; F390-W499 HydrophobicContact CG-CZ3 3.73Å; F390-W499 AromaticContact CZ-CE3 3.76Å; F390-W499 HydrophobicContact CZ-CE3 3.76Å; F390-W499 AromaticContact CZ-CZ3 3.77Å; F390-W499 HydrophobicContact CZ-CZ3 3.77Å; F390-V501 HydrophobicContact CE2-CG2 4.2Å; F390-V501 HydrophobicContact CZ-CG2 4.42Å; F390-V836 HydrophobicContact CD2-CG2 3.98Å; F390-V836 VanDerWaalsContact CE2-O 3.3Å; F390-V836 WeakPolarHBondContact CE2-O 3.32Å; F390-Q837 WeakPolarHBondContact CZ-O 3.07Å; F390-I839 HydrophobicContact CB-CG2 4.42Å |
| 391 | Y | 95.4 | Very high | 93 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.3 | -55.4 | 175.3 | 170.9 | -100.1 | 0 | 0 | 0 | 111.4 | A387 V388 A393 W394 L395 L781 E784 Y785 D820 | A387-Y391 PolarHBondContact O-N 3.39Å; V388-Y391 WeakPolarHBondContact O-CB 3.38Å; V388-Y391 PolarHBondContact O-N 3.1Å; Y391-A393 VanDerWaalsContact C-N 3.31Å; Y391-A393 PolarHBondContact O-N 2.9Å; Y391-W394 WeakPolarHBondContact O-CB 3.36Å; Y391-W394 PolarHBondContact O-N 2.98Å; Y391-W394 VanDerWaalsContact O-N 3.16Å; Y391-L395 HydrophobicContact CE1-CD2 4.16Å; Y391-L395 WeakPolarHBondContact O-CB 3.41Å; Y391-L395 PolarHBondContact O-N 3.22Å; Y391-L781 HydrophobicContact CD1-CD2 4.43Å; Y391-L781 HydrophobicContact CG-CD2 4.25Å; Y391-E784 HydrophobicContact CD2-CB 4.33Å; Y391-E784 HydrophobicContact CE1-CB 4.25Å; Y391-E784 HydrophobicContact CE2-CB 3.51Å; Y391-E784 VanDerWaalsContact CZ-CB 3.48Å; Y391-E784 WeakPolarHBondContact OH-CB 3.33Å; Y391-Y785 VanDerWaalsContact CA-OH 3.24Å; Y391-Y785 WeakPolarHBondContact CA-OH 3.46Å; Y391-Y785 WeakPolarHBondContact CB-OH 3.3Å; Y391-Y785 AromaticContact CD2-CD1 3.89Å; Y391-Y785 HydrophobicContact CD2-CD1 3.89Å; Y391-Y785 HydrophobicContact CD2-CD2 4.07Å; Y391-Y785 AromaticContact CD2-CE1 3.71Å; Y391-Y785 HydrophobicContact CD2-CE1 3.71Å; Y391-Y785 AromaticContact CD2-CE2 3.89Å; Y391-Y785 HydrophobicContact CD2-CE2 3.89Å; Y391-Y785 HydrophobicContact CD2-CG 4.07Å; Y391-Y785 AromaticContact CD2-CZ 3.71Å; Y391-Y785 HydrophobicContact CE2-CD1 4.34Å; Y391-Y785 HydrophobicContact CE2-CG 4.44Å; Y391-Y785 HydrophobicContact CG-CE2 4.48Å; Y391-Y785 PolarHBondContact N-OH 3.28Å; Y391-D820 HydrophobicContact CE1-CB 4.47Å; Y391-D820 PolarHBondContact OH-OD2 3.07Å |
| 392 | F | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.3 | -29.5 | 179.9 | -77.3 | -71.7 | 0 | 0 | 0 | 113.7 | W365 Q375 I380 V388 G396 D820 A821 L824 | W365-F392 AromaticContact CH2-CD2 3.74Å; W365-F392 HydrophobicContact CH2-CD2 3.74Å; W365-F392 HydrophobicContact CH2-CE1 4.24Å; W365-F392 AromaticContact CH2-CE2 3.4Å; W365-F392 HydrophobicContact CH2-CE2 3.4Å; W365-F392 VanDerWaalsContact CH2-CE2 3.4Å; W365-F392 HydrophobicContact CH2-CG 4.3Å; W365-F392 AromaticContact CH2-CZ 3.67Å; W365-F392 HydrophobicContact CH2-CZ 3.67Å; W365-F392 HydrophobicContact CZ2-CB 4.45Å; W365-F392 AromaticContact CZ2-CD1 3.56Å; W365-F392 HydrophobicContact CZ2-CD1 3.56Å; W365-F392 AromaticContact CZ2-CD2 3.46Å; W365-F392 HydrophobicContact CZ2-CD2 3.46Å; W365-F392 VanDerWaalsContact CZ2-CD2 3.46Å; W365-F392 AromaticContact CZ2-CE1 3.47Å; W365-F392 HydrophobicContact CZ2-CE1 3.47Å; W365-F392 VanDerWaalsContact CZ2-CE1 3.47Å; W365-F392 AromaticContact CZ2-CE2 3.39Å; W365-F392 HydrophobicContact CZ2-CE2 3.39Å; W365-F392 AromaticContact CZ2-CG 3.54Å; W365-F392 HydrophobicContact CZ2-CG 3.54Å; W365-F392 AromaticContact CZ2-CZ 3.39Å; W365-F392 HydrophobicContact CZ2-CZ 3.39Å; Q375-F392 PolarHBondContact NE2-O 2.96Å; I380-F392 HydrophobicContact CG2-CD2 4.23Å; V388-F392 HydrophobicContact CG1-CD2 3.78Å; V388-F392 HydrophobicContact CG1-CE2 3.71Å; V388-F392 WeakPolarHBondContact O-CD2 3.29Å; V388-F392 PolarHBondContact O-N 3.38Å; V388-F392 VanDerWaalsContact O-N 3.17Å; F392-G396 PolarHBondContact O-N 2.94Å; F392-D820 HydrophobicContact CE1-CB 3.8Å; F392-D820 HydrophobicContact CZ-CB 3.63Å; F392-A821 HydrophobicContact CZ-CB 4.5Å; F392-L824 HydrophobicContact CE2-CD1 3.51Å; F392-L824 HydrophobicContact CZ-CD1 3.85Å |
| 393 | A | 93.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 4% | 0.041 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I377 A389 F390 Y391 F397 W488 L495 W499 | I377-A393 HydrophobicContact CD1-CB 4.14Å; I377-A393 HydrophobicContact CG2-CB 4.33Å; A389-A393 WeakPolarHBondContact O-CB 3.22Å; A389-A393 PolarHBondContact O-N 3.37Å; F390-A393 PolarHBondContact O-N 3.2Å; Y391-A393 VanDerWaalsContact C-N 3.31Å; Y391-A393 PolarHBondContact O-N 2.9Å; A393-F397 WeakPolarHBondContact O-CB 3.45Å; A393-F397 PolarHBondContact O-N 3.28Å; A393-W488 HydrophobicContact CB-CH2 4.2Å; A393-L495 HydrophobicContact CB-CD1 3.58Å; A393-W499 HydrophobicContact CB-CH2 4.33Å |
| 394 | W | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -50.3 | 175 | -179.8 | 88 | 0 | 0 | 0 | 110.6 | F390 Y391 G396 F397 Y398 W488 M788 M789 I846 | F390-W394 WeakPolarHBondContact O-CB 3.4Å; F390-W394 PolarHBondContact O-N 2.71Å; Y391-W394 WeakPolarHBondContact O-CB 3.36Å; Y391-W394 PolarHBondContact O-N 2.98Å; Y391-W394 VanDerWaalsContact O-N 3.16Å; W394-G396 PolarHBondContact O-N 2.87Å; W394-F397 WeakPolarHBondContact O-CB 3.42Å; W394-F397 PolarHBondContact O-N 3.48Å; W394-F397 VanDerWaalsContact O-N 3.12Å; W394-Y398 AromaticContact CH2-CD1 3.86Å; W394-Y398 HydrophobicContact CH2-CD1 3.86Å; W394-Y398 HydrophobicContact CH2-CE1 4.36Å; W394-Y398 HydrophobicContact CH2-CG 4.21Å; W394-Y398 HydrophobicContact CZ2-CG 4.47Å; W394-Y398 HydrophobicContact CZ3-CD1 4.09Å; W394-Y398 WeakPolarHBondContact O-CB 3.3Å; W394-Y398 PolarHBondContact O-N 3.02Å; W394-W488 HydrophobicContact CB-CH2 3.46Å; W394-W488 VanDerWaalsContact CB-CH2 3.46Å; W394-W488 HydrophobicContact CB-CZ2 3.59Å; W394-W488 HydrophobicContact CB-CZ3 3.97Å; W394-W488 AromaticContact CD1-CD1 3.97Å; W394-W488 AromaticContact CD1-CD2 3.6Å; W394-W488 AromaticContact CD1-CE2 3.4Å; W394-W488 VanDerWaalsContact CD1-CE2 3.4Å; W394-W488 AromaticContact CD1-CG 3.99Å; W394-W488 AromaticContact CD1-CZ2 3.73Å; W394-W488 AromaticContact CD1-NE1 3.64Å; W394-W488 HydrophobicContact CG-CD2 4.46Å; W394-W488 HydrophobicContact CG-CH2 4.25Å; W394-W488 HydrophobicContact CG-CZ2 4.06Å; W394-W488 VanDerWaalsContact N-CH2 3.28Å; W394-M788 HydrophobicContact CH2-CB 3.64Å; W394-M788 HydrophobicContact CZ3-CB 3.42Å; W394-M788 VanDerWaalsContact CZ3-CB 3.42Å; W394-M788 HydrophobicContact CZ3-CG 3.89Å; W394-M789 HydrophobicContact CH2-CE 3.57Å; W394-M789 HydrophobicContact CZ2-CE 3.42Å; W394-M789 VanDerWaalsContact CZ2-CE 3.42Å; W394-M789 HydrophobicContact CZ2-SD 4.41Å; W394-M789 HydrophobicContact CZ3-CE 4.18Å; W394-I846 HydrophobicContact CZ2-CD1 4.3Å |
| 395 | L | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | -179.6 | -177.3 | 58.8 | 0 | 0 | 0 | 112 | Y391 F397 Y398 T399 M788 N813 E816 I817 | Y391-L395 HydrophobicContact CE1-CD2 4.16Å; Y391-L395 WeakPolarHBondContact O-CB 3.41Å; Y391-L395 PolarHBondContact O-N 3.22Å; L395-F397 PolarHBondContact O-N 3.21Å; L395-Y398 PolarHBondContact O-N 2.87Å; L395-T399 WeakPolarHBondContact O-CB 3.4Å; L395-T399 PolarHBondContact O-N 3.48Å; L395-T399 PolarHBondContact O-OG1 3.23Å; L395-M788 HydrophobicContact CD1-CG 4.07Å; L395-M788 HydrophobicContact CD1-SD 3.39Å; L395-M788 WeakPolarHBondContact CD1-SD 3.34Å; L395-N813 HydrophobicContact CD1-CB 4.43Å; L395-E816 HydrophobicContact CD2-CG 4.5Å; L395-I817 HydrophobicContact CD2-CB 4.28Å; L395-I817 HydrophobicContact CD2-CG1 3.39Å; L395-I817 HydrophobicContact CG-CD1 4.16Å; L395-I817 HydrophobicContact CG-CG1 3.51Å |
| 396 | G | 92.1 | Very high | 93.6 | Very high | 20 Ų | 20 | 17.5 Ų | 17.5 | 21% | 0.206 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q375 F392 W394 A400 | Q375-G396 VanDerWaalsContact NE2-CA 3.35Å; F392-G396 PolarHBondContact O-N 2.94Å; W394-G396 PolarHBondContact O-N 2.87Å; G396-A400 WeakPolarHBondContact O-CB 3.41Å; G396-A400 PolarHBondContact O-N 3.41Å; G396-A400 VanDerWaalsContact O-N 3.07Å |
| 397 | F | 93 | Very high | 93.8 | Very high | 30 Ų | 30 | 20.8 Ų | 20.8 | 13% | 0.132 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.2 | -45.2 | 176.3 | -177.5 | -98.6 | 0 | 0 | 0 | 111.7 | A393 W394 L395 A400 W401 F484 M487 W488 K491 | A393-F397 WeakPolarHBondContact O-CB 3.45Å; A393-F397 PolarHBondContact O-N 3.28Å; W394-F397 WeakPolarHBondContact O-CB 3.42Å; W394-F397 PolarHBondContact O-N 3.48Å; W394-F397 VanDerWaalsContact O-N 3.12Å; L395-F397 PolarHBondContact O-N 3.21Å; F397-A400 PolarHBondContact O-N 2.97Å; F397-W401 AromaticContact CD2-CD1 3.98Å; F397-W401 AromaticContact CD2-NE1 3.98Å; F397-W401 AromaticContact CE1-CD1 3.76Å; F397-W401 HydrophobicContact CE1-CG 4.29Å; F397-W401 AromaticContact CE1-NE1 3.76Å; F397-W401 AromaticContact CE2-CD1 3.66Å; F397-W401 AromaticContact CE2-NE1 3.21Å; F397-W401 AromaticContact CZ-CD1 3.53Å; F397-W401 HydrophobicContact CZ-CD2 4.4Å; F397-W401 AromaticContact CZ-CE2 3.69Å; F397-W401 HydrophobicContact CZ-CG 4.32Å; F397-W401 HydrophobicContact CZ-CZ2 4.28Å; F397-W401 AromaticContact CZ-NE1 3.07Å; F397-W401 PolarHBondContact O-N 3.26Å; F397-F484 HydrophobicContact CD1-CD2 4.1Å; F397-F484 AromaticContact CD1-CE2 3.43Å; F397-F484 HydrophobicContact CD1-CE2 3.43Å; F397-F484 VanDerWaalsContact CD1-CE2 3.43Å; F397-F484 HydrophobicContact CD1-CZ 4.21Å; F397-F484 AromaticContact CE1-CD2 3.69Å; F397-F484 HydrophobicContact CE1-CD2 3.69Å; F397-F484 AromaticContact CE1-CE2 3.51Å; F397-F484 HydrophobicContact CE1-CE2 3.51Å; F397-F484 HydrophobicContact CE1-CZ 4.45Å; F397-M487 HydrophobicContact CZ-CB 3.86Å; F397-W488 HydrophobicContact CB-CE3 3.93Å; F397-W488 HydrophobicContact CB-CZ3 3.92Å; F397-W488 HydrophobicContact CD1-CB 4.12Å; F397-W488 HydrophobicContact CD1-CD2 4.4Å; F397-W488 AromaticContact CD1-CE3 3.6Å; F397-W488 HydrophobicContact CD1-CE3 3.6Å; F397-W488 HydrophobicContact CD1-CZ3 4.44Å; F397-W488 HydrophobicContact CE1-CB 3.77Å; F397-W488 HydrophobicContact CE1-CE3 4.26Å; F397-W488 AromaticContact CG-CE3 3.8Å; F397-W488 HydrophobicContact CG-CE3 3.8Å; F397-W488 HydrophobicContact CG-CZ3 4.25Å; F397-K491 HydrophobicContact CD2-CB 4.44Å; F397-K491 HydrophobicContact CD2-CG 4.13Å; F397-K491 HydrophobicContact CE2-CB 4.23Å; F397-K491 HydrophobicContact CE2-CG 4.35Å |
| 398 | Y | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.1 | -49.1 | 174.5 | 176.4 | -135.4 | 0 | 0 | 0 | 111.7 | W394 L395 A400 W401 L402 W480 F484 Y792 I795 N813 | W394-Y398 AromaticContact CH2-CD1 3.86Å; W394-Y398 HydrophobicContact CH2-CD1 3.86Å; W394-Y398 HydrophobicContact CH2-CE1 4.36Å; W394-Y398 HydrophobicContact CH2-CG 4.21Å; W394-Y398 HydrophobicContact CZ2-CG 4.47Å; W394-Y398 HydrophobicContact CZ3-CD1 4.09Å; W394-Y398 WeakPolarHBondContact O-CB 3.3Å; W394-Y398 PolarHBondContact O-N 3.02Å; L395-Y398 PolarHBondContact O-N 2.87Å; Y398-A400 VanDerWaalsContact C-N 3.34Å; Y398-A400 PolarHBondContact O-N 3Å; Y398-W401 PolarHBondContact O-N 3.03Å; Y398-W401 VanDerWaalsContact O-N 3.16Å; Y398-L402 HydrophobicContact CD1-CD1 4.37Å; Y398-L402 HydrophobicContact CD2-CD1 4.21Å; Y398-L402 HydrophobicContact CD2-CG 4.04Å; Y398-L402 HydrophobicContact CE1-CD1 3.93Å; Y398-L402 HydrophobicContact CE2-CD1 3.74Å; Y398-L402 HydrophobicContact CE2-CD2 3.84Å; Y398-L402 HydrophobicContact CE2-CG 3.69Å; Y398-L402 HydrophobicContact CG-CD1 4.49Å; Y398-L402 WeakPolarHBondContact O-CG 3.45Å; Y398-L402 PolarHBondContact O-N 2.93Å; Y398-W480 HydrophobicContact CD2-CH2 4.49Å; Y398-W480 HydrophobicContact CE2-CH2 4.1Å; Y398-F484 HydrophobicContact CD2-CE1 4.27Å; Y398-F484 HydrophobicContact CD2-CE2 4.15Å; Y398-F484 AromaticContact CD2-CZ 3.75Å; Y398-F484 HydrophobicContact CD2-CZ 3.75Å; Y398-F484 HydrophobicContact CG-CZ 4.23Å; Y398-Y792 HydrophobicContact CD2-CD2 4.33Å; Y398-Y792 AromaticContact CE2-CD2 3.69Å; Y398-Y792 HydrophobicContact CE2-CD2 3.69Å; Y398-Y792 HydrophobicContact CE2-CE2 4.43Å; Y398-I795 WeakPolarHBondContact OH-CD1 3.3Å; Y398-N813 WeakPolarHBondContact CD1-ND2 3.36Å; Y398-N813 WeakPolarHBondContact CE1-ND2 3.3Å |
| 399 | T | 92.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 7% | 0.074 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 112.3 | L395 W401 L402 L403 L810 N813 L814 I817 | L395-T399 WeakPolarHBondContact O-CB 3.4Å; L395-T399 PolarHBondContact O-N 3.48Å; L395-T399 PolarHBondContact O-OG1 3.23Å; T399-W401 VanDerWaalsContact C-N 3.34Å; T399-W401 PolarHBondContact O-N 3.02Å; T399-L402 PolarHBondContact O-N 3.28Å; T399-L403 PolarHBondContact O-N 3.03Å; T399-L810 HydrophobicContact CG2-CD1 3.74Å; T399-L810 VanDerWaalsContact O-CD1 3.24Å; T399-L810 WeakPolarHBondContact O-CD1 3.5Å; T399-N813 HydrophobicContact CG2-CB 4Å; T399-N813 VanDerWaalsContact OG1-CB 3.23Å; T399-N813 WeakPolarHBondContact OG1-CB 3.31Å; T399-N813 PolarHBondContact OG1-ND2 3.21Å; T399-L814 HydrophobicContact CG2-CD2 4.18Å; T399-L814 HydrophobicContact CG2-CG 4.41Å; T399-I817 HydrophobicContact CG2-CD1 4.35Å |
| 400 | A | 91.3 | Very high | 93.8 | Very high | 60 Ų | 60 | 25.7 Ų | 25.7 | 50% | 0.496 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.3 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G396 F397 Y398 L403 P404 | G396-A400 WeakPolarHBondContact O-CB 3.41Å; G396-A400 PolarHBondContact O-N 3.41Å; G396-A400 VanDerWaalsContact O-N 3.07Å; F397-A400 PolarHBondContact O-N 2.97Å; Y398-A400 VanDerWaalsContact C-N 3.34Å; Y398-A400 PolarHBondContact O-N 3Å; A400-L403 WeakPolarHBondContact O-CB 3.4Å; A400-P404 WeakPolarHBondContact O-CD 3.41Å |
| 401 | W | 93.3 | Very high | 93.8 | Very high | 60 Ų | 60 | 30.4 Ų | 30.4 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.5 | -23.1 | 177.5 | -87.4 | 71.8 | 0 | 0 | 0 | 113.9 | F397 Y398 T399 L403 P404 W480 I483 F484 M487 | F397-W401 AromaticContact CD2-CD1 3.98Å; F397-W401 AromaticContact CD2-NE1 3.98Å; F397-W401 AromaticContact CE1-CD1 3.76Å; F397-W401 HydrophobicContact CE1-CG 4.29Å; F397-W401 AromaticContact CE1-NE1 3.76Å; F397-W401 AromaticContact CE2-CD1 3.66Å; F397-W401 AromaticContact CE2-NE1 3.21Å; F397-W401 AromaticContact CZ-CD1 3.53Å; F397-W401 HydrophobicContact CZ-CD2 4.4Å; F397-W401 AromaticContact CZ-CE2 3.69Å; F397-W401 HydrophobicContact CZ-CG 4.32Å; F397-W401 HydrophobicContact CZ-CZ2 4.28Å; F397-W401 AromaticContact CZ-NE1 3.07Å; F397-W401 PolarHBondContact O-N 3.26Å; Y398-W401 PolarHBondContact O-N 3.03Å; Y398-W401 VanDerWaalsContact O-N 3.16Å; T399-W401 VanDerWaalsContact C-N 3.34Å; T399-W401 PolarHBondContact O-N 3.02Å; W401-L403 VanDerWaalsContact C-N 3.33Å; W401-P404 WeakPolarHBondContact O-CD 3.37Å; W401-P404 WeakPolarHBondContact O-CG 3.31Å; W401-W480 HydrophobicContact CB-CZ2 4.11Å; W401-W480 AromaticContact CE3-NE1 3.64Å; W401-W480 PolarHBondContact O-NE1 3.44Å; W401-W480 VanDerWaalsContact O-NE1 3.13Å; W401-I483 HydrophobicContact CH2-CG2 3.68Å; W401-I483 HydrophobicContact CZ3-CB 4.43Å; W401-I483 HydrophobicContact CZ3-CG2 3.72Å; W401-F484 HydrophobicContact CB-CD2 3.63Å; W401-F484 HydrophobicContact CB-CE2 4.04Å; W401-F484 AromaticContact CD2-CD2 3.97Å; W401-F484 HydrophobicContact CD2-CD2 3.97Å; W401-F484 HydrophobicContact CE3-CB 3.91Å; W401-F484 HydrophobicContact CE3-CD2 4.19Å; W401-F484 AromaticContact CG-CD2 3.72Å; W401-F484 HydrophobicContact CG-CD2 3.72Å; W401-F484 HydrophobicContact CG-CE2 4.28Å; W401-F484 HydrophobicContact CZ3-CB 4.38Å; W401-M487 HydrophobicContact CH2-CB 3.99Å; W401-M487 HydrophobicContact CH2-CG 3.67Å; W401-M487 HydrophobicContact CZ2-CB 3.65Å; W401-M487 HydrophobicContact CZ2-CE 4.14Å; W401-M487 HydrophobicContact CZ2-CG 3.71Å |
| 402 | L | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.9 | -29.7 | 169.9 | -77.2 | 176.8 | 0 | 0 | 0 | 112.3 | Y398 T399 I405 A406 W480 I795 P806 L810 N813 | Y398-L402 HydrophobicContact CD1-CD1 4.37Å; Y398-L402 HydrophobicContact CD2-CD1 4.21Å; Y398-L402 HydrophobicContact CD2-CG 4.04Å; Y398-L402 HydrophobicContact CE1-CD1 3.93Å; Y398-L402 HydrophobicContact CE2-CD1 3.74Å; Y398-L402 HydrophobicContact CE2-CD2 3.84Å; Y398-L402 HydrophobicContact CE2-CG 3.69Å; Y398-L402 HydrophobicContact CG-CD1 4.49Å; Y398-L402 WeakPolarHBondContact O-CG 3.45Å; Y398-L402 PolarHBondContact O-N 2.93Å; T399-L402 PolarHBondContact O-N 3.28Å; L402-I405 PolarHBondContact O-N 3.5Å; L402-A406 WeakPolarHBondContact O-CB 3.45Å; L402-A406 PolarHBondContact O-N 2.71Å; L402-W480 HydrophobicContact CD2-CH2 3.89Å; L402-W480 HydrophobicContact CD2-CZ2 4.09Å; L402-I795 HydrophobicContact CD2-CD1 4.36Å; L402-I795 HydrophobicContact CD2-CG2 4.04Å; L402-P806 HydrophobicContact CD2-CB 4.41Å; L402-L810 HydrophobicContact CB-CB 4.44Å; L402-L810 HydrophobicContact CB-CD1 4.17Å; L402-N813 WeakPolarHBondContact CD1-ND2 3.45Å |
| 403 | L | 92.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 33.4 Ų | 33.4 | 36% | 0.356 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -53.8 | -54.3 | -178.9 | -178.8 | 64.9 | 0 | 0 | 0 | 114.3 | T399 A400 W401 I405 A406 I407 L810 | T399-L403 PolarHBondContact O-N 3.03Å; A400-L403 WeakPolarHBondContact O-CB 3.4Å; W401-L403 VanDerWaalsContact C-N 3.33Å; L403-I405 VanDerWaalsContact C-N 3.27Å; L403-I405 PolarHBondContact O-N 3.07Å; L403-A406 PolarHBondContact O-N 3.27Å; L403-I407 HydrophobicContact CD1-CD1 4.26Å; L403-I407 HydrophobicContact CG-CD1 4.22Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3.41Å; L403-L810 HydrophobicContact CB-CD1 4.42Å; L403-L810 HydrophobicContact CD1-CD2 3.85Å |
| 404 | P | 93.2 | Very high | 93.3 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.8 | -34.6 | 179.2 | 24.1 | -34.9 | 0 | 0 | 0 | 112.7 | A400 W401 I407 L408 | A400-P404 WeakPolarHBondContact O-CD 3.41Å; W401-P404 WeakPolarHBondContact O-CD 3.37Å; W401-P404 WeakPolarHBondContact O-CG 3.31Å; P404-I407 PolarHBondContact O-N 3.16Å; P404-L408 PolarHBondContact O-N 3.08Å |
| 405 | I | 94.5 | Very high | 93.2 | Very high | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.8 | -38.9 | 177.8 | -68.5 | -52.8 | 0 | 0 | 0 | 111.8 | L402 L403 I407 L408 G409 F473 V476 M477 W480 P806 | L402-I405 PolarHBondContact O-N 3.5Å; L403-I405 VanDerWaalsContact C-N 3.27Å; L403-I405 PolarHBondContact O-N 3.07Å; I405-I407 VanDerWaalsContact C-N 3.31Å; I405-I407 PolarHBondContact O-N 3.31Å; I405-L408 PolarHBondContact O-N 3Å; I405-G409 PolarHBondContact O-N 3.07Å; I405-F473 HydrophobicContact CG2-CE2 4.1Å; I405-F473 HydrophobicContact CG2-CZ 3.87Å; I405-V476 HydrophobicContact CD1-CG1 4.28Å; I405-M477 HydrophobicContact CB-SD 4.2Å; I405-M477 HydrophobicContact CD1-SD 3.84Å; I405-M477 HydrophobicContact CG1-SD 3.95Å; I405-M477 HydrophobicContact CG2-CE 3.89Å; I405-M477 HydrophobicContact CG2-SD 3.18Å; I405-M477 WeakPolarHBondContact CG2-SD 3.43Å; I405-W480 HydrophobicContact CD1-CB 4.1Å; I405-W480 HydrophobicContact CD1-CD2 4.47Å; I405-W480 HydrophobicContact CD1-CG 3.77Å; I405-W480 HydrophobicContact CG1-CB 4.49Å; I405-W480 HydrophobicContact CG1-CD2 3.9Å; I405-W480 HydrophobicContact CG1-CG 3.67Å; I405-W480 HydrophobicContact CG1-CZ2 4.5Å; I405-P806 HydrophobicContact CB-CB 4.47Å; I405-P806 HydrophobicContact CG2-CB 3.58Å; I405-P806 HydrophobicContact CG2-CG 3.54Å |
| 406 | A | 94.8 | Very high | 93 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | L402 L403 G409 I410 P806 L807 L810 | L402-A406 WeakPolarHBondContact O-CB 3.45Å; L402-A406 PolarHBondContact O-N 2.71Å; L403-A406 PolarHBondContact O-N 3.27Å; A406-G409 PolarHBondContact O-N 2.88Å; A406-I410 VanDerWaalsContact O-CG1 3.28Å; A406-I410 WeakPolarHBondContact O-CG1 3.26Å; A406-I410 PolarHBondContact O-N 2.84Å; A406-P806 HydrophobicContact CB-CB 4.38Å; A406-L807 HydrophobicContact CB-CB 4.33Å; A406-L810 HydrophobicContact CB-CD2 4.07Å |
| 407 | I | 95.1 | Very high | 92.9 | Very high | 84 Ų | 84 | 46.1 Ų | 46.1 | 43% | 0.431 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 173.4 | -65.6 | 165.5 | 0 | 0 | 0 | 110.3 | L403 P404 I405 G409 I410 I411 | L403-I407 HydrophobicContact CD1-CD1 4.26Å; L403-I407 HydrophobicContact CG-CD1 4.22Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3.41Å; P404-I407 PolarHBondContact O-N 3.16Å; I405-I407 VanDerWaalsContact C-N 3.31Å; I405-I407 PolarHBondContact O-N 3.31Å; I407-G409 PolarHBondContact O-N 2.96Å; I407-I410 PolarHBondContact O-N 3.24Å; I407-I411 HydrophobicContact CG2-CD1 3.99Å; I407-I411 WeakPolarHBondContact O-CG1 3.47Å; I407-I411 PolarHBondContact O-N 2.82Å |
| 408 | L | 94.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 51.3 Ų | 51.3 | 29% | 0.293 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 177.4 | -176.2 | 60.6 | 0 | 0 | 0 | 112 | P404 I405 I410 I411 V412 F473 V476 | P404-L408 PolarHBondContact O-N 3.08Å; I405-L408 PolarHBondContact O-N 3Å; L408-I410 VanDerWaalsContact C-N 3.35Å; L408-I410 PolarHBondContact O-N 3.37Å; L408-I411 PolarHBondContact O-N 2.67Å; L408-I411 VanDerWaalsContact O-N 3.17Å; L408-V412 HydrophobicContact CD1-CG2 4.46Å; L408-V412 HydrophobicContact CG-CG2 4.49Å; L408-V412 VanDerWaalsContact O-CG2 3.26Å; L408-V412 WeakPolarHBondContact O-CG2 3.44Å; L408-V412 PolarHBondContact O-N 3.39Å; L408-F473 HydrophobicContact CB-CE2 4.05Å; L408-F473 HydrophobicContact CD2-CD2 3.67Å; L408-F473 HydrophobicContact CD2-CE2 3.79Å; L408-F473 HydrophobicContact CG-CD2 3.77Å; L408-F473 HydrophobicContact CG-CE2 3.8Å; L408-V476 HydrophobicContact CD2-CB 4.32Å; L408-V476 HydrophobicContact CD2-CG1 3.7Å |
| 409 | G | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | I405 A406 I407 F413 | I405-G409 PolarHBondContact O-N 3.07Å; A406-G409 PolarHBondContact O-N 2.88Å; I407-G409 PolarHBondContact O-N 2.96Å; G409-F413 VanDerWaalsContact O-CB 3.32Å; G409-F413 WeakPolarHBondContact O-CB 3.37Å; G409-F413 PolarHBondContact O-N 3.27Å |
| 410 | I | 94 | Very high | 92.2 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 171.9 | -68.2 | 163.7 | 0 | 0 | 0 | 110.6 | A406 I407 L408 V412 F413 L414 L804 L807 | A406-I410 VanDerWaalsContact O-CG1 3.28Å; A406-I410 WeakPolarHBondContact O-CG1 3.26Å; A406-I410 PolarHBondContact O-N 2.84Å; I407-I410 PolarHBondContact O-N 3.24Å; L408-I410 VanDerWaalsContact C-N 3.35Å; L408-I410 PolarHBondContact O-N 3.37Å; I410-V412 VanDerWaalsContact C-N 3.35Å; I410-V412 PolarHBondContact O-N 3.16Å; I410-F413 PolarHBondContact O-N 3.44Å; I410-L414 HydrophobicContact CG2-CD1 3.92Å; I410-L414 HydrophobicContact CG2-CG 4.19Å; I410-L414 WeakPolarHBondContact O-CB 3.48Å; I410-L414 VanDerWaalsContact O-CG 3.27Å; I410-L414 WeakPolarHBondContact O-CG 3.47Å; I410-L414 PolarHBondContact O-N 3.11Å; I410-L804 HydrophobicContact CG1-CD2 4.19Å; I410-L807 HydrophobicContact CD1-CD1 4.14Å; I410-L807 HydrophobicContact CD1-CD2 4.1Å; I410-L807 HydrophobicContact CG1-CD2 4.15Å |
| 411 | I | 94 | Very high | 91.8 | Very high | 100 Ų | 100 | 60.6 Ų | 60.6 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 178.5 | -67.5 | 165.4 | 0 | 0 | 0 | 110.7 | I407 L408 L414 F415 | I407-I411 HydrophobicContact CG2-CD1 3.99Å; I407-I411 WeakPolarHBondContact O-CG1 3.47Å; I407-I411 PolarHBondContact O-N 2.82Å; L408-I411 PolarHBondContact O-N 2.67Å; L408-I411 VanDerWaalsContact O-N 3.17Å; I411-L414 PolarHBondContact O-N 2.96Å; I411-F415 PolarHBondContact O-N 2.96Å |
| 412 | V | 93.1 | Very high | 91.5 | Very high | 13 Ų | 13 | 61.9 Ų | 61.9 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 176.7 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | L408 I410 L414 F415 G416 H467 F473 P803 | L408-V412 HydrophobicContact CD1-CG2 4.46Å; L408-V412 HydrophobicContact CG-CG2 4.49Å; L408-V412 VanDerWaalsContact O-CG2 3.26Å; L408-V412 WeakPolarHBondContact O-CG2 3.44Å; L408-V412 PolarHBondContact O-N 3.39Å; I410-V412 VanDerWaalsContact C-N 3.35Å; I410-V412 PolarHBondContact O-N 3.16Å; V412-L414 PolarHBondContact O-N 3.46Å; V412-F415 WeakPolarHBondContact O-CB 3.44Å; V412-F415 PolarHBondContact O-N 2.96Å; V412-G416 PolarHBondContact O-N 2.91Å; V412-H467 WeakPolarHBondContact CG1-NE2 3.24Å; V412-H467 PolarHBondContact O-CE1 2.87Å; V412-H467 VanDerWaalsContact O-CE1 3.3Å; V412-H467 PolarHBondContact O-NE2 2.88Å; V412-H467 VanDerWaalsContact O-NE2 3.11Å; V412-F473 HydrophobicContact CG1-CB 4.39Å; V412-F473 HydrophobicContact CG2-CB 4.07Å; V412-F473 HydrophobicContact CG2-CD2 4.42Å; V412-F473 HydrophobicContact CG2-CG 4.24Å; V412-P803 HydrophobicContact CG1-CB 4.36Å |
| 413 | F | 91.2 | Very high | 91.2 | Very high | 50 Ų | 50 | 62.3 Ų | 62.3 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177 | -174.9 | -97.2 | 0 | 0 | 0 | 113.3 | G409 I410 G416 L417 L464 L804 | G409-F413 VanDerWaalsContact O-CB 3.32Å; G409-F413 WeakPolarHBondContact O-CB 3.37Å; G409-F413 PolarHBondContact O-N 3.27Å; I410-F413 PolarHBondContact O-N 3.44Å; F413-G416 PolarHBondContact O-N 3.27Å; F413-L417 HydrophobicContact CD1-CD1 4.1Å; F413-L417 HydrophobicContact CD1-CG 4.48Å; F413-L417 HydrophobicContact CE1-CD1 3.79Å; F413-L417 HydrophobicContact CE1-CG 4.2Å; F413-L417 PolarHBondContact O-N 3.14Å; F413-L464 HydrophobicContact CD2-CD1 4.29Å; F413-L464 HydrophobicContact CD2-CG 4.35Å; F413-L464 HydrophobicContact CE2-CD1 4.04Å; F413-L464 HydrophobicContact CE2-CD2 3.65Å; F413-L464 HydrophobicContact CE2-CG 3.83Å; F413-L464 HydrophobicContact CZ-CD1 4.29Å; F413-L464 HydrophobicContact CZ-CD2 3.76Å; F413-L464 HydrophobicContact CZ-CG 4.3Å; F413-L804 HydrophobicContact CB-CD2 3.92Å; F413-L804 HydrophobicContact CB-CG 4.28Å; F413-L804 HydrophobicContact CD1-CD1 4.17Å; F413-L804 HydrophobicContact CD1-CD2 4.35Å; F413-L804 HydrophobicContact CD2-CD1 3.84Å; F413-L804 HydrophobicContact CD2-CD2 4.44Å; F413-L804 HydrophobicContact CD2-CG 3.96Å; F413-L804 HydrophobicContact CE1-CD1 4.16Å; F413-L804 HydrophobicContact CE2-CD1 3.83Å; F413-L804 HydrophobicContact CE2-CG 4.42Å; F413-L804 HydrophobicContact CG-CD1 4Å; F413-L804 HydrophobicContact CG-CD2 3.99Å; F413-L804 HydrophobicContact CG-CG 4.02Å; F413-L804 HydrophobicContact CZ-CD1 3.98Å |
| 414 | L | 92 | Very high | 91 | Very high | 92 Ų | 92 | 60.5 Ų | 60.5 | 48% | 0.482 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 174.9 | -71.7 | 175 | 0 | 0 | 0 | 111.7 | I410 I411 V412 G416 L417 L418 | I410-L414 HydrophobicContact CG2-CD1 3.92Å; I410-L414 HydrophobicContact CG2-CG 4.19Å; I410-L414 WeakPolarHBondContact O-CB 3.48Å; I410-L414 VanDerWaalsContact O-CG 3.27Å; I410-L414 WeakPolarHBondContact O-CG 3.47Å; I410-L414 PolarHBondContact O-N 3.11Å; I411-L414 PolarHBondContact O-N 2.96Å; V412-L414 PolarHBondContact O-N 3.46Å; L414-G416 VanDerWaalsContact C-N 3.33Å; L414-L417 HydrophobicContact CD2-CD1 4.17Å; L414-L417 WeakPolarHBondContact O-CB 3.32Å; L414-L417 PolarHBondContact O-N 3.01Å; L414-L418 WeakPolarHBondContact O-CG 3.18Å; L414-L418 PolarHBondContact O-N 3.29Å; L414-L418 VanDerWaalsContact O-N 3.12Å |
| 415 | F | 91 | Very high | 90.8 | Very high | 114 Ų | 114 | 57.8 Ų | 57.8 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 172.5 | -177.4 | -88.2 | 0 | 0 | 0 | 110.9 | I411 V412 L417 L418 D419 H467 | I411-F415 PolarHBondContact O-N 2.96Å; V412-F415 WeakPolarHBondContact O-CB 3.44Å; V412-F415 PolarHBondContact O-N 2.96Å; F415-L417 VanDerWaalsContact C-N 3.31Å; F415-L417 PolarHBondContact O-N 2.94Å; F415-L418 PolarHBondContact O-N 2.84Å; F415-L418 VanDerWaalsContact O-N 3.16Å; F415-D419 PolarHBondContact O-N 2.99Å; F415-H467 AromaticContact CD1-CE1 3.73Å; F415-H467 AromaticContact CD1-ND1 3.57Å |
| 416 | G | 89.4 | Confident | 90.7 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.2 | -48.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V412 F413 L414 L418 D419 L420 | V412-G416 PolarHBondContact O-N 2.91Å; F413-G416 PolarHBondContact O-N 3.27Å; L414-G416 VanDerWaalsContact C-N 3.33Å; G416-L418 VanDerWaalsContact C-N 3.32Å; G416-L418 PolarHBondContact O-N 2.89Å; G416-D419 PolarHBondContact O-N 2.77Å; G416-L420 WeakPolarHBondContact O-CD1 3.16Å; G416-L420 PolarHBondContact O-N 3.08Å |
| 417 | L | 90.2 | Very high | 90.5 | Very high | 86 Ų | 86 | 61.8 Ų | 61.8 | 45% | 0.45 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58 | -37.5 | 177.6 | -76 | 173.4 | 0 | 0 | 0 | 114 | F413 L414 F415 L420 L464 | F413-L417 HydrophobicContact CD1-CD1 4.1Å; F413-L417 HydrophobicContact CD1-CG 4.48Å; F413-L417 HydrophobicContact CE1-CD1 3.79Å; F413-L417 HydrophobicContact CE1-CG 4.2Å; F413-L417 PolarHBondContact O-N 3.14Å; L414-L417 HydrophobicContact CD2-CD1 4.17Å; L414-L417 WeakPolarHBondContact O-CB 3.32Å; L414-L417 PolarHBondContact O-N 3.01Å; F415-L417 VanDerWaalsContact C-N 3.31Å; F415-L417 PolarHBondContact O-N 2.94Å; L417-L420 VanDerWaalsContact CA-CD1 3.42Å; L417-L420 HydrophobicContact CD2-CD1 4.29Å; L417-L464 HydrophobicContact CB-CD1 4.33Å; L417-L464 HydrophobicContact CD2-CD1 3.65Å; L417-L464 HydrophobicContact CD2-CD2 4.22Å; L417-L464 HydrophobicContact CG-CD1 3.64Å |
| 418 | L | 90.2 | Very high | 90.3 | Very high | 139 Ų | 139 | 58.9 Ų | 58.9 | 73% | 0.728 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -74 | -37.1 | 178.5 | -65.4 | 173.3 | 0 | 0 | 0 | 112 | L414 F415 G416 L420 | L414-L418 WeakPolarHBondContact O-CG 3.18Å; L414-L418 PolarHBondContact O-N 3.29Å; L414-L418 VanDerWaalsContact O-N 3.12Å; F415-L418 PolarHBondContact O-N 2.84Å; F415-L418 VanDerWaalsContact O-N 3.16Å; G416-L418 VanDerWaalsContact C-N 3.32Å; G416-L418 PolarHBondContact O-N 2.89Å; L418-L420 VanDerWaalsContact C-N 3.32Å; L418-L420 PolarHBondContact O-N 2.99Å |
| 419 | D | 88 | Confident | 90.1 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 22% | 0.219 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.7 | -23.6 | -178.3 | -161.6 | 32.2 | 0 | 0 | 0 | 112.8 | F415 G416 K421 S422 D423 R463 | F415-D419 PolarHBondContact O-N 2.99Å; G416-D419 PolarHBondContact O-N 2.77Å; D419-K421 PolarHBondContact O-N 3.16Å; D419-K421 VanDerWaalsContact O-N 3.08Å; D419-S422 PolarHBondContact O-N 2.83Å; D419-S422 VanDerWaalsContact O-N 3.15Å; D419-S422 PolarHBondContact O-OG 3.17Å; D419-S422 PolarHBondContact OD1-OG 2.98Å; D419-D423 PolarHBondContact O-N 2.86Å; D419-R463 IonicContact OD2-CZ 3.72Å; D419-R463 IonicContact OD2-NH1 3.4Å; D419-R463 IonicContact OD2-NH2 3.6Å; D419-R463 PolarHBondContact OD2-NH2 3.44Å; D419-R463 VanDerWaalsContact OD2-NH2 3.16Å |
| 420 | L | 87.4 | Confident | 90 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 20% | 0.199 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.8 | -178.7 | -81.8 | 108.2 | 0 | 0 | 0 | 114.3 | G416 L417 L418 I426 K460 L464 | G416-L420 WeakPolarHBondContact O-CD1 3.16Å; G416-L420 PolarHBondContact O-N 3.08Å; L417-L420 VanDerWaalsContact CA-CD1 3.42Å; L417-L420 HydrophobicContact CD2-CD1 4.29Å; L418-L420 VanDerWaalsContact C-N 3.32Å; L418-L420 PolarHBondContact O-N 2.99Å; L420-I426 HydrophobicContact CB-CD1 4.1Å; L420-I426 HydrophobicContact CD2-CD1 4.14Å; L420-I426 HydrophobicContact CG-CD1 4.09Å; L420-I426 WeakPolarHBondContact O-CD1 3.29Å; L420-K460 HydrophobicContact CD2-CB 3.83Å; L420-K460 HydrophobicContact CD2-CG 4.17Å; L420-K460 WeakPolarHBondContact CD2-O 3.45Å; L420-L464 HydrophobicContact CD1-CB 3.97Å; L420-L464 HydrophobicContact CD1-CD1 3.74Å; L420-L464 HydrophobicContact CD1-CG 4.39Å |
| 421 | K | 84.1 | Confident | 89.8 | Confident | 187 Ų | 187 | 59.4 Ų | 59.4 | 81% | 0.813 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -26.9 | -176.3 | -169.5 | 178.9 | 176.9 | -174.3 | 0 | 112.4 | D419 H427 | D419-K421 PolarHBondContact O-N 3.16Å; D419-K421 VanDerWaalsContact O-N 3.08Å; K421-H427 PolarHBondContact O-NE2 3.42Å |
| 422 | S | 85.3 | Confident | 89.6 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 61% | 0.608 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -7.1 | -175.2 | 41.8 | 0 | 0 | 0 | 0 | 114.1 | D419 S424 | D419-S422 PolarHBondContact O-N 2.83Å; D419-S422 VanDerWaalsContact O-N 3.15Å; D419-S422 PolarHBondContact O-OG 3.17Å; D419-S422 PolarHBondContact OD1-OG 2.98Å; S422-S424 PolarHBondContact O-N 3.25Å |
| 423 | D | 87.2 | Confident | 89.3 | Confident | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | trans | -73.7 | 121.1 | -172.3 | -161.2 | -40.2 | 0 | 0 | 0 | 113 | D419 I425 I426 H427 R463 | D419-D423 PolarHBondContact O-N 2.86Å; D423-I425 VanDerWaalsContact C-N 3.28Å; D423-I425 PolarHBondContact O-N 2.82Å; D423-I425 WeakPolarHBondContact OD1-CB 3.32Å; D423-I425 PolarHBondContact OD1-N 3.39Å; D423-I426 HydrophobicContact CB-CB 4.28Å; D423-I426 HydrophobicContact CB-CD1 3.9Å; D423-I426 HydrophobicContact CB-CG1 4Å; D423-I426 PolarHBondContact O-N 3.14Å; D423-H427 PolarHBondContact O-CD2 3.2Å; D423-H427 VanDerWaalsContact O-CD2 3.24Å; D423-H427 PolarHBondContact O-N 3.31Å; D423-R463 WeakPolarHBondContact OD2-CD 3.48Å; D423-R463 WeakPolarHBondContact OD2-CG 3.4Å; D423-R463 IonicContact OD2-CZ 3.73Å; D423-R463 IonicContact OD2-NE 2.8Å; D423-R463 PolarHBondContact OD2-NE 3.2Å; D423-R463 IonicContact OD2-NH2 3.03Å; D423-R463 PolarHBondContact OD2-NH2 3.12Å | ||
| 424 | S | 88.9 | Confident | 89.1 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -31.6 | 177.8 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | S422 I426 H427 E428 M883 | S422-S424 PolarHBondContact O-N 3.25Å; S424-I426 VanDerWaalsContact C-N 3.34Å; S424-H427 PolarHBondContact O-N 3.11Å; S424-E428 WeakPolarHBondContact O-CG 3.17Å; S424-E428 PolarHBondContact O-N 3.19Å; S424-M883 WeakPolarHBondContact OG-CB 3.38Å |
| 425 | I | 89.6 | Confident | 89 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 179.6 | -59.3 | 173.5 | 0 | 0 | 0 | 110 | D423 H427 E428 V429 R870 M883 F886 V887 | D423-I425 VanDerWaalsContact C-N 3.28Å; D423-I425 PolarHBondContact O-N 2.82Å; D423-I425 WeakPolarHBondContact OD1-CB 3.32Å; D423-I425 PolarHBondContact OD1-N 3.39Å; I425-H427 VanDerWaalsContact C-N 3.33Å; I425-E428 PolarHBondContact O-N 3.39Å; I425-V429 WeakPolarHBondContact O-CG2 3.25Å; I425-V429 PolarHBondContact O-N 3.48Å; I425-R870 HydrophobicContact CD1-CG 4.44Å; I425-M883 HydrophobicContact CD1-CE 4Å; I425-F886 HydrophobicContact CD1-CD1 3.75Å; I425-F886 HydrophobicContact CD1-CE1 4.21Å; I425-F886 HydrophobicContact CD1-CG 4.44Å; I425-F886 HydrophobicContact CG1-CD1 4.11Å; I425-V887 HydrophobicContact CG2-CG2 3.98Å |
| 426 | I | 91 | Very high | 88.9 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176.8 | -65.9 | 176.1 | 0 | 0 | 0 | 109.8 | L420 D423 S424 V429 C430 K460 R463 | L420-I426 HydrophobicContact CB-CD1 4.1Å; L420-I426 HydrophobicContact CD2-CD1 4.14Å; L420-I426 HydrophobicContact CG-CD1 4.09Å; L420-I426 WeakPolarHBondContact O-CD1 3.29Å; D423-I426 HydrophobicContact CB-CB 4.28Å; D423-I426 HydrophobicContact CB-CD1 3.9Å; D423-I426 HydrophobicContact CB-CG1 4Å; D423-I426 PolarHBondContact O-N 3.14Å; S424-I426 VanDerWaalsContact C-N 3.34Å; I426-V429 PolarHBondContact O-N 3.38Å; I426-C430 VanDerWaalsContact O-CB 3.23Å; I426-C430 WeakPolarHBondContact O-CB 3.29Å; I426-C430 PolarHBondContact O-N 3.41Å; I426-C430 PolarHBondContact O-SG 3.02Å; I426-C430 VanDerWaalsContact O-SG 3.34Å; I426-K460 HydrophobicContact CD1-CG 4.4Å; I426-K460 HydrophobicContact CG2-CG 3.97Å; I426-R463 HydrophobicContact CD1-CB 4.16Å; I426-R463 HydrophobicContact CD1-CG 4.21Å; I426-R463 HydrophobicContact CG1-CB 4.41Å; I426-R463 HydrophobicContact CG1-CG 4.45Å |
| 427 | H | 91 | Very high | 88.8 | Confident | 88 Ų | 88 | 64.5 Ų | 64.5 | 41% | 0.407 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.3 | -74.6 | -66.5 | 0 | 0 | 0 | 112.7 | K421 D423 S424 I425 V429 D431 L432 | K421-H427 PolarHBondContact O-NE2 3.42Å; D423-H427 PolarHBondContact O-CD2 3.2Å; D423-H427 VanDerWaalsContact O-CD2 3.24Å; D423-H427 PolarHBondContact O-N 3.31Å; S424-H427 PolarHBondContact O-N 3.11Å; I425-H427 VanDerWaalsContact C-N 3.33Å; H427-V429 VanDerWaalsContact C-N 3.34Å; H427-V429 PolarHBondContact O-N 2.97Å; H427-D431 IonicContact CE1-OD2 2.99Å; H427-D431 IonicContact CG-OD2 3.4Å; H427-D431 IonicContact ND1-OD2 3.34Å; H427-D431 PolarHBondContact ND1-OD2 3.1Å; H427-D431 WeakPolarHBondContact O-CB 3.2Å; H427-D431 PolarHBondContact O-N 3.49Å; H427-L432 PolarHBondContact O-N 3.08Å |
| 428 | E | 91.2 | Very high | 88.6 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.3 | -78.1 | 174.6 | -157 | 0 | 0 | 113.1 | S424 I425 L432 G433 K884 G885 F886 V887 | S424-E428 WeakPolarHBondContact O-CG 3.17Å; S424-E428 PolarHBondContact O-N 3.19Å; I425-E428 PolarHBondContact O-N 3.39Å; E428-L432 HydrophobicContact CG-CD1 4.23Å; E428-L432 CarbonylContact O-C 3.53Å; E428-L432 WeakPolarHBondContact O-CB 3.49Å; E428-G433 PolarHBondContact O-N 3.09Å; E428-G433 VanDerWaalsContact O-N 3.08Å; E428-K884 VanDerWaalsContact OE1-CA 3.28Å; E428-K884 WeakPolarHBondContact OE1-CA 3.36Å; E428-G885 PolarHBondContact OE1-N 2.87Å; E428-F886 PolarHBondContact OE2-N 3.1Å; E428-V887 HydrophobicContact CB-CB 4.26Å; E428-V887 HydrophobicContact CB-CG2 3.82Å; E428-V887 WeakPolarHBondContact OE2-CB 3.18Å; E428-V887 WeakPolarHBondContact OE2-CG2 3.48Å; E428-V887 PolarHBondContact OE2-N 3.09Å; E428-V887 VanDerWaalsContact OE2-N 3.12Å |
| 429 | V | 90 | Very high | 88.4 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -81 | -45.9 | 179.6 | 171 | 0 | 0 | 0 | 0 | 112 | I425 I426 H427 G433 L452 D453 T459 V887 | I425-V429 WeakPolarHBondContact O-CG2 3.25Å; I425-V429 PolarHBondContact O-N 3.48Å; I426-V429 PolarHBondContact O-N 3.38Å; H427-V429 VanDerWaalsContact C-N 3.34Å; H427-V429 PolarHBondContact O-N 2.97Å; V429-G433 VanDerWaalsContact O-CA 3.28Å; V429-G433 WeakPolarHBondContact O-CA 3.21Å; V429-G433 PolarHBondContact O-N 2.84Å; V429-L452 HydrophobicContact CG1-CG 4.18Å; V429-L452 HydrophobicContact CG2-CD2 4.24Å; V429-L452 HydrophobicContact CG2-CG 4.46Å; V429-D453 WeakPolarHBondContact O-CA 3.27Å; V429-T459 HydrophobicContact CB-CG2 4.26Å; V429-T459 HydrophobicContact CG1-CG2 4.31Å; V429-T459 HydrophobicContact CG2-CG2 4.1Å; V429-V887 HydrophobicContact CG2-CG2 4.03Å |
| 430 | C | 91.1 | Very high | 87.9 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 12% | 0.122 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -81.9 | -40.1 | -172.4 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | I426 C456 | I426-C430 VanDerWaalsContact O-CB 3.23Å; I426-C430 WeakPolarHBondContact O-CB 3.29Å; I426-C430 PolarHBondContact O-N 3.41Å; I426-C430 PolarHBondContact O-SG 3.02Å; I426-C430 VanDerWaalsContact O-SG 3.34Å; C430-C456 HydrophobicContact CB-CB 3.91Å; C430-C456 WeakPolarHBondContact CB-SG 3.46Å; C430-C456 WeakPolarHBondContact SG-CB 3.42Å; C430-C456 CovalentContact SG-SG 2.04Å; C430-C456 PolarHBondContact SG-SG 2.88Å |
| 431 | D | 90.4 | Very high | 87 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -45.7 | -173.4 | -55.1 | -29.6 | 0 | 0 | 0 | 110.9 | H427 | H427-D431 IonicContact CE1-OD2 2.99Å; H427-D431 IonicContact CG-OD2 3.4Å; H427-D431 IonicContact ND1-OD2 3.34Å; H427-D431 PolarHBondContact ND1-OD2 3.1Å; H427-D431 WeakPolarHBondContact O-CB 3.2Å; H427-D431 PolarHBondContact O-N 3.49Å |
| 432 | L | 89.7 | Confident | 86.3 | Confident | 105 Ų | 105 | 46.9 Ų | 46.9 | 55% | 0.55 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -88.3 | -15.4 | -179.7 | -66.6 | 166.6 | 0 | 0 | 0 | 113.4 | H427 E428 Q434 N435 | H427-L432 PolarHBondContact O-N 3.08Å; E428-L432 HydrophobicContact CG-CD1 4.23Å; E428-L432 CarbonylContact O-C 3.53Å; E428-L432 WeakPolarHBondContact O-CB 3.49Å; L432-Q434 PolarHBondContact O-N 3.15Å; L432-N435 PolarHBondContact O-N 3.07Å |
| 433 | G | 87.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -67.9 | -14.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E428 V429 N435 I436 L452 | E428-G433 PolarHBondContact O-N 3.09Å; E428-G433 VanDerWaalsContact O-N 3.08Å; V429-G433 VanDerWaalsContact O-CA 3.28Å; V429-G433 WeakPolarHBondContact O-CA 3.21Å; V429-G433 PolarHBondContact O-N 2.84Å; G433-N435 PolarHBondContact O-N 3.01Å; G433-I436 PolarHBondContact O-N 3.47Å; G433-L452 PolarHBondContact O-N 3.32Å |
| 434 | Q | 87 | Confident | 84.9 | Confident | 119 Ų | 119 | 47.6 Ų | 47.6 | 56% | 0.556 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -61.8 | -29.5 | 174.7 | -68.4 | -175.1 | -10 | 0 | 0 | 112.5 | L432 D453 | L432-Q434 PolarHBondContact O-N 3.15Å; Q434-D453 HydrophobicContact CG-CB 3.84Å |
| 435 | N | 88.4 | Confident | 84 | Confident | 134 Ų | 134 | 50 Ų | 50 | 72% | 0.717 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -88.3 | -3 | -179.6 | -66.4 | -25.9 | 0 | 0 | 0 | 113.4 | L432 G433 | L432-N435 PolarHBondContact O-N 3.07Å; G433-N435 PolarHBondContact O-N 3.01Å |
| 436 | I | 88.9 | Confident | 83.1 | Confident | 33 Ų | 33 | 56 Ų | 56 | 17% | 0.169 | 29% | 0.288 | C | S | . | . | trans | -110.7 | 104.5 | -174.1 | -44.7 | -176.6 | 0 | 0 | 0 | 109.9 | G433 M438 L452 L891 R909 | G433-I436 PolarHBondContact O-N 3.47Å; I436-M438 HydrophobicContact CB-CE 4.05Å; I436-M438 HydrophobicContact CG2-CE 3.21Å; I436-L452 HydrophobicContact CB-CB 4.22Å; I436-L452 HydrophobicContact CB-CD2 4.44Å; I436-L452 HydrophobicContact CD1-CD2 4.02Å; I436-L452 PolarHBondContact O-N 2.91Å; I436-L452 VanDerWaalsContact O-N 3.16Å; I436-L891 HydrophobicContact CG2-CD1 4.18Å; I436-R909 HydrophobicContact CG2-CB 4.22Å; I436-R909 HydrophobicContact CG2-CG 3.74Å | ||
| 437 | Y | 88.2 | Confident | 82.2 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.4 | 177.3 | -64.6 | -84.1 | 0 | 0 | 0 | 111.9 | T451 E905 C908 R909 | Y437-T451 HydrophobicContact CD1-CG2 4.21Å; Y437-T451 HydrophobicContact CE1-CG2 4.22Å; Y437-E905 HydrophobicContact CD1-CG 4.39Å; Y437-E905 HydrophobicContact CD2-CG 3.6Å; Y437-E905 HydrophobicContact CE1-CG 4.32Å; Y437-E905 HydrophobicContact CE2-CG 3.51Å; Y437-E905 WeakPolarHBondContact CE2-OE1 3.37Å; Y437-E905 HydrophobicContact CG-CG 4.03Å; Y437-C908 CarbonylContact O-C 3.59Å; Y437-C908 WeakPolarHBondContact O-CA 3.43Å; Y437-R909 PolarHBondContact O-N 3.46Å |
| 438 | M | 86.3 | Confident | 81.6 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 145.2 | 179.6 | -64.1 | -71.9 | 129.7 | 0 | 0 | 111.5 | I436 W450 L452 L891 R909 | I436-M438 HydrophobicContact CB-CE 4.05Å; I436-M438 HydrophobicContact CG2-CE 3.21Å; M438-W450 HydrophobicContact CB-CD2 3.54Å; M438-W450 HydrophobicContact CB-CE3 3.9Å; M438-W450 HydrophobicContact CB-CG 4.13Å; M438-W450 HydrophobicContact CB-CH2 3.66Å; M438-W450 HydrophobicContact CB-CZ2 3.3Å; M438-W450 HydrophobicContact CB-CZ3 3.94Å; M438-W450 WeakPolarHBondContact CB-O 3.37Å; M438-W450 HydrophobicContact CG-CD2 4.1Å; M438-W450 HydrophobicContact CG-CE3 3.91Å; M438-W450 HydrophobicContact CG-CH2 3.41Å; M438-W450 VanDerWaalsContact CG-CH2 3.41Å; M438-W450 HydrophobicContact CG-CZ2 3.64Å; M438-W450 HydrophobicContact CG-CZ3 3.56Å; M438-W450 PolarHBondContact N-O 2.9Å; M438-W450 HydrophobicContact SD-CH2 4.16Å; M438-W450 HydrophobicContact SD-CZ2 4.41Å; M438-L452 HydrophobicContact CE-CB 4.1Å; M438-L452 HydrophobicContact CE-CD1 4.14Å; M438-L452 HydrophobicContact CE-CD2 4.25Å; M438-L452 HydrophobicContact CE-CG 4.39Å; M438-L452 HydrophobicContact CG-CB 4.36Å; M438-L452 HydrophobicContact CG-CD1 4.34Å; M438-L452 HydrophobicContact SD-CD1 4.25Å; M438-L891 HydrophobicContact CE-CD1 3.71Å; M438-L891 HydrophobicContact CE-CD2 4.06Å; M438-L891 HydrophobicContact SD-CD2 4.07Å; M438-R909 WeakPolarHBondContact CA-O 3.45Å; M438-R909 HydrophobicContact CE-CB 3.47Å; M438-R909 VanDerWaalsContact CE-CB 3.47Å; M438-R909 HydrophobicContact CE-CG 4.25Å; M438-R909 HydrophobicContact SD-CB 4.03Å |
| 439 | C | 85 | Confident | 81.1 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 142 | 179.6 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | W450 P668 F899 C908 R909 | C439-W450 PolarHBondContact O-NE1 3.4Å; C439-W450 VanDerWaalsContact O-NE1 3.1Å; C439-P668 HydrophobicContact CB-CB 4.18Å; C439-F899 HydrophobicContact CB-CE2 4.23Å; C439-F899 HydrophobicContact CB-CZ 3.93Å; C439-C908 VanDerWaalsContact CA-SG 3.53Å; C439-C908 HydrophobicContact CB-CB 4.01Å; C439-C908 WeakPolarHBondContact CB-SG 3.44Å; C439-C908 VanDerWaalsContact SG-C 3.5Å; C439-C908 WeakPolarHBondContact SG-CB 3.43Å; C439-C908 CovalentContact SG-SG 2.04Å; C439-C908 PolarHBondContact SG-SG 3.45Å; C439-R909 PolarHBondContact N-O 3.11Å; C439-R909 PolarHBondContact SG-O 2.86Å; C439-R909 VanDerWaalsContact SG-O 3.36Å |
| 440 | P | 77.9 | Confident | 80.8 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 146.2 | 170.7 | 29.6 | -34 | 0 | 0 | 0 | 110.2 | C442 C447 F449 F899 | P440-C442 PolarHBondContact O-N 2.99Å; P440-C447 HydrophobicContact CB-CB 4.02Å; P440-F449 VanDerWaalsContact CD-CE1 3.43Å; P440-F449 HydrophobicContact CG-CD1 4.45Å; P440-F449 HydrophobicContact CG-CE1 4.24Å; P440-F899 HydrophobicContact CG-CD1 3.69Å; P440-F899 HydrophobicContact CG-CE1 4Å; P440-F899 HydrophobicContact CG-CG 4.08Å; P440-F899 WeakPolarHBondContact O-CE1 3.4Å |
| 441 | L | 68.4 | Low | 80.6 | Confident | 70 Ų | 70 | 62 Ų | 62 | 37% | 0.366 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -70.7 | -13.1 | 176.5 | -65.7 | 173.9 | 0 | 0 | 0 | 113 | Y581 | L441-Y581 HydrophobicContact CD1-CE2 3.81Š|
| 442 | C | 71 | Confident | 80.4 | Confident | 34 Ų | 34 | 58 Ų | 58 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | trans | -126 | 141.7 | -174.7 | 29.8 | 0 | 0 | 0 | 0 | 111.4 | P440 C447 | P440-C442 PolarHBondContact O-N 2.99Å; C442-C447 HydrophobicContact CB-CB 4.13Å; C442-C447 WeakPolarHBondContact CB-SG 3.48Å; C442-C447 WeakPolarHBondContact SG-CB 3.35Å; C442-C447 CovalentContact SG-SG 2.01Å; C442-C447 PolarHBondContact SG-SG 2.83Å | ||
| 443 | K | 70.1 | Confident | 80.3 | Confident | 73 Ų | 73 | 55 Ų | 55 | 32% | 0.317 | 28% | 0.275 | S | S | . | . | trans | -70.5 | -29.8 | 177.8 | -168.3 | -178 | 179.1 | -169.3 | 0 | 113.4 | E671 D900 | K443-E671 IonicContact NZ-OE1 2.65Å; K443-E671 PolarHBondContact NZ-OE1 3.28Å; K443-D900 PolarHBondContact O-N 3.07Å | ||
| 444 | S | 71.4 | Confident | 80.1 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -61.2 | 141.7 | -171.3 | -176.8 | 0 | 0 | 0 | 0 | 113.3 | K446 C447 | S444-K446 PolarHBondContact O-N 3.4Å; S444-C447 WeakPolarHBondContact O-CB 3.45Å; S444-C447 PolarHBondContact O-N 3.32Å |
| 445 | S | 69.9 | Low | 79.9 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 57% | 0.573 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -16 | 177.9 | 59.3 | 0 | 0 | 0 | 0 | 116.1 | C447 D900 | S445-C447 VanDerWaalsContact C-N 3.32Å; S445-D900 WeakPolarHBondContact CB-O 3.45Å |
| 446 | K | 70.3 | Confident | 79.9 | Confident | 140 Ų | 140 | 47.4 Ų | 47.4 | 61% | 0.609 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -14.5 | 175.7 | -66.1 | -171.8 | 178.6 | -176.2 | 0 | 113.6 | S444 R582 | S444-K446 PolarHBondContact O-N 3.4Å; K446-R582 HydrophobicContact CB-CG 4.36Å |
| 447 | C | 73.1 | Confident | 79.7 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | trans | -86.8 | 137.6 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | P440 C442 S444 S445 V901 | P440-C447 HydrophobicContact CB-CB 4.02Å; C442-C447 HydrophobicContact CB-CB 4.13Å; C442-C447 WeakPolarHBondContact CB-SG 3.48Å; C442-C447 WeakPolarHBondContact SG-CB 3.35Å; C442-C447 CovalentContact SG-SG 2.01Å; C442-C447 PolarHBondContact SG-SG 2.83Å; S444-C447 WeakPolarHBondContact O-CB 3.45Å; S444-C447 PolarHBondContact O-N 3.32Å; S445-C447 VanDerWaalsContact C-N 3.32Å; C447-V901 VanDerWaalsContact O-CG1 3.23Å; C447-V901 WeakPolarHBondContact O-CG1 3.33Å; C447-V901 WeakPolarHBondContact O-CG2 3.41Å | ||
| 448 | K | 77.6 | Confident | 79.4 | Confident | 133 Ų | 133 | 48.5 Ų | 48.5 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | trans | -105 | 147.9 | 179 | -66.1 | -178.6 | 179.7 | 178.9 | 0 | 109.9 | ||||
| 449 | F | 82.2 | Confident | 79.4 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | trans | -61.2 | 146.2 | 163.4 | -66.2 | -86.6 | 0 | 0 | 0 | 109 | P440 T896 F899 V901 T903 C908 | P440-F449 VanDerWaalsContact CD-CE1 3.43Å; P440-F449 HydrophobicContact CG-CD1 4.45Å; P440-F449 HydrophobicContact CG-CE1 4.24Å; F449-T896 HydrophobicContact CE1-CG2 4Å; F449-T896 HydrophobicContact CZ-CG2 4.05Å; F449-F899 HydrophobicContact CE1-CD2 4.5Å; F449-F899 HydrophobicContact CZ-CB 4.42Å; F449-F899 HydrophobicContact CZ-CD2 4.44Å; F449-V901 HydrophobicContact CD2-CB 4.3Å; F449-V901 HydrophobicContact CD2-CG1 3.7Å; F449-V901 HydrophobicContact CE2-CB 3.63Å; F449-V901 HydrophobicContact CE2-CG1 3.52Å; F449-V901 HydrophobicContact CZ-CB 4.33Å; F449-T903 HydrophobicContact CD2-CG2 4.09Å; F449-T903 HydrophobicContact CE2-CG2 3.39Å; F449-T903 HydrophobicContact CZ-CG2 3.67Å; F449-C908 HydrophobicContact CD1-CB 4.18Å; F449-C908 HydrophobicContact CE1-CB 3.98Å | ||
| 450 | W | 82.4 | Confident | 79.6 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 22% | 0.223 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.5 | -179.5 | 59.4 | -79 | 0 | 0 | 0 | 109.4 | M438 C439 L452 S455 Q682 | M438-W450 HydrophobicContact CB-CD2 3.54Å; M438-W450 HydrophobicContact CB-CE3 3.9Å; M438-W450 HydrophobicContact CB-CG 4.13Å; M438-W450 HydrophobicContact CB-CH2 3.66Å; M438-W450 HydrophobicContact CB-CZ2 3.3Å; M438-W450 HydrophobicContact CB-CZ3 3.94Å; M438-W450 WeakPolarHBondContact CB-O 3.37Å; M438-W450 HydrophobicContact CG-CD2 4.1Å; M438-W450 HydrophobicContact CG-CE3 3.91Å; M438-W450 HydrophobicContact CG-CH2 3.41Å; M438-W450 VanDerWaalsContact CG-CH2 3.41Å; M438-W450 HydrophobicContact CG-CZ2 3.64Å; M438-W450 HydrophobicContact CG-CZ3 3.56Å; M438-W450 PolarHBondContact N-O 2.9Å; M438-W450 HydrophobicContact SD-CH2 4.16Å; M438-W450 HydrophobicContact SD-CZ2 4.41Å; C439-W450 PolarHBondContact O-NE1 3.4Å; C439-W450 VanDerWaalsContact O-NE1 3.1Å; W450-L452 HydrophobicContact CZ3-CD1 4.33Å; W450-S455 WeakPolarHBondContact CZ3-OG 3.42Å; W450-Q682 HydrophobicContact CH2-CB 3.98Å; W450-Q682 HydrophobicContact CH2-CG 3.39Å; W450-Q682 HydrophobicContact CZ2-CB 4.38Å; W450-Q682 HydrophobicContact CZ2-CG 3.66Å; W450-Q682 HydrophobicContact CZ3-CG 4.19Å |
| 451 | T | 87.1 | Confident | 79.9 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 23% | 0.233 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 147.2 | 178.8 | 46.3 | 0 | 0 | 0 | 0 | 110 | Y437 D453 T454 | Y437-T451 HydrophobicContact CD1-CG2 4.21Å; Y437-T451 HydrophobicContact CE1-CG2 4.22Å; T451-D453 WeakPolarHBondContact CB-OD1 3.3Å; T451-D453 PolarHBondContact O-N 3.27Å; T451-D453 PolarHBondContact OG1-OD1 3.34Å; T451-T454 PolarHBondContact O-N 3.29Å; T451-T454 PolarHBondContact O-OG1 3.48Å |
| 452 | L | 86.8 | Confident | 80.7 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -63.7 | -25 | -172.8 | -173.9 | 62.1 | 0 | 0 | 0 | 113.4 | V429 G433 I436 M438 W450 T454 S455 V887 L891 | V429-L452 HydrophobicContact CG1-CG 4.18Å; V429-L452 HydrophobicContact CG2-CD2 4.24Å; V429-L452 HydrophobicContact CG2-CG 4.46Å; G433-L452 PolarHBondContact O-N 3.32Å; I436-L452 HydrophobicContact CB-CB 4.22Å; I436-L452 HydrophobicContact CB-CD2 4.44Å; I436-L452 HydrophobicContact CD1-CD2 4.02Å; I436-L452 PolarHBondContact O-N 2.91Å; I436-L452 VanDerWaalsContact O-N 3.16Å; M438-L452 HydrophobicContact CE-CB 4.1Å; M438-L452 HydrophobicContact CE-CD1 4.14Å; M438-L452 HydrophobicContact CE-CD2 4.25Å; M438-L452 HydrophobicContact CE-CG 4.39Å; M438-L452 HydrophobicContact CG-CB 4.36Å; M438-L452 HydrophobicContact CG-CD1 4.34Å; M438-L452 HydrophobicContact SD-CD1 4.25Å; W450-L452 HydrophobicContact CZ3-CD1 4.33Å; L452-T454 PolarHBondContact O-N 2.8Å; L452-S455 VanDerWaalsContact O-CB 3.29Å; L452-S455 WeakPolarHBondContact O-CB 3.2Å; L452-S455 PolarHBondContact O-N 3.16Å; L452-S455 VanDerWaalsContact O-N 3.1Å; L452-V887 HydrophobicContact CD2-CG1 3.72Å; L452-L891 HydrophobicContact CD2-CD1 4.34Å |
| 453 | D | 87.6 | Confident | 81.5 | Confident | 42 Ų | 42 | 53.8 Ų | 53.8 | 23% | 0.225 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -61.1 | -29.2 | 176.5 | 72.4 | -38.4 | 0 | 0 | 0 | 113.5 | V429 Q434 T451 S455 C456 | V429-D453 WeakPolarHBondContact O-CA 3.27Å; Q434-D453 HydrophobicContact CG-CB 3.84Å; T451-D453 WeakPolarHBondContact CB-OD1 3.3Å; T451-D453 PolarHBondContact O-N 3.27Å; T451-D453 PolarHBondContact OG1-OD1 3.34Å; D453-S455 PolarHBondContact O-N 3.04Å; D453-S455 VanDerWaalsContact O-N 3.11Å; D453-C456 WeakPolarHBondContact O-CB 3.37Å; D453-C456 PolarHBondContact O-N 2.87Å |
| 454 | T | 83.7 | Confident | 82.3 | Confident | 69 Ų | 69 | 51 Ų | 51 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -61.4 | -21.5 | 176.1 | 63 | 0 | 0 | 0 | 0 | 112.6 | T451 L452 | T451-T454 PolarHBondContact O-N 3.29Å; T451-T454 PolarHBondContact O-OG1 3.48Å; L452-T454 PolarHBondContact O-N 2.8Å |
| 455 | S | 82 | Confident | 82.9 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -84.7 | -3.6 | 175.3 | -55.7 | 0 | 0 | 0 | 0 | 114.4 | W450 L452 D453 L457 R458 T459 Q682 | W450-S455 WeakPolarHBondContact CZ3-OG 3.42Å; L452-S455 VanDerWaalsContact O-CB 3.29Å; L452-S455 WeakPolarHBondContact O-CB 3.2Å; L452-S455 PolarHBondContact O-N 3.16Å; L452-S455 VanDerWaalsContact O-N 3.1Å; D453-S455 PolarHBondContact O-N 3.04Å; D453-S455 VanDerWaalsContact O-N 3.11Å; S455-L457 VanDerWaalsContact C-N 3.29Å; S455-L457 PolarHBondContact O-N 3.04Å; S455-L457 VanDerWaalsContact O-N 3.16Å; S455-R458 WeakPolarHBondContact O-CA 3.25Å; S455-R458 WeakPolarHBondContact O-CB 3.49Å; S455-R458 PolarHBondContact O-N 3.45Å; S455-T459 PolarHBondContact O-N 3.19Å; S455-T459 PolarHBondContact O-OG1 2.96Å; S455-Q682 PolarHBondContact OG-NE2 2.99Å; S455-Q682 PolarHBondContact OG-OE1 3.28Å |
| 456 | C | 87.6 | Confident | 83.7 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.5 | -42.3 | -171.7 | 174.8 | 0 | 0 | 0 | 0 | 113.2 | C430 D453 R458 T459 K460 | C430-C456 HydrophobicContact CB-CB 3.91Å; C430-C456 WeakPolarHBondContact CB-SG 3.46Å; C430-C456 WeakPolarHBondContact SG-CB 3.42Å; C430-C456 CovalentContact SG-SG 2.04Å; C430-C456 PolarHBondContact SG-SG 2.88Å; D453-C456 WeakPolarHBondContact O-CB 3.37Å; D453-C456 PolarHBondContact O-N 2.87Å; C456-R458 PolarHBondContact O-N 3.25Å; C456-T459 PolarHBondContact O-N 3.35Å; C456-K460 WeakPolarHBondContact O-CB 3.26Å; C456-K460 VanDerWaalsContact O-CG 3.3Å; C456-K460 WeakPolarHBondContact O-CG 3.48Å; C456-K460 PolarHBondContact O-N 3.23Å; C456-K460 VanDerWaalsContact SG-CE 3.54Å |
| 457 | L | 84.5 | Confident | 84.6 | Confident | 115 Ų | 115 | 39.4 Ų | 39.4 | 60% | 0.602 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -63.2 | -42.3 | 177.3 | 179.8 | 64.2 | 0 | 0 | 0 | 111.8 | S455 K460 L461 | S455-L457 VanDerWaalsContact C-N 3.29Å; S455-L457 PolarHBondContact O-N 3.04Å; S455-L457 VanDerWaalsContact O-N 3.16Å; L457-K460 PolarHBondContact O-N 2.82Å; L457-L461 HydrophobicContact CD1-CD1 4.39Å; L457-L461 HydrophobicContact CG-CD1 4.25Å; L457-L461 WeakPolarHBondContact O-CG 3.38Å; L457-L461 PolarHBondContact O-N 3.24Å |
| 458 | R | 82.5 | Confident | 85.3 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 11% | 0.106 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -48.5 | 178.5 | -174.9 | -167.9 | -175.6 | 122.3 | -1.5 | 110.5 | S455 C456 K460 L461 M462 D681 D684 F687 | S455-R458 WeakPolarHBondContact O-CA 3.25Å; S455-R458 WeakPolarHBondContact O-CB 3.49Å; S455-R458 PolarHBondContact O-N 3.45Å; C456-R458 PolarHBondContact O-N 3.25Å; R458-K460 VanDerWaalsContact C-N 3.33Å; R458-K460 PolarHBondContact O-N 3.43Å; R458-L461 PolarHBondContact O-N 3.07Å; R458-M462 WeakPolarHBondContact O-CB 3.27Å; R458-M462 PolarHBondContact O-N 3.42Å; R458-D681 IonicContact NH1-OD2 3.84Å; R458-D681 PolarHBondContact NH1-OD2 3.15Å; R458-D681 PolarHBondContact NH2-O 3.32Å; R458-D684 PolarHBondContact NH2-O 2.82Å; R458-F687 HydrophobicContact CG-CD1 4.2Å; R458-F687 HydrophobicContact CG-CG 4.2Å |
| 459 | T | 86.3 | Confident | 85.9 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 19% | 0.19 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -40 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | V429 S455 C456 M462 R463 | V429-T459 HydrophobicContact CB-CG2 4.26Å; V429-T459 HydrophobicContact CG1-CG2 4.31Å; V429-T459 HydrophobicContact CG2-CG2 4.1Å; S455-T459 PolarHBondContact O-N 3.19Å; S455-T459 PolarHBondContact O-OG1 2.96Å; C456-T459 PolarHBondContact O-N 3.35Å; T459-M462 PolarHBondContact O-N 3.42Å; T459-R463 VanDerWaalsContact O-CB 3.3Å; T459-R463 WeakPolarHBondContact O-CB 3.44Å; T459-R463 PolarHBondContact O-N 3.1Å |
| 460 | K | 88.3 | Confident | 86.3 | Confident | 86 Ų | 86 | 36.7 Ų | 36.7 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.2 | -50.1 | 172.9 | -77.8 | 174 | 176.2 | 170.9 | 0 | 111.8 | L420 I426 C456 L457 R458 M462 R463 L464 | L420-K460 HydrophobicContact CD2-CB 3.83Å; L420-K460 HydrophobicContact CD2-CG 4.17Å; L420-K460 WeakPolarHBondContact CD2-O 3.45Å; I426-K460 HydrophobicContact CD1-CG 4.4Å; I426-K460 HydrophobicContact CG2-CG 3.97Å; C456-K460 WeakPolarHBondContact O-CB 3.26Å; C456-K460 VanDerWaalsContact O-CG 3.3Å; C456-K460 WeakPolarHBondContact O-CG 3.48Å; C456-K460 PolarHBondContact O-N 3.23Å; C456-K460 VanDerWaalsContact SG-CE 3.54Å; L457-K460 PolarHBondContact O-N 2.82Å; R458-K460 VanDerWaalsContact C-N 3.33Å; R458-K460 PolarHBondContact O-N 3.43Å; K460-M462 VanDerWaalsContact C-N 3.33Å; K460-M462 PolarHBondContact O-N 3.48Å; K460-R463 PolarHBondContact O-N 3.26Å; K460-L464 WeakPolarHBondContact O-CB 3.33Å; K460-L464 PolarHBondContact O-N 2.78Å |
| 461 | L | 84.6 | Confident | 86.7 | Confident | 68 Ų | 68 | 34.8 Ų | 34.8 | 36% | 0.356 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65 | -36.8 | 179.3 | -71.6 | 172.5 | 0 | 0 | 0 | 112.8 | L457 R458 L464 F687 | L457-L461 HydrophobicContact CD1-CD1 4.39Å; L457-L461 HydrophobicContact CG-CD1 4.25Å; L457-L461 WeakPolarHBondContact O-CG 3.38Å; L457-L461 PolarHBondContact O-N 3.24Å; R458-L461 PolarHBondContact O-N 3.07Å; L461-L464 WeakPolarHBondContact O-CB 3.48Å; L461-F687 HydrophobicContact CB-CD2 4.49Å; L461-F687 HydrophobicContact CB-CE2 4.12Å; L461-F687 HydrophobicContact CD1-CE2 3.9Å; L461-F687 HydrophobicContact CD1-CZ 4.28Å |
| 462 | M | 85.9 | Confident | 86.9 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66 | -50 | 176.3 | 175.2 | 59.9 | 171.2 | 0 | 0 | 110.9 | R458 T459 K460 L464 V465 D466 D684 L686 | R458-M462 WeakPolarHBondContact O-CB 3.27Å; R458-M462 PolarHBondContact O-N 3.42Å; T459-M462 PolarHBondContact O-N 3.42Å; K460-M462 VanDerWaalsContact C-N 3.33Å; K460-M462 PolarHBondContact O-N 3.48Å; M462-L464 PolarHBondContact O-N 2.82Å; M462-V465 CarbonylContact O-C 3.53Å; M462-V465 PolarHBondContact O-N 3.04Å; M462-D466 HydrophobicContact CE-CB 3.77Å; M462-D466 PolarHBondContact O-N 2.79Å; M462-D466 HydrophobicContact SD-CB 4.18Å; M462-D684 WeakPolarHBondContact CE-OD1 3.42Å; M462-D684 WeakPolarHBondContact CG-OD2 3.41Å; M462-L686 HydrophobicContact CE-CB 3.41Å; M462-L686 VanDerWaalsContact CE-CB 3.41Å; M462-L686 HydrophobicContact CE-CD2 3.36Å; M462-L686 HydrophobicContact CE-CG 3.95Å; M462-L686 HydrophobicContact SD-CB 3.62Å; M462-L686 HydrophobicContact SD-CD2 3.45Å; M462-L686 WeakPolarHBondContact SD-CD2 3.35Å; M462-L686 HydrophobicContact SD-CG 3.96Å |
| 463 | R | 88.1 | Confident | 87.1 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.6 | -25 | -176.7 | -164.8 | 61.3 | -179.6 | 76.8 | 25.2 | 113.3 | D419 D423 I426 T459 K460 V465 D466 R870 | D419-R463 IonicContact OD2-CZ 3.72Å; D419-R463 IonicContact OD2-NH1 3.4Å; D419-R463 IonicContact OD2-NH2 3.6Å; D419-R463 PolarHBondContact OD2-NH2 3.44Å; D419-R463 VanDerWaalsContact OD2-NH2 3.16Å; D423-R463 WeakPolarHBondContact OD2-CD 3.48Å; D423-R463 WeakPolarHBondContact OD2-CG 3.4Å; D423-R463 IonicContact OD2-CZ 3.73Å; D423-R463 IonicContact OD2-NE 2.8Å; D423-R463 PolarHBondContact OD2-NE 3.2Å; D423-R463 IonicContact OD2-NH2 3.03Å; D423-R463 PolarHBondContact OD2-NH2 3.12Å; I426-R463 HydrophobicContact CD1-CB 4.16Å; I426-R463 HydrophobicContact CD1-CG 4.21Å; I426-R463 HydrophobicContact CG1-CB 4.41Å; I426-R463 HydrophobicContact CG1-CG 4.45Å; T459-R463 VanDerWaalsContact O-CB 3.3Å; T459-R463 WeakPolarHBondContact O-CB 3.44Å; T459-R463 PolarHBondContact O-N 3.1Å; K460-R463 PolarHBondContact O-N 3.26Å; R463-V465 PolarHBondContact O-N 3.22Å; R463-D466 WeakPolarHBondContact CD-O 3.4Å; R463-D466 PolarHBondContact NH1-O 3.42Å; R463-R870 VanDerWaalsContact CD-NH1 3.33Å |
| 464 | L | 87 | Confident | 87.3 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.1 | -33.6 | 167.7 | 172.1 | 61.7 | 0 | 0 | 0 | 112.5 | F413 L417 L420 K460 L461 M462 H467 | F413-L464 HydrophobicContact CD2-CD1 4.29Å; F413-L464 HydrophobicContact CD2-CG 4.35Å; F413-L464 HydrophobicContact CE2-CD1 4.04Å; F413-L464 HydrophobicContact CE2-CD2 3.65Å; F413-L464 HydrophobicContact CE2-CG 3.83Å; F413-L464 HydrophobicContact CZ-CD1 4.29Å; F413-L464 HydrophobicContact CZ-CD2 3.76Å; F413-L464 HydrophobicContact CZ-CG 4.3Å; L417-L464 HydrophobicContact CB-CD1 4.33Å; L417-L464 HydrophobicContact CD2-CD1 3.65Å; L417-L464 HydrophobicContact CD2-CD2 4.22Å; L417-L464 HydrophobicContact CG-CD1 3.64Å; L420-L464 HydrophobicContact CD1-CB 3.97Å; L420-L464 HydrophobicContact CD1-CD1 3.74Å; L420-L464 HydrophobicContact CD1-CG 4.39Å; K460-L464 WeakPolarHBondContact O-CB 3.33Å; K460-L464 PolarHBondContact O-N 2.78Å; L461-L464 WeakPolarHBondContact O-CB 3.48Å; M462-L464 PolarHBondContact O-N 2.82Å; L464-H467 PolarHBondContact O-CD2 3.37Å |
| 465 | V | 84 | Confident | 87.6 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -98.5 | -48.3 | -179.7 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | M462 R463 H467 T470 L686 P803 | M462-V465 CarbonylContact O-C 3.53Å; M462-V465 PolarHBondContact O-N 3.04Å; R463-V465 PolarHBondContact O-N 3.22Å; V465-H467 VanDerWaalsContact C-N 3.29Å; V465-H467 PolarHBondContact O-N 2.94Å; V465-T470 WeakPolarHBondContact O-CB 3.21Å; V465-T470 PolarHBondContact O-OG1 2.84Å; V465-L686 HydrophobicContact CG1-CD2 4.48Å; V465-P803 HydrophobicContact CG1-CG 4.22Å |
| 466 | D | 86.4 | Confident | 88 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -83.1 | 72.7 | 178.8 | -174.3 | -1 | 0 | 0 | 0 | 110.8 | M462 R463 L686 T865 Q866 R870 | M462-D466 HydrophobicContact CE-CB 3.77Å; M462-D466 PolarHBondContact O-N 2.79Å; M462-D466 HydrophobicContact SD-CB 4.18Å; R463-D466 WeakPolarHBondContact CD-O 3.4Å; R463-D466 PolarHBondContact NH1-O 3.42Å; D466-L686 HydrophobicContact CB-CD2 4.07Å; D466-T865 WeakPolarHBondContact OD2-CB 3.29Å; D466-Q866 PolarHBondContact OD2-N 3.39Å; D466-R870 PolarHBondContact O-NH1 2.93Å; D466-R870 PolarHBondContact O-NH2 2.97Å; D466-R870 IonicContact OD1-CZ 2.85Å; D466-R870 IonicContact OD1-NH1 2.71Å; D466-R870 IonicContact OD1-NH2 3.77Å; D466-R870 PolarHBondContact OD1-NH2 3.19Å |
| 467 | H | 88.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -121.6 | 163.1 | 168.9 | 73.1 | 98 | 0 | 0 | 0 | 112.3 | V412 F415 L464 V465 G469 T470 | V412-H467 WeakPolarHBondContact CG1-NE2 3.24Å; V412-H467 PolarHBondContact O-CE1 2.87Å; V412-H467 VanDerWaalsContact O-CE1 3.3Å; V412-H467 PolarHBondContact O-NE2 2.88Å; V412-H467 VanDerWaalsContact O-NE2 3.11Å; F415-H467 AromaticContact CD1-CE1 3.73Å; F415-H467 AromaticContact CD1-ND1 3.57Å; L464-H467 PolarHBondContact O-CD2 3.37Å; V465-H467 VanDerWaalsContact C-N 3.29Å; V465-H467 PolarHBondContact O-N 2.94Å; H467-G469 WeakPolarHBondContact ND1-CA 3.42Å; H467-G469 PolarHBondContact ND1-N 2.77Å; H467-G469 VanDerWaalsContact ND1-N 3.1Å; H467-G469 PolarHBondContact O-N 3.41Å; H467-T470 PolarHBondContact CD2-OG1 3.16Å; H467-T470 PolarHBondContact NE2-OG1 3.1Å; H467-T470 WeakPolarHBondContact O-CB 3.48Å; H467-T470 PolarHBondContact O-N 3.3Å |
| 468 | E | 88.5 | Confident | 88.4 | Confident | 94 Ų | 94 | 31.1 Ų | 31.1 | 44% | 0.439 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -51 | -35.3 | -178.2 | -61.1 | -57.8 | 139.8 | 0 | 0 | 113.1 | T470 V471 L472 F867 R870 | E468-T470 VanDerWaalsContact C-N 3.34Å; E468-T470 PolarHBondContact O-N 2.91Å; E468-V471 PolarHBondContact O-N 3.05Å; E468-L472 PolarHBondContact O-N 3.45Å; E468-F867 VanDerWaalsContact CD-CE2 3.45Å; E468-F867 VanDerWaalsContact OE1-CD2 3.29Å; E468-F867 WeakPolarHBondContact OE1-CD2 3.48Å; E468-F867 VanDerWaalsContact OE1-CE2 3.28Å; E468-F867 WeakPolarHBondContact OE1-CE2 3.45Å; E468-F867 WeakPolarHBondContact OE2-CE2 3.39Å; E468-R870 IonicContact OE1-NH2 2.89Å |
| 469 | G | 89.7 | Confident | 88.7 | Confident | 17 Ų | 17 | 31.7 Ų | 31.7 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.5 | -28.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H467 L472 F473 | H467-G469 WeakPolarHBondContact ND1-CA 3.42Å; H467-G469 PolarHBondContact ND1-N 2.77Å; H467-G469 VanDerWaalsContact ND1-N 3.1Å; H467-G469 PolarHBondContact O-N 3.41Å; G469-L472 PolarHBondContact O-N 2.83Å; G469-F473 WeakPolarHBondContact O-CB 3.26Å; G469-F473 PolarHBondContact O-N 2.98Å |
| 470 | T | 91.3 | Very high | 89 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72 | -34.7 | 176.2 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | V465 H467 E468 F473 A474 P800 P803 | V465-T470 WeakPolarHBondContact O-CB 3.21Å; V465-T470 PolarHBondContact O-OG1 2.84Å; H467-T470 PolarHBondContact CD2-OG1 3.16Å; H467-T470 PolarHBondContact NE2-OG1 3.1Å; H467-T470 WeakPolarHBondContact O-CB 3.48Å; H467-T470 PolarHBondContact O-N 3.3Å; E468-T470 VanDerWaalsContact C-N 3.34Å; E468-T470 PolarHBondContact O-N 2.91Å; T470-F473 WeakPolarHBondContact O-CB 3.46Å; T470-F473 PolarHBondContact O-N 3.41Å; T470-A474 PolarHBondContact O-N 2.96Å; T470-P800 HydrophobicContact CG2-CB 4.49Å; T470-P800 VanDerWaalsContact CG2-O 3.3Å; T470-P800 WeakPolarHBondContact CG2-O 3.31Å; T470-P803 HydrophobicContact CG2-CG 3.99Å |
| 471 | V | 89.6 | Confident | 89.1 | Confident | 19 Ų | 19 | 26.9 Ų | 26.9 | 12% | 0.115 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 172.5 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | E468 F473 A474 V475 I861 F867 | E468-V471 PolarHBondContact O-N 3.05Å; V471-F473 VanDerWaalsContact C-N 3.3Å; V471-F473 PolarHBondContact O-N 3.43Å; V471-A474 WeakPolarHBondContact O-CB 3.41Å; V471-A474 PolarHBondContact O-N 2.76Å; V471-V475 PolarHBondContact O-N 2.8Å; V471-I861 HydrophobicContact CG1-CD1 4.35Å; V471-I861 HydrophobicContact CG1-CG2 4.37Å; V471-I861 HydrophobicContact CG2-CG2 4.28Å; V471-F867 HydrophobicContact CG1-CD1 4.24Å; V471-F867 HydrophobicContact CG1-CE1 3.9Å; V471-F867 HydrophobicContact CG1-CZ 4.34Å; V471-F867 HydrophobicContact CG2-CB 4.26Å; V471-F867 HydrophobicContact CG2-CD1 3.78Å; V471-F867 HydrophobicContact CG2-CD2 4.06Å; V471-F867 HydrophobicContact CG2-CE1 4.13Å; V471-F867 HydrophobicContact CG2-CE2 4.44Å; V471-F867 HydrophobicContact CG2-CG 3.72Å; V471-F867 HydrophobicContact CG2-CZ 4.45Å |
| 472 | L | 90.9 | Very high | 89.3 | Confident | 118 Ų | 118 | 24.2 Ų | 24.2 | 62% | 0.618 | 13% | 0.131 | S | C | * | . | H | α-helix | trans | -60.2 | -42.4 | 173.9 | -177.6 | 66.1 | 0 | 0 | 0 | 111.4 | E468 G469 A474 V475 V476 | E468-L472 PolarHBondContact O-N 3.45Å; G469-L472 PolarHBondContact O-N 2.83Å; L472-A474 VanDerWaalsContact C-N 3.31Å; L472-A474 PolarHBondContact O-N 2.95Å; L472-V475 PolarHBondContact O-N 3.07Å; L472-V476 WeakPolarHBondContact O-CG2 3.35Å; L472-V476 PolarHBondContact O-N 2.91Å |
| 473 | F | 92.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -37.7 | 177.6 | -173.4 | -131.1 | 0 | 0 | 0 | 112.3 | I405 L408 V412 G469 T470 V471 V475 V476 M477 V799 P803 P806 | I405-F473 HydrophobicContact CG2-CE2 4.1Å; I405-F473 HydrophobicContact CG2-CZ 3.87Å; L408-F473 HydrophobicContact CB-CE2 4.05Å; L408-F473 HydrophobicContact CD2-CD2 3.67Å; L408-F473 HydrophobicContact CD2-CE2 3.79Å; L408-F473 HydrophobicContact CG-CD2 3.77Å; L408-F473 HydrophobicContact CG-CE2 3.8Å; V412-F473 HydrophobicContact CG1-CB 4.39Å; V412-F473 HydrophobicContact CG2-CB 4.07Å; V412-F473 HydrophobicContact CG2-CD2 4.42Å; V412-F473 HydrophobicContact CG2-CG 4.24Å; G469-F473 WeakPolarHBondContact O-CB 3.26Å; G469-F473 PolarHBondContact O-N 2.98Å; T470-F473 WeakPolarHBondContact O-CB 3.46Å; T470-F473 PolarHBondContact O-N 3.41Å; V471-F473 VanDerWaalsContact C-N 3.3Å; V471-F473 PolarHBondContact O-N 3.43Å; F473-V475 PolarHBondContact O-N 2.88Å; F473-V476 PolarHBondContact O-N 2.99Å; F473-M477 HydrophobicContact CD2-CG 4.24Å; F473-M477 HydrophobicContact CE1-CG 4.25Å; F473-M477 HydrophobicContact CE2-CG 3.96Å; F473-M477 HydrophobicContact CE2-SD 4.19Å; F473-M477 HydrophobicContact CG-CG 4.5Å; F473-M477 HydrophobicContact CZ-CG 3.97Å; F473-M477 HydrophobicContact CZ-SD 4.16Å; F473-M477 WeakPolarHBondContact O-CB 3.3Å; F473-M477 VanDerWaalsContact O-CG 3.29Å; F473-M477 WeakPolarHBondContact O-CG 3.43Å; F473-M477 PolarHBondContact O-N 2.97Å; F473-V799 HydrophobicContact CD1-CG1 3.28Å; F473-V799 HydrophobicContact CE1-CG1 3.18Å; F473-V799 HydrophobicContact CG-CG1 4.33Å; F473-V799 HydrophobicContact CZ-CG1 4.17Å; F473-P803 HydrophobicContact CD1-CB 4.24Å; F473-P803 HydrophobicContact CE1-CB 4.26Å; F473-P806 HydrophobicContact CZ-CG 4.17Å |
| 474 | A | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T470 V471 L472 M477 S478 P800 I861 | T470-A474 PolarHBondContact O-N 2.96Å; V471-A474 WeakPolarHBondContact O-CB 3.41Å; V471-A474 PolarHBondContact O-N 2.76Å; L472-A474 VanDerWaalsContact C-N 3.31Å; L472-A474 PolarHBondContact O-N 2.95Å; A474-M477 PolarHBondContact O-N 3.19Å; A474-S478 PolarHBondContact O-N 3.28Å; A474-P800 HydrophobicContact CB-CG 3.82Å; A474-I861 HydrophobicContact CB-CD1 3.75Å |
| 475 | V | 89.3 | Confident | 89.8 | Confident | 52 Ų | 52 | 24.6 Ų | 24.6 | 32% | 0.315 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -64 | -44.6 | 172.1 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | V471 L472 F473 M477 S478 L479 F943 | V471-V475 PolarHBondContact O-N 2.8Å; L472-V475 PolarHBondContact O-N 3.07Å; F473-V475 PolarHBondContact O-N 2.88Å; V475-M477 PolarHBondContact O-N 3.31Å; V475-S478 PolarHBondContact O-N 3.01Å; V475-S478 PolarHBondContact O-OG 3.01Å; V475-L479 HydrophobicContact CG1-CD1 4.43Å; V475-L479 WeakPolarHBondContact O-CG 3.21Å; V475-L479 PolarHBondContact O-N 3.05Å; V475-F943 HydrophobicContact CG2-CD2 4.36Å; V475-F943 HydrophobicContact CG2-CE2 3.58Å; V475-F943 HydrophobicContact CG2-CZ 4.36Å |
| 476 | V | 91.6 | Very high | 90.1 | Very high | 53 Ų | 53 | 24.4 Ų | 24.4 | 32% | 0.321 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.5 | -37.5 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | I405 L408 L472 F473 W480 | I405-V476 HydrophobicContact CD1-CG1 4.28Å; L408-V476 HydrophobicContact CD2-CB 4.32Å; L408-V476 HydrophobicContact CD2-CG1 3.7Å; L472-V476 WeakPolarHBondContact O-CG2 3.35Å; L472-V476 PolarHBondContact O-N 2.91Å; F473-V476 PolarHBondContact O-N 2.99Å; V476-W480 WeakPolarHBondContact O-CB 3.49Å; V476-W480 PolarHBondContact O-N 3.43Å |
| 477 | M | 92 | Very high | 90.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.9 | -37.6 | -179.8 | -77.8 | -58.6 | -66 | 0 | 0 | 114.1 | I405 F473 A474 V475 L479 W480 A481 I795 V799 | I405-M477 HydrophobicContact CB-SD 4.2Å; I405-M477 HydrophobicContact CD1-SD 3.84Å; I405-M477 HydrophobicContact CG1-SD 3.95Å; I405-M477 HydrophobicContact CG2-CE 3.89Å; I405-M477 HydrophobicContact CG2-SD 3.18Å; I405-M477 WeakPolarHBondContact CG2-SD 3.43Å; F473-M477 HydrophobicContact CD2-CG 4.24Å; F473-M477 HydrophobicContact CE1-CG 4.25Å; F473-M477 HydrophobicContact CE2-CG 3.96Å; F473-M477 HydrophobicContact CE2-SD 4.19Å; F473-M477 HydrophobicContact CG-CG 4.5Å; F473-M477 HydrophobicContact CZ-CG 3.97Å; F473-M477 HydrophobicContact CZ-SD 4.16Å; F473-M477 WeakPolarHBondContact O-CB 3.3Å; F473-M477 VanDerWaalsContact O-CG 3.29Å; F473-M477 WeakPolarHBondContact O-CG 3.43Å; F473-M477 PolarHBondContact O-N 2.97Å; A474-M477 PolarHBondContact O-N 3.19Å; V475-M477 PolarHBondContact O-N 3.31Å; M477-L479 VanDerWaalsContact C-N 3.34Å; M477-W480 HydrophobicContact CE-CD2 4.37Å; M477-W480 HydrophobicContact CE-CE3 3.71Å; M477-W480 HydrophobicContact CE-CZ3 4.05Å; M477-W480 PolarHBondContact O-N 3.12Å; M477-W480 HydrophobicContact SD-CB 4.42Å; M477-W480 HydrophobicContact SD-CD2 4.43Å; M477-W480 HydrophobicContact SD-CE3 4.3Å; M477-A481 WeakPolarHBondContact O-CB 3.06Å; M477-A481 PolarHBondContact O-N 2.83Å; M477-I795 HydrophobicContact CE-CG2 4.1Å; M477-V799 HydrophobicContact CB-CG2 4.11Å; M477-V799 HydrophobicContact CE-CG2 3.9Å; M477-V799 HydrophobicContact CG-CB 4.34Å; M477-V799 HydrophobicContact CG-CG1 3.94Å; M477-V799 HydrophobicContact CG-CG2 3.92Å |
| 478 | S | 88.5 | Confident | 90.5 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 174.4 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | A474 V475 | A474-S478 PolarHBondContact O-N 3.28Å; V475-S478 PolarHBondContact O-N 3.01Å; V475-S478 PolarHBondContact O-OG 3.01Å |
| 479 | L | 88.3 | Confident | 90.6 | Very high | 40 Ų | 40 | 24.5 Ų | 24.5 | 21% | 0.209 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.6 | -42.8 | 173 | -64.9 | 176.6 | 0 | 0 | 0 | 112.1 | V475 M477 A481 V482 I483 L950 I954 | V475-L479 HydrophobicContact CG1-CD1 4.43Å; V475-L479 WeakPolarHBondContact O-CG 3.21Å; V475-L479 PolarHBondContact O-N 3.05Å; M477-L479 VanDerWaalsContact C-N 3.34Å; L479-A481 VanDerWaalsContact C-N 3.31Å; L479-A481 PolarHBondContact O-N 3.41Å; L479-V482 PolarHBondContact O-N 3.22Å; L479-I483 HydrophobicContact CB-CD1 4.45Å; L479-I483 VanDerWaalsContact O-CG1 3.25Å; L479-I483 WeakPolarHBondContact O-CG1 3.35Å; L479-I483 PolarHBondContact O-N 2.9Å; L479-L950 HydrophobicContact CD1-CD1 4.38Å; L479-L950 HydrophobicContact CD2-CB 3.75Å; L479-L950 HydrophobicContact CD2-CD1 3.81Å; L479-L950 HydrophobicContact CD2-CG 4.4Å; L479-I954 HydrophobicContact CD2-CD1 4.28Å |
| 480 | W | 92.9 | Very high | 90.7 | Very high | 15 Ų | 15 | 27 Ų | 27 | 6% | 0.057 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.6 | -42.1 | 178 | 173.6 | 91.2 | 0 | 0 | 0 | 111.7 | Y398 W401 L402 I405 V476 M477 V482 I483 F484 Y792 T796 | Y398-W480 HydrophobicContact CD2-CH2 4.49Å; Y398-W480 HydrophobicContact CE2-CH2 4.1Å; W401-W480 HydrophobicContact CB-CZ2 4.11Å; W401-W480 AromaticContact CE3-NE1 3.64Å; W401-W480 PolarHBondContact O-NE1 3.44Å; W401-W480 VanDerWaalsContact O-NE1 3.13Å; L402-W480 HydrophobicContact CD2-CH2 3.89Å; L402-W480 HydrophobicContact CD2-CZ2 4.09Å; I405-W480 HydrophobicContact CD1-CB 4.1Å; I405-W480 HydrophobicContact CD1-CD2 4.47Å; I405-W480 HydrophobicContact CD1-CG 3.77Å; I405-W480 HydrophobicContact CG1-CB 4.49Å; I405-W480 HydrophobicContact CG1-CD2 3.9Å; I405-W480 HydrophobicContact CG1-CG 3.67Å; I405-W480 HydrophobicContact CG1-CZ2 4.5Å; V476-W480 WeakPolarHBondContact O-CB 3.49Å; V476-W480 PolarHBondContact O-N 3.43Å; M477-W480 HydrophobicContact CE-CD2 4.37Å; M477-W480 HydrophobicContact CE-CE3 3.71Å; M477-W480 HydrophobicContact CE-CZ3 4.05Å; M477-W480 PolarHBondContact O-N 3.12Å; M477-W480 HydrophobicContact SD-CB 4.42Å; M477-W480 HydrophobicContact SD-CD2 4.43Å; M477-W480 HydrophobicContact SD-CE3 4.3Å; W480-V482 VanDerWaalsContact C-N 3.27Å; W480-V482 PolarHBondContact O-N 3.38Å; W480-I483 PolarHBondContact O-N 2.9Å; W480-F484 HydrophobicContact CD2-CB 4.37Å; W480-F484 HydrophobicContact CH2-CG 4.36Å; W480-F484 HydrophobicContact CZ2-CB 4.3Å; W480-F484 HydrophobicContact CZ2-CD2 4.38Å; W480-F484 HydrophobicContact CZ2-CG 4.26Å; W480-F484 WeakPolarHBondContact O-CB 3.34Å; W480-F484 PolarHBondContact O-N 3.36Å; W480-Y792 HydrophobicContact CH2-CE2 4.24Å; W480-Y792 HydrophobicContact CZ3-CE2 4.03Å; W480-T796 HydrophobicContact CE3-CG2 4.44Å; W480-T796 HydrophobicContact CZ3-CG2 3.9Å |
| 481 | A | 90.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57 | -41.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | M477 L479 F485 Y792 T796 | M477-A481 WeakPolarHBondContact O-CB 3.06Å; M477-A481 PolarHBondContact O-N 2.83Å; L479-A481 VanDerWaalsContact C-N 3.31Å; L479-A481 PolarHBondContact O-N 3.41Å; A481-F485 WeakPolarHBondContact O-CB 3.12Å; A481-F485 PolarHBondContact O-N 3.28Å; A481-Y792 PolarHBondContact O-OH 3.37Å; A481-T796 HydrophobicContact CB-CG2 4.01Å |
| 482 | V | 88.1 | Confident | 90.9 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76.1 | -46.3 | 179.4 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | L479 W480 F484 F485 E486 I854 T951 I954 | L479-V482 PolarHBondContact O-N 3.22Å; W480-V482 VanDerWaalsContact C-N 3.27Å; W480-V482 PolarHBondContact O-N 3.38Å; V482-F484 VanDerWaalsContact C-N 3.34Å; V482-F484 PolarHBondContact O-N 3.36Å; V482-F485 PolarHBondContact O-N 3.31Å; V482-E486 PolarHBondContact O-N 3.37Å; V482-I854 HydrophobicContact CG2-CD1 4.43Å; V482-T951 HydrophobicContact CB-CG2 4.01Å; V482-T951 HydrophobicContact CG1-CG2 3.94Å; V482-T951 HydrophobicContact CG2-CG2 3.31Å; V482-I954 HydrophobicContact CG1-CG2 4.29Å |
| 483 | I | 90.5 | Very high | 90.9 | Very high | 62 Ų | 62 | 26 Ų | 26 | 32% | 0.318 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.5 | -45 | 179.2 | -64 | 167.5 | 0 | 0 | 0 | 110.5 | W401 L479 W480 F485 E486 M487 I954 | W401-I483 HydrophobicContact CH2-CG2 3.68Å; W401-I483 HydrophobicContact CZ3-CB 4.43Å; W401-I483 HydrophobicContact CZ3-CG2 3.72Å; L479-I483 HydrophobicContact CB-CD1 4.45Å; L479-I483 VanDerWaalsContact O-CG1 3.25Å; L479-I483 WeakPolarHBondContact O-CG1 3.35Å; L479-I483 PolarHBondContact O-N 2.9Å; W480-I483 PolarHBondContact O-N 2.9Å; I483-F485 VanDerWaalsContact C-N 3.3Å; I483-F485 PolarHBondContact O-N 3.23Å; I483-E486 PolarHBondContact O-N 2.84Å; I483-M487 HydrophobicContact CG2-CG 4.16Å; I483-M487 VanDerWaalsContact O-CB 3.26Å; I483-M487 WeakPolarHBondContact O-CB 3.48Å; I483-M487 WeakPolarHBondContact O-CG 3.28Å; I483-M487 PolarHBondContact O-N 3.41Å; I483-I954 HydrophobicContact CD1-CD1 4.23Å; I483-I954 HydrophobicContact CG1-CD1 3.84Å; I483-I954 HydrophobicContact CG1-CG2 4.17Å |
| 484 | F | 91.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.3 | -48.4 | 175.4 | 164.3 | -106.4 | 0 | 0 | 0 | 111 | F397 Y398 W401 W480 V482 M487 W488 Y792 | F397-F484 HydrophobicContact CD1-CD2 4.1Å; F397-F484 AromaticContact CD1-CE2 3.43Å; F397-F484 HydrophobicContact CD1-CE2 3.43Å; F397-F484 VanDerWaalsContact CD1-CE2 3.43Å; F397-F484 HydrophobicContact CD1-CZ 4.21Å; F397-F484 AromaticContact CE1-CD2 3.69Å; F397-F484 HydrophobicContact CE1-CD2 3.69Å; F397-F484 AromaticContact CE1-CE2 3.51Å; F397-F484 HydrophobicContact CE1-CE2 3.51Å; F397-F484 HydrophobicContact CE1-CZ 4.45Å; Y398-F484 HydrophobicContact CD2-CE1 4.27Å; Y398-F484 HydrophobicContact CD2-CE2 4.15Å; Y398-F484 AromaticContact CD2-CZ 3.75Å; Y398-F484 HydrophobicContact CD2-CZ 3.75Å; Y398-F484 HydrophobicContact CG-CZ 4.23Å; W401-F484 HydrophobicContact CB-CD2 3.63Å; W401-F484 HydrophobicContact CB-CE2 4.04Å; W401-F484 AromaticContact CD2-CD2 3.97Å; W401-F484 HydrophobicContact CD2-CD2 3.97Å; W401-F484 HydrophobicContact CE3-CB 3.91Å; W401-F484 HydrophobicContact CE3-CD2 4.19Å; W401-F484 AromaticContact CG-CD2 3.72Å; W401-F484 HydrophobicContact CG-CD2 3.72Å; W401-F484 HydrophobicContact CG-CE2 4.28Å; W401-F484 HydrophobicContact CZ3-CB 4.38Å; W480-F484 HydrophobicContact CD2-CB 4.37Å; W480-F484 HydrophobicContact CH2-CG 4.36Å; W480-F484 HydrophobicContact CZ2-CB 4.3Å; W480-F484 HydrophobicContact CZ2-CD2 4.38Å; W480-F484 HydrophobicContact CZ2-CG 4.26Å; W480-F484 WeakPolarHBondContact O-CB 3.34Å; W480-F484 PolarHBondContact O-N 3.36Å; V482-F484 VanDerWaalsContact C-N 3.34Å; V482-F484 PolarHBondContact O-N 3.36Å; F484-M487 PolarHBondContact O-N 3.17Å; F484-W488 PolarHBondContact O-N 3.08Å; F484-Y792 AromaticContact CD1-CE2 3.64Å; F484-Y792 HydrophobicContact CD1-CE2 3.64Å; F484-Y792 HydrophobicContact CE1-CD2 4.21Å; F484-Y792 AromaticContact CE1-CE2 3.63Å; F484-Y792 HydrophobicContact CE1-CE2 3.63Å |
| 485 | F | 89.4 | Confident | 90.7 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.8 | -47.5 | -178.1 | -178.5 | -118.3 | 0 | 0 | 0 | 112.7 | A481 V482 I483 M487 W488 K489 L843 I846 T847 | A481-F485 WeakPolarHBondContact O-CB 3.12Å; A481-F485 PolarHBondContact O-N 3.28Å; V482-F485 PolarHBondContact O-N 3.31Å; I483-F485 VanDerWaalsContact C-N 3.3Å; I483-F485 PolarHBondContact O-N 3.23Å; F485-M487 VanDerWaalsContact C-N 3.28Å; F485-M487 PolarHBondContact O-N 3.44Å; F485-W488 WeakPolarHBondContact O-CB 3.42Å; F485-W488 PolarHBondContact O-N 3.04Å; F485-W488 VanDerWaalsContact O-N 3.11Å; F485-K489 HydrophobicContact CE1-CD 4.46Å; F485-K489 PolarHBondContact O-N 3.12Å; F485-L843 HydrophobicContact CD2-CD1 4.42Å; F485-L843 HydrophobicContact CE2-CD1 3.37Å; F485-L843 HydrophobicContact CE2-CG 3.95Å; F485-L843 HydrophobicContact CZ-CD1 3.68Å; F485-L843 HydrophobicContact CZ-CG 3.82Å; F485-L843 WeakPolarHBondContact CZ-O 3.36Å; F485-I846 HydrophobicContact CD2-CB 4.05Å; F485-I846 HydrophobicContact CD2-CG2 3.37Å; F485-I846 HydrophobicContact CE2-CB 3.83Å; F485-I846 HydrophobicContact CE2-CG2 3.69Å; F485-I846 HydrophobicContact CG-CG2 4.1Å; F485-T847 VanDerWaalsContact CE1-OG1 3.24Å; F485-T847 WeakPolarHBondContact CE1-OG1 3.41Å; F485-T847 WeakPolarHBondContact CZ-OG1 3.25Å |
| 486 | E | 89.4 | Confident | 90.8 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -37.2 | 176.3 | -65.7 | -50 | 142.3 | 0 | 0 | 111.9 | V482 I483 W488 K489 R490 I954 M955 V958 | V482-E486 PolarHBondContact O-N 3.37Å; I483-E486 PolarHBondContact O-N 2.84Å; E486-W488 VanDerWaalsContact C-N 3.34Å; E486-K489 PolarHBondContact O-N 3.2Å; E486-K489 IonicContact OE1-NZ 3.44Å; E486-K489 PolarHBondContact OE1-NZ 2.94Å; E486-K489 IonicContact OE2-NZ 2.81Å; E486-K489 PolarHBondContact OE2-NZ 3.19Å; E486-R490 WeakPolarHBondContact O-CG 3.38Å; E486-R490 PolarHBondContact O-N 2.95Å; E486-R490 VanDerWaalsContact O-N 3.17Å; E486-I954 HydrophobicContact CG-CG2 4.34Å; E486-M955 HydrophobicContact CG-CG 4.31Å; E486-V958 HydrophobicContact CB-CG1 4.23Å |
| 487 | M | 91.4 | Very high | 90.5 | Very high | 59 Ų | 59 | 25.4 Ų | 25.4 | 29% | 0.291 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -70.1 | -31.3 | 175.6 | -67.7 | -65.5 | -72.3 | 0 | 0 | 112.4 | F397 W401 I483 F484 F485 R490 K491 V958 | F397-M487 HydrophobicContact CZ-CB 3.86Å; W401-M487 HydrophobicContact CH2-CB 3.99Å; W401-M487 HydrophobicContact CH2-CG 3.67Å; W401-M487 HydrophobicContact CZ2-CB 3.65Å; W401-M487 HydrophobicContact CZ2-CE 4.14Å; W401-M487 HydrophobicContact CZ2-CG 3.71Å; I483-M487 HydrophobicContact CG2-CG 4.16Å; I483-M487 VanDerWaalsContact O-CB 3.26Å; I483-M487 WeakPolarHBondContact O-CB 3.48Å; I483-M487 WeakPolarHBondContact O-CG 3.28Å; I483-M487 PolarHBondContact O-N 3.41Å; F484-M487 PolarHBondContact O-N 3.17Å; F485-M487 VanDerWaalsContact C-N 3.28Å; F485-M487 PolarHBondContact O-N 3.44Å; M487-R490 PolarHBondContact SD-NH1 3.08Å; M487-K491 WeakPolarHBondContact O-CB 3.39Å; M487-K491 PolarHBondContact O-N 2.85Å; M487-V958 HydrophobicContact SD-CG1 4.37Å |
| 488 | W | 92.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 170.3 | 172.4 | -109.7 | 0 | 0 | 0 | 111.5 | A393 W394 F397 F484 F485 E486 R490 K491 Q492 I839 | A393-W488 HydrophobicContact CB-CH2 4.2Å; W394-W488 HydrophobicContact CB-CH2 3.46Å; W394-W488 VanDerWaalsContact CB-CH2 3.46Å; W394-W488 HydrophobicContact CB-CZ2 3.59Å; W394-W488 HydrophobicContact CB-CZ3 3.97Å; W394-W488 AromaticContact CD1-CD1 3.97Å; W394-W488 AromaticContact CD1-CD2 3.6Å; W394-W488 AromaticContact CD1-CE2 3.4Å; W394-W488 VanDerWaalsContact CD1-CE2 3.4Å; W394-W488 AromaticContact CD1-CG 3.99Å; W394-W488 AromaticContact CD1-CZ2 3.73Å; W394-W488 AromaticContact CD1-NE1 3.64Å; W394-W488 HydrophobicContact CG-CD2 4.46Å; W394-W488 HydrophobicContact CG-CH2 4.25Å; W394-W488 HydrophobicContact CG-CZ2 4.06Å; W394-W488 VanDerWaalsContact N-CH2 3.28Å; F397-W488 HydrophobicContact CB-CE3 3.93Å; F397-W488 HydrophobicContact CB-CZ3 3.92Å; F397-W488 HydrophobicContact CD1-CB 4.12Å; F397-W488 HydrophobicContact CD1-CD2 4.4Å; F397-W488 AromaticContact CD1-CE3 3.6Å; F397-W488 HydrophobicContact CD1-CE3 3.6Å; F397-W488 HydrophobicContact CD1-CZ3 4.44Å; F397-W488 HydrophobicContact CE1-CB 3.77Å; F397-W488 HydrophobicContact CE1-CE3 4.26Å; F397-W488 AromaticContact CG-CE3 3.8Å; F397-W488 HydrophobicContact CG-CE3 3.8Å; F397-W488 HydrophobicContact CG-CZ3 4.25Å; F484-W488 PolarHBondContact O-N 3.08Å; F485-W488 WeakPolarHBondContact O-CB 3.42Å; F485-W488 PolarHBondContact O-N 3.04Å; F485-W488 VanDerWaalsContact O-N 3.11Å; E486-W488 VanDerWaalsContact C-N 3.34Å; W488-R490 VanDerWaalsContact C-N 3.27Å; W488-R490 PolarHBondContact O-N 3.07Å; W488-K491 HydrophobicContact CE3-CB 4.26Å; W488-K491 HydrophobicContact CE3-CG 4.35Å; W488-K491 HydrophobicContact CZ3-CG 4.22Å; W488-K491 CarbonylContact O-C 3.56Å; W488-K491 WeakPolarHBondContact O-CA 3.29Å; W488-K491 WeakPolarHBondContact O-CB 3.48Å; W488-K491 PolarHBondContact O-N 2.98Å; W488-Q492 HydrophobicContact CZ2-CB 4.22Å; W488-Q492 HydrophobicContact CZ2-CG 4.4Å; W488-Q492 WeakPolarHBondContact O-CB 3.41Å; W488-Q492 PolarHBondContact O-N 3.4Å; W488-I839 HydrophobicContact CZ2-CG2 3.97Å |
| 489 | K | 91.1 | Very high | 90.1 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 18% | 0.183 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -53.5 | -46.5 | 176.4 | -67.2 | -176.1 | -158.5 | 156.2 | 0 | 111.4 | F485 E486 K491 Q492 V493 L843 | F485-K489 HydrophobicContact CE1-CD 4.46Å; F485-K489 PolarHBondContact O-N 3.12Å; E486-K489 PolarHBondContact O-N 3.2Å; E486-K489 IonicContact OE1-NZ 3.44Å; E486-K489 PolarHBondContact OE1-NZ 2.94Å; E486-K489 IonicContact OE2-NZ 2.81Å; E486-K489 PolarHBondContact OE2-NZ 3.19Å; K489-K491 PolarHBondContact O-N 3.12Å; K489-Q492 WeakPolarHBondContact O-CB 3.48Å; K489-Q492 PolarHBondContact O-N 3.48Å; K489-V493 WeakPolarHBondContact O-CG2 3.18Å; K489-V493 PolarHBondContact O-N 3.28Å; K489-L843 HydrophobicContact CG-CD1 4.26Å |
| 490 | R | 91.6 | Very high | 89.9 | Confident | 68 Ų | 68 | 31.1 Ų | 31.1 | 26% | 0.257 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 175.6 | -71.3 | 178.5 | 68.4 | -161.3 | 7.2 | 113.3 | E486 M487 W488 S494 V958 P959 D960 P962 | E486-R490 WeakPolarHBondContact O-CG 3.38Å; E486-R490 PolarHBondContact O-N 2.95Å; E486-R490 VanDerWaalsContact O-N 3.17Å; M487-R490 PolarHBondContact SD-NH1 3.08Å; W488-R490 VanDerWaalsContact C-N 3.27Å; W488-R490 PolarHBondContact O-N 3.07Å; R490-S494 PolarHBondContact O-N 2.8Å; R490-S494 VanDerWaalsContact O-N 3.14Å; R490-V958 HydrophobicContact CG-CG1 4.43Å; R490-P959 VanDerWaalsContact CD-O 3.25Å; R490-P959 WeakPolarHBondContact CD-O 3.23Å; R490-P959 VanDerWaalsContact CG-O 3.27Å; R490-P959 WeakPolarHBondContact CG-O 3.3Å; R490-P959 PolarHBondContact NE-O 3.41Å; R490-D960 WeakPolarHBondContact CA-O 3.49Å; R490-D960 WeakPolarHBondContact CG-O 3.05Å; R490-P962 HydrophobicContact CB-CG 4.21Å |
| 491 | K | 90.9 | Very high | 89.6 | Confident | 87 Ų | 87 | 30.4 Ų | 30.4 | 38% | 0.378 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.5 | -42.8 | 177.7 | -177.6 | 59.9 | 175.5 | -176.1 | 0 | 111.3 | F397 M487 W488 K489 S494 L495 | F397-K491 HydrophobicContact CD2-CB 4.44Å; F397-K491 HydrophobicContact CD2-CG 4.13Å; F397-K491 HydrophobicContact CE2-CB 4.23Å; F397-K491 HydrophobicContact CE2-CG 4.35Å; M487-K491 WeakPolarHBondContact O-CB 3.39Å; M487-K491 PolarHBondContact O-N 2.85Å; W488-K491 HydrophobicContact CE3-CB 4.26Å; W488-K491 HydrophobicContact CE3-CG 4.35Å; W488-K491 HydrophobicContact CZ3-CG 4.22Å; W488-K491 CarbonylContact O-C 3.56Å; W488-K491 WeakPolarHBondContact O-CA 3.29Å; W488-K491 WeakPolarHBondContact O-CB 3.48Å; W488-K491 PolarHBondContact O-N 2.98Å; K489-K491 PolarHBondContact O-N 3.12Å; K491-S494 WeakPolarHBondContact O-CB 3.46Å; K491-S494 PolarHBondContact O-N 3.37Å; K491-L495 HydrophobicContact CD-CG 4.48Å; K491-L495 HydrophobicContact CG-CD1 4.22Å; K491-L495 WeakPolarHBondContact O-CG 3.39Å; K491-L495 PolarHBondContact O-N 3.01Å |
| 492 | Q | 93.2 | Very high | 89.4 | Confident | 12 Ų | 12 | 33.5 Ų | 33.5 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.1 | -48.9 | 176.9 | -173.9 | -176.1 | -84.3 | 0 | 0 | 110.7 | F390 W488 K489 S494 L495 A496 T838 | F390-Q492 HydrophobicContact CD1-CG 4.29Å; F390-Q492 HydrophobicContact CE1-CG 3.77Å; W488-Q492 HydrophobicContact CZ2-CB 4.22Å; W488-Q492 HydrophobicContact CZ2-CG 4.4Å; W488-Q492 WeakPolarHBondContact O-CB 3.41Å; W488-Q492 PolarHBondContact O-N 3.4Å; K489-Q492 WeakPolarHBondContact O-CB 3.48Å; K489-Q492 PolarHBondContact O-N 3.48Å; Q492-S494 VanDerWaalsContact C-N 3.33Å; Q492-S494 PolarHBondContact O-N 3.37Å; Q492-L495 PolarHBondContact O-N 2.6Å; Q492-L495 VanDerWaalsContact O-N 3.12Å; Q492-A496 WeakPolarHBondContact O-CB 3.46Å; Q492-A496 PolarHBondContact O-N 3.03Å; Q492-T838 VanDerWaalsContact NE2-CB 3.28Å |
| 493 | V | 91.7 | Very high | 89 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 175.1 | 170 | 0 | 0 | 0 | 0 | 111.6 | K489 L495 A496 Y497 Y502 V961 | K489-V493 WeakPolarHBondContact O-CG2 3.18Å; K489-V493 PolarHBondContact O-N 3.28Å; V493-L495 VanDerWaalsContact C-N 3.28Å; V493-L495 PolarHBondContact O-N 2.79Å; V493-A496 PolarHBondContact O-N 3Å; V493-Y497 WeakPolarHBondContact O-CB 3.46Å; V493-Y497 PolarHBondContact O-N 2.77Å; V493-Y502 HydrophobicContact CG1-CD2 4.16Å; V493-Y502 HydrophobicContact CG1-CE2 3.77Å; V493-V961 HydrophobicContact CG1-CB 4.47Å; V493-V961 HydrophobicContact CG1-CG1 4.15Å; V493-V961 HydrophobicContact CG1-CG2 4.23Å |
| 494 | S | 89.5 | Confident | 88.6 | Confident | 42 Ų | 42 | 35.5 Ų | 35.5 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.7 | -32.9 | 177.4 | -179.4 | 0 | 0 | 0 | 0 | 113.2 | R490 K491 Q492 R498 | R490-S494 PolarHBondContact O-N 2.8Å; R490-S494 VanDerWaalsContact O-N 3.14Å; K491-S494 WeakPolarHBondContact O-CB 3.46Å; K491-S494 PolarHBondContact O-N 3.37Å; Q492-S494 VanDerWaalsContact C-N 3.33Å; Q492-S494 PolarHBondContact O-N 3.37Å; S494-R498 WeakPolarHBondContact O-CB 3.21Å; S494-R498 PolarHBondContact O-N 3.06Å |
| 495 | L | 89.8 | Confident | 87.8 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.6 | -45.6 | 176.3 | -70.4 | 172.8 | 0 | 0 | 0 | 110.8 | F390 A393 K491 Q492 V493 Y497 R498 W499 | F390-L495 HydrophobicContact CE1-CB 4.01Å; F390-L495 HydrophobicContact CZ-CB 4.49Å; A393-L495 HydrophobicContact CB-CD1 3.58Å; K491-L495 HydrophobicContact CD-CG 4.48Å; K491-L495 HydrophobicContact CG-CD1 4.22Å; K491-L495 WeakPolarHBondContact O-CG 3.39Å; K491-L495 PolarHBondContact O-N 3.01Å; Q492-L495 PolarHBondContact O-N 2.6Å; Q492-L495 VanDerWaalsContact O-N 3.12Å; V493-L495 VanDerWaalsContact C-N 3.28Å; V493-L495 PolarHBondContact O-N 2.79Å; L495-Y497 VanDerWaalsContact C-N 3.26Å; L495-Y497 PolarHBondContact O-N 3.14Å; L495-R498 CarbonylContact O-C 3.57Å; L495-R498 PolarHBondContact O-N 3.27Å; L495-R498 VanDerWaalsContact O-N 3.12Å; L495-W499 HydrophobicContact CB-CD2 4.39Å; L495-W499 HydrophobicContact CB-CE3 4.3Å; L495-W499 HydrophobicContact CB-CH2 4.21Å; L495-W499 HydrophobicContact CB-CZ2 4.3Å; L495-W499 HydrophobicContact CB-CZ3 4.22Å; L495-W499 HydrophobicContact CD1-CH2 4.14Å; L495-W499 HydrophobicContact CD1-CZ2 4.47Å; L495-W499 HydrophobicContact CD2-CH2 4.3Å; L495-W499 HydrophobicContact CD2-CZ2 3.81Å; L495-W499 HydrophobicContact CG-CH2 4.45Å; L495-W499 HydrophobicContact CG-CZ2 4.41Å; L495-W499 VanDerWaalsContact O-CB 3.29Å; L495-W499 WeakPolarHBondContact O-CB 2.99Å; L495-W499 PolarHBondContact O-N 3.34Å |
| 496 | A | 90.7 | Very high | 86.9 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.9 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F390 Q492 V493 W499 N500 V501 Y502 | F390-A496 HydrophobicContact CZ-CB 4.05Å; Q492-A496 WeakPolarHBondContact O-CB 3.46Å; Q492-A496 PolarHBondContact O-N 3.03Å; V493-A496 PolarHBondContact O-N 3Å; A496-W499 CarbonylContact O-C 3.53Å; A496-W499 PolarHBondContact O-N 3.08Å; A496-N500 PolarHBondContact O-N 3.33Å; A496-V501 HydrophobicContact CB-CG2 4.03Å; A496-V501 WeakPolarHBondContact O-CG2 3.33Å; A496-V501 PolarHBondContact O-N 3.43Å; A496-Y502 HydrophobicContact CB-CD2 4.39Å; A496-Y502 PolarHBondContact O-N 3.5Å; A496-Y502 VanDerWaalsContact O-N 3.1Å |
| 497 | Y | 86.9 | Confident | 85.9 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -50.2 | 174.4 | 171.2 | -106.7 | 0 | 0 | 0 | 111.7 | V493 L495 W499 N500 V965 K968 I969 E972 | V493-Y497 WeakPolarHBondContact O-CB 3.46Å; V493-Y497 PolarHBondContact O-N 2.77Å; L495-Y497 VanDerWaalsContact C-N 3.26Å; L495-Y497 PolarHBondContact O-N 3.14Å; Y497-W499 PolarHBondContact O-N 3.26Å; Y497-W499 VanDerWaalsContact O-N 3.14Å; Y497-N500 PolarHBondContact O-N 2.87Å; Y497-N500 VanDerWaalsContact O-N 3.08Å; Y497-V965 HydrophobicContact CD1-CG1 3.84Å; Y497-V965 HydrophobicContact CD2-CG1 4.49Å; Y497-V965 HydrophobicContact CG-CG1 3.8Å; Y497-K968 HydrophobicContact CE1-CB 4.01Å; Y497-K968 HydrophobicContact CE1-CD 4.14Å; Y497-K968 WeakPolarHBondContact OH-CB 3.2Å; Y497-I969 HydrophobicContact CD2-CD1 4.04Å; Y497-I969 HydrophobicContact CD2-CG1 3.46Å; Y497-I969 VanDerWaalsContact CD2-CG1 3.46Å; Y497-I969 HydrophobicContact CE2-CB 4.37Å; Y497-I969 HydrophobicContact CE2-CD1 4.43Å; Y497-I969 HydrophobicContact CE2-CG1 3.38Å; Y497-I969 HydrophobicContact CG-CG1 4.26Å; Y497-E972 WeakPolarHBondContact CE2-OE2 3.39Å; Y497-E972 PolarHBondContact OH-OE2 2.99Å |
| 498 | R | 85.1 | Confident | 84.7 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 46% | 0.46 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.5 | -26.8 | 177.7 | -176.2 | 176.7 | 179.3 | -164.3 | -3.1 | 112.7 | S378 S494 L495 | S378-R498 PolarHBondContact OG-NH2 3.33Å; S494-R498 WeakPolarHBondContact O-CB 3.21Å; S494-R498 PolarHBondContact O-N 3.06Å; L495-R498 CarbonylContact O-C 3.57Å; L495-R498 PolarHBondContact O-N 3.27Å; L495-R498 VanDerWaalsContact O-N 3.12Å |
| 499 | W | 86.1 | Confident | 83.7 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 9.1 | -179 | -62.6 | -15.7 | 0 | 0 | 0 | 113.9 | I377 R381 E386 A389 F390 A393 L495 A496 Y497 V501 | I377-W499 HydrophobicContact CG2-CH2 3.78Å; I377-W499 HydrophobicContact CG2-CZ2 3.43Å; I377-W499 VanDerWaalsContact CG2-CZ2 3.43Å; R381-W499 VanDerWaalsContact CZ-CA 3.45Å; R381-W499 VanDerWaalsContact CZ-CB 3.44Å; R381-W499 VanDerWaalsContact NH1-CD1 3.31Å; R381-W499 PolarHBondContact NH2-O 3.26Å; E386-W499 HydrophobicContact CB-CE3 4.44Å; E386-W499 HydrophobicContact CG-CB 4.28Å; E386-W499 HydrophobicContact CG-CE3 4.26Å; A389-W499 HydrophobicContact CB-CH2 3.53Å; A389-W499 HydrophobicContact CB-CZ2 4.06Å; A389-W499 HydrophobicContact CB-CZ3 3.83Å; F390-W499 HydrophobicContact CB-CZ3 4.5Å; F390-W499 AromaticContact CD1-CZ3 3.81Å; F390-W499 HydrophobicContact CD1-CZ3 3.81Å; F390-W499 HydrophobicContact CD2-CE3 4.1Å; F390-W499 AromaticContact CD2-CZ3 3.69Å; F390-W499 HydrophobicContact CD2-CZ3 3.69Å; F390-W499 HydrophobicContact CE1-CE3 4.24Å; F390-W499 AromaticContact CE1-CZ3 3.82Å; F390-W499 HydrophobicContact CE1-CZ3 3.82Å; F390-W499 AromaticContact CE2-CE3 3.68Å; F390-W499 HydrophobicContact CE2-CE3 3.68Å; F390-W499 AromaticContact CE2-CZ3 3.7Å; F390-W499 HydrophobicContact CE2-CZ3 3.7Å; F390-W499 AromaticContact CG-CZ3 3.73Å; F390-W499 HydrophobicContact CG-CZ3 3.73Å; F390-W499 AromaticContact CZ-CE3 3.76Å; F390-W499 HydrophobicContact CZ-CE3 3.76Å; F390-W499 AromaticContact CZ-CZ3 3.77Å; F390-W499 HydrophobicContact CZ-CZ3 3.77Å; A393-W499 HydrophobicContact CB-CH2 4.33Å; L495-W499 HydrophobicContact CB-CD2 4.39Å; L495-W499 HydrophobicContact CB-CE3 4.3Å; L495-W499 HydrophobicContact CB-CH2 4.21Å; L495-W499 HydrophobicContact CB-CZ2 4.3Å; L495-W499 HydrophobicContact CB-CZ3 4.22Å; L495-W499 HydrophobicContact CD1-CH2 4.14Å; L495-W499 HydrophobicContact CD1-CZ2 4.47Å; L495-W499 HydrophobicContact CD2-CH2 4.3Å; L495-W499 HydrophobicContact CD2-CZ2 3.81Å; L495-W499 HydrophobicContact CG-CH2 4.45Å; L495-W499 HydrophobicContact CG-CZ2 4.41Å; L495-W499 VanDerWaalsContact O-CB 3.29Å; L495-W499 WeakPolarHBondContact O-CB 2.99Å; L495-W499 PolarHBondContact O-N 3.34Å; A496-W499 CarbonylContact O-C 3.53Å; A496-W499 PolarHBondContact O-N 3.08Å; Y497-W499 PolarHBondContact O-N 3.26Å; Y497-W499 VanDerWaalsContact O-N 3.14Å; W499-V501 HydrophobicContact CB-CG2 4.04Å; W499-V501 PolarHBondContact O-N 3.45Å; W499-V501 VanDerWaalsContact O-N 3.11Å |
| 500 | N | 84.9 | Confident | 82.6 | Confident | 39 Ų | 39 | 53.8 Ų | 53.8 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 31.3 | 178.2 | -59.1 | -25.3 | 0 | 0 | 0 | 112.9 | R174 T218 A496 Y497 | R174-N500 HydrophobicContact CB-CB 4.21Å; T218-N500 VanDerWaalsContact CG2-ND2 3.29Å; T218-N500 WeakPolarHBondContact CG2-ND2 3.45Å; T218-N500 PolarHBondContact OG1-ND2 3.31Å; A496-N500 PolarHBondContact O-N 3.33Å; Y497-N500 PolarHBondContact O-N 2.87Å; Y497-N500 VanDerWaalsContact O-N 3.08Å |
| 501 | V | 85.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -115.7 | 0.2 | 175.5 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | E386 F390 A496 W499 S503 L504 R835 Q837 | E386-V501 HydrophobicContact CG-CG1 3.82Å; F390-V501 HydrophobicContact CE2-CG2 4.2Å; F390-V501 HydrophobicContact CZ-CG2 4.42Å; A496-V501 HydrophobicContact CB-CG2 4.03Å; A496-V501 WeakPolarHBondContact O-CG2 3.33Å; A496-V501 PolarHBondContact O-N 3.43Å; W499-V501 HydrophobicContact CB-CG2 4.04Å; W499-V501 PolarHBondContact O-N 3.45Å; W499-V501 VanDerWaalsContact O-N 3.11Å; V501-S503 VanDerWaalsContact C-N 3.33Å; V501-S503 PolarHBondContact O-N 3.41Å; V501-L504 WeakPolarHBondContact O-CB 3.13Å; V501-L504 PolarHBondContact O-N 3.46Å; V501-R835 VanDerWaalsContact CG1-NH2 3.34Å; V501-Q837 WeakPolarHBondContact O-CB 3.3Å | ||
| 502 | Y | 86.6 | Confident | 81.1 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 26% | 0.259 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -32.7 | 176.2 | -177.6 | -98.7 | 0 | 0 | 0 | 113.2 | V493 A496 I969 | V493-Y502 HydrophobicContact CG1-CD2 4.16Å; V493-Y502 HydrophobicContact CG1-CE2 3.77Å; A496-Y502 HydrophobicContact CB-CD2 4.39Å; A496-Y502 PolarHBondContact O-N 3.5Å; A496-Y502 VanDerWaalsContact O-N 3.1Å; Y502-I969 HydrophobicContact CD1-CD1 4.33Å; Y502-I969 HydrophobicContact CE1-CD1 4.06Å |
| 503 | S | 80.4 | Confident | 80 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 27.9 | 177.3 | 73.5 | 0 | 0 | 0 | 0 | 112.1 | R174 V501 E505 | R174-S503 PolarHBondContact NH1-OG 3.48Å; V501-S503 VanDerWaalsContact C-N 3.33Å; V501-S503 PolarHBondContact O-N 3.41Å; S503-E505 PolarHBondContact O-N 2.94Å |
| 504 | L | 81.4 | Confident | 79 | Confident | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | trans | -74.1 | 113.9 | 179.9 | -173.1 | 70.3 | 0 | 0 | 0 | 108.4 | V501 R835 | V501-L504 WeakPolarHBondContact O-CB 3.13Å; V501-L504 PolarHBondContact O-N 3.46Å; L504-R835 HydrophobicContact CD2-CB 4.05Å; L504-R835 VanDerWaalsContact CD2-O 3.23Å; L504-R835 WeakPolarHBondContact CD2-O 3.28Å | ||
| 505 | E | 75.3 | Confident | 78.2 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | trans | -71.5 | 142 | 173.7 | -71 | 175.6 | -146 | 0 | 0 | 110.2 | K172 S503 M507 | K172-E505 IonicContact NZ-OE1 3.62Å; K172-E505 PolarHBondContact NZ-OE1 2.89Å; K172-E505 IonicContact NZ-OE2 2.76Å; K172-E505 PolarHBondContact NZ-OE2 3.31Å; S503-E505 PolarHBondContact O-N 2.94Å; E505-M507 PolarHBondContact O-N 3.07Å; E505-M507 VanDerWaalsContact O-N 3.09Å | ||
| 506 | P | 70 | Confident | 77.2 | Confident | 126 Ų | 126 | 54.7 Ų | 54.7 | 82% | 0.818 | 28% | 0.282 | S | S | * | . | trans | -63.6 | 114.5 | 173.1 | 27.2 | -32.1 | 0 | 0 | 0 | 108.7 | ||||
| 507 | M | 68.5 | Low | 76 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 32% | 0.32 | 30% | 0.304 | S | S | . | . | trans | -75.2 | 138.8 | 173.9 | -68.8 | -62.5 | -57.5 | 0 | 0 | 109.7 | Y170 L171 E505 Q509 | Y170-M507 HydrophobicContact CD1-CE 4.04Å; Y170-M507 HydrophobicContact CE1-CE 3.63Å; Y170-M507 HydrophobicContact CE2-CE 4.16Å; Y170-M507 HydrophobicContact CG-CE 4.47Å; Y170-M507 VanDerWaalsContact O-CE 3.29Å; Y170-M507 WeakPolarHBondContact O-CE 3.37Å; L171-M507 HydrophobicContact CD2-CE 4.21Å; L171-M507 HydrophobicContact CD2-CG 4.48Å; E505-M507 PolarHBondContact O-N 3.07Å; E505-M507 VanDerWaalsContact O-N 3.09Å; M507-Q509 PolarHBondContact O-N 3.44Å | ||
| 508 | D | 67.3 | Low | 75.2 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | trans | -59.3 | 109.5 | 168.9 | -75.6 | -24.4 | 0 | 0 | 0 | 109.4 | ||||
| 509 | Q | 70 | Confident | 74.6 | Confident | 53 Ų | 53 | 55 Ų | 55 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 135.5 | 177 | -67.3 | -167.8 | -22 | 0 | 0 | 109.4 | M507 T630 V632 E834 | M507-Q509 PolarHBondContact O-N 3.44Å; Q509-T630 HydrophobicContact CB-CG2 4.15Å; Q509-V632 VanDerWaalsContact OE1-CG2 3.28Å; Q509-E834 PolarHBondContact NE2-OE2 3.22Å |
| 510 | P | 68.8 | Low | 73.5 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 152.8 | 176.5 | 31.3 | -33.3 | 0 | 0 | 0 | 108.9 | R254 R512 | R254-P510 HydrophobicContact CG-CG 4.45Å; P510-R512 PolarHBondContact O-N 2.74Å |
| 511 | P | 73.2 | Confident | 72.5 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 19% | 0.188 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 141.5 | 171.1 | 25.9 | -34.1 | 0 | 0 | 0 | 110.2 | F515 M516 R629 | P511-F515 HydrophobicContact CB-CD1 4.09Å; P511-M516 HydrophobicContact CB-CG 3.95Å; P511-M516 HydrophobicContact CB-SD 4.35Å; P511-M516 HydrophobicContact CG-CG 3.86Å; P511-M516 HydrophobicContact CG-SD 3.64Å; P511-R629 CarbonylContact C-O 3.58Å; P511-R629 VanDerWaalsContact CA-O 3.31Å; P511-R629 WeakPolarHBondContact CA-O 3.4Å; P511-R629 HydrophobicContact CB-CG 4.39Å |
| 512 | R | 77.6 | Confident | 71.8 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 14% | 0.14 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 139 | 177.3 | -174.5 | -177.8 | 175.9 | -165.9 | 2.3 | 109.6 | P510 E514 F515 M516 D624 R629 | P510-R512 PolarHBondContact O-N 2.74Å; R512-E514 VanDerWaalsContact C-N 3.26Å; R512-E514 HydrophobicContact CG-CB 4.37Å; R512-E514 IonicContact CZ-OE1 3.95Å; R512-E514 IonicContact CZ-OE2 2.63Å; R512-E514 IonicContact NE-OE1 3.71Å; R512-E514 PolarHBondContact NE-OE1 3.46Å; R512-E514 IonicContact NE-OE2 3.82Å; R512-E514 IonicContact NH1-OE2 2.97Å; R512-E514 IonicContact NH2-OE1 3.98Å; R512-E514 PolarHBondContact NH2-OE1 2.9Å; R512-E514 IonicContact NH2-OE2 2.73Å; R512-E514 PolarHBondContact NH2-OE2 2.84Å; R512-E514 PolarHBondContact O-N 3.36Å; R512-F515 HydrophobicContact CB-CB 4.1Å; R512-F515 VanDerWaalsContact O-CB 3.31Å; R512-F515 WeakPolarHBondContact O-CB 3.46Å; R512-F515 PolarHBondContact O-N 3.05Å; R512-M516 PolarHBondContact O-N 3.41Å; R512-M516 VanDerWaalsContact O-N 3.09Å; R512-D624 IonicContact NH1-OD1 3.71Å; R512-D624 PolarHBondContact NH1-OD1 3Å; R512-D624 IonicContact NH2-OD1 3.87Å; R512-R629 PolarHBondContact N-O 3.12Å |
| 513 | P | 69.6 | Low | 71.1 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 29% | 0.286 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.9 | -36.2 | -178.8 | 20.8 | -33.3 | 0 | 0 | 0 | 113 | M516 A517 | P513-M516 PolarHBondContact O-N 3.22Å; P513-A517 WeakPolarHBondContact O-CB 3.33Å; P513-A517 PolarHBondContact O-N 3.42Å |
| 514 | E | 71.3 | Confident | 70.9 | Confident | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 175.1 | -67.1 | 173 | -138.7 | 0 | 0 | 112.5 | R512 M516 A517 L518 | R512-E514 VanDerWaalsContact C-N 3.26Å; R512-E514 HydrophobicContact CG-CB 4.37Å; R512-E514 IonicContact CZ-OE1 3.95Å; R512-E514 IonicContact CZ-OE2 2.63Å; R512-E514 IonicContact NE-OE1 3.71Å; R512-E514 PolarHBondContact NE-OE1 3.46Å; R512-E514 IonicContact NE-OE2 3.82Å; R512-E514 IonicContact NH1-OE2 2.97Å; R512-E514 IonicContact NH2-OE1 3.98Å; R512-E514 PolarHBondContact NH2-OE1 2.9Å; R512-E514 IonicContact NH2-OE2 2.73Å; R512-E514 PolarHBondContact NH2-OE2 2.84Å; R512-E514 PolarHBondContact O-N 3.36Å; E514-M516 VanDerWaalsContact C-N 3.33Å; E514-M516 PolarHBondContact O-N 2.92Å; E514-A517 PolarHBondContact O-N 3.42Å; E514-L518 WeakPolarHBondContact O-CB 3.48Å; E514-L518 VanDerWaalsContact O-CG 3.24Å; E514-L518 WeakPolarHBondContact O-CG 3.35Å; E514-L518 PolarHBondContact O-N 3.15Å |
| 515 | F | 73.3 | Confident | 70.6 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175 | 177.1 | -90.1 | 0 | 0 | 0 | 110.8 | P511 R512 L519 P536 I538 H627 H628 R629 | P511-F515 HydrophobicContact CB-CD1 4.09Å; R512-F515 HydrophobicContact CB-CB 4.1Å; R512-F515 VanDerWaalsContact O-CB 3.31Å; R512-F515 WeakPolarHBondContact O-CB 3.46Å; R512-F515 PolarHBondContact O-N 3.05Å; F515-L519 HydrophobicContact CD1-CD1 4.03Å; F515-L519 HydrophobicContact CD2-CD1 3.63Å; F515-L519 HydrophobicContact CE1-CD1 3.75Å; F515-L519 HydrophobicContact CE2-CD1 3.32Å; F515-L519 HydrophobicContact CG-CD1 3.98Å; F515-L519 HydrophobicContact CZ-CD1 3.38Å; F515-L519 WeakPolarHBondContact O-CB 3.38Å; F515-L519 WeakPolarHBondContact O-CD1 3.36Å; F515-L519 VanDerWaalsContact O-CG 3.26Å; F515-L519 WeakPolarHBondContact O-CG 3.39Å; F515-L519 PolarHBondContact O-N 2.82Å; F515-P536 HydrophobicContact CE1-CG 4.18Å; F515-I538 HydrophobicContact CE2-CD1 3.82Å; F515-I538 HydrophobicContact CE2-CG1 4.37Å; F515-I538 HydrophobicContact CZ-CD1 4.47Å; F515-H627 HydrophobicContact CD2-CB 4.13Å; F515-H627 VanDerWaalsContact CD2-O 3.29Å; F515-H627 WeakPolarHBondContact CD2-O 3.36Å; F515-H627 HydrophobicContact CE2-CB 4.33Å; F515-H627 WeakPolarHBondContact CE2-O 3.45Å; F515-H628 VanDerWaalsContact CD2-O 3.32Å; F515-H628 WeakPolarHBondContact CD2-O 3.17Å; F515-R629 HydrophobicContact CE1-CB 4.5Å; F515-R629 HydrophobicContact CE1-CG 4.32Å; F515-R629 HydrophobicContact CE2-CB 4.31Å; F515-R629 HydrophobicContact CZ-CB 4.23Å; F515-R629 HydrophobicContact CZ-CG 4.46Å |
| 516 | M | 68.7 | Low | 70.7 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 23% | 0.232 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 175.5 | -64.7 | -171.4 | 75.1 | 0 | 0 | 112.1 | L304 P511 R512 P513 E514 L518 L519 S520 | L304-M516 HydrophobicContact CD1-CE 3.99Å; L304-M516 HydrophobicContact CD1-SD 3.98Å; L304-M516 HydrophobicContact CD2-SD 4.38Å; P511-M516 HydrophobicContact CB-CG 3.95Å; P511-M516 HydrophobicContact CB-SD 4.35Å; P511-M516 HydrophobicContact CG-CG 3.86Å; P511-M516 HydrophobicContact CG-SD 3.64Å; R512-M516 PolarHBondContact O-N 3.41Å; R512-M516 VanDerWaalsContact O-N 3.09Å; P513-M516 PolarHBondContact O-N 3.22Å; E514-M516 VanDerWaalsContact C-N 3.33Å; E514-M516 PolarHBondContact O-N 2.92Å; M516-L518 PolarHBondContact O-N 3.1Å; M516-L519 PolarHBondContact O-N 3.42Å; M516-S520 VanDerWaalsContact O-CB 3.26Å; M516-S520 WeakPolarHBondContact O-CB 3.39Å; M516-S520 PolarHBondContact O-N 2.78Å |
| 517 | A | 65.7 | Low | 71.1 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 48% | 0.479 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P513 E514 S520 | P513-A517 WeakPolarHBondContact O-CB 3.33Å; P513-A517 PolarHBondContact O-N 3.42Å; E514-A517 PolarHBondContact O-N 3.42Å; A517-S520 PolarHBondContact O-OG 3.05Å |
| 518 | L | 69 | Low | 71.4 | Confident | 102 Ų | 102 | 72.7 Ų | 72.7 | 53% | 0.534 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.8 | -35.3 | -178.2 | -69.9 | 170.7 | 0 | 0 | 0 | 113 | E514 M516 | E514-L518 WeakPolarHBondContact O-CB 3.48Å; E514-L518 VanDerWaalsContact O-CG 3.24Å; E514-L518 WeakPolarHBondContact O-CG 3.35Å; E514-L518 PolarHBondContact O-N 3.15Å; M516-L518 PolarHBondContact O-N 3.1Å |
| 519 | L | 72.6 | Confident | 72 | Confident | 11 Ų | 11 | 73.8 Ų | 73.8 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -97.5 | -13.3 | -172.4 | -57.1 | 174.5 | 0 | 0 | 0 | 113.8 | F515 M516 K521 R522 C523 P536 I538 | F515-L519 HydrophobicContact CD1-CD1 4.03Å; F515-L519 HydrophobicContact CD2-CD1 3.63Å; F515-L519 HydrophobicContact CE1-CD1 3.75Å; F515-L519 HydrophobicContact CE2-CD1 3.32Å; F515-L519 HydrophobicContact CG-CD1 3.98Å; F515-L519 HydrophobicContact CZ-CD1 3.38Å; F515-L519 WeakPolarHBondContact O-CB 3.38Å; F515-L519 WeakPolarHBondContact O-CD1 3.36Å; F515-L519 VanDerWaalsContact O-CG 3.26Å; F515-L519 WeakPolarHBondContact O-CG 3.39Å; F515-L519 PolarHBondContact O-N 2.82Å; M516-L519 PolarHBondContact O-N 3.42Å; L519-K521 PolarHBondContact O-N 2.7Å; L519-R522 PolarHBondContact O-N 2.91Å; L519-C523 HydrophobicContact CB-CB 4.24Å; L519-C523 HydrophobicContact CD2-CB 4.44Å; L519-C523 VanDerWaalsContact CD2-SG 3.55Å; L519-C523 PolarHBondContact O-N 2.9Å; L519-P536 HydrophobicContact CB-CB 3.71Å; L519-P536 HydrophobicContact CB-CG 3.97Å; L519-P536 HydrophobicContact CD1-CB 4.5Å; L519-I538 HydrophobicContact CD1-CD1 4.02Å; L519-I538 HydrophobicContact CD1-CG1 3.89Å; L519-I538 HydrophobicContact CD2-CG1 4.41Å |
| 520 | S | 63.7 | Low | 72.2 | Confident | 41 Ų | 41 | 77.5 Ų | 77.5 | 29% | 0.287 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -32.7 | 179.8 | 61 | 0 | 0 | 0 | 0 | 114.2 | M516 A517 R525 | M516-S520 VanDerWaalsContact O-CB 3.26Å; M516-S520 WeakPolarHBondContact O-CB 3.39Å; M516-S520 PolarHBondContact O-N 2.78Å; A517-S520 PolarHBondContact O-OG 3.05Å; S520-R525 PolarHBondContact O-NH2 2.98Å |
| 521 | K | 64.5 | Low | 72.4 | Confident | 202 Ų | 202 | 76.5 Ų | 76.5 | 88% | 0.878 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -20.1 | -175.5 | -62.7 | -173.2 | 178.8 | -173.1 | 0 | 115.1 | L519 | L519-K521 PolarHBondContact O-N 2.7Š|
| 522 | R | 69.5 | Low | 72.4 | Confident | 196 Ų | 196 | 77.5 Ų | 77.5 | 74% | 0.74 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | -7.4 | -160.5 | -159.3 | -177.7 | -90.4 | 174.1 | -5.9 | 115.1 | L519 R543 | L519-R522 PolarHBondContact O-N 2.91Å; R522-R543 PolarHBondContact O-NH1 3.4Å; R522-R543 PolarHBondContact O-NH2 3.42Å |
| 523 | C | 73.6 | Confident | 71.9 | Confident | 14 Ų | 14 | 82.7 Ų | 82.7 | 10% | 0.095 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -120 | 149.6 | -176.3 | -82.8 | 0 | 0 | 0 | 0 | 112.9 | L519 P536 R543 | L519-C523 HydrophobicContact CB-CB 4.24Å; L519-C523 HydrophobicContact CD2-CB 4.44Å; L519-C523 VanDerWaalsContact CD2-SG 3.55Å; L519-C523 PolarHBondContact O-N 2.9Å; C523-P536 HydrophobicContact CB-CB 4.38Å; C523-R543 PolarHBondContact SG-NH1 2.99Å |
| 524 | P | 76.3 | Confident | 71.9 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | trans | -64.2 | 149.5 | 171 | 30.8 | -36 | 0 | 0 | 0 | 110.4 | F537 | P524-F537 HydrophobicContact CB-CD1 4.23Å; P524-F537 HydrophobicContact CB-CE1 3.51Å; P524-F537 HydrophobicContact CB-CZ 3.9Å; P524-F537 HydrophobicContact CG-CD1 4Å; P524-F537 HydrophobicContact CG-CE1 3.43Å; P524-F537 VanDerWaalsContact CG-CE1 3.43Å; P524-F537 HydrophobicContact CG-CE2 4.04Å; P524-F537 HydrophobicContact CG-CZ 3.44Å; P524-F537 VanDerWaalsContact CG-CZ 3.44Å; P524-F537 WeakPolarHBondContact O-CD1 3.33Å; P524-F537 PolarHBondContact O-N 2.66Å | ||
| 525 | R | 74.1 | Confident | 71.9 | Confident | 139 Ų | 139 | 79.9 Ų | 79.9 | 53% | 0.525 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138.3 | -178.7 | -79.4 | -172.4 | -179.8 | 90.6 | 5 | 109.5 | S520 V534 E535 | S520-R525 PolarHBondContact O-NH2 2.98Å; R525-V534 HydrophobicContact CB-CG1 3.53Å; R525-V534 HydrophobicContact CG-CG1 4.18Å; R525-E535 WeakPolarHBondContact CA-O 3.44Å |
| 526 | K | 76.4 | Confident | 72.1 | Confident | 136 Ų | 136 | 80 Ų | 80 | 59% | 0.591 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.1 | 176.5 | -177 | 175.1 | 179.9 | 179.6 | 0 | 109.7 | N528 V534 E535 F537 | K526-N528 PolarHBondContact O-N 3.25Å; K526-V534 WeakPolarHBondContact O-CA 3.39Å; K526-E535 PolarHBondContact N-O 3.25Å; K526-E535 PolarHBondContact O-N 2.84Å; K526-F537 HydrophobicContact CB-CB 4.39Å; K526-F537 HydrophobicContact CB-CD1 3.36Å; K526-F537 HydrophobicContact CB-CE1 3.81Å; K526-F537 HydrophobicContact CB-CG 4.09Å |
| 527 | V | 79.2 | Confident | 72.6 | Confident | 84 Ų | 84 | 81.4 Ų | 81.4 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 123.2 | 171.9 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | S529 V534 | V527-S529 PolarHBondContact O-N 3.29Å; V527-V534 HydrophobicContact CG2-CG2 3.63Å |
| 528 | N | 75.9 | Confident | 73.5 | Confident | 19 Ų | 19 | 80 Ų | 80 | 10% | 0.102 | 41% | 0.406 | C | S | . | . | trans | -67.6 | 124.6 | 169.8 | -176.7 | -0.5 | 0 | 0 | 0 | 109.2 | K526 L530 T531 G532 Y533 E535 R629 | K526-N528 PolarHBondContact O-N 3.25Å; N528-L530 PolarHBondContact O-N 3.4Å; N528-L530 PolarHBondContact OD1-N 3.33Å; N528-L530 VanDerWaalsContact OD1-N 3.12Å; N528-T531 WeakPolarHBondContact CB-OG1 3.31Å; N528-T531 WeakPolarHBondContact ND2-CG2 2.98Å; N528-T531 PolarHBondContact ND2-OG1 2.87Å; N528-G532 VanDerWaalsContact O-CA 3.3Å; N528-G532 WeakPolarHBondContact O-CA 3.22Å; N528-G532 PolarHBondContact O-N 3.28Å; N528-Y533 WeakPolarHBondContact CB-O 3.46Å; N528-Y533 PolarHBondContact N-O 3.43Å; N528-E535 HydrophobicContact CB-CG 4.29Å; N528-E535 WeakPolarHBondContact CB-OE1 3.42Å; N528-R629 PolarHBondContact ND2-NH2 3.12Å | ||
| 529 | S | 79.2 | Confident | 74.2 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 79% | 0.79 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.2 | -179 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | V527 | V527-S529 PolarHBondContact O-N 3.29Š|
| 530 | L | 74.7 | Confident | 74.8 | Confident | 131 Ų | 131 | 80 Ų | 80 | 69% | 0.686 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -50.6 | 178.5 | -85.3 | 76.3 | 0 | 0 | 0 | 112.1 | N528 | N528-L530 PolarHBondContact O-N 3.4Å; N528-L530 PolarHBondContact OD1-N 3.33Å; N528-L530 VanDerWaalsContact OD1-N 3.12Å |
| 531 | T | 72.1 | Confident | 75.9 | Confident | 41 Ų | 41 | 88 Ų | 88 | 25% | 0.252 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -13.1 | -173.1 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | N528 Y533 | N528-T531 WeakPolarHBondContact CB-OG1 3.31Å; N528-T531 WeakPolarHBondContact ND2-CG2 2.98Å; N528-T531 PolarHBondContact ND2-OG1 2.87Å; T531-Y533 VanDerWaalsContact CB-CD2 3.42Å; T531-Y533 HydrophobicContact CG2-CD2 4.37Å; T531-Y533 PolarHBondContact O-N 3.41Å; T531-Y533 VanDerWaalsContact O-N 3.11Å; T531-Y533 WeakPolarHBondContact OG1-CD2 3.32Å; T531-Y533 PolarHBondContact OG1-N 3.11Å |
| 532 | G | 73.2 | Confident | 76.9 | Confident | 50 Ų | 50 | 88.8 Ų | 88.8 | 52% | 0.515 | 43% | 0.426 | S | S | . | . | trans | 69.1 | -0.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N528 | N528-G532 VanDerWaalsContact O-CA 3.3Å; N528-G532 WeakPolarHBondContact O-CA 3.22Å; N528-G532 PolarHBondContact O-N 3.28Å | ||
| 533 | Y | 67.8 | Low | 77.6 | Confident | 146 Ų | 146 | 83.7 Ų | 83.7 | 57% | 0.573 | 41% | 0.406 | S | S | * | . | trans | -84.5 | 139.2 | 179.8 | -59.2 | -53 | 0 | 0 | 0 | 111.1 | N528 T531 E535 | N528-Y533 WeakPolarHBondContact CB-O 3.46Å; N528-Y533 PolarHBondContact N-O 3.43Å; T531-Y533 VanDerWaalsContact CB-CD2 3.42Å; T531-Y533 HydrophobicContact CG2-CD2 4.37Å; T531-Y533 PolarHBondContact O-N 3.41Å; T531-Y533 VanDerWaalsContact O-N 3.11Å; T531-Y533 WeakPolarHBondContact OG1-CD2 3.32Å; T531-Y533 PolarHBondContact OG1-N 3.11Å; Y533-E535 PolarHBondContact O-N 3.43Å | ||
| 534 | V | 70.1 | Confident | 78.2 | Confident | 45 Ų | 45 | 87.3 Ų | 87.3 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123.4 | 168.7 | -175.6 | 0 | 0 | 0 | 0 | 109 | L296 R525 K526 V527 | L296-V534 HydrophobicContact CD1-CB 4.42Å; L296-V534 HydrophobicContact CD1-CG2 3.5Å; L296-V534 VanDerWaalsContact CD1-CG2 3.5Å; L296-V534 HydrophobicContact CD2-CB 3.25Å; L296-V534 HydrophobicContact CD2-CG1 4.42Å; L296-V534 HydrophobicContact CD2-CG2 3.29Å; L296-V534 HydrophobicContact CG-CB 4.46Å; L296-V534 HydrophobicContact CG-CG2 4.03Å; R525-V534 HydrophobicContact CB-CG1 3.53Å; R525-V534 HydrophobicContact CG-CG1 4.18Å; K526-V534 WeakPolarHBondContact O-CA 3.39Å; V527-V534 HydrophobicContact CG2-CG2 3.63Å |
| 535 | E | 71.1 | Confident | 78.9 | Confident | 28 Ų | 28 | 86.2 Ų | 86.2 | 13% | 0.131 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153 | 179 | 59.2 | -175.8 | -179.3 | 0 | 0 | 110.6 | R525 K526 N528 Y533 F537 R629 | R525-E535 WeakPolarHBondContact CA-O 3.44Å; K526-E535 PolarHBondContact N-O 3.25Å; K526-E535 PolarHBondContact O-N 2.84Å; N528-E535 HydrophobicContact CB-CG 4.29Å; N528-E535 WeakPolarHBondContact CB-OE1 3.42Å; Y533-E535 PolarHBondContact O-N 3.43Å; E535-F537 PolarHBondContact O-N 2.93Å; E535-R629 IonicContact OE1-CZ 3.83Å; E535-R629 IonicContact OE1-NE 2.63Å; E535-R629 IonicContact OE1-NH1 3.79Å; E535-R629 PolarHBondContact OE1-NH1 3.43Å; E535-R629 IonicContact OE1-NH2 3.14Å; E535-R629 PolarHBondContact OE1-NH2 3.39Å; E535-R629 IonicContact OE2-CZ 2.6Å; E535-R629 IonicContact OE2-NE 3.18Å; E535-R629 PolarHBondContact OE2-NE 3Å; E535-R629 IonicContact OE2-NH1 2.88Å; E535-R629 IonicContact OE2-NH2 3.08Å; E535-R629 PolarHBondContact OE2-NH2 3.05Å |
| 536 | P | 76.7 | Confident | 79.7 | Confident | 15 Ų | 15 | 82.3 Ų | 82.3 | 10% | 0.097 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 128.9 | 171.4 | 27 | -32.4 | 0 | 0 | 0 | 109.2 | F515 L519 C523 | F515-P536 HydrophobicContact CE1-CG 4.18Å; L519-P536 HydrophobicContact CB-CB 3.71Å; L519-P536 HydrophobicContact CB-CG 3.97Å; L519-P536 HydrophobicContact CD1-CB 4.5Å; C523-P536 HydrophobicContact CB-CB 4.38Å |
| 537 | F | 79.5 | Confident | 80.3 | Confident | 77 Ų | 77 | 77.6 Ų | 77.6 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | trans | -111.4 | 145.9 | 174.2 | 82.3 | -87.2 | 0 | 0 | 0 | 110.5 | P524 K526 E535 P539 | P524-F537 HydrophobicContact CB-CD1 4.23Å; P524-F537 HydrophobicContact CB-CE1 3.51Å; P524-F537 HydrophobicContact CB-CZ 3.9Å; P524-F537 HydrophobicContact CG-CD1 4Å; P524-F537 HydrophobicContact CG-CE1 3.43Å; P524-F537 VanDerWaalsContact CG-CE1 3.43Å; P524-F537 HydrophobicContact CG-CE2 4.04Å; P524-F537 HydrophobicContact CG-CZ 3.44Å; P524-F537 VanDerWaalsContact CG-CZ 3.44Å; P524-F537 WeakPolarHBondContact O-CD1 3.33Å; P524-F537 PolarHBondContact O-N 2.66Å; K526-F537 HydrophobicContact CB-CB 4.39Å; K526-F537 HydrophobicContact CB-CD1 3.36Å; K526-F537 HydrophobicContact CB-CE1 3.81Å; K526-F537 HydrophobicContact CB-CG 4.09Å; E535-F537 PolarHBondContact O-N 2.93Å; F537-P539 HydrophobicContact CE2-CB 4.27Å | ||
| 538 | I | 83.5 | Confident | 80.7 | Confident | 30 Ų | 30 | 77.3 Ų | 77.3 | 15% | 0.154 | 38% | 0.381 | C | S | . | . | trans | -92.9 | 118 | 175.2 | -56.4 | 174.6 | 0 | 0 | 0 | 107.5 | F515 L519 F540 R543 K544 H627 | F515-I538 HydrophobicContact CE2-CD1 3.82Å; F515-I538 HydrophobicContact CE2-CG1 4.37Å; F515-I538 HydrophobicContact CZ-CD1 4.47Å; L519-I538 HydrophobicContact CD1-CD1 4.02Å; L519-I538 HydrophobicContact CD1-CG1 3.89Å; L519-I538 HydrophobicContact CD2-CG1 4.41Å; I538-F540 PolarHBondContact O-N 3.3Å; I538-R543 HydrophobicContact CG2-CB 3.65Å; I538-K544 HydrophobicContact CG2-CB 4.06Å; I538-H627 HydrophobicContact CD1-CB 3.56Å | ||
| 539 | P | 84.7 | Confident | 81.5 | Confident | 31 Ų | 31 | 81.2 Ų | 81.2 | 20% | 0.201 | 40% | 0.401 | C | S | . | . | trans | -60.4 | 124.2 | 176.6 | 23.7 | -32.4 | 0 | 0 | 0 | 109.8 | F537 R542 R543 K544 | F537-P539 HydrophobicContact CE2-CB 4.27Å; P539-R542 HydrophobicContact CB-CB 4.27Å; P539-R542 HydrophobicContact CG-CB 4.23Å; P539-R543 HydrophobicContact CG-CB 4.27Å; P539-R543 HydrophobicContact CG-CG 4.24Å; P539-R543 PolarHBondContact O-N 3.5Å; P539-K544 PolarHBondContact O-N 3.1Å | ||
| 540 | F | 85.2 | Confident | 82.1 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | I | π-helix | trans | -57.1 | -59.4 | -169.7 | -179.4 | -98.6 | 0 | 0 | 0 | 111.9 | I538 K544 V545 | I538-F540 PolarHBondContact O-N 3.3Å; F540-K544 HydrophobicContact CD2-CB 4.46Å; F540-K544 HydrophobicContact CD2-CD 4.12Å; F540-K544 WeakPolarHBondContact O-CB 3.44Å; F540-K544 PolarHBondContact O-N 3.44Å; F540-K544 VanDerWaalsContact O-N 3.13Å; F540-V545 HydrophobicContact CD1-CG2 3.94Å; F540-V545 HydrophobicContact CE1-CG2 3.59Å; F540-V545 HydrophobicContact CE2-CG2 4.36Å; F540-V545 HydrophobicContact CG-CG2 4.46Å; F540-V545 HydrophobicContact CZ-CG2 3.82Å; F540-V545 WeakPolarHBondContact O-CG2 3.24Å; F540-V545 PolarHBondContact O-N 3.21Å |
| 541 | W | 86.8 | Confident | 82.9 | Confident | 208 Ų | 208 | 73.7 Ų | 73.7 | 79% | 0.788 | 36% | 0.356 | S | S | * | . | I | π-helix | trans | -71.4 | -37.5 | -175.8 | -63.8 | 108.6 | 0 | 0 | 0 | 113.7 | V545 | W541-V545 HydrophobicContact CE3-CG2 4.19Å |
| 542 | R | 86.3 | Confident | 83.7 | Confident | 220 Ų | 220 | 78.4 Ų | 78.4 | 83% | 0.83 | 37% | 0.373 | S | S | * | . | I | π-helix | trans | -82.3 | -27.2 | -173 | -165.5 | 175.7 | -178.2 | -170.9 | 2 | 113.9 | P539 | P539-R542 HydrophobicContact CB-CB 4.27Å; P539-R542 HydrophobicContact CG-CB 4.23Å |
| 543 | R | 84 | Confident | 84.7 | Confident | 88 Ų | 88 | 79.3 Ų | 79.3 | 33% | 0.332 | 37% | 0.371 | S | S | . | . | I | π-helix | trans | -132.2 | -45 | -176.6 | -75 | -167.4 | 177.4 | 166.9 | 6.9 | 114.3 | R522 C523 I538 P539 P546 I547 | R522-R543 PolarHBondContact O-NH1 3.4Å; R522-R543 PolarHBondContact O-NH2 3.42Å; C523-R543 PolarHBondContact SG-NH1 2.99Å; I538-R543 HydrophobicContact CG2-CB 3.65Å; P539-R543 HydrophobicContact CG-CB 4.27Å; P539-R543 HydrophobicContact CG-CG 4.24Å; P539-R543 PolarHBondContact O-N 3.5Å; R543-P546 WeakPolarHBondContact O-CD 3.47Å; R543-P546 WeakPolarHBondContact O-CG 3.33Å; R543-I547 WeakPolarHBondContact O-CB 3.46Å; R543-I547 WeakPolarHBondContact O-CD1 3.09Å; R543-I547 VanDerWaalsContact O-CG1 3.23Å; R543-I547 WeakPolarHBondContact O-CG1 3.16Å; R543-I547 PolarHBondContact O-N 2.98Å |
| 544 | K | 85.9 | Confident | 85.8 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -67.5 | -47.3 | -173.5 | -165.2 | 171.7 | -179.2 | 173.8 | 0 | 112 | I538 P539 F540 I547 I548 | I538-K544 HydrophobicContact CG2-CB 4.06Å; P539-K544 PolarHBondContact O-N 3.1Å; F540-K544 HydrophobicContact CD2-CB 4.46Å; F540-K544 HydrophobicContact CD2-CD 4.12Å; F540-K544 WeakPolarHBondContact O-CB 3.44Å; F540-K544 PolarHBondContact O-N 3.44Å; F540-K544 VanDerWaalsContact O-N 3.13Å; K544-I547 PolarHBondContact O-N 2.79Å; K544-I548 HydrophobicContact CG-CD1 3.81Å; K544-I548 HydrophobicContact CG-CG1 4.48Å; K544-I548 VanDerWaalsContact O-CG1 3.29Å; K544-I548 WeakPolarHBondContact O-CG1 3.23Å; K544-I548 PolarHBondContact O-N 3.39Å |
| 545 | V | 90 | Very high | 86.8 | Confident | 37 Ų | 37 | 73.2 Ų | 73.2 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -53.1 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 113 | F540 W541 I547 I548 L549 | F540-V545 HydrophobicContact CD1-CG2 3.94Å; F540-V545 HydrophobicContact CE1-CG2 3.59Å; F540-V545 HydrophobicContact CE2-CG2 4.36Å; F540-V545 HydrophobicContact CG-CG2 4.46Å; F540-V545 HydrophobicContact CZ-CG2 3.82Å; F540-V545 WeakPolarHBondContact O-CG2 3.24Å; F540-V545 PolarHBondContact O-N 3.21Å; W541-V545 HydrophobicContact CE3-CG2 4.19Å; V545-I547 VanDerWaalsContact C-N 3.28Å; V545-I547 PolarHBondContact O-N 3.46Å; V545-I548 PolarHBondContact O-N 3.36Å; V545-L549 HydrophobicContact CG1-CD1 3.97Å; V545-L549 HydrophobicContact CG1-CG 4.36Å; V545-L549 WeakPolarHBondContact O-CG 3.5Å; V545-L549 PolarHBondContact O-N 2.69Å |
| 546 | P | 90.8 | Very high | 87.8 | Confident | 57 Ų | 57 | 76 Ų | 76 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -35.6 | -179.8 | 20.9 | -31.9 | 0 | 0 | 0 | 112.7 | R543 L549 V550 | R543-P546 WeakPolarHBondContact O-CD 3.47Å; R543-P546 WeakPolarHBondContact O-CG 3.33Å; P546-L549 PolarHBondContact O-N 3.46Å; P546-V550 WeakPolarHBondContact O-CG2 3.4Å; P546-V550 PolarHBondContact O-N 2.94Å |
| 547 | I | 89.5 | Confident | 88.6 | Confident | 38 Ų | 38 | 80.6 Ų | 80.6 | 20% | 0.195 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 175.1 | -72.7 | 171.3 | 0 | 0 | 0 | 111.6 | R543 K544 V545 L549 V550 S551 I625 E626 | R543-I547 WeakPolarHBondContact O-CB 3.46Å; R543-I547 WeakPolarHBondContact O-CD1 3.09Å; R543-I547 VanDerWaalsContact O-CG1 3.23Å; R543-I547 WeakPolarHBondContact O-CG1 3.16Å; R543-I547 PolarHBondContact O-N 2.98Å; K544-I547 PolarHBondContact O-N 2.79Å; V545-I547 VanDerWaalsContact C-N 3.28Å; V545-I547 PolarHBondContact O-N 3.46Å; I547-L549 VanDerWaalsContact C-N 3.29Å; I547-L549 PolarHBondContact O-N 3.49Å; I547-V550 PolarHBondContact O-N 2.89Å; I547-S551 PolarHBondContact O-N 2.86Å; I547-I625 HydrophobicContact CG2-CG2 4.11Å; I547-I625 VanDerWaalsContact CG2-O 3.25Å; I547-I625 WeakPolarHBondContact CG2-O 3.38Å; I547-E626 HydrophobicContact CG2-CG 4.33Å |
| 548 | I | 88.4 | Confident | 89.2 | Confident | 78 Ų | 78 | 77.4 Ų | 77.4 | 40% | 0.4 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 176.4 | -70.8 | 169.8 | 0 | 0 | 0 | 110.5 | K544 V545 S551 F552 | K544-I548 HydrophobicContact CG-CD1 3.81Å; K544-I548 HydrophobicContact CG-CG1 4.48Å; K544-I548 VanDerWaalsContact O-CG1 3.29Å; K544-I548 WeakPolarHBondContact O-CG1 3.23Å; K544-I548 PolarHBondContact O-N 3.39Å; V545-I548 PolarHBondContact O-N 3.36Å; I548-S551 PolarHBondContact O-N 3.03Å; I548-F552 WeakPolarHBondContact O-CB 3.48Å; I548-F552 PolarHBondContact O-N 2.98Å |
| 549 | L | 92 | Very high | 89.6 | Confident | 101 Ų | 101 | 77.5 Ų | 77.5 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.3 | -71.8 | 173 | 0 | 0 | 0 | 112.1 | V545 P546 I547 F552 S553 | V545-L549 HydrophobicContact CG1-CD1 3.97Å; V545-L549 HydrophobicContact CG1-CG 4.36Å; V545-L549 WeakPolarHBondContact O-CG 3.5Å; V545-L549 PolarHBondContact O-N 2.69Å; P546-L549 PolarHBondContact O-N 3.46Å; I547-L549 VanDerWaalsContact C-N 3.29Å; I547-L549 PolarHBondContact O-N 3.49Å; L549-F552 PolarHBondContact O-N 3.06Å; L549-S553 VanDerWaalsContact O-CB 3.24Å; L549-S553 WeakPolarHBondContact O-CB 3.49Å; L549-S553 PolarHBondContact O-N 3.49Å; L549-S553 PolarHBondContact O-OG 3.35Å |
| 550 | V | 91.9 | Very high | 90 | Very high | 79 Ų | 79 | 81 Ų | 81 | 48% | 0.479 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 173.9 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | P546 I547 S553 T554 | P546-V550 WeakPolarHBondContact O-CG2 3.4Å; P546-V550 PolarHBondContact O-N 2.94Å; I547-V550 PolarHBondContact O-N 2.89Å; V550-S553 PolarHBondContact O-N 3.16Å; V550-T554 HydrophobicContact CG1-CG2 4.36Å; V550-T554 WeakPolarHBondContact O-CB 3.24Å; V550-T554 VanDerWaalsContact O-CG2 3.27Å; V550-T554 WeakPolarHBondContact O-CG2 3.39Å; V550-T554 PolarHBondContact O-N 3.36Å; V550-T554 PolarHBondContact O-OG1 2.9Å |
| 551 | S | 91 | Very high | 90.2 | Very high | 6 Ų | 6 | 80.6 Ų | 80.6 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 177 | -177 | 0 | 0 | 0 | 0 | 112.2 | I547 I548 S553 T554 V555 E626 K641 | I547-S551 PolarHBondContact O-N 2.86Å; I548-S551 PolarHBondContact O-N 3.03Å; S551-S553 PolarHBondContact O-N 3.49Å; S551-T554 WeakPolarHBondContact CA-OG1 3.47Å; S551-T554 PolarHBondContact O-N 2.78Å; S551-T554 PolarHBondContact O-OG1 3.13Å; S551-V555 VanDerWaalsContact O-CG2 3.31Å; S551-V555 WeakPolarHBondContact O-CG2 3.35Å; S551-V555 PolarHBondContact O-N 3.47Å; S551-E626 WeakPolarHBondContact CB-OE1 3.22Å; S551-E626 PolarHBondContact OG-OE1 3.13Å; S551-K641 WeakPolarHBondContact OG-CE 3.42Å |
| 552 | F | 90.6 | Very high | 90.4 | Very high | 141 Ų | 141 | 71 Ų | 71 | 62% | 0.618 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62 | -44.3 | 176.4 | -176.1 | -97.5 | 0 | 0 | 0 | 111.9 | I548 L549 T554 V555 L556 | I548-F552 WeakPolarHBondContact O-CB 3.48Å; I548-F552 PolarHBondContact O-N 2.98Å; L549-F552 PolarHBondContact O-N 3.06Å; F552-T554 PolarHBondContact O-N 3.23Å; F552-V555 PolarHBondContact O-N 3.16Å; F552-L556 WeakPolarHBondContact O-CB 3.5Å; F552-L556 PolarHBondContact O-N 3Å |
| 553 | S | 93.1 | Very high | 90.7 | Very high | 68 Ų | 68 | 64 Ų | 64 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 179.5 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | L549 V550 S551 L556 L557 | L549-S553 VanDerWaalsContact O-CB 3.24Å; L549-S553 WeakPolarHBondContact O-CB 3.49Å; L549-S553 PolarHBondContact O-N 3.49Å; L549-S553 PolarHBondContact O-OG 3.35Å; V550-S553 PolarHBondContact O-N 3.16Å; S551-S553 PolarHBondContact O-N 3.49Å; S553-L556 PolarHBondContact O-N 3.29Å; S553-L557 WeakPolarHBondContact O-CB 3.49Å; S553-L557 PolarHBondContact O-N 3.39Å |
| 554 | T | 91.4 | Very high | 91 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 27% | 0.27 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.6 | -38 | 177.2 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | V550 S551 F552 L557 T558 L622 | V550-T554 HydrophobicContact CG1-CG2 4.36Å; V550-T554 WeakPolarHBondContact O-CB 3.24Å; V550-T554 VanDerWaalsContact O-CG2 3.27Å; V550-T554 WeakPolarHBondContact O-CG2 3.39Å; V550-T554 PolarHBondContact O-N 3.36Å; V550-T554 PolarHBondContact O-OG1 2.9Å; S551-T554 WeakPolarHBondContact CA-OG1 3.47Å; S551-T554 PolarHBondContact O-N 2.78Å; S551-T554 PolarHBondContact O-OG1 3.13Å; F552-T554 PolarHBondContact O-N 3.23Å; T554-L557 PolarHBondContact O-N 3.39Å; T554-T558 PolarHBondContact O-N 3.28Å; T554-T558 PolarHBondContact O-OG1 3.11Å; T554-L622 HydrophobicContact CG2-CD2 4.17Å; T554-L622 WeakPolarHBondContact OG1-CD1 3.38Å; T554-L622 WeakPolarHBondContact OG1-CD2 3.5Å |
| 555 | V | 91.7 | Very high | 91.3 | Very high | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 170.6 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | S551 F552 T558 V559 L622 K641 L645 | S551-V555 VanDerWaalsContact O-CG2 3.31Å; S551-V555 WeakPolarHBondContact O-CG2 3.35Å; S551-V555 PolarHBondContact O-N 3.47Å; F552-V555 PolarHBondContact O-N 3.16Å; V555-T558 WeakPolarHBondContact CA-OG1 3.36Å; V555-T558 PolarHBondContact O-N 2.8Å; V555-T558 PolarHBondContact O-OG1 2.78Å; V555-V559 WeakPolarHBondContact O-CG2 3.33Å; V555-V559 PolarHBondContact O-N 3.29Å; V555-L622 HydrophobicContact CG2-CD1 4.09Å; V555-K641 HydrophobicContact CG2-CD 4.17Å; V555-K641 HydrophobicContact CG2-CG 4.27Å; V555-L645 HydrophobicContact CG1-CD2 4.41Å |
| 556 | L | 92.1 | Very high | 91.3 | Very high | 87 Ų | 87 | 61.2 Ų | 61.2 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 176.5 | -176.5 | 64.6 | 0 | 0 | 0 | 112.1 | F552 S553 T558 V559 I560 | F552-L556 WeakPolarHBondContact O-CB 3.5Å; F552-L556 PolarHBondContact O-N 3Å; S553-L556 PolarHBondContact O-N 3.29Å; L556-T558 VanDerWaalsContact C-N 3.28Å; L556-T558 PolarHBondContact O-N 3.24Å; L556-V559 WeakPolarHBondContact O-CB 3.33Å; L556-V559 PolarHBondContact O-N 3.01Å; L556-I560 HydrophobicContact CG-CD1 4.38Å; L556-I560 WeakPolarHBondContact O-CG1 3.34Å; L556-I560 PolarHBondContact O-N 3.28Å |
| 557 | L | 93.1 | Very high | 91.2 | Very high | 111 Ų | 111 | 62.6 Ų | 62.6 | 58% | 0.581 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.3 | -39.2 | 176.9 | -177.9 | 148.4 | 0 | 0 | 0 | 111.7 | S553 T554 I560 L561 | S553-L557 WeakPolarHBondContact O-CB 3.49Å; S553-L557 PolarHBondContact O-N 3.39Å; T554-L557 PolarHBondContact O-N 3.39Å; L557-I560 WeakPolarHBondContact O-CB 3.43Å; L557-I560 PolarHBondContact O-N 3.22Å; L557-L561 PolarHBondContact O-N 3Å |
| 558 | T | 90.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73 | -33.8 | 176.4 | 44.9 | 0 | 0 | 0 | 0 | 113.5 | T554 V555 L556 I560 L561 T562 M618 L645 | T554-T558 PolarHBondContact O-N 3.28Å; T554-T558 PolarHBondContact O-OG1 3.11Å; V555-T558 WeakPolarHBondContact CA-OG1 3.36Å; V555-T558 PolarHBondContact O-N 2.8Å; V555-T558 PolarHBondContact O-OG1 2.78Å; L556-T558 VanDerWaalsContact C-N 3.28Å; L556-T558 PolarHBondContact O-N 3.24Å; T558-I560 VanDerWaalsContact C-N 3.32Å; T558-I560 PolarHBondContact O-N 3.09Å; T558-L561 WeakPolarHBondContact O-CB 3.49Å; T558-L561 PolarHBondContact O-N 2.85Å; T558-T562 WeakPolarHBondContact O-CG2 3.39Å; T558-T562 PolarHBondContact O-N 3.45Å; T558-M618 HydrophobicContact CG2-CE 3.71Å; T558-M618 HydrophobicContact CG2-SD 3.18Å; T558-M618 WeakPolarHBondContact CG2-SD 3.04Å; T558-M618 WeakPolarHBondContact OG1-CE 3.08Å; T558-L645 VanDerWaalsContact OG1-CD2 3.32Å; T558-L645 WeakPolarHBondContact OG1-CD2 3.37Å |
| 559 | V | 92 | Very high | 91.2 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 166.8 | 168.4 | 0 | 0 | 0 | 0 | 110.3 | V555 L556 L561 T562 L563 L645 V648 | V555-V559 WeakPolarHBondContact O-CG2 3.33Å; V555-V559 PolarHBondContact O-N 3.29Å; L556-V559 WeakPolarHBondContact O-CB 3.33Å; L556-V559 PolarHBondContact O-N 3.01Å; V559-L561 VanDerWaalsContact C-N 3.33Å; V559-L561 PolarHBondContact O-N 3.37Å; V559-T562 WeakPolarHBondContact O-CB 3.41Å; V559-T562 PolarHBondContact O-N 3.4Å; V559-T562 VanDerWaalsContact O-N 3.14Å; V559-T562 PolarHBondContact O-OG1 2.91Å; V559-L563 WeakPolarHBondContact O-CG 3.36Å; V559-L563 PolarHBondContact O-N 3.01Å; V559-L563 VanDerWaalsContact O-N 3.14Å; V559-L645 HydrophobicContact CG2-CD2 4.17Å; V559-V648 HydrophobicContact CG1-CG1 4.19Å; V559-V648 HydrophobicContact CG1-CG2 4.31Å; V559-V648 HydrophobicContact CG2-CG2 4.27Å |
| 560 | I | 92.8 | Very high | 90.8 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.8 | -65.7 | 165.8 | 0 | 0 | 0 | 111.3 | L556 L557 T558 T562 L563 A564 | L556-I560 HydrophobicContact CG-CD1 4.38Å; L556-I560 WeakPolarHBondContact O-CG1 3.34Å; L556-I560 PolarHBondContact O-N 3.28Å; L557-I560 WeakPolarHBondContact O-CB 3.43Å; L557-I560 PolarHBondContact O-N 3.22Å; T558-I560 VanDerWaalsContact C-N 3.32Å; T558-I560 PolarHBondContact O-N 3.09Å; I560-T562 VanDerWaalsContact C-N 3.31Å; I560-T562 PolarHBondContact O-N 3.21Å; I560-L563 PolarHBondContact O-N 2.95Å; I560-L563 VanDerWaalsContact O-N 3.15Å; I560-A564 PolarHBondContact O-N 3.15Å |
| 561 | L | 91.2 | Very high | 90.5 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 175.8 | -178.1 | 65.2 | 0 | 0 | 0 | 111.7 | L557 T558 V559 L563 A564 F565 | L557-L561 PolarHBondContact O-N 3Å; T558-L561 WeakPolarHBondContact O-CB 3.49Å; T558-L561 PolarHBondContact O-N 2.85Å; V559-L561 VanDerWaalsContact C-N 3.33Å; V559-L561 PolarHBondContact O-N 3.37Å; L561-L563 VanDerWaalsContact C-N 3.29Å; L561-L563 PolarHBondContact O-N 3.42Å; L561-A564 WeakPolarHBondContact O-CB 3.1Å; L561-A564 PolarHBondContact O-N 3.17Å; L561-F565 HydrophobicContact CD1-CD2 4.14Å; L561-F565 HydrophobicContact CD1-CE2 3.72Å; L561-F565 HydrophobicContact CD2-CE2 4.2Å; L561-F565 HydrophobicContact CG-CD2 3.99Å; L561-F565 HydrophobicContact CG-CE2 3.73Å; L561-F565 VanDerWaalsContact O-CD2 3.25Å; L561-F565 WeakPolarHBondContact O-CD2 3.39Å; L561-F565 PolarHBondContact O-N 2.71Å |
| 562 | T | 90.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 176 | 76.3 | 0 | 0 | 0 | 0 | 111.6 | T558 V559 I560 A564 F565 L566 Y615 V648 | T558-T562 WeakPolarHBondContact O-CG2 3.39Å; T558-T562 PolarHBondContact O-N 3.45Å; V559-T562 WeakPolarHBondContact O-CB 3.41Å; V559-T562 PolarHBondContact O-N 3.4Å; V559-T562 VanDerWaalsContact O-N 3.14Å; V559-T562 PolarHBondContact O-OG1 2.91Å; I560-T562 VanDerWaalsContact C-N 3.31Å; I560-T562 PolarHBondContact O-N 3.21Å; T562-A564 VanDerWaalsContact C-N 3.33Å; T562-F565 PolarHBondContact O-N 3.5Å; T562-L566 PolarHBondContact O-N 2.83Å; T562-Y615 HydrophobicContact CG2-CE1 4.29Å; T562-Y615 HydrophobicContact CG2-CE2 4.33Å; T562-Y615 WeakPolarHBondContact CG2-OH 3.32Å; T562-V648 WeakPolarHBondContact OG1-CG1 3.45Å |
| 563 | L | 91.5 | Very high | 90.2 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.8 | -33.1 | 179 | -62.9 | 176 | 0 | 0 | 0 | 110.8 | V559 I560 L561 L566 V567 V648 | V559-L563 WeakPolarHBondContact O-CG 3.36Å; V559-L563 PolarHBondContact O-N 3.01Å; V559-L563 VanDerWaalsContact O-N 3.14Å; I560-L563 PolarHBondContact O-N 2.95Å; I560-L563 VanDerWaalsContact O-N 3.15Å; L561-L563 VanDerWaalsContact C-N 3.29Å; L561-L563 PolarHBondContact O-N 3.42Å; L563-L566 WeakPolarHBondContact O-CB 3.37Å; L563-L566 PolarHBondContact O-N 3.01Å; L563-V567 WeakPolarHBondContact O-CG2 3.46Å; L563-V567 PolarHBondContact O-N 2.86Å; L563-V648 HydrophobicContact CD2-CG1 4.3Å |
| 564 | A | 91.8 | Very high | 89.5 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I560 L561 T562 L566 V567 G568 | I560-A564 PolarHBondContact O-N 3.15Å; L561-A564 WeakPolarHBondContact O-CB 3.1Å; L561-A564 PolarHBondContact O-N 3.17Å; T562-A564 VanDerWaalsContact C-N 3.33Å; A564-L566 VanDerWaalsContact C-N 3.31Å; A564-L566 PolarHBondContact O-N 3.46Å; A564-V567 PolarHBondContact O-N 2.91Å; A564-G568 PolarHBondContact O-N 3.12Å |
| 565 | F | 91.6 | Very high | 89.1 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 36% | 0.36 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 172.3 | -82.7 | -74.2 | 0 | 0 | 0 | 112 | L561 T562 G568 V569 T607 L611 | L561-F565 HydrophobicContact CD1-CD2 4.14Å; L561-F565 HydrophobicContact CD1-CE2 3.72Å; L561-F565 HydrophobicContact CD2-CE2 4.2Å; L561-F565 HydrophobicContact CG-CD2 3.99Å; L561-F565 HydrophobicContact CG-CE2 3.73Å; L561-F565 VanDerWaalsContact O-CD2 3.25Å; L561-F565 WeakPolarHBondContact O-CD2 3.39Å; L561-F565 PolarHBondContact O-N 2.71Å; T562-F565 PolarHBondContact O-N 3.5Å; F565-G568 WeakPolarHBondContact O-CA 3.26Å; F565-G568 PolarHBondContact O-N 3.07Å; F565-G568 VanDerWaalsContact O-N 3.12Å; F565-V569 PolarHBondContact O-N 3.46Å; F565-T607 HydrophobicContact CB-CG2 4.2Å; F565-T607 HydrophobicContact CD1-CG2 4.14Å; F565-T607 HydrophobicContact CG-CG2 4.31Å; F565-L611 HydrophobicContact CB-CD1 4.43Å; F565-L611 HydrophobicContact CD2-CD1 4.26Å; F565-L611 HydrophobicContact CD2-CD2 3.95Å; F565-L611 HydrophobicContact CE2-CD2 3.87Å; F565-L611 HydrophobicContact CG-CD1 4.41Å |
| 566 | L | 88.9 | Confident | 88.9 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 173.6 | 176.5 | 74.7 | 0 | 0 | 0 | 111.4 | T562 L563 A564 G568 V569 V570 S653 | T562-L566 PolarHBondContact O-N 2.83Å; L563-L566 WeakPolarHBondContact O-CB 3.37Å; L563-L566 PolarHBondContact O-N 3.01Å; A564-L566 VanDerWaalsContact C-N 3.31Å; A564-L566 PolarHBondContact O-N 3.46Å; L566-G568 PolarHBondContact O-N 2.93Å; L566-V569 WeakPolarHBondContact O-CB 3.25Å; L566-V569 PolarHBondContact O-N 3.43Å; L566-V570 HydrophobicContact CG-CG2 4.47Å; L566-V570 WeakPolarHBondContact O-CG2 3.44Å; L566-V570 PolarHBondContact O-N 2.89Å; L566-S653 VanDerWaalsContact CD1-CB 3.45Å |
| 567 | V | 89.2 | Confident | 88.3 | Confident | 85 Ų | 85 | 52.7 Ų | 52.7 | 52% | 0.515 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 110 | L563 A564 V569 V570 L571 | L563-V567 WeakPolarHBondContact O-CG2 3.46Å; L563-V567 PolarHBondContact O-N 2.86Å; A564-V567 PolarHBondContact O-N 2.91Å; V567-V569 PolarHBondContact O-N 3.25Å; V567-V570 PolarHBondContact O-N 3.31Å; V567-L571 HydrophobicContact CG1-CD1 4.06Å; V567-L571 HydrophobicContact CG1-CG 4.28Å; V567-L571 WeakPolarHBondContact O-CB 3.45Å; V567-L571 VanDerWaalsContact O-CG 3.28Å; V567-L571 WeakPolarHBondContact O-CG 3.27Å; V567-L571 PolarHBondContact O-N 3.42Å |
| 568 | G | 89.9 | Confident | 87.5 | Confident | 38 Ų | 38 | 50 Ų | 50 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.9 | -44.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A564 F565 L566 L571 Y572 | A564-G568 PolarHBondContact O-N 3.12Å; F565-G568 WeakPolarHBondContact O-CA 3.26Å; F565-G568 PolarHBondContact O-N 3.07Å; F565-G568 VanDerWaalsContact O-N 3.12Å; L566-G568 PolarHBondContact O-N 2.93Å; G568-L571 PolarHBondContact O-N 2.9Å; G568-Y572 WeakPolarHBondContact O-CB 3.24Å; G568-Y572 PolarHBondContact O-N 3.44Å |
| 569 | V | 87.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.1 | -39 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | F565 L566 V567 Y572 K573 V603 N604 | F565-V569 PolarHBondContact O-N 3.46Å; L566-V569 WeakPolarHBondContact O-CB 3.25Å; L566-V569 PolarHBondContact O-N 3.43Å; V567-V569 PolarHBondContact O-N 3.25Å; V569-Y572 WeakPolarHBondContact O-CB 3.48Å; V569-Y572 PolarHBondContact O-N 2.84Å; V569-K573 PolarHBondContact O-N 2.78Å; V569-V603 HydrophobicContact CG2-CG1 4.4Å; V569-N604 HydrophobicContact CG1-CB 4.09Å; V569-N604 HydrophobicContact CG2-CB 4.49Å |
| 570 | V | 84.2 | Confident | 86.8 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 176 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L566 V567 Y572 K573 L574 Y656 | L566-V570 HydrophobicContact CG-CG2 4.47Å; L566-V570 WeakPolarHBondContact O-CG2 3.44Å; L566-V570 PolarHBondContact O-N 2.89Å; V567-V570 PolarHBondContact O-N 3.31Å; V570-Y572 VanDerWaalsContact C-N 3.33Å; V570-Y572 PolarHBondContact O-N 3.46Å; V570-K573 WeakPolarHBondContact O-CB 3.49Å; V570-K573 PolarHBondContact O-N 3.44Å; V570-L574 PolarHBondContact O-N 3.43Å; V570-Y656 HydrophobicContact CB-CE1 4.33Å; V570-Y656 HydrophobicContact CG1-CE1 3.87Å; V570-Y656 VanDerWaalsContact CG1-OH 3.27Å; V570-Y656 WeakPolarHBondContact CG1-OH 3.49Å; V570-Y656 HydrophobicContact CG2-CD1 3.72Å; V570-Y656 HydrophobicContact CG2-CE1 3.44Å; V570-Y656 VanDerWaalsContact CG2-CE1 3.44Å; V570-Y656 HydrophobicContact CG2-CE2 4.34Å; V570-Y656 HydrophobicContact CG2-CG 4.29Å |
| 571 | L | 86.1 | Confident | 86 | Confident | 87 Ų | 87 | 50.8 Ų | 50.8 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.2 | -69.8 | 174.3 | 0 | 0 | 0 | 111.3 | V567 G568 K573 L574 V575 | V567-L571 HydrophobicContact CG1-CD1 4.06Å; V567-L571 HydrophobicContact CG1-CG 4.28Å; V567-L571 WeakPolarHBondContact O-CB 3.45Å; V567-L571 VanDerWaalsContact O-CG 3.28Å; V567-L571 WeakPolarHBondContact O-CG 3.27Å; V567-L571 PolarHBondContact O-N 3.42Å; G568-L571 PolarHBondContact O-N 2.9Å; L571-K573 PolarHBondContact O-N 2.79Å; L571-L574 PolarHBondContact O-N 3.37Å; L571-V575 WeakPolarHBondContact O-CG2 3.21Å; L571-V575 PolarHBondContact O-N 2.96Å |
| 572 | Y | 89.7 | Confident | 85.4 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.5 | -48.5 | 172.9 | 168.8 | -92.1 | 0 | 0 | 0 | 111.6 | G568 V569 V570 L574 V575 I576 V603 | G568-Y572 WeakPolarHBondContact O-CB 3.24Å; G568-Y572 PolarHBondContact O-N 3.44Å; V569-Y572 WeakPolarHBondContact O-CB 3.48Å; V569-Y572 PolarHBondContact O-N 2.84Å; V570-Y572 VanDerWaalsContact C-N 3.33Å; V570-Y572 PolarHBondContact O-N 3.46Å; Y572-L574 VanDerWaalsContact C-N 3.32Å; Y572-L574 PolarHBondContact O-N 3.12Å; Y572-V575 PolarHBondContact O-N 3.02Å; Y572-I576 HydrophobicContact CD1-CG1 4.38Å; Y572-I576 HydrophobicContact CD2-CG1 4.18Å; Y572-I576 HydrophobicContact CE1-CG1 3.92Å; Y572-I576 HydrophobicContact CE2-CD1 4.06Å; Y572-I576 HydrophobicContact CE2-CG1 3.73Å; Y572-I576 HydrophobicContact CG-CG1 4.49Å; Y572-I576 WeakPolarHBondContact O-CG1 3.47Å; Y572-I576 PolarHBondContact O-N 3.3Å; Y572-V603 HydrophobicContact CD1-CG2 4.43Å; Y572-V603 HydrophobicContact CE1-CG2 3.94Å |
| 573 | K | 84.2 | Confident | 84.9 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 176.7 | -76.1 | -174.1 | 177.4 | -175 | 0 | 111.6 | V569 V570 L571 I576 K577 | V569-K573 PolarHBondContact O-N 2.78Å; V570-K573 WeakPolarHBondContact O-CB 3.49Å; V570-K573 PolarHBondContact O-N 3.44Å; L571-K573 PolarHBondContact O-N 2.79Å; K573-I576 PolarHBondContact O-N 3.24Å; K573-K577 VanDerWaalsContact O-CB 3.25Å; K573-K577 WeakPolarHBondContact O-CB 3.43Å; K573-K577 PolarHBondContact O-N 3.47Å |
| 574 | L | 78.5 | Confident | 84.2 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 178.5 | -176.4 | 150.5 | 0 | 0 | 0 | 111.5 | V570 L571 Y572 K577 V578 T678 | V570-L574 PolarHBondContact O-N 3.43Å; L571-L574 PolarHBondContact O-N 3.37Å; Y572-L574 VanDerWaalsContact C-N 3.32Å; Y572-L574 PolarHBondContact O-N 3.12Å; L574-K577 PolarHBondContact O-N 3.39Å; L574-V578 WeakPolarHBondContact O-CG2 3.29Å; L574-V578 PolarHBondContact O-N 3.24Å; L574-T678 HydrophobicContact CD1-CG2 3.94Å; L574-T678 HydrophobicContact CG-CG2 4.05Å |
| 575 | V | 84.7 | Confident | 83.7 | Confident | 78 Ų | 78 | 63 Ų | 63 | 47% | 0.473 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 179.1 | 172.2 | 0 | 0 | 0 | 0 | 111 | L571 Y572 K577 V578 I579 | L571-V575 WeakPolarHBondContact O-CG2 3.21Å; L571-V575 PolarHBondContact O-N 2.96Å; Y572-V575 PolarHBondContact O-N 3.02Å; V575-K577 VanDerWaalsContact C-N 3.33Å; V575-K577 PolarHBondContact O-N 3.27Å; V575-V578 PolarHBondContact O-N 2.95Å; V575-I579 HydrophobicContact CG1-CD1 3.75Å; V575-I579 HydrophobicContact CG1-CG1 4.49Å; V575-I579 VanDerWaalsContact O-CG1 3.31Å; V575-I579 WeakPolarHBondContact O-CG1 3.44Å; V575-I579 PolarHBondContact O-N 3.45Å |
| 576 | I | 87.4 | Confident | 82.7 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 20% | 0.195 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 177.9 | -67.3 | -63.3 | 0 | 0 | 0 | 111.3 | Y572 K573 V578 I579 L580 A596 | Y572-I576 HydrophobicContact CD1-CG1 4.38Å; Y572-I576 HydrophobicContact CD2-CG1 4.18Å; Y572-I576 HydrophobicContact CE1-CG1 3.92Å; Y572-I576 HydrophobicContact CE2-CD1 4.06Å; Y572-I576 HydrophobicContact CE2-CG1 3.73Å; Y572-I576 HydrophobicContact CG-CG1 4.49Å; Y572-I576 WeakPolarHBondContact O-CG1 3.47Å; Y572-I576 PolarHBondContact O-N 3.3Å; K573-I576 PolarHBondContact O-N 3.24Å; I576-V578 PolarHBondContact O-N 3.2Å; I576-I579 PolarHBondContact O-N 3.21Å; I576-L580 HydrophobicContact CG2-CD1 3.56Å; I576-L580 HydrophobicContact CG2-CG 4.1Å; I576-L580 WeakPolarHBondContact O-CB 3.17Å; I576-L580 VanDerWaalsContact O-CG 3.28Å; I576-L580 WeakPolarHBondContact O-CG 3.28Å; I576-L580 PolarHBondContact O-N 2.86Å; I576-A596 HydrophobicContact CG2-CB 4.05Å |
| 577 | K | 78.7 | Confident | 82.1 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 6% | 0.057 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.2 | -171.3 | 171.1 | -177.9 | 175.2 | 0 | 110.9 | K573 L574 V575 I579 L580 Y581 A596 G679 D681 | K573-K577 VanDerWaalsContact O-CB 3.25Å; K573-K577 WeakPolarHBondContact O-CB 3.43Å; K573-K577 PolarHBondContact O-N 3.47Å; L574-K577 PolarHBondContact O-N 3.39Å; V575-K577 VanDerWaalsContact C-N 3.33Å; V575-K577 PolarHBondContact O-N 3.27Å; K577-I579 PolarHBondContact O-N 3.26Å; K577-L580 PolarHBondContact O-N 3.46Å; K577-Y581 HydrophobicContact CD-CE2 4.13Å; K577-Y581 HydrophobicContact CG-CD2 3.66Å; K577-Y581 HydrophobicContact CG-CE2 3.45Å; K577-Y581 VanDerWaalsContact CG-CE2 3.45Å; K577-Y581 WeakPolarHBondContact O-CB 3.42Å; K577-Y581 WeakPolarHBondContact O-CD2 3.3Å; K577-Y581 PolarHBondContact O-N 3.44Å; K577-A596 HydrophobicContact CB-CB 4.19Å; K577-G679 PolarHBondContact NZ-O 3.08Å; K577-G679 VanDerWaalsContact NZ-O 3.15Å; K577-D681 IonicContact NZ-OD1 2.77Å |
| 578 | V | 76.8 | Confident | 81.7 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 33% | 0.327 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | L574 V575 I576 R582 | L574-V578 WeakPolarHBondContact O-CG2 3.29Å; L574-V578 PolarHBondContact O-N 3.24Å; V575-V578 PolarHBondContact O-N 2.95Å; I576-V578 PolarHBondContact O-N 3.2Å; V578-R582 WeakPolarHBondContact O-CG 3.17Å; V578-R582 PolarHBondContact O-N 3.42Å |
| 579 | I | 83.3 | Confident | 80.9 | Confident | 98 Ų | 98 | 66 Ų | 66 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 178.4 | -68.7 | 167.7 | 0 | 0 | 0 | 110.7 | V575 I576 K577 R582 H583 | V575-I579 HydrophobicContact CG1-CD1 3.75Å; V575-I579 HydrophobicContact CG1-CG1 4.49Å; V575-I579 VanDerWaalsContact O-CG1 3.31Å; V575-I579 WeakPolarHBondContact O-CG1 3.44Å; V575-I579 PolarHBondContact O-N 3.45Å; I576-I579 PolarHBondContact O-N 3.21Å; K577-I579 PolarHBondContact O-N 3.26Å; I579-R582 PolarHBondContact O-N 3.19Å; I579-H583 PolarHBondContact O-N 2.79Å |
| 580 | L | 84.2 | Confident | 80.1 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 14% | 0.141 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.2 | -36.4 | -179.1 | -68.9 | 172.7 | 0 | 0 | 0 | 112.1 | I576 K577 R582 H583 V588 A592 I595 A596 | I576-L580 HydrophobicContact CG2-CD1 3.56Å; I576-L580 HydrophobicContact CG2-CG 4.1Å; I576-L580 WeakPolarHBondContact O-CB 3.17Å; I576-L580 VanDerWaalsContact O-CG 3.28Å; I576-L580 WeakPolarHBondContact O-CG 3.28Å; I576-L580 PolarHBondContact O-N 2.86Å; K577-L580 PolarHBondContact O-N 3.46Å; L580-R582 VanDerWaalsContact C-N 3.28Å; L580-R582 PolarHBondContact O-N 3.24Å; L580-H583 WeakPolarHBondContact O-CB 3.45Å; L580-H583 PolarHBondContact O-N 2.88Å; L580-H583 VanDerWaalsContact O-N 3.15Å; L580-V588 HydrophobicContact CD2-CG1 3.71Å; L580-A592 HydrophobicContact CB-CB 3.56Å; L580-I595 HydrophobicContact CD1-CB 3.88Å; L580-I595 HydrophobicContact CD1-CG2 3.71Å; L580-A596 HydrophobicContact CD1-CB 4.48Å |
| 581 | Y | 76 | Confident | 79.8 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.7 | -26.5 | 175.1 | -85.8 | -56.3 | 0 | 0 | 0 | 114 | L441 K577 H583 Q589 A592 D681 | L441-Y581 HydrophobicContact CD1-CE2 3.81Å; K577-Y581 HydrophobicContact CD-CE2 4.13Å; K577-Y581 HydrophobicContact CG-CD2 3.66Å; K577-Y581 HydrophobicContact CG-CE2 3.45Å; K577-Y581 VanDerWaalsContact CG-CE2 3.45Å; K577-Y581 WeakPolarHBondContact O-CB 3.42Å; K577-Y581 WeakPolarHBondContact O-CD2 3.3Å; K577-Y581 PolarHBondContact O-N 3.44Å; Y581-H583 VanDerWaalsContact C-N 3.29Å; Y581-Q589 HydrophobicContact CD1-CG 4.08Å; Y581-Q589 WeakPolarHBondContact CE1-O 3.29Å; Y581-Q589 PolarHBondContact O-NE2 3.46Å; Y581-A592 HydrophobicContact CD1-CB 4.06Å; Y581-A592 HydrophobicContact CD2-CB 4.36Å; Y581-A592 HydrophobicContact CE1-CB 3.98Å; Y581-A592 HydrophobicContact CE2-CB 4.3Å; Y581-A592 HydrophobicContact CG-CB 4.22Å; Y581-D681 PolarHBondContact OH-OD1 3.01Å |
| 582 | R | 77.9 | Confident | 79.5 | Confident | 135 Ų | 135 | 66 Ų | 66 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -4.6 | 174.6 | -74.1 | 177.9 | 169 | 174.6 | -0.9 | 113.2 | K446 V578 I579 L580 | K446-R582 HydrophobicContact CB-CG 4.36Å; V578-R582 WeakPolarHBondContact O-CG 3.17Å; V578-R582 PolarHBondContact O-N 3.42Å; I579-R582 PolarHBondContact O-N 3.19Å; L580-R582 VanDerWaalsContact C-N 3.28Å; L580-R582 PolarHBondContact O-N 3.24Å |
| 583 | H | 80.9 | Confident | 78.9 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 37% | 0.366 | 33% | 0.325 | S | S | . | . | trans | -70.9 | 138.7 | -177.3 | -164.6 | -86.4 | 0 | 0 | 0 | 111.1 | I579 L580 Y581 N585 V588 | I579-H583 PolarHBondContact O-N 2.79Å; L580-H583 WeakPolarHBondContact O-CB 3.45Å; L580-H583 PolarHBondContact O-N 2.88Å; L580-H583 VanDerWaalsContact O-N 3.15Å; Y581-H583 VanDerWaalsContact C-N 3.29Å; H583-N585 VanDerWaalsContact C-N 3.32Å; H583-N585 PolarHBondContact CE1-ND2 2.81Å; H583-N585 WeakPolarHBondContact ND1-CB 3.49Å; H583-N585 PolarHBondContact ND1-N 3.06Å; H583-N585 VanDerWaalsContact ND1-N 3.16Å; H583-N585 PolarHBondContact O-N 3.47Å; H583-V588 HydrophobicContact CB-CB 4.41Å; H583-V588 HydrophobicContact CB-CG1 3.94Å | ||
| 584 | H | 77.2 | Confident | 78.7 | Confident | 166 Ų | 166 | 64.3 Ų | 64.3 | 77% | 0.769 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -67.1 | -31.6 | -174.9 | -173.6 | -85.9 | 0 | 0 | 0 | 113.1 | P586 | H584-P586 WeakPolarHBondContact O-CD 3.28Š|
| 585 | N | 80.6 | Confident | 79.1 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | trans | -70.2 | 120.5 | -179.2 | -67.2 | -12.7 | 0 | 0 | 0 | 111.3 | H583 I587 V588 Q589 | H583-N585 VanDerWaalsContact C-N 3.32Å; H583-N585 PolarHBondContact CE1-ND2 2.81Å; H583-N585 WeakPolarHBondContact ND1-CB 3.49Å; H583-N585 PolarHBondContact ND1-N 3.06Å; H583-N585 VanDerWaalsContact ND1-N 3.16Å; H583-N585 PolarHBondContact O-N 3.47Å; N585-I587 VanDerWaalsContact C-N 3.28Å; N585-I587 PolarHBondContact O-N 3.49Å; N585-V588 HydrophobicContact CB-CB 4.17Å; N585-V588 HydrophobicContact CB-CG2 3.85Å; N585-V588 PolarHBondContact O-N 3.38Å; N585-V588 VanDerWaalsContact O-N 3.1Å; N585-Q589 PolarHBondContact O-N 3.4Å | ||
| 586 | P | 71.4 | Confident | 79.2 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.8 | -31.5 | -175.8 | 25.4 | -34.1 | 0 | 0 | 0 | 112.8 | H584 Q589 S590 | H584-P586 WeakPolarHBondContact O-CD 3.28Å; P586-Q589 PolarHBondContact O-N 2.83Å; P586-S590 WeakPolarHBondContact O-CB 3.39Å; P586-S590 PolarHBondContact O-N 3.38Å |
| 587 | I | 75.2 | Confident | 79.1 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 69% | 0.687 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 175.3 | -59.9 | 171.5 | 0 | 0 | 0 | 110.7 | N585 S590 T591 | N585-I587 VanDerWaalsContact C-N 3.28Å; N585-I587 PolarHBondContact O-N 3.49Å; I587-S590 PolarHBondContact O-N 2.86Å; I587-T591 PolarHBondContact O-N 3.5Å; I587-T591 PolarHBondContact O-OG1 3.26Å |
| 588 | V | 80.8 | Confident | 79.6 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 21% | 0.212 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68 | -39.4 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | L580 H583 N585 T591 A592 | L580-V588 HydrophobicContact CD2-CG1 3.71Å; H583-V588 HydrophobicContact CB-CB 4.41Å; H583-V588 HydrophobicContact CB-CG1 3.94Å; N585-V588 HydrophobicContact CB-CB 4.17Å; N585-V588 HydrophobicContact CB-CG2 3.85Å; N585-V588 PolarHBondContact O-N 3.38Å; N585-V588 VanDerWaalsContact O-N 3.1Å; V588-T591 PolarHBondContact O-N 3.26Å; V588-A592 WeakPolarHBondContact O-CA 3.3Å; V588-A592 WeakPolarHBondContact O-CB 3.28Å; V588-A592 PolarHBondContact O-N 3.38Å |
| 589 | Q | 73.3 | Confident | 80.3 | Confident | 32 Ų | 32 | 61.7 Ų | 61.7 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 176.6 | -171.7 | 175 | 42.5 | 0 | 0 | 111.9 | Y581 N585 P586 A592 | Y581-Q589 HydrophobicContact CD1-CG 4.08Å; Y581-Q589 WeakPolarHBondContact CE1-O 3.29Å; Y581-Q589 PolarHBondContact O-NE2 3.46Å; N585-Q589 PolarHBondContact O-N 3.4Å; P586-Q589 PolarHBondContact O-N 2.83Å; Q589-A592 WeakPolarHBondContact O-CB 3.34Å |
| 590 | S | 71.5 | Confident | 80.6 | Confident | 76 Ų | 76 | 57 Ų | 57 | 53% | 0.531 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 112.9 | P586 I587 | P586-S590 WeakPolarHBondContact O-CB 3.39Å; P586-S590 PolarHBondContact O-N 3.38Å; I587-S590 PolarHBondContact O-N 2.86Å |
| 591 | T | 77.6 | Confident | 80.8 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -96.7 | 5.2 | -179.5 | 56.5 | 0 | 0 | 0 | 0 | 114 | I587 V588 G593 M594 I595 | I587-T591 PolarHBondContact O-N 3.5Å; I587-T591 PolarHBondContact O-OG1 3.26Å; V588-T591 PolarHBondContact O-N 3.26Å; T591-G593 PolarHBondContact O-N 3.39Å; T591-M594 PolarHBondContact O-N 3.23Å; T591-M594 VanDerWaalsContact O-N 3.1Å; T591-I595 WeakPolarHBondContact O-CG1 3.31Å; T591-I595 PolarHBondContact O-N 2.98Å |
| 592 | A | 80 | Confident | 81.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.4 | -46.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L580 Y581 V588 Q589 M594 I595 A596 | L580-A592 HydrophobicContact CB-CB 3.56Å; Y581-A592 HydrophobicContact CD1-CB 4.06Å; Y581-A592 HydrophobicContact CD2-CB 4.36Å; Y581-A592 HydrophobicContact CE1-CB 3.98Å; Y581-A592 HydrophobicContact CE2-CB 4.3Å; Y581-A592 HydrophobicContact CG-CB 4.22Å; V588-A592 WeakPolarHBondContact O-CA 3.3Å; V588-A592 WeakPolarHBondContact O-CB 3.28Å; V588-A592 PolarHBondContact O-N 3.38Å; Q589-A592 WeakPolarHBondContact O-CB 3.34Å; A592-M594 PolarHBondContact O-N 2.9Å; A592-I595 PolarHBondContact O-N 3.32Å; A592-A596 WeakPolarHBondContact O-CB 3.47Å; A592-A596 PolarHBondContact O-N 2.84Å |
| 593 | G | 76.3 | Confident | 82.1 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T591 T597 | T591-G593 PolarHBondContact O-N 3.39Å; G593-T597 PolarHBondContact O-N 3.27Å; G593-T597 VanDerWaalsContact O-N 3.07Å; G593-T597 PolarHBondContact O-OG1 2.89Å; G593-T597 VanDerWaalsContact O-OG1 3.05Å |
| 594 | M | 80.8 | Confident | 82.6 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 178.8 | -166.4 | -175.5 | -60.3 | 0 | 0 | 111.4 | T591 A592 T597 M598 F687 I691 | T591-M594 PolarHBondContact O-N 3.23Å; T591-M594 VanDerWaalsContact O-N 3.1Å; A592-M594 PolarHBondContact O-N 2.9Å; M594-T597 PolarHBondContact O-N 3.44Å; M594-M598 VanDerWaalsContact O-CG 3.26Å; M594-M598 WeakPolarHBondContact O-CG 3.29Å; M594-M598 PolarHBondContact O-N 2.89Å; M594-F687 HydrophobicContact CE-CE1 3.98Å; M594-F687 HydrophobicContact CE-CZ 3.91Å; M594-F687 HydrophobicContact CG-CE1 4.36Å; M594-I691 HydrophobicContact CG-CD1 3.92Å |
| 595 | I | 86.9 | Confident | 83.1 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 178.3 | -63.6 | 169.4 | 0 | 0 | 0 | 110.9 | L580 T591 A592 T597 M598 T599 | L580-I595 HydrophobicContact CD1-CB 3.88Å; L580-I595 HydrophobicContact CD1-CG2 3.71Å; T591-I595 WeakPolarHBondContact O-CG1 3.31Å; T591-I595 PolarHBondContact O-N 2.98Å; A592-I595 PolarHBondContact O-N 3.32Å; I595-T597 VanDerWaalsContact C-N 3.32Å; I595-T597 PolarHBondContact O-N 3.48Å; I595-M598 PolarHBondContact O-N 3.27Å; I595-T599 HydrophobicContact CG2-CG2 4.29Å; I595-T599 WeakPolarHBondContact O-CB 3.28Å; I595-T599 WeakPolarHBondContact O-CG2 3.43Å; I595-T599 PolarHBondContact O-N 3.46Å; I595-T599 PolarHBondContact O-OG1 3Å |
| 596 | A | 85.7 | Confident | 83.4 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I576 K577 L580 A592 T599 G600 | I576-A596 HydrophobicContact CG2-CB 4.05Å; K577-A596 HydrophobicContact CB-CB 4.19Å; L580-A596 HydrophobicContact CD1-CB 4.48Å; A592-A596 WeakPolarHBondContact O-CB 3.47Å; A592-A596 PolarHBondContact O-N 2.84Å; A596-T599 PolarHBondContact O-OG1 3.09Å; A596-G600 PolarHBondContact O-N 3.29Å |
| 597 | T | 86.9 | Confident | 84.3 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.4 | -46.8 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | G593 M594 I595 T599 G600 S601 E688 I691 | G593-T597 PolarHBondContact O-N 3.27Å; G593-T597 VanDerWaalsContact O-N 3.07Å; G593-T597 PolarHBondContact O-OG1 2.89Å; G593-T597 VanDerWaalsContact O-OG1 3.05Å; M594-T597 PolarHBondContact O-N 3.44Å; I595-T597 VanDerWaalsContact C-N 3.32Å; I595-T597 PolarHBondContact O-N 3.48Å; T597-T599 PolarHBondContact O-N 3.39Å; T597-G600 PolarHBondContact O-N 3.17Å; T597-S601 WeakPolarHBondContact O-CB 3.45Å; T597-S601 PolarHBondContact O-N 3Å; T597-S601 PolarHBondContact O-OG 3.46Å; T597-E688 HydrophobicContact CG2-CB 4.19Å; T597-E688 HydrophobicContact CG2-CG 4.45Å; T597-I691 HydrophobicContact CG2-CB 4.32Å; T597-I691 HydrophobicContact CG2-CG2 3.43Å; T597-I691 VanDerWaalsContact CG2-CG2 3.43Å |
| 598 | M | 88.2 | Confident | 84.9 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 34% | 0.335 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -53.3 | -53.8 | 175.7 | -71.6 | -74.3 | 113.6 | 0 | 0 | 111.9 | M594 I595 S601 L602 I691 I695 | M594-M598 VanDerWaalsContact O-CG 3.26Å; M594-M598 WeakPolarHBondContact O-CG 3.29Å; M594-M598 PolarHBondContact O-N 2.89Å; I595-M598 PolarHBondContact O-N 3.27Å; M598-S601 PolarHBondContact O-N 2.96Å; M598-L602 WeakPolarHBondContact O-CG 3.45Å; M598-L602 PolarHBondContact O-N 2.9Å; M598-L602 VanDerWaalsContact O-N 3.1Å; M598-I691 HydrophobicContact CE-CB 3.81Å; M598-I691 HydrophobicContact CE-CD1 3.64Å; M598-I691 HydrophobicContact CE-CG1 3.53Å; M598-I691 HydrophobicContact CE-CG2 3.07Å; M598-I695 HydrophobicContact CE-CD1 3.65Å; M598-I695 HydrophobicContact CE-CG1 4.46Å; M598-I695 HydrophobicContact SD-CD1 3.74Å |
| 599 | T | 91.5 | Very high | 85.1 | Confident | 40 Ų | 40 | 36.2 Ų | 36.2 | 25% | 0.245 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -42.2 | -177.2 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | I595 A596 T597 S601 L602 V603 | I595-T599 HydrophobicContact CG2-CG2 4.29Å; I595-T599 WeakPolarHBondContact O-CB 3.28Å; I595-T599 WeakPolarHBondContact O-CG2 3.43Å; I595-T599 PolarHBondContact O-N 3.46Å; I595-T599 PolarHBondContact O-OG1 3Å; A596-T599 PolarHBondContact O-OG1 3.09Å; T597-T599 PolarHBondContact O-N 3.39Å; T599-S601 VanDerWaalsContact C-N 3.34Å; T599-S601 PolarHBondContact O-N 2.79Å; T599-L602 PolarHBondContact O-N 3.26Å; T599-V603 WeakPolarHBondContact O-CG2 3.33Å; T599-V603 PolarHBondContact O-N 2.9Å |
| 600 | G | 89.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A596 T597 V603 N604 | A596-G600 PolarHBondContact O-N 3.29Å; T597-G600 PolarHBondContact O-N 3.17Å; G600-V603 PolarHBondContact O-N 2.78Å; G600-N604 WeakPolarHBondContact O-CB 3.4Å; G600-N604 PolarHBondContact O-N 3.32Å |
| 601 | S | 89 | Confident | 86.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67 | -35.8 | 175.1 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | T597 M598 T599 N604 L605 Q692 | T597-S601 WeakPolarHBondContact O-CB 3.45Å; T597-S601 PolarHBondContact O-N 3Å; T597-S601 PolarHBondContact O-OG 3.46Å; M598-S601 PolarHBondContact O-N 2.96Å; T599-S601 VanDerWaalsContact C-N 3.34Å; T599-S601 PolarHBondContact O-N 2.79Å; S601-N604 PolarHBondContact O-N 3.08Å; S601-L605 WeakPolarHBondContact O-CB 3.35Å; S601-L605 PolarHBondContact O-N 3.1Å; S601-Q692 PolarHBondContact OG-OE1 2.93Å |
| 602 | L | 89.6 | Confident | 87.2 | Confident | 98 Ų | 98 | 37.6 Ų | 37.6 | 51% | 0.513 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.2 | -43.9 | 173.4 | -71.7 | 171.7 | 0 | 0 | 0 | 112.3 | M598 T599 N604 L605 V606 I695 | M598-L602 WeakPolarHBondContact O-CG 3.45Å; M598-L602 PolarHBondContact O-N 2.9Å; M598-L602 VanDerWaalsContact O-N 3.1Å; T599-L602 PolarHBondContact O-N 3.26Å; L602-N604 VanDerWaalsContact C-N 3.3Å; L602-N604 PolarHBondContact O-N 3.47Å; L602-L605 WeakPolarHBondContact O-CB 3.47Å; L602-L605 PolarHBondContact O-N 3.11Å; L602-V606 WeakPolarHBondContact O-CG2 3.36Å; L602-V606 PolarHBondContact O-N 3.35Å; L602-I695 HydrophobicContact CD2-CG2 4.2Å |
| 603 | V | 91.6 | Very high | 87.5 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.3 | -42 | 175.2 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | V569 Y572 T599 G600 L605 V606 T607 | V569-V603 HydrophobicContact CG2-CG1 4.4Å; Y572-V603 HydrophobicContact CD1-CG2 4.43Å; Y572-V603 HydrophobicContact CE1-CG2 3.94Å; T599-V603 WeakPolarHBondContact O-CG2 3.33Å; T599-V603 PolarHBondContact O-N 2.9Å; G600-V603 PolarHBondContact O-N 2.78Å; V603-L605 PolarHBondContact O-N 3.43Å; V603-V606 PolarHBondContact O-N 3.37Å; V603-T607 WeakPolarHBondContact O-CB 3.36Å; V603-T607 PolarHBondContact O-N 3.29Å; V603-T607 PolarHBondContact O-OG1 3.44Å |
| 604 | N | 90.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 173.7 | -166.8 | 54.6 | 0 | 0 | 0 | 112 | V569 G600 S601 L602 V606 T607 I608 S653 | V569-N604 HydrophobicContact CG1-CB 4.09Å; V569-N604 HydrophobicContact CG2-CB 4.49Å; G600-N604 WeakPolarHBondContact O-CB 3.4Å; G600-N604 PolarHBondContact O-N 3.32Å; S601-N604 PolarHBondContact O-N 3.08Å; L602-N604 VanDerWaalsContact C-N 3.3Å; L602-N604 PolarHBondContact O-N 3.47Å; N604-V606 PolarHBondContact O-N 2.93Å; N604-T607 WeakPolarHBondContact O-CB 3.27Å; N604-T607 PolarHBondContact O-N 2.86Å; N604-I608 VanDerWaalsContact O-CG1 3.29Å; N604-I608 WeakPolarHBondContact O-CG1 3.45Å; N604-I608 PolarHBondContact O-N 3.28Å; N604-S653 WeakPolarHBondContact ND2-CB 3.26Å; N604-S653 PolarHBondContact ND2-OG 2.95Å; N604-S653 VanDerWaalsContact ND2-OG 3.08Å |
| 605 | L | 88 | Confident | 88.7 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 177.6 | -175.7 | 64 | 0 | 0 | 0 | 111.9 | S601 L602 V603 T607 I608 F609 | S601-L605 WeakPolarHBondContact O-CB 3.35Å; S601-L605 PolarHBondContact O-N 3.1Å; L602-L605 WeakPolarHBondContact O-CB 3.47Å; L602-L605 PolarHBondContact O-N 3.11Å; V603-L605 PolarHBondContact O-N 3.43Å; L605-T607 VanDerWaalsContact C-N 3.32Å; L605-T607 PolarHBondContact O-N 2.94Å; L605-I608 WeakPolarHBondContact O-CB 3.18Å; L605-I608 PolarHBondContact O-N 3.4Å; L605-F609 HydrophobicContact CD1-CD2 4.45Å; L605-F609 HydrophobicContact CD1-CE2 3.85Å; L605-F609 HydrophobicContact CG-CD2 4.37Å; L605-F609 HydrophobicContact CG-CE2 3.98Å; L605-F609 WeakPolarHBondContact O-CD2 3.47Å; L605-F609 PolarHBondContact O-N 3.19Å |
| 606 | V | 88.2 | Confident | 88.7 | Confident | 102 Ų | 102 | 41 Ų | 41 | 62% | 0.618 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.1 | -41.3 | 175.7 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | L602 V603 N604 I608 F609 F610 | L602-V606 WeakPolarHBondContact O-CG2 3.36Å; L602-V606 PolarHBondContact O-N 3.35Å; V603-V606 PolarHBondContact O-N 3.37Å; N604-V606 PolarHBondContact O-N 2.93Å; V606-I608 VanDerWaalsContact C-N 3.32Å; V606-I608 PolarHBondContact O-N 3.45Å; V606-F609 PolarHBondContact O-N 2.98Å; V606-F610 PolarHBondContact O-N 3.03Å; V606-F610 VanDerWaalsContact O-N 3.12Å |
| 607 | T | 88.8 | Confident | 88.9 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | F565 V603 N604 L605 F609 F610 L611 | F565-T607 HydrophobicContact CB-CG2 4.2Å; F565-T607 HydrophobicContact CD1-CG2 4.14Å; F565-T607 HydrophobicContact CG-CG2 4.31Å; V603-T607 WeakPolarHBondContact O-CB 3.36Å; V603-T607 PolarHBondContact O-N 3.29Å; V603-T607 PolarHBondContact O-OG1 3.44Å; N604-T607 WeakPolarHBondContact O-CB 3.27Å; N604-T607 PolarHBondContact O-N 2.86Å; L605-T607 VanDerWaalsContact C-N 3.32Å; L605-T607 PolarHBondContact O-N 2.94Å; T607-F609 VanDerWaalsContact C-N 3.35Å; T607-F609 PolarHBondContact O-N 3.31Å; T607-F610 PolarHBondContact O-N 3.48Å; T607-L611 HydrophobicContact CG2-CD1 3.79Å; T607-L611 HydrophobicContact CG2-CG 4.25Å; T607-L611 WeakPolarHBondContact O-CB 3.43Å; T607-L611 WeakPolarHBondContact O-CG 3.3Å; T607-L611 PolarHBondContact O-N 3.25Å |
| 608 | I | 88.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 176.2 | -73 | 164.5 | 0 | 0 | 0 | 111.4 | N604 L605 V606 L611 K612 N649 Y650 | N604-I608 VanDerWaalsContact O-CG1 3.29Å; N604-I608 WeakPolarHBondContact O-CG1 3.45Å; N604-I608 PolarHBondContact O-N 3.28Å; L605-I608 WeakPolarHBondContact O-CB 3.18Å; L605-I608 PolarHBondContact O-N 3.4Å; V606-I608 VanDerWaalsContact C-N 3.32Å; V606-I608 PolarHBondContact O-N 3.45Å; I608-L611 PolarHBondContact O-N 3.41Å; I608-K612 PolarHBondContact O-N 2.87Å; I608-N649 WeakPolarHBondContact CA-ND2 3.11Å; I608-N649 PolarHBondContact O-ND2 3.48Å; I608-Y650 HydrophobicContact CD1-CD1 4.04Å; I608-Y650 HydrophobicContact CD1-CE1 4.35Å; I608-Y650 HydrophobicContact CG2-CD1 4.02Å; I608-Y650 HydrophobicContact CG2-CE1 3.48Å; I608-Y650 VanDerWaalsContact CG2-CE1 3.48Å; I608-Y650 HydrophobicContact CG2-CE2 4.15Å |
| 609 | F | 84.3 | Confident | 89.3 | Confident | 45 Ų | 45 | 48 Ų | 48 | 20% | 0.197 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 178 | -79.3 | -72.2 | 0 | 0 | 0 | 112.7 | L605 V606 T607 K612 F703 | L605-F609 HydrophobicContact CD1-CD2 4.45Å; L605-F609 HydrophobicContact CD1-CE2 3.85Å; L605-F609 HydrophobicContact CG-CD2 4.37Å; L605-F609 HydrophobicContact CG-CE2 3.98Å; L605-F609 WeakPolarHBondContact O-CD2 3.47Å; L605-F609 PolarHBondContact O-N 3.19Å; V606-F609 PolarHBondContact O-N 2.98Å; T607-F609 VanDerWaalsContact C-N 3.35Å; T607-F609 PolarHBondContact O-N 3.31Å; F609-K612 WeakPolarHBondContact O-CB 3.22Å; F609-K612 PolarHBondContact O-N 2.87Å; F609-F703 HydrophobicContact CD1-CD1 4.18Å; F609-F703 AromaticContact CD1-CE1 3.92Å; F609-F703 HydrophobicContact CD1-CE1 3.92Å; F609-F703 AromaticContact CE1-CD1 3.26Å; F609-F703 HydrophobicContact CE1-CD1 3.26Å; F609-F703 AromaticContact CE1-CE1 3.43Å; F609-F703 HydrophobicContact CE1-CE1 3.43Å; F609-F703 VanDerWaalsContact CE1-CE1 3.43Å; F609-F703 HydrophobicContact CE1-CG 4.13Å; F609-F703 HydrophobicContact CE1-CZ 4.42Å; F609-F703 HydrophobicContact CE2-CB 4.38Å; F609-F703 AromaticContact CE2-CD1 4Å; F609-F703 HydrophobicContact CE2-CD1 4Å; F609-F703 HydrophobicContact CE2-CE1 4.43Å; F609-F703 HydrophobicContact CE2-CG 4.06Å; F609-F703 HydrophobicContact CZ-CB 3.86Å; F609-F703 AromaticContact CZ-CD1 3.16Å; F609-F703 HydrophobicContact CZ-CD1 3.16Å; F609-F703 HydrophobicContact CZ-CD2 4.44Å; F609-F703 AromaticContact CZ-CE1 3.75Å; F609-F703 HydrophobicContact CZ-CE1 3.75Å; F609-F703 AromaticContact CZ-CG 3.56Å; F609-F703 HydrophobicContact CZ-CG 3.56Å |
| 610 | F | 88.7 | Confident | 89.2 | Confident | 126 Ų | 126 | 48.4 Ų | 48.4 | 55% | 0.553 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.1 | -47.5 | 177.1 | 177.5 | -98.9 | 0 | 0 | 0 | 111.6 | V606 T607 K612 L613 V614 | V606-F610 PolarHBondContact O-N 3.03Å; V606-F610 VanDerWaalsContact O-N 3.12Å; T607-F610 PolarHBondContact O-N 3.48Å; F610-K612 VanDerWaalsContact C-N 3.31Å; F610-K612 PolarHBondContact O-N 2.77Å; F610-L613 WeakPolarHBondContact O-CB 3.43Å; F610-L613 PolarHBondContact O-N 2.74Å; F610-V614 HydrophobicContact CE1-CG2 4.23Å; F610-V614 HydrophobicContact CZ-CG2 4.46Å; F610-V614 PolarHBondContact O-N 3.47Å |
| 611 | L | 90.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -34 | 179.4 | -72.7 | 175.3 | 0 | 0 | 0 | 112.6 | F565 T607 I608 L613 V614 Y615 N649 | F565-L611 HydrophobicContact CB-CD1 4.43Å; F565-L611 HydrophobicContact CD2-CD1 4.26Å; F565-L611 HydrophobicContact CD2-CD2 3.95Å; F565-L611 HydrophobicContact CE2-CD2 3.87Å; F565-L611 HydrophobicContact CG-CD1 4.41Å; T607-L611 HydrophobicContact CG2-CD1 3.79Å; T607-L611 HydrophobicContact CG2-CG 4.25Å; T607-L611 WeakPolarHBondContact O-CB 3.43Å; T607-L611 WeakPolarHBondContact O-CG 3.3Å; T607-L611 PolarHBondContact O-N 3.25Å; I608-L611 PolarHBondContact O-N 3.41Å; L611-L613 VanDerWaalsContact C-N 3.31Å; L611-L613 PolarHBondContact O-N 2.93Å; L611-V614 PolarHBondContact O-N 3.32Å; L611-V614 VanDerWaalsContact O-N 3.12Å; L611-Y615 HydrophobicContact CB-CD2 4.46Å; L611-Y615 HydrophobicContact CB-CE2 3.72Å; L611-Y615 WeakPolarHBondContact CD1-OH 3.25Å; L611-Y615 WeakPolarHBondContact CD2-OH 3.34Å; L611-Y615 VanDerWaalsContact O-CD2 3.32Å; L611-Y615 WeakPolarHBondContact O-CD2 3.43Å; L611-Y615 VanDerWaalsContact O-CG 3.23Å; L611-Y615 PolarHBondContact O-N 2.88Å; L611-N649 WeakPolarHBondContact CD1-OD1 3.44Å |
| 612 | K | 88.2 | Confident | 89.4 | Confident | 56 Ų | 56 | 56 Ų | 56 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.5 | -46.1 | 173.5 | -174.4 | -176.3 | 176.1 | -179.5 | 0 | 111.8 | I608 F609 F610 V614 Y615 D616 | I608-K612 PolarHBondContact O-N 2.87Å; F609-K612 WeakPolarHBondContact O-CB 3.22Å; F609-K612 PolarHBondContact O-N 2.87Å; F610-K612 VanDerWaalsContact C-N 3.31Å; F610-K612 PolarHBondContact O-N 2.77Å; K612-V614 VanDerWaalsContact C-N 3.27Å; K612-V614 PolarHBondContact O-N 2.66Å; K612-Y615 PolarHBondContact O-N 3.29Å; K612-D616 PolarHBondContact O-N 3.49Å |
| 613 | L | 86.8 | Confident | 89.5 | Confident | 102 Ų | 102 | 51.3 Ų | 51.3 | 53% | 0.534 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 179.4 | -63.5 | 176.2 | 0 | 0 | 0 | 112.5 | F610 L611 | F610-L613 WeakPolarHBondContact O-CB 3.43Å; F610-L613 PolarHBondContact O-N 2.74Å; L611-L613 VanDerWaalsContact C-N 3.31Å; L611-L613 PolarHBondContact O-N 2.93Å |
| 614 | V | 89.9 | Confident | 89.4 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.3 | -45.5 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | F610 L611 K612 D616 R617 M618 | F610-V614 HydrophobicContact CE1-CG2 4.23Å; F610-V614 HydrophobicContact CZ-CG2 4.46Å; F610-V614 PolarHBondContact O-N 3.47Å; L611-V614 PolarHBondContact O-N 3.32Å; L611-V614 VanDerWaalsContact O-N 3.12Å; K612-V614 VanDerWaalsContact C-N 3.27Å; K612-V614 PolarHBondContact O-N 2.66Å; V614-D616 PolarHBondContact O-N 3.22Å; V614-R617 PolarHBondContact O-N 3.35Å; V614-M618 WeakPolarHBondContact O-CB 3.13Å; V614-M618 PolarHBondContact O-N 3.4Å |
| 615 | Y | 91.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | -179.2 | -60.4 | -26.5 | 0 | 0 | 0 | 113.1 | T562 L611 K612 R617 M618 A619 L645 N649 | T562-Y615 HydrophobicContact CG2-CE1 4.29Å; T562-Y615 HydrophobicContact CG2-CE2 4.33Å; T562-Y615 WeakPolarHBondContact CG2-OH 3.32Å; L611-Y615 HydrophobicContact CB-CD2 4.46Å; L611-Y615 HydrophobicContact CB-CE2 3.72Å; L611-Y615 WeakPolarHBondContact CD1-OH 3.25Å; L611-Y615 WeakPolarHBondContact CD2-OH 3.34Å; L611-Y615 VanDerWaalsContact O-CD2 3.32Å; L611-Y615 WeakPolarHBondContact O-CD2 3.43Å; L611-Y615 VanDerWaalsContact O-CG 3.23Å; L611-Y615 PolarHBondContact O-N 2.88Å; K612-Y615 PolarHBondContact O-N 3.29Å; Y615-R617 VanDerWaalsContact C-N 3.34Å; Y615-R617 PolarHBondContact O-N 3.01Å; Y615-M618 PolarHBondContact O-N 2.98Å; Y615-A619 WeakPolarHBondContact O-CB 3.43Å; Y615-A619 PolarHBondContact O-N 3.37Å; Y615-L645 HydrophobicContact CD1-CB 4.48Å; Y615-L645 HydrophobicContact CD1-CD1 4.23Å; Y615-L645 HydrophobicContact CD2-CB 3.92Å; Y615-L645 HydrophobicContact CE2-CB 4.37Å; Y615-L645 HydrophobicContact CG-CB 4.03Å; Y615-L645 HydrophobicContact CG-CD1 4.17Å; Y615-N649 HydrophobicContact CE2-CB 4.08Å |
| 616 | D | 88.4 | Confident | 89.3 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 178 | -73.9 | -19.1 | 0 | 0 | 0 | 111 | K612 V614 T620 L642 | K612-D616 PolarHBondContact O-N 3.49Å; V614-D616 PolarHBondContact O-N 3.22Å; D616-T620 WeakPolarHBondContact O-CG2 3.31Å; D616-T620 PolarHBondContact O-N 2.89Å; D616-T620 PolarHBondContact O-OG1 3.07Å; D616-L642 WeakPolarHBondContact OD1-CD2 3.46Å |
| 617 | R | 89.9 | Confident | 89.2 | Confident | 187 Ų | 187 | 52.3 Ų | 52.3 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -68.2 | -40.6 | 178 | -69.6 | -176.2 | 179.6 | 133.2 | -2.7 | 113.2 | V614 Y615 T620 K621 | V614-R617 PolarHBondContact O-N 3.35Å; Y615-R617 VanDerWaalsContact C-N 3.34Å; Y615-R617 PolarHBondContact O-N 3.01Å; R617-T620 PolarHBondContact O-OG1 3.31Å; R617-K621 WeakPolarHBondContact O-CB 3.35Å; R617-K621 PolarHBondContact O-N 3.09Å |
| 618 | M | 90.8 | Very high | 89.2 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.4 | -48.3 | -179.2 | -178 | -164.8 | 69.5 | 0 | 0 | 110.7 | T558 V614 Y615 T620 K621 L622 L645 | T558-M618 HydrophobicContact CG2-CE 3.71Å; T558-M618 HydrophobicContact CG2-SD 3.18Å; T558-M618 WeakPolarHBondContact CG2-SD 3.04Å; T558-M618 WeakPolarHBondContact OG1-CE 3.08Å; V614-M618 WeakPolarHBondContact O-CB 3.13Å; V614-M618 PolarHBondContact O-N 3.4Å; Y615-M618 PolarHBondContact O-N 2.98Å; M618-T620 VanDerWaalsContact C-N 3.34Å; M618-T620 PolarHBondContact O-N 3.28Å; M618-K621 PolarHBondContact O-N 2.86Å; M618-L622 HydrophobicContact CE-CD1 3.95Å; M618-L622 HydrophobicContact CG-CD1 3.77Å; M618-L622 HydrophobicContact CG-CG 4.08Å; M618-L622 WeakPolarHBondContact O-CB 3.35Å; M618-L622 WeakPolarHBondContact O-CG 3.17Å; M618-L622 PolarHBondContact O-N 3.46Å; M618-L622 HydrophobicContact SD-CD1 4.01Å; M618-L645 HydrophobicContact CE-CD1 3.43Å; M618-L645 VanDerWaalsContact CE-CD1 3.43Å; M618-L645 HydrophobicContact CE-CD2 4.37Å |
| 619 | A | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -37.6 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y615 T623 L638 K641 L642 | Y615-A619 WeakPolarHBondContact O-CB 3.43Å; Y615-A619 PolarHBondContact O-N 3.37Å; A619-T623 WeakPolarHBondContact O-CB 3.36Å; A619-T623 PolarHBondContact O-N 2.93Å; A619-T623 PolarHBondContact O-OG1 3.41Å; A619-L638 VanDerWaalsContact C-CD1 3.48Å; A619-L638 HydrophobicContact CB-CD1 3.7Å; A619-L638 WeakPolarHBondContact O-CD1 3.43Å; A619-K641 HydrophobicContact CB-CB 4.42Å; A619-L642 HydrophobicContact CB-CD2 3.44Å; A619-L642 VanDerWaalsContact CB-CD2 3.44Å; A619-L642 HydrophobicContact CB-CG 3.74Å |
| 620 | T | 89.5 | Confident | 89 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 172.7 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | D616 R617 M618 L622 T623 D624 L638 | D616-T620 WeakPolarHBondContact O-CG2 3.31Å; D616-T620 PolarHBondContact O-N 2.89Å; D616-T620 PolarHBondContact O-OG1 3.07Å; R617-T620 PolarHBondContact O-OG1 3.31Å; M618-T620 VanDerWaalsContact C-N 3.34Å; M618-T620 PolarHBondContact O-N 3.28Å; T620-L622 PolarHBondContact O-N 2.91Å; T620-T623 PolarHBondContact O-N 3.11Å; T620-T623 VanDerWaalsContact O-N 3.15Å; T620-D624 PolarHBondContact O-N 2.67Å; T620-D624 VanDerWaalsContact O-OD2 3.13Å; T620-L638 HydrophobicContact CG2-CD1 4.27Å; T620-L638 HydrophobicContact CG2-CD2 4.16Å |
| 621 | K | 90.8 | Very high | 88.8 | Confident | 145 Ų | 145 | 51.3 Ų | 51.3 | 63% | 0.63 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.7 | -42.7 | 179.9 | -170.3 | 174.3 | -176.5 | 176.5 | 0 | 112.5 | R617 M618 D624 I625 | R617-K621 WeakPolarHBondContact O-CB 3.35Å; R617-K621 PolarHBondContact O-N 3.09Å; M618-K621 PolarHBondContact O-N 2.86Å; K621-D624 PolarHBondContact O-N 2.87Å; K621-I625 HydrophobicContact CG-CD1 4.26Å; K621-I625 WeakPolarHBondContact O-CD1 3.05Å; K621-I625 VanDerWaalsContact O-CG1 3.24Å; K621-I625 WeakPolarHBondContact O-CG1 3.26Å; K621-I625 PolarHBondContact O-N 3.05Å; K621-I625 VanDerWaalsContact O-N 3.08Å |
| 622 | L | 92.1 | Very high | 88.6 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 176.5 | -71 | 176.5 | 0 | 0 | 0 | 111.8 | T554 V555 M618 T620 D624 I625 E626 | T554-L622 HydrophobicContact CG2-CD2 4.17Å; T554-L622 WeakPolarHBondContact OG1-CD1 3.38Å; T554-L622 WeakPolarHBondContact OG1-CD2 3.5Å; V555-L622 HydrophobicContact CG2-CD1 4.09Å; M618-L622 HydrophobicContact CE-CD1 3.95Å; M618-L622 HydrophobicContact CG-CD1 3.77Å; M618-L622 HydrophobicContact CG-CG 4.08Å; M618-L622 WeakPolarHBondContact O-CB 3.35Å; M618-L622 WeakPolarHBondContact O-CG 3.17Å; M618-L622 PolarHBondContact O-N 3.46Å; M618-L622 HydrophobicContact SD-CD1 4.01Å; T620-L622 PolarHBondContact O-N 2.91Å; L622-D624 VanDerWaalsContact C-N 3.35Å; L622-I625 PolarHBondContact O-N 3.35Å; L622-E626 WeakPolarHBondContact O-CG 3.26Å; L622-E626 PolarHBondContact O-N 3.37Å; L622-E626 VanDerWaalsContact O-N 3.11Å |
| 623 | T | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.7 | -32.5 | -179.9 | -47.7 | 0 | 0 | 0 | 0 | 111.5 | A619 T620 I625 E626 Y634 L638 | A619-T623 WeakPolarHBondContact O-CB 3.36Å; A619-T623 PolarHBondContact O-N 2.93Å; A619-T623 PolarHBondContact O-OG1 3.41Å; T620-T623 PolarHBondContact O-N 3.11Å; T620-T623 VanDerWaalsContact O-N 3.15Å; T623-I625 VanDerWaalsContact C-N 3.34Å; T623-E626 WeakPolarHBondContact O-CB 3.31Å; T623-E626 PolarHBondContact O-N 3.39Å; T623-Y634 HydrophobicContact CG2-CD2 3.42Å; T623-Y634 VanDerWaalsContact CG2-CD2 3.42Å; T623-Y634 HydrophobicContact CG2-CE2 3.44Å; T623-Y634 VanDerWaalsContact CG2-CE2 3.44Å; T623-Y634 HydrophobicContact CG2-CG 4.07Å; T623-L638 HydrophobicContact CG2-CB 4.12Å |
| 624 | D | 88.1 | Confident | 88.9 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 32% | 0.316 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 171.7 | -63.7 | -28.5 | 0 | 0 | 0 | 110.9 | R512 T620 K621 L622 E626 H627 Y634 | R512-D624 IonicContact NH1-OD1 3.71Å; R512-D624 PolarHBondContact NH1-OD1 3Å; R512-D624 IonicContact NH2-OD1 3.87Å; T620-D624 PolarHBondContact O-N 2.67Å; T620-D624 VanDerWaalsContact O-OD2 3.13Å; K621-D624 PolarHBondContact O-N 2.87Å; L622-D624 VanDerWaalsContact C-N 3.35Å; D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 3.36Å; D624-H627 PolarHBondContact O-N 3.44Å; D624-Y634 WeakPolarHBondContact OD1-CE2 3.28Å; D624-Y634 VanDerWaalsContact OD1-CZ 3.23Å; D624-Y634 PolarHBondContact OD1-OH 3.35Å |
| 625 | I | 88.2 | Confident | 88.9 | Confident | 70 Ų | 70 | 50.3 Ų | 50.3 | 36% | 0.359 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.8 | -27.2 | 175.1 | -67.2 | 163.4 | 0 | 0 | 0 | 112.3 | I547 K621 L622 T623 H627 | I547-I625 HydrophobicContact CG2-CG2 4.11Å; I547-I625 VanDerWaalsContact CG2-O 3.25Å; I547-I625 WeakPolarHBondContact CG2-O 3.38Å; K621-I625 HydrophobicContact CG-CD1 4.26Å; K621-I625 WeakPolarHBondContact O-CD1 3.05Å; K621-I625 VanDerWaalsContact O-CG1 3.24Å; K621-I625 WeakPolarHBondContact O-CG1 3.26Å; K621-I625 PolarHBondContact O-N 3.05Å; K621-I625 VanDerWaalsContact O-N 3.08Å; L622-I625 PolarHBondContact O-N 3.35Å; T623-I625 VanDerWaalsContact C-N 3.34Å; I625-H627 PolarHBondContact O-CE1 3.47Å; I625-H627 VanDerWaalsContact O-CE1 3.25Å; I625-H627 PolarHBondContact O-N 2.88Å; I625-H627 PolarHBondContact O-ND1 3.34Å |
| 626 | E | 89.3 | Confident | 88.9 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -15.5 | 177 | -74.9 | 174.9 | 177 | 0 | 0 | 114 | I547 S551 L622 T623 D624 H628 S637 K641 | I547-E626 HydrophobicContact CG2-CG 4.33Å; S551-E626 WeakPolarHBondContact CB-OE1 3.22Å; S551-E626 PolarHBondContact OG-OE1 3.13Å; L622-E626 WeakPolarHBondContact O-CG 3.26Å; L622-E626 PolarHBondContact O-N 3.37Å; L622-E626 VanDerWaalsContact O-N 3.11Å; T623-E626 WeakPolarHBondContact O-CB 3.31Å; T623-E626 PolarHBondContact O-N 3.39Å; D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 3.36Å; E626-H628 WeakPolarHBondContact CB-NE2 3.27Å; E626-H628 PolarHBondContact O-N 3.44Å; E626-H628 IonicContact OE2-CD2 3.78Å; E626-H628 IonicContact OE2-CE1 3.59Å; E626-H628 IonicContact OE2-NE2 3.79Å; E626-H628 PolarHBondContact OE2-NE2 3.46Å; E626-S637 PolarHBondContact OE2-OG 2.93Å; E626-K641 WeakPolarHBondContact OE1-CE 3.38Å; E626-K641 IonicContact OE1-NZ 2.66Å; E626-K641 PolarHBondContact OE1-NZ 2.98Å; E626-K641 IonicContact OE2-NZ 3.85Å; E626-K641 PolarHBondContact OE2-NZ 3.04Å |
| 627 | H | 86 | Confident | 89.2 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 59.1 | 179.9 | -56.7 | 89.2 | 0 | 0 | 0 | 112.6 | F515 I538 D624 I625 | F515-H627 HydrophobicContact CD2-CB 4.13Å; F515-H627 VanDerWaalsContact CD2-O 3.29Å; F515-H627 WeakPolarHBondContact CD2-O 3.36Å; F515-H627 HydrophobicContact CE2-CB 4.33Å; F515-H627 WeakPolarHBondContact CE2-O 3.45Å; I538-H627 HydrophobicContact CD1-CB 3.56Å; D624-H627 PolarHBondContact O-N 3.44Å; I625-H627 PolarHBondContact O-CE1 3.47Å; I625-H627 VanDerWaalsContact O-CE1 3.25Å; I625-H627 PolarHBondContact O-N 2.88Å; I625-H627 PolarHBondContact O-ND1 3.34Å |
| 628 | H | 87.6 | Confident | 89.3 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | trans | -64.2 | 140.9 | 172.3 | -69.2 | -70.5 | 0 | 0 | 0 | 111.2 | F515 E626 E633 S637 | F515-H628 VanDerWaalsContact CD2-O 3.32Å; F515-H628 WeakPolarHBondContact CD2-O 3.17Å; E626-H628 WeakPolarHBondContact CB-NE2 3.27Å; E626-H628 PolarHBondContact O-N 3.44Å; E626-H628 IonicContact OE2-CD2 3.78Å; E626-H628 IonicContact OE2-CE1 3.59Å; E626-H628 IonicContact OE2-NE2 3.79Å; E626-H628 PolarHBondContact OE2-NE2 3.46Å; H628-E633 HydrophobicContact CB-CB 4.16Å; H628-S637 WeakPolarHBondContact NE2-CB 3.48Å; H628-S637 PolarHBondContact NE2-OG 2.81Å | ||
| 629 | R | 83.6 | Confident | 89.4 | Confident | 74 Ų | 74 | 42 Ų | 42 | 28% | 0.279 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -72 | -48.1 | -177.5 | 177.5 | -175 | 166.8 | 168.4 | 3.6 | 111 | P511 R512 F515 N528 E535 | P511-R629 CarbonylContact C-O 3.58Å; P511-R629 VanDerWaalsContact CA-O 3.31Å; P511-R629 WeakPolarHBondContact CA-O 3.4Å; P511-R629 HydrophobicContact CB-CG 4.39Å; R512-R629 PolarHBondContact N-O 3.12Å; F515-R629 HydrophobicContact CE1-CB 4.5Å; F515-R629 HydrophobicContact CE1-CG 4.32Å; F515-R629 HydrophobicContact CE2-CB 4.31Å; F515-R629 HydrophobicContact CZ-CB 4.23Å; F515-R629 HydrophobicContact CZ-CG 4.46Å; N528-R629 PolarHBondContact ND2-NH2 3.12Å; E535-R629 IonicContact OE1-CZ 3.83Å; E535-R629 IonicContact OE1-NE 2.63Å; E535-R629 IonicContact OE1-NH1 3.79Å; E535-R629 PolarHBondContact OE1-NH1 3.43Å; E535-R629 IonicContact OE1-NH2 3.14Å; E535-R629 PolarHBondContact OE1-NH2 3.39Å; E535-R629 IonicContact OE2-CZ 2.6Å; E535-R629 IonicContact OE2-NE 3.18Å; E535-R629 PolarHBondContact OE2-NE 3Å; E535-R629 IonicContact OE2-NH1 2.88Å; E535-R629 IonicContact OE2-NH2 3.08Å; E535-R629 PolarHBondContact OE2-NH2 3.05Å |
| 630 | T | 84.7 | Confident | 89.4 | Confident | 19 Ų | 19 | 46 Ų | 46 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -107.7 | 155.7 | -174.6 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | Q509 V632 E633 Y634 | Q509-T630 HydrophobicContact CB-CG2 4.15Å; T630-V632 VanDerWaalsContact C-N 3.31Å; T630-V632 PolarHBondContact O-N 3.35Å; T630-E633 PolarHBondContact O-N 3.36Å; T630-E633 WeakPolarHBondContact OG1-CB 3.32Å; T630-E633 VanDerWaalsContact OG1-CG 3.27Å; T630-E633 WeakPolarHBondContact OG1-CG 3.28Å; T630-E633 PolarHBondContact OG1-N 3.01Å; T630-Y634 PolarHBondContact O-N 3.24Å; T630-Y634 VanDerWaalsContact O-N 3.13Å |
| 631 | Q | 85.6 | Confident | 89.6 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -35.6 | 178.4 | -173.2 | 61.8 | 33.5 | 0 | 0 | 111.7 | Y634 D635 | Q631-Y634 WeakPolarHBondContact O-CB 3.32Å; Q631-Y634 PolarHBondContact O-N 3.02Å; Q631-D635 PolarHBondContact NE2-OD1 2.67Å; Q631-D635 PolarHBondContact NE2-OD2 2.97Å; Q631-D635 WeakPolarHBondContact O-CB 3.47Å; Q631-D635 PolarHBondContact O-N 2.76Å |
| 632 | V | 86.1 | Confident | 89.7 | Confident | 56 Ų | 56 | 37.4 Ų | 37.4 | 34% | 0.339 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.6 | -41.7 | 178 | 170.9 | 0 | 0 | 0 | 0 | 112 | Q509 T630 D635 N636 | Q509-V632 VanDerWaalsContact OE1-CG2 3.28Å; T630-V632 VanDerWaalsContact C-N 3.31Å; T630-V632 PolarHBondContact O-N 3.35Å; V632-D635 PolarHBondContact O-N 3.36Å; V632-N636 WeakPolarHBondContact CG1-ND2 3.44Å; V632-N636 VanDerWaalsContact O-CB 3.24Å; V632-N636 WeakPolarHBondContact O-CB 3.46Å; V632-N636 PolarHBondContact O-N 2.9Å; V632-N636 PolarHBondContact O-ND2 2.73Å |
| 633 | E | 89.3 | Confident | 89.7 | Confident | 95 Ų | 95 | 37.5 Ų | 37.5 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.5 | -75.8 | 177.1 | 179.9 | 0 | 0 | 111.5 | H628 T630 S637 | H628-E633 HydrophobicContact CB-CB 4.16Å; T630-E633 PolarHBondContact O-N 3.36Å; T630-E633 WeakPolarHBondContact OG1-CB 3.32Å; T630-E633 VanDerWaalsContact OG1-CG 3.27Å; T630-E633 WeakPolarHBondContact OG1-CG 3.28Å; T630-E633 PolarHBondContact OG1-N 3.01Å; E633-S637 VanDerWaalsContact O-CB 3.24Å; E633-S637 WeakPolarHBondContact O-CB 3.4Å; E633-S637 PolarHBondContact O-N 3.38Å |
| 634 | Y | 90.9 | Very high | 89.8 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 6% | 0.059 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -52.1 | 174.5 | 179.8 | -91.1 | 0 | 0 | 0 | 111.5 | T623 D624 T630 Q631 N636 S637 L638 | T623-Y634 HydrophobicContact CG2-CD2 3.42Å; T623-Y634 VanDerWaalsContact CG2-CD2 3.42Å; T623-Y634 HydrophobicContact CG2-CE2 3.44Å; T623-Y634 VanDerWaalsContact CG2-CE2 3.44Å; T623-Y634 HydrophobicContact CG2-CG 4.07Å; D624-Y634 WeakPolarHBondContact OD1-CE2 3.28Å; D624-Y634 VanDerWaalsContact OD1-CZ 3.23Å; D624-Y634 PolarHBondContact OD1-OH 3.35Å; T630-Y634 PolarHBondContact O-N 3.24Å; T630-Y634 VanDerWaalsContact O-N 3.13Å; Q631-Y634 WeakPolarHBondContact O-CB 3.32Å; Q631-Y634 PolarHBondContact O-N 3.02Å; Y634-N636 PolarHBondContact O-N 2.89Å; Y634-S637 PolarHBondContact O-N 3.23Å; Y634-L638 HydrophobicContact CE1-CD2 3.73Å; Y634-L638 VanDerWaalsContact O-CB 3.27Å; Y634-L638 WeakPolarHBondContact O-CB 3.27Å; Y634-L638 PolarHBondContact O-N 2.94Å |
| 635 | D | 90.6 | Very high | 90 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -39.2 | -177.1 | -72.4 | -16 | 0 | 0 | 0 | 112 | Q631 V632 T639 R779 | Q631-D635 PolarHBondContact NE2-OD1 2.67Å; Q631-D635 PolarHBondContact NE2-OD2 2.97Å; Q631-D635 WeakPolarHBondContact O-CB 3.47Å; Q631-D635 PolarHBondContact O-N 2.76Å; V632-D635 PolarHBondContact O-N 3.36Å; D635-T639 WeakPolarHBondContact O-CB 3.4Å; D635-T639 PolarHBondContact O-N 3.44Å; D635-T639 PolarHBondContact O-OG1 3.12Å; D635-R779 VanDerWaalsContact OD1-CD 3.28Å; D635-R779 WeakPolarHBondContact OD1-CD 3.43Å |
| 636 | N | 92.2 | Very high | 90.1 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 33% | 0.326 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.6 | -46.1 | 175.6 | -75.1 | -23.9 | 0 | 0 | 0 | 111.5 | V632 Y634 T639 L640 | V632-N636 WeakPolarHBondContact CG1-ND2 3.44Å; V632-N636 VanDerWaalsContact O-CB 3.24Å; V632-N636 WeakPolarHBondContact O-CB 3.46Å; V632-N636 PolarHBondContact O-N 2.9Å; V632-N636 PolarHBondContact O-ND2 2.73Å; Y634-N636 PolarHBondContact O-N 2.89Å; N636-T639 PolarHBondContact O-N 3.16Å; N636-L640 WeakPolarHBondContact O-CB 3.46Å; N636-L640 PolarHBondContact O-N 3.35Å |
| 637 | S | 93 | Very high | 90.3 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | E626 H628 E633 Y634 L640 K641 | E626-S637 PolarHBondContact OE2-OG 2.93Å; H628-S637 WeakPolarHBondContact NE2-CB 3.48Å; H628-S637 PolarHBondContact NE2-OG 2.81Å; E633-S637 VanDerWaalsContact O-CB 3.24Å; E633-S637 WeakPolarHBondContact O-CB 3.4Å; E633-S637 PolarHBondContact O-N 3.38Å; Y634-S637 PolarHBondContact O-N 3.23Å; S637-L640 PolarHBondContact O-N 3.46Å; S637-K641 WeakPolarHBondContact O-CG 3.24Å; S637-K641 PolarHBondContact O-N 3.39Å; S637-K641 VanDerWaalsContact O-N 3.08Å; S637-K641 PolarHBondContact OG-NZ 3.39Å |
| 638 | L | 92.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.6 | -177.4 | 53.5 | 0 | 0 | 0 | 111.8 | A619 T620 T623 Y634 K641 L642 R779 | A619-L638 VanDerWaalsContact C-CD1 3.48Å; A619-L638 HydrophobicContact CB-CD1 3.7Å; A619-L638 WeakPolarHBondContact O-CD1 3.43Å; T620-L638 HydrophobicContact CG2-CD1 4.27Å; T620-L638 HydrophobicContact CG2-CD2 4.16Å; T623-L638 HydrophobicContact CG2-CB 4.12Å; Y634-L638 HydrophobicContact CE1-CD2 3.73Å; Y634-L638 VanDerWaalsContact O-CB 3.27Å; Y634-L638 WeakPolarHBondContact O-CB 3.27Å; Y634-L638 PolarHBondContact O-N 2.94Å; L638-K641 PolarHBondContact O-N 3.23Å; L638-L642 HydrophobicContact CD1-CD1 3.78Å; L638-L642 HydrophobicContact CD1-CG 4.05Å; L638-L642 HydrophobicContact CG-CD1 3.92Å; L638-L642 WeakPolarHBondContact O-CB 2.77Å; L638-L642 WeakPolarHBondContact O-CG 3.31Å; L638-L642 PolarHBondContact O-N 3.27Å; L638-R779 VanDerWaalsContact CD2-NH2 3.33Å |
| 639 | T | 92.9 | Very high | 90.8 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.6 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | D635 N636 Y643 F782 I841 W842 I845 | D635-T639 WeakPolarHBondContact O-CB 3.4Å; D635-T639 PolarHBondContact O-N 3.44Å; D635-T639 PolarHBondContact O-OG1 3.12Å; N636-T639 PolarHBondContact O-N 3.16Å; T639-Y643 VanDerWaalsContact O-CB 3.27Å; T639-Y643 WeakPolarHBondContact O-CB 3.42Å; T639-Y643 PolarHBondContact O-N 3.2Å; T639-F782 HydrophobicContact CG2-CD2 4.22Å; T639-F782 HydrophobicContact CG2-CE2 3.92Å; T639-I841 HydrophobicContact CG2-CG2 3.57Å; T639-W842 HydrophobicContact CG2-CD2 4.41Å; T639-W842 HydrophobicContact CG2-CH2 3.71Å; T639-W842 HydrophobicContact CG2-CZ2 3.54Å; T639-W842 HydrophobicContact CG2-CZ3 4.19Å; T639-I845 HydrophobicContact CG2-CD1 4.47Å |
| 640 | L | 92.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 30.3 Ų | 30.3 | 44% | 0.44 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 178.5 | -176.8 | 145.6 | 0 | 0 | 0 | 111.8 | N636 S637 Y643 L644 | N636-L640 WeakPolarHBondContact O-CB 3.46Å; N636-L640 PolarHBondContact O-N 3.35Å; S637-L640 PolarHBondContact O-N 3.46Å; L640-Y643 PolarHBondContact O-N 3.45Å; L640-L644 HydrophobicContact CD2-CD1 3.58Å; L640-L644 HydrophobicContact CD2-CG 4.4Å; L640-L644 HydrophobicContact CG-CD1 4.3Å; L640-L644 WeakPolarHBondContact O-CB 3.43Å; L640-L644 WeakPolarHBondContact O-CG 3.42Å; L640-L644 PolarHBondContact O-N 3.27Å |
| 641 | K | 93.2 | Very high | 91.6 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 6% | 0.057 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 177.6 | -72.8 | -176.5 | -175.7 | 73.8 | 0 | 112.5 | S551 V555 A619 E626 S637 L638 Y643 L644 L645 | S551-K641 WeakPolarHBondContact OG-CE 3.42Å; V555-K641 HydrophobicContact CG2-CD 4.17Å; V555-K641 HydrophobicContact CG2-CG 4.27Å; A619-K641 HydrophobicContact CB-CB 4.42Å; E626-K641 WeakPolarHBondContact OE1-CE 3.38Å; E626-K641 IonicContact OE1-NZ 2.66Å; E626-K641 PolarHBondContact OE1-NZ 2.98Å; E626-K641 IonicContact OE2-NZ 3.85Å; E626-K641 PolarHBondContact OE2-NZ 3.04Å; S637-K641 WeakPolarHBondContact O-CG 3.24Å; S637-K641 PolarHBondContact O-N 3.39Å; S637-K641 VanDerWaalsContact O-N 3.08Å; S637-K641 PolarHBondContact OG-NZ 3.39Å; L638-K641 PolarHBondContact O-N 3.23Å; K641-Y643 VanDerWaalsContact C-N 3.34Å; K641-Y643 PolarHBondContact O-N 3.11Å; K641-L644 PolarHBondContact O-N 3.48Å; K641-L645 WeakPolarHBondContact O-CG 3.49Å; K641-L645 PolarHBondContact O-N 2.89Å |
| 642 | L | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | -179.5 | -73.9 | 172 | 0 | 0 | 0 | 111.7 | D616 A619 L638 Q646 F782 | D616-L642 WeakPolarHBondContact OD1-CD2 3.46Å; A619-L642 HydrophobicContact CB-CD2 3.44Å; A619-L642 VanDerWaalsContact CB-CD2 3.44Å; A619-L642 HydrophobicContact CB-CG 3.74Å; L638-L642 HydrophobicContact CD1-CD1 3.78Å; L638-L642 HydrophobicContact CD1-CG 4.05Å; L638-L642 HydrophobicContact CG-CD1 3.92Å; L638-L642 WeakPolarHBondContact O-CB 2.77Å; L638-L642 WeakPolarHBondContact O-CG 3.31Å; L638-L642 PolarHBondContact O-N 3.27Å; L642-Q646 WeakPolarHBondContact O-CB 3.2Å; L642-Q646 WeakPolarHBondContact O-CG 3.5Å; L642-Q646 PolarHBondContact O-N 2.94Å; L642-F782 HydrophobicContact CB-CE1 4.46Å; L642-F782 HydrophobicContact CB-CE2 4.38Å; L642-F782 HydrophobicContact CB-CZ 3.61Å; L642-F782 HydrophobicContact CD1-CE1 3.57Å; L642-F782 HydrophobicContact CD1-CE2 4.21Å; L642-F782 HydrophobicContact CD1-CZ 3.35Å; L642-F782 HydrophobicContact CG-CZ 4.11Å |
| 643 | Y | 93.4 | Very high | 92.1 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.2 | 177.5 | -98.8 | 0 | 0 | 0 | 111.8 | T639 L640 K641 L645 Q646 F647 L786 M789 I790 W842 I845 | T639-Y643 VanDerWaalsContact O-CB 3.27Å; T639-Y643 WeakPolarHBondContact O-CB 3.42Å; T639-Y643 PolarHBondContact O-N 3.2Å; L640-Y643 PolarHBondContact O-N 3.45Å; K641-Y643 VanDerWaalsContact C-N 3.34Å; K641-Y643 PolarHBondContact O-N 3.11Å; Y643-L645 PolarHBondContact O-N 3.3Å; Y643-Q646 PolarHBondContact O-N 2.94Å; Y643-F647 HydrophobicContact CE1-CB 4.43Å; Y643-F647 HydrophobicContact CE1-CD2 4.28Å; Y643-F647 VanDerWaalsContact O-CB 3.24Å; Y643-F647 WeakPolarHBondContact O-CB 3.29Å; Y643-F647 PolarHBondContact O-N 3.25Å; Y643-L786 HydrophobicContact CD2-CD1 3.9Å; Y643-M789 HydrophobicContact CE2-CB 4.09Å; Y643-I790 HydrophobicContact CE2-CD1 4.33Å; Y643-W842 HydrophobicContact CD2-CZ3 4.25Å; Y643-I845 HydrophobicContact CD1-CD1 4.18Å; Y643-I845 HydrophobicContact CD1-CG1 4.36Å; Y643-I845 HydrophobicContact CD1-CG2 4Å; Y643-I845 HydrophobicContact CD2-CG2 4.18Å; Y643-I845 HydrophobicContact CE1-CG2 3.51Å; Y643-I845 HydrophobicContact CE2-CG2 3.71Å; Y643-I845 HydrophobicContact CG-CD1 4.07Å; Y643-I845 HydrophobicContact CG-CG2 4.31Å |
| 644 | L | 92.4 | Very high | 92.1 | Very high | 79 Ų | 79 | 21.2 Ų | 21.2 | 41% | 0.414 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -61 | -46.1 | 178.8 | -73.8 | 175.4 | 0 | 0 | 0 | 112.3 | L640 K641 Q646 F647 V648 | L640-L644 HydrophobicContact CD2-CD1 3.58Å; L640-L644 HydrophobicContact CD2-CG 4.4Å; L640-L644 HydrophobicContact CG-CD1 4.3Å; L640-L644 WeakPolarHBondContact O-CB 3.43Å; L640-L644 WeakPolarHBondContact O-CG 3.42Å; L640-L644 PolarHBondContact O-N 3.27Å; K641-L644 PolarHBondContact O-N 3.48Å; L644-Q646 VanDerWaalsContact C-N 3.34Å; L644-Q646 PolarHBondContact O-N 3Å; L644-F647 WeakPolarHBondContact O-CB 3.08Å; L644-F647 PolarHBondContact O-N 3.47Å; L644-V648 WeakPolarHBondContact O-CG2 3.39Å; L644-V648 PolarHBondContact O-N 3.19Å; L644-V648 VanDerWaalsContact O-N 3.1Å |
| 645 | L | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 178.3 | -69.7 | 168.1 | 0 | 0 | 0 | 111.6 | V555 T558 V559 Y615 M618 K641 Y643 N649 | V555-L645 HydrophobicContact CG1-CD2 4.41Å; T558-L645 VanDerWaalsContact OG1-CD2 3.32Å; T558-L645 WeakPolarHBondContact OG1-CD2 3.37Å; V559-L645 HydrophobicContact CG2-CD2 4.17Å; Y615-L645 HydrophobicContact CD1-CB 4.48Å; Y615-L645 HydrophobicContact CD1-CD1 4.23Å; Y615-L645 HydrophobicContact CD2-CB 3.92Å; Y615-L645 HydrophobicContact CE2-CB 4.37Å; Y615-L645 HydrophobicContact CG-CB 4.03Å; Y615-L645 HydrophobicContact CG-CD1 4.17Å; M618-L645 HydrophobicContact CE-CD1 3.43Å; M618-L645 VanDerWaalsContact CE-CD1 3.43Å; M618-L645 HydrophobicContact CE-CD2 4.37Å; K641-L645 WeakPolarHBondContact O-CG 3.49Å; K641-L645 PolarHBondContact O-N 2.89Å; Y643-L645 PolarHBondContact O-N 3.3Å; L645-N649 WeakPolarHBondContact O-CB 3.46Å; L645-N649 PolarHBondContact O-N 3.19Å; L645-N649 VanDerWaalsContact O-N 3.09Å |
| 646 | Q | 91.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 2% | 0.023 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.3 | -37.1 | 176.7 | -70.7 | -170.7 | 19.6 | 0 | 0 | 112.7 | L642 Y643 L644 V648 N649 Y650 L786 | L642-Q646 WeakPolarHBondContact O-CB 3.2Å; L642-Q646 WeakPolarHBondContact O-CG 3.5Å; L642-Q646 PolarHBondContact O-N 2.94Å; Y643-Q646 PolarHBondContact O-N 2.94Å; L644-Q646 VanDerWaalsContact C-N 3.34Å; L644-Q646 PolarHBondContact O-N 3Å; Q646-V648 VanDerWaalsContact C-N 3.33Å; Q646-V648 PolarHBondContact O-N 3.29Å; Q646-N649 PolarHBondContact O-N 3.12Å; Q646-Y650 HydrophobicContact CB-CD2 4.26Å; Q646-Y650 HydrophobicContact CB-CE2 4.39Å; Q646-Y650 VanDerWaalsContact O-CD2 3.26Å; Q646-Y650 WeakPolarHBondContact O-CD2 3.44Å; Q646-Y650 PolarHBondContact O-N 3.43Å; Q646-L786 VanDerWaalsContact CD-CD2 3.44Å; Q646-L786 VanDerWaalsContact NE2-CD2 3.28Å |
| 647 | F | 92.8 | Very high | 92 | Very high | 32 Ų | 32 | 19.9 Ų | 19.9 | 14% | 0.14 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.5 | -50.4 | 174.7 | 178.6 | -83 | 0 | 0 | 0 | 110.3 | Y643 L644 Y651 F655 M797 L849 I852 | Y643-F647 HydrophobicContact CE1-CB 4.43Å; Y643-F647 HydrophobicContact CE1-CD2 4.28Å; Y643-F647 VanDerWaalsContact O-CB 3.24Å; Y643-F647 WeakPolarHBondContact O-CB 3.29Å; Y643-F647 PolarHBondContact O-N 3.25Å; L644-F647 WeakPolarHBondContact O-CB 3.08Å; L644-F647 PolarHBondContact O-N 3.47Å; F647-Y651 HydrophobicContact CB-CD2 4.29Å; F647-Y651 HydrophobicContact CB-CE2 4.45Å; F647-Y651 HydrophobicContact CD1-CD2 4.06Å; F647-Y651 AromaticContact CD2-CD2 3.34Å; F647-Y651 HydrophobicContact CD2-CD2 3.34Å; F647-Y651 AromaticContact CD2-CE2 3.3Å; F647-Y651 HydrophobicContact CD2-CE2 3.3Å; F647-Y651 HydrophobicContact CE1-CD2 4.16Å; F647-Y651 AromaticContact CE2-CD2 3.44Å; F647-Y651 HydrophobicContact CE2-CD2 3.44Å; F647-Y651 VanDerWaalsContact CE2-CD2 3.44Å; F647-Y651 AromaticContact CE2-CE2 3.55Å; F647-Y651 HydrophobicContact CE2-CE2 3.55Å; F647-Y651 AromaticContact CG-CD2 3.64Å; F647-Y651 HydrophobicContact CG-CD2 3.64Å; F647-Y651 AromaticContact CG-CE2 3.97Å; F647-Y651 HydrophobicContact CG-CE2 3.97Å; F647-Y651 AromaticContact CZ-CD2 3.85Å; F647-Y651 HydrophobicContact CZ-CD2 3.85Å; F647-Y651 HydrophobicContact CZ-CE2 4.4Å; F647-Y651 WeakPolarHBondContact O-CB 3.39Å; F647-Y651 WeakPolarHBondContact O-CD2 3.24Å; F647-Y651 PolarHBondContact O-N 2.77Å; F647-F655 HydrophobicContact CE1-CE2 4.24Å; F647-F655 HydrophobicContact CZ-CE2 4.22Å; F647-M797 HydrophobicContact CE2-CE 4.19Å; F647-M797 HydrophobicContact CE2-SD 4.5Å; F647-L849 HydrophobicContact CE2-CD1 4.02Å; F647-I852 HydrophobicContact CE2-CD1 4.45Å; F647-I852 HydrophobicContact CZ-CD1 4.15Å |
| 648 | V | 93.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 18.9 Ų | 18.9 | 16% | 0.158 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | V559 T562 L563 L644 Q646 Y650 S652 | V559-V648 HydrophobicContact CG1-CG1 4.19Å; V559-V648 HydrophobicContact CG1-CG2 4.31Å; V559-V648 HydrophobicContact CG2-CG2 4.27Å; T562-V648 WeakPolarHBondContact OG1-CG1 3.45Å; L563-V648 HydrophobicContact CD2-CG1 4.3Å; L644-V648 WeakPolarHBondContact O-CG2 3.39Å; L644-V648 PolarHBondContact O-N 3.19Å; L644-V648 VanDerWaalsContact O-N 3.1Å; Q646-V648 VanDerWaalsContact C-N 3.33Å; Q646-V648 PolarHBondContact O-N 3.29Å; V648-Y650 PolarHBondContact O-N 3.29Å; V648-S652 WeakPolarHBondContact CG1-OG 3.33Å; V648-S652 WeakPolarHBondContact O-CB 3.39Å; V648-S652 PolarHBondContact O-N 3.36Å; V648-S652 PolarHBondContact O-OG 3.04Å |
| 649 | N | 91.2 | Very high | 91.6 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 7% | 0.07 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | -177.3 | -168.2 | 24.6 | 0 | 0 | 0 | 113.3 | I608 L611 Y615 L645 Q646 | I608-N649 WeakPolarHBondContact CA-ND2 3.11Å; I608-N649 PolarHBondContact O-ND2 3.48Å; L611-N649 WeakPolarHBondContact CD1-OD1 3.44Å; Y615-N649 HydrophobicContact CE2-CB 4.08Å; L645-N649 WeakPolarHBondContact O-CB 3.46Å; L645-N649 PolarHBondContact O-N 3.19Å; L645-N649 VanDerWaalsContact O-N 3.09Å; Q646-N649 PolarHBondContact O-N 3.12Å |
| 650 | Y | 91.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 2% | 0.024 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.7 | -45.2 | 179.8 | -80.9 | -72.8 | 0 | 0 | 0 | 112.8 | I608 Q646 V648 I696 K700 I790 F794 | I608-Y650 HydrophobicContact CD1-CD1 4.04Å; I608-Y650 HydrophobicContact CD1-CE1 4.35Å; I608-Y650 HydrophobicContact CG2-CD1 4.02Å; I608-Y650 HydrophobicContact CG2-CE1 3.48Å; I608-Y650 VanDerWaalsContact CG2-CE1 3.48Å; I608-Y650 HydrophobicContact CG2-CE2 4.15Å; Q646-Y650 HydrophobicContact CB-CD2 4.26Å; Q646-Y650 HydrophobicContact CB-CE2 4.39Å; Q646-Y650 VanDerWaalsContact O-CD2 3.26Å; Q646-Y650 WeakPolarHBondContact O-CD2 3.44Å; Q646-Y650 PolarHBondContact O-N 3.43Å; V648-Y650 PolarHBondContact O-N 3.29Å; Y650-I696 HydrophobicContact CD1-CG2 4.27Å; Y650-K700 HydrophobicContact CE1-CD 3.88Å; Y650-I790 HydrophobicContact CD2-CD1 4.13Å; Y650-I790 HydrophobicContact CD2-CG1 4.37Å; Y650-I790 HydrophobicContact CD2-CG2 4.15Å; Y650-I790 HydrophobicContact CE2-CG2 4.49Å; Y650-I790 HydrophobicContact CG-CG2 4.19Å; Y650-F794 HydrophobicContact CD1-CE2 4.48Å; Y650-F794 HydrophobicContact CD1-CZ 4.14Å; Y650-F794 HydrophobicContact CG-CZ 4.47Å |
| 651 | Y | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -93.3 | -22.6 | -168.9 | -57 | -58.8 | 0 | 0 | 0 | 114.9 | F647 S653 I654 F655 I790 G793 F794 M797 F798 | F647-Y651 HydrophobicContact CB-CD2 4.29Å; F647-Y651 HydrophobicContact CB-CE2 4.45Å; F647-Y651 HydrophobicContact CD1-CD2 4.06Å; F647-Y651 AromaticContact CD2-CD2 3.34Å; F647-Y651 HydrophobicContact CD2-CD2 3.34Å; F647-Y651 AromaticContact CD2-CE2 3.3Å; F647-Y651 HydrophobicContact CD2-CE2 3.3Å; F647-Y651 HydrophobicContact CE1-CD2 4.16Å; F647-Y651 AromaticContact CE2-CD2 3.44Å; F647-Y651 HydrophobicContact CE2-CD2 3.44Å; F647-Y651 VanDerWaalsContact CE2-CD2 3.44Å; F647-Y651 AromaticContact CE2-CE2 3.55Å; F647-Y651 HydrophobicContact CE2-CE2 3.55Å; F647-Y651 AromaticContact CG-CD2 3.64Å; F647-Y651 HydrophobicContact CG-CD2 3.64Å; F647-Y651 AromaticContact CG-CE2 3.97Å; F647-Y651 HydrophobicContact CG-CE2 3.97Å; F647-Y651 AromaticContact CZ-CD2 3.85Å; F647-Y651 HydrophobicContact CZ-CD2 3.85Å; F647-Y651 HydrophobicContact CZ-CE2 4.4Å; F647-Y651 WeakPolarHBondContact O-CB 3.39Å; F647-Y651 WeakPolarHBondContact O-CD2 3.24Å; F647-Y651 PolarHBondContact O-N 2.77Å; Y651-S653 VanDerWaalsContact C-N 3.25Å; Y651-S653 PolarHBondContact O-N 3.48Å; Y651-I654 PolarHBondContact O-N 3.22Å; Y651-F655 HydrophobicContact CG-CE2 4.47Å; Y651-F655 WeakPolarHBondContact O-CD2 3.21Å; Y651-F655 PolarHBondContact O-N 2.83Å; Y651-I790 HydrophobicContact CE2-CD1 4.07Å; Y651-I790 WeakPolarHBondContact OH-CA 3.18Å; Y651-I790 PolarHBondContact OH-O 2.93Å; Y651-G793 WeakPolarHBondContact OH-CA 3.24Å; Y651-F794 HydrophobicContact CD1-CD1 4.16Å; Y651-F794 AromaticContact CD1-CE1 3.76Å; Y651-F794 HydrophobicContact CD1-CE1 3.76Å; Y651-F794 HydrophobicContact CD1-CZ 4.34Å; Y651-F794 AromaticContact CE1-CD1 3.63Å; Y651-F794 HydrophobicContact CE1-CD1 3.63Å; Y651-F794 HydrophobicContact CE1-CD2 4.45Å; Y651-F794 AromaticContact CE1-CE1 3.52Å; Y651-F794 HydrophobicContact CE1-CE1 3.52Å; Y651-F794 HydrophobicContact CE1-CE2 4.4Å; Y651-F794 HydrophobicContact CE1-CG 4.09Å; Y651-F794 AromaticContact CE1-CZ 3.94Å; Y651-F794 HydrophobicContact CE1-CZ 3.94Å; Y651-M797 HydrophobicContact CD1-CE 4.29Å; Y651-M797 HydrophobicContact CD2-CE 4.32Å; Y651-M797 HydrophobicContact CE1-CE 3.83Å; Y651-M797 HydrophobicContact CE2-CE 3.9Å; Y651-F798 AromaticContact CD1-CE2 3.67Å; Y651-F798 HydrophobicContact CD1-CE2 3.67Å; Y651-F798 HydrophobicContact CD1-CZ 4.21Å; Y651-F798 HydrophobicContact CE1-CE2 4.03Å |
| 652 | S | 92.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 22.6 Ų | 22.6 | 14% | 0.14 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.8 | -39.1 | -176.8 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | V648 I654 F655 Y656 | V648-S652 WeakPolarHBondContact CG1-OG 3.33Å; V648-S652 WeakPolarHBondContact O-CB 3.39Å; V648-S652 PolarHBondContact O-N 3.36Å; V648-S652 PolarHBondContact O-OG 3.04Å; S652-I654 PolarHBondContact O-N 3.31Å; S652-F655 PolarHBondContact O-N 3.25Å; S652-Y656 WeakPolarHBondContact O-CB 3.49Å; S652-Y656 PolarHBondContact O-N 2.95Å |
| 653 | S | 89.8 | Confident | 89.6 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 4% | 0.035 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -29.3 | 178.6 | 68.5 | 0 | 0 | 0 | 0 | 114 | L566 N604 Y651 I657 Q692 | L566-S653 VanDerWaalsContact CD1-CB 3.45Å; N604-S653 WeakPolarHBondContact ND2-CB 3.26Å; N604-S653 PolarHBondContact ND2-OG 2.95Å; N604-S653 VanDerWaalsContact ND2-OG 3.08Å; Y651-S653 VanDerWaalsContact C-N 3.25Å; Y651-S653 PolarHBondContact O-N 3.48Å; S653-I657 WeakPolarHBondContact O-CG1 3.44Å; S653-Q692 PolarHBondContact O-NE2 2.67Å; S653-Q692 PolarHBondContact OG-NE2 2.96Å |
| 654 | I | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -86 | -41.7 | -178.4 | -64.3 | 165.2 | 0 | 0 | 0 | 109 | Y651 S652 Y656 I657 A658 L689 Q692 L693 I696 F794 F798 | Y651-I654 PolarHBondContact O-N 3.22Å; S652-I654 PolarHBondContact O-N 3.31Å; I654-Y656 VanDerWaalsContact C-N 3.31Å; I654-Y656 PolarHBondContact O-N 3.35Å; I654-I657 PolarHBondContact O-N 3.2Å; I654-A658 WeakPolarHBondContact O-CB 3.42Å; I654-A658 PolarHBondContact O-N 2.8Å; I654-L689 HydrophobicContact CB-CD1 4.28Å; I654-L689 HydrophobicContact CG2-CD1 3.37Å; I654-Q692 HydrophobicContact CG1-CG 4.32Å; I654-L693 HydrophobicContact CD1-CD2 3.78Å; I654-L693 HydrophobicContact CG1-CD2 4.42Å; I654-L693 HydrophobicContact CG2-CD2 4.04Å; I654-L693 HydrophobicContact CG2-CG 4.5Å; I654-I696 HydrophobicContact CD1-CD1 4.22Å; I654-I696 HydrophobicContact CG1-CD1 4.33Å; I654-F794 HydrophobicContact CD1-CD1 4.21Å; I654-F794 HydrophobicContact CD1-CE1 3.48Å; I654-F794 VanDerWaalsContact CD1-CE1 3.48Å; I654-F794 HydrophobicContact CD1-CZ 4.44Å; I654-F798 HydrophobicContact CB-CE1 4.33Å; I654-F798 HydrophobicContact CB-CZ 4.24Å; I654-F798 HydrophobicContact CG2-CD1 3.57Å; I654-F798 HydrophobicContact CG2-CD2 4.35Å; I654-F798 HydrophobicContact CG2-CE1 3.24Å; I654-F798 HydrophobicContact CG2-CE2 4.07Å; I654-F798 HydrophobicContact CG2-CG 4.13Å; I654-F798 HydrophobicContact CG2-CZ 3.51Å |
| 655 | F | 92.6 | Very high | 87.8 | Confident | 43 Ų | 43 | 27.6 Ų | 27.6 | 19% | 0.189 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -36.9 | 172.8 | -69.6 | -42.2 | 0 | 0 | 0 | 113 | F647 Y651 S652 A658 F659 M797 F798 T856 | F647-F655 HydrophobicContact CE1-CE2 4.24Å; F647-F655 HydrophobicContact CZ-CE2 4.22Å; Y651-F655 HydrophobicContact CG-CE2 4.47Å; Y651-F655 WeakPolarHBondContact O-CD2 3.21Å; Y651-F655 PolarHBondContact O-N 2.83Å; S652-F655 PolarHBondContact O-N 3.25Å; F655-A658 PolarHBondContact O-N 2.96Å; F655-F659 HydrophobicContact CB-CD2 4.33Å; F655-F659 HydrophobicContact CD1-CD2 4.07Å; F655-F659 AromaticContact CD1-CE2 3.59Å; F655-F659 HydrophobicContact CD1-CE2 3.59Å; F655-F659 HydrophobicContact CE1-CE2 4.16Å; F655-F659 PolarHBondContact O-N 3.39Å; F655-M797 HydrophobicContact CZ-SD 4.16Å; F655-F798 HydrophobicContact CD1-CE1 4.08Å; F655-F798 HydrophobicContact CD1-CZ 4.07Å; F655-F798 AromaticContact CE1-CE1 3.87Å; F655-F798 HydrophobicContact CE1-CE1 3.87Å; F655-F798 AromaticContact CE1-CZ 3.63Å; F655-F798 HydrophobicContact CE1-CZ 3.63Å; F655-F798 HydrophobicContact CZ-CZ 4.06Å; F655-T856 HydrophobicContact CE1-CG2 3.85Å |
| 656 | Y | 90.3 | Very high | 86.7 | Confident | 37 Ų | 37 | 28.6 Ų | 28.6 | 15% | 0.145 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -59.1 | -48.9 | 174.1 | 173.4 | -95.4 | 0 | 0 | 0 | 111.7 | V570 S652 I654 I660 Q661 S677 | V570-Y656 HydrophobicContact CB-CE1 4.33Å; V570-Y656 HydrophobicContact CG1-CE1 3.87Å; V570-Y656 VanDerWaalsContact CG1-OH 3.27Å; V570-Y656 WeakPolarHBondContact CG1-OH 3.49Å; V570-Y656 HydrophobicContact CG2-CD1 3.72Å; V570-Y656 HydrophobicContact CG2-CE1 3.44Å; V570-Y656 VanDerWaalsContact CG2-CE1 3.44Å; V570-Y656 HydrophobicContact CG2-CE2 4.34Å; V570-Y656 HydrophobicContact CG2-CG 4.29Å; S652-Y656 WeakPolarHBondContact O-CB 3.49Å; S652-Y656 PolarHBondContact O-N 2.95Å; I654-Y656 VanDerWaalsContact C-N 3.31Å; I654-Y656 PolarHBondContact O-N 3.35Å; Y656-I660 HydrophobicContact CD2-CB 3.85Å; Y656-I660 HydrophobicContact CD2-CD1 4.19Å; Y656-I660 HydrophobicContact CD2-CG2 3.91Å; Y656-I660 HydrophobicContact CE2-CB 4.13Å; Y656-I660 HydrophobicContact CE2-CG2 3.75Å; Y656-I660 WeakPolarHBondContact O-CA 3.47Å; Y656-I660 WeakPolarHBondContact O-CB 3.48Å; Y656-I660 PolarHBondContact O-N 3.23Å; Y656-Q661 HydrophobicContact CD1-CB 4.39Å; Y656-Q661 HydrophobicContact CE1-CB 3.94Å; Y656-Q661 HydrophobicContact CE1-CG 4.1Å; Y656-Q661 PolarHBondContact O-N 3.31Å; Y656-S677 PolarHBondContact OH-OG 3.02Å |
| 657 | I | 87.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -65.3 | -43.5 | 179 | -63.6 | 175 | 0 | 0 | 0 | 110.8 | S653 I654 E688 L689 Q692 | S653-I657 WeakPolarHBondContact O-CG1 3.44Å; I654-I657 PolarHBondContact O-N 3.2Å; I657-E688 HydrophobicContact CG2-CB 4.1Å; I657-L689 HydrophobicContact CB-CD1 4.27Å; I657-L689 HydrophobicContact CG2-CB 3.94Å; I657-L689 HydrophobicContact CG2-CD1 4.27Å; I657-Q692 HydrophobicContact CD1-CB 4.25Å; I657-Q692 HydrophobicContact CD1-CG 4.38Å |
| 658 | A | 88.7 | Confident | 85.1 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -67.6 | -40.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I654 F655 L689 T864 | I654-A658 WeakPolarHBondContact O-CB 3.42Å; I654-A658 PolarHBondContact O-N 2.8Å; F655-A658 PolarHBondContact O-N 2.96Å; A658-L689 HydrophobicContact CB-CD1 4.31Å; A658-L689 HydrophobicContact CB-CD2 4.12Å; A658-T864 PolarHBondContact O-OG1 2.85Å |
| 659 | F | 89.1 | Confident | 83.9 | Confident | 62 Ų | 62 | 28.3 Ų | 28.3 | 27% | 0.272 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -121 | -26 | -166.3 | -55.3 | -47.6 | 0 | 0 | 0 | 115.5 | F655 P663 T856 C859 I860 | F655-F659 HydrophobicContact CB-CD2 4.33Å; F655-F659 HydrophobicContact CD1-CD2 4.07Å; F655-F659 AromaticContact CD1-CE2 3.59Å; F655-F659 HydrophobicContact CD1-CE2 3.59Å; F655-F659 HydrophobicContact CE1-CE2 4.16Å; F655-F659 PolarHBondContact O-N 3.39Å; F659-P663 WeakPolarHBondContact O-CD 3.47Å; F659-P663 WeakPolarHBondContact O-CG 3.2Å; F659-T856 HydrophobicContact CE2-CG2 4.46Å; F659-T856 HydrophobicContact CZ-CG2 4.11Å; F659-C859 HydrophobicContact CD1-CB 4.24Å; F659-C859 HydrophobicContact CE1-CB 3.37Å; F659-C859 HydrophobicContact CZ-CB 3.65Å; F659-I860 HydrophobicContact CE1-CG1 4.04Å; F659-I860 HydrophobicContact CZ-CG1 3.97Å |
| 660 | I | 86.9 | Confident | 82.8 | Confident | 87 Ų | 87 | 29.3 Ų | 29.3 | 45% | 0.446 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -104.5 | -42.6 | -173 | -59.7 | 175.6 | 0 | 0 | 0 | 111.2 | Y656 G662 T664 | Y656-I660 HydrophobicContact CD2-CB 3.85Å; Y656-I660 HydrophobicContact CD2-CD1 4.19Å; Y656-I660 HydrophobicContact CD2-CG2 3.91Å; Y656-I660 HydrophobicContact CE2-CB 4.13Å; Y656-I660 HydrophobicContact CE2-CG2 3.75Å; Y656-I660 WeakPolarHBondContact O-CA 3.47Å; Y656-I660 WeakPolarHBondContact O-CB 3.48Å; Y656-I660 PolarHBondContact O-N 3.23Å; I660-G662 PolarHBondContact O-N 3.5Å; I660-T664 HydrophobicContact CG2-CG2 4.12Å; I660-T664 WeakPolarHBondContact O-CB 3.49Å; I660-T664 WeakPolarHBondContact O-CG2 3.45Å; I660-T664 PolarHBondContact O-N 2.72Å; I660-T664 PolarHBondContact O-OG1 2.9Å |
| 661 | Q | 83.1 | Confident | 81.1 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -39.9 | -169.8 | -169.2 | 176.6 | -37.5 | 0 | 0 | 113.4 | Y656 S665 E688 | Y656-Q661 HydrophobicContact CD1-CB 4.39Å; Y656-Q661 HydrophobicContact CE1-CB 3.94Å; Y656-Q661 HydrophobicContact CE1-CG 4.1Å; Y656-Q661 PolarHBondContact O-N 3.31Å; Q661-S665 PolarHBondContact O-OG 3.24Å; Q661-E688 PolarHBondContact NE2-OE2 3.4Å |
| 662 | G | 78.7 | Confident | 79.2 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -59.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I660 T664 S665 C685 | I660-G662 PolarHBondContact O-N 3.5Å; G662-T664 PolarHBondContact O-N 3.33Å; G662-T664 VanDerWaalsContact O-N 3.16Å; G662-S665 VanDerWaalsContact O-CB 3.28Å; G662-S665 WeakPolarHBondContact O-CB 3.21Å; G662-S665 PolarHBondContact O-N 2.89Å; G662-S665 VanDerWaalsContact O-N 3.12Å; G662-S665 PolarHBondContact O-OG 3.47Å; G662-C685 WeakPolarHBondContact CA-SG 3.44Å |
| 663 | P | 79.2 | Confident | 77.2 | Confident | 101 Ų | 101 | 46.7 Ų | 46.7 | 66% | 0.656 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.7 | -175.9 | -26.8 | 36.3 | 0 | 0 | 0 | 115 | F659 S665 | F659-P663 WeakPolarHBondContact O-CD 3.47Å; F659-P663 WeakPolarHBondContact O-CG 3.2Å; P663-S665 VanDerWaalsContact C-N 3.28Å; P663-S665 PolarHBondContact O-N 3.41Å |
| 664 | T | 76.1 | Confident | 75.1 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.8 | -179.9 | 58.2 | 0 | 0 | 0 | 0 | 114 | I660 G662 A666 Q676 S677 | I660-T664 HydrophobicContact CG2-CG2 4.12Å; I660-T664 WeakPolarHBondContact O-CB 3.49Å; I660-T664 WeakPolarHBondContact O-CG2 3.45Å; I660-T664 PolarHBondContact O-N 2.72Å; I660-T664 PolarHBondContact O-OG1 2.9Å; G662-T664 PolarHBondContact O-N 3.33Å; G662-T664 VanDerWaalsContact O-N 3.16Å; T664-A666 PolarHBondContact O-N 3.32Å; T664-Q676 WeakPolarHBondContact O-CG 3.31Å; T664-S677 WeakPolarHBondContact OG1-CB 3.39Å |
| 665 | S | 72.2 | Confident | 73 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 30% | 0.301 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -60 | 126.2 | 179.6 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | Q661 G662 P663 G679 | Q661-S665 PolarHBondContact O-OG 3.24Å; G662-S665 VanDerWaalsContact O-CB 3.28Å; G662-S665 WeakPolarHBondContact O-CB 3.21Å; G662-S665 PolarHBondContact O-N 2.89Å; G662-S665 VanDerWaalsContact O-N 3.12Å; G662-S665 PolarHBondContact O-OG 3.47Å; P663-S665 VanDerWaalsContact C-N 3.28Å; P663-S665 PolarHBondContact O-N 3.41Å; S665-G679 WeakPolarHBondContact OG-CA 3.26Å |
| 666 | A | 69.2 | Low | 71 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 155.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T664 I673 Q676 | T664-A666 PolarHBondContact O-N 3.32Å; A666-I673 HydrophobicContact CB-CD1 3.23Å; A666-I673 HydrophobicContact CB-CG1 4.02Å; A666-Q676 HydrophobicContact CB-CB 4.35Å; A666-Q676 HydrophobicContact CB-CG 3.96Å |
| 667 | V | 76.7 | Confident | 69.3 | Low | 26 Ų | 26 | 63.5 Ų | 63.5 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 131 | 172.7 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | G669 S670 M894 | V667-G669 PolarHBondContact O-N 2.95Å; V667-S670 PolarHBondContact O-N 3.27Å; V667-S670 PolarHBondContact O-OG 2.87Å; V667-M894 HydrophobicContact CG1-CE 3.3Å |
| 668 | P | 75.3 | Confident | 67.7 | Low | 19 Ų | 19 | 65.6 Ų | 65.6 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 125.3 | 177 | -29.2 | 36.1 | 0 | 0 | 0 | 111.9 | C439 M894 R898 F899 Y910 | C439-P668 HydrophobicContact CB-CB 4.18Å; P668-M894 HydrophobicContact CB-CE 4.46Å; P668-R898 WeakPolarHBondContact O-CD 3.41Å; P668-F899 HydrophobicContact CB-CE1 4.2Å; P668-F899 HydrophobicContact CB-CZ 3.74Å; P668-Y910 HydrophobicContact CG-CD2 4.15Å; P668-Y910 HydrophobicContact CG-CG 4.13Å |
| 669 | G | 66.9 | Low | 66.5 | Low | 12 Ų | 12 | 65.9 Ų | 65.9 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 13.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | V667 R898 | V667-G669 PolarHBondContact O-N 2.95Å; G669-R898 PolarHBondContact O-NE 3.12Å |
| 670 | S | 68.1 | Low | 65.7 | Low | 33 Ų | 33 | 63.1 Ų | 63.1 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | trans | -78.1 | 134.3 | 168.1 | 60.2 | 0 | 0 | 0 | 0 | 112 | V667 H672 I673 | V667-S670 PolarHBondContact O-N 3.27Å; V667-S670 PolarHBondContact O-OG 2.87Å; S670-H672 VanDerWaalsContact C-N 3.34Å; S670-H672 PolarHBondContact O-N 3.21Å; S670-I673 WeakPolarHBondContact OG-CD1 3.24Å | ||
| 671 | E | 57.3 | Low | 64.6 | Low | 151 Ų | 151 | 59.4 Ų | 59.4 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -76.5 | -15.4 | -173.1 | -59.2 | -165.7 | 153 | 0 | 0 | 114.6 | K443 I673 | K443-E671 IonicContact NZ-OE1 2.65Å; K443-E671 PolarHBondContact NZ-OE1 3.28Å; E671-I673 PolarHBondContact O-N 3.3Å |
| 672 | H | 51.7 | Low | 63.6 | Low | 173 Ų | 173 | 61.3 Ų | 61.3 | 80% | 0.801 | 34% | 0.341 | S | S | * | . | trans | -95.1 | 74 | -174.4 | -71.1 | -69 | 0 | 0 | 0 | 113.2 | S670 | S670-H672 VanDerWaalsContact C-N 3.34Å; S670-H672 PolarHBondContact O-N 3.21Å | ||
| 673 | I | 50.9 | Low | 62.7 | Low | 67 Ų | 67 | 62 Ų | 62 | 34% | 0.344 | 35% | 0.348 | S | S | . | . | trans | -150.2 | 92.1 | 179.3 | -48.6 | 165.8 | 0 | 0 | 0 | 114.1 | A666 S670 E671 Q676 | A666-I673 HydrophobicContact CB-CD1 3.23Å; A666-I673 HydrophobicContact CB-CG1 4.02Å; S670-I673 WeakPolarHBondContact OG-CD1 3.24Å; E671-I673 PolarHBondContact O-N 3.3Å; I673-Q676 HydrophobicContact CB-CB 4.32Å; I673-Q676 HydrophobicContact CG1-CB 4.1Å; I673-Q676 HydrophobicContact CG2-CB 3.53Å; I673-Q676 WeakPolarHBondContact CG2-O 3.44Å | ||
| 674 | L | 45.2 | Very low | 62.3 | Low | 167 Ų | 167 | 58.1 Ų | 58.1 | 87% | 0.874 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -107 | -9.4 | 153.9 | -135.1 | 105.6 | 0 | 0 | 0 | 112.5 | ||
| 675 | I | 47.9 | Very low | 62.6 | Low | 167 Ų | 167 | 55.9 Ų | 55.9 | 86% | 0.856 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -130.3 | -13.8 | -173.2 | -56.7 | 175.5 | 0 | 0 | 0 | 112.7 | ||
| 676 | Q | 49.4 | Very low | 63.3 | Low | 92 Ų | 92 | 53.9 Ų | 53.9 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -82 | 126.6 | 175.6 | -152.4 | 163.4 | -1 | 0 | 0 | 110 | T664 A666 I673 T678 | T664-Q676 WeakPolarHBondContact O-CG 3.31Å; A666-Q676 HydrophobicContact CB-CB 4.35Å; A666-Q676 HydrophobicContact CB-CG 3.96Å; I673-Q676 HydrophobicContact CB-CB 4.32Å; I673-Q676 HydrophobicContact CG1-CB 4.1Å; I673-Q676 HydrophobicContact CG2-CB 3.53Å; I673-Q676 WeakPolarHBondContact CG2-O 3.44Å; Q676-T678 PolarHBondContact O-N 3.41Å |
| 677 | S | 55.1 | Low | 63.9 | Low | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -56.8 | 125.5 | -175.2 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | Y656 T664 G679 | Y656-S677 PolarHBondContact OH-OG 3.02Å; T664-S677 WeakPolarHBondContact OG1-CB 3.39Å; S677-G679 PolarHBondContact O-N 3.36Å | ||
| 678 | T | 54.3 | Low | 64.4 | Low | 46 Ų | 46 | 52.7 Ų | 52.7 | 28% | 0.282 | 28% | 0.283 | S | S | . | . | trans | -56.4 | 110.3 | 160.3 | 53.6 | 0 | 0 | 0 | 0 | 104.9 | L574 Q676 | L574-T678 HydrophobicContact CD1-CG2 3.94Å; L574-T678 HydrophobicContact CG-CG2 4.05Å; Q676-T678 PolarHBondContact O-N 3.41Å | ||
| 679 | G | 62.7 | Low | 65 | Low | 9 Ų | 9 | 51.8 Ų | 51.8 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | trans | -51 | 171.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K577 S665 S677 D681 | K577-G679 PolarHBondContact NZ-O 3.08Å; K577-G679 VanDerWaalsContact NZ-O 3.15Å; S665-G679 WeakPolarHBondContact OG-CA 3.26Å; S677-G679 PolarHBondContact O-N 3.36Å; G679-D681 PolarHBondContact O-N 3.48Å | ||
| 680 | C | 72.5 | Confident | 66.1 | Low | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -53.4 | 137.4 | 169.9 | -64.2 | 0 | 0 | 0 | 0 | 109.7 | Q682 G683 C685 | C680-Q682 PolarHBondContact O-N 3.36Å; C680-G683 PolarHBondContact O-N 3.5Å; C680-C685 HydrophobicContact CB-CB 3.88Å; C680-C685 WeakPolarHBondContact CB-SG 3.32Å; C680-C685 WeakPolarHBondContact SG-CA 3.39Å; C680-C685 WeakPolarHBondContact SG-CB 3.39Å; C680-C685 CovalentContact SG-SG 2Å; C680-C685 PolarHBondContact SG-SG 3.01Å |
| 681 | D | 64.7 | Low | 67 | Low | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -61.5 | 114.8 | -174.8 | -163.6 | 44.1 | 0 | 0 | 0 | 109.3 | R458 K577 Y581 G679 G683 E688 | R458-D681 IonicContact NH1-OD2 3.84Å; R458-D681 PolarHBondContact NH1-OD2 3.15Å; R458-D681 PolarHBondContact NH2-O 3.32Å; K577-D681 IonicContact NZ-OD1 2.77Å; Y581-D681 PolarHBondContact OH-OD1 3.01Å; G679-D681 PolarHBondContact O-N 3.48Å; D681-G683 VanDerWaalsContact C-N 3.29Å; D681-G683 PolarHBondContact O-N 3.33Å; D681-E688 PolarHBondContact N-OE1 3.24Å |
| 682 | Q | 62 | Low | 68.5 | Low | 56 Ų | 56 | 45.8 Ų | 45.8 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | 65.8 | 22.8 | -177.8 | -43.6 | 177 | -24.7 | 0 | 0 | 115.2 | W450 S455 C680 D684 | W450-Q682 HydrophobicContact CH2-CB 3.98Å; W450-Q682 HydrophobicContact CH2-CG 3.39Å; W450-Q682 HydrophobicContact CZ2-CB 4.38Å; W450-Q682 HydrophobicContact CZ2-CG 3.66Å; W450-Q682 HydrophobicContact CZ3-CG 4.19Å; S455-Q682 PolarHBondContact OG-NE2 2.99Å; S455-Q682 PolarHBondContact OG-OE1 3.28Å; C680-Q682 PolarHBondContact O-N 3.36Å; Q682-D684 VanDerWaalsContact C-N 3.31Å; Q682-D684 PolarHBondContact O-N 3.4Å |
| 683 | G | 58.8 | Low | 70.4 | Confident | 36 Ų | 36 | 37.8 Ų | 37.8 | 37% | 0.371 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | 89 | -16.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | C680 D681 | C680-G683 PolarHBondContact O-N 3.5Å; D681-G683 VanDerWaalsContact C-N 3.29Å; D681-G683 PolarHBondContact O-N 3.33Å |
| 684 | D | 70.8 | Confident | 72.2 | Confident | 18 Ų | 18 | 36.8 Ų | 36.8 | 10% | 0.096 | 20% | 0.201 | C | C | . | . | trans | -103.3 | 101.5 | -172.3 | -176.9 | 13 | 0 | 0 | 0 | 113.2 | R458 M462 Q682 L686 | R458-D684 PolarHBondContact NH2-O 2.82Å; M462-D684 WeakPolarHBondContact CE-OD1 3.42Å; M462-D684 WeakPolarHBondContact CG-OD2 3.41Å; Q682-D684 VanDerWaalsContact C-N 3.31Å; Q682-D684 PolarHBondContact O-N 3.4Å; D684-L686 WeakPolarHBondContact OD1-CB 3.46Å; D684-L686 PolarHBondContact OD1-N 3.43Å | ||
| 685 | C | 83.4 | Confident | 74.2 | Confident | 10 Ų | 10 | 30 Ų | 30 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | trans | -78.8 | -19.1 | 177.8 | -52.4 | 0 | 0 | 0 | 0 | 113.8 | G662 C680 F687 E688 L689 T864 | G662-C685 WeakPolarHBondContact CA-SG 3.44Å; C680-C685 HydrophobicContact CB-CB 3.88Å; C680-C685 WeakPolarHBondContact CB-SG 3.32Å; C680-C685 WeakPolarHBondContact SG-CA 3.39Å; C680-C685 WeakPolarHBondContact SG-CB 3.39Å; C680-C685 CovalentContact SG-SG 2Å; C680-C685 PolarHBondContact SG-SG 3.01Å; C685-F687 VanDerWaalsContact C-N 3.3Å; C685-F687 PolarHBondContact O-N 3.35Å; C685-E688 PolarHBondContact O-N 3.19Å; C685-L689 PolarHBondContact O-N 3.25Å; C685-T864 HydrophobicContact CB-CG2 4.26Å | ||
| 686 | L | 85.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.6 | -34.9 | -171.6 | -166.8 | 75.5 | 0 | 0 | 0 | 111 | M462 V465 D466 D684 L689 F690 A801 I860 T864 T865 | M462-L686 HydrophobicContact CE-CB 3.41Å; M462-L686 VanDerWaalsContact CE-CB 3.41Å; M462-L686 HydrophobicContact CE-CD2 3.36Å; M462-L686 HydrophobicContact CE-CG 3.95Å; M462-L686 HydrophobicContact SD-CB 3.62Å; M462-L686 HydrophobicContact SD-CD2 3.45Å; M462-L686 WeakPolarHBondContact SD-CD2 3.35Å; M462-L686 HydrophobicContact SD-CG 3.96Å; V465-L686 HydrophobicContact CG1-CD2 4.48Å; D466-L686 HydrophobicContact CB-CD2 4.07Å; D684-L686 WeakPolarHBondContact OD1-CB 3.46Å; D684-L686 PolarHBondContact OD1-N 3.43Å; L686-L689 HydrophobicContact CD1-CD2 4.2Å; L686-L689 WeakPolarHBondContact O-CB 3.5Å; L686-L689 PolarHBondContact O-N 3.2Å; L686-F690 WeakPolarHBondContact O-CB 3.36Å; L686-F690 PolarHBondContact O-N 3.02Å; L686-A801 HydrophobicContact CD1-CB 3.88Å; L686-I860 HydrophobicContact CD1-CG2 4.29Å; L686-T864 HydrophobicContact CB-CG2 4.12Å; L686-T864 HydrophobicContact CD1-CG2 3.64Å; L686-T865 HydrophobicContact CD1-CG2 4.15Å; L686-T865 HydrophobicContact CD2-CG2 4.12Å |
| 687 | F | 83.4 | Confident | 77.8 | Confident | 14 Ų | 14 | 18 Ų | 18 | 6% | 0.061 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 176.2 | -175.2 | -106.9 | 0 | 0 | 0 | 112.7 | R458 L461 M594 C685 L689 F690 I691 | R458-F687 HydrophobicContact CG-CD1 4.2Å; R458-F687 HydrophobicContact CG-CG 4.2Å; L461-F687 HydrophobicContact CB-CD2 4.49Å; L461-F687 HydrophobicContact CB-CE2 4.12Å; L461-F687 HydrophobicContact CD1-CE2 3.9Å; L461-F687 HydrophobicContact CD1-CZ 4.28Å; M594-F687 HydrophobicContact CE-CE1 3.98Å; M594-F687 HydrophobicContact CE-CZ 3.91Å; M594-F687 HydrophobicContact CG-CE1 4.36Å; C685-F687 VanDerWaalsContact C-N 3.3Å; C685-F687 PolarHBondContact O-N 3.35Å; F687-L689 VanDerWaalsContact C-N 3.28Å; F687-L689 PolarHBondContact O-N 3.12Å; F687-F690 HydrophobicContact CD2-CD1 4.41Å; F687-F690 HydrophobicContact CE2-CD1 4.38Å; F687-F690 PolarHBondContact O-N 3.29Å; F687-I691 HydrophobicContact CD1-CD1 3.94Å; F687-I691 HydrophobicContact CE1-CD1 3.28Å; F687-I691 HydrophobicContact CE1-CG1 4.34Å; F687-I691 HydrophobicContact CE2-CD1 4.29Å; F687-I691 HydrophobicContact CZ-CD1 3.49Å; F687-I691 VanDerWaalsContact CZ-CD1 3.49Å; F687-I691 HydrophobicContact CZ-CG1 4.23Å; F687-I691 PolarHBondContact O-N 2.97Å; F687-I691 VanDerWaalsContact O-N 3.09Å |
| 688 | E | 85.6 | Confident | 79.2 | Confident | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.1 | -38.7 | 174.8 | -67 | -173.4 | -157.3 | 0 | 0 | 111.1 | T597 I657 Q661 D681 C685 Q692 | T597-E688 HydrophobicContact CG2-CB 4.19Å; T597-E688 HydrophobicContact CG2-CG 4.45Å; I657-E688 HydrophobicContact CG2-CB 4.1Å; Q661-E688 PolarHBondContact NE2-OE2 3.4Å; D681-E688 PolarHBondContact N-OE1 3.24Å; C685-E688 PolarHBondContact O-N 3.19Å; E688-Q692 WeakPolarHBondContact O-CB 3.41Å; E688-Q692 PolarHBondContact O-N 2.92Å; E688-Q692 VanDerWaalsContact O-N 3.11Å |
| 689 | L | 89.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -48.6 | 175.6 | -174.5 | 66.7 | 0 | 0 | 0 | 112 | I654 I657 A658 C685 L686 F687 I691 Q692 L693 A801 T864 | I654-L689 HydrophobicContact CB-CD1 4.28Å; I654-L689 HydrophobicContact CG2-CD1 3.37Å; I657-L689 HydrophobicContact CB-CD1 4.27Å; I657-L689 HydrophobicContact CG2-CB 3.94Å; I657-L689 HydrophobicContact CG2-CD1 4.27Å; A658-L689 HydrophobicContact CB-CD1 4.31Å; A658-L689 HydrophobicContact CB-CD2 4.12Å; C685-L689 PolarHBondContact O-N 3.25Å; L686-L689 HydrophobicContact CD1-CD2 4.2Å; L686-L689 WeakPolarHBondContact O-CB 3.5Å; L686-L689 PolarHBondContact O-N 3.2Å; F687-L689 VanDerWaalsContact C-N 3.28Å; F687-L689 PolarHBondContact O-N 3.12Å; L689-I691 PolarHBondContact O-N 3.31Å; L689-Q692 PolarHBondContact O-N 3.47Å; L689-L693 HydrophobicContact CG-CD1 4.06Å; L689-L693 WeakPolarHBondContact O-CG 3.34Å; L689-L693 PolarHBondContact O-N 2.86Å; L689-A801 HydrophobicContact CD2-CB 3.73Å; L689-A801 HydrophobicContact CG-CB 4.13Å; L689-T864 HydrophobicContact CD2-CG2 4.25Å |
| 690 | F | 88.9 | Confident | 81.5 | Confident | 56 Ų | 56 | 18.2 Ų | 18.2 | 25% | 0.246 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.4 | -51.3 | 177.9 | 162.5 | -102.3 | 0 | 0 | 0 | 111.3 | L686 F687 Q692 L693 V694 A801 F802 | L686-F690 WeakPolarHBondContact O-CB 3.36Å; L686-F690 PolarHBondContact O-N 3.02Å; F687-F690 HydrophobicContact CD2-CD1 4.41Å; F687-F690 HydrophobicContact CE2-CD1 4.38Å; F687-F690 PolarHBondContact O-N 3.29Å; F690-Q692 VanDerWaalsContact C-N 3.3Å; F690-Q692 PolarHBondContact O-N 3.41Å; F690-L693 PolarHBondContact O-N 3.46Å; F690-V694 HydrophobicContact CD2-CG2 4.32Å; F690-V694 HydrophobicContact CE2-CG2 3.93Å; F690-V694 HydrophobicContact CZ-CG2 4.05Å; F690-V694 WeakPolarHBondContact O-CG2 3.24Å; F690-V694 PolarHBondContact O-N 3.44Å; F690-A801 WeakPolarHBondContact CD2-O 3.49Å; F690-F802 HydrophobicContact CD2-CB 4.3Å; F690-F802 AromaticContact CD2-CD2 3.83Å; F690-F802 HydrophobicContact CD2-CD2 3.83Å; F690-F802 HydrophobicContact CD2-CE2 4.41Å; F690-F802 HydrophobicContact CD2-CG 4.29Å; F690-F802 AromaticContact CE2-CD2 3.43Å; F690-F802 HydrophobicContact CE2-CD2 3.43Å; F690-F802 VanDerWaalsContact CE2-CD2 3.43Å; F690-F802 AromaticContact CE2-CE2 3.61Å; F690-F802 HydrophobicContact CE2-CE2 3.61Å; F690-F802 HydrophobicContact CE2-CG 4.28Å; F690-F802 HydrophobicContact CZ-CE2 4.48Å |
| 691 | I | 87.1 | Confident | 82 | Confident | 11 Ų | 11 | 19.1 Ų | 19.1 | 6% | 0.056 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.6 | -47.1 | 177 | -89.8 | 173.2 | 0 | 0 | 0 | 111.3 | M594 T597 M598 F687 L689 L693 V694 I695 | M594-I691 HydrophobicContact CG-CD1 3.92Å; T597-I691 HydrophobicContact CG2-CB 4.32Å; T597-I691 HydrophobicContact CG2-CG2 3.43Å; T597-I691 VanDerWaalsContact CG2-CG2 3.43Å; M598-I691 HydrophobicContact CE-CB 3.81Å; M598-I691 HydrophobicContact CE-CD1 3.64Å; M598-I691 HydrophobicContact CE-CG1 3.53Å; M598-I691 HydrophobicContact CE-CG2 3.07Å; F687-I691 HydrophobicContact CD1-CD1 3.94Å; F687-I691 HydrophobicContact CE1-CD1 3.28Å; F687-I691 HydrophobicContact CE1-CG1 4.34Å; F687-I691 HydrophobicContact CE2-CD1 4.29Å; F687-I691 HydrophobicContact CZ-CD1 3.49Å; F687-I691 VanDerWaalsContact CZ-CD1 3.49Å; F687-I691 HydrophobicContact CZ-CG1 4.23Å; F687-I691 PolarHBondContact O-N 2.97Å; F687-I691 VanDerWaalsContact O-N 3.09Å; L689-I691 PolarHBondContact O-N 3.31Å; I691-L693 VanDerWaalsContact C-N 3.34Å; I691-L693 PolarHBondContact O-N 3.49Å; I691-V694 PolarHBondContact O-N 2.83Å; I691-I695 HydrophobicContact CG2-CD1 4.1Å; I691-I695 WeakPolarHBondContact O-CG1 3.27Å; I691-I695 PolarHBondContact O-N 3.15Å |
| 692 | Q | 89.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | -175.8 | -179.4 | 156.3 | -49.4 | 0 | 0 | 111.5 | S601 S653 I654 I657 E688 L689 F690 I695 I696 | S601-Q692 PolarHBondContact OG-OE1 2.93Å; S653-Q692 PolarHBondContact O-NE2 2.67Å; S653-Q692 PolarHBondContact OG-NE2 2.96Å; I654-Q692 HydrophobicContact CG1-CG 4.32Å; I657-Q692 HydrophobicContact CD1-CB 4.25Å; I657-Q692 HydrophobicContact CD1-CG 4.38Å; E688-Q692 WeakPolarHBondContact O-CB 3.41Å; E688-Q692 PolarHBondContact O-N 2.92Å; E688-Q692 VanDerWaalsContact O-N 3.11Å; L689-Q692 PolarHBondContact O-N 3.47Å; F690-Q692 VanDerWaalsContact C-N 3.3Å; F690-Q692 PolarHBondContact O-N 3.41Å; Q692-I695 PolarHBondContact O-N 3.37Å; Q692-I696 HydrophobicContact CG-CD1 3.58Å; Q692-I696 HydrophobicContact CG-CG1 4.27Å; Q692-I696 WeakPolarHBondContact O-CB 3.5Å; Q692-I696 VanDerWaalsContact O-CG1 3.31Å; Q692-I696 WeakPolarHBondContact O-CG1 3.32Å; Q692-I696 PolarHBondContact O-N 3.37Å |
| 693 | L | 90.4 | Very high | 83.5 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 174 | -73.7 | 165.8 | 0 | 0 | 0 | 111.4 | I654 L689 F690 I691 I696 M697 F794 F798 A801 | I654-L693 HydrophobicContact CD1-CD2 3.78Å; I654-L693 HydrophobicContact CG1-CD2 4.42Å; I654-L693 HydrophobicContact CG2-CD2 4.04Å; I654-L693 HydrophobicContact CG2-CG 4.5Å; L689-L693 HydrophobicContact CG-CD1 4.06Å; L689-L693 WeakPolarHBondContact O-CG 3.34Å; L689-L693 PolarHBondContact O-N 2.86Å; F690-L693 PolarHBondContact O-N 3.46Å; I691-L693 VanDerWaalsContact C-N 3.34Å; I691-L693 PolarHBondContact O-N 3.49Å; L693-I696 PolarHBondContact O-N 3.24Å; L693-M697 WeakPolarHBondContact O-CB 3.43Å; L693-M697 PolarHBondContact O-N 3.25Å; L693-F794 HydrophobicContact CD2-CD1 4.11Å; L693-F798 HydrophobicContact CD1-CB 3.7Å; L693-F798 HydrophobicContact CD1-CG 4.35Å; L693-F798 HydrophobicContact CD2-CB 3.88Å; L693-F798 HydrophobicContact CD2-CD2 3.99Å; L693-F798 HydrophobicContact CD2-CG 3.91Å; L693-F798 HydrophobicContact CG-CB 4.47Å; L693-A801 HydrophobicContact CD1-CB 3.8Å |
| 694 | V | 88.2 | Confident | 84.3 | Confident | 45 Ų | 45 | 23.7 Ų | 23.7 | 27% | 0.273 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -60.1 | -49 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | F690 I691 V698 F802 | F690-V694 HydrophobicContact CD2-CG2 4.32Å; F690-V694 HydrophobicContact CE2-CG2 3.93Å; F690-V694 HydrophobicContact CZ-CG2 4.05Å; F690-V694 WeakPolarHBondContact O-CG2 3.24Å; F690-V694 PolarHBondContact O-N 3.44Å; I691-V694 PolarHBondContact O-N 2.83Å; V694-V698 HydrophobicContact CG1-CG2 4.29Å; V694-V698 WeakPolarHBondContact O-CB 3.24Å; V694-V698 WeakPolarHBondContact O-CG2 3.46Å; V694-V698 PolarHBondContact O-N 3.05Å; V694-F802 HydrophobicContact CG2-CE1 4.2Å; V694-F802 HydrophobicContact CG2-CE2 4.29Å; V694-F802 HydrophobicContact CG2-CZ 3.97Å |
| 695 | I | 87.8 | Confident | 84.6 | Confident | 26 Ų | 26 | 26.9 Ų | 26.9 | 13% | 0.133 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | -179.3 | -66.9 | 169.9 | 0 | 0 | 0 | 111.6 | M598 L602 I691 Q692 G699 | M598-I695 HydrophobicContact CE-CD1 3.65Å; M598-I695 HydrophobicContact CE-CG1 4.46Å; M598-I695 HydrophobicContact SD-CD1 3.74Å; L602-I695 HydrophobicContact CD2-CG2 4.2Å; I691-I695 HydrophobicContact CG2-CD1 4.1Å; I691-I695 WeakPolarHBondContact O-CG1 3.27Å; I691-I695 PolarHBondContact O-N 3.15Å; Q692-I695 PolarHBondContact O-N 3.37Å; I695-G699 WeakPolarHBondContact O-CA 3.17Å; I695-G699 PolarHBondContact O-N 3.01Å |
| 696 | I | 87.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.1 | -46.5 | -177.1 | -67 | 174.2 | 0 | 0 | 0 | 110.7 | Y650 I654 Q692 L693 K700 F794 | Y650-I696 HydrophobicContact CD1-CG2 4.27Å; I654-I696 HydrophobicContact CD1-CD1 4.22Å; I654-I696 HydrophobicContact CG1-CD1 4.33Å; Q692-I696 HydrophobicContact CG-CD1 3.58Å; Q692-I696 HydrophobicContact CG-CG1 4.27Å; Q692-I696 WeakPolarHBondContact O-CB 3.5Å; Q692-I696 VanDerWaalsContact O-CG1 3.31Å; Q692-I696 WeakPolarHBondContact O-CG1 3.32Å; Q692-I696 PolarHBondContact O-N 3.37Å; L693-I696 PolarHBondContact O-N 3.24Å; I696-K700 WeakPolarHBondContact O-CB 3.29Å; I696-K700 PolarHBondContact O-N 3.29Å; I696-F794 HydrophobicContact CG2-CE1 4.27Å; I696-F794 HydrophobicContact CG2-CE2 4.33Å; I696-F794 HydrophobicContact CG2-CZ 3.66Å |
| 697 | M | 85.8 | Confident | 83.7 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.7 | -52 | -176.9 | -175.9 | -176.2 | 161.1 | 0 | 0 | 111.4 | L693 Q701 I795 A805 F808 | L693-M697 WeakPolarHBondContact O-CB 3.43Å; L693-M697 PolarHBondContact O-N 3.25Å; M697-Q701 WeakPolarHBondContact O-CG 3.2Å; M697-Q701 PolarHBondContact O-N 3.27Å; M697-I795 HydrophobicContact CE-CD1 4.47Å; M697-I795 HydrophobicContact CE-CG1 4.44Å; M697-A805 WeakPolarHBondContact CE-O 3.45Å; M697-A805 HydrophobicContact SD-CB 4.34Å; M697-F808 HydrophobicContact CE-CB 3.52Å |
| 698 | V | 83.9 | Confident | 83.1 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 22% | 0.218 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.6 | -42.4 | -178.5 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | V694 K700 Q701 I702 F808 | V694-V698 HydrophobicContact CG1-CG2 4.29Å; V694-V698 WeakPolarHBondContact O-CB 3.24Å; V694-V698 WeakPolarHBondContact O-CG2 3.46Å; V694-V698 PolarHBondContact O-N 3.05Å; V698-K700 PolarHBondContact O-N 2.93Å; V698-Q701 PolarHBondContact O-N 3.34Å; V698-I702 HydrophobicContact CG1-CD1 3.68Å; V698-I702 HydrophobicContact CG1-CG1 4.24Å; V698-I702 VanDerWaalsContact O-CG1 3.3Å; V698-I702 WeakPolarHBondContact O-CG1 3.36Å; V698-I702 PolarHBondContact O-N 3.34Å; V698-F808 HydrophobicContact CG2-CD1 4.3Å |
| 699 | G | 83 | Confident | 82.3 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 22% | 0.216 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | I695 F703 | I695-G699 WeakPolarHBondContact O-CA 3.17Å; I695-G699 PolarHBondContact O-N 3.01Å; G699-F703 WeakPolarHBondContact O-CB 3.33Å; G699-F703 PolarHBondContact O-N 2.99Å |
| 700 | K | 83 | Confident | 81.4 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 173.2 | -178.9 | -164.7 | 170.6 | -174.7 | 0 | 111.1 | Y650 I696 V698 I702 F703 S704 | Y650-K700 HydrophobicContact CE1-CD 3.88Å; I696-K700 WeakPolarHBondContact O-CB 3.29Å; I696-K700 PolarHBondContact O-N 3.29Å; V698-K700 PolarHBondContact O-N 2.93Å; K700-I702 VanDerWaalsContact C-N 3.34Å; K700-I702 PolarHBondContact O-N 3.5Å; K700-F703 PolarHBondContact O-N 3.36Å; K700-F703 VanDerWaalsContact O-N 3.12Å; K700-S704 PolarHBondContact O-N 2.95Å; K700-S704 PolarHBondContact O-OG 2.76Å |
| 701 | Q | 82.1 | Confident | 80.6 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | -177.8 | -72.5 | 173 | 3.3 | 0 | 0 | 112 | M697 V698 F703 S704 F705 N812 | M697-Q701 WeakPolarHBondContact O-CG 3.2Å; M697-Q701 PolarHBondContact O-N 3.27Å; V698-Q701 PolarHBondContact O-N 3.34Å; Q701-F703 VanDerWaalsContact C-N 3.32Å; Q701-F703 PolarHBondContact O-N 3.48Å; Q701-S704 PolarHBondContact O-N 3.48Å; Q701-F705 WeakPolarHBondContact O-CB 3.44Å; Q701-F705 PolarHBondContact O-N 3Å; Q701-N812 VanDerWaalsContact CD-CB 3.49Å; Q701-N812 HydrophobicContact CG-CB 4.25Å; Q701-N812 VanDerWaalsContact CG-CG 3.49Å; Q701-N812 WeakPolarHBondContact CG-OD1 3.13Å |
| 702 | I | 80.9 | Confident | 79.5 | Confident | 93 Ų | 93 | 40.3 Ų | 40.3 | 48% | 0.477 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.7 | -69.7 | 171.8 | 0 | 0 | 0 | 110.3 | V698 K700 F705 I706 | V698-I702 HydrophobicContact CG1-CD1 3.68Å; V698-I702 HydrophobicContact CG1-CG1 4.24Å; V698-I702 VanDerWaalsContact O-CG1 3.3Å; V698-I702 WeakPolarHBondContact O-CG1 3.36Å; V698-I702 PolarHBondContact O-N 3.34Å; K700-I702 VanDerWaalsContact C-N 3.34Å; K700-I702 PolarHBondContact O-N 3.5Å; I702-F705 PolarHBondContact O-N 3Å; I702-I706 HydrophobicContact CG2-CD1 3.71Å; I702-I706 HydrophobicContact CG2-CG1 4.39Å; I702-I706 WeakPolarHBondContact O-CB 3.43Å; I702-I706 WeakPolarHBondContact O-CG1 3.33Å; I702-I706 PolarHBondContact O-N 3.08Å |
| 703 | F | 79 | Confident | 78.6 | Confident | 90 Ų | 90 | 43.6 Ų | 43.6 | 40% | 0.395 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.2 | -44.2 | 179.9 | -170.2 | -88.6 | 0 | 0 | 0 | 112.4 | F609 G699 K700 Q701 I706 Q707 | F609-F703 HydrophobicContact CD1-CD1 4.18Å; F609-F703 AromaticContact CD1-CE1 3.92Å; F609-F703 HydrophobicContact CD1-CE1 3.92Å; F609-F703 AromaticContact CE1-CD1 3.26Å; F609-F703 HydrophobicContact CE1-CD1 3.26Å; F609-F703 AromaticContact CE1-CE1 3.43Å; F609-F703 HydrophobicContact CE1-CE1 3.43Å; F609-F703 VanDerWaalsContact CE1-CE1 3.43Å; F609-F703 HydrophobicContact CE1-CG 4.13Å; F609-F703 HydrophobicContact CE1-CZ 4.42Å; F609-F703 HydrophobicContact CE2-CB 4.38Å; F609-F703 AromaticContact CE2-CD1 4Å; F609-F703 HydrophobicContact CE2-CD1 4Å; F609-F703 HydrophobicContact CE2-CE1 4.43Å; F609-F703 HydrophobicContact CE2-CG 4.06Å; F609-F703 HydrophobicContact CZ-CB 3.86Å; F609-F703 AromaticContact CZ-CD1 3.16Å; F609-F703 HydrophobicContact CZ-CD1 3.16Å; F609-F703 HydrophobicContact CZ-CD2 4.44Å; F609-F703 AromaticContact CZ-CE1 3.75Å; F609-F703 HydrophobicContact CZ-CE1 3.75Å; F609-F703 AromaticContact CZ-CG 3.56Å; F609-F703 HydrophobicContact CZ-CG 3.56Å; G699-F703 WeakPolarHBondContact O-CB 3.33Å; G699-F703 PolarHBondContact O-N 2.99Å; K700-F703 PolarHBondContact O-N 3.36Å; K700-F703 VanDerWaalsContact O-N 3.12Å; Q701-F703 VanDerWaalsContact C-N 3.32Å; Q701-F703 PolarHBondContact O-N 3.48Å; F703-I706 PolarHBondContact O-N 3.44Å; F703-Q707 WeakPolarHBondContact O-CB 3.37Å; F703-Q707 PolarHBondContact O-N 2.91Å |
| 704 | S | 74.7 | Confident | 77.5 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.7 | -50.5 | 173.1 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | K700 Q701 I706 Q707 E708 E787 | K700-S704 PolarHBondContact O-N 2.95Å; K700-S704 PolarHBondContact O-OG 2.76Å; Q701-S704 PolarHBondContact O-N 3.48Å; S704-I706 VanDerWaalsContact C-N 3.31Å; S704-I706 PolarHBondContact O-N 3.32Å; S704-Q707 PolarHBondContact O-N 2.71Å; S704-Q707 VanDerWaalsContact O-N 3.12Å; S704-E708 WeakPolarHBondContact O-CG 3.45Å; S704-E708 PolarHBondContact O-N 3.48Å; S704-E787 VanDerWaalsContact CB-OE1 3.29Å; S704-E787 WeakPolarHBondContact CB-OE1 2.99Å; S704-E787 PolarHBondContact OG-OE1 3.37Å; S704-E787 PolarHBondContact OG-OE2 3.37Å |
| 705 | F | 77.3 | Confident | 76.5 | Confident | 85 Ų | 85 | 48 Ų | 48 | 37% | 0.373 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.1 | -42.4 | 177.7 | 179.4 | -99.8 | 0 | 0 | 0 | 112.4 | Q701 I702 S709 | Q701-F705 WeakPolarHBondContact O-CB 3.44Å; Q701-F705 PolarHBondContact O-N 3Å; I702-F705 PolarHBondContact O-N 3Å; F705-S709 WeakPolarHBondContact O-CB 3.47Å; F705-S709 PolarHBondContact O-N 3.42Å |
| 706 | I | 77.4 | Confident | 75.2 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 35% | 0.354 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -61.9 | -49.3 | 175.8 | -71 | 166.5 | 0 | 0 | 0 | 110.2 | I702 F703 S704 E708 L710 M711 | I702-I706 HydrophobicContact CG2-CD1 3.71Å; I702-I706 HydrophobicContact CG2-CG1 4.39Å; I702-I706 WeakPolarHBondContact O-CB 3.43Å; I702-I706 WeakPolarHBondContact O-CG1 3.33Å; I702-I706 PolarHBondContact O-N 3.08Å; F703-I706 PolarHBondContact O-N 3.44Å; S704-I706 VanDerWaalsContact C-N 3.31Å; S704-I706 PolarHBondContact O-N 3.32Å; I706-E708 VanDerWaalsContact C-N 3.32Å; I706-E708 PolarHBondContact O-N 2.73Å; I706-L710 HydrophobicContact CG1-CD2 4.31Å; I706-L710 CarbonylContact O-C 3.19Å; I706-L710 WeakPolarHBondContact O-CB 3.3Å; I706-L710 PolarHBondContact O-N 3.38Å; I706-L710 VanDerWaalsContact O-N 3.12Å; I706-M711 WeakPolarHBondContact O-CB 3.33Å; I706-M711 PolarHBondContact O-N 3.37Å |
| 707 | Q | 74.1 | Confident | 74.3 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -61.9 | -39.4 | -177.9 | -174.1 | -179 | -43.6 | 0 | 0 | 112 | F703 S704 M711 | F703-Q707 WeakPolarHBondContact O-CB 3.37Å; F703-Q707 PolarHBondContact O-N 2.91Å; S704-Q707 PolarHBondContact O-N 2.71Å; S704-Q707 VanDerWaalsContact O-N 3.12Å; Q707-M711 HydrophobicContact CG-SD 4.33Å; Q707-M711 WeakPolarHBondContact O-CB 3.17Å |
| 708 | E | 70 | Confident | 73.5 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -89.9 | -42.5 | -172.9 | -62 | -155.3 | 153.1 | 0 | 0 | 114.1 | S704 I706 K823 | S704-E708 WeakPolarHBondContact O-CG 3.45Å; S704-E708 PolarHBondContact O-N 3.48Å; I706-E708 VanDerWaalsContact C-N 3.32Å; I706-E708 PolarHBondContact O-N 2.73Å; E708-K823 IonicContact OE1-NZ 3.82Å; E708-K823 PolarHBondContact OE1-NZ 3Å; E708-K823 IonicContact OE2-NZ 3.55Å |
| 709 | S | 69.4 | Low | 72.3 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -97.4 | -43.7 | -174.3 | -75.7 | 0 | 0 | 0 | 0 | 113.1 | Y368 F705 | Y368-S709 PolarHBondContact OH-OG 2.93Å; F705-S709 WeakPolarHBondContact O-CB 3.47Å; F705-S709 PolarHBondContact O-N 3.42Å |
| 710 | L | 69.7 | Low | 71.2 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | -91.9 | -39 | -168.7 | -170.6 | 61.2 | 0 | 0 | 0 | 112 | I706 V713 L714 | I706-L710 HydrophobicContact CG1-CD2 4.31Å; I706-L710 CarbonylContact O-C 3.19Å; I706-L710 WeakPolarHBondContact O-CB 3.3Å; I706-L710 PolarHBondContact O-N 3.38Å; I706-L710 VanDerWaalsContact O-N 3.12Å; L710-V713 PolarHBondContact O-N 3.3Å; L710-V713 VanDerWaalsContact O-N 3.07Å; L710-L714 HydrophobicContact CD1-CD1 4.25Å; L710-L714 HydrophobicContact CD1-CD2 4.26Å; L710-L714 HydrophobicContact CD1-CG 3.93Å; L710-L714 HydrophobicContact CD2-CD1 3.77Å; L710-L714 HydrophobicContact CD2-CG 4.38Å; L710-L714 HydrophobicContact CG-CD1 3.53Å; L710-L714 HydrophobicContact CG-CD2 4.44Å; L710-L714 HydrophobicContact CG-CG 3.69Å; L710-L714 WeakPolarHBondContact O-CG 3.38Å; L710-L714 PolarHBondContact O-N 3.42Å |
| 711 | M | 71.1 | Confident | 70.5 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | -174.7 | -169.8 | -173.5 | -159.9 | 0 | 0 | 112.5 | M132 I706 Q707 V713 L714 W715 | M132-M711 HydrophobicContact CE-CE 3.23Å; M132-M711 HydrophobicContact CE-CG 4.4Å; M132-M711 HydrophobicContact CE-SD 3.58Å; M132-M711 VanDerWaalsContact CE-SD 3.58Å; M132-M711 HydrophobicContact SD-CE 4.26Å; M132-M711 HydrophobicContact SD-SD 4.15Å; I706-M711 WeakPolarHBondContact O-CB 3.33Å; I706-M711 PolarHBondContact O-N 3.37Å; Q707-M711 HydrophobicContact CG-SD 4.33Å; Q707-M711 WeakPolarHBondContact O-CB 3.17Å; M711-V713 VanDerWaalsContact C-N 3.25Å; M711-V713 PolarHBondContact O-N 3.05Å; M711-L714 PolarHBondContact O-N 3.23Å; M711-W715 WeakPolarHBondContact O-CB 3.17Å; M711-W715 PolarHBondContact O-N 3.45Å |
| 712 | P | 65.6 | Low | 69.8 | Low | 23 Ų | 23 | 76.9 Ų | 76.9 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.6 | -37.2 | 174.6 | -29.1 | 39.1 | 0 | 0 | 0 | 113.7 | Y135 K716 | Y135-P712 HydrophobicContact CD1-CB 4.39Å; Y135-P712 HydrophobicContact CE1-CB 3.59Å; Y135-P712 HydrophobicContact CE1-CG 3.85Å; Y135-P712 WeakPolarHBondContact OH-CG 2.8Å; P712-K716 VanDerWaalsContact O-CB 3.3Å; P712-K716 WeakPolarHBondContact O-CB 3.34Å; P712-K716 PolarHBondContact O-N 2.97Å |
| 713 | V | 69.1 | Low | 68.7 | Low | 73 Ų | 73 | 74.9 Ų | 74.9 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -77.3 | -46.2 | -178.1 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | L710 M711 W715 K716 L717 | L710-V713 PolarHBondContact O-N 3.3Å; L710-V713 VanDerWaalsContact O-N 3.07Å; M711-V713 VanDerWaalsContact C-N 3.25Å; M711-V713 PolarHBondContact O-N 3.05Å; V713-W715 VanDerWaalsContact C-N 3.31Å; V713-W715 PolarHBondContact O-N 2.9Å; V713-K716 PolarHBondContact O-N 3.49Å; V713-L717 HydrophobicContact CG1-CD1 4.16Å; V713-L717 WeakPolarHBondContact O-CG 3.41Å; V713-L717 PolarHBondContact O-N 2.98Å |
| 714 | L | 68.9 | Low | 67.6 | Low | 89 Ų | 89 | 75.1 Ų | 75.1 | 47% | 0.466 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.4 | -72.4 | -179.6 | 0 | 0 | 0 | 111.2 | L710 M711 L717 F718 | L710-L714 HydrophobicContact CD1-CD1 4.25Å; L710-L714 HydrophobicContact CD1-CD2 4.26Å; L710-L714 HydrophobicContact CD1-CG 3.93Å; L710-L714 HydrophobicContact CD2-CD1 3.77Å; L710-L714 HydrophobicContact CD2-CG 4.38Å; L710-L714 HydrophobicContact CG-CD1 3.53Å; L710-L714 HydrophobicContact CG-CD2 4.44Å; L710-L714 HydrophobicContact CG-CG 3.69Å; L710-L714 WeakPolarHBondContact O-CG 3.38Å; L710-L714 PolarHBondContact O-N 3.42Å; M711-L714 PolarHBondContact O-N 3.23Å; L714-L717 PolarHBondContact O-N 3.36Å; L714-F718 WeakPolarHBondContact O-CB 3.43Å; L714-F718 PolarHBondContact O-N 3.08Å |
| 715 | W | 67.1 | Low | 66.9 | Low | 54 Ų | 54 | 82.1 Ų | 82.1 | 21% | 0.205 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 174.5 | -161.1 | -102.9 | 0 | 0 | 0 | 109.8 | R136 M711 V713 L717 F718 F719 | R136-W715 HydrophobicContact CB-CZ2 4.18Å; R136-W715 HydrophobicContact CG-CZ2 3.64Å; M711-W715 WeakPolarHBondContact O-CB 3.17Å; M711-W715 PolarHBondContact O-N 3.45Å; V713-W715 VanDerWaalsContact C-N 3.31Å; V713-W715 PolarHBondContact O-N 2.9Å; W715-L717 VanDerWaalsContact C-N 3.32Å; W715-L717 PolarHBondContact O-N 2.92Å; W715-F718 PolarHBondContact O-N 3.29Å; W715-F718 VanDerWaalsContact O-N 3.16Å; W715-F719 AromaticContact CD1-CD2 3.44Å; W715-F719 VanDerWaalsContact CD1-CD2 3.44Å; W715-F719 AromaticContact CD1-CE2 3.52Å; W715-F719 AromaticContact CD2-CD2 3.88Å; W715-F719 HydrophobicContact CD2-CD2 3.88Å; W715-F719 AromaticContact CD2-CE2 3.28Å; W715-F719 HydrophobicContact CD2-CE2 3.28Å; W715-F719 HydrophobicContact CD2-CZ 4.3Å; W715-F719 AromaticContact CE2-CD2 3.79Å; W715-F719 AromaticContact CE2-CE2 2.98Å; W715-F719 AromaticContact CE2-CZ 3.66Å; W715-F719 AromaticContact CE3-CE2 3.88Å; W715-F719 HydrophobicContact CE3-CE2 3.88Å; W715-F719 AromaticContact CG-CD2 3.72Å; W715-F719 HydrophobicContact CG-CD2 3.72Å; W715-F719 AromaticContact CG-CE2 3.65Å; W715-F719 HydrophobicContact CG-CE2 3.65Å; W715-F719 AromaticContact CH2-CE2 3.95Å; W715-F719 HydrophobicContact CH2-CE2 3.95Å; W715-F719 HydrophobicContact CH2-CZ 4.09Å; W715-F719 AromaticContact CZ2-CE2 3.39Å; W715-F719 HydrophobicContact CZ2-CE2 3.39Å; W715-F719 AromaticContact CZ2-CZ 3.57Å; W715-F719 HydrophobicContact CZ2-CZ 3.57Å; W715-F719 HydrophobicContact CZ3-CE2 4.17Å; W715-F719 AromaticContact NE1-CD2 3.5Å; W715-F719 AromaticContact NE1-CE2 3.15Å; W715-F719 AromaticContact NE1-CZ 3.92Å; W715-F719 WeakPolarHBondContact O-CD2 3.43Å; W715-F719 PolarHBondContact O-N 3.21Å |
| 716 | K | 60.4 | Low | 65.6 | Low | 81 Ų | 81 | 87.3 Ų | 87.3 | 35% | 0.352 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55.5 | -42.7 | 175.4 | -173.8 | 160.4 | -170.5 | 159.8 | 0 | 113.5 | A139 D142 P712 V713 K720 | A139-K716 HydrophobicContact CB-CB 3.93Å; A139-K716 HydrophobicContact CB-CG 4.11Å; D142-K716 IonicContact OD1-NZ 3.62Å; D142-K716 PolarHBondContact OD1-NZ 3.27Å; D142-K716 IonicContact OD2-NZ 3.5Å; D142-K716 PolarHBondContact OD2-NZ 3.15Å; P712-K716 VanDerWaalsContact O-CB 3.3Å; P712-K716 WeakPolarHBondContact O-CB 3.34Å; P712-K716 PolarHBondContact O-N 2.97Å; V713-K716 PolarHBondContact O-N 3.49Å; K716-K720 VanDerWaalsContact O-CB 3.32Å; K716-K720 WeakPolarHBondContact O-CB 3.44Å; K716-K720 PolarHBondContact O-N 3.29Å |
| 717 | L | 68.3 | Low | 64.2 | Low | 88 Ų | 88 | 87.9 Ų | 87.9 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.7 | -45.8 | 175.7 | -70.4 | 170.2 | 0 | 0 | 0 | 112.1 | V713 L714 W715 F719 K720 F721 | V713-L717 HydrophobicContact CG1-CD1 4.16Å; V713-L717 WeakPolarHBondContact O-CG 3.41Å; V713-L717 PolarHBondContact O-N 2.98Å; L714-L717 PolarHBondContact O-N 3.36Å; W715-L717 VanDerWaalsContact C-N 3.32Å; W715-L717 PolarHBondContact O-N 2.92Å; L717-F719 PolarHBondContact O-N 3.15Å; L717-K720 PolarHBondContact O-N 3.41Å; L717-F721 WeakPolarHBondContact O-CD2 3.45Å; L717-F721 PolarHBondContact O-N 3.22Å |
| 718 | F | 67.9 | Low | 63 | Low | 117 Ų | 117 | 86.9 Ų | 86.9 | 51% | 0.513 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 179.1 | 178.8 | -98 | 0 | 0 | 0 | 111.8 | L714 W715 F721 R722 | L714-F718 WeakPolarHBondContact O-CB 3.43Å; L714-F718 PolarHBondContact O-N 3.08Å; W715-F718 PolarHBondContact O-N 3.29Å; W715-F718 VanDerWaalsContact O-N 3.16Å; F718-F721 PolarHBondContact O-N 3.27Å; F718-R722 WeakPolarHBondContact O-CB 3.43Å; F718-R722 PolarHBondContact O-N 3.34Å |
| 719 | F | 59.7 | Low | 61.7 | Low | 24 Ų | 24 | 90.9 Ų | 90.9 | 11% | 0.105 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70 | -35.6 | 176.8 | -80 | -76.6 | 0 | 0 | 0 | 112.7 | R136 L140 W715 L717 R722 S723 | R136-F719 HydrophobicContact CG-CE1 3.99Å; R136-F719 HydrophobicContact CG-CE2 4.14Å; R136-F719 HydrophobicContact CG-CZ 3.67Å; L140-F719 HydrophobicContact CD1-CB 3.71Å; L140-F719 HydrophobicContact CD1-CD1 4.05Å; L140-F719 HydrophobicContact CD1-CG 4.09Å; L140-F719 HydrophobicContact CG-CB 4.26Å; W715-F719 AromaticContact CD1-CD2 3.44Å; W715-F719 VanDerWaalsContact CD1-CD2 3.44Å; W715-F719 AromaticContact CD1-CE2 3.52Å; W715-F719 AromaticContact CD2-CD2 3.88Å; W715-F719 HydrophobicContact CD2-CD2 3.88Å; W715-F719 AromaticContact CD2-CE2 3.28Å; W715-F719 HydrophobicContact CD2-CE2 3.28Å; W715-F719 HydrophobicContact CD2-CZ 4.3Å; W715-F719 AromaticContact CE2-CD2 3.79Å; W715-F719 AromaticContact CE2-CE2 2.98Å; W715-F719 AromaticContact CE2-CZ 3.66Å; W715-F719 AromaticContact CE3-CE2 3.88Å; W715-F719 HydrophobicContact CE3-CE2 3.88Å; W715-F719 AromaticContact CG-CD2 3.72Å; W715-F719 HydrophobicContact CG-CD2 3.72Å; W715-F719 AromaticContact CG-CE2 3.65Å; W715-F719 HydrophobicContact CG-CE2 3.65Å; W715-F719 AromaticContact CH2-CE2 3.95Å; W715-F719 HydrophobicContact CH2-CE2 3.95Å; W715-F719 HydrophobicContact CH2-CZ 4.09Å; W715-F719 AromaticContact CZ2-CE2 3.39Å; W715-F719 HydrophobicContact CZ2-CE2 3.39Å; W715-F719 AromaticContact CZ2-CZ 3.57Å; W715-F719 HydrophobicContact CZ2-CZ 3.57Å; W715-F719 HydrophobicContact CZ3-CE2 4.17Å; W715-F719 AromaticContact NE1-CD2 3.5Å; W715-F719 AromaticContact NE1-CE2 3.15Å; W715-F719 AromaticContact NE1-CZ 3.92Å; W715-F719 WeakPolarHBondContact O-CD2 3.43Å; W715-F719 PolarHBondContact O-N 3.21Å; L717-F719 PolarHBondContact O-N 3.15Å; F719-R722 PolarHBondContact O-N 2.62Å; F719-S723 WeakPolarHBondContact O-CB 3.26Å; F719-S723 PolarHBondContact O-N 3.01Å |
| 720 | K | 59.8 | Low | 60.3 | Low | 124 Ų | 124 | 98 Ų | 98 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 171.6 | -171.7 | -178.9 | 179.4 | -176.3 | 0 | 111.6 | K716 L717 S723 M724 | K716-K720 VanDerWaalsContact O-CB 3.32Å; K716-K720 WeakPolarHBondContact O-CB 3.44Å; K716-K720 PolarHBondContact O-N 3.29Å; L717-K720 PolarHBondContact O-N 3.41Å; K720-S723 PolarHBondContact O-N 3.13Å; K720-M724 HydrophobicContact CG-CE 4.29Å; K720-M724 WeakPolarHBondContact O-CG 3.3Å; K720-M724 PolarHBondContact O-N 3.41Å |
| 721 | F | 67.5 | Low | 59 | Low | 142 Ų | 142 | 97.4 Ų | 97.4 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.4 | -42.9 | 174 | -95.9 | -76.8 | 0 | 0 | 0 | 112.2 | L717 F718 M724 K725 | L717-F721 WeakPolarHBondContact O-CD2 3.45Å; L717-F721 PolarHBondContact O-N 3.22Å; F718-F721 PolarHBondContact O-N 3.27Å; F721-M724 HydrophobicContact CD1-CE 4Å; F721-M724 HydrophobicContact CE1-CE 4.28Å; F721-M724 HydrophobicContact CG-CE 4.16Å; F721-M724 PolarHBondContact O-N 3.42Å; F721-K725 WeakPolarHBondContact O-CB 3.48Å; F721-K725 PolarHBondContact O-N 3.46Å |
| 722 | R | 67.3 | Low | 57.7 | Low | 158 Ų | 158 | 101 Ų | 101 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.5 | -37.9 | 176.6 | -167.7 | 177.2 | 174 | 125.1 | -0.6 | 112.1 | F718 F719 R726 | F718-R722 WeakPolarHBondContact O-CB 3.43Å; F718-R722 PolarHBondContact O-N 3.34Å; F719-R722 PolarHBondContact O-N 2.62Å; R722-R726 PolarHBondContact O-N 3.46Å; R722-R726 VanDerWaalsContact O-N 3.11Å |
| 723 | S | 59 | Low | 56.6 | Low | 51 Ų | 51 | 107.6 Ų | 107.6 | 36% | 0.357 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 175.1 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | F719 K720 K725 R726 S727 | F719-S723 WeakPolarHBondContact O-CB 3.26Å; F719-S723 PolarHBondContact O-N 3.01Å; K720-S723 PolarHBondContact O-N 3.13Å; S723-K725 VanDerWaalsContact C-N 3.33Å; S723-K725 PolarHBondContact O-N 3.31Å; S723-R726 PolarHBondContact O-N 2.97Å; S723-R726 VanDerWaalsContact O-N 3.07Å; S723-S727 PolarHBondContact O-N 3.18Å |
| 724 | M | 56.5 | Low | 55.5 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 176.1 | -72.4 | -175.2 | -59.1 | 0 | 0 | 111.9 | K720 F721 R726 S727 S728 | K720-M724 HydrophobicContact CG-CE 4.29Å; K720-M724 WeakPolarHBondContact O-CG 3.3Å; K720-M724 PolarHBondContact O-N 3.41Å; F721-M724 HydrophobicContact CD1-CE 4Å; F721-M724 HydrophobicContact CE1-CE 4.28Å; F721-M724 HydrophobicContact CG-CE 4.16Å; F721-M724 PolarHBondContact O-N 3.42Å; M724-R726 VanDerWaalsContact C-N 3.26Å; M724-R726 PolarHBondContact O-N 2.92Å; M724-S727 PolarHBondContact O-N 2.9Å; M724-S728 PolarHBondContact O-N 3.49Å |
| 725 | K | 58.6 | Low | 54.3 | Low | 160 Ų | 160 | 112.7 Ų | 112.7 | 70% | 0.696 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -31.6 | 176 | -158.6 | 170.8 | -175.6 | 176.2 | 0 | 112.2 | F721 S723 | F721-K725 WeakPolarHBondContact O-CB 3.48Å; F721-K725 PolarHBondContact O-N 3.46Å; S723-K725 VanDerWaalsContact C-N 3.33Å; S723-K725 PolarHBondContact O-N 3.31Å |
| 726 | R | 50.9 | Low | 53.1 | Low | 195 Ų | 195 | 118 Ų | 118 | 74% | 0.736 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.2 | -34.3 | 175.2 | -142.1 | 174.3 | -171.8 | 168.7 | 0.5 | 112.5 | R722 S723 M724 Y730 | R722-R726 PolarHBondContact O-N 3.46Å; R722-R726 VanDerWaalsContact O-N 3.11Å; S723-R726 PolarHBondContact O-N 2.97Å; S723-R726 VanDerWaalsContact O-N 3.07Å; M724-R726 VanDerWaalsContact C-N 3.26Å; M724-R726 PolarHBondContact O-N 2.92Å; R726-Y730 PolarHBondContact O-N 3.28Å |
| 727 | S | 48.5 | Very low | 52.2 | Low | 81 Ų | 81 | 121.7 Ų | 121.7 | 57% | 0.566 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.5 | -34.6 | 174.5 | -162.7 | 0 | 0 | 0 | 0 | 112.7 | S723 M724 Y730 A731 | S723-S727 PolarHBondContact O-N 3.18Å; M724-S727 PolarHBondContact O-N 2.9Å; S727-Y730 PolarHBondContact O-N 3.41Å; S727-A731 PolarHBondContact O-N 3.18Å; S727-A731 VanDerWaalsContact O-N 3.09Å |
| 728 | S | 47.5 | Very low | 50.9 | Low | 76 Ų | 76 | 125.1 Ų | 125.1 | 53% | 0.531 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.2 | -40.5 | 174.4 | -165.6 | 0 | 0 | 0 | 0 | 111.9 | M724 Y730 A731 | M724-S728 PolarHBondContact O-N 3.49Å; S728-Y730 VanDerWaalsContact C-N 3.26Å; S728-Y730 PolarHBondContact O-N 2.94Å; S728-A731 PolarHBondContact O-N 3.48Å |
| 729 | N | 44.2 | Very low | 49.3 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 64% | 0.642 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.6 | -16.1 | 177.7 | -73.6 | 2 | 0 | 0 | 0 | 113.7 | ||
| 730 | Y | 38 | Very low | 48.3 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 66% | 0.659 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -95.1 | -23.4 | 177.5 | -150.2 | -96.8 | 0 | 0 | 0 | 112.5 | R726 S727 S728 H733 | R726-Y730 PolarHBondContact O-N 3.28Å; S727-Y730 PolarHBondContact O-N 3.41Å; S728-Y730 VanDerWaalsContact C-N 3.26Å; S728-Y730 PolarHBondContact O-N 2.94Å; Y730-H733 PolarHBondContact O-N 3.3Å |
| 731 | A | 43.2 | Very low | 47 | Very low | 60 Ų | 60 | 132.1 Ų | 132.1 | 50% | 0.496 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -70.8 | -32.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S727 S728 H733 | S727-A731 PolarHBondContact O-N 3.18Å; S727-A731 VanDerWaalsContact O-N 3.09Å; S728-A731 PolarHBondContact O-N 3.48Å; A731-H733 VanDerWaalsContact C-N 3.3Å; A731-H733 PolarHBondContact O-N 3.47Å |
| 732 | D | 43.3 | Very low | 45.3 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -24.6 | 175.9 | -92.9 | -16.7 | 0 | 0 | 0 | 113.2 | ||
| 733 | H | 43.5 | Very low | 43.7 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.745 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -14.9 | -174.4 | -139.4 | -59.7 | 0 | 0 | 0 | 114.2 | Y730 A731 | Y730-H733 PolarHBondContact O-N 3.3Å; A731-H733 VanDerWaalsContact C-N 3.3Å; A731-H733 PolarHBondContact O-N 3.47Å |
| 734 | N | 45.8 | Very low | 42.4 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 56% | 0.561 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -104 | 1.1 | -177.5 | -89.7 | -8.4 | 0 | 0 | 0 | 114.5 | N736 | N734-N736 PolarHBondContact O-N 3.16Š|
| 735 | H | 43.3 | Very low | 41.3 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -7.8 | -179.5 | -123.8 | -70.6 | 0 | 0 | 0 | 114.3 | ||
| 736 | N | 42.7 | Very low | 39.9 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 9.6 | -175.7 | -83.8 | -6.7 | 0 | 0 | 0 | 115.7 | N734 | N734-N736 PolarHBondContact O-N 3.16Š|
| 737 | M | 41.7 | Very low | 38.9 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -120.1 | -5.4 | -171.3 | -112.1 | -100.1 | 163 | 0 | 0 | 116.9 | ||
| 738 | N | 39.4 | Very low | 38.1 | Very low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | -127.3 | 72.5 | -177.6 | -68.2 | -19.5 | 0 | 0 | 0 | 112.6 | ||||
| 739 | S | 35.1 | Very low | 37.3 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -114.4 | 92.4 | 158.2 | 61.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 740 | I | 38.3 | Very low | 36.6 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -161.8 | 109.5 | 153.5 | -85.9 | 131.7 | 0 | 0 | 0 | 107 | ||||
| 741 | N | 31.8 | Very low | 36.3 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 1 | 134.1 | 159.4 | -55.5 | -22.6 | 0 | 0 | 0 | 119.5 | ||||
| 742 | F | 33.7 | Very low | 35.9 | Very low | 210 Ų | 210 | 143.7 Ų | 143.7 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | -166.1 | 137.3 | 117.8 | -111.3 | -81.1 | 0 | 0 | 0 | 111.1 | |||||
| 743 | N | 33.2 | Very low | 35.4 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -74.6 | 141.4 | -161.3 | -67.9 | -25.3 | 0 | 0 | 0 | 116.6 | ||||
| 744 | E | 30.9 | Very low | 34.9 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | 36.7 | 113.7 | 125.2 | -152.3 | 167.7 | -155.7 | 0 | 0 | 121.2 | |||||
| 745 | S | 33 | Very low | 34.4 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | 152.2 | 102.7 | 121.9 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 746 | N | 29.5 | Very low | 34.1 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 158.4 | 115.1 | 145.9 | -82.7 | -28.7 | 0 | 0 | 0 | 110.6 | V748 | N746-V748 PolarHBondContact O-N 3.1Š| ||
| 747 | P | 31 | Very low | 33.7 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -95 | 92.2 | -175.3 | 35.4 | -29.2 | 0 | 0 | 0 | 111.5 | ||||
| 748 | V | 31.9 | Very low | 33.4 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | -145.2 | 83 | 157.5 | -174 | 0 | 0 | 0 | 0 | 107.9 | N746 | N746-V748 PolarHBondContact O-N 3.1Š| ||
| 749 | T | 29.7 | Very low | 33.4 | Very low | 106 Ų | 106 | 133 Ų | 133 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | -126.4 | 83.2 | -178.2 | -19.3 | 0 | 0 | 0 | 0 | 110.5 | L752 | T749-L752 HydrophobicContact CG2-CD1 4.11Š| ||
| 750 | T | 29.6 | Very low | 33.9 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 92% | 0.92 | 73% | 0.73 | S | S | * | * | trans | -133.3 | 51.4 | 157.9 | -36.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 751 | S | 32.3 | Very low | 34.5 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | -156.6 | 78.7 | 174.3 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 752 | L | 34.4 | Very low | 35.7 | Very low | 148 Ų | 148 | 121.4 Ų | 121.4 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -134.3 | 70.9 | 166.1 | -81.3 | 165.1 | 0 | 0 | 0 | 108.9 | T749 | T749-L752 HydrophobicContact CG2-CD1 4.11Š| ||
| 753 | L | 32.1 | Very low | 37.5 | Very low | 163 Ų | 163 | 114.3 Ų | 114.3 | 85% | 0.853 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -81.7 | 124.5 | 137.5 | -81.3 | 169.1 | 0 | 0 | 0 | 105 | A755 | L753-A755 PolarHBondContact O-N 3.07Š|
| 754 | P | 33.2 | Very low | 39.6 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | trans | -55.1 | 128.4 | -169.7 | -21.4 | 29.4 | 0 | 0 | 0 | 111.3 | K756 Y757 | P754-K756 PolarHBondContact O-N 3.45Å; P754-Y757 HydrophobicContact CB-CD2 4.42Å; P754-Y757 PolarHBondContact O-N 3.27Å | ||
| 755 | A | 35.8 | Very low | 41.9 | Very low | 83 Ų | 83 | 99.6 Ų | 99.6 | 69% | 0.686 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 0.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L753 Y757 S758 | L753-A755 PolarHBondContact O-N 3.07Å; A755-Y757 VanDerWaalsContact C-N 3.31Å; A755-S758 PolarHBondContact O-OG 3.36Å |
| 756 | K | 35.8 | Very low | 44.3 | Very low | 181 Ų | 181 | 94.7 Ų | 94.7 | 79% | 0.787 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -12 | 175.9 | -153 | 171.4 | -175.9 | 177.5 | 0 | 113.7 | P754 | P754-K756 PolarHBondContact O-N 3.45Š|
| 757 | Y | 35.4 | Very low | 47 | Very low | 127 Ų | 127 | 87.4 Ų | 87.4 | 50% | 0.498 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -108.9 | -3.5 | 179.5 | -62.8 | -77.9 | 0 | 0 | 0 | 114.1 | P754 A755 S759 | P754-Y757 HydrophobicContact CB-CD2 4.42Å; P754-Y757 PolarHBondContact O-N 3.27Å; A755-Y757 VanDerWaalsContact C-N 3.31Å; Y757-S759 VanDerWaalsContact C-N 3.32Å; Y757-S759 PolarHBondContact O-N 3.44Å |
| 758 | S | 35.2 | Very low | 49.5 | Very low | 98 Ų | 98 | 82.2 Ų | 82.2 | 69% | 0.685 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.7 | -178.1 | 47.9 | 0 | 0 | 0 | 0 | 114.3 | A755 | A755-S758 PolarHBondContact O-OG 3.36Š|
| 759 | S | 39.3 | Very low | 51.8 | Low | 104 Ų | 104 | 76.3 Ų | 76.3 | 73% | 0.727 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -4.7 | 178 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | Y757 S761 | Y757-S759 VanDerWaalsContact C-N 3.32Å; Y757-S759 PolarHBondContact O-N 3.44Å; S759-S761 PolarHBondContact O-N 2.87Å |
| 760 | L | 45.9 | Very low | 54.4 | Low | 57 Ų | 57 | 71.3 Ų | 71.3 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -79.5 | 90.7 | 177.5 | -146 | 80 | 0 | 0 | 0 | 109.2 | N67 M147 P149 G762 | N67-L760 WeakPolarHBondContact OD1-CD1 3.46Å; M147-L760 WeakPolarHBondContact O-CD2 3.39Å; P149-L760 HydrophobicContact CB-CD1 4.4Å; P149-L760 HydrophobicContact CB-CD2 4.49Å; L760-G762 PolarHBondContact O-N 2.89Å; L760-G762 VanDerWaalsContact O-N 3.16Å |
| 761 | S | 49.9 | Very low | 57 | Low | 70 Ų | 70 | 65.1 Ų | 65.1 | 49% | 0.49 | 38% | 0.379 | S | S | . | . | trans | -30 | 111.6 | 174.2 | 170.6 | 0 | 0 | 0 | 0 | 112.6 | N67 S759 R763 | N67-S761 VanDerWaalsContact O-CB 3.22Å; N67-S761 WeakPolarHBondContact O-CB 3.34Å; N67-S761 PolarHBondContact O-OG 3.24Å; S759-S761 PolarHBondContact O-N 2.87Å; S761-R763 PolarHBondContact O-N 3.22Å | ||
| 762 | G | 57.9 | Low | 59.1 | Low | 41 Ų | 41 | 62.4 Ų | 62.4 | 42% | 0.423 | 36% | 0.357 | S | S | . | . | trans | -75.7 | 38.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | L760 | L760-G762 PolarHBondContact O-N 2.89Å; L760-G762 VanDerWaalsContact O-N 3.16Å | ||
| 763 | R | 71.3 | Confident | 61.3 | Low | 62 Ų | 62 | 56.5 Ų | 56.5 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | trans | -104 | 151.4 | 176.2 | -169.6 | 174.1 | 174.7 | 99.3 | 8.9 | 110.2 | R22 E64 S761 | R22-R763 VanDerWaalsContact CA-NH2 3.26Å; R22-R763 VanDerWaalsContact CG-CZ 3.44Å; R22-R763 VanDerWaalsContact N-NH2 3.13Å; E64-R763 IonicContact OE1-CZ 3.39Å; E64-R763 IonicContact OE1-NE 3.03Å; E64-R763 PolarHBondContact OE1-NE 3.23Å; E64-R763 IonicContact OE1-NH2 2.89Å; E64-R763 PolarHBondContact OE1-NH2 2.9Å; E64-R763 IonicContact OE2-NE 3.62Å; E64-R763 PolarHBondContact OE2-NE 3.02Å; S761-R763 PolarHBondContact O-N 3.22Å | ||
| 764 | N | 77.9 | Confident | 63.5 | Low | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 72.5 | 19.4 | -178.6 | -58.5 | -34.1 | 0 | 0 | 0 | 115.1 | E18 E64 D65 F154 K156 L766 C767 R768 | E18-N764 PolarHBondContact OE1-N 3.42Å; E64-N764 WeakPolarHBondContact CB-ND2 3.37Å; E64-N764 VanDerWaalsContact OE2-CG 3.27Å; E64-N764 PolarHBondContact OE2-ND2 2.96Å; E64-N764 PolarHBondContact OE2-OD1 2.96Å; D65-N764 PolarHBondContact O-ND2 3.42Å; D65-N764 VanDerWaalsContact O-ND2 3.13Å; F154-N764 HydrophobicContact CD2-CB 3.95Å; F154-N764 HydrophobicContact CE2-CB 4.2Å; K156-N764 WeakPolarHBondContact CE-OD1 3.4Å; K156-N764 PolarHBondContact NZ-OD1 3.21Å; N764-L766 VanDerWaalsContact C-N 3.32Å; N764-L766 PolarHBondContact O-N 3.43Å; N764-C767 HydrophobicContact CB-CB 4.3Å; N764-C767 PolarHBondContact O-N 3.27Å; N764-R768 WeakPolarHBondContact O-CB 3.06Å; N764-R768 PolarHBondContact O-N 3.14Å |
| 765 | I | 78.8 | Confident | 65.7 | Low | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -35 | 178.1 | -160.4 | 155.9 | 0 | 0 | 0 | 111.4 | E18 L146 L328 I331 R768 A769 | E18-I765 VanDerWaalsContact CD-CG2 3.5Å; E18-I765 WeakPolarHBondContact OE1-CG2 3.46Å; E18-I765 PolarHBondContact OE1-N 3.32Å; E18-I765 WeakPolarHBondContact OE2-CG2 3.26Å; L146-I765 HydrophobicContact CB-CD1 4.31Å; L146-I765 HydrophobicContact CB-CG1 4.43Å; L146-I765 HydrophobicContact CD2-CG1 3.99Å; L328-I765 HydrophobicContact CD1-CG1 4.16Å; L328-I765 HydrophobicContact CD1-CG2 4.01Å; I331-I765 HydrophobicContact CG2-CD1 4.2Å; I765-R768 PolarHBondContact O-N 3.23Å; I765-A769 VanDerWaalsContact O-CB 3.3Å; I765-A769 WeakPolarHBondContact O-CB 3.45Å; I765-A769 PolarHBondContact O-N 3.47Å |
| 766 | L | 83.7 | Confident | 67.8 | Low | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -46 | 173 | -177.6 | 64.4 | 0 | 0 | 0 | 112.5 | E18 L19 H322 L328 N764 R768 A769 D770 | E18-L766 HydrophobicContact CB-CB 4.18Å; E18-L766 HydrophobicContact CB-CD2 4.38Å; E18-L766 WeakPolarHBondContact OE2-CB 3.37Å; E18-L766 PolarHBondContact OE2-N 2.88Å; L19-L766 HydrophobicContact CD2-CD2 3.54Å; L19-L766 HydrophobicContact CG-CD2 3.93Å; H322-L766 WeakPolarHBondContact O-CD2 3.29Å; L328-L766 HydrophobicContact CD2-CB 4.3Å; L328-L766 HydrophobicContact CD2-CD1 3.54Å; N764-L766 VanDerWaalsContact C-N 3.32Å; N764-L766 PolarHBondContact O-N 3.43Å; L766-R768 VanDerWaalsContact C-N 3.28Å; L766-R768 PolarHBondContact O-N 3.2Å; L766-A769 PolarHBondContact O-N 3.21Å; L766-D770 PolarHBondContact O-N 3.01Å |
| 767 | C | 85.6 | Confident | 69.9 | Low | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 176.8 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | F154 Y319 N764 F771 | F154-C767 HydrophobicContact CD1-CB 3.8Å; F154-C767 HydrophobicContact CD2-CB 4.14Å; F154-C767 HydrophobicContact CE1-CB 3.88Å; F154-C767 HydrophobicContact CE2-CB 4.21Å; F154-C767 HydrophobicContact CG-CB 3.93Å; F154-C767 HydrophobicContact CZ-CB 4.09Å; Y319-C767 PolarHBondContact OH-O 2.85Å; N764-C767 HydrophobicContact CB-CB 4.3Å; N764-C767 PolarHBondContact O-N 3.27Å; C767-F771 WeakPolarHBondContact O-CB 3.39Å; C767-F771 PolarHBondContact O-N 3.39Å |
| 768 | R | 83.3 | Confident | 71.9 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 175.9 | -175.2 | 175.5 | -68.5 | 155.4 | 6.5 | 112.4 | S66 L146 T148 F154 N764 I765 L766 F771 N772 | S66-R768 VanDerWaalsContact CB-NH2 3.26Å; S66-R768 PolarHBondContact O-NH2 3.4Å; L146-R768 VanDerWaalsContact O-CD 3.25Å; L146-R768 WeakPolarHBondContact O-CD 3.36Å; L146-R768 PolarHBondContact O-NH1 3.36Å; T148-R768 PolarHBondContact O-NH1 3.45Å; F154-R768 HydrophobicContact CZ-CB 4.14Å; N764-R768 WeakPolarHBondContact O-CB 3.06Å; N764-R768 PolarHBondContact O-N 3.14Å; I765-R768 PolarHBondContact O-N 3.23Å; L766-R768 VanDerWaalsContact C-N 3.28Å; L766-R768 PolarHBondContact O-N 3.2Å; R768-F771 PolarHBondContact O-N 2.95Å; R768-N772 WeakPolarHBondContact O-CB 3.45Å; R768-N772 PolarHBondContact O-N 3.45Å; R768-N772 PolarHBondContact O-ND2 3.45Å |
| 769 | A | 80.2 | Confident | 74.2 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L146 L328 I765 L766 N772 M773 | L146-A769 HydrophobicContact CD2-CB 3.84Å; L328-A769 HydrophobicContact CD2-CB 4.22Å; I765-A769 VanDerWaalsContact O-CB 3.3Å; I765-A769 WeakPolarHBondContact O-CB 3.45Å; I765-A769 PolarHBondContact O-N 3.47Å; L766-A769 PolarHBondContact O-N 3.21Å; A769-N772 CarbonylContact O-C 3.56Å; A769-N772 PolarHBondContact O-N 3.45Å; A769-M773 PolarHBondContact O-N 3.46Å |
| 770 | D | 85.3 | Confident | 76.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.1 | -34.3 | 178.1 | -75 | -0.8 | 0 | 0 | 0 | 112.1 | Y319 L321 H322 R358 L766 N772 M773 R829 | Y319-D770 HydrophobicContact CD2-CB 4.17Å; Y319-D770 HydrophobicContact CE2-CB 3.64Å; L321-D770 HydrophobicContact CD2-CB 4.48Å; H322-D770 WeakPolarHBondContact CB-OD2 3.33Å; H322-D770 IonicContact CD2-OD1 3.57Å; H322-D770 IonicContact CD2-OD2 2.74Å; H322-D770 PolarHBondContact N-OD2 2.96Å; R358-D770 IonicContact NH1-OD1 3.37Å; L766-D770 PolarHBondContact O-N 3.01Å; D770-N772 PolarHBondContact O-N 2.8Å; D770-M773 WeakPolarHBondContact O-CB 3.4Å; D770-M773 PolarHBondContact O-N 3.48Å; D770-M773 WeakPolarHBondContact OD1-CE 3.32Å; D770-R829 VanDerWaalsContact O-CG 3.3Å; D770-R829 WeakPolarHBondContact O-CG 3.46Å; D770-R829 PolarHBondContact O-NE 2.68Å |
| 771 | F | 84.2 | Confident | 78.5 | Confident | 20 Ų | 20 | 31.1 Ų | 31.1 | 9% | 0.088 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57 | -37.9 | 170.7 | -174.4 | -103.7 | 0 | 0 | 0 | 111.3 | A33 L152 F154 A317 Y319 C767 R768 M773 R829 | A33-F771 HydrophobicContact CB-CD2 3.6Å; A33-F771 HydrophobicContact CB-CE2 3.69Å; L152-F771 HydrophobicContact CD1-CD1 4.04Å; L152-F771 HydrophobicContact CD1-CE1 4.07Å; L152-F771 HydrophobicContact CD2-CD1 4.43Å; L152-F771 HydrophobicContact CD2-CE1 3.86Å; L152-F771 HydrophobicContact CD2-CE2 4.43Å; L152-F771 HydrophobicContact CD2-CZ 3.85Å; F154-F771 HydrophobicContact CE1-CB 4.28Å; A317-F771 HydrophobicContact CB-CD2 4.13Å; A317-F771 HydrophobicContact CB-CE2 3.9Å; Y319-F771 HydrophobicContact CE1-CD2 4.13Å; Y319-F771 WeakPolarHBondContact OH-CA 3.4Å; Y319-F771 VanDerWaalsContact OH-CB 3.29Å; Y319-F771 WeakPolarHBondContact OH-CB 3.46Å; Y319-F771 PolarHBondContact OH-N 3.01Å; C767-F771 WeakPolarHBondContact O-CB 3.39Å; C767-F771 PolarHBondContact O-N 3.39Å; R768-F771 PolarHBondContact O-N 2.95Å; F771-M773 VanDerWaalsContact C-N 3.25Å; F771-M773 PolarHBondContact O-N 3.45Å; F771-R829 PolarHBondContact O-NH2 3.26Å |
| 772 | N | 76.6 | Confident | 80.5 | Confident | 39 Ų | 39 | 28.4 Ų | 28.4 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 12.9 | 176.9 | -67.1 | -24.5 | 0 | 0 | 0 | 113.5 | Q138 I145 R768 A769 D770 | Q138-N772 PolarHBondContact NE2-O 3.36Å; Q138-N772 PolarHBondContact OE1-O 3.03Å; I145-N772 WeakPolarHBondContact CG2-ND2 3Å; R768-N772 WeakPolarHBondContact O-CB 3.45Å; R768-N772 PolarHBondContact O-N 3.45Å; R768-N772 PolarHBondContact O-ND2 3.45Å; A769-N772 CarbonylContact O-C 3.56Å; A769-N772 PolarHBondContact O-N 3.45Å; D770-N772 PolarHBondContact O-N 2.8Å |
| 773 | M | 79.4 | Confident | 81.8 | Confident | 25 Ų | 25 | 30.2 Ų | 30.2 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -91.2 | 162.5 | 165.6 | -66.5 | 179.5 | -160.6 | 0 | 0 | 110.6 | R358 A769 D770 F771 R829 | R358-M773 VanDerWaalsContact NH2-CE 3.26Å; A769-M773 PolarHBondContact O-N 3.46Å; D770-M773 WeakPolarHBondContact O-CB 3.4Å; D770-M773 PolarHBondContact O-N 3.48Å; D770-M773 WeakPolarHBondContact OD1-CE 3.32Å; F771-M773 VanDerWaalsContact C-N 3.25Å; F771-M773 PolarHBondContact O-N 3.45Å; M773-R829 HydrophobicContact CB-CG 3.71Å; M773-R829 PolarHBondContact O-NE 2.85Å |
| 774 | L | 78.7 | Confident | 82.8 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 139.3 | 179 | -63.9 | 150.8 | 0 | 0 | 0 | 110.1 | Y135 P776 Q827 Y828 R829 | Y135-L774 HydrophobicContact CD2-CD1 3.87Å; Y135-L774 HydrophobicContact CD2-CD2 3.68Å; Y135-L774 HydrophobicContact CD2-CG 4.37Å; Y135-L774 HydrophobicContact CE1-CD1 4.25Å; Y135-L774 HydrophobicContact CE2-CD1 3.11Å; Y135-L774 HydrophobicContact CE2-CD2 3.86Å; Y135-L774 HydrophobicContact CE2-CG 4.06Å; Y135-L774 HydrophobicContact CG-CD2 4.37Å; Y135-L774 WeakPolarHBondContact OH-CD1 3.37Å; L774-P776 WeakPolarHBondContact O-CD 3.39Å; L774-Q827 HydrophobicContact CD1-CB 4.22Å; L774-Q827 PolarHBondContact N-O 3.31Å; L774-Y828 HydrophobicContact CB-CD1 3.87Å; L774-Y828 HydrophobicContact CB-CE1 4.18Å; L774-Y828 HydrophobicContact CD1-CD1 4.19Å; L774-Y828 HydrophobicContact CD1-CE1 4.17Å; L774-Y828 WeakPolarHBondContact O-CA 3.25Å; L774-R829 PolarHBondContact O-N 3.03Å |
| 775 | D | 80 | Confident | 83.5 | Confident | 91 Ų | 91 | 28.3 Ų | 28.3 | 49% | 0.487 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -72.8 | 120.8 | 169 | -170.5 | -12.8 | 0 | 0 | 0 | 108.8 | G777 | D775-G777 PolarHBondContact O-N 2.98Å; D775-G777 PolarHBondContact OD1-N 3.18Å |
| 776 | P | 79 | Confident | 84.1 | Confident | 21 Ų | 21 | 28 Ų | 28 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | trans | -72 | -7.9 | 179.4 | 36.1 | -41.6 | 0 | 0 | 0 | 112.6 | L774 P780 Y828 P831 | L774-P776 WeakPolarHBondContact O-CD 3.39Å; P776-P780 HydrophobicContact CB-CB 3.85Å; P776-Y828 HydrophobicContact CB-CD2 3.68Å; P776-Y828 HydrophobicContact CB-CE2 4.11Å; P776-Y828 HydrophobicContact CB-CG 3.97Å; P776-P831 HydrophobicContact CG-CB 4.09Å | ||
| 777 | G | 81.1 | Confident | 84.4 | Confident | 42 Ų | 42 | 29 Ų | 29 | 43% | 0.433 | 17% | 0.168 | S | C | . | . | trans | 80.4 | -175.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D775 R779 | D775-G777 PolarHBondContact O-N 2.98Å; D775-G777 PolarHBondContact OD1-N 3.18Å; G777-R779 VanDerWaalsContact C-N 3.33Å; G777-R779 PolarHBondContact O-N 3.45Å | ||
| 778 | S | 77.5 | Confident | 84.6 | Confident | 99 Ų | 99 | 29 Ų | 29 | 69% | 0.692 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -71.5 | -24 | -176.1 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 779 | R | 83.3 | Confident | 85.1 | Confident | 55 Ų | 55 | 28.4 Ų | 28.4 | 21% | 0.208 | 17% | 0.166 | C | C | . | . | trans | -133.1 | 68 | -175.4 | -60.5 | -178.2 | -61.7 | 145.9 | 2.7 | 111.5 | D635 L638 G777 L781 F782 | D635-R779 VanDerWaalsContact OD1-CD 3.28Å; D635-R779 WeakPolarHBondContact OD1-CD 3.43Å; L638-R779 VanDerWaalsContact CD2-NH2 3.33Å; G777-R779 VanDerWaalsContact C-N 3.33Å; G777-R779 PolarHBondContact O-N 3.45Å; R779-L781 VanDerWaalsContact C-N 3.26Å; R779-L781 PolarHBondContact O-N 3.2Å; R779-F782 HydrophobicContact CB-CB 3.96Å; R779-F782 PolarHBondContact O-N 3.46Å | ||
| 780 | P | 85.6 | Confident | 85.7 | Confident | 14 Ų | 14 | 27.7 Ų | 27.7 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -22.7 | -168.3 | 30.1 | -38.9 | 0 | 0 | 0 | 114.2 | P776 P831 L833 | P776-P780 HydrophobicContact CB-CB 3.85Å; P780-P831 HydrophobicContact CG-CB 4.2Å; P780-L833 HydrophobicContact CG-CD1 4.26Å; P780-L833 HydrophobicContact CG-CD2 3.66Å; P780-L833 HydrophobicContact CG-CG 4.34Å |
| 781 | L | 90 | Very high | 86 | Confident | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -6.9 | -179.4 | -61.8 | 176.2 | 0 | 0 | 0 | 113.8 | A387 V388 Y391 R779 E784 Y785 L833 | A387-L781 HydrophobicContact CB-CD1 4.3Å; V388-L781 HydrophobicContact CG2-CD1 4.48Å; Y391-L781 HydrophobicContact CD1-CD2 4.43Å; Y391-L781 HydrophobicContact CG-CD2 4.25Å; R779-L781 VanDerWaalsContact C-N 3.26Å; R779-L781 PolarHBondContact O-N 3.2Å; L781-E784 PolarHBondContact O-N 3.21Å; L781-Y785 HydrophobicContact CB-CD2 4.03Å; L781-Y785 HydrophobicContact CB-CE2 4.03Å; L781-Y785 HydrophobicContact CD1-CE2 4.38Å; L781-Y785 VanDerWaalsContact O-CD2 3.29Å; L781-Y785 WeakPolarHBondContact O-CD2 3.43Å; L781-Y785 PolarHBondContact O-N 3.48Å; L781-L833 HydrophobicContact CD1-CD1 3.66Å; L781-L833 HydrophobicContact CG-CD1 4.1Å |
| 782 | F | 90.5 | Very high | 86.5 | Confident | 13 Ų | 13 | 27 Ų | 27 | 6% | 0.057 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.1 | -49.6 | -172 | 167.3 | -98.6 | 0 | 0 | 0 | 112.3 | T639 L642 R779 E784 Y785 L786 W842 | T639-F782 HydrophobicContact CG2-CD2 4.22Å; T639-F782 HydrophobicContact CG2-CE2 3.92Å; L642-F782 HydrophobicContact CB-CE1 4.46Å; L642-F782 HydrophobicContact CB-CE2 4.38Å; L642-F782 HydrophobicContact CB-CZ 3.61Å; L642-F782 HydrophobicContact CD1-CE1 3.57Å; L642-F782 HydrophobicContact CD1-CE2 4.21Å; L642-F782 HydrophobicContact CD1-CZ 3.35Å; L642-F782 HydrophobicContact CG-CZ 4.11Å; R779-F782 HydrophobicContact CB-CB 3.96Å; R779-F782 PolarHBondContact O-N 3.46Å; F782-E784 VanDerWaalsContact C-N 3.29Å; F782-E784 PolarHBondContact O-N 3.38Å; F782-Y785 PolarHBondContact O-N 3.31Å; F782-L786 HydrophobicContact CE1-CD2 3.78Å; F782-L786 HydrophobicContact CZ-CD2 3.69Å; F782-L786 VanDerWaalsContact O-CB 3.28Å; F782-L786 WeakPolarHBondContact O-CB 3.44Å; F782-L786 PolarHBondContact O-N 2.94Å; F782-W842 HydrophobicContact CD2-CH2 4.31Å; F782-W842 AromaticContact CD2-CZ2 3.83Å; F782-W842 HydrophobicContact CD2-CZ2 3.83Å; F782-W842 HydrophobicContact CE2-CH2 4.05Å; F782-W842 HydrophobicContact CE2-CZ2 4.03Å |
| 783 | N | 86.6 | Confident | 87.3 | Confident | 79 Ų | 79 | 25.1 Ų | 25.1 | 42% | 0.422 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.6 | -38 | 179.5 | -71.5 | -33 | 0 | 0 | 0 | 111.5 | L786 E787 | N783-L786 PolarHBondContact O-N 3.46Å; N783-E787 PolarHBondContact O-N 3.27Å |
| 784 | E | 90.7 | Very high | 87.9 | Confident | 11 Ų | 11 | 24.2 Ų | 24.2 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67 | -43.1 | -178.1 | -37.6 | -56.4 | 179.1 | 0 | 0 | 111.5 | Y391 L781 F782 M788 K823 | Y391-E784 HydrophobicContact CD2-CB 4.33Å; Y391-E784 HydrophobicContact CE1-CB 4.25Å; Y391-E784 HydrophobicContact CE2-CB 3.51Å; Y391-E784 VanDerWaalsContact CZ-CB 3.48Å; Y391-E784 WeakPolarHBondContact OH-CB 3.33Å; L781-E784 PolarHBondContact O-N 3.21Å; F782-E784 VanDerWaalsContact C-N 3.29Å; F782-E784 PolarHBondContact O-N 3.38Å; E784-M788 VanDerWaalsContact O-CG 3.28Å; E784-M788 WeakPolarHBondContact O-CG 3.36Å; E784-M788 PolarHBondContact O-N 3.39Å; E784-K823 WeakPolarHBondContact OE1-CE 3.36Å; E784-K823 IonicContact OE1-NZ 3.84Å; E784-K823 PolarHBondContact OE1-NZ 2.92Å; E784-K823 IonicContact OE2-NZ 2.88Å; E784-K823 PolarHBondContact OE2-NZ 2.81Å |
| 785 | Y | 93.4 | Very high | 88.6 | Confident | 13 Ų | 13 | 23.7 Ų | 23.7 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 173.2 | -81.8 | -67.6 | 0 | 0 | 0 | 111.8 | Y391 L781 F782 E787 M788 M789 I839 W842 | Y391-Y785 VanDerWaalsContact CA-OH 3.24Å; Y391-Y785 WeakPolarHBondContact CA-OH 3.46Å; Y391-Y785 WeakPolarHBondContact CB-OH 3.3Å; Y391-Y785 AromaticContact CD2-CD1 3.89Å; Y391-Y785 HydrophobicContact CD2-CD1 3.89Å; Y391-Y785 HydrophobicContact CD2-CD2 4.07Å; Y391-Y785 AromaticContact CD2-CE1 3.71Å; Y391-Y785 HydrophobicContact CD2-CE1 3.71Å; Y391-Y785 AromaticContact CD2-CE2 3.89Å; Y391-Y785 HydrophobicContact CD2-CE2 3.89Å; Y391-Y785 HydrophobicContact CD2-CG 4.07Å; Y391-Y785 AromaticContact CD2-CZ 3.71Å; Y391-Y785 HydrophobicContact CE2-CD1 4.34Å; Y391-Y785 HydrophobicContact CE2-CG 4.44Å; Y391-Y785 HydrophobicContact CG-CE2 4.48Å; Y391-Y785 PolarHBondContact N-OH 3.28Å; L781-Y785 HydrophobicContact CB-CD2 4.03Å; L781-Y785 HydrophobicContact CB-CE2 4.03Å; L781-Y785 HydrophobicContact CD1-CE2 4.38Å; L781-Y785 VanDerWaalsContact O-CD2 3.29Å; L781-Y785 WeakPolarHBondContact O-CD2 3.43Å; L781-Y785 PolarHBondContact O-N 3.48Å; F782-Y785 PolarHBondContact O-N 3.31Å; Y785-E787 VanDerWaalsContact C-N 3.34Å; Y785-E787 PolarHBondContact O-N 2.92Å; Y785-M788 PolarHBondContact O-N 3Å; Y785-M789 HydrophobicContact CD1-CE 4.18Å; Y785-M789 VanDerWaalsContact O-CG 3.3Å; Y785-M789 WeakPolarHBondContact O-CG 3.4Å; Y785-M789 PolarHBondContact O-N 3.44Å; Y785-I839 HydrophobicContact CE1-CB 4.27Å; Y785-I839 HydrophobicContact CE1-CG2 4.14Å; Y785-I839 WeakPolarHBondContact OH-CG2 2.83Å; Y785-W842 HydrophobicContact CD1-CG 4.3Å; Y785-W842 AromaticContact CD2-CD1 3.8Å; Y785-W842 AromaticContact CD2-NE1 3.53Å; Y785-W842 AromaticContact CG-CD1 3.69Å; Y785-W842 HydrophobicContact CG-CD2 4.32Å; Y785-W842 AromaticContact CG-CE2 3.94Å; Y785-W842 HydrophobicContact CG-CG 4.19Å; Y785-W842 AromaticContact CG-NE1 3.55Å |
| 786 | L | 91.6 | Very high | 89.2 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | -178.3 | -179.9 | 60.8 | 0 | 0 | 0 | 112.1 | Y643 Q646 F782 N783 M788 M789 I790 W842 | Y643-L786 HydrophobicContact CD2-CD1 3.9Å; Q646-L786 VanDerWaalsContact CD-CD2 3.44Å; Q646-L786 VanDerWaalsContact NE2-CD2 3.28Å; F782-L786 HydrophobicContact CE1-CD2 3.78Å; F782-L786 HydrophobicContact CZ-CD2 3.69Å; F782-L786 VanDerWaalsContact O-CB 3.28Å; F782-L786 WeakPolarHBondContact O-CB 3.44Å; F782-L786 PolarHBondContact O-N 2.94Å; N783-L786 PolarHBondContact O-N 3.46Å; L786-M788 VanDerWaalsContact C-N 3.33Å; L786-M788 PolarHBondContact O-N 2.88Å; L786-M789 PolarHBondContact O-N 3.1Å; L786-I790 WeakPolarHBondContact O-CG1 3.48Å; L786-I790 PolarHBondContact O-N 3.49Å; L786-I790 VanDerWaalsContact O-N 3.11Å; L786-W842 HydrophobicContact CB-CH2 3.92Å; L786-W842 HydrophobicContact CD1-CH2 4.2Å |
| 787 | E | 89 | Confident | 89.9 | Confident | 21 Ų | 21 | 18.4 Ų | 18.4 | 10% | 0.098 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 176.9 | -178.1 | 147.6 | -166.5 | 0 | 0 | 111.8 | S704 N783 Y785 I790 Q791 | S704-E787 VanDerWaalsContact CB-OE1 3.29Å; S704-E787 WeakPolarHBondContact CB-OE1 2.99Å; S704-E787 PolarHBondContact OG-OE1 3.37Å; S704-E787 PolarHBondContact OG-OE2 3.37Å; N783-E787 PolarHBondContact O-N 3.27Å; Y785-E787 VanDerWaalsContact C-N 3.34Å; Y785-E787 PolarHBondContact O-N 2.92Å; E787-I790 PolarHBondContact O-N 2.9Å; E787-Q791 PolarHBondContact O-N 2.95Å |
| 788 | M | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.6 | -35.3 | -179.7 | -63.3 | -64 | 102 | 0 | 0 | 113.5 | W394 L395 E784 Y785 L786 Q791 Y792 E816 | W394-M788 HydrophobicContact CH2-CB 3.64Å; W394-M788 HydrophobicContact CZ3-CB 3.42Å; W394-M788 VanDerWaalsContact CZ3-CB 3.42Å; W394-M788 HydrophobicContact CZ3-CG 3.89Å; L395-M788 HydrophobicContact CD1-CG 4.07Å; L395-M788 HydrophobicContact CD1-SD 3.39Å; L395-M788 WeakPolarHBondContact CD1-SD 3.34Å; E784-M788 VanDerWaalsContact O-CG 3.28Å; E784-M788 WeakPolarHBondContact O-CG 3.36Å; E784-M788 PolarHBondContact O-N 3.39Å; Y785-M788 PolarHBondContact O-N 3Å; L786-M788 VanDerWaalsContact C-N 3.33Å; L786-M788 PolarHBondContact O-N 2.88Å; M788-Q791 PolarHBondContact O-N 3.2Å; M788-Y792 WeakPolarHBondContact O-CB 3.32Å; M788-Y792 PolarHBondContact O-N 2.96Å; M788-E816 HydrophobicContact CE-CG 3.75Å; M788-E816 WeakPolarHBondContact CE-OE1 3.4Å; M788-E816 HydrophobicContact SD-CG 4.32Å |
| 789 | M | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 174.5 | -68.4 | -49.2 | 125.3 | 0 | 0 | 111.8 | W394 Y643 Y785 L786 Y792 G793 W842 I846 | W394-M789 HydrophobicContact CH2-CE 3.57Å; W394-M789 HydrophobicContact CZ2-CE 3.42Å; W394-M789 VanDerWaalsContact CZ2-CE 3.42Å; W394-M789 HydrophobicContact CZ2-SD 4.41Å; W394-M789 HydrophobicContact CZ3-CE 4.18Å; Y643-M789 HydrophobicContact CE2-CB 4.09Å; Y785-M789 HydrophobicContact CD1-CE 4.18Å; Y785-M789 VanDerWaalsContact O-CG 3.3Å; Y785-M789 WeakPolarHBondContact O-CG 3.4Å; Y785-M789 PolarHBondContact O-N 3.44Å; L786-M789 PolarHBondContact O-N 3.1Å; M789-Y792 PolarHBondContact O-N 3.36Å; M789-G793 PolarHBondContact O-N 3.08Å; M789-W842 HydrophobicContact CB-CZ3 4.38Å; M789-W842 HydrophobicContact CG-CD2 4.39Å; M789-W842 HydrophobicContact CG-CE3 3.48Å; M789-W842 VanDerWaalsContact CG-CE3 3.48Å; M789-W842 HydrophobicContact CG-CZ3 3.71Å; M789-W842 HydrophobicContact SD-CE3 4.44Å; M789-I846 HydrophobicContact CE-CD1 3.94Å; M789-I846 HydrophobicContact CE-CG1 4.27Å; M789-I846 HydrophobicContact SD-CD1 3.76Å; M789-I846 HydrophobicContact SD-CG1 3.4Å; M789-I846 WeakPolarHBondContact SD-CG1 3.42Å |
| 790 | I | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 175.5 | -66.2 | -64.9 | 0 | 0 | 0 | 110.7 | Y643 Y650 Y651 L786 E787 G793 F794 | Y643-I790 HydrophobicContact CE2-CD1 4.33Å; Y650-I790 HydrophobicContact CD2-CD1 4.13Å; Y650-I790 HydrophobicContact CD2-CG1 4.37Å; Y650-I790 HydrophobicContact CD2-CG2 4.15Å; Y650-I790 HydrophobicContact CE2-CG2 4.49Å; Y650-I790 HydrophobicContact CG-CG2 4.19Å; Y651-I790 HydrophobicContact CE2-CD1 4.07Å; Y651-I790 WeakPolarHBondContact OH-CA 3.18Å; Y651-I790 PolarHBondContact OH-O 2.93Å; L786-I790 WeakPolarHBondContact O-CG1 3.48Å; L786-I790 PolarHBondContact O-N 3.49Å; L786-I790 VanDerWaalsContact O-N 3.11Å; E787-I790 PolarHBondContact O-N 2.9Å; I790-G793 PolarHBondContact O-N 2.93Å; I790-F794 HydrophobicContact CG2-CD2 3.92Å; I790-F794 HydrophobicContact CG2-CE2 3.43Å; I790-F794 VanDerWaalsContact CG2-CE2 3.43Å; I790-F794 HydrophobicContact CG2-CZ 4.24Å; I790-F794 VanDerWaalsContact O-CD2 3.22Å; I790-F794 WeakPolarHBondContact O-CD2 3.32Å; I790-F794 PolarHBondContact O-N 2.9Å; I790-F794 VanDerWaalsContact O-N 3.07Å |
| 791 | Q | 92.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 8.6 Ų | 8.6 | 3% | 0.033 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 174 | -178.8 | -177.9 | -36.6 | 0 | 0 | 112.4 | E787 M788 G793 F794 I795 G809 N812 N813 | E787-Q791 PolarHBondContact O-N 2.95Å; M788-Q791 PolarHBondContact O-N 3.2Å; Q791-G793 VanDerWaalsContact C-N 3.25Å; Q791-G793 PolarHBondContact O-N 3.4Å; Q791-F794 PolarHBondContact O-N 3.11Å; Q791-I795 HydrophobicContact CG-CD1 3.78Å; Q791-I795 WeakPolarHBondContact O-CG1 3.41Å; Q791-I795 PolarHBondContact O-N 2.84Å; Q791-G809 PolarHBondContact NE2-O 3.16Å; Q791-G809 VanDerWaalsContact NE2-O 3.08Å; Q791-N812 PolarHBondContact OE1-ND2 2.91Å; Q791-N813 PolarHBondContact NE2-OD1 2.98Å; Q791-N813 PolarHBondContact OE1-OD1 2.99Å |
| 792 | Y | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.3 | -40.7 | 176.4 | 179.9 | -88.5 | 0 | 0 | 0 | 111.5 | Y398 W480 A481 F484 M788 M789 I795 T796 I846 L849 | Y398-Y792 HydrophobicContact CD2-CD2 4.33Å; Y398-Y792 AromaticContact CE2-CD2 3.69Å; Y398-Y792 HydrophobicContact CE2-CD2 3.69Å; Y398-Y792 HydrophobicContact CE2-CE2 4.43Å; W480-Y792 HydrophobicContact CH2-CE2 4.24Å; W480-Y792 HydrophobicContact CZ3-CE2 4.03Å; A481-Y792 PolarHBondContact O-OH 3.37Å; F484-Y792 AromaticContact CD1-CE2 3.64Å; F484-Y792 HydrophobicContact CD1-CE2 3.64Å; F484-Y792 HydrophobicContact CE1-CD2 4.21Å; F484-Y792 AromaticContact CE1-CE2 3.63Å; F484-Y792 HydrophobicContact CE1-CE2 3.63Å; M788-Y792 WeakPolarHBondContact O-CB 3.32Å; M788-Y792 PolarHBondContact O-N 2.96Å; M789-Y792 PolarHBondContact O-N 3.36Å; Y792-I795 PolarHBondContact O-N 3.11Å; Y792-T796 HydrophobicContact CD1-CG2 4.21Å; Y792-T796 HydrophobicContact CD2-CG2 4.38Å; Y792-T796 HydrophobicContact CE1-CG2 3.82Å; Y792-T796 HydrophobicContact CE2-CG2 3.96Å; Y792-T796 WeakPolarHBondContact O-CB 3.15Å; Y792-T796 WeakPolarHBondContact O-CG2 3.48Å; Y792-T796 PolarHBondContact O-N 3.04Å; Y792-T796 PolarHBondContact O-OG1 2.96Å; Y792-I846 HydrophobicContact CE1-CG2 4.21Å; Y792-L849 HydrophobicContact CD1-CD2 3.58Å; Y792-L849 HydrophobicContact CD1-CG 4.1Å; Y792-L849 HydrophobicContact CE1-CD2 4.25Å; Y792-L849 HydrophobicContact CE1-CG 4.35Å |
| 793 | G | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y651 M789 I790 Q791 I795 T796 M797 | Y651-G793 WeakPolarHBondContact OH-CA 3.24Å; M789-G793 PolarHBondContact O-N 3.08Å; I790-G793 PolarHBondContact O-N 2.93Å; Q791-G793 VanDerWaalsContact C-N 3.25Å; Q791-G793 PolarHBondContact O-N 3.4Å; G793-I795 VanDerWaalsContact C-N 3.3Å; G793-I795 PolarHBondContact O-N 3.27Å; G793-T796 PolarHBondContact O-N 2.89Å; G793-T796 PolarHBondContact O-OG1 3.23Å; G793-M797 VanDerWaalsContact C-CE 3.49Å; G793-M797 WeakPolarHBondContact O-CB 3.25Å; G793-M797 WeakPolarHBondContact O-CE 3.08Å; G793-M797 PolarHBondContact O-N 3.09Å |
| 794 | F | 92.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 5.1 Ų | 5.1 | 3% | 0.026 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -56.2 | -44.4 | 174.7 | -75.2 | -56.2 | 0 | 0 | 0 | 112.6 | Y650 Y651 I654 L693 I696 I790 Q791 F798 | Y650-F794 HydrophobicContact CD1-CE2 4.48Å; Y650-F794 HydrophobicContact CD1-CZ 4.14Å; Y650-F794 HydrophobicContact CG-CZ 4.47Å; Y651-F794 HydrophobicContact CD1-CD1 4.16Å; Y651-F794 AromaticContact CD1-CE1 3.76Å; Y651-F794 HydrophobicContact CD1-CE1 3.76Å; Y651-F794 HydrophobicContact CD1-CZ 4.34Å; Y651-F794 AromaticContact CE1-CD1 3.63Å; Y651-F794 HydrophobicContact CE1-CD1 3.63Å; Y651-F794 HydrophobicContact CE1-CD2 4.45Å; Y651-F794 AromaticContact CE1-CE1 3.52Å; Y651-F794 HydrophobicContact CE1-CE1 3.52Å; Y651-F794 HydrophobicContact CE1-CE2 4.4Å; Y651-F794 HydrophobicContact CE1-CG 4.09Å; Y651-F794 AromaticContact CE1-CZ 3.94Å; Y651-F794 HydrophobicContact CE1-CZ 3.94Å; I654-F794 HydrophobicContact CD1-CD1 4.21Å; I654-F794 HydrophobicContact CD1-CE1 3.48Å; I654-F794 VanDerWaalsContact CD1-CE1 3.48Å; I654-F794 HydrophobicContact CD1-CZ 4.44Å; L693-F794 HydrophobicContact CD2-CD1 4.11Å; I696-F794 HydrophobicContact CG2-CE1 4.27Å; I696-F794 HydrophobicContact CG2-CE2 4.33Å; I696-F794 HydrophobicContact CG2-CZ 3.66Å; I790-F794 HydrophobicContact CG2-CD2 3.92Å; I790-F794 HydrophobicContact CG2-CE2 3.43Å; I790-F794 VanDerWaalsContact CG2-CE2 3.43Å; I790-F794 HydrophobicContact CG2-CZ 4.24Å; I790-F794 VanDerWaalsContact O-CD2 3.22Å; I790-F794 WeakPolarHBondContact O-CD2 3.32Å; I790-F794 PolarHBondContact O-N 2.9Å; I790-F794 VanDerWaalsContact O-N 3.07Å; Q791-F794 PolarHBondContact O-N 3.11Å; F794-F798 HydrophobicContact CD1-CD2 4.23Å; F794-F798 HydrophobicContact CD1-CE2 4.39Å; F794-F798 PolarHBondContact O-N 3.32Å |
| 795 | I | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -74.9 | -22.2 | -176.7 | -68.5 | 169 | 0 | 0 | 0 | 112.8 | Y398 L402 M477 M697 Q791 Y792 G793 V799 A805 P806 | Y398-I795 WeakPolarHBondContact OH-CD1 3.3Å; L402-I795 HydrophobicContact CD2-CD1 4.36Å; L402-I795 HydrophobicContact CD2-CG2 4.04Å; M477-I795 HydrophobicContact CE-CG2 4.1Å; M697-I795 HydrophobicContact CE-CD1 4.47Å; M697-I795 HydrophobicContact CE-CG1 4.44Å; Q791-I795 HydrophobicContact CG-CD1 3.78Å; Q791-I795 WeakPolarHBondContact O-CG1 3.41Å; Q791-I795 PolarHBondContact O-N 2.84Å; Y792-I795 PolarHBondContact O-N 3.11Å; G793-I795 VanDerWaalsContact C-N 3.3Å; G793-I795 PolarHBondContact O-N 3.27Å; I795-V799 WeakPolarHBondContact O-CG2 3.3Å; I795-A805 HydrophobicContact CG1-CB 4.43Å; I795-P806 HydrophobicContact CG2-CB 4.37Å; I795-P806 HydrophobicContact CG2-CG 4.12Å |
| 796 | T | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 4.1 Ų | 4.1 | 1% | 0.006 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -100.6 | -33.9 | -178.1 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | W480 A481 Y792 G793 N857 | W480-T796 HydrophobicContact CE3-CG2 4.44Å; W480-T796 HydrophobicContact CZ3-CG2 3.9Å; A481-T796 HydrophobicContact CB-CG2 4.01Å; Y792-T796 HydrophobicContact CD1-CG2 4.21Å; Y792-T796 HydrophobicContact CD2-CG2 4.38Å; Y792-T796 HydrophobicContact CE1-CG2 3.82Å; Y792-T796 HydrophobicContact CE2-CG2 3.96Å; Y792-T796 WeakPolarHBondContact O-CB 3.15Å; Y792-T796 WeakPolarHBondContact O-CG2 3.48Å; Y792-T796 PolarHBondContact O-N 3.04Å; Y792-T796 PolarHBondContact O-OG1 2.96Å; G793-T796 PolarHBondContact O-N 2.89Å; G793-T796 PolarHBondContact O-OG1 3.23Å; T796-N857 PolarHBondContact O-ND2 3.08Å; T796-N857 PolarHBondContact O-OD1 3.4Å |
| 797 | M | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -84.9 | -27.1 | -176.9 | -74.9 | -178.8 | -80.3 | 0 | 0 | 114.5 | F647 Y651 F655 G793 L849 I852 A853 T856 N857 I860 | F647-M797 HydrophobicContact CE2-CE 4.19Å; F647-M797 HydrophobicContact CE2-SD 4.5Å; Y651-M797 HydrophobicContact CD1-CE 4.29Å; Y651-M797 HydrophobicContact CD2-CE 4.32Å; Y651-M797 HydrophobicContact CE1-CE 3.83Å; Y651-M797 HydrophobicContact CE2-CE 3.9Å; F655-M797 HydrophobicContact CZ-SD 4.16Å; G793-M797 VanDerWaalsContact C-CE 3.49Å; G793-M797 WeakPolarHBondContact O-CB 3.25Å; G793-M797 WeakPolarHBondContact O-CE 3.08Å; G793-M797 PolarHBondContact O-N 3.09Å; M797-L849 HydrophobicContact CE-CD1 3.34Å; M797-L849 HydrophobicContact CE-CG 4.42Å; M797-L849 HydrophobicContact SD-CD1 4.08Å; M797-I852 HydrophobicContact CG-CG2 4.36Å; M797-I852 HydrophobicContact SD-CB 4.45Å; M797-I852 HydrophobicContact SD-CG2 3.6Å; M797-A853 HydrophobicContact CG-CB 3.97Å; M797-T856 HydrophobicContact CB-CG2 4.07Å; M797-T856 VanDerWaalsContact O-CG2 3.23Å; M797-T856 WeakPolarHBondContact O-CG2 3.35Å; M797-N857 PolarHBondContact O-OD1 3.14Å; M797-N857 VanDerWaalsContact O-OD1 3.13Å; M797-I860 WeakPolarHBondContact O-CD1 3.27Å |
| 798 | F | 92.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 8.4 Ų | 8.4 | 1% | 0.009 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -124.7 | 21 | -168.1 | -54.1 | -73.4 | 0 | 0 | 0 | 114.3 | Y651 I654 F655 L693 F794 A801 F802 T856 I860 | Y651-F798 AromaticContact CD1-CE2 3.67Å; Y651-F798 HydrophobicContact CD1-CE2 3.67Å; Y651-F798 HydrophobicContact CD1-CZ 4.21Å; Y651-F798 HydrophobicContact CE1-CE2 4.03Å; I654-F798 HydrophobicContact CB-CE1 4.33Å; I654-F798 HydrophobicContact CB-CZ 4.24Å; I654-F798 HydrophobicContact CG2-CD1 3.57Å; I654-F798 HydrophobicContact CG2-CD2 4.35Å; I654-F798 HydrophobicContact CG2-CE1 3.24Å; I654-F798 HydrophobicContact CG2-CE2 4.07Å; I654-F798 HydrophobicContact CG2-CG 4.13Å; I654-F798 HydrophobicContact CG2-CZ 3.51Å; F655-F798 HydrophobicContact CD1-CE1 4.08Å; F655-F798 HydrophobicContact CD1-CZ 4.07Å; F655-F798 AromaticContact CE1-CE1 3.87Å; F655-F798 HydrophobicContact CE1-CE1 3.87Å; F655-F798 AromaticContact CE1-CZ 3.63Å; F655-F798 HydrophobicContact CE1-CZ 3.63Å; F655-F798 HydrophobicContact CZ-CZ 4.06Å; L693-F798 HydrophobicContact CD1-CB 3.7Å; L693-F798 HydrophobicContact CD1-CG 4.35Å; L693-F798 HydrophobicContact CD2-CB 3.88Å; L693-F798 HydrophobicContact CD2-CD2 3.99Å; L693-F798 HydrophobicContact CD2-CG 3.91Å; L693-F798 HydrophobicContact CG-CB 4.47Å; F794-F798 HydrophobicContact CD1-CD2 4.23Å; F794-F798 HydrophobicContact CD1-CE2 4.39Å; F794-F798 PolarHBondContact O-N 3.32Å; F798-A801 PolarHBondContact O-N 3.25Å; F798-F802 PolarHBondContact O-N 3.06Å; F798-T856 HydrophobicContact CD1-CG2 4.41Å; F798-T856 HydrophobicContact CE1-CG2 4.02Å; F798-I860 HydrophobicContact CD1-CD1 3.65Å; F798-I860 HydrophobicContact CE1-CD1 4.25Å |
| 799 | V | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -56.1 | -42.8 | 177.2 | -176 | 0 | 0 | 0 | 0 | 113.7 | F473 M477 I795 A801 F802 | F473-V799 HydrophobicContact CD1-CG1 3.28Å; F473-V799 HydrophobicContact CE1-CG1 3.18Å; F473-V799 HydrophobicContact CG-CG1 4.33Å; F473-V799 HydrophobicContact CZ-CG1 4.17Å; M477-V799 HydrophobicContact CB-CG2 4.11Å; M477-V799 HydrophobicContact CE-CG2 3.9Å; M477-V799 HydrophobicContact CG-CB 4.34Å; M477-V799 HydrophobicContact CG-CG1 3.94Å; M477-V799 HydrophobicContact CG-CG2 3.92Å; I795-V799 WeakPolarHBondContact O-CG2 3.3Å; V799-A801 PolarHBondContact O-N 2.71Å; V799-F802 CarbonylContact O-C 3.5Å; V799-F802 PolarHBondContact O-N 2.86Å |
| 800 | P | 88.5 | Confident | 91.8 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 2% | 0.019 | 5% | 0.046 | C | C | . | . | G | 310 helix | trans | -59.1 | -26.2 | -177.1 | -20.8 | 29.6 | 0 | 0 | 0 | 113 | T470 A474 N857 I860 I861 | T470-P800 HydrophobicContact CG2-CB 4.49Å; T470-P800 VanDerWaalsContact CG2-O 3.3Å; T470-P800 WeakPolarHBondContact CG2-O 3.31Å; A474-P800 HydrophobicContact CB-CG 3.82Å; P800-N857 WeakPolarHBondContact CD-OD1 3.46Å; P800-N857 HydrophobicContact CG-CB 4.4Å; P800-I860 HydrophobicContact CB-CG2 3.84Å; P800-I860 HydrophobicContact CG-CB 4.48Å; P800-I860 HydrophobicContact CG-CG2 4.19Å; P800-I861 HydrophobicContact CB-CG1 4.2Å; P800-I861 HydrophobicContact CG-CD1 4.5Å; P800-I861 HydrophobicContact CG-CG1 4.17Å |
| 801 | A | 88.3 | Confident | 91.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -85.7 | -20.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L686 L689 F690 L693 F798 V799 | L686-A801 HydrophobicContact CD1-CB 3.88Å; L689-A801 HydrophobicContact CD2-CB 3.73Å; L689-A801 HydrophobicContact CG-CB 4.13Å; F690-A801 WeakPolarHBondContact CD2-O 3.49Å; L693-A801 HydrophobicContact CD1-CB 3.8Å; F798-A801 PolarHBondContact O-N 3.25Å; V799-A801 PolarHBondContact O-N 2.71Å |
| 802 | F | 88 | Confident | 91.6 | Very high | 11 Ų | 11 | 13.5 Ų | 13.5 | 5% | 0.048 | 7% | 0.068 | C | C | . | . | trans | -151.9 | 87.8 | -178.2 | -173.7 | -144.8 | 0 | 0 | 0 | 113.1 | F690 V694 F798 V799 L804 A805 F808 | F690-F802 HydrophobicContact CD2-CB 4.3Å; F690-F802 AromaticContact CD2-CD2 3.83Å; F690-F802 HydrophobicContact CD2-CD2 3.83Å; F690-F802 HydrophobicContact CD2-CE2 4.41Å; F690-F802 HydrophobicContact CD2-CG 4.29Å; F690-F802 AromaticContact CE2-CD2 3.43Å; F690-F802 HydrophobicContact CE2-CD2 3.43Å; F690-F802 VanDerWaalsContact CE2-CD2 3.43Å; F690-F802 AromaticContact CE2-CE2 3.61Å; F690-F802 HydrophobicContact CE2-CE2 3.61Å; F690-F802 HydrophobicContact CE2-CG 4.28Å; F690-F802 HydrophobicContact CZ-CE2 4.48Å; V694-F802 HydrophobicContact CG2-CE1 4.2Å; V694-F802 HydrophobicContact CG2-CE2 4.29Å; V694-F802 HydrophobicContact CG2-CZ 3.97Å; F798-F802 PolarHBondContact O-N 3.06Å; V799-F802 CarbonylContact O-C 3.5Å; V799-F802 PolarHBondContact O-N 2.86Å; F802-L804 HydrophobicContact CD2-CB 4.13Å; F802-L804 HydrophobicContact CE2-CB 3.61Å; F802-L804 HydrophobicContact CE2-CD1 4.41Å; F802-L804 HydrophobicContact CE2-CG 4.43Å; F802-L804 HydrophobicContact CZ-CB 3.92Å; F802-L804 PolarHBondContact O-N 3.34Å; F802-L804 VanDerWaalsContact O-N 3.12Å; F802-A805 HydrophobicContact CB-CB 4.38Å; F802-A805 HydrophobicContact CD1-CB 3.49Å; F802-A805 VanDerWaalsContact CD1-CB 3.49Å; F802-A805 HydrophobicContact CE1-CB 4.16Å; F802-A805 HydrophobicContact CG-CB 4.17Å; F802-A805 VanDerWaalsContact O-CB 3.28Å; F802-A805 WeakPolarHBondContact O-CB 3.46Å; F802-A805 PolarHBondContact O-N 3.29Å; F802-F808 AromaticContact CE1-CD2 3.56Å; F802-F808 HydrophobicContact CE1-CD2 3.56Å; F802-F808 AromaticContact CE1-CE2 3.95Å; F802-F808 HydrophobicContact CE1-CE2 3.95Å; F802-F808 HydrophobicContact CE2-CD2 4.5Å; F802-F808 HydrophobicContact CE2-CE2 4.14Å; F802-F808 AromaticContact CZ-CD2 3.38Å; F802-F808 HydrophobicContact CZ-CD2 3.38Å; F802-F808 AromaticContact CZ-CE2 3.25Å; F802-F808 HydrophobicContact CZ-CE2 3.25Å; F802-F808 HydrophobicContact CZ-CZ 4.33Å | ||
| 803 | P | 89.4 | Confident | 91.6 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.1 | -179.5 | -26.5 | 34.3 | 0 | 0 | 0 | 114.5 | V412 V465 T470 F473 P806 | V412-P803 HydrophobicContact CG1-CB 4.36Å; V465-P803 HydrophobicContact CG1-CG 4.22Å; T470-P803 HydrophobicContact CG2-CG 3.99Å; F473-P803 HydrophobicContact CD1-CB 4.24Å; F473-P803 HydrophobicContact CE1-CB 4.26Å; P803-P806 VanDerWaalsContact O-CD 3.28Å; P803-P806 WeakPolarHBondContact O-CD 3.43Å |
| 804 | L | 90.9 | Very high | 91.5 | Very high | 27 Ų | 27 | 14.7 Ų | 14.7 | 14% | 0.141 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.1 | 177.7 | -62.1 | 174.9 | 0 | 0 | 0 | 113.5 | I410 F413 F802 P806 L807 F808 | I410-L804 HydrophobicContact CG1-CD2 4.19Å; F413-L804 HydrophobicContact CB-CD2 3.92Å; F413-L804 HydrophobicContact CB-CG 4.28Å; F413-L804 HydrophobicContact CD1-CD1 4.17Å; F413-L804 HydrophobicContact CD1-CD2 4.35Å; F413-L804 HydrophobicContact CD2-CD1 3.84Å; F413-L804 HydrophobicContact CD2-CD2 4.44Å; F413-L804 HydrophobicContact CD2-CG 3.96Å; F413-L804 HydrophobicContact CE1-CD1 4.16Å; F413-L804 HydrophobicContact CE2-CD1 3.83Å; F413-L804 HydrophobicContact CE2-CG 4.42Å; F413-L804 HydrophobicContact CG-CD1 4Å; F413-L804 HydrophobicContact CG-CD2 3.99Å; F413-L804 HydrophobicContact CG-CG 4.02Å; F413-L804 HydrophobicContact CZ-CD1 3.98Å; F802-L804 HydrophobicContact CD2-CB 4.13Å; F802-L804 HydrophobicContact CE2-CB 3.61Å; F802-L804 HydrophobicContact CE2-CD1 4.41Å; F802-L804 HydrophobicContact CE2-CG 4.43Å; F802-L804 HydrophobicContact CZ-CB 3.92Å; F802-L804 PolarHBondContact O-N 3.34Å; F802-L804 VanDerWaalsContact O-N 3.12Å; L804-P806 VanDerWaalsContact C-CD 3.41Å; L804-P806 VanDerWaalsContact C-N 3.32Å; L804-L807 HydrophobicContact CD2-CD2 4.41Å; L804-L807 WeakPolarHBondContact O-CB 3.36Å; L804-L807 PolarHBondContact O-N 2.04Å; L804-F808 HydrophobicContact CB-CD2 4.31Å; L804-F808 HydrophobicContact CB-CE2 4.01Å; L804-F808 VanDerWaalsContact O-CD2 3.31Å; L804-F808 WeakPolarHBondContact O-CD2 3.37Å; L804-F808 PolarHBondContact O-N 3.42Å |
| 805 | A | 92.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.033 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -51.1 | -44 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M697 I795 F802 L807 F808 G809 | M697-A805 WeakPolarHBondContact CE-O 3.45Å; M697-A805 HydrophobicContact SD-CB 4.34Å; I795-A805 HydrophobicContact CG1-CB 4.43Å; F802-A805 HydrophobicContact CB-CB 4.38Å; F802-A805 HydrophobicContact CD1-CB 3.49Å; F802-A805 VanDerWaalsContact CD1-CB 3.49Å; F802-A805 HydrophobicContact CE1-CB 4.16Å; F802-A805 HydrophobicContact CG-CB 4.17Å; F802-A805 VanDerWaalsContact O-CB 3.28Å; F802-A805 WeakPolarHBondContact O-CB 3.46Å; F802-A805 PolarHBondContact O-N 3.29Å; A805-L807 VanDerWaalsContact C-N 3.26Å; A805-L807 PolarHBondContact O-N 3.49Å; A805-F808 PolarHBondContact O-N 3.48Å; A805-G809 PolarHBondContact O-N 2.94Å |
| 806 | P | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63 | -29.7 | 178.2 | -21.7 | 34.7 | 0 | 0 | 0 | 113.7 | L402 I405 A406 F473 I795 P803 L804 L810 | L402-P806 HydrophobicContact CD2-CB 4.41Å; I405-P806 HydrophobicContact CB-CB 4.47Å; I405-P806 HydrophobicContact CG2-CB 3.58Å; I405-P806 HydrophobicContact CG2-CG 3.54Å; A406-P806 HydrophobicContact CB-CB 4.38Å; F473-P806 HydrophobicContact CZ-CG 4.17Å; I795-P806 HydrophobicContact CG2-CB 4.37Å; I795-P806 HydrophobicContact CG2-CG 4.12Å; P803-P806 VanDerWaalsContact O-CD 3.28Å; P803-P806 WeakPolarHBondContact O-CD 3.43Å; L804-P806 VanDerWaalsContact C-CD 3.41Å; L804-P806 VanDerWaalsContact C-N 3.32Å; P806-L810 WeakPolarHBondContact O-CB 3.12Å; P806-L810 PolarHBondContact O-N 3.21Å |
| 807 | L | 93 | Very high | 91.1 | Very high | 45 Ų | 45 | 19.4 Ų | 19.4 | 24% | 0.236 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.8 | -47.8 | 175.6 | 176.4 | 63.6 | 0 | 0 | 0 | 111.1 | A406 I410 L804 A805 G809 L810 L811 | A406-L807 HydrophobicContact CB-CB 4.33Å; I410-L807 HydrophobicContact CD1-CD1 4.14Å; I410-L807 HydrophobicContact CD1-CD2 4.1Å; I410-L807 HydrophobicContact CG1-CD2 4.15Å; L804-L807 HydrophobicContact CD2-CD2 4.41Å; L804-L807 WeakPolarHBondContact O-CB 3.36Å; L804-L807 PolarHBondContact O-N 2.04Å; A805-L807 VanDerWaalsContact C-N 3.26Å; A805-L807 PolarHBondContact O-N 3.49Å; L807-G809 VanDerWaalsContact C-N 3.3Å; L807-G809 PolarHBondContact O-N 3.05Å; L807-L810 WeakPolarHBondContact O-CB 3.11Å; L807-L810 PolarHBondContact O-N 2.95Å; L807-L811 WeakPolarHBondContact O-CG 3.44Å; L807-L811 PolarHBondContact O-N 3.39Å |
| 808 | F | 91.8 | Very high | 91 | Very high | 70 Ų | 70 | 19.6 Ų | 19.6 | 31% | 0.307 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 176 | -71.3 | -75.3 | 0 | 0 | 0 | 111.5 | M697 V698 F802 L804 A805 L811 N812 | M697-F808 HydrophobicContact CE-CB 3.52Å; V698-F808 HydrophobicContact CG2-CD1 4.3Å; F802-F808 AromaticContact CE1-CD2 3.56Å; F802-F808 HydrophobicContact CE1-CD2 3.56Å; F802-F808 AromaticContact CE1-CE2 3.95Å; F802-F808 HydrophobicContact CE1-CE2 3.95Å; F802-F808 HydrophobicContact CE2-CD2 4.5Å; F802-F808 HydrophobicContact CE2-CE2 4.14Å; F802-F808 AromaticContact CZ-CD2 3.38Å; F802-F808 HydrophobicContact CZ-CD2 3.38Å; F802-F808 AromaticContact CZ-CE2 3.25Å; F802-F808 HydrophobicContact CZ-CE2 3.25Å; F802-F808 HydrophobicContact CZ-CZ 4.33Å; L804-F808 HydrophobicContact CB-CD2 4.31Å; L804-F808 HydrophobicContact CB-CE2 4.01Å; L804-F808 VanDerWaalsContact O-CD2 3.31Å; L804-F808 WeakPolarHBondContact O-CD2 3.37Å; L804-F808 PolarHBondContact O-N 3.42Å; A805-F808 PolarHBondContact O-N 3.48Å; F808-L811 PolarHBondContact O-N 3.45Å; F808-N812 WeakPolarHBondContact O-CB 3Å; F808-N812 PolarHBondContact O-N 3.27Å |
| 809 | G | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q791 A805 L807 N812 N813 | Q791-G809 PolarHBondContact NE2-O 3.16Å; Q791-G809 VanDerWaalsContact NE2-O 3.08Å; A805-G809 PolarHBondContact O-N 2.94Å; L807-G809 VanDerWaalsContact C-N 3.3Å; L807-G809 PolarHBondContact O-N 3.05Å; G809-N812 PolarHBondContact O-N 3.05Å; G809-N813 WeakPolarHBondContact O-CB 3.42Å; G809-N813 VanDerWaalsContact O-CG 3.23Å; G809-N813 PolarHBondContact O-N 3Å; G809-N813 PolarHBondContact O-OD1 3.47Å |
| 810 | L | 92.9 | Very high | 90.8 | Very high | 19 Ų | 19 | 20 Ų | 20 | 10% | 0.099 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 175.8 | 179.5 | 71.3 | 0 | 0 | 0 | 111.1 | T399 L402 L403 A406 P806 L807 N813 L814 | T399-L810 HydrophobicContact CG2-CD1 3.74Å; T399-L810 VanDerWaalsContact O-CD1 3.24Å; T399-L810 WeakPolarHBondContact O-CD1 3.5Å; L402-L810 HydrophobicContact CB-CB 4.44Å; L402-L810 HydrophobicContact CB-CD1 4.17Å; L403-L810 HydrophobicContact CB-CD1 4.42Å; L403-L810 HydrophobicContact CD1-CD2 3.85Å; A406-L810 HydrophobicContact CB-CD2 4.07Å; P806-L810 WeakPolarHBondContact O-CB 3.12Å; P806-L810 PolarHBondContact O-N 3.21Å; L807-L810 WeakPolarHBondContact O-CB 3.11Å; L807-L810 PolarHBondContact O-N 2.95Å; L810-N813 PolarHBondContact O-N 2.83Å; L810-L814 WeakPolarHBondContact O-CG 3.29Å; L810-L814 PolarHBondContact O-N 3.09Å; L810-L814 VanDerWaalsContact O-N 3.1Å |
| 811 | L | 91 | Very high | 91 | Very high | 79 Ų | 79 | 19.9 Ų | 19.9 | 41% | 0.414 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -62.2 | -45 | 177.5 | -69.7 | 175.1 | 0 | 0 | 0 | 111.5 | L807 F808 N813 L814 F815 | L807-L811 WeakPolarHBondContact O-CG 3.44Å; L807-L811 PolarHBondContact O-N 3.39Å; F808-L811 PolarHBondContact O-N 3.45Å; L811-N813 PolarHBondContact O-N 3.47Å; L811-L814 PolarHBondContact O-N 2.84Å; L811-F815 VanDerWaalsContact O-CD2 3.22Å; L811-F815 WeakPolarHBondContact O-CD2 3.38Å; L811-F815 PolarHBondContact O-N 3.45Å |
| 812 | N | 90.5 | Very high | 91 | Very high | 15 Ų | 15 | 23.3 Ų | 23.3 | 8% | 0.08 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.2 | -52.3 | 176.3 | -169.9 | 52.6 | 0 | 0 | 0 | 111.4 | Q701 Q791 F808 G809 L814 F815 E816 | Q701-N812 VanDerWaalsContact CD-CB 3.49Å; Q701-N812 HydrophobicContact CG-CB 4.25Å; Q701-N812 VanDerWaalsContact CG-CG 3.49Å; Q701-N812 WeakPolarHBondContact CG-OD1 3.13Å; Q791-N812 PolarHBondContact OE1-ND2 2.91Å; F808-N812 WeakPolarHBondContact O-CB 3Å; F808-N812 PolarHBondContact O-N 3.27Å; G809-N812 PolarHBondContact O-N 3.05Å; N812-L814 PolarHBondContact O-N 2.57Å; N812-F815 PolarHBondContact O-N 3.1Å; N812-E816 WeakPolarHBondContact O-CB 3.17Å; N812-E816 PolarHBondContact O-N 2.76Å |
| 813 | N | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.5 | -32.7 | -178 | -70.3 | 4.6 | 0 | 0 | 0 | 113.3 | L395 Y398 T399 L402 Q791 G809 L810 L811 F815 E816 I817 | L395-N813 HydrophobicContact CD1-CB 4.43Å; Y398-N813 WeakPolarHBondContact CD1-ND2 3.36Å; Y398-N813 WeakPolarHBondContact CE1-ND2 3.3Å; T399-N813 HydrophobicContact CG2-CB 4Å; T399-N813 VanDerWaalsContact OG1-CB 3.23Å; T399-N813 WeakPolarHBondContact OG1-CB 3.31Å; T399-N813 PolarHBondContact OG1-ND2 3.21Å; L402-N813 WeakPolarHBondContact CD1-ND2 3.45Å; Q791-N813 PolarHBondContact NE2-OD1 2.98Å; Q791-N813 PolarHBondContact OE1-OD1 2.99Å; G809-N813 WeakPolarHBondContact O-CB 3.42Å; G809-N813 VanDerWaalsContact O-CG 3.23Å; G809-N813 PolarHBondContact O-N 3Å; G809-N813 PolarHBondContact O-OD1 3.47Å; L810-N813 PolarHBondContact O-N 2.83Å; L811-N813 PolarHBondContact O-N 3.47Å; N813-F815 VanDerWaalsContact C-N 3.33Å; N813-E816 PolarHBondContact O-N 2.71Å; N813-I817 WeakPolarHBondContact O-CB 3.37Å; N813-I817 WeakPolarHBondContact O-CD1 3.12Å; N813-I817 WeakPolarHBondContact O-CG1 3.47Å; N813-I817 PolarHBondContact O-N 2.81Å |
| 814 | L | 90.7 | Very high | 90.9 | Very high | 25 Ų | 25 | 24.1 Ų | 24.1 | 13% | 0.131 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.9 | -76.7 | 174.5 | 0 | 0 | 0 | 111.1 | L371 F372 T399 L810 L811 N812 | L371-L814 VanDerWaalsContact CD1-C 3.5Å; L371-L814 HydrophobicContact CD1-CB 4.08Å; L371-L814 WeakPolarHBondContact CD1-O 3.41Å; L371-L814 HydrophobicContact CD2-CB 4.19Å; L371-L814 HydrophobicContact CG-CB 3.98Å; F372-L814 HydrophobicContact CD1-CD1 4.34Å; F372-L814 HydrophobicContact CE1-CD1 3.87Å; T399-L814 HydrophobicContact CG2-CD2 4.18Å; T399-L814 HydrophobicContact CG2-CG 4.41Å; L810-L814 WeakPolarHBondContact O-CG 3.29Å; L810-L814 PolarHBondContact O-N 3.09Å; L810-L814 VanDerWaalsContact O-N 3.1Å; L811-L814 PolarHBondContact O-N 2.84Å; N812-L814 PolarHBondContact O-N 2.57Å |
| 815 | F | 89.4 | Confident | 90.9 | Very high | 88 Ų | 88 | 22.9 Ų | 22.9 | 39% | 0.386 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -71.7 | -43 | 174.9 | -70.8 | -71.7 | 0 | 0 | 0 | 111.7 | Y368 L371 L811 N812 N813 I817 R818 G819 | Y368-F815 HydrophobicContact CD1-CD1 4.31Å; Y368-F815 HydrophobicContact CE1-CD1 4.4Å; L371-F815 HydrophobicContact CD1-CD1 4.09Å; L371-F815 HydrophobicContact CD1-CE1 4.35Å; L371-F815 HydrophobicContact CD2-CE1 4.46Å; L371-F815 HydrophobicContact CD2-CZ 4.46Å; L811-F815 VanDerWaalsContact O-CD2 3.22Å; L811-F815 WeakPolarHBondContact O-CD2 3.38Å; L811-F815 PolarHBondContact O-N 3.45Å; N812-F815 PolarHBondContact O-N 3.1Å; N813-F815 VanDerWaalsContact C-N 3.33Å; F815-I817 PolarHBondContact O-N 3.33Å; F815-R818 PolarHBondContact O-N 3.46Å; F815-G819 PolarHBondContact O-N 3.05Å |
| 816 | E | 90.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.3 | -50.6 | -178.5 | -163.3 | 77.1 | 157 | 0 | 0 | 112.3 | L395 M788 N812 N813 R818 G819 D820 | L395-E816 HydrophobicContact CD2-CG 4.5Å; M788-E816 HydrophobicContact CE-CG 3.75Å; M788-E816 WeakPolarHBondContact CE-OE1 3.4Å; M788-E816 HydrophobicContact SD-CG 4.32Å; N812-E816 WeakPolarHBondContact O-CB 3.17Å; N812-E816 PolarHBondContact O-N 2.76Å; N813-E816 PolarHBondContact O-N 2.71Å; E816-R818 PolarHBondContact O-N 2.5Å; E816-G819 PolarHBondContact O-N 3.41Å; E816-D820 PolarHBondContact O-N 2.77Å |
| 817 | I | 91.5 | Very high | 89.8 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 5% | 0.046 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -50 | -37 | 177.2 | -73.5 | 165.8 | 0 | 0 | 0 | 111.6 | Q375 L395 T399 N813 F815 A821 | Q375-I817 VanDerWaalsContact CD-CG2 3.44Å; Q375-I817 HydrophobicContact CG-CG2 3.93Å; L395-I817 HydrophobicContact CD2-CB 4.28Å; L395-I817 HydrophobicContact CD2-CG1 3.39Å; L395-I817 HydrophobicContact CG-CD1 4.16Å; L395-I817 HydrophobicContact CG-CG1 3.51Å; T399-I817 HydrophobicContact CG2-CD1 4.35Å; N813-I817 WeakPolarHBondContact O-CB 3.37Å; N813-I817 WeakPolarHBondContact O-CD1 3.12Å; N813-I817 WeakPolarHBondContact O-CG1 3.47Å; N813-I817 PolarHBondContact O-N 2.81Å; F815-I817 PolarHBondContact O-N 3.33Å; I817-A821 VanDerWaalsContact O-CB 3.26Å; I817-A821 WeakPolarHBondContact O-CB 3.29Å; I817-A821 PolarHBondContact O-N 3.2Å |
| 818 | R | 91.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 26.7 Ų | 26.7 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -87.9 | -34.6 | -178.4 | -53.7 | -57.5 | 169.2 | 177.4 | -3.7 | 112.2 | W365 Y368 M370 L371 K373 F815 E816 K822 | W365-R818 WeakPolarHBondContact O-CD 3.37Å; W365-R818 PolarHBondContact O-NH1 3.43Å; Y368-R818 HydrophobicContact CD1-CB 3.6Å; Y368-R818 HydrophobicContact CD1-CG 4.34Å; Y368-R818 HydrophobicContact CE1-CB 3.65Å; M370-R818 PolarHBondContact O-NH2 3.47Å; L371-R818 HydrophobicContact CD1-CG 3.99Å; L371-R818 PolarHBondContact O-NH2 3.43Å; L371-R818 VanDerWaalsContact O-NH2 3.11Å; K373-R818 PolarHBondContact O-NH2 2.88Å; F815-R818 PolarHBondContact O-N 3.46Å; E816-R818 PolarHBondContact O-N 2.5Å; R818-K822 VanDerWaalsContact O-CB 3.31Å; R818-K822 WeakPolarHBondContact O-CB 3.5Å; R818-K822 PolarHBondContact O-N 3.38Å |
| 819 | G | 88.3 | Confident | 89.2 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 8% | 0.082 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.4 | -55.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y368 F815 E816 A821 K822 K823 | Y368-G819 WeakPolarHBondContact OH-CA 3.29Å; F815-G819 PolarHBondContact O-N 3.05Å; E816-G819 PolarHBondContact O-N 3.41Å; G819-A821 PolarHBondContact O-N 3.24Å; G819-K822 WeakPolarHBondContact O-CB 3.23Å; G819-K822 PolarHBondContact O-N 3.27Å; G819-K822 VanDerWaalsContact O-N 3.08Å; G819-K823 WeakPolarHBondContact O-CB 3.28Å; G819-K823 PolarHBondContact O-N 2.63Å |
| 820 | D | 90.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | -179.9 | -62 | -25.5 | 0 | 0 | 0 | 112.5 | Y391 F392 E816 K822 K823 L824 | Y391-D820 HydrophobicContact CE1-CB 4.47Å; Y391-D820 PolarHBondContact OH-OD2 3.07Å; F392-D820 HydrophobicContact CE1-CB 3.8Å; F392-D820 HydrophobicContact CZ-CB 3.63Å; E816-D820 PolarHBondContact O-N 2.77Å; D820-K822 VanDerWaalsContact C-N 3.27Å; D820-K822 PolarHBondContact O-N 3.34Å; D820-K823 WeakPolarHBondContact O-CB 3.29Å; D820-K823 PolarHBondContact O-N 2.73Å; D820-L824 PolarHBondContact O-N 3.27Å |
| 821 | A | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W365 A366 F392 I817 G819 V825 | W365-A821 HydrophobicContact CD2-CB 3.62Å; W365-A821 VanDerWaalsContact CE2-CB 3.46Å; W365-A821 HydrophobicContact CE3-CB 3.88Å; W365-A821 HydrophobicContact CG-CB 4.21Å; W365-A821 HydrophobicContact CH2-CB 3.92Å; W365-A821 HydrophobicContact CZ2-CB 3.64Å; W365-A821 HydrophobicContact CZ3-CB 4.02Å; A366-A821 HydrophobicContact CB-CB 3.89Å; A366-A821 WeakPolarHBondContact CB-O 3.21Å; F392-A821 HydrophobicContact CZ-CB 4.5Å; I817-A821 VanDerWaalsContact O-CB 3.26Å; I817-A821 WeakPolarHBondContact O-CB 3.29Å; I817-A821 PolarHBondContact O-N 3.2Å; G819-A821 PolarHBondContact O-N 3.24Å; A821-V825 WeakPolarHBondContact O-CB 3.36Å; A821-V825 VanDerWaalsContact O-CG2 3.24Å; A821-V825 WeakPolarHBondContact O-CG2 2.93Å; A821-V825 PolarHBondContact O-N 2.88Å |
| 822 | K | 88.4 | Confident | 89.1 | Confident | 73 Ų | 73 | 22.5 Ų | 22.5 | 32% | 0.317 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -69.3 | -39.2 | 178.1 | -168.1 | -177.2 | 179.9 | -175 | 0 | 112.1 | A366 Y368 R818 G819 D820 N826 | A366-K822 HydrophobicContact CB-CB 4.48Å; Y368-K822 HydrophobicContact CE2-CD 4.38Å; R818-K822 VanDerWaalsContact O-CB 3.31Å; R818-K822 WeakPolarHBondContact O-CB 3.5Å; R818-K822 PolarHBondContact O-N 3.38Å; G819-K822 WeakPolarHBondContact O-CB 3.23Å; G819-K822 PolarHBondContact O-N 3.27Å; G819-K822 VanDerWaalsContact O-N 3.08Å; D820-K822 VanDerWaalsContact C-N 3.27Å; D820-K822 PolarHBondContact O-N 3.34Å; K822-N826 WeakPolarHBondContact CG-ND2 3.2Å; K822-N826 WeakPolarHBondContact O-CB 3.38Å; K822-N826 PolarHBondContact O-N 3.49Å; K822-N826 PolarHBondContact O-ND2 2.96Å |
| 823 | K | 86.7 | Confident | 89 | Confident | 17 Ų | 17 | 23.6 Ų | 23.6 | 7% | 0.074 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -58.6 | -52.2 | 174.6 | -173.4 | 178.2 | -178.1 | 179.6 | 0 | 110.9 | E708 E784 G819 D820 Q827 Y828 | E708-K823 IonicContact OE1-NZ 3.82Å; E708-K823 PolarHBondContact OE1-NZ 3Å; E708-K823 IonicContact OE2-NZ 3.55Å; E784-K823 WeakPolarHBondContact OE1-CE 3.36Å; E784-K823 IonicContact OE1-NZ 3.84Å; E784-K823 PolarHBondContact OE1-NZ 2.92Å; E784-K823 IonicContact OE2-NZ 2.88Å; E784-K823 PolarHBondContact OE2-NZ 2.81Å; G819-K823 WeakPolarHBondContact O-CB 3.28Å; G819-K823 PolarHBondContact O-N 2.63Å; D820-K823 WeakPolarHBondContact O-CB 3.29Å; D820-K823 PolarHBondContact O-N 2.73Å; K823-Q827 WeakPolarHBondContact O-CB 3.24Å; K823-Q827 PolarHBondContact O-N 2.87Å; K823-Y828 HydrophobicContact CD-CE2 4.1Å; K823-Y828 VanDerWaalsContact CE-CZ 3.42Å; K823-Y828 WeakPolarHBondContact CE-OH 3.26Å; K823-Y828 HydrophobicContact CG-CD1 4.38Å; K823-Y828 HydrophobicContact CG-CD2 4.09Å; K823-Y828 HydrophobicContact CG-CE1 4.08Å; K823-Y828 HydrophobicContact CG-CE2 3.75Å; K823-Y828 HydrophobicContact CG-CG 4.43Å; K823-Y828 PolarHBondContact O-N 2.83Å |
| 824 | L | 89.5 | Confident | 88.7 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -67.9 | -35.9 | 179.6 | -73.7 | 167.5 | 0 | 0 | 0 | 114.7 | F384 V388 F392 D820 Y828 P831 | F384-L824 HydrophobicContact CE1-CB 4.37Å; F384-L824 HydrophobicContact CE2-CB 4.49Å; F384-L824 HydrophobicContact CZ-CB 4.02Å; V388-L824 HydrophobicContact CG1-CD1 3.87Å; F392-L824 HydrophobicContact CE2-CD1 3.51Å; F392-L824 HydrophobicContact CZ-CD1 3.85Å; D820-L824 PolarHBondContact O-N 3.27Å; L824-Y828 HydrophobicContact CD2-CD2 4.1Å; L824-P831 HydrophobicContact CD2-CG 4.25Å |
| 825 | V | 89.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -83.9 | -33.9 | -176 | 174.5 | 0 | 0 | 0 | 0 | 112.7 | R358 L361 Q362 W365 A366 F384 A821 | R358-V825 HydrophobicContact CG-CG1 4.05Å; R358-V825 PolarHBondContact NE-O 3.4Å; R358-V825 VanDerWaalsContact NE-O 3.1Å; R358-V825 PolarHBondContact NH2-O 3.27Å; L361-V825 HydrophobicContact CB-CG2 4.35Å; Q362-V825 HydrophobicContact CB-CG1 4.1Å; Q362-V825 HydrophobicContact CG-CG1 4.41Å; W365-V825 HydrophobicContact CE3-CG2 4.34Å; W365-V825 HydrophobicContact CZ3-CG2 4.12Å; A366-V825 HydrophobicContact CB-CB 4.18Å; A366-V825 HydrophobicContact CB-CG2 4.11Å; F384-V825 HydrophobicContact CE2-CG2 4.03Å; F384-V825 HydrophobicContact CZ-CG2 4.03Å; A821-V825 WeakPolarHBondContact O-CB 3.36Å; A821-V825 VanDerWaalsContact O-CG2 3.24Å; A821-V825 WeakPolarHBondContact O-CG2 2.93Å; A821-V825 PolarHBondContact O-N 2.88Å |
| 826 | N | 83 | Confident | 88.6 | Confident | 46 Ų | 46 | 26.9 Ų | 26.9 | 25% | 0.246 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -116.8 | -27.3 | -169.4 | -58 | -49 | 0 | 0 | 0 | 115.3 | Q362 K822 | Q362-N826 PolarHBondContact NE2-OD1 3.01Å; K822-N826 WeakPolarHBondContact CG-ND2 3.2Å; K822-N826 WeakPolarHBondContact O-CB 3.38Å; K822-N826 PolarHBondContact O-N 3.49Å; K822-N826 PolarHBondContact O-ND2 2.96Å |
| 827 | Q | 80.2 | Confident | 88.5 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 19% | 0.187 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -106.9 | -38.9 | -170.9 | -62.7 | 176.1 | -15.7 | 0 | 0 | 112.4 | Y135 L774 K823 | Y135-Q827 VanDerWaalsContact OH-CD 3.31Å; Y135-Q827 PolarHBondContact OH-OE1 3.02Å; L774-Q827 HydrophobicContact CD1-CB 4.22Å; L774-Q827 PolarHBondContact N-O 3.31Å; K823-Q827 WeakPolarHBondContact O-CB 3.24Å; K823-Q827 PolarHBondContact O-N 2.87Å |
| 828 | Y | 84.7 | Confident | 88.5 | Confident | 44 Ų | 44 | 32.6 Ų | 32.6 | 17% | 0.173 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -89.3 | 147.2 | -178.9 | -71.1 | -6.2 | 0 | 0 | 0 | 112 | H322 L774 P776 K823 L824 | H322-Y828 PolarHBondContact NE2-O 3.46Å; L774-Y828 HydrophobicContact CB-CD1 3.87Å; L774-Y828 HydrophobicContact CB-CE1 4.18Å; L774-Y828 HydrophobicContact CD1-CD1 4.19Å; L774-Y828 HydrophobicContact CD1-CE1 4.17Å; L774-Y828 WeakPolarHBondContact O-CA 3.25Å; P776-Y828 HydrophobicContact CB-CD2 3.68Å; P776-Y828 HydrophobicContact CB-CE2 4.11Å; P776-Y828 HydrophobicContact CB-CG 3.97Å; K823-Y828 HydrophobicContact CD-CE2 4.1Å; K823-Y828 VanDerWaalsContact CE-CZ 3.42Å; K823-Y828 WeakPolarHBondContact CE-OH 3.26Å; K823-Y828 HydrophobicContact CG-CD1 4.38Å; K823-Y828 HydrophobicContact CG-CD2 4.09Å; K823-Y828 HydrophobicContact CG-CE1 4.08Å; K823-Y828 HydrophobicContact CG-CE2 3.75Å; K823-Y828 HydrophobicContact CG-CG 4.43Å; K823-Y828 PolarHBondContact O-N 2.83Å; L824-Y828 HydrophobicContact CD2-CD2 4.1Å |
| 829 | R | 87.6 | Confident | 88.4 | Confident | 22 Ų | 22 | 33 Ų | 33 | 8% | 0.083 | 16% | 0.162 | C | C | . | . | trans | -61.3 | 152.7 | 159 | -66.2 | 178.3 | -170.9 | 162.9 | -0.7 | 109 | D770 F771 M773 L774 P831 | D770-R829 VanDerWaalsContact O-CG 3.3Å; D770-R829 WeakPolarHBondContact O-CG 3.46Å; D770-R829 PolarHBondContact O-NE 2.68Å; F771-R829 PolarHBondContact O-NH2 3.26Å; M773-R829 HydrophobicContact CB-CG 3.71Å; M773-R829 PolarHBondContact O-NE 2.85Å; L774-R829 PolarHBondContact O-N 3.03Å; R829-P831 WeakPolarHBondContact O-CD 3.47Å; R829-P831 VanDerWaalsContact O-N 3.12Å | ||
| 830 | R | 92.6 | Very high | 88.5 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 6% | 0.064 | 18% | 0.176 | C | C | . | . | trans | -64 | 114.9 | -178.4 | -173.6 | 174.6 | -176.7 | -153.7 | -5 | 109.4 | P320 L321 H322 Y383 F384 | P320-R830 WeakPolarHBondContact CD-O 3.38Å; P320-R830 HydrophobicContact CG-CB 4.03Å; P320-R830 HydrophobicContact CG-CG 4.17Å; P320-R830 VanDerWaalsContact CG-O 3.32Å; P320-R830 WeakPolarHBondContact CG-O 3.21Å; L321-R830 PolarHBondContact O-NH1 3.09Å; H322-R830 VanDerWaalsContact CE1-CB 3.48Å; H322-R830 WeakPolarHBondContact CE1-CB 3.09Å; H322-R830 WeakPolarHBondContact NE2-CA 3.25Å; H322-R830 WeakPolarHBondContact NE2-CB 3.09Å; H322-R830 PolarHBondContact NE2-N 3.34Å; Y383-R830 VanDerWaalsContact O-CZ 3.3Å; Y383-R830 PolarHBondContact O-NE 3.48Å; Y383-R830 PolarHBondContact O-NH2 3.3Å; F384-R830 HydrophobicContact CD1-CG 4.49Å | ||
| 831 | P | 91.9 | Very high | 88.5 | Confident | 12 Ų | 12 | 36 Ų | 36 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | trans | -73.4 | 141.7 | -179.7 | 29.8 | -34 | 0 | 0 | 0 | 110.4 | F384 P776 P780 L824 R829 L833 | F384-P831 HydrophobicContact CD1-CG 4.33Å; P776-P831 HydrophobicContact CG-CB 4.09Å; P780-P831 HydrophobicContact CG-CB 4.2Å; L824-P831 HydrophobicContact CD2-CG 4.25Å; R829-P831 WeakPolarHBondContact O-CD 3.47Å; R829-P831 VanDerWaalsContact O-N 3.12Å; P831-L833 HydrophobicContact CB-CG 4.45Å | ||
| 832 | V | 90.2 | Very high | 88.6 | Confident | 29 Ų | 29 | 36.7 Ų | 36.7 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | trans | -99.5 | 115.5 | 165.6 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | Y30 A245 L246 D249 P320 | Y30-V832 HydrophobicContact CE2-CG2 4.06Å; A245-V832 HydrophobicContact CB-CG2 4.24Å; L246-V832 HydrophobicContact CD1-CG1 4.26Å; D249-V832 HydrophobicContact CB-CB 4.37Å; D249-V832 HydrophobicContact CB-CG1 3.77Å; P320-V832 HydrophobicContact CB-CG2 4.39Å; P320-V832 HydrophobicContact CG-CG2 3.5Å; P320-V832 VanDerWaalsContact CG-CG2 3.5Å | ||
| 833 | L | 89.2 | Confident | 88.8 | Confident | 38 Ų | 38 | 35 Ų | 35 | 20% | 0.199 | 18% | 0.182 | C | C | . | . | trans | -118.6 | 148.9 | 178.7 | -66.1 | 179.7 | 0 | 0 | 0 | 110.3 | A387 V388 P780 L781 P831 | A387-L833 HydrophobicContact CB-CB 3.89Å; A387-L833 HydrophobicContact CB-CD1 3.78Å; A387-L833 HydrophobicContact CB-CG 4.48Å; V388-L833 HydrophobicContact CG2-CD1 3.61Å; P780-L833 HydrophobicContact CG-CD1 4.26Å; P780-L833 HydrophobicContact CG-CD2 3.66Å; P780-L833 HydrophobicContact CG-CG 4.34Å; L781-L833 HydrophobicContact CD1-CD1 3.66Å; L781-L833 HydrophobicContact CG-CD1 4.1Å; P831-L833 HydrophobicContact CB-CG 4.45Å | ||
| 834 | E | 84.1 | Confident | 89 | Confident | 98 Ų | 98 | 37.6 Ų | 37.6 | 46% | 0.458 | 20% | 0.202 | S | C | . | . | trans | -64.9 | 153.4 | 175.2 | -62.3 | -175.7 | 172 | 0 | 0 | 111.3 | Q509 V836 | Q509-E834 PolarHBondContact NE2-OE2 3.22Å; E834-V836 PolarHBondContact O-N 3.33Å | ||
| 835 | R | 88.6 | Confident | 89.2 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 14% | 0.143 | 20% | 0.203 | C | C | . | . | trans | -73.5 | 124.6 | 173.7 | -60.5 | -176.9 | 73.5 | -149.8 | -2.6 | 108.3 | L246 E386 V501 L504 | L246-R835 HydrophobicContact CD2-CG 3.82Å; E386-R835 IonicContact OE1-NE 3.68Å; E386-R835 IonicContact OE1-NH2 2.97Å; E386-R835 IonicContact OE2-NE 2.96Å; V501-R835 VanDerWaalsContact CG1-NH2 3.34Å; L504-R835 HydrophobicContact CD2-CB 4.05Å; L504-R835 VanDerWaalsContact CD2-O 3.23Å; L504-R835 WeakPolarHBondContact CD2-O 3.28Å | ||
| 836 | V | 89.5 | Confident | 89.3 | Confident | 46 Ų | 46 | 37.9 Ų | 37.9 | 28% | 0.279 | 20% | 0.203 | S | C | . | . | trans | -122.2 | 150.7 | -179.2 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | A387 F390 E834 | A387-V836 HydrophobicContact CB-CG2 3.83Å; F390-V836 HydrophobicContact CD2-CG2 3.98Å; F390-V836 VanDerWaalsContact CE2-O 3.3Å; F390-V836 WeakPolarHBondContact CE2-O 3.32Å; E834-V836 PolarHBondContact O-N 3.33Å | ||
| 837 | Q | 89.1 | Confident | 89.6 | Confident | 93 Ų | 93 | 39 Ų | 39 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -96.2 | -21.5 | 174.5 | 50.7 | 164.9 | 4.7 | 0 | 0 | 113.4 | F390 V501 | F390-Q837 WeakPolarHBondContact CZ-O 3.07Å; V501-Q837 WeakPolarHBondContact O-CB 3.3Å |
| 838 | T | 91.1 | Very high | 90.2 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -141.1 | 171.3 | -176.3 | 73.1 | 0 | 0 | 0 | 0 | 110.6 | Q492 G840 | Q492-T838 VanDerWaalsContact NE2-CB 3.28Å; T838-G840 PolarHBondContact O-N 3.47Å; T838-G840 PolarHBondContact OG1-N 2.82Å; T838-G840 VanDerWaalsContact OG1-N 3.1Å |
| 839 | I | 90.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | trans | -70.9 | -1.2 | 170.5 | 63.6 | 175.2 | 0 | 0 | 0 | 113.4 | F390 W488 Y785 W842 L843 I846 | F390-I839 HydrophobicContact CB-CG2 4.42Å; W488-I839 HydrophobicContact CZ2-CG2 3.97Å; Y785-I839 HydrophobicContact CE1-CB 4.27Å; Y785-I839 HydrophobicContact CE1-CG2 4.14Å; Y785-I839 WeakPolarHBondContact OH-CG2 2.83Å; I839-W842 HydrophobicContact CD1-CB 3.94Å; I839-W842 HydrophobicContact CG1-CB 4.16Å; I839-W842 VanDerWaalsContact O-CD1 3.29Å; I839-L843 HydrophobicContact CD1-CB 4.39Å; I839-L843 HydrophobicContact CD1-CD1 4.41Å; I839-L843 HydrophobicContact CG1-CB 4.18Å; I839-I846 HydrophobicContact CD1-CD1 4.16Å | ||
| 840 | G | 89.3 | Confident | 90.6 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 37% | 0.371 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -140.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T838 W842 L843 | T838-G840 PolarHBondContact O-N 3.47Å; T838-G840 PolarHBondContact OG1-N 2.82Å; T838-G840 VanDerWaalsContact OG1-N 3.1Å; G840-W842 PolarHBondContact O-N 3.12Å; G840-W842 VanDerWaalsContact O-N 3.08Å; G840-L843 WeakPolarHBondContact O-CB 3.41Å; G840-L843 PolarHBondContact O-N 3.46Å; G840-L843 VanDerWaalsContact O-N 3.09Å |
| 841 | I | 91.2 | Very high | 90.5 | Very high | 39 Ų | 39 | 40 Ų | 40 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -27 | -175.7 | -169.6 | 66.1 | 0 | 0 | 0 | 113.8 | T639 L843 S844 I845 | T639-I841 HydrophobicContact CG2-CG2 3.57Å; I841-L843 PolarHBondContact O-N 2.88Å; I841-S844 WeakPolarHBondContact O-CB 3.49Å; I841-S844 PolarHBondContact O-N 2.73Å; I841-I845 HydrophobicContact CG1-CD1 4.49Å; I841-I845 PolarHBondContact O-N 2.96Å |
| 842 | W | 93.5 | Very high | 90.5 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.5 | -30 | 177.8 | -61.7 | 117.4 | 0 | 0 | 0 | 113 | T639 Y643 F782 Y785 L786 M789 I839 G840 S844 I845 I846 | T639-W842 HydrophobicContact CG2-CD2 4.41Å; T639-W842 HydrophobicContact CG2-CH2 3.71Å; T639-W842 HydrophobicContact CG2-CZ2 3.54Å; T639-W842 HydrophobicContact CG2-CZ3 4.19Å; Y643-W842 HydrophobicContact CD2-CZ3 4.25Å; F782-W842 HydrophobicContact CD2-CH2 4.31Å; F782-W842 AromaticContact CD2-CZ2 3.83Å; F782-W842 HydrophobicContact CD2-CZ2 3.83Å; F782-W842 HydrophobicContact CE2-CH2 4.05Å; F782-W842 HydrophobicContact CE2-CZ2 4.03Å; Y785-W842 HydrophobicContact CD1-CG 4.3Å; Y785-W842 AromaticContact CD2-CD1 3.8Å; Y785-W842 AromaticContact CD2-NE1 3.53Å; Y785-W842 AromaticContact CG-CD1 3.69Å; Y785-W842 HydrophobicContact CG-CD2 4.32Å; Y785-W842 AromaticContact CG-CE2 3.94Å; Y785-W842 HydrophobicContact CG-CG 4.19Å; Y785-W842 AromaticContact CG-NE1 3.55Å; L786-W842 HydrophobicContact CB-CH2 3.92Å; L786-W842 HydrophobicContact CD1-CH2 4.2Å; M789-W842 HydrophobicContact CB-CZ3 4.38Å; M789-W842 HydrophobicContact CG-CD2 4.39Å; M789-W842 HydrophobicContact CG-CE3 3.48Å; M789-W842 VanDerWaalsContact CG-CE3 3.48Å; M789-W842 HydrophobicContact CG-CZ3 3.71Å; M789-W842 HydrophobicContact SD-CE3 4.44Å; I839-W842 HydrophobicContact CD1-CB 3.94Å; I839-W842 HydrophobicContact CG1-CB 4.16Å; I839-W842 VanDerWaalsContact O-CD1 3.29Å; G840-W842 PolarHBondContact O-N 3.12Å; G840-W842 VanDerWaalsContact O-N 3.08Å; W842-S844 VanDerWaalsContact C-N 3.34Å; W842-S844 PolarHBondContact O-N 2.9Å; W842-I845 HydrophobicContact CD2-CD1 4.41Å; W842-I845 HydrophobicContact CE3-CD1 3.56Å; W842-I845 HydrophobicContact CZ3-CD1 3.79Å; W842-I845 PolarHBondContact O-N 3.47Å; W842-I846 VanDerWaalsContact O-CG1 3.31Å; W842-I846 WeakPolarHBondContact O-CG1 3.49Å; W842-I846 PolarHBondContact O-N 3.39Å |
| 843 | L | 92.4 | Very high | 90.6 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 20% | 0.204 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.7 | -166.4 | 76.3 | 0 | 0 | 0 | 111.8 | F485 K489 I839 G840 I841 T847 | F485-L843 HydrophobicContact CD2-CD1 4.42Å; F485-L843 HydrophobicContact CE2-CD1 3.37Å; F485-L843 HydrophobicContact CE2-CG 3.95Å; F485-L843 HydrophobicContact CZ-CD1 3.68Å; F485-L843 HydrophobicContact CZ-CG 3.82Å; F485-L843 WeakPolarHBondContact CZ-O 3.36Å; K489-L843 HydrophobicContact CG-CD1 4.26Å; I839-L843 HydrophobicContact CD1-CB 4.39Å; I839-L843 HydrophobicContact CD1-CD1 4.41Å; I839-L843 HydrophobicContact CG1-CB 4.18Å; G840-L843 WeakPolarHBondContact O-CB 3.41Å; G840-L843 PolarHBondContact O-N 3.46Å; G840-L843 VanDerWaalsContact O-N 3.09Å; I841-L843 PolarHBondContact O-N 2.88Å; L843-T847 PolarHBondContact O-N 2.71Å; L843-T847 PolarHBondContact O-OG1 3.29Å |
| 844 | S | 92.3 | Very high | 90.7 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 50% | 0.497 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.2 | -40.8 | 176 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | I841 W842 T847 V848 | I841-S844 WeakPolarHBondContact O-CB 3.49Å; I841-S844 PolarHBondContact O-N 2.73Å; W842-S844 VanDerWaalsContact C-N 3.34Å; W842-S844 PolarHBondContact O-N 2.9Å; S844-T847 WeakPolarHBondContact O-CB 3.5Å; S844-T847 PolarHBondContact O-N 2.92Å; S844-V848 PolarHBondContact O-N 3.44Å |
| 845 | I | 93 | Very high | 91.1 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 177.8 | -68.3 | 170.3 | 0 | 0 | 0 | 111.1 | T639 Y643 I841 W842 T847 V848 L849 | T639-I845 HydrophobicContact CG2-CD1 4.47Å; Y643-I845 HydrophobicContact CD1-CD1 4.18Å; Y643-I845 HydrophobicContact CD1-CG1 4.36Å; Y643-I845 HydrophobicContact CD1-CG2 4Å; Y643-I845 HydrophobicContact CD2-CG2 4.18Å; Y643-I845 HydrophobicContact CE1-CG2 3.51Å; Y643-I845 HydrophobicContact CE2-CG2 3.71Å; Y643-I845 HydrophobicContact CG-CD1 4.07Å; Y643-I845 HydrophobicContact CG-CG2 4.31Å; I841-I845 HydrophobicContact CG1-CD1 4.49Å; I841-I845 PolarHBondContact O-N 2.96Å; W842-I845 HydrophobicContact CD2-CD1 4.41Å; W842-I845 HydrophobicContact CE3-CD1 3.56Å; W842-I845 HydrophobicContact CZ3-CD1 3.79Å; W842-I845 PolarHBondContact O-N 3.47Å; I845-T847 VanDerWaalsContact C-N 3.32Å; I845-T847 PolarHBondContact O-N 2.95Å; I845-V848 PolarHBondContact O-N 3.35Å; I845-L849 WeakPolarHBondContact O-CB 3.11Å; I845-L849 PolarHBondContact O-N 3.16Å |
| 846 | I | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 178.6 | -64.6 | 164.6 | 0 | 0 | 0 | 111.2 | W394 F485 M789 Y792 I839 W842 V848 L849 A850 | W394-I846 HydrophobicContact CZ2-CD1 4.3Å; F485-I846 HydrophobicContact CD2-CB 4.05Å; F485-I846 HydrophobicContact CD2-CG2 3.37Å; F485-I846 HydrophobicContact CE2-CB 3.83Å; F485-I846 HydrophobicContact CE2-CG2 3.69Å; F485-I846 HydrophobicContact CG-CG2 4.1Å; M789-I846 HydrophobicContact CE-CD1 3.94Å; M789-I846 HydrophobicContact CE-CG1 4.27Å; M789-I846 HydrophobicContact SD-CD1 3.76Å; M789-I846 HydrophobicContact SD-CG1 3.4Å; M789-I846 WeakPolarHBondContact SD-CG1 3.42Å; Y792-I846 HydrophobicContact CE1-CG2 4.21Å; I839-I846 HydrophobicContact CD1-CD1 4.16Å; W842-I846 VanDerWaalsContact O-CG1 3.31Å; W842-I846 WeakPolarHBondContact O-CG1 3.49Å; W842-I846 PolarHBondContact O-N 3.39Å; I846-V848 PolarHBondContact O-N 3.1Å; I846-L849 PolarHBondContact O-N 3.45Å; I846-A850 WeakPolarHBondContact O-CB 3.32Å; I846-A850 PolarHBondContact O-N 3.04Å |
| 847 | T | 89.7 | Confident | 91.5 | Very high | 71 Ų | 71 | 35.8 Ų | 35.8 | 44% | 0.436 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.5 | -49.3 | 176.2 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | F485 L843 S844 I845 L849 A850 S851 | F485-T847 VanDerWaalsContact CE1-OG1 3.24Å; F485-T847 WeakPolarHBondContact CE1-OG1 3.41Å; F485-T847 WeakPolarHBondContact CZ-OG1 3.25Å; L843-T847 PolarHBondContact O-N 2.71Å; L843-T847 PolarHBondContact O-OG1 3.29Å; S844-T847 WeakPolarHBondContact O-CB 3.5Å; S844-T847 PolarHBondContact O-N 2.92Å; I845-T847 VanDerWaalsContact C-N 3.32Å; I845-T847 PolarHBondContact O-N 2.95Å; T847-L849 VanDerWaalsContact C-N 3.33Å; T847-L849 PolarHBondContact O-N 2.91Å; T847-A850 PolarHBondContact O-N 3.29Å; T847-S851 PolarHBondContact O-N 3.45Å |
| 848 | V | 91.3 | Very high | 91.7 | Very high | 88 Ų | 88 | 31.3 Ų | 31.3 | 53% | 0.533 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.6 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | S844 I845 I846 A850 S851 I852 | S844-V848 PolarHBondContact O-N 3.44Å; I845-V848 PolarHBondContact O-N 3.35Å; I846-V848 PolarHBondContact O-N 3.1Å; V848-A850 PolarHBondContact O-N 2.92Å; V848-S851 WeakPolarHBondContact O-CB 3.08Å; V848-S851 PolarHBondContact O-N 2.94Å; V848-I852 HydrophobicContact CG1-CD1 3.92Å; V848-I852 HydrophobicContact CG1-CG1 4.47Å; V848-I852 WeakPolarHBondContact O-CG1 3.36Å; V848-I852 PolarHBondContact O-N 3.45Å |
| 849 | L | 92.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | -179 | -165.6 | 56.4 | 0 | 0 | 0 | 112.7 | F647 Y792 M797 I845 I846 T847 S851 I852 A853 | F647-L849 HydrophobicContact CE2-CD1 4.02Å; Y792-L849 HydrophobicContact CD1-CD2 3.58Å; Y792-L849 HydrophobicContact CD1-CG 4.1Å; Y792-L849 HydrophobicContact CE1-CD2 4.25Å; Y792-L849 HydrophobicContact CE1-CG 4.35Å; M797-L849 HydrophobicContact CE-CD1 3.34Å; M797-L849 HydrophobicContact CE-CG 4.42Å; M797-L849 HydrophobicContact SD-CD1 4.08Å; I845-L849 WeakPolarHBondContact O-CB 3.11Å; I845-L849 PolarHBondContact O-N 3.16Å; I846-L849 PolarHBondContact O-N 3.45Å; T847-L849 VanDerWaalsContact C-N 3.33Å; T847-L849 PolarHBondContact O-N 2.91Å; L849-S851 VanDerWaalsContact C-N 3.31Å; L849-S851 PolarHBondContact O-N 3.07Å; L849-I852 PolarHBondContact O-N 3.1Å; L849-A853 WeakPolarHBondContact O-CB 2.99Å; L849-A853 PolarHBondContact O-N 3.44Å |
| 850 | A | 89.6 | Confident | 91.9 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 5% | 0.05 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I846 T847 V848 A853 I854 | I846-A850 WeakPolarHBondContact O-CB 3.32Å; I846-A850 PolarHBondContact O-N 3.04Å; T847-A850 PolarHBondContact O-N 3.29Å; V848-A850 PolarHBondContact O-N 2.92Å; A850-A853 PolarHBondContact O-N 2.94Å; A850-I854 PolarHBondContact O-N 3.42Å |
| 851 | S | 89.2 | Confident | 92.1 | Very high | 47 Ų | 47 | 28.5 Ų | 28.5 | 33% | 0.329 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 175.5 | -167.3 | 0 | 0 | 0 | 0 | 112.5 | T847 V848 L849 R855 | T847-S851 PolarHBondContact O-N 3.45Å; V848-S851 WeakPolarHBondContact O-CB 3.08Å; V848-S851 PolarHBondContact O-N 2.94Å; L849-S851 VanDerWaalsContact C-N 3.31Å; L849-S851 PolarHBondContact O-N 3.07Å; S851-R855 PolarHBondContact O-NH1 2.97Å; S851-R855 VanDerWaalsContact O-NH1 3.12Å; S851-R855 PolarHBondContact OG-NH1 2.96Å |
| 852 | I | 92.1 | Very high | 92.1 | Very high | 49 Ų | 49 | 26.7 Ų | 26.7 | 25% | 0.251 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 174.6 | -65.8 | 169.6 | 0 | 0 | 0 | 110.2 | F647 M797 V848 L849 I854 R855 T856 | F647-I852 HydrophobicContact CE2-CD1 4.45Å; F647-I852 HydrophobicContact CZ-CD1 4.15Å; M797-I852 HydrophobicContact CG-CG2 4.36Å; M797-I852 HydrophobicContact SD-CB 4.45Å; M797-I852 HydrophobicContact SD-CG2 3.6Å; V848-I852 HydrophobicContact CG1-CD1 3.92Å; V848-I852 HydrophobicContact CG1-CG1 4.47Å; V848-I852 WeakPolarHBondContact O-CG1 3.36Å; V848-I852 PolarHBondContact O-N 3.45Å; L849-I852 PolarHBondContact O-N 3.1Å; I852-I854 VanDerWaalsContact C-N 3.33Å; I852-I854 PolarHBondContact O-N 3.05Å; I852-R855 PolarHBondContact O-N 3.07Å; I852-R855 VanDerWaalsContact O-N 3.09Å; I852-T856 PolarHBondContact O-N 3.12Å; I852-T856 PolarHBondContact O-OG1 2.74Å |
| 853 | A | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.8 | -40.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | M797 L849 A850 R855 T856 N857 | M797-A853 HydrophobicContact CG-CB 3.97Å; L849-A853 WeakPolarHBondContact O-CB 2.99Å; L849-A853 PolarHBondContact O-N 3.44Å; A850-A853 PolarHBondContact O-N 2.94Å; A853-R855 VanDerWaalsContact C-N 3.34Å; A853-R855 PolarHBondContact O-N 3.46Å; A853-T856 PolarHBondContact O-N 2.94Å; A853-N857 WeakPolarHBondContact O-CB 3.44Å; A853-N857 VanDerWaalsContact O-CG 3.27Å; A853-N857 PolarHBondContact O-N 2.61Å; A853-N857 PolarHBondContact O-ND2 2.91Å; A853-N857 VanDerWaalsContact O-ND2 3.14Å |
| 854 | I | 91.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 28 Ų | 28 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 175.6 | -66.3 | 167.5 | 0 | 0 | 0 | 110.6 | V482 A850 I852 A858 F943 A947 T951 | V482-I854 HydrophobicContact CG2-CD1 4.43Å; A850-I854 PolarHBondContact O-N 3.42Å; I852-I854 VanDerWaalsContact C-N 3.33Å; I852-I854 PolarHBondContact O-N 3.05Å; I854-A858 PolarHBondContact O-N 3.4Å; I854-F943 HydrophobicContact CG2-CE1 4.27Å; I854-A947 HydrophobicContact CG2-CB 3.53Å; I854-T951 HydrophobicContact CD1-CG2 3.81Å |
| 855 | R | 92.4 | Very high | 91.6 | Very high | 104 Ų | 104 | 24.9 Ų | 24.9 | 39% | 0.392 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -69 | -43.8 | -179.1 | -63.3 | -175.3 | -173.1 | 90.5 | 0.2 | 111.9 | S851 I852 A853 N857 A858 C859 E944 | S851-R855 PolarHBondContact O-NH1 2.97Å; S851-R855 VanDerWaalsContact O-NH1 3.12Å; S851-R855 PolarHBondContact OG-NH1 2.96Å; I852-R855 PolarHBondContact O-N 3.07Å; I852-R855 VanDerWaalsContact O-N 3.09Å; A853-R855 VanDerWaalsContact C-N 3.34Å; A853-R855 PolarHBondContact O-N 3.46Å; R855-N857 PolarHBondContact O-N 3.14Å; R855-A858 PolarHBondContact O-N 3.23Å; R855-C859 PolarHBondContact O-N 3.5Å; R855-C859 PolarHBondContact O-SG 2.88Å; R855-C859 VanDerWaalsContact O-SG 3.35Å; R855-E944 IonicContact CZ-OE1 2.99Å; R855-E944 IonicContact NE-OE1 3.15Å; R855-E944 PolarHBondContact NE-OE1 3.32Å; R855-E944 IonicContact NH2-OE1 3.68Å |
| 856 | T | 93.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 179.3 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | F655 F659 M797 F798 I852 A853 A858 C859 I860 | F655-T856 HydrophobicContact CE1-CG2 3.85Å; F659-T856 HydrophobicContact CE2-CG2 4.46Å; F659-T856 HydrophobicContact CZ-CG2 4.11Å; M797-T856 HydrophobicContact CB-CG2 4.07Å; M797-T856 VanDerWaalsContact O-CG2 3.23Å; M797-T856 WeakPolarHBondContact O-CG2 3.35Å; F798-T856 HydrophobicContact CD1-CG2 4.41Å; F798-T856 HydrophobicContact CE1-CG2 4.02Å; I852-T856 PolarHBondContact O-N 3.12Å; I852-T856 PolarHBondContact O-OG1 2.74Å; A853-T856 PolarHBondContact O-N 2.94Å; T856-A858 PolarHBondContact O-N 3.11Å; T856-C859 PolarHBondContact O-N 3.1Å; T856-I860 HydrophobicContact CG2-CD1 3.71Å; T856-I860 HydrophobicContact CG2-CG1 4.2Å; T856-I860 WeakPolarHBondContact O-CB 3.4Å; T856-I860 VanDerWaalsContact O-CG1 3.29Å; T856-I860 WeakPolarHBondContact O-CG1 3.42Å; T856-I860 PolarHBondContact O-N 3.03Å |
| 857 | N | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.5 | -73.5 | -31.5 | 0 | 0 | 0 | 111.9 | T796 M797 P800 A853 R855 I860 I861 F943 | T796-N857 PolarHBondContact O-ND2 3.08Å; T796-N857 PolarHBondContact O-OD1 3.4Å; M797-N857 PolarHBondContact O-OD1 3.14Å; M797-N857 VanDerWaalsContact O-OD1 3.13Å; P800-N857 WeakPolarHBondContact CD-OD1 3.46Å; P800-N857 HydrophobicContact CG-CB 4.4Å; A853-N857 WeakPolarHBondContact O-CB 3.44Å; A853-N857 VanDerWaalsContact O-CG 3.27Å; A853-N857 PolarHBondContact O-N 2.61Å; A853-N857 PolarHBondContact O-ND2 2.91Å; A853-N857 VanDerWaalsContact O-ND2 3.14Å; R855-N857 PolarHBondContact O-N 3.14Å; N857-I860 PolarHBondContact O-N 2.93Å; N857-I861 WeakPolarHBondContact O-CD1 3.23Å; N857-I861 VanDerWaalsContact O-CG1 3.26Å; N857-I861 WeakPolarHBondContact O-CG1 3.05Å; N857-I861 PolarHBondContact O-N 3.33Å; N857-I861 VanDerWaalsContact O-N 3.14Å; N857-F943 HydrophobicContact CB-CZ 4.5Å |
| 858 | A | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I854 R855 T856 I861 A862 V940 F943 | I854-A858 PolarHBondContact O-N 3.4Å; R855-A858 PolarHBondContact O-N 3.23Å; T856-A858 PolarHBondContact O-N 3.11Å; A858-I861 PolarHBondContact O-N 3.01Å; A858-A862 WeakPolarHBondContact O-CB 3.4Å; A858-A862 PolarHBondContact O-N 3.37Å; A858-V940 HydrophobicContact CB-CG1 4.26Å; A858-F943 HydrophobicContact CB-CB 4.2Å; A858-F943 HydrophobicContact CB-CD1 3.52Å; A858-F943 HydrophobicContact CB-CE1 4.06Å; A858-F943 HydrophobicContact CB-CG 3.97Å |
| 859 | C | 93.1 | Very high | 91.5 | Very high | 33 Ų | 33 | 21.1 Ų | 21.1 | 22% | 0.223 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.9 | -38.2 | -179.4 | -68 | 0 | 0 | 0 | 0 | 112.9 | F659 R855 T856 A862 F863 | F659-C859 HydrophobicContact CD1-CB 4.24Å; F659-C859 HydrophobicContact CE1-CB 3.37Å; F659-C859 HydrophobicContact CZ-CB 3.65Å; R855-C859 PolarHBondContact O-N 3.5Å; R855-C859 PolarHBondContact O-SG 2.88Å; R855-C859 VanDerWaalsContact O-SG 3.35Å; T856-C859 PolarHBondContact O-N 3.1Å; C859-A862 PolarHBondContact O-N 3.21Å; C859-F863 HydrophobicContact CB-CD2 4.3Å; C859-F863 WeakPolarHBondContact O-CB 3.43Å; C859-F863 PolarHBondContact O-N 2.96Å |
| 860 | I | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -63.5 | -46 | 177.7 | -71.6 | 172.1 | 0 | 0 | 0 | 110 | F659 L686 M797 F798 P800 T856 N857 A862 T864 T865 | F659-I860 HydrophobicContact CE1-CG1 4.04Å; F659-I860 HydrophobicContact CZ-CG1 3.97Å; L686-I860 HydrophobicContact CD1-CG2 4.29Å; M797-I860 WeakPolarHBondContact O-CD1 3.27Å; F798-I860 HydrophobicContact CD1-CD1 3.65Å; F798-I860 HydrophobicContact CE1-CD1 4.25Å; P800-I860 HydrophobicContact CB-CG2 3.84Å; P800-I860 HydrophobicContact CG-CB 4.48Å; P800-I860 HydrophobicContact CG-CG2 4.19Å; T856-I860 HydrophobicContact CG2-CD1 3.71Å; T856-I860 HydrophobicContact CG2-CG1 4.2Å; T856-I860 WeakPolarHBondContact O-CB 3.4Å; T856-I860 VanDerWaalsContact O-CG1 3.29Å; T856-I860 WeakPolarHBondContact O-CG1 3.42Å; T856-I860 PolarHBondContact O-N 3.03Å; N857-I860 PolarHBondContact O-N 2.93Å; I860-A862 VanDerWaalsContact C-N 3.33Å; I860-A862 PolarHBondContact O-N 3.38Å; I860-T864 WeakPolarHBondContact O-CA 3.28Å; I860-T864 VanDerWaalsContact O-CB 3.27Å; I860-T864 WeakPolarHBondContact O-CB 3.35Å; I860-T864 PolarHBondContact O-N 2.98Å; I860-T865 HydrophobicContact CG2-CG2 4.44Å; I860-T865 PolarHBondContact O-N 2.83Å |
| 861 | I | 91.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -61.7 | -43.7 | 177.7 | -63.7 | 162 | 0 | 0 | 0 | 110.3 | V471 A474 P800 N857 A858 T865 F867 F939 F943 | V471-I861 HydrophobicContact CG1-CD1 4.35Å; V471-I861 HydrophobicContact CG1-CG2 4.37Å; V471-I861 HydrophobicContact CG2-CG2 4.28Å; A474-I861 HydrophobicContact CB-CD1 3.75Å; P800-I861 HydrophobicContact CB-CG1 4.2Å; P800-I861 HydrophobicContact CG-CD1 4.5Å; P800-I861 HydrophobicContact CG-CG1 4.17Å; N857-I861 WeakPolarHBondContact O-CD1 3.23Å; N857-I861 VanDerWaalsContact O-CG1 3.26Å; N857-I861 WeakPolarHBondContact O-CG1 3.05Å; N857-I861 PolarHBondContact O-N 3.33Å; N857-I861 VanDerWaalsContact O-N 3.14Å; A858-I861 PolarHBondContact O-N 3.01Å; I861-T865 PolarHBondContact O-OG1 3.45Å; I861-F867 HydrophobicContact CG2-CD1 3.73Å; I861-F939 HydrophobicContact CB-CE1 3.84Å; I861-F939 HydrophobicContact CB-CZ 4.23Å; I861-F939 HydrophobicContact CD1-CZ 4.34Å; I861-F939 HydrophobicContact CG2-CD1 4.47Å; I861-F939 HydrophobicContact CG2-CE1 3.56Å; I861-F939 HydrophobicContact CG2-CZ 3.62Å; I861-F943 HydrophobicContact CD1-CE2 4.38Å |
| 862 | A | 92.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -72 | -45.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A858 C859 I860 K936 F939 V940 | A858-A862 WeakPolarHBondContact O-CB 3.4Å; A858-A862 PolarHBondContact O-N 3.37Å; C859-A862 PolarHBondContact O-N 3.21Å; I860-A862 VanDerWaalsContact C-N 3.33Å; I860-A862 PolarHBondContact O-N 3.38Å; A862-K936 HydrophobicContact CB-CB 4.25Å; A862-K936 WeakPolarHBondContact O-CD 3.48Å; A862-K936 WeakPolarHBondContact O-CE 3.28Å; A862-K936 VanDerWaalsContact O-CG 3.31Å; A862-K936 WeakPolarHBondContact O-CG 3.39Å; A862-F939 HydrophobicContact CB-CD1 4.14Å; A862-V940 HydrophobicContact CB-CG2 3.43Å; A862-V940 VanDerWaalsContact CB-CG2 3.43Å |
| 863 | F | 90 | Very high | 92 | Very high | 69 Ų | 69 | 19.6 Ų | 19.6 | 30% | 0.303 | 10% | 0.095 | S | C | . | . | I | π-helix | trans | -106.6 | -24.8 | -167.2 | -65.2 | -68.2 | 0 | 0 | 0 | 114.6 | C859 L933 K936 F937 V940 | C859-F863 HydrophobicContact CB-CD2 4.3Å; C859-F863 WeakPolarHBondContact O-CB 3.43Å; C859-F863 PolarHBondContact O-N 2.96Å; F863-L933 HydrophobicContact CE1-CD1 4.29Å; F863-K936 HydrophobicContact CD1-CD 4.39Å; F863-K936 HydrophobicContact CE1-CB 4.3Å; F863-F937 HydrophobicContact CE1-CZ 4.5Å; F863-F937 HydrophobicContact CZ-CD1 4.22Å; F863-F937 AromaticContact CZ-CE1 3.85Å; F863-F937 HydrophobicContact CZ-CE1 3.85Å; F863-F937 HydrophobicContact CZ-CZ 4.05Å; F863-V940 HydrophobicContact CE2-CG2 4.23Å |
| 864 | T | 89 | Confident | 92.1 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 6% | 0.061 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -101 | -36.4 | -177.3 | -42 | 0 | 0 | 0 | 0 | 112.2 | A658 C685 L686 L689 I860 | A658-T864 PolarHBondContact O-OG1 2.85Å; C685-T864 HydrophobicContact CB-CG2 4.26Å; L686-T864 HydrophobicContact CB-CG2 4.12Å; L686-T864 HydrophobicContact CD1-CG2 3.64Å; L689-T864 HydrophobicContact CD2-CG2 4.25Å; I860-T864 WeakPolarHBondContact O-CA 3.28Å; I860-T864 VanDerWaalsContact O-CB 3.27Å; I860-T864 WeakPolarHBondContact O-CB 3.35Å; I860-T864 PolarHBondContact O-N 2.98Å |
| 865 | T | 88.8 | Confident | 92.2 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -87.4 | 158.3 | 176.6 | 81.1 | 0 | 0 | 0 | 0 | 111.8 | D466 L686 I860 I861 F867 | D466-T865 WeakPolarHBondContact OD2-CB 3.29Å; L686-T865 HydrophobicContact CD1-CG2 4.15Å; L686-T865 HydrophobicContact CD2-CG2 4.12Å; I860-T865 HydrophobicContact CG2-CG2 4.44Å; I860-T865 PolarHBondContact O-N 2.83Å; I861-T865 PolarHBondContact O-OG1 3.45Å; T865-F867 VanDerWaalsContact C-N 3.27Å; T865-F867 WeakPolarHBondContact OG1-CB 3.49Å; T865-F867 PolarHBondContact OG1-N 3.47Å |
| 866 | Q | 88 | Confident | 92.3 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 25% | 0.248 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -90.4 | 10.4 | 174.6 | -69.1 | -175.5 | -23.6 | 0 | 0 | 112.3 | D466 I868 D869 R870 | D466-Q866 PolarHBondContact OD2-N 3.39Å; Q866-I868 PolarHBondContact O-N 3.3Å; Q866-D869 WeakPolarHBondContact O-CB 3.39Å; Q866-D869 PolarHBondContact O-N 2.91Å; Q866-R870 WeakPolarHBondContact O-CG 3.4Å; Q866-R870 PolarHBondContact O-N 3.38Å |
| 867 | F | 90.8 | Very high | 92.3 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 10% | 0.096 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | -176.2 | 171.3 | -116.3 | 0 | 0 | 0 | 113.2 | E468 V471 I861 T865 R870 C871 F939 | E468-F867 VanDerWaalsContact CD-CE2 3.45Å; E468-F867 VanDerWaalsContact OE1-CD2 3.29Å; E468-F867 WeakPolarHBondContact OE1-CD2 3.48Å; E468-F867 VanDerWaalsContact OE1-CE2 3.28Å; E468-F867 WeakPolarHBondContact OE1-CE2 3.45Å; E468-F867 WeakPolarHBondContact OE2-CE2 3.39Å; V471-F867 HydrophobicContact CG1-CD1 4.24Å; V471-F867 HydrophobicContact CG1-CE1 3.9Å; V471-F867 HydrophobicContact CG1-CZ 4.34Å; V471-F867 HydrophobicContact CG2-CB 4.26Å; V471-F867 HydrophobicContact CG2-CD1 3.78Å; V471-F867 HydrophobicContact CG2-CD2 4.06Å; V471-F867 HydrophobicContact CG2-CE1 4.13Å; V471-F867 HydrophobicContact CG2-CE2 4.44Å; V471-F867 HydrophobicContact CG2-CG 3.72Å; V471-F867 HydrophobicContact CG2-CZ 4.45Å; I861-F867 HydrophobicContact CG2-CD1 3.73Å; T865-F867 VanDerWaalsContact C-N 3.27Å; T865-F867 WeakPolarHBondContact OG1-CB 3.49Å; T865-F867 PolarHBondContact OG1-N 3.47Å; F867-R870 PolarHBondContact O-N 2.87Å; F867-C871 WeakPolarHBondContact CE2-SG 3.37Å; F867-C871 VanDerWaalsContact CZ-SG 3.53Å; F867-C871 PolarHBondContact O-N 3.34Å; F867-C871 PolarHBondContact O-SG 3.4Å; F867-C871 VanDerWaalsContact O-SG 3.39Å; F867-F939 HydrophobicContact CE1-CE2 4.45Å |
| 868 | I | 92.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.8 | -39.5 | 179.8 | -57 | -58.8 | 0 | 0 | 0 | 110.9 | Q866 R870 C871 V872 A935 K936 F939 | Q866-I868 PolarHBondContact O-N 3.3Å; I868-R870 VanDerWaalsContact C-N 3.33Å; I868-R870 PolarHBondContact O-N 3.28Å; I868-C871 WeakPolarHBondContact O-CB 3.38Å; I868-C871 PolarHBondContact O-N 2.91Å; I868-V872 HydrophobicContact CG2-CG2 4.34Å; I868-V872 WeakPolarHBondContact O-CG2 3.21Å; I868-V872 PolarHBondContact O-N 3.28Å; I868-A935 HydrophobicContact CG2-CB 3.92Å; I868-K936 HydrophobicContact CB-CG 3.97Å; I868-K936 HydrophobicContact CG1-CG 4.34Å; I868-K936 HydrophobicContact CG2-CG 3.71Å; I868-F939 HydrophobicContact CD1-CB 3.9Å; I868-F939 HydrophobicContact CD1-CD1 4.12Å; I868-F939 HydrophobicContact CD1-CD2 3.76Å; I868-F939 HydrophobicContact CD1-CE2 4.33Å; I868-F939 HydrophobicContact CD1-CG 3.63Å; I868-F939 HydrophobicContact CG1-CG 4.46Å |
| 869 | D | 91.9 | Very high | 92.1 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 174.8 | -58 | -108.4 | 0 | 0 | 0 | 111.1 | Q866 V872 Y873 F886 Y913 V932 K936 | Q866-D869 WeakPolarHBondContact O-CB 3.39Å; Q866-D869 PolarHBondContact O-N 2.91Å; D869-V872 PolarHBondContact O-N 3.38Å; D869-Y873 WeakPolarHBondContact O-CB 3.34Å; D869-Y873 PolarHBondContact O-N 2.77Å; D869-F886 HydrophobicContact CB-CE2 4.42Å; D869-F886 HydrophobicContact CB-CZ 4.26Å; D869-Y913 WeakPolarHBondContact CB-OH 3.27Å; D869-Y913 WeakPolarHBondContact OD1-CE2 3.37Å; D869-Y913 PolarHBondContact OD1-OH 2.95Å; D869-V932 WeakPolarHBondContact OD1-CG1 3.43Å; D869-K936 IonicContact OD1-NZ 2.76Å; D869-K936 PolarHBondContact OD1-NZ 2.96Å; D869-K936 WeakPolarHBondContact OD2-CE 3.41Å; D869-K936 IonicContact OD2-NZ 2.95Å; D869-K936 PolarHBondContact OD2-NZ 3.4Å |
| 870 | R | 92 | Very high | 92 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 174.9 | -68.4 | -171.1 | -55.4 | -139 | -5.5 | 112.3 | I425 R463 D466 E468 Q866 F867 I868 Y873 R874 M883 F886 | I425-R870 HydrophobicContact CD1-CG 4.44Å; R463-R870 VanDerWaalsContact CD-NH1 3.33Å; D466-R870 PolarHBondContact O-NH1 2.93Å; D466-R870 PolarHBondContact O-NH2 2.97Å; D466-R870 IonicContact OD1-CZ 2.85Å; D466-R870 IonicContact OD1-NH1 2.71Å; D466-R870 IonicContact OD1-NH2 3.77Å; D466-R870 PolarHBondContact OD1-NH2 3.19Å; E468-R870 IonicContact OE1-NH2 2.89Å; Q866-R870 WeakPolarHBondContact O-CG 3.4Å; Q866-R870 PolarHBondContact O-N 3.38Å; F867-R870 PolarHBondContact O-N 2.87Å; I868-R870 VanDerWaalsContact C-N 3.33Å; I868-R870 PolarHBondContact O-N 3.28Å; R870-Y873 PolarHBondContact O-N 3.45Å; R870-R874 VanDerWaalsContact O-CB 3.3Å; R870-R874 WeakPolarHBondContact O-CB 3.33Å; R870-R874 PolarHBondContact O-N 3.46Å; R870-M883 HydrophobicContact CB-CE 3.62Å; R870-M883 HydrophobicContact CB-SD 4.39Å; R870-M883 HydrophobicContact CG-CE 3.56Å; R870-F886 HydrophobicContact CB-CE2 4.41Å; R870-F886 HydrophobicContact CG-CD2 4.49Å; R870-F886 HydrophobicContact CG-CE1 3.98Å; R870-F886 HydrophobicContact CG-CE2 3.91Å; R870-F886 HydrophobicContact CG-CZ 3.62Å |
| 871 | C | 93.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 176.9 | -75.3 | 0 | 0 | 0 | 0 | 111.7 | F867 I868 Y873 R874 Y875 | F867-C871 WeakPolarHBondContact CE2-SG 3.37Å; F867-C871 VanDerWaalsContact CZ-SG 3.53Å; F867-C871 PolarHBondContact O-N 3.34Å; F867-C871 PolarHBondContact O-SG 3.4Å; F867-C871 VanDerWaalsContact O-SG 3.39Å; I868-C871 WeakPolarHBondContact O-CB 3.38Å; I868-C871 PolarHBondContact O-N 2.91Å; C871-Y873 VanDerWaalsContact C-N 3.33Å; C871-Y873 PolarHBondContact O-N 3.33Å; C871-R874 PolarHBondContact O-N 3.3Å; C871-Y875 HydrophobicContact CB-CD2 4.35Å; C871-Y875 HydrophobicContact CB-CE2 4.45Å; C871-Y875 WeakPolarHBondContact O-CD2 3.23Å; C871-Y875 PolarHBondContact O-N 2.92Å |
| 872 | V | 95.2 | Very high | 91.8 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 179.5 | 171 | 0 | 0 | 0 | 0 | 110.8 | I868 D869 T876 Y877 H931 V932 A935 | I868-V872 HydrophobicContact CG2-CG2 4.34Å; I868-V872 WeakPolarHBondContact O-CG2 3.21Å; I868-V872 PolarHBondContact O-N 3.28Å; D869-V872 PolarHBondContact O-N 3.38Å; V872-T876 VanDerWaalsContact O-CB 3.27Å; V872-T876 WeakPolarHBondContact O-CB 3.42Å; V872-T876 PolarHBondContact O-N 3.44Å; V872-T876 PolarHBondContact O-OG1 2.92Å; V872-Y877 HydrophobicContact CG1-CD2 4.05Å; V872-Y877 HydrophobicContact CG1-CE2 3.74Å; V872-H931 WeakPolarHBondContact CG1-ND1 3.38Å; V872-V932 HydrophobicContact CB-CG2 4.28Å; V872-V932 HydrophobicContact CG1-CG2 3.89Å; V872-A935 HydrophobicContact CG2-CB 3.65Å |
| 873 | Y | 94.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -59.9 | -52.2 | 175.1 | 179.5 | -106 | 0 | 0 | 0 | 111.7 | D869 R870 C871 Y875 Y877 S878 M883 K884 G885 F886 F889 | D869-Y873 WeakPolarHBondContact O-CB 3.34Å; D869-Y873 PolarHBondContact O-N 2.77Å; R870-Y873 PolarHBondContact O-N 3.45Å; C871-Y873 VanDerWaalsContact C-N 3.33Å; C871-Y873 PolarHBondContact O-N 3.33Å; Y873-Y875 PolarHBondContact O-N 2.88Å; Y873-Y877 CarbonylContact O-C 3.47Å; Y873-Y877 PolarHBondContact O-N 3.46Å; Y873-S878 WeakPolarHBondContact O-CB 3.45Å; Y873-S878 PolarHBondContact O-N 2.86Å; Y873-M883 HydrophobicContact CD1-CE 4.36Å; Y873-K884 PolarHBondContact OH-O 3.41Å; Y873-G885 VanDerWaalsContact OH-C 3.23Å; Y873-G885 PolarHBondContact OH-O 2.83Å; Y873-F886 HydrophobicContact CD1-CB 3.99Å; Y873-F886 AromaticContact CD1-CD2 3.74Å; Y873-F886 HydrophobicContact CD1-CD2 3.74Å; Y873-F886 HydrophobicContact CD1-CG 4.35Å; Y873-F886 HydrophobicContact CD2-CD2 4.45Å; Y873-F886 HydrophobicContact CE1-CB 3.93Å; Y873-F886 HydrophobicContact CE1-CD2 4.48Å; Y873-F886 AromaticContact CG-CD2 3.72Å; Y873-F886 HydrophobicContact CG-CD2 3.72Å; Y873-F886 HydrophobicContact CG-CE2 4.49Å; Y873-F889 HydrophobicContact CD2-CB 3.77Å; Y873-F889 AromaticContact CD2-CD1 3.48Å; Y873-F889 HydrophobicContact CD2-CD1 3.48Å; Y873-F889 VanDerWaalsContact CD2-CD1 3.48Å; Y873-F889 AromaticContact CD2-CD2 3.77Å; Y873-F889 HydrophobicContact CD2-CD2 3.77Å; Y873-F889 AromaticContact CD2-CE1 3.91Å; Y873-F889 HydrophobicContact CD2-CE1 3.91Å; Y873-F889 HydrophobicContact CD2-CE2 4.17Å; Y873-F889 AromaticContact CD2-CG 3.39Å; Y873-F889 HydrophobicContact CD2-CG 3.39Å; Y873-F889 HydrophobicContact CD2-CZ 4.22Å; Y873-F889 HydrophobicContact CE2-CB 3.53Å; Y873-F889 HydrophobicContact CE2-CD1 4.17Å; Y873-F889 AromaticContact CE2-CD2 3.94Å; Y873-F889 HydrophobicContact CE2-CD2 3.94Å; Y873-F889 AromaticContact CE2-CG 3.63Å; Y873-F889 HydrophobicContact CE2-CG 3.63Å; Y873-F889 HydrophobicContact CG-CD1 4.19Å; Y873-F889 HydrophobicContact CG-CG 4.46Å |
| 874 | R | 94.2 | Very high | 91.8 | Very high | 124 Ų | 124 | 56 Ų | 56 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -61 | -41.3 | -175.9 | -172 | 176.1 | -176.3 | -177.9 | -3.6 | 113.4 | R870 C871 G881 M883 | R870-R874 VanDerWaalsContact O-CB 3.3Å; R870-R874 WeakPolarHBondContact O-CB 3.33Å; R870-R874 PolarHBondContact O-N 3.46Å; C871-R874 PolarHBondContact O-N 3.3Å; R874-G881 WeakPolarHBondContact CG-O 3.11Å; R874-G881 PolarHBondContact NE-O 2.91Å; R874-G881 VanDerWaalsContact NE-O 3.1Å; R874-M883 HydrophobicContact CB-SD 4.05Å; R874-M883 HydrophobicContact CG-SD 4.45Å |
| 875 | Y | 93.8 | Very high | 91.8 | Very high | 180 Ų | 180 | 56.8 Ų | 56.8 | 71% | 0.706 | 29% | 0.293 | S | S | * | . | I | π-helix | trans | -91.5 | -22.6 | -173.9 | -67.6 | -61 | 0 | 0 | 0 | 114.3 | C871 Y873 | C871-Y875 HydrophobicContact CB-CD2 4.35Å; C871-Y875 HydrophobicContact CB-CE2 4.45Å; C871-Y875 WeakPolarHBondContact O-CD2 3.23Å; C871-Y875 PolarHBondContact O-N 2.92Å; Y873-Y875 PolarHBondContact O-N 2.88Å |
| 876 | T | 94.2 | Very high | 92 | Very high | 82 Ų | 82 | 56.6 Ų | 56.6 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -117.3 | -36.6 | -173.4 | -51.1 | 0 | 0 | 0 | 0 | 113.8 | V872 | V872-T876 VanDerWaalsContact O-CB 3.27Å; V872-T876 WeakPolarHBondContact O-CB 3.42Å; V872-T876 PolarHBondContact O-N 3.44Å; V872-T876 PolarHBondContact O-OG1 2.92Å |
| 877 | Y | 93.5 | Very high | 92.1 | Very high | 81 Ų | 81 | 54.6 Ų | 54.6 | 32% | 0.318 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -113.6 | -20.2 | -169.8 | -64.4 | -77.4 | 0 | 0 | 0 | 114.3 | V872 Y873 F889 I928 H931 | V872-Y877 HydrophobicContact CG1-CD2 4.05Å; V872-Y877 HydrophobicContact CG1-CE2 3.74Å; Y873-Y877 CarbonylContact O-C 3.47Å; Y873-Y877 PolarHBondContact O-N 3.46Å; Y877-F889 AromaticContact CD1-CE2 3.97Å; Y877-F889 HydrophobicContact CD1-CE2 3.97Å; Y877-F889 AromaticContact CD2-CE2 3.77Å; Y877-F889 HydrophobicContact CD2-CE2 3.77Å; Y877-F889 AromaticContact CD2-CZ 3.56Å; Y877-F889 HydrophobicContact CD2-CZ 3.56Å; Y877-F889 HydrophobicContact CE1-CE2 4.46Å; Y877-F889 HydrophobicContact CE2-CE2 4.26Å; Y877-F889 AromaticContact CE2-CZ 3.91Å; Y877-F889 HydrophobicContact CE2-CZ 3.91Å; Y877-F889 AromaticContact CG-CE2 3.6Å; Y877-F889 HydrophobicContact CG-CE2 3.6Å; Y877-F889 AromaticContact CG-CZ 3.91Å; Y877-F889 HydrophobicContact CG-CZ 3.91Å; Y877-I928 HydrophobicContact CE1-CG1 4.11Å; Y877-I928 HydrophobicContact CE2-CG2 4.31Å; Y877-H931 AromaticContact CE2-ND1 3.93Å |
| 878 | S | 93 | Very high | 92.1 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | trans | -76.7 | 123.6 | 179.9 | -178 | 0 | 0 | 0 | 0 | 110.6 | Y873 D880 G881 T882 | Y873-S878 WeakPolarHBondContact O-CB 3.45Å; Y873-S878 PolarHBondContact O-N 2.86Å; S878-D880 VanDerWaalsContact C-N 3.33Å; S878-D880 PolarHBondContact O-N 2.96Å; S878-G881 PolarHBondContact OG-N 3.27Å; S878-T882 WeakPolarHBondContact CB-O 3.47Å; S878-T882 PolarHBondContact OG-N 3.44Å; S878-T882 VanDerWaalsContact OG-N 3.13Å; S878-T882 PolarHBondContact OG-O 3.18Å | ||
| 879 | P | 90.1 | Very high | 92.1 | Very high | 117 Ų | 117 | 59.3 Ų | 59.3 | 76% | 0.76 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -66.7 | -34.7 | -179.6 | 25.7 | -33.2 | 0 | 0 | 0 | 112.6 | ||
| 880 | D | 90.9 | Very high | 92 | Very high | 128 Ų | 128 | 59.2 Ų | 59.2 | 68% | 0.684 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -103.2 | -0.3 | -175.6 | -58.8 | -29.8 | 0 | 0 | 0 | 112.9 | S878 T882 | S878-D880 VanDerWaalsContact C-N 3.33Å; S878-D880 PolarHBondContact O-N 2.96Å; D880-T882 HydrophobicContact CB-CG2 3.95Å; D880-T882 PolarHBondContact O-N 3.37Å |
| 881 | G | 88.9 | Confident | 92 | Very high | 28 Ų | 28 | 59.5 Ų | 59.5 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 65.5 | 16.4 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | R874 S878 | R874-G881 WeakPolarHBondContact CG-O 3.11Å; R874-G881 PolarHBondContact NE-O 2.91Å; R874-G881 VanDerWaalsContact NE-O 3.1Å; S878-G881 PolarHBondContact OG-N 3.27Å |
| 882 | T | 91.5 | Very high | 91.9 | Very high | 54 Ų | 54 | 58.3 Ų | 58.3 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -98.7 | 163.8 | 176.4 | 72.6 | 0 | 0 | 0 | 0 | 111.4 | S878 D880 K884 | S878-T882 WeakPolarHBondContact CB-O 3.47Å; S878-T882 PolarHBondContact OG-N 3.44Å; S878-T882 VanDerWaalsContact OG-N 3.13Å; S878-T882 PolarHBondContact OG-O 3.18Å; D880-T882 HydrophobicContact CB-CG2 3.95Å; D880-T882 PolarHBondContact O-N 3.37Å; T882-K884 PolarHBondContact O-N 3.31Å |
| 883 | M | 90 | Very high | 91.8 | Very high | 35 Ų | 35 | 61.5 Ų | 61.5 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -83.5 | 5.8 | 177.2 | -67.3 | -54.9 | -58.4 | 0 | 0 | 113.5 | S424 I425 R870 Y873 R874 F886 | S424-M883 WeakPolarHBondContact OG-CB 3.38Å; I425-M883 HydrophobicContact CD1-CE 4Å; R870-M883 HydrophobicContact CB-CE 3.62Å; R870-M883 HydrophobicContact CB-SD 4.39Å; R870-M883 HydrophobicContact CG-CE 3.56Å; Y873-M883 HydrophobicContact CD1-CE 4.36Å; R874-M883 HydrophobicContact CB-SD 4.05Å; R874-M883 HydrophobicContact CG-SD 4.45Å; M883-F886 HydrophobicContact CE-CB 3.97Å; M883-F886 HydrophobicContact CE-CD1 4.33Å; M883-F886 HydrophobicContact CE-CD2 3.81Å; M883-F886 HydrophobicContact CE-CE2 4.4Å; M883-F886 HydrophobicContact CE-CG 3.76Å; M883-F886 WeakPolarHBondContact O-CB 3.18Å; M883-F886 PolarHBondContact O-N 2.97Å |
| 884 | K | 91 | Very high | 91.6 | Very high | 146 Ų | 146 | 60.8 Ų | 60.8 | 64% | 0.635 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 129.5 | 178.2 | -67.4 | -177.5 | 178.7 | 179.1 | 0 | 110.3 | E428 Y873 T882 | E428-K884 VanDerWaalsContact OE1-CA 3.28Å; E428-K884 WeakPolarHBondContact OE1-CA 3.36Å; Y873-K884 PolarHBondContact OH-O 3.41Å; T882-K884 PolarHBondContact O-N 3.31Å |
| 885 | G | 90.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 4.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E428 Y873 V887 N888 F889 | E428-G885 PolarHBondContact OE1-N 2.87Å; Y873-G885 VanDerWaalsContact OH-C 3.23Å; Y873-G885 PolarHBondContact OH-O 2.83Å; G885-V887 PolarHBondContact O-N 3.44Å; G885-N888 PolarHBondContact O-N 2.85Å; G885-F889 PolarHBondContact O-N 3.41Å; G885-F889 VanDerWaalsContact O-N 3.09Å |
| 886 | F | 92.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | -180 | 175.8 | -105.9 | 0 | 0 | 0 | 111.8 | I425 E428 D869 R870 Y873 M883 N888 F889 T890 | I425-F886 HydrophobicContact CD1-CD1 3.75Å; I425-F886 HydrophobicContact CD1-CE1 4.21Å; I425-F886 HydrophobicContact CD1-CG 4.44Å; I425-F886 HydrophobicContact CG1-CD1 4.11Å; E428-F886 PolarHBondContact OE2-N 3.1Å; D869-F886 HydrophobicContact CB-CE2 4.42Å; D869-F886 HydrophobicContact CB-CZ 4.26Å; R870-F886 HydrophobicContact CB-CE2 4.41Å; R870-F886 HydrophobicContact CG-CD2 4.49Å; R870-F886 HydrophobicContact CG-CE1 3.98Å; R870-F886 HydrophobicContact CG-CE2 3.91Å; R870-F886 HydrophobicContact CG-CZ 3.62Å; Y873-F886 HydrophobicContact CD1-CB 3.99Å; Y873-F886 AromaticContact CD1-CD2 3.74Å; Y873-F886 HydrophobicContact CD1-CD2 3.74Å; Y873-F886 HydrophobicContact CD1-CG 4.35Å; Y873-F886 HydrophobicContact CD2-CD2 4.45Å; Y873-F886 HydrophobicContact CE1-CB 3.93Å; Y873-F886 HydrophobicContact CE1-CD2 4.48Å; Y873-F886 AromaticContact CG-CD2 3.72Å; Y873-F886 HydrophobicContact CG-CD2 3.72Å; Y873-F886 HydrophobicContact CG-CE2 4.49Å; M883-F886 HydrophobicContact CE-CB 3.97Å; M883-F886 HydrophobicContact CE-CD1 4.33Å; M883-F886 HydrophobicContact CE-CD2 3.81Å; M883-F886 HydrophobicContact CE-CE2 4.4Å; M883-F886 HydrophobicContact CE-CG 3.76Å; M883-F886 WeakPolarHBondContact O-CB 3.18Å; M883-F886 PolarHBondContact O-N 2.97Å; F886-N888 VanDerWaalsContact C-N 3.31Å; F886-N888 PolarHBondContact O-N 3.3Å; F886-F889 WeakPolarHBondContact O-CB 3.27Å; F886-F889 PolarHBondContact O-N 3.05Å; F886-F889 VanDerWaalsContact O-N 3.08Å; F886-T890 HydrophobicContact CD1-CG2 4.4Å; F886-T890 HydrophobicContact CD2-CG2 4.27Å; F886-T890 HydrophobicContact CE1-CG2 3.89Å; F886-T890 HydrophobicContact CE2-CG2 3.75Å; F886-T890 HydrophobicContact CZ-CG2 3.54Å; F886-T890 PolarHBondContact O-N 2.96Å; F886-T890 PolarHBondContact O-OG1 3.29Å |
| 887 | V | 90.2 | Very high | 90.7 | Very high | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | -178.5 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | I425 E428 V429 L452 G885 F889 T890 L891 | I425-V887 HydrophobicContact CG2-CG2 3.98Å; E428-V887 HydrophobicContact CB-CB 4.26Å; E428-V887 HydrophobicContact CB-CG2 3.82Å; E428-V887 WeakPolarHBondContact OE2-CB 3.18Å; E428-V887 WeakPolarHBondContact OE2-CG2 3.48Å; E428-V887 PolarHBondContact OE2-N 3.09Å; E428-V887 VanDerWaalsContact OE2-N 3.12Å; V429-V887 HydrophobicContact CG2-CG2 4.03Å; L452-V887 HydrophobicContact CD2-CG1 3.72Å; G885-V887 PolarHBondContact O-N 3.44Å; V887-F889 VanDerWaalsContact C-N 3.3Å; V887-F889 PolarHBondContact O-N 3Å; V887-T890 PolarHBondContact O-N 3.29Å; V887-T890 PolarHBondContact O-OG1 2.91Å; V887-L891 HydrophobicContact CG1-CD1 3.66Å; V887-L891 HydrophobicContact CG1-CG 4.4Å; V887-L891 WeakPolarHBondContact O-CD1 3.43Å; V887-L891 WeakPolarHBondContact O-CG 3.39Å; V887-L891 PolarHBondContact O-N 3.33Å |
| 888 | N | 90.6 | Very high | 90.2 | Very high | 90 Ų | 90 | 49.5 Ų | 49.5 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.6 | -29.2 | 177.4 | -168.2 | 31.4 | 0 | 0 | 0 | 112.6 | G885 F886 R909 | G885-N888 PolarHBondContact O-N 2.85Å; F886-N888 VanDerWaalsContact C-N 3.31Å; F886-N888 PolarHBondContact O-N 3.3Å; N888-R909 PolarHBondContact OD1-NH1 3.37Å; N888-R909 VanDerWaalsContact OD1-NH1 3.08Å; N888-R909 PolarHBondContact OD1-NH2 3.39Å; N888-R909 VanDerWaalsContact OD1-NH2 3.09Å |
| 889 | F | 91.7 | Very high | 89.7 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.6 | -38.2 | 174.2 | 169.6 | -96.3 | 0 | 0 | 0 | 112.7 | Y873 Y877 G885 F886 V887 Y913 I928 | Y873-F889 HydrophobicContact CD2-CB 3.77Å; Y873-F889 AromaticContact CD2-CD1 3.48Å; Y873-F889 HydrophobicContact CD2-CD1 3.48Å; Y873-F889 VanDerWaalsContact CD2-CD1 3.48Å; Y873-F889 AromaticContact CD2-CD2 3.77Å; Y873-F889 HydrophobicContact CD2-CD2 3.77Å; Y873-F889 AromaticContact CD2-CE1 3.91Å; Y873-F889 HydrophobicContact CD2-CE1 3.91Å; Y873-F889 HydrophobicContact CD2-CE2 4.17Å; Y873-F889 AromaticContact CD2-CG 3.39Å; Y873-F889 HydrophobicContact CD2-CG 3.39Å; Y873-F889 HydrophobicContact CD2-CZ 4.22Å; Y873-F889 HydrophobicContact CE2-CB 3.53Å; Y873-F889 HydrophobicContact CE2-CD1 4.17Å; Y873-F889 AromaticContact CE2-CD2 3.94Å; Y873-F889 HydrophobicContact CE2-CD2 3.94Å; Y873-F889 AromaticContact CE2-CG 3.63Å; Y873-F889 HydrophobicContact CE2-CG 3.63Å; Y873-F889 HydrophobicContact CG-CD1 4.19Å; Y873-F889 HydrophobicContact CG-CG 4.46Å; Y877-F889 AromaticContact CD1-CE2 3.97Å; Y877-F889 HydrophobicContact CD1-CE2 3.97Å; Y877-F889 AromaticContact CD2-CE2 3.77Å; Y877-F889 HydrophobicContact CD2-CE2 3.77Å; Y877-F889 AromaticContact CD2-CZ 3.56Å; Y877-F889 HydrophobicContact CD2-CZ 3.56Å; Y877-F889 HydrophobicContact CE1-CE2 4.46Å; Y877-F889 HydrophobicContact CE2-CE2 4.26Å; Y877-F889 AromaticContact CE2-CZ 3.91Å; Y877-F889 HydrophobicContact CE2-CZ 3.91Å; Y877-F889 AromaticContact CG-CE2 3.6Å; Y877-F889 HydrophobicContact CG-CE2 3.6Å; Y877-F889 AromaticContact CG-CZ 3.91Å; Y877-F889 HydrophobicContact CG-CZ 3.91Å; G885-F889 PolarHBondContact O-N 3.41Å; G885-F889 VanDerWaalsContact O-N 3.09Å; F886-F889 WeakPolarHBondContact O-CB 3.27Å; F886-F889 PolarHBondContact O-N 3.05Å; F886-F889 VanDerWaalsContact O-N 3.08Å; V887-F889 VanDerWaalsContact C-N 3.3Å; V887-F889 PolarHBondContact O-N 3Å; F889-Y913 HydrophobicContact CD1-CE1 4.18Å; F889-Y913 AromaticContact CE1-CE1 3.73Å; F889-Y913 HydrophobicContact CE1-CE1 3.73Å; F889-Y913 HydrophobicContact CZ-CE1 4.36Å; F889-I928 HydrophobicContact CE1-CG2 4.22Å; F889-I928 HydrophobicContact CE2-CD1 3.98Å; F889-I928 HydrophobicContact CE2-CG2 3.93Å; F889-I928 HydrophobicContact CZ-CG2 3.4Å; F889-I928 VanDerWaalsContact CZ-CG2 3.4Å |
| 890 | T | 91.2 | Very high | 89.2 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -76.4 | -24.1 | -179.3 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | F886 V887 S912 Y913 | F886-T890 HydrophobicContact CD1-CG2 4.4Å; F886-T890 HydrophobicContact CD2-CG2 4.27Å; F886-T890 HydrophobicContact CE1-CG2 3.89Å; F886-T890 HydrophobicContact CE2-CG2 3.75Å; F886-T890 HydrophobicContact CZ-CG2 3.54Å; F886-T890 PolarHBondContact O-N 2.96Å; F886-T890 PolarHBondContact O-OG1 3.29Å; V887-T890 PolarHBondContact O-N 3.29Å; V887-T890 PolarHBondContact O-OG1 2.91Å; T890-S912 PolarHBondContact O-N 2.93Å; T890-Y913 HydrophobicContact CG2-CE1 4.43Å |
| 891 | L | 90.8 | Very high | 88.4 | Confident | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.2 | -172.7 | -69.4 | 170.5 | 0 | 0 | 0 | 113.1 | I436 M438 L452 V887 R909 D911 | I436-L891 HydrophobicContact CG2-CD1 4.18Å; M438-L891 HydrophobicContact CE-CD1 3.71Å; M438-L891 HydrophobicContact CE-CD2 4.06Å; M438-L891 HydrophobicContact SD-CD2 4.07Å; L452-L891 HydrophobicContact CD2-CD1 4.34Å; V887-L891 HydrophobicContact CG1-CD1 3.66Å; V887-L891 HydrophobicContact CG1-CG 4.4Å; V887-L891 WeakPolarHBondContact O-CD1 3.43Å; V887-L891 WeakPolarHBondContact O-CG 3.39Å; V887-L891 PolarHBondContact O-N 3.33Å; L891-R909 HydrophobicContact CB-CB 4.33Å; L891-R909 HydrophobicContact CD1-CB 4.5Å; L891-R909 PolarHBondContact O-NH1 3.37Å; L891-D911 HydrophobicContact CD2-CB 4.48Å |
| 892 | S | 91.5 | Very high | 87.9 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 151.7 | 172 | -72.6 | 0 | 0 | 0 | 0 | 112.8 | R909 Y910 S912 R914 | S892-R909 VanDerWaalsContact O-CA 3.26Å; S892-R909 WeakPolarHBondContact O-CA 3.36Å; S892-Y910 PolarHBondContact N-O 3.24Å; S892-Y910 WeakPolarHBondContact O-CD1 3.3Å; S892-Y910 PolarHBondContact O-N 3.01Å; S892-S912 VanDerWaalsContact OG-C 3.25Å; S892-S912 PolarHBondContact OG-O 2.99Å; S892-R914 PolarHBondContact OG-N 3.24Å; S892-R914 PolarHBondContact OG-O 3.31Å; S892-R914 VanDerWaalsContact OG-O 3.12Å |
| 893 | Y | 92.5 | Very high | 87.3 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 31% | 0.306 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 144.2 | 173.3 | -68.2 | -99 | 0 | 0 | 0 | 111.9 | R909 W918 | Y893-R909 VanDerWaalsContact CZ-NH1 3.34Å; Y893-R909 VanDerWaalsContact OH-CZ 3.28Å; Y893-R909 PolarHBondContact OH-NH2 3.38Å; Y893-W918 AromaticContact CD1-CH2 3.76Å; Y893-W918 HydrophobicContact CD1-CH2 3.76Å; Y893-W918 HydrophobicContact CD1-CZ3 4.14Å; Y893-W918 AromaticContact CD2-CH2 3.63Å; Y893-W918 HydrophobicContact CD2-CH2 3.63Å; Y893-W918 HydrophobicContact CD2-CZ2 4.24Å; Y893-W918 HydrophobicContact CE1-CH2 4.05Å; Y893-W918 AromaticContact CE2-CH2 3.94Å; Y893-W918 HydrophobicContact CE2-CH2 3.94Å; Y893-W918 HydrophobicContact CE2-CZ2 4.41Å; Y893-W918 AromaticContact CG-CH2 3.5Å; Y893-W918 HydrophobicContact CG-CH2 3.5Å; Y893-W918 HydrophobicContact CG-CZ3 4.03Å |
| 894 | M | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 140.2 | 175.6 | -177.3 | 70.4 | 73.7 | 0 | 0 | 109.9 | V667 P668 F899 Y907 C908 Y910 Y923 | V667-M894 HydrophobicContact CG1-CE 3.3Å; P668-M894 HydrophobicContact CB-CE 4.46Å; M894-F899 HydrophobicContact CG-CE2 4.05Å; M894-F899 HydrophobicContact CG-CZ 4.48Å; M894-Y907 CarbonylContact O-C 3.56Å; M894-Y907 VanDerWaalsContact O-CA 3.28Å; M894-Y907 WeakPolarHBondContact O-CA 3.45Å; M894-C908 PolarHBondContact N-O 3.14Å; M894-C908 PolarHBondContact O-N 3.49Å; M894-Y910 HydrophobicContact CB-CD1 3.87Å; M894-Y910 HydrophobicContact CB-CE1 3.84Å; M894-Y910 HydrophobicContact CE-CD1 4.11Å; M894-Y910 HydrophobicContact CE-CE1 3.58Å; M894-Y910 HydrophobicContact CE-CE2 4.42Å; M894-Y923 HydrophobicContact CE-CD1 4.12Å; M894-Y923 HydrophobicContact CE-CE1 4.1Å; M894-Y923 HydrophobicContact SD-CD1 3.86Å; M894-Y923 HydrophobicContact SD-CE1 3.25Å; M894-Y923 WeakPolarHBondContact SD-CE1 3.42Å |
| 895 | S | 90.5 | Very high | 86.7 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.2 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | T897 R898 | S895-T897 PolarHBondContact O-N 2.94Å; S895-T897 PolarHBondContact OG-OG1 3.13Å; S895-R898 PolarHBondContact O-N 3.2Å |
| 896 | T | 87.7 | Confident | 86.6 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -68.5 | -19.1 | 178 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | F449 R898 F899 T903 E905 T906 C908 | F449-T896 HydrophobicContact CE1-CG2 4Å; F449-T896 HydrophobicContact CZ-CG2 4.05Å; T896-R898 PolarHBondContact O-N 2.83Å; T896-F899 PolarHBondContact O-N 3.43Å; T896-T903 HydrophobicContact CG2-CG2 3.85Å; T896-E905 WeakPolarHBondContact CB-O 3.4Å; T896-E905 VanDerWaalsContact CG2-O 3.23Å; T896-E905 WeakPolarHBondContact CG2-O 3.44Å; T896-E905 PolarHBondContact OG1-O 2.93Å; T896-T906 PolarHBondContact N-O 3.06Å; T896-T906 VanDerWaalsContact N-O 3.1Å; T896-T906 PolarHBondContact OG1-O 2.97Å; T896-T906 VanDerWaalsContact OG1-O 3.08Å; T896-C908 HydrophobicContact CG2-CB 4.17Å |
| 897 | T | 85.8 | Confident | 86.5 | Confident | 121 Ų | 121 | 57.7 Ų | 57.7 | 74% | 0.742 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -59.5 | -11.9 | 174.9 | 60 | 0 | 0 | 0 | 0 | 114.7 | S895 F899 | S895-T897 PolarHBondContact O-N 2.94Å; S895-T897 PolarHBondContact OG-OG1 3.13Å; T897-F899 VanDerWaalsContact C-N 3.31Å |
| 898 | R | 83.7 | Confident | 86.6 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -79.8 | -11.8 | 176.2 | -159 | 173.3 | -176.6 | 156.4 | 3.5 | 113.5 | P668 G669 S895 T896 | P668-R898 WeakPolarHBondContact O-CD 3.41Å; G669-R898 PolarHBondContact O-NE 3.12Å; S895-R898 PolarHBondContact O-N 3.2Å; T896-R898 PolarHBondContact O-N 2.83Å |
| 899 | F | 82 | Confident | 86.6 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -117.8 | 144.1 | -175.1 | -54.4 | -85.9 | 0 | 0 | 0 | 111 | C439 P440 F449 P668 M894 T896 T897 V901 | C439-F899 HydrophobicContact CB-CE2 4.23Å; C439-F899 HydrophobicContact CB-CZ 3.93Å; P440-F899 HydrophobicContact CG-CD1 3.69Å; P440-F899 HydrophobicContact CG-CE1 4Å; P440-F899 HydrophobicContact CG-CG 4.08Å; P440-F899 WeakPolarHBondContact O-CE1 3.4Å; F449-F899 HydrophobicContact CE1-CD2 4.5Å; F449-F899 HydrophobicContact CZ-CB 4.42Å; F449-F899 HydrophobicContact CZ-CD2 4.44Å; P668-F899 HydrophobicContact CB-CE1 4.2Å; P668-F899 HydrophobicContact CB-CZ 3.74Å; M894-F899 HydrophobicContact CG-CE2 4.05Å; M894-F899 HydrophobicContact CG-CZ 4.48Å; T896-F899 PolarHBondContact O-N 3.43Å; T897-F899 VanDerWaalsContact C-N 3.31Å; F899-V901 HydrophobicContact CB-CG2 4.37Å; F899-V901 PolarHBondContact O-N 3.42Å; F899-V901 VanDerWaalsContact O-N 3.08Å |
| 900 | D | 79.3 | Confident | 86.4 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -85.1 | 29.9 | 179.8 | -53.6 | -36.4 | 0 | 0 | 0 | 111.8 | K443 S445 | K443-D900 PolarHBondContact O-N 3.07Å; S445-D900 WeakPolarHBondContact CB-O 3.45Å |
| 901 | V | 74.5 | Confident | 86.1 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -111.5 | 123.6 | -171.7 | -177.6 | 0 | 0 | 0 | 0 | 109 | C447 F449 F899 T903 | C447-V901 VanDerWaalsContact O-CG1 3.23Å; C447-V901 WeakPolarHBondContact O-CG1 3.33Å; C447-V901 WeakPolarHBondContact O-CG2 3.41Å; F449-V901 HydrophobicContact CD2-CB 4.3Å; F449-V901 HydrophobicContact CD2-CG1 3.7Å; F449-V901 HydrophobicContact CE2-CB 3.63Å; F449-V901 HydrophobicContact CE2-CG1 3.52Å; F449-V901 HydrophobicContact CZ-CB 4.33Å; F899-V901 HydrophobicContact CB-CG2 4.37Å; F899-V901 PolarHBondContact O-N 3.42Å; F899-V901 VanDerWaalsContact O-N 3.08Å; V901-T903 PolarHBondContact O-N 2.63Å |
| 902 | P | 77.2 | Confident | 85.8 | Confident | 123 Ų | 123 | 55.7 Ų | 55.7 | 80% | 0.799 | 30% | 0.295 | S | S | * | . | trans | -66.2 | 126.1 | 179.1 | 26.3 | -32.5 | 0 | 0 | 0 | 110.7 | ||||
| 903 | T | 78.8 | Confident | 85.7 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | trans | -148.4 | 148.7 | 174 | -179.6 | 0 | 0 | 0 | 0 | 110 | F449 T896 V901 E905 | F449-T903 HydrophobicContact CD2-CG2 4.09Å; F449-T903 HydrophobicContact CE2-CG2 3.39Å; F449-T903 HydrophobicContact CZ-CG2 3.67Å; T896-T903 HydrophobicContact CG2-CG2 3.85Å; V901-T903 PolarHBondContact O-N 2.63Å; T903-E905 VanDerWaalsContact C-N 3.3Å; T903-E905 WeakPolarHBondContact CG2-O 3.34Å; T903-E905 PolarHBondContact OG1-N 3.04Å | ||
| 904 | N | 83.7 | Confident | 85.7 | Confident | 169 Ų | 169 | 55.1 Ų | 55.1 | 90% | 0.904 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -81.5 | -14.5 | 173.4 | -68.6 | -10 | 0 | 0 | 0 | 112.1 | ||
| 905 | E | 84.8 | Confident | 85.8 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | trans | -83.8 | 135.1 | -177.6 | -62.6 | -65.9 | 163.7 | 0 | 0 | 111.1 | Y437 T896 T903 | Y437-E905 HydrophobicContact CD1-CG 4.39Å; Y437-E905 HydrophobicContact CD2-CG 3.6Å; Y437-E905 HydrophobicContact CE1-CG 4.32Å; Y437-E905 HydrophobicContact CE2-CG 3.51Å; Y437-E905 WeakPolarHBondContact CE2-OE1 3.37Å; Y437-E905 HydrophobicContact CG-CG 4.03Å; T896-E905 WeakPolarHBondContact CB-O 3.4Å; T896-E905 VanDerWaalsContact CG2-O 3.23Å; T896-E905 WeakPolarHBondContact CG2-O 3.44Å; T896-E905 PolarHBondContact OG1-O 2.93Å; T903-E905 VanDerWaalsContact C-N 3.3Å; T903-E905 WeakPolarHBondContact CG2-O 3.34Å; T903-E905 PolarHBondContact OG1-N 3.04Å | ||
| 906 | T | 89.1 | Confident | 85.9 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -78.6 | -27.5 | 179.4 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | T896 | T896-T906 PolarHBondContact N-O 3.06Å; T896-T906 VanDerWaalsContact N-O 3.1Å; T896-T906 PolarHBondContact OG1-O 2.97Å; T896-T906 VanDerWaalsContact OG1-O 3.08Å |
| 907 | Y | 91.2 | Very high | 86 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.4 | -176.8 | -55.3 | -68.9 | 0 | 0 | 0 | 111.8 | M894 P917 W918 | M894-Y907 CarbonylContact O-C 3.56Å; M894-Y907 VanDerWaalsContact O-CA 3.28Å; M894-Y907 WeakPolarHBondContact O-CA 3.45Å; Y907-P917 HydrophobicContact CD1-CG 3.81Å; Y907-P917 HydrophobicContact CE1-CG 3.59Å; Y907-W918 HydrophobicContact CD1-CZ3 4.34Å; Y907-W918 HydrophobicContact CE1-CE3 4.19Å; Y907-W918 HydrophobicContact CE1-CZ3 4.12Å; Y907-W918 HydrophobicContact CE2-CZ3 4.36Å |
| 908 | C | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 160.9 | 165.8 | 65 | 0 | 0 | 0 | 0 | 109.9 | Y437 C439 F449 M894 T896 | Y437-C908 CarbonylContact O-C 3.59Å; Y437-C908 WeakPolarHBondContact O-CA 3.43Å; C439-C908 VanDerWaalsContact CA-SG 3.53Å; C439-C908 HydrophobicContact CB-CB 4.01Å; C439-C908 WeakPolarHBondContact CB-SG 3.44Å; C439-C908 VanDerWaalsContact SG-C 3.5Å; C439-C908 WeakPolarHBondContact SG-CB 3.43Å; C439-C908 CovalentContact SG-SG 2.04Å; C439-C908 PolarHBondContact SG-SG 3.45Å; F449-C908 HydrophobicContact CD1-CB 4.18Å; F449-C908 HydrophobicContact CE1-CB 3.98Å; M894-C908 PolarHBondContact N-O 3.14Å; M894-C908 PolarHBondContact O-N 3.49Å; T896-C908 HydrophobicContact CG2-CB 4.17Å |
| 909 | R | 90.9 | Very high | 86.6 | Confident | 34 Ų | 34 | 57 Ų | 57 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 153.2 | 180 | -61.4 | -69.5 | -163.6 | 122.5 | 16.4 | 111.4 | I436 Y437 M438 C439 N888 L891 S892 Y893 | I436-R909 HydrophobicContact CG2-CB 4.22Å; I436-R909 HydrophobicContact CG2-CG 3.74Å; Y437-R909 PolarHBondContact O-N 3.46Å; M438-R909 WeakPolarHBondContact CA-O 3.45Å; M438-R909 HydrophobicContact CE-CB 3.47Å; M438-R909 VanDerWaalsContact CE-CB 3.47Å; M438-R909 HydrophobicContact CE-CG 4.25Å; M438-R909 HydrophobicContact SD-CB 4.03Å; C439-R909 PolarHBondContact N-O 3.11Å; C439-R909 PolarHBondContact SG-O 2.86Å; C439-R909 VanDerWaalsContact SG-O 3.36Å; N888-R909 PolarHBondContact OD1-NH1 3.37Å; N888-R909 VanDerWaalsContact OD1-NH1 3.08Å; N888-R909 PolarHBondContact OD1-NH2 3.39Å; N888-R909 VanDerWaalsContact OD1-NH2 3.09Å; L891-R909 HydrophobicContact CB-CB 4.33Å; L891-R909 HydrophobicContact CD1-CB 4.5Å; L891-R909 PolarHBondContact O-NH1 3.37Å; S892-R909 VanDerWaalsContact O-CA 3.26Å; S892-R909 WeakPolarHBondContact O-CA 3.36Å; Y893-R909 VanDerWaalsContact CZ-NH1 3.34Å; Y893-R909 VanDerWaalsContact OH-CZ 3.28Å; Y893-R909 PolarHBondContact OH-NH2 3.38Å |
| 910 | Y | 87.1 | Confident | 87.1 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 7% | 0.071 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 151.1 | 171.9 | 68 | -72.2 | 0 | 0 | 0 | 110.4 | P668 S892 M894 S912 R914 | P668-Y910 HydrophobicContact CG-CD2 4.15Å; P668-Y910 HydrophobicContact CG-CG 4.13Å; S892-Y910 PolarHBondContact N-O 3.24Å; S892-Y910 WeakPolarHBondContact O-CD1 3.3Å; S892-Y910 PolarHBondContact O-N 3.01Å; M894-Y910 HydrophobicContact CB-CD1 3.87Å; M894-Y910 HydrophobicContact CB-CE1 3.84Å; M894-Y910 HydrophobicContact CE-CD1 4.11Å; M894-Y910 HydrophobicContact CE-CE1 3.58Å; M894-Y910 HydrophobicContact CE-CE2 4.42Å; Y910-S912 PolarHBondContact O-N 3.03Å; Y910-R914 WeakPolarHBondContact OH-CB 3.43Å; Y910-R914 WeakPolarHBondContact OH-CD 3.39Å |
| 911 | D | 85.3 | Confident | 87.6 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 108 | -179.6 | -174.3 | 16.2 | 0 | 0 | 0 | 110.8 | L891 | L891-D911 HydrophobicContact CD2-CB 4.48Å |
| 912 | S | 85.1 | Confident | 88.2 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -175.9 | 160.3 | 179.1 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | T890 S892 Y910 R914 | T890-S912 PolarHBondContact O-N 2.93Å; S892-S912 VanDerWaalsContact OG-C 3.25Å; S892-S912 PolarHBondContact OG-O 2.99Å; Y910-S912 PolarHBondContact O-N 3.03Å; S912-R914 VanDerWaalsContact OG-CD 3.29Å; S912-R914 WeakPolarHBondContact OG-CD 3.25Å; S912-R914 VanDerWaalsContact OG-CG 3.27Å; S912-R914 WeakPolarHBondContact OG-CG 3.41Å; S912-R914 PolarHBondContact OG-NE 3.35Å |
| 913 | Y | 89.7 | Confident | 88.7 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 9% | 0.09 | 33% | 0.325 | C | S | . | . | trans | -103.8 | 55.7 | 172.5 | -60 | -73 | 0 | 0 | 0 | 111.6 | D869 F889 T890 T926 I928 Y929 V932 | D869-Y913 WeakPolarHBondContact CB-OH 3.27Å; D869-Y913 WeakPolarHBondContact OD1-CE2 3.37Å; D869-Y913 PolarHBondContact OD1-OH 2.95Å; F889-Y913 HydrophobicContact CD1-CE1 4.18Å; F889-Y913 AromaticContact CE1-CE1 3.73Å; F889-Y913 HydrophobicContact CE1-CE1 3.73Å; F889-Y913 HydrophobicContact CZ-CE1 4.36Å; T890-Y913 HydrophobicContact CG2-CE1 4.43Å; Y913-T926 WeakPolarHBondContact O-CB 3.4Å; Y913-T926 PolarHBondContact O-N 2.85Å; Y913-T926 PolarHBondContact O-OG1 3.13Å; Y913-I928 HydrophobicContact CD1-CG2 3.77Å; Y913-I928 HydrophobicContact CE1-CG2 4.15Å; Y913-I928 HydrophobicContact CG-CG2 4.41Å; Y913-Y929 HydrophobicContact CD2-CD2 4.19Å; Y913-V932 HydrophobicContact CE2-CG1 4.46Å | ||
| 914 | R | 91.1 | Very high | 89.2 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -108.3 | 151.2 | -175.4 | -79.3 | 170.4 | -169.3 | -85.2 | 3.5 | 112.4 | S892 Y910 S912 Y923 V924 F925 | S892-R914 PolarHBondContact OG-N 3.24Å; S892-R914 PolarHBondContact OG-O 3.31Å; S892-R914 VanDerWaalsContact OG-O 3.12Å; Y910-R914 WeakPolarHBondContact OH-CB 3.43Å; Y910-R914 WeakPolarHBondContact OH-CD 3.39Å; S912-R914 VanDerWaalsContact OG-CD 3.29Å; S912-R914 WeakPolarHBondContact OG-CD 3.25Å; S912-R914 VanDerWaalsContact OG-CG 3.27Å; S912-R914 WeakPolarHBondContact OG-CG 3.41Å; S912-R914 PolarHBondContact OG-NE 3.35Å; R914-Y923 WeakPolarHBondContact CD-O 3.28Å; R914-Y923 WeakPolarHBondContact CG-O 3.38Å; R914-Y923 PolarHBondContact NH1-O 3.41Å; R914-V924 CarbonylContact C-O 3.5Å; R914-V924 VanDerWaalsContact CA-O 3.22Å; R914-V924 WeakPolarHBondContact CA-O 3.47Å; R914-F925 HydrophobicContact CG-CD1 3.97Å; R914-F925 HydrophobicContact CG-CE1 4.27Å |
| 915 | S | 92.4 | Very high | 89.5 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | trans | -64 | 141.1 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | S919 E921 Y923 V924 | S915-S919 VanDerWaalsContact CB-OG 3.31Å; S915-S919 WeakPolarHBondContact CB-OG 3.46Å; S915-E921 WeakPolarHBondContact CB-O 3.16Å; S915-Y923 PolarHBondContact O-N 2.94Å; S915-Y923 VanDerWaalsContact O-N 3.08Å; S915-V924 PolarHBondContact N-O 3.1Å; S915-V924 PolarHBondContact OG-O 3.43Å | ||
| 916 | P | 92.9 | Very high | 89.8 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | trans | -68.9 | 164.8 | -178.2 | 30.5 | -36.8 | 0 | 0 | 0 | 112.2 | W918 S919 | P916-W918 HydrophobicContact CB-CD2 3.74Å; P916-W918 VanDerWaalsContact CB-CE2 3.4Å; P916-W918 HydrophobicContact CB-CE3 4.01Å; P916-W918 HydrophobicContact CB-CG 4.44Å; P916-W918 HydrophobicContact CB-CH2 3.68Å; P916-W918 HydrophobicContact CB-CZ2 3.37Å; P916-W918 HydrophobicContact CB-CZ3 3.98Å; P916-W918 HydrophobicContact CG-CD2 4.09Å; P916-W918 VanDerWaalsContact CG-CE2 3.49Å; P916-W918 HydrophobicContact CG-CG 4.4Å; P916-W918 HydrophobicContact CG-CZ2 3.75Å; P916-W918 PolarHBondContact O-N 2.87Å; P916-W918 VanDerWaalsContact O-N 3.11Å; P916-S919 PolarHBondContact O-N 3.48Å; P916-S919 VanDerWaalsContact O-N 3.1Å; P916-S919 PolarHBondContact O-OG 3.02Å | ||
| 917 | P | 90.8 | Very high | 90 | Very high | 30 Ų | 30 | 56.8 Ų | 56.8 | 20% | 0.195 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.7 | -176.5 | 23 | -32.7 | 0 | 0 | 0 | 114.7 | Y907 Y923 | Y907-P917 HydrophobicContact CD1-CG 3.81Å; Y907-P917 HydrophobicContact CE1-CG 3.59Å; P917-Y923 HydrophobicContact CB-CE1 4.31Å |
| 918 | W | 91.3 | Very high | 90 | Very high | 147 Ų | 147 | 54.3 Ų | 54.3 | 56% | 0.557 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 1.1 | 177.8 | 57.4 | 83.5 | 0 | 0 | 0 | 114.3 | Y893 Y907 P916 | Y893-W918 AromaticContact CD1-CH2 3.76Å; Y893-W918 HydrophobicContact CD1-CH2 3.76Å; Y893-W918 HydrophobicContact CD1-CZ3 4.14Å; Y893-W918 AromaticContact CD2-CH2 3.63Å; Y893-W918 HydrophobicContact CD2-CH2 3.63Å; Y893-W918 HydrophobicContact CD2-CZ2 4.24Å; Y893-W918 HydrophobicContact CE1-CH2 4.05Å; Y893-W918 AromaticContact CE2-CH2 3.94Å; Y893-W918 HydrophobicContact CE2-CH2 3.94Å; Y893-W918 HydrophobicContact CE2-CZ2 4.41Å; Y893-W918 AromaticContact CG-CH2 3.5Å; Y893-W918 HydrophobicContact CG-CH2 3.5Å; Y893-W918 HydrophobicContact CG-CZ3 4.03Å; Y907-W918 HydrophobicContact CD1-CZ3 4.34Å; Y907-W918 HydrophobicContact CE1-CE3 4.19Å; Y907-W918 HydrophobicContact CE1-CZ3 4.12Å; Y907-W918 HydrophobicContact CE2-CZ3 4.36Å; P916-W918 HydrophobicContact CB-CD2 3.74Å; P916-W918 VanDerWaalsContact CB-CE2 3.4Å; P916-W918 HydrophobicContact CB-CE3 4.01Å; P916-W918 HydrophobicContact CB-CG 4.44Å; P916-W918 HydrophobicContact CB-CH2 3.68Å; P916-W918 HydrophobicContact CB-CZ2 3.37Å; P916-W918 HydrophobicContact CB-CZ3 3.98Å; P916-W918 HydrophobicContact CG-CD2 4.09Å; P916-W918 VanDerWaalsContact CG-CE2 3.49Å; P916-W918 HydrophobicContact CG-CG 4.4Å; P916-W918 HydrophobicContact CG-CZ2 3.75Å; P916-W918 PolarHBondContact O-N 2.87Å; P916-W918 VanDerWaalsContact O-N 3.11Å |
| 919 | S | 91.6 | Very high | 90.1 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -75.8 | 158.6 | 173.6 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | S915 P916 E921 | S915-S919 VanDerWaalsContact CB-OG 3.31Å; S915-S919 WeakPolarHBondContact CB-OG 3.46Å; P916-S919 PolarHBondContact O-N 3.48Å; P916-S919 VanDerWaalsContact O-N 3.1Å; P916-S919 PolarHBondContact O-OG 3.02Å; S919-E921 PolarHBondContact O-N 3.48Å; S919-E921 VanDerWaalsContact OG-C 3.29Å; S919-E921 PolarHBondContact OG-O 3.16Å; S919-E921 VanDerWaalsContact OG-O 3.11Å |
| 920 | S | 91.1 | Very high | 90.3 | Very high | 127 Ų | 127 | 62.8 Ų | 62.8 | 89% | 0.888 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -56 | -31.6 | 175.7 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 921 | E | 89.7 | Confident | 90.6 | Very high | 127 Ų | 127 | 65.7 Ų | 65.7 | 59% | 0.593 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -124.9 | 84.3 | 177 | -65 | -170.1 | 150.5 | 0 | 0 | 110.3 | S915 S919 V924 | S915-E921 WeakPolarHBondContact CB-O 3.16Å; S919-E921 PolarHBondContact O-N 3.48Å; S919-E921 VanDerWaalsContact OG-C 3.29Å; S919-E921 PolarHBondContact OG-O 3.16Å; S919-E921 VanDerWaalsContact OG-O 3.11Å; E921-V924 HydrophobicContact CB-CB 4.46Å; E921-V924 HydrophobicContact CB-CG2 3.94Å |
| 922 | P | 87.9 | Confident | 91 | Very high | 59 Ų | 59 | 63.2 Ų | 63.2 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 143.1 | -173.6 | 28.5 | -35.2 | 0 | 0 | 0 | 111.8 | V924 | P922-V924 PolarHBondContact O-N 3.09Å; P922-V924 VanDerWaalsContact O-N 3.17Å |
| 923 | Y | 86.5 | Confident | 91.4 | Very high | 50 Ų | 50 | 64.5 Ų | 64.5 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 8 | 175.6 | -41.5 | -60.5 | 0 | 0 | 0 | 116.3 | M894 R914 S915 P917 | M894-Y923 HydrophobicContact CE-CD1 4.12Å; M894-Y923 HydrophobicContact CE-CE1 4.1Å; M894-Y923 HydrophobicContact SD-CD1 3.86Å; M894-Y923 HydrophobicContact SD-CE1 3.25Å; M894-Y923 WeakPolarHBondContact SD-CE1 3.42Å; R914-Y923 WeakPolarHBondContact CD-O 3.28Å; R914-Y923 WeakPolarHBondContact CG-O 3.38Å; R914-Y923 PolarHBondContact NH1-O 3.41Å; S915-Y923 PolarHBondContact O-N 2.94Å; S915-Y923 VanDerWaalsContact O-N 3.08Å; P917-Y923 HydrophobicContact CB-CE1 4.31Å |
| 924 | V | 90 | Very high | 91.7 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -76 | 152.8 | 171 | -178 | 0 | 0 | 0 | 0 | 110 | R914 S915 E921 P922 | R914-V924 CarbonylContact C-O 3.5Å; R914-V924 VanDerWaalsContact CA-O 3.22Å; R914-V924 WeakPolarHBondContact CA-O 3.47Å; S915-V924 PolarHBondContact N-O 3.1Å; S915-V924 PolarHBondContact OG-O 3.43Å; E921-V924 HydrophobicContact CB-CB 4.46Å; E921-V924 HydrophobicContact CB-CG2 3.94Å; P922-V924 PolarHBondContact O-N 3.09Å; P922-V924 VanDerWaalsContact O-N 3.17Å |
| 925 | F | 89.4 | Confident | 92 | Very high | 65 Ų | 65 | 64.5 Ų | 64.5 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -64.9 | 135.8 | 174.6 | -71.7 | -67.9 | 0 | 0 | 0 | 111.2 | R914 Y929 Y930 | R914-F925 HydrophobicContact CG-CD1 3.97Å; R914-F925 HydrophobicContact CG-CE1 4.27Å; F925-Y929 HydrophobicContact CB-CD1 3.93Å; F925-Y929 HydrophobicContact CB-CG 4.1Å; F925-Y929 AromaticContact CD1-CD1 3.89Å; F925-Y929 HydrophobicContact CD1-CD1 3.89Å; F925-Y929 AromaticContact CD1-CD2 3.69Å; F925-Y929 HydrophobicContact CD1-CD2 3.69Å; F925-Y929 HydrophobicContact CD1-CE1 4.22Å; F925-Y929 HydrophobicContact CD1-CE2 4.04Å; F925-Y929 AromaticContact CD1-CG 3.61Å; F925-Y929 HydrophobicContact CD1-CG 3.61Å; F925-Y929 HydrophobicContact CD2-CD1 4.48Å; F925-Y929 HydrophobicContact CD2-CE1 4.43Å; F925-Y929 HydrophobicContact CE1-CD1 4.49Å; F925-Y929 AromaticContact CE1-CD2 3.88Å; F925-Y929 HydrophobicContact CE1-CD2 3.88Å; F925-Y929 HydrophobicContact CE1-CE1 4.42Å; F925-Y929 AromaticContact CE1-CE2 3.8Å; F925-Y929 HydrophobicContact CE1-CE2 3.8Å; F925-Y929 HydrophobicContact CE1-CG 4.24Å; F925-Y929 AromaticContact CG-CD1 3.87Å; F925-Y929 HydrophobicContact CG-CD1 3.87Å; F925-Y929 HydrophobicContact CG-CD2 4.49Å; F925-Y929 HydrophobicContact CG-CE1 4.22Å; F925-Y929 HydrophobicContact CG-CG 4.02Å; F925-Y929 HydrophobicContact CZ-CE2 4.38Å; F925-Y930 HydrophobicContact CB-CE2 4.12Å |
| 926 | T | 92.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 64.8 Ų | 64.8 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 165.2 | 178.1 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | Y913 I928 Y929 Y930 | Y913-T926 WeakPolarHBondContact O-CB 3.4Å; Y913-T926 PolarHBondContact O-N 2.85Å; Y913-T926 PolarHBondContact O-OG1 3.13Å; T926-I928 PolarHBondContact O-N 2.79Å; T926-Y929 VanDerWaalsContact O-CB 3.28Å; T926-Y929 WeakPolarHBondContact O-CB 3.43Å; T926-Y929 PolarHBondContact O-N 3.03Å; T926-Y930 WeakPolarHBondContact O-CD2 3.41Å |
| 927 | S | 92 | Very high | 92.2 | Very high | 99 Ų | 99 | 67.7 Ų | 67.7 | 69% | 0.692 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -56.4 | -30.3 | 171.1 | -175.6 | 0 | 0 | 0 | 0 | 112.6 | Y929 Y930 H931 | S927-Y929 VanDerWaalsContact C-N 3.3Å; S927-Y929 PolarHBondContact O-N 3.16Å; S927-Y930 PolarHBondContact O-N 3.25Å; S927-H931 PolarHBondContact O-N 3.35Å |
| 928 | I | 93 | Very high | 92.5 | Very high | 47 Ų | 47 | 71.5 Ų | 71.5 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 176.3 | -58.4 | 169.5 | 0 | 0 | 0 | 110.9 | Y877 F889 Y913 T926 Y930 H931 V932 | Y877-I928 HydrophobicContact CE1-CG1 4.11Å; Y877-I928 HydrophobicContact CE2-CG2 4.31Å; F889-I928 HydrophobicContact CE1-CG2 4.22Å; F889-I928 HydrophobicContact CE2-CD1 3.98Å; F889-I928 HydrophobicContact CE2-CG2 3.93Å; F889-I928 HydrophobicContact CZ-CG2 3.4Å; F889-I928 VanDerWaalsContact CZ-CG2 3.4Å; Y913-I928 HydrophobicContact CD1-CG2 3.77Å; Y913-I928 HydrophobicContact CE1-CG2 4.15Å; Y913-I928 HydrophobicContact CG-CG2 4.41Å; T926-I928 PolarHBondContact O-N 2.79Å; I928-Y930 PolarHBondContact O-N 2.9Å; I928-H931 PolarHBondContact O-N 2.98Å; I928-V932 HydrophobicContact CG2-CG2 4.37Å; I928-V932 WeakPolarHBondContact O-CG2 3.15Å; I928-V932 PolarHBondContact O-N 2.72Å |
| 929 | Y | 92.2 | Very high | 92.7 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 29% | 0.286 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.2 | -50.2 | 176.6 | 176.6 | -102.7 | 0 | 0 | 0 | 111.6 | Y913 F925 T926 S927 H931 V932 L933 | Y913-Y929 HydrophobicContact CD2-CD2 4.19Å; F925-Y929 HydrophobicContact CB-CD1 3.93Å; F925-Y929 HydrophobicContact CB-CG 4.1Å; F925-Y929 AromaticContact CD1-CD1 3.89Å; F925-Y929 HydrophobicContact CD1-CD1 3.89Å; F925-Y929 AromaticContact CD1-CD2 3.69Å; F925-Y929 HydrophobicContact CD1-CD2 3.69Å; F925-Y929 HydrophobicContact CD1-CE1 4.22Å; F925-Y929 HydrophobicContact CD1-CE2 4.04Å; F925-Y929 AromaticContact CD1-CG 3.61Å; F925-Y929 HydrophobicContact CD1-CG 3.61Å; F925-Y929 HydrophobicContact CD2-CD1 4.48Å; F925-Y929 HydrophobicContact CD2-CE1 4.43Å; F925-Y929 HydrophobicContact CE1-CD1 4.49Å; F925-Y929 AromaticContact CE1-CD2 3.88Å; F925-Y929 HydrophobicContact CE1-CD2 3.88Å; F925-Y929 HydrophobicContact CE1-CE1 4.42Å; F925-Y929 AromaticContact CE1-CE2 3.8Å; F925-Y929 HydrophobicContact CE1-CE2 3.8Å; F925-Y929 HydrophobicContact CE1-CG 4.24Å; F925-Y929 AromaticContact CG-CD1 3.87Å; F925-Y929 HydrophobicContact CG-CD1 3.87Å; F925-Y929 HydrophobicContact CG-CD2 4.49Å; F925-Y929 HydrophobicContact CG-CE1 4.22Å; F925-Y929 HydrophobicContact CG-CG 4.02Å; F925-Y929 HydrophobicContact CZ-CE2 4.38Å; T926-Y929 VanDerWaalsContact O-CB 3.28Å; T926-Y929 WeakPolarHBondContact O-CB 3.43Å; T926-Y929 PolarHBondContact O-N 3.03Å; S927-Y929 VanDerWaalsContact C-N 3.3Å; S927-Y929 PolarHBondContact O-N 3.16Å; Y929-H931 VanDerWaalsContact C-N 3.33Å; Y929-H931 PolarHBondContact O-N 3.39Å; Y929-V932 PolarHBondContact O-N 3.34Å; Y929-L933 HydrophobicContact CE1-CD2 4.04Å; Y929-L933 VanDerWaalsContact O-CB 3.29Å; Y929-L933 WeakPolarHBondContact O-CB 3.35Å; Y929-L933 PolarHBondContact O-N 3.48Å |
| 930 | Y | 94.3 | Very high | 92.8 | Very high | 138 Ų | 138 | 65.4 Ų | 65.4 | 54% | 0.541 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.4 | -33.6 | -178.7 | -67.2 | -75.9 | 0 | 0 | 0 | 112.1 | F925 T926 S927 I928 L933 A934 | F925-Y930 HydrophobicContact CB-CE2 4.12Å; T926-Y930 WeakPolarHBondContact O-CD2 3.41Å; S927-Y930 PolarHBondContact O-N 3.25Å; I928-Y930 PolarHBondContact O-N 2.9Å; Y930-L933 PolarHBondContact O-N 3.26Å; Y930-A934 WeakPolarHBondContact O-CB 3.43Å; Y930-A934 PolarHBondContact O-N 3.44Å |
| 931 | H | 95.1 | Very high | 93 | Very high | 79 Ų | 79 | 65.5 Ų | 65.5 | 37% | 0.366 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 173.9 | -173.1 | -107.5 | 0 | 0 | 0 | 111.9 | V872 Y877 S927 I928 Y929 L933 A934 A935 | V872-H931 WeakPolarHBondContact CG1-ND1 3.38Å; Y877-H931 AromaticContact CE2-ND1 3.93Å; S927-H931 PolarHBondContact O-N 3.35Å; I928-H931 PolarHBondContact O-N 2.98Å; Y929-H931 VanDerWaalsContact C-N 3.33Å; Y929-H931 PolarHBondContact O-N 3.39Å; H931-L933 PolarHBondContact O-N 3.46Å; H931-A934 PolarHBondContact O-N 3.04Å; H931-A935 PolarHBondContact O-N 3.4Å |
| 932 | V | 93.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 175.2 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | D869 V872 Y913 I928 Y929 A934 A935 K936 | D869-V932 WeakPolarHBondContact OD1-CG1 3.43Å; V872-V932 HydrophobicContact CB-CG2 4.28Å; V872-V932 HydrophobicContact CG1-CG2 3.89Å; Y913-V932 HydrophobicContact CE2-CG1 4.46Å; I928-V932 HydrophobicContact CG2-CG2 4.37Å; I928-V932 WeakPolarHBondContact O-CG2 3.15Å; I928-V932 PolarHBondContact O-N 2.72Å; Y929-V932 PolarHBondContact O-N 3.34Å; V932-A934 PolarHBondContact O-N 2.96Å; V932-A935 PolarHBondContact O-N 3.43Å; V932-K936 HydrophobicContact CG1-CD 4.16Å; V932-K936 WeakPolarHBondContact O-CG 3.25Å; V932-K936 PolarHBondContact O-N 2.89Å |
| 933 | L | 93.2 | Very high | 93.4 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 178.4 | -176 | 63.7 | 0 | 0 | 0 | 112 | F863 Y929 Y930 H931 K936 F937 | F863-L933 HydrophobicContact CE1-CD1 4.29Å; Y929-L933 HydrophobicContact CE1-CD2 4.04Å; Y929-L933 VanDerWaalsContact O-CB 3.29Å; Y929-L933 WeakPolarHBondContact O-CB 3.35Å; Y929-L933 PolarHBondContact O-N 3.48Å; Y930-L933 PolarHBondContact O-N 3.26Å; H931-L933 PolarHBondContact O-N 3.46Å; L933-K936 WeakPolarHBondContact O-CB 3.36Å; L933-K936 PolarHBondContact O-N 2.88Å; L933-F937 HydrophobicContact CD1-CD2 4.15Å; L933-F937 HydrophobicContact CD1-CE2 3.64Å; L933-F937 HydrophobicContact CD2-CE2 4.38Å; L933-F937 HydrophobicContact CG-CD2 4.08Å; L933-F937 HydrophobicContact CG-CE2 3.8Å; L933-F937 VanDerWaalsContact O-CD2 3.27Å; L933-F937 WeakPolarHBondContact O-CD2 3.38Å; L933-F937 PolarHBondContact O-N 3.3Å; L933-F937 VanDerWaalsContact O-N 3.1Å |
| 934 | A | 96.1 | Very high | 93.6 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y930 H931 V932 K936 F937 I938 | Y930-A934 WeakPolarHBondContact O-CB 3.43Å; Y930-A934 PolarHBondContact O-N 3.44Å; H931-A934 PolarHBondContact O-N 3.04Å; V932-A934 PolarHBondContact O-N 2.96Å; A934-K936 VanDerWaalsContact C-N 3.31Å; A934-K936 PolarHBondContact O-N 3.46Å; A934-F937 PolarHBondContact O-N 2.69Å; A934-I938 VanDerWaalsContact O-CG1 3.28Å; A934-I938 WeakPolarHBondContact O-CG1 3.45Å; A934-I938 PolarHBondContact O-N 3.22Å |
| 935 | A | 96.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | I868 V872 H931 V932 I938 F939 | I868-A935 HydrophobicContact CG2-CB 3.92Å; V872-A935 HydrophobicContact CG2-CB 3.65Å; H931-A935 PolarHBondContact O-N 3.4Å; V932-A935 PolarHBondContact O-N 3.43Å; A935-I938 PolarHBondContact O-N 3.33Å; A935-F939 WeakPolarHBondContact O-CB 3.44Å; A935-F939 PolarHBondContact O-N 2.96Å |
| 936 | K | 95.1 | Very high | 93.8 | Very high | 29 Ų | 29 | 63 Ų | 63 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 175.1 | -73.3 | 176.2 | 174.4 | -175.1 | 0 | 111.8 | A862 F863 I868 D869 V932 L933 A934 F939 V940 | A862-K936 HydrophobicContact CB-CB 4.25Å; A862-K936 WeakPolarHBondContact O-CD 3.48Å; A862-K936 WeakPolarHBondContact O-CE 3.28Å; A862-K936 VanDerWaalsContact O-CG 3.31Å; A862-K936 WeakPolarHBondContact O-CG 3.39Å; F863-K936 HydrophobicContact CD1-CD 4.39Å; F863-K936 HydrophobicContact CE1-CB 4.3Å; I868-K936 HydrophobicContact CB-CG 3.97Å; I868-K936 HydrophobicContact CG1-CG 4.34Å; I868-K936 HydrophobicContact CG2-CG 3.71Å; D869-K936 IonicContact OD1-NZ 2.76Å; D869-K936 PolarHBondContact OD1-NZ 2.96Å; D869-K936 WeakPolarHBondContact OD2-CE 3.41Å; D869-K936 IonicContact OD2-NZ 2.95Å; D869-K936 PolarHBondContact OD2-NZ 3.4Å; V932-K936 HydrophobicContact CG1-CD 4.16Å; V932-K936 WeakPolarHBondContact O-CG 3.25Å; V932-K936 PolarHBondContact O-N 2.89Å; L933-K936 WeakPolarHBondContact O-CB 3.36Å; L933-K936 PolarHBondContact O-N 2.88Å; A934-K936 VanDerWaalsContact C-N 3.31Å; A934-K936 PolarHBondContact O-N 3.46Å; K936-F939 PolarHBondContact O-N 3.46Å; K936-V940 WeakPolarHBondContact O-CG2 3.19Å; K936-V940 PolarHBondContact O-N 3.36Å; K936-V940 VanDerWaalsContact O-N 3.09Å |
| 937 | F | 95.7 | Very high | 93.6 | Very high | 94 Ų | 94 | 61.8 Ų | 61.8 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 177.1 | -78.6 | -66.6 | 0 | 0 | 0 | 112.7 | F863 L933 A934 F939 V940 F941 | F863-F937 HydrophobicContact CE1-CZ 4.5Å; F863-F937 HydrophobicContact CZ-CD1 4.22Å; F863-F937 AromaticContact CZ-CE1 3.85Å; F863-F937 HydrophobicContact CZ-CE1 3.85Å; F863-F937 HydrophobicContact CZ-CZ 4.05Å; L933-F937 HydrophobicContact CD1-CD2 4.15Å; L933-F937 HydrophobicContact CD1-CE2 3.64Å; L933-F937 HydrophobicContact CD2-CE2 4.38Å; L933-F937 HydrophobicContact CG-CD2 4.08Å; L933-F937 HydrophobicContact CG-CE2 3.8Å; L933-F937 VanDerWaalsContact O-CD2 3.27Å; L933-F937 WeakPolarHBondContact O-CD2 3.38Å; L933-F937 PolarHBondContact O-N 3.3Å; L933-F937 VanDerWaalsContact O-N 3.1Å; A934-F937 PolarHBondContact O-N 2.69Å; F937-F939 VanDerWaalsContact C-N 3.27Å; F937-F939 PolarHBondContact O-N 3.21Å; F937-V940 PolarHBondContact O-N 2.91Å; F937-V940 VanDerWaalsContact O-N 3.16Å; F937-F941 HydrophobicContact CB-CD2 4.42Å; F937-F941 HydrophobicContact CB-CE2 4.22Å; F937-F941 HydrophobicContact CD1-CE2 4.38Å; F937-F941 WeakPolarHBondContact O-CD2 3.47Å; F937-F941 PolarHBondContact O-N 2.85Å |
| 938 | I | 96.2 | Very high | 93.4 | Very high | 110 Ų | 110 | 59.6 Ų | 59.6 | 56% | 0.564 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -57.7 | -43.5 | 176.5 | -68.8 | 166.6 | 0 | 0 | 0 | 110.3 | A934 A935 T942 | A934-I938 VanDerWaalsContact O-CG1 3.28Å; A934-I938 WeakPolarHBondContact O-CG1 3.45Å; A934-I938 PolarHBondContact O-N 3.22Å; A935-I938 PolarHBondContact O-N 3.33Å; I938-T942 HydrophobicContact CG2-CG2 4.29Å; I938-T942 WeakPolarHBondContact O-CB 3.27Å; I938-T942 VanDerWaalsContact O-CG2 3.25Å; I938-T942 WeakPolarHBondContact O-CG2 3.36Å; I938-T942 PolarHBondContact O-N 2.89Å; I938-T942 PolarHBondContact O-OG1 3.32Å |
| 939 | F | 94.7 | Very high | 93.2 | Very high | 40 Ų | 40 | 62 Ų | 62 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 175.6 | 175.9 | -93.5 | 0 | 0 | 0 | 112.4 | I861 A862 F867 I868 A935 K936 F937 F941 T942 F943 | I861-F939 HydrophobicContact CB-CE1 3.84Å; I861-F939 HydrophobicContact CB-CZ 4.23Å; I861-F939 HydrophobicContact CD1-CZ 4.34Å; I861-F939 HydrophobicContact CG2-CD1 4.47Å; I861-F939 HydrophobicContact CG2-CE1 3.56Å; I861-F939 HydrophobicContact CG2-CZ 3.62Å; A862-F939 HydrophobicContact CB-CD1 4.14Å; F867-F939 HydrophobicContact CE1-CE2 4.45Å; I868-F939 HydrophobicContact CD1-CB 3.9Å; I868-F939 HydrophobicContact CD1-CD1 4.12Å; I868-F939 HydrophobicContact CD1-CD2 3.76Å; I868-F939 HydrophobicContact CD1-CE2 4.33Å; I868-F939 HydrophobicContact CD1-CG 3.63Å; I868-F939 HydrophobicContact CG1-CG 4.46Å; A935-F939 WeakPolarHBondContact O-CB 3.44Å; A935-F939 PolarHBondContact O-N 2.96Å; K936-F939 PolarHBondContact O-N 3.46Å; F937-F939 VanDerWaalsContact C-N 3.27Å; F937-F939 PolarHBondContact O-N 3.21Å; F939-F941 PolarHBondContact O-N 3.22Å; F939-T942 WeakPolarHBondContact CA-OG1 3.44Å; F939-T942 PolarHBondContact O-N 2.96Å; F939-T942 PolarHBondContact O-OG1 3.47Å; F939-F943 HydrophobicContact CE1-CB 4.44Å; F939-F943 HydrophobicContact CE1-CD2 4.35Å; F939-F943 HydrophobicContact CZ-CB 4.5Å; F939-F943 AromaticContact CZ-CD2 3.9Å; F939-F943 HydrophobicContact CZ-CD2 3.9Å; F939-F943 VanDerWaalsContact O-CB 3.24Å; F939-F943 WeakPolarHBondContact O-CB 3.49Å; F939-F943 PolarHBondContact O-N 2.96Å |
| 940 | V | 94.5 | Very high | 93.1 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 9% | 0.085 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 179.6 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | A858 A862 F863 K936 F937 T942 F943 E944 | A858-V940 HydrophobicContact CB-CG1 4.26Å; A862-V940 HydrophobicContact CB-CG2 3.43Å; A862-V940 VanDerWaalsContact CB-CG2 3.43Å; F863-V940 HydrophobicContact CE2-CG2 4.23Å; K936-V940 WeakPolarHBondContact O-CG2 3.19Å; K936-V940 PolarHBondContact O-N 3.36Å; K936-V940 VanDerWaalsContact O-N 3.09Å; F937-V940 PolarHBondContact O-N 2.91Å; F937-V940 VanDerWaalsContact O-N 3.16Å; V940-T942 PolarHBondContact O-N 3.44Å; V940-F943 PolarHBondContact O-N 3.32Å; V940-E944 WeakPolarHBondContact O-CB 3.09Å; V940-E944 PolarHBondContact O-N 3.19Å |
| 941 | F | 95 | Very high | 92.7 | Very high | 129 Ų | 129 | 55.9 Ų | 55.9 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | -179.8 | -71.9 | -60.6 | 0 | 0 | 0 | 112.4 | F937 F939 T945 | F937-F941 HydrophobicContact CB-CD2 4.42Å; F937-F941 HydrophobicContact CB-CE2 4.22Å; F937-F941 HydrophobicContact CD1-CE2 4.38Å; F937-F941 WeakPolarHBondContact O-CD2 3.47Å; F937-F941 PolarHBondContact O-N 2.85Å; F939-F941 PolarHBondContact O-N 3.22Å; F941-T945 VanDerWaalsContact O-CB 3.27Å; F941-T945 WeakPolarHBondContact O-CB 3.02Å; F941-T945 PolarHBondContact O-N 2.54Å; F941-T945 PolarHBondContact O-OG1 3.2Å |
| 942 | T | 93.6 | Very high | 92.3 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 177.8 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | I938 F939 V940 T945 I946 | I938-T942 HydrophobicContact CG2-CG2 4.29Å; I938-T942 WeakPolarHBondContact O-CB 3.27Å; I938-T942 VanDerWaalsContact O-CG2 3.25Å; I938-T942 WeakPolarHBondContact O-CG2 3.36Å; I938-T942 PolarHBondContact O-N 2.89Å; I938-T942 PolarHBondContact O-OG1 3.32Å; F939-T942 WeakPolarHBondContact CA-OG1 3.44Å; F939-T942 PolarHBondContact O-N 2.96Å; F939-T942 PolarHBondContact O-OG1 3.47Å; V940-T942 PolarHBondContact O-N 3.44Å; T942-T945 PolarHBondContact O-N 3.45Å; T942-I946 WeakPolarHBondContact O-CB 3.49Å; T942-I946 WeakPolarHBondContact O-CD1 3.4Å; T942-I946 WeakPolarHBondContact O-CG1 3.49Å; T942-I946 PolarHBondContact O-N 3.04Å |
| 943 | F | 92.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -50 | 176.4 | -174.4 | -76.4 | 0 | 0 | 0 | 111.8 | V475 I854 N857 A858 I861 F939 V940 T945 I946 A947 | V475-F943 HydrophobicContact CG2-CD2 4.36Å; V475-F943 HydrophobicContact CG2-CE2 3.58Å; V475-F943 HydrophobicContact CG2-CZ 4.36Å; I854-F943 HydrophobicContact CG2-CE1 4.27Å; N857-F943 HydrophobicContact CB-CZ 4.5Å; A858-F943 HydrophobicContact CB-CB 4.2Å; A858-F943 HydrophobicContact CB-CD1 3.52Å; A858-F943 HydrophobicContact CB-CE1 4.06Å; A858-F943 HydrophobicContact CB-CG 3.97Å; I861-F943 HydrophobicContact CD1-CE2 4.38Å; F939-F943 HydrophobicContact CE1-CB 4.44Å; F939-F943 HydrophobicContact CE1-CD2 4.35Å; F939-F943 HydrophobicContact CZ-CB 4.5Å; F939-F943 AromaticContact CZ-CD2 3.9Å; F939-F943 HydrophobicContact CZ-CD2 3.9Å; F939-F943 VanDerWaalsContact O-CB 3.24Å; F939-F943 WeakPolarHBondContact O-CB 3.49Å; F939-F943 PolarHBondContact O-N 2.96Å; V940-F943 PolarHBondContact O-N 3.32Å; F943-T945 PolarHBondContact O-N 3.01Å; F943-I946 PolarHBondContact O-N 3.26Å; F943-A947 HydrophobicContact CE1-CB 4.47Å; F943-A947 WeakPolarHBondContact O-CB 3.34Å; F943-A947 PolarHBondContact O-N 3.41Å |
| 944 | E | 91.6 | Very high | 91.9 | Very high | 50 Ų | 50 | 59.3 Ų | 59.3 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | -179.7 | -177.9 | 174.4 | -171.9 | 0 | 0 | 111.6 | R855 V940 T948 | R855-E944 IonicContact CZ-OE1 2.99Å; R855-E944 IonicContact NE-OE1 3.15Å; R855-E944 PolarHBondContact NE-OE1 3.32Å; R855-E944 IonicContact NH2-OE1 3.68Å; V940-E944 WeakPolarHBondContact O-CB 3.09Å; V940-E944 PolarHBondContact O-N 3.19Å; E944-T948 VanDerWaalsContact O-CB 3.25Å; E944-T948 WeakPolarHBondContact O-CB 3.34Å; E944-T948 PolarHBondContact O-N 3.18Å; E944-T948 PolarHBondContact O-OG1 3.29Å |
| 945 | T | 92 | Very high | 91.3 | Very high | 79 Ų | 79 | 61.1 Ų | 61.1 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 179.8 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | F941 T942 F943 T948 I949 | F941-T945 VanDerWaalsContact O-CB 3.27Å; F941-T945 WeakPolarHBondContact O-CB 3.02Å; F941-T945 PolarHBondContact O-N 2.54Å; F941-T945 PolarHBondContact O-OG1 3.2Å; T942-T945 PolarHBondContact O-N 3.45Å; F943-T945 PolarHBondContact O-N 3.01Å; T945-T948 PolarHBondContact O-N 3.29Å; T945-I949 HydrophobicContact CG2-CD1 3.88Å; T945-I949 VanDerWaalsContact O-CG1 3.28Å; T945-I949 WeakPolarHBondContact O-CG1 2.99Å; T945-I949 PolarHBondContact O-N 3.32Å |
| 946 | I | 91.3 | Very high | 90.9 | Very high | 101 Ų | 101 | 64.1 Ų | 64.1 | 52% | 0.518 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 179.5 | -68.8 | 167.5 | 0 | 0 | 0 | 110.3 | T942 F943 T948 I949 L950 | T942-I946 WeakPolarHBondContact O-CB 3.49Å; T942-I946 WeakPolarHBondContact O-CD1 3.4Å; T942-I946 WeakPolarHBondContact O-CG1 3.49Å; T942-I946 PolarHBondContact O-N 3.04Å; F943-I946 PolarHBondContact O-N 3.26Å; I946-T948 PolarHBondContact O-N 2.7Å; I946-I949 PolarHBondContact O-N 2.78Å; I946-L950 HydrophobicContact CG2-CD1 3.83Å; I946-L950 HydrophobicContact CG2-CG 4.42Å; I946-L950 WeakPolarHBondContact O-CB 3.4Å; I946-L950 VanDerWaalsContact O-CG 3.3Å; I946-L950 WeakPolarHBondContact O-CG 3.47Å; I946-L950 PolarHBondContact O-N 2.92Å |
| 947 | A | 88.6 | Confident | 90.6 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 5% | 0.05 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I854 F943 I949 L950 T951 | I854-A947 HydrophobicContact CG2-CB 3.53Å; F943-A947 HydrophobicContact CE1-CB 4.47Å; F943-A947 WeakPolarHBondContact O-CB 3.34Å; F943-A947 PolarHBondContact O-N 3.41Å; A947-I949 PolarHBondContact O-N 3.15Å; A947-L950 PolarHBondContact O-N 3.15Å; A947-T951 VanDerWaalsContact O-CG2 3.26Å; A947-T951 WeakPolarHBondContact O-CG2 3.33Å; A947-T951 PolarHBondContact O-N 3.42Å |
| 948 | T | 86.2 | Confident | 90.2 | Very high | 53 Ų | 53 | 63.2 Ų | 63.2 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 179.3 | -58.2 | 0 | 0 | 0 | 0 | 112 | E944 T945 I946 L950 T951 N952 | E944-T948 VanDerWaalsContact O-CB 3.25Å; E944-T948 WeakPolarHBondContact O-CB 3.34Å; E944-T948 PolarHBondContact O-N 3.18Å; E944-T948 PolarHBondContact O-OG1 3.29Å; T945-T948 PolarHBondContact O-N 3.29Å; I946-T948 PolarHBondContact O-N 2.7Å; T948-L950 VanDerWaalsContact C-N 3.35Å; T948-L950 PolarHBondContact O-N 2.9Å; T948-T951 WeakPolarHBondContact CA-OG1 3.35Å; T948-T951 PolarHBondContact O-N 3.18Å; T948-T951 PolarHBondContact O-OG1 3.19Å; T948-N952 PolarHBondContact O-N 3.3Å; T948-N952 PolarHBondContact O-ND2 3.44Å |
| 949 | I | 90.4 | Very high | 89.9 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 175.1 | -69.1 | 167.1 | 0 | 0 | 0 | 110.3 | T945 I946 A947 T951 N952 V953 | T945-I949 HydrophobicContact CG2-CD1 3.88Å; T945-I949 VanDerWaalsContact O-CG1 3.28Å; T945-I949 WeakPolarHBondContact O-CG1 2.99Å; T945-I949 PolarHBondContact O-N 3.32Å; I946-I949 PolarHBondContact O-N 2.78Å; A947-I949 PolarHBondContact O-N 3.15Å; I949-T951 VanDerWaalsContact C-N 3.31Å; I949-T951 PolarHBondContact O-N 3.18Å; I949-N952 PolarHBondContact O-N 3.08Å; I949-V953 HydrophobicContact CG2-CG2 4.43Å; I949-V953 WeakPolarHBondContact O-CG2 3.24Å; I949-V953 PolarHBondContact O-N 2.94Å |
| 950 | L | 88.5 | Confident | 89.6 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 36% | 0.356 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 178.6 | -70.8 | 171.3 | 0 | 0 | 0 | 111.8 | L479 I946 A947 T948 N952 V953 I954 | L479-L950 HydrophobicContact CD1-CD1 4.38Å; L479-L950 HydrophobicContact CD2-CB 3.75Å; L479-L950 HydrophobicContact CD2-CD1 3.81Å; L479-L950 HydrophobicContact CD2-CG 4.4Å; I946-L950 HydrophobicContact CG2-CD1 3.83Å; I946-L950 HydrophobicContact CG2-CG 4.42Å; I946-L950 WeakPolarHBondContact O-CB 3.4Å; I946-L950 VanDerWaalsContact O-CG 3.3Å; I946-L950 WeakPolarHBondContact O-CG 3.47Å; I946-L950 PolarHBondContact O-N 2.92Å; A947-L950 PolarHBondContact O-N 3.15Å; T948-L950 VanDerWaalsContact C-N 3.35Å; T948-L950 PolarHBondContact O-N 2.9Å; L950-N952 PolarHBondContact O-N 2.94Å; L950-V953 PolarHBondContact O-N 3.31Å; L950-I954 WeakPolarHBondContact O-CB 3.43Å; L950-I954 WeakPolarHBondContact O-CD1 3.44Å; L950-I954 WeakPolarHBondContact O-CG1 3.38Å; L950-I954 PolarHBondContact O-N 2.87Å |
| 951 | T | 86 | Confident | 89.3 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 8% | 0.08 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.9 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | V482 I854 A947 T948 I949 V953 I954 M955 | V482-T951 HydrophobicContact CB-CG2 4.01Å; V482-T951 HydrophobicContact CG1-CG2 3.94Å; V482-T951 HydrophobicContact CG2-CG2 3.31Å; I854-T951 HydrophobicContact CD1-CG2 3.81Å; A947-T951 VanDerWaalsContact O-CG2 3.26Å; A947-T951 WeakPolarHBondContact O-CG2 3.33Å; A947-T951 PolarHBondContact O-N 3.42Å; T948-T951 WeakPolarHBondContact CA-OG1 3.35Å; T948-T951 PolarHBondContact O-N 3.18Å; T948-T951 PolarHBondContact O-OG1 3.19Å; I949-T951 VanDerWaalsContact C-N 3.31Å; I949-T951 PolarHBondContact O-N 3.18Å; T951-V953 VanDerWaalsContact C-N 3.34Å; T951-V953 PolarHBondContact O-N 3.16Å; T951-I954 PolarHBondContact O-N 3.06Å; T951-M955 WeakPolarHBondContact O-CG 3.45Å; T951-M955 PolarHBondContact O-N 3.4Å |
| 952 | N | 86.6 | Confident | 89.1 | Confident | 88 Ų | 88 | 57 Ų | 57 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 177.4 | -70.9 | -24.8 | 0 | 0 | 0 | 111.8 | T948 I949 L950 M955 A956 | T948-N952 PolarHBondContact O-N 3.3Å; T948-N952 PolarHBondContact O-ND2 3.44Å; I949-N952 PolarHBondContact O-N 3.08Å; L950-N952 PolarHBondContact O-N 2.94Å; N952-M955 HydrophobicContact CB-CE 4.49Å; N952-M955 PolarHBondContact O-N 2.9Å; N952-M955 WeakPolarHBondContact OD1-CE 3.42Å; N952-A956 WeakPolarHBondContact O-CB 3.28Å; N952-A956 PolarHBondContact O-N 2.6Å |
| 953 | V | 90.5 | Very high | 88.9 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 52% | 0.515 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.4 | 172 | 0 | 0 | 0 | 0 | 110.9 | I949 L950 T951 A956 A957 | I949-V953 HydrophobicContact CG2-CG2 4.43Å; I949-V953 WeakPolarHBondContact O-CG2 3.24Å; I949-V953 PolarHBondContact O-N 2.94Å; L950-V953 PolarHBondContact O-N 3.31Å; T951-V953 VanDerWaalsContact C-N 3.34Å; T951-V953 PolarHBondContact O-N 3.16Å; V953-A956 PolarHBondContact O-N 3.38Å; V953-A957 VanDerWaalsContact O-CB 3.22Å; V953-A957 WeakPolarHBondContact O-CB 3.36Å; V953-A957 PolarHBondContact O-N 2.97Å |
| 954 | I | 87.7 | Confident | 88.7 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 15% | 0.149 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 177.5 | -69.7 | 160.4 | 0 | 0 | 0 | 110.7 | L479 V482 I483 E486 L950 T951 A956 A957 V958 | L479-I954 HydrophobicContact CD2-CD1 4.28Å; V482-I954 HydrophobicContact CG1-CG2 4.29Å; I483-I954 HydrophobicContact CD1-CD1 4.23Å; I483-I954 HydrophobicContact CG1-CD1 3.84Å; I483-I954 HydrophobicContact CG1-CG2 4.17Å; E486-I954 HydrophobicContact CG-CG2 4.34Å; L950-I954 WeakPolarHBondContact O-CB 3.43Å; L950-I954 WeakPolarHBondContact O-CD1 3.44Å; L950-I954 WeakPolarHBondContact O-CG1 3.38Å; L950-I954 PolarHBondContact O-N 2.87Å; T951-I954 PolarHBondContact O-N 3.06Å; I954-A956 VanDerWaalsContact C-N 3.32Å; I954-A956 PolarHBondContact O-N 3.03Å; I954-A957 PolarHBondContact O-N 2Å; I954-V958 HydrophobicContact CG2-CG2 4.35Å; I954-V958 WeakPolarHBondContact O-CB 3.47Å; I954-V958 WeakPolarHBondContact O-CG2 3.03Å; I954-V958 PolarHBondContact O-N 2.7Å |
| 955 | M | 83.7 | Confident | 88.4 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 42% | 0.424 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 177.2 | -72.4 | -171.8 | -67.9 | 0 | 0 | 112 | E486 T951 N952 | E486-M955 HydrophobicContact CG-CG 4.31Å; T951-M955 WeakPolarHBondContact O-CG 3.45Å; T951-M955 PolarHBondContact O-N 3.4Å; N952-M955 HydrophobicContact CB-CE 4.49Å; N952-M955 PolarHBondContact O-N 2.9Å; N952-M955 WeakPolarHBondContact OD1-CE 3.42Å |
| 956 | A | 87.8 | Confident | 88.3 | Confident | 89 Ų | 89 | 69.2 Ų | 69.2 | 74% | 0.736 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70.8 | -36.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N952 V953 I954 | N952-A956 WeakPolarHBondContact O-CB 3.28Å; N952-A956 PolarHBondContact O-N 2.6Å; V953-A956 PolarHBondContact O-N 3.38Å; I954-A956 VanDerWaalsContact C-N 3.32Å; I954-A956 PolarHBondContact O-N 3.03Å |
| 957 | A | 89.9 | Confident | 88.3 | Confident | 71 Ų | 71 | 73.5 Ų | 73.5 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -77.4 | -31 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V953 I954 P959 | V953-A957 VanDerWaalsContact O-CB 3.22Å; V953-A957 WeakPolarHBondContact O-CB 3.36Å; V953-A957 PolarHBondContact O-N 2.97Å; I954-A957 PolarHBondContact O-N 2Å; A957-P959 VanDerWaalsContact O-CD 3.24Å; A957-P959 WeakPolarHBondContact O-CD 3.37Å |
| 958 | V | 87.8 | Confident | 88.1 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -105.2 | 97.4 | -172.2 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | E486 M487 R490 I954 | E486-V958 HydrophobicContact CB-CG1 4.23Å; M487-V958 HydrophobicContact SD-CG1 4.37Å; R490-V958 HydrophobicContact CG-CG1 4.43Å; I954-V958 HydrophobicContact CG2-CG2 4.35Å; I954-V958 WeakPolarHBondContact O-CB 3.47Å; I954-V958 WeakPolarHBondContact O-CG2 3.03Å; I954-V958 PolarHBondContact O-N 2.7Å |
| 959 | P | 89.1 | Confident | 88.1 | Confident | 51 Ų | 51 | 77.3 Ų | 77.3 | 33% | 0.331 | 39% | 0.393 | S | S | . | . | trans | -71.1 | 135.4 | -178 | 28.2 | -35.3 | 0 | 0 | 0 | 111.8 | R490 A957 V961 | R490-P959 VanDerWaalsContact CD-O 3.25Å; R490-P959 WeakPolarHBondContact CD-O 3.23Å; R490-P959 VanDerWaalsContact CG-O 3.27Å; R490-P959 WeakPolarHBondContact CG-O 3.3Å; R490-P959 PolarHBondContact NE-O 3.41Å; A957-P959 VanDerWaalsContact O-CD 3.24Å; A957-P959 WeakPolarHBondContact O-CD 3.37Å; P959-V961 VanDerWaalsContact C-N 3.26Å; P959-V961 PolarHBondContact O-N 3.5Å | ||
| 960 | D | 88 | Confident | 88 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 36% | 0.358 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -53.1 | -39.6 | 178.8 | -72.2 | -27.7 | 0 | 0 | 0 | 113.3 | R490 P962 | R490-D960 WeakPolarHBondContact CA-O 3.49Å; R490-D960 WeakPolarHBondContact CG-O 3.05Å; D960-P962 WeakPolarHBondContact O-CD 3.08Å |
| 961 | V | 89.2 | Confident | 88 | Confident | 26 Ų | 26 | 80.7 Ų | 80.7 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -97.2 | 115.2 | 176.6 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | V493 P959 K963 R966 | V493-V961 HydrophobicContact CG1-CB 4.47Å; V493-V961 HydrophobicContact CG1-CG1 4.15Å; V493-V961 HydrophobicContact CG1-CG2 4.23Å; P959-V961 VanDerWaalsContact C-N 3.26Å; P959-V961 PolarHBondContact O-N 3.5Å; V961-K963 PolarHBondContact O-N 3.12Å; V961-R966 HydrophobicContact CG1-CB 4.22Å |
| 962 | P | 90.3 | Very high | 87.8 | Confident | 20 Ų | 20 | 81.3 Ų | 81.3 | 13% | 0.13 | 40% | 0.404 | C | S | . | . | trans | -58.8 | 135.2 | 177 | -22.7 | 32.5 | 0 | 0 | 0 | 112 | R490 D960 R964 V965 R966 | R490-P962 HydrophobicContact CB-CG 4.21Å; D960-P962 WeakPolarHBondContact O-CD 3.08Å; P962-R964 PolarHBondContact O-N 2.72Å; P962-V965 HydrophobicContact CB-CB 4.4Å; P962-V965 HydrophobicContact CB-CG2 4.12Å; P962-V965 HydrophobicContact CG-CG2 4.18Å; P962-V965 PolarHBondContact O-N 3.08Å; P962-R966 PolarHBondContact O-N 3.47Å | ||
| 963 | K | 89.3 | Confident | 87.8 | Confident | 153 Ų | 153 | 79.7 Ų | 79.7 | 67% | 0.665 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -49.2 | -37.8 | 178.1 | -66.8 | -175.6 | -179.8 | -179.3 | 0 | 113.1 | V961 R966 R967 | V961-K963 PolarHBondContact O-N 3.12Å; K963-R966 PolarHBondContact O-N 2.77Å; K963-R967 WeakPolarHBondContact O-CG 3.31Å; K963-R967 PolarHBondContact O-N 3.28Å |
| 964 | R | 87.5 | Confident | 87.7 | Confident | 158 Ų | 158 | 79.3 Ų | 79.3 | 60% | 0.596 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 177.2 | -168.8 | -178.3 | -170.6 | 169.4 | 6.1 | 112.8 | P962 K968 | P962-R964 PolarHBondContact O-N 2.72Å; R964-K968 WeakPolarHBondContact O-CG 3.47Å; R964-K968 PolarHBondContact O-N 3.04Å; R964-K968 VanDerWaalsContact O-N 3.1Å |
| 965 | V | 86.6 | Confident | 87.6 | Confident | 10 Ų | 10 | 79 Ų | 79 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.5 | -43.7 | 178.3 | 175.6 | 0 | 0 | 0 | 0 | 109.5 | Y497 P962 R967 K968 I969 | Y497-V965 HydrophobicContact CD1-CG1 3.84Å; Y497-V965 HydrophobicContact CD2-CG1 4.49Å; Y497-V965 HydrophobicContact CG-CG1 3.8Å; P962-V965 HydrophobicContact CB-CB 4.4Å; P962-V965 HydrophobicContact CB-CG2 4.12Å; P962-V965 HydrophobicContact CG-CG2 4.18Å; P962-V965 PolarHBondContact O-N 3.08Å; V965-R967 PolarHBondContact O-N 3.37Å; V965-K968 WeakPolarHBondContact O-CB 3.47Å; V965-K968 PolarHBondContact O-N 3.43Å; V965-K968 VanDerWaalsContact O-N 3.09Å; V965-I969 HydrophobicContact CG1-CD1 3.78Å; V965-I969 HydrophobicContact CG1-CG1 4.26Å; V965-I969 WeakPolarHBondContact O-CG1 3.35Å; V965-I969 PolarHBondContact O-N 3.4Å |
| 966 | R | 90.2 | Very high | 87.7 | Confident | 149 Ų | 149 | 74.9 Ų | 74.9 | 56% | 0.562 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -55.4 | -47.6 | 174.8 | -170.1 | -176.9 | -64.2 | 179.5 | -2 | 112.6 | V961 P962 K963 K968 I969 F970 | V961-R966 HydrophobicContact CG1-CB 4.22Å; P962-R966 PolarHBondContact O-N 3.47Å; K963-R966 PolarHBondContact O-N 2.77Å; R966-K968 VanDerWaalsContact C-N 3.34Å; R966-K968 PolarHBondContact O-N 3.41Å; R966-I969 PolarHBondContact O-N 2.98Å; R966-F970 PolarHBondContact O-N 2.68Å; R966-F970 VanDerWaalsContact O-N 3.09Å |
| 967 | R | 90 | Very high | 87.7 | Confident | 192 Ų | 192 | 74 Ų | 74 | 73% | 0.725 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.2 | -40.1 | 175.5 | -72.4 | -177.5 | -169.6 | 178.1 | 1.5 | 112.4 | K963 V965 F970 H971 | K963-R967 WeakPolarHBondContact O-CG 3.31Å; K963-R967 PolarHBondContact O-N 3.28Å; V965-R967 PolarHBondContact O-N 3.37Å; R967-F970 PolarHBondContact O-N 2.87Å; R967-H971 VanDerWaalsContact O-CB 3.28Å; R967-H971 WeakPolarHBondContact O-CB 3.27Å; R967-H971 PolarHBondContact O-N 3.21Å |
| 968 | K | 85.4 | Confident | 87.6 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.8 | -79.1 | -173.7 | 171.6 | -156.9 | 0 | 112.4 | Y497 R964 V965 R966 F970 H971 E972 | Y497-K968 HydrophobicContact CE1-CB 4.01Å; Y497-K968 HydrophobicContact CE1-CD 4.14Å; Y497-K968 WeakPolarHBondContact OH-CB 3.2Å; R964-K968 WeakPolarHBondContact O-CG 3.47Å; R964-K968 PolarHBondContact O-N 3.04Å; R964-K968 VanDerWaalsContact O-N 3.1Å; V965-K968 WeakPolarHBondContact O-CB 3.47Å; V965-K968 PolarHBondContact O-N 3.43Å; V965-K968 VanDerWaalsContact O-N 3.09Å; R966-K968 VanDerWaalsContact C-N 3.34Å; R966-K968 PolarHBondContact O-N 3.41Å; K968-F970 VanDerWaalsContact C-N 3.34Å; K968-F970 PolarHBondContact O-N 3.44Å; K968-H971 PolarHBondContact O-N 3.45Å; K968-E972 WeakPolarHBondContact O-CB 3.31Å; K968-E972 PolarHBondContact O-N 3.3Å |
| 969 | I | 86.2 | Confident | 87.4 | Confident | 53 Ų | 53 | 72.8 Ų | 72.8 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 175.7 | -69 | 165.3 | 0 | 0 | 0 | 110.2 | Y497 Y502 V965 R966 E972 S973 | Y497-I969 HydrophobicContact CD2-CD1 4.04Å; Y497-I969 HydrophobicContact CD2-CG1 3.46Å; Y497-I969 VanDerWaalsContact CD2-CG1 3.46Å; Y497-I969 HydrophobicContact CE2-CB 4.37Å; Y497-I969 HydrophobicContact CE2-CD1 4.43Å; Y497-I969 HydrophobicContact CE2-CG1 3.38Å; Y497-I969 HydrophobicContact CG-CG1 4.26Å; Y502-I969 HydrophobicContact CD1-CD1 4.33Å; Y502-I969 HydrophobicContact CE1-CD1 4.06Å; V965-I969 HydrophobicContact CG1-CD1 3.78Å; V965-I969 HydrophobicContact CG1-CG1 4.26Å; V965-I969 WeakPolarHBondContact O-CG1 3.35Å; V965-I969 PolarHBondContact O-N 3.4Å; R966-I969 PolarHBondContact O-N 2.98Å; I969-E972 PolarHBondContact O-N 2.93Å; I969-S973 WeakPolarHBondContact O-CB 3.41Å; I969-S973 PolarHBondContact O-N 3.38Å |
| 970 | F | 88.7 | Confident | 87.3 | Confident | 130 Ų | 130 | 71 Ų | 71 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 179 | -177.2 | -99.9 | 0 | 0 | 0 | 112.1 | R966 R967 K968 S973 N974 | R966-F970 PolarHBondContact O-N 2.68Å; R966-F970 VanDerWaalsContact O-N 3.09Å; R967-F970 PolarHBondContact O-N 2.87Å; K968-F970 VanDerWaalsContact C-N 3.34Å; K968-F970 PolarHBondContact O-N 3.44Å; F970-S973 PolarHBondContact O-N 2.99Å; F970-N974 WeakPolarHBondContact CE1-ND2 3.35Å; F970-N974 PolarHBondContact O-N 3.43Å; F970-N974 PolarHBondContact O-OD1 2.92Å |
| 971 | H | 87.2 | Confident | 87.2 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 178.6 | 179.7 | 67.9 | 0 | 0 | 0 | 112.8 | R967 K968 N974 I975 | R967-H971 VanDerWaalsContact O-CB 3.28Å; R967-H971 WeakPolarHBondContact O-CB 3.27Å; R967-H971 PolarHBondContact O-N 3.21Å; K968-H971 PolarHBondContact O-N 3.45Å; H971-N974 PolarHBondContact O-N 2.7Å; H971-I975 WeakPolarHBondContact CE1-CD1 3.14Å; H971-I975 WeakPolarHBondContact NE2-CD1 3.07Å; H971-I975 WeakPolarHBondContact O-CG1 3.43Å; H971-I975 PolarHBondContact O-N 3.25Å |
| 972 | E | 81.6 | Confident | 87.1 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.4 | 171.7 | 166.7 | -160.6 | 0 | 0 | 111.6 | Y217 Y497 K968 I969 I975 T976 | Y217-E972 HydrophobicContact CD1-CB 4.46Å; Y217-E972 HydrophobicContact CD1-CG 3.86Å; Y217-E972 HydrophobicContact CE1-CB 4.38Å; Y217-E972 HydrophobicContact CE1-CG 4.27Å; Y497-E972 WeakPolarHBondContact CE2-OE2 3.39Å; Y497-E972 PolarHBondContact OH-OE2 2.99Å; K968-E972 WeakPolarHBondContact O-CB 3.31Å; K968-E972 PolarHBondContact O-N 3.3Å; I969-E972 PolarHBondContact O-N 2.93Å; E972-I975 PolarHBondContact O-N 2.78Å; E972-T976 WeakPolarHBondContact O-CB 3.38Å; E972-T976 PolarHBondContact O-N 3.38Å; E972-T976 PolarHBondContact O-OG1 2.95Å |
| 973 | S | 86.7 | Confident | 86.9 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 174 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | I969 F970 I975 T976 N977 | I969-S973 WeakPolarHBondContact O-CB 3.41Å; I969-S973 PolarHBondContact O-N 3.38Å; F970-S973 PolarHBondContact O-N 2.99Å; S973-I975 PolarHBondContact O-N 3.48Å; S973-T976 PolarHBondContact O-N 3.39Å; S973-N977 WeakPolarHBondContact O-CB 3.41Å; S973-N977 PolarHBondContact O-N 3.26Å; S973-N977 PolarHBondContact O-ND2 3.45Å |
| 974 | N | 88 | Confident | 86.7 | Confident | 77 Ų | 77 | 71.9 Ų | 71.9 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 178.5 | -68.7 | -2.9 | 0 | 0 | 0 | 112.3 | F970 H971 A978 | F970-N974 WeakPolarHBondContact CE1-ND2 3.35Å; F970-N974 PolarHBondContact O-N 3.43Å; F970-N974 PolarHBondContact O-OD1 2.92Å; H971-N974 PolarHBondContact O-N 2.7Å; N974-A978 WeakPolarHBondContact O-CB 2.95Å; N974-A978 PolarHBondContact O-N 3.46Å |
| 975 | I | 86.5 | Confident | 86.7 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 177.3 | -71.7 | 179.4 | 0 | 0 | 0 | 110.8 | Y217 H971 E972 S973 N977 A978 I979 | Y217-I975 HydrophobicContact CD1-CG2 4.46Å; Y217-I975 HydrophobicContact CD2-CG2 4.2Å; Y217-I975 HydrophobicContact CE1-CB 4.48Å; Y217-I975 HydrophobicContact CE1-CD1 4.39Å; Y217-I975 HydrophobicContact CE1-CG2 4.14Å; Y217-I975 HydrophobicContact CE2-CG2 3.89Å; Y217-I975 HydrophobicContact CG-CG2 4.47Å; Y217-I975 VanDerWaalsContact OH-CD1 3.27Å; Y217-I975 WeakPolarHBondContact OH-CD1 3.5Å; H971-I975 WeakPolarHBondContact CE1-CD1 3.14Å; H971-I975 WeakPolarHBondContact NE2-CD1 3.07Å; H971-I975 WeakPolarHBondContact O-CG1 3.43Å; H971-I975 PolarHBondContact O-N 3.25Å; E972-I975 PolarHBondContact O-N 2.78Å; S973-I975 PolarHBondContact O-N 3.48Å; I975-N977 VanDerWaalsContact C-N 3.35Å; I975-N977 PolarHBondContact O-N 3.01Å; I975-A978 WeakPolarHBondContact O-CB 3.37Å; I975-A978 PolarHBondContact O-N 2.95Å; I975-A978 VanDerWaalsContact O-N 3.17Å; I975-I979 HydrophobicContact CG2-CD1 3.72Å; I975-I979 HydrophobicContact CG2-CG1 4.25Å; I975-I979 WeakPolarHBondContact O-CG1 3.36Å; I975-I979 PolarHBondContact O-N 3.36Å |
| 976 | T | 85.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | -178.9 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | L177 W219 E972 S973 A978 I979 I980 | L177-T976 HydrophobicContact CD1-CG2 3.62Å; W219-T976 HydrophobicContact CD2-CG2 3.96Å; W219-T976 HydrophobicContact CE3-CG2 3.21Å; W219-T976 HydrophobicContact CZ3-CG2 3.58Å; E972-T976 WeakPolarHBondContact O-CB 3.38Å; E972-T976 PolarHBondContact O-N 3.38Å; E972-T976 PolarHBondContact O-OG1 2.95Å; S973-T976 PolarHBondContact O-N 3.39Å; T976-A978 VanDerWaalsContact C-N 3.31Å; T976-A978 PolarHBondContact O-N 3.28Å; T976-I979 PolarHBondContact O-N 3.44Å; T976-I980 HydrophobicContact CG2-CD1 3.74Å; T976-I980 HydrophobicContact CG2-CG1 4.37Å; T976-I980 VanDerWaalsContact O-CG1 3.23Å; T976-I980 WeakPolarHBondContact O-CG1 3.46Å; T976-I980 PolarHBondContact O-N 3.15Å |
| 977 | N | 87.9 | Confident | 86.3 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 173.6 | -69.4 | -16.8 | 0 | 0 | 0 | 111.4 | S973 I975 I980 L981 | S973-N977 WeakPolarHBondContact O-CB 3.41Å; S973-N977 PolarHBondContact O-N 3.26Å; S973-N977 PolarHBondContact O-ND2 3.45Å; I975-N977 VanDerWaalsContact C-N 3.35Å; I975-N977 PolarHBondContact O-N 3.01Å; N977-I980 PolarHBondContact O-N 2.99Å; N977-L981 WeakPolarHBondContact O-CB 3.43Å; N977-L981 WeakPolarHBondContact O-CG 3.21Å; N977-L981 PolarHBondContact O-N 2.99Å |
| 978 | A | 87.7 | Confident | 86.1 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N974 I975 T976 N982 | N974-A978 WeakPolarHBondContact O-CB 2.95Å; N974-A978 PolarHBondContact O-N 3.46Å; I975-A978 WeakPolarHBondContact O-CB 3.37Å; I975-A978 PolarHBondContact O-N 2.95Å; I975-A978 VanDerWaalsContact O-N 3.17Å; T976-A978 VanDerWaalsContact C-N 3.31Å; T976-A978 PolarHBondContact O-N 3.28Å; A978-N982 WeakPolarHBondContact O-CB 3.46Å; A978-N982 VanDerWaalsContact O-CG 3.22Å; A978-N982 PolarHBondContact O-N 3.04Å; A978-N982 PolarHBondContact O-ND2 3.28Å |
| 979 | I | 83.9 | Confident | 86 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 175.2 | -67.8 | 167.1 | 0 | 0 | 0 | 110.3 | L177 Y217 I975 T976 N982 A983 | L177-I979 HydrophobicContact CB-CG2 4.43Å; L177-I979 HydrophobicContact CD1-CG2 4.17Å; Y217-I979 HydrophobicContact CD2-CD1 4.16Å; I975-I979 HydrophobicContact CG2-CD1 3.72Å; I975-I979 HydrophobicContact CG2-CG1 4.25Å; I975-I979 WeakPolarHBondContact O-CG1 3.36Å; I975-I979 PolarHBondContact O-N 3.36Å; T976-I979 PolarHBondContact O-N 3.44Å; I979-N982 PolarHBondContact O-N 3.1Å; I979-A983 VanDerWaalsContact O-CB 3.32Å; I979-A983 WeakPolarHBondContact O-CB 3.28Å; I979-A983 PolarHBondContact O-N 3.46Å |
| 980 | I | 86.8 | Confident | 85.8 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 179.7 | -67.5 | 164.4 | 0 | 0 | 0 | 110.4 | W219 T976 N977 N982 A983 E984 | W219-I980 HydrophobicContact CD2-CD1 3.67Å; W219-I980 HydrophobicContact CE3-CD1 4.04Å; W219-I980 HydrophobicContact CG-CD1 4.17Å; W219-I980 HydrophobicContact CH2-CD1 4.03Å; W219-I980 HydrophobicContact CZ2-CD1 3.73Å; W219-I980 HydrophobicContact CZ3-CD1 4.18Å; T976-I980 HydrophobicContact CG2-CD1 3.74Å; T976-I980 HydrophobicContact CG2-CG1 4.37Å; T976-I980 VanDerWaalsContact O-CG1 3.23Å; T976-I980 WeakPolarHBondContact O-CG1 3.46Å; T976-I980 PolarHBondContact O-N 3.15Å; N977-I980 PolarHBondContact O-N 2.99Å; I980-N982 PolarHBondContact O-N 3.23Å; I980-A983 PolarHBondContact O-N 2.93Å; I980-E984 HydrophobicContact CG2-CG 4.29Å; I980-E984 WeakPolarHBondContact O-CB 3.29Å; I980-E984 WeakPolarHBondContact O-CG 3.37Å; I980-E984 PolarHBondContact O-N 2.82Å |
| 981 | L | 86.9 | Confident | 85.4 | Confident | 100 Ų | 100 | 64.4 Ų | 64.4 | 52% | 0.524 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 179.1 | -73.8 | 169.5 | 0 | 0 | 0 | 111.5 | N977 A983 E984 V985 | N977-L981 WeakPolarHBondContact O-CB 3.43Å; N977-L981 WeakPolarHBondContact O-CG 3.21Å; N977-L981 PolarHBondContact O-N 2.99Å; L981-A983 VanDerWaalsContact C-N 3.33Å; L981-A983 PolarHBondContact O-N 3.1Å; L981-E984 PolarHBondContact O-N 3.33Å; L981-V985 VanDerWaalsContact O-CG2 3.28Å; L981-V985 WeakPolarHBondContact O-CG2 3.28Å; L981-V985 PolarHBondContact O-N 3.46Å |
| 982 | N | 86.6 | Confident | 85.2 | Confident | 105 Ų | 105 | 64 Ų | 64 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 178.5 | -72.9 | -23.1 | 0 | 0 | 0 | 112.2 | A978 I979 I980 G986 | A978-N982 WeakPolarHBondContact O-CB 3.46Å; A978-N982 VanDerWaalsContact O-CG 3.22Å; A978-N982 PolarHBondContact O-N 3.04Å; A978-N982 PolarHBondContact O-ND2 3.28Å; I979-N982 PolarHBondContact O-N 3.1Å; I980-N982 PolarHBondContact O-N 3.23Å; N982-G986 PolarHBondContact O-N 2.62Å |
| 983 | A | 84.9 | Confident | 85.1 | Confident | 31 Ų | 31 | 65 Ų | 65 | 26% | 0.256 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71 | -35.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y227 L228 I979 I980 L981 N987 | Y227-A983 HydrophobicContact CE2-CB 4.29Å; L228-A983 HydrophobicContact CD2-CB 3.28Å; I979-A983 VanDerWaalsContact O-CB 3.32Å; I979-A983 WeakPolarHBondContact O-CB 3.28Å; I979-A983 PolarHBondContact O-N 3.46Å; I980-A983 PolarHBondContact O-N 2.93Å; L981-A983 VanDerWaalsContact C-N 3.33Å; L981-A983 PolarHBondContact O-N 3.1Å; A983-N987 WeakPolarHBondContact O-CB 3.39Å; A983-N987 PolarHBondContact O-N 3.46Å |
| 984 | E | 86.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 23% | 0.229 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | 171.9 | -76 | -179.1 | 175.3 | 0 | 0 | 111.7 | R225 I980 L981 G986 N987 Q988 | R225-E984 IonicContact CZ-OE1 2.86Å; R225-E984 IonicContact NH1-OE1 3.04Å; R225-E984 PolarHBondContact NH1-OE1 3.23Å; R225-E984 IonicContact NH2-OE1 2.77Å; R225-E984 PolarHBondContact NH2-OE1 3.28Å; R225-E984 VanDerWaalsContact NH2-OE1 3.08Å; I980-E984 HydrophobicContact CG2-CG 4.29Å; I980-E984 WeakPolarHBondContact O-CB 3.29Å; I980-E984 WeakPolarHBondContact O-CG 3.37Å; I980-E984 PolarHBondContact O-N 2.82Å; L981-E984 PolarHBondContact O-N 3.33Å; E984-G986 VanDerWaalsContact C-N 3.35Å; E984-G986 PolarHBondContact O-N 2.93Å; E984-N987 PolarHBondContact O-N 2.7Å; E984-Q988 WeakPolarHBondContact O-CG 3.27Å; E984-Q988 PolarHBondContact O-N 2.88Å |
| 985 | V | 87.5 | Confident | 84.2 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 42% | 0.418 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.8 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L981 N987 Q988 Q989 | L981-V985 VanDerWaalsContact O-CG2 3.28Å; L981-V985 WeakPolarHBondContact O-CG2 3.28Å; L981-V985 PolarHBondContact O-N 3.46Å; V985-N987 PolarHBondContact O-N 3.3Å; V985-Q988 PolarHBondContact O-N 3.35Å; V985-Q989 WeakPolarHBondContact O-CG 3.23Å; V985-Q989 PolarHBondContact O-N 3.43Å |
| 986 | G | 84.9 | Confident | 83.6 | Confident | 33 Ų | 33 | 72 Ų | 72 | 34% | 0.34 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N982 E984 Q989 Y990 | N982-G986 PolarHBondContact O-N 2.62Å; E984-G986 VanDerWaalsContact C-N 3.35Å; E984-G986 PolarHBondContact O-N 2.93Å; G986-Q989 PolarHBondContact O-N 3.12Å; G986-Y990 WeakPolarHBondContact O-CB 3.09Å; G986-Y990 PolarHBondContact O-N 3.09Å |
| 987 | N | 84.2 | Confident | 83.1 | Confident | 46 Ų | 46 | 76.7 Ų | 76.7 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 176.1 | -168.9 | 24.7 | 0 | 0 | 0 | 111.9 | Y227 A983 E984 V985 Y990 N991 | Y227-N987 VanDerWaalsContact CE1-ND2 3.31Å; Y227-N987 WeakPolarHBondContact CE1-ND2 3.16Å; Y227-N987 HydrophobicContact CE2-CB 3.95Å; Y227-N987 VanDerWaalsContact CZ-ND2 3.32Å; Y227-N987 PolarHBondContact OH-ND2 3.16Å; A983-N987 WeakPolarHBondContact O-CB 3.39Å; A983-N987 PolarHBondContact O-N 3.46Å; E984-N987 PolarHBondContact O-N 2.7Å; V985-N987 PolarHBondContact O-N 3.3Å; N987-Y990 PolarHBondContact O-N 3.35Å; N987-N991 WeakPolarHBondContact O-CB 3.33Å; N987-N991 VanDerWaalsContact O-CG 3.23Å; N987-N991 PolarHBondContact O-N 3.19Å; N987-N991 PolarHBondContact O-ND2 3.3Å; N987-N991 VanDerWaalsContact O-ND2 3.17Å; N987-N991 PolarHBondContact OD1-ND2 3.25Å |
| 988 | Q | 84.1 | Confident | 82.6 | Confident | 120 Ų | 120 | 77 Ų | 77 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 173.6 | -75.1 | -178.6 | -4 | 0 | 0 | 112.1 | E984 V985 Y990 N991 N992 | E984-Q988 WeakPolarHBondContact O-CG 3.27Å; E984-Q988 PolarHBondContact O-N 2.88Å; V985-Q988 PolarHBondContact O-N 3.35Å; Q988-Y990 VanDerWaalsContact C-N 3.34Å; Q988-N991 PolarHBondContact O-N 2.88Å; Q988-N992 VanDerWaalsContact O-CB 3.26Å; Q988-N992 WeakPolarHBondContact O-CB 3.02Å; Q988-N992 PolarHBondContact O-N 3.26Å; Q988-N992 PolarHBondContact O-ND2 3.38Å |
| 989 | Q | 84.5 | Confident | 82 | Confident | 130 Ų | 130 | 79 Ų | 79 | 61% | 0.607 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 175.8 | -73.7 | 177.7 | -3.4 | 0 | 0 | 111.6 | V985 G986 N992 A993 | V985-Q989 WeakPolarHBondContact O-CG 3.23Å; V985-Q989 PolarHBondContact O-N 3.43Å; G986-Q989 PolarHBondContact O-N 3.12Å; Q989-N992 PolarHBondContact O-N 3.48Å; Q989-A993 WeakPolarHBondContact O-CB 3.1Å; Q989-A993 PolarHBondContact O-N 2.9Å |
| 990 | Y | 80.6 | Confident | 81.6 | Confident | 151 Ų | 151 | 83.7 Ų | 83.7 | 59% | 0.592 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.8 | -48.8 | 175.6 | -180 | -103.8 | 0 | 0 | 0 | 112.1 | G986 N987 Q988 N992 A993 I994 | G986-Y990 WeakPolarHBondContact O-CB 3.09Å; G986-Y990 PolarHBondContact O-N 3.09Å; N987-Y990 PolarHBondContact O-N 3.35Å; Q988-Y990 VanDerWaalsContact C-N 3.34Å; Y990-N992 VanDerWaalsContact C-N 3.33Å; Y990-N992 PolarHBondContact O-N 2.94Å; Y990-A993 PolarHBondContact O-N 3.48Å; Y990-I994 HydrophobicContact CD1-CD1 3.74Å; Y990-I994 HydrophobicContact CE1-CD1 3.2Å; Y990-I994 HydrophobicContact CE1-CG1 4.35Å; Y990-I994 HydrophobicContact CE2-CD1 4.08Å; Y990-I994 HydrophobicContact CG-CD1 4.38Å; Y990-I994 VanDerWaalsContact CZ-CD1 3.4Å; Y990-I994 WeakPolarHBondContact O-CG1 3.26Å; Y990-I994 PolarHBondContact O-N 3.27Å |
| 991 | N | 81.4 | Confident | 81.1 | Confident | 72 Ų | 72 | 89.2 Ų | 89.2 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 177.3 | -69.7 | -28.4 | 0 | 0 | 0 | 112.2 | N987 Q988 T995 | N987-N991 WeakPolarHBondContact O-CB 3.33Å; N987-N991 VanDerWaalsContact O-CG 3.23Å; N987-N991 PolarHBondContact O-N 3.19Å; N987-N991 PolarHBondContact O-ND2 3.3Å; N987-N991 VanDerWaalsContact O-ND2 3.17Å; N987-N991 PolarHBondContact OD1-ND2 3.25Å; Q988-N991 PolarHBondContact O-N 2.88Å; N991-T995 WeakPolarHBondContact O-CB 3.46Å; N991-T995 PolarHBondContact O-N 3.36Å; N991-T995 PolarHBondContact O-OG1 3.5Å |
| 992 | N | 82.2 | Confident | 80.6 | Confident | 98 Ų | 98 | 91 Ų | 91 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 175 | -73.4 | -19.1 | 0 | 0 | 0 | 112 | Q988 Q989 Y990 T995 K996 | Q988-N992 VanDerWaalsContact O-CB 3.26Å; Q988-N992 WeakPolarHBondContact O-CB 3.02Å; Q988-N992 PolarHBondContact O-N 3.26Å; Q988-N992 PolarHBondContact O-ND2 3.38Å; Q989-N992 PolarHBondContact O-N 3.48Å; Y990-N992 VanDerWaalsContact C-N 3.33Å; Y990-N992 PolarHBondContact O-N 2.94Å; N992-T995 PolarHBondContact O-N 2.8Å; N992-K996 WeakPolarHBondContact O-CB 3.11Å; N992-K996 WeakPolarHBondContact O-CG 3.4Å; N992-K996 PolarHBondContact O-N 3.04Å |
| 993 | A | 79.3 | Confident | 80.2 | Confident | 46 Ų | 46 | 90.5 Ų | 90.5 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q989 Y990 T995 K996 D997 | Q989-A993 WeakPolarHBondContact O-CB 3.1Å; Q989-A993 PolarHBondContact O-N 2.9Å; Y990-A993 PolarHBondContact O-N 3.48Å; A993-T995 VanDerWaalsContact C-N 3.31Å; A993-T995 PolarHBondContact O-N 2.01Å; A993-K996 WeakPolarHBondContact O-CB 2.93Å; A993-K996 PolarHBondContact O-N 2.97Å; A993-K996 VanDerWaalsContact O-N 3.14Å; A993-D997 PolarHBondContact O-N 2.96Å |
| 994 | I | 79.2 | Confident | 79.9 | Confident | 68 Ų | 68 | 91.8 Ų | 91.8 | 35% | 0.349 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 174.1 | -69.1 | 172.8 | 0 | 0 | 0 | 110.8 | Y990 K996 D997 V998 | Y990-I994 HydrophobicContact CD1-CD1 3.74Å; Y990-I994 HydrophobicContact CE1-CD1 3.2Å; Y990-I994 HydrophobicContact CE1-CG1 4.35Å; Y990-I994 HydrophobicContact CE2-CD1 4.08Å; Y990-I994 HydrophobicContact CG-CD1 4.38Å; Y990-I994 VanDerWaalsContact CZ-CD1 3.4Å; Y990-I994 WeakPolarHBondContact O-CG1 3.26Å; Y990-I994 PolarHBondContact O-N 3.27Å; I994-K996 VanDerWaalsContact C-N 3.28Å; I994-K996 PolarHBondContact O-N 2.94Å; I994-D997 PolarHBondContact O-N 3.04Å; I994-V998 HydrophobicContact CG2-CG2 4.06Å; I994-V998 WeakPolarHBondContact O-CB 3.46Å; I994-V998 VanDerWaalsContact O-CG2 3.29Å; I994-V998 WeakPolarHBondContact O-CG2 3.29Å; I994-V998 PolarHBondContact O-N 3.09Å |
| 995 | T | 76.9 | Confident | 79.5 | Confident | 75 Ų | 75 | 94.2 Ų | 94.2 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 179.4 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | N991 N992 A993 N999 | N991-T995 WeakPolarHBondContact O-CB 3.46Å; N991-T995 PolarHBondContact O-N 3.36Å; N991-T995 PolarHBondContact O-OG1 3.5Å; N992-T995 PolarHBondContact O-N 2.8Å; A993-T995 VanDerWaalsContact C-N 3.31Å; A993-T995 PolarHBondContact O-N 2.01Å; T995-N999 VanDerWaalsContact O-CB 3.25Å; T995-N999 WeakPolarHBondContact O-CB 3.08Å; T995-N999 PolarHBondContact O-N 2.04Å; T995-N999 PolarHBondContact O-ND2 2.79Å |
| 996 | K | 74.8 | Confident | 79.1 | Confident | 157 Ų | 157 | 95.7 Ų | 95.7 | 68% | 0.683 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 173.3 | -76.6 | 178.8 | -179.7 | -177 | 0 | 112 | N992 A993 I994 N999 F1000 | N992-K996 WeakPolarHBondContact O-CB 3.11Å; N992-K996 WeakPolarHBondContact O-CG 3.4Å; N992-K996 PolarHBondContact O-N 3.04Å; A993-K996 WeakPolarHBondContact O-CB 2.93Å; A993-K996 PolarHBondContact O-N 2.97Å; A993-K996 VanDerWaalsContact O-N 3.14Å; I994-K996 VanDerWaalsContact C-N 3.28Å; I994-K996 PolarHBondContact O-N 2.94Å; K996-N999 PolarHBondContact O-N 3.08Å; K996-F1000 WeakPolarHBondContact O-CB 3.28Å; K996-F1000 PolarHBondContact O-N 2.85Å |
| 997 | D | 75 | Confident | 78.8 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 178.4 | -75.6 | -21 | 0 | 0 | 0 | 112 | A993 I994 F1000 Q1001 | A993-D997 PolarHBondContact O-N 2.96Å; I994-D997 PolarHBondContact O-N 3.04Å; D997-F1000 PolarHBondContact O-N 3.37Å; D997-Q1001 WeakPolarHBondContact O-CB 3.49Å; D997-Q1001 WeakPolarHBondContact O-CG 3.47Å; D997-Q1001 PolarHBondContact O-N 2.87Å |
| 998 | V | 76.4 | Confident | 78.5 | Confident | 77 Ų | 77 | 103.5 Ų | 103.5 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | I994 F1000 Q1001 K1002 | I994-V998 HydrophobicContact CG2-CG2 4.06Å; I994-V998 WeakPolarHBondContact O-CB 3.46Å; I994-V998 VanDerWaalsContact O-CG2 3.29Å; I994-V998 WeakPolarHBondContact O-CG2 3.29Å; I994-V998 PolarHBondContact O-N 3.09Å; V998-F1000 VanDerWaalsContact C-N 3.34Å; V998-F1000 PolarHBondContact O-N 3.4Å; V998-Q1001 PolarHBondContact O-N 3.12Å; V998-K1002 VanDerWaalsContact O-CB 3.32Å; V998-K1002 WeakPolarHBondContact O-CB 3.33Å; V998-K1002 PolarHBondContact O-N 2.81Å |
| 999 | N | 76.5 | Confident | 78.1 | Confident | 86 Ų | 86 | 102.9 Ų | 102.9 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 174.9 | -76.4 | -22.9 | 0 | 0 | 0 | 111.7 | T995 K996 K1002 I1003 | T995-N999 VanDerWaalsContact O-CB 3.25Å; T995-N999 WeakPolarHBondContact O-CB 3.08Å; T995-N999 PolarHBondContact O-N 2.04Å; T995-N999 PolarHBondContact O-ND2 2.79Å; K996-N999 PolarHBondContact O-N 3.08Å; N999-K1002 PolarHBondContact O-N 3.44Å; N999-I1003 WeakPolarHBondContact O-CB 3.27Å; N999-I1003 WeakPolarHBondContact O-CG1 3.5Å; N999-I1003 PolarHBondContact O-N 3.29Å |
| 1000 | F | 75.7 | Confident | 77.6 | Confident | 132 Ų | 132 | 102.1 Ų | 102.1 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -46.5 | 175.3 | -175.2 | -98.1 | 0 | 0 | 0 | 111.3 | K996 D997 V998 K1002 I1003 V1004 | K996-F1000 WeakPolarHBondContact O-CB 3.28Å; K996-F1000 PolarHBondContact O-N 2.85Å; D997-F1000 PolarHBondContact O-N 3.37Å; V998-F1000 VanDerWaalsContact C-N 3.34Å; V998-F1000 PolarHBondContact O-N 3.4Å; F1000-K1002 VanDerWaalsContact C-N 3.31Å; F1000-K1002 PolarHBondContact O-N 3.21Å; F1000-I1003 PolarHBondContact O-N 2.89Å; F1000-V1004 HydrophobicContact CD1-CG2 4.09Å; F1000-V1004 HydrophobicContact CE1-CG2 3.77Å; F1000-V1004 HydrophobicContact CZ-CG2 4Å; F1000-V1004 VanDerWaalsContact O-CG2 3.3Å; F1000-V1004 WeakPolarHBondContact O-CG2 3.46Å; F1000-V1004 PolarHBondContact O-N 2.56Å |
| 1001 | Q | 75.8 | Confident | 77.4 | Confident | 129 Ų | 129 | 100.8 Ų | 100.8 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.9 | -42.1 | 173.8 | -77 | -179.5 | -7.2 | 0 | 0 | 111.5 | D997 V998 V1004 L1005 | D997-Q1001 WeakPolarHBondContact O-CB 3.49Å; D997-Q1001 WeakPolarHBondContact O-CG 3.47Å; D997-Q1001 PolarHBondContact O-N 2.87Å; V998-Q1001 PolarHBondContact O-N 3.12Å; Q1001-V1004 PolarHBondContact O-N 2.88Å; Q1001-L1005 WeakPolarHBondContact O-CB 3.35Å; Q1001-L1005 PolarHBondContact O-N 3.06Å |
| 1002 | K | 76.4 | Confident | 76.8 | Confident | 138 Ų | 138 | 104.6 Ų | 104.6 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -40.7 | 176.7 | -159.5 | 172.7 | -173.7 | 178.3 | 0 | 111.9 | V998 N999 F1000 L1005 L1006 | V998-K1002 VanDerWaalsContact O-CB 3.32Å; V998-K1002 WeakPolarHBondContact O-CB 3.33Å; V998-K1002 PolarHBondContact O-N 2.81Å; N999-K1002 PolarHBondContact O-N 3.44Å; F1000-K1002 VanDerWaalsContact C-N 3.31Å; F1000-K1002 PolarHBondContact O-N 3.21Å; K1002-L1005 PolarHBondContact O-N 3.37Å; K1002-L1006 HydrophobicContact CG-CD1 4.48Å; K1002-L1006 WeakPolarHBondContact O-CB 3.47Å; K1002-L1006 VanDerWaalsContact O-CG 3.23Å; K1002-L1006 WeakPolarHBondContact O-CG 3.23Å; K1002-L1006 PolarHBondContact O-N 3.27Å |
| 1003 | I | 76.9 | Confident | 75.7 | Confident | 94 Ų | 94 | 105.1 Ų | 105.1 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 175 | -70.1 | 166 | 0 | 0 | 0 | 111.2 | N999 F1000 L1006 K1007 | N999-I1003 WeakPolarHBondContact O-CB 3.27Å; N999-I1003 WeakPolarHBondContact O-CG1 3.5Å; N999-I1003 PolarHBondContact O-N 3.29Å; F1000-I1003 PolarHBondContact O-N 2.89Å; I1003-L1006 PolarHBondContact O-N 2.94Å; I1003-K1007 PolarHBondContact O-N 3.18Å |
| 1004 | V | 78.7 | Confident | 74.6 | Confident | 57 Ų | 57 | 108.5 Ų | 108.5 | 35% | 0.345 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | F1000 Q1001 K1007 Q1008 | F1000-V1004 HydrophobicContact CD1-CG2 4.09Å; F1000-V1004 HydrophobicContact CE1-CG2 3.77Å; F1000-V1004 HydrophobicContact CZ-CG2 4Å; F1000-V1004 VanDerWaalsContact O-CG2 3.3Å; F1000-V1004 WeakPolarHBondContact O-CG2 3.46Å; F1000-V1004 PolarHBondContact O-N 2.56Å; Q1001-V1004 PolarHBondContact O-N 2.88Å; V1004-K1007 PolarHBondContact O-N 3.48Å; V1004-Q1008 WeakPolarHBondContact O-CG 3.39Å; V1004-Q1008 PolarHBondContact O-N 3.4Å |
| 1005 | L | 79.2 | Confident | 73.5 | Confident | 101 Ų | 101 | 109.5 Ų | 109.5 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.9 | -112 | 154.5 | 0 | 0 | 0 | 112 | Q1001 K1002 Q1008 Q1009 | Q1001-L1005 WeakPolarHBondContact O-CB 3.35Å; Q1001-L1005 PolarHBondContact O-N 3.06Å; K1002-L1005 PolarHBondContact O-N 3.37Å; L1005-Q1008 PolarHBondContact O-N 2.97Å; L1005-Q1009 WeakPolarHBondContact O-CB 3.17Å; L1005-Q1009 PolarHBondContact O-N 3.08Å |
| 1006 | L | 77.8 | Confident | 72.3 | Confident | 100 Ų | 100 | 109.3 Ų | 109.3 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.5 | -75.5 | 168.6 | 0 | 0 | 0 | 111.9 | K1002 I1003 Q1009 H1010 | K1002-L1006 HydrophobicContact CG-CD1 4.48Å; K1002-L1006 WeakPolarHBondContact O-CB 3.47Å; K1002-L1006 VanDerWaalsContact O-CG 3.23Å; K1002-L1006 WeakPolarHBondContact O-CG 3.23Å; K1002-L1006 PolarHBondContact O-N 3.27Å; I1003-L1006 PolarHBondContact O-N 2.94Å; L1006-Q1009 PolarHBondContact O-N 3.2Å; L1006-H1010 WeakPolarHBondContact O-CB 3.28Å; L1006-H1010 PolarHBondContact O-N 2.78Å |
| 1007 | K | 79.5 | Confident | 71 | Confident | 136 Ų | 136 | 107.4 Ų | 107.4 | 59% | 0.591 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 173.3 | -84 | -170.7 | 174 | -172.1 | 0 | 111.9 | I1003 V1004 Q1009 H1010 E1011 | I1003-K1007 PolarHBondContact O-N 3.18Å; V1004-K1007 PolarHBondContact O-N 3.48Å; K1007-Q1009 VanDerWaalsContact C-N 3.33Å; K1007-Q1009 PolarHBondContact O-N 3.18Å; K1007-H1010 PolarHBondContact O-N 3.08Å; K1007-E1011 WeakPolarHBondContact O-CG 3.25Å; K1007-E1011 PolarHBondContact O-N 2.98Å |
| 1008 | Q | 77.7 | Confident | 69.3 | Low | 106 Ų | 106 | 112.2 Ų | 112.2 | 50% | 0.495 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -37.1 | 176.2 | -76.2 | -177.7 | -14.4 | 0 | 0 | 112.5 | V1004 L1005 K1012 | V1004-Q1008 WeakPolarHBondContact O-CG 3.39Å; V1004-Q1008 PolarHBondContact O-N 3.4Å; L1005-Q1008 PolarHBondContact O-N 2.97Å; Q1008-K1012 WeakPolarHBondContact O-CB 3.48Å; Q1008-K1012 VanDerWaalsContact O-CG 3.3Å; Q1008-K1012 WeakPolarHBondContact O-CG 3.22Å; Q1008-K1012 PolarHBondContact O-N 3.33Å |
| 1009 | Q | 75.7 | Confident | 67.8 | Low | 108 Ų | 108 | 116 Ų | 116 | 51% | 0.505 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.2 | -40.9 | 172.9 | -81.8 | -179.3 | -33.8 | 0 | 0 | 111.7 | L1005 L1006 K1007 K1012 L1013 | L1005-Q1009 WeakPolarHBondContact O-CB 3.17Å; L1005-Q1009 PolarHBondContact O-N 3.08Å; L1006-Q1009 PolarHBondContact O-N 3.2Å; K1007-Q1009 VanDerWaalsContact C-N 3.33Å; K1007-Q1009 PolarHBondContact O-N 3.18Å; Q1009-K1012 PolarHBondContact O-N 3.05Å; Q1009-L1013 WeakPolarHBondContact O-CB 3.49Å; Q1009-L1013 WeakPolarHBondContact O-CG 3.48Å; Q1009-L1013 PolarHBondContact O-N 3.2Å |
| 1010 | H | 74.8 | Confident | 66.1 | Low | 113 Ų | 113 | 117.8 Ų | 117.8 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.2 | -40.7 | 178.8 | -157.6 | 66.8 | 0 | 0 | 0 | 112.1 | L1006 K1007 L1013 Q1014 | L1006-H1010 WeakPolarHBondContact O-CB 3.28Å; L1006-H1010 PolarHBondContact O-N 2.78Å; K1007-H1010 PolarHBondContact O-N 3.08Å; H1010-L1013 PolarHBondContact O-N 2.92Å; H1010-Q1014 PolarHBondContact NE2-NE2 3.43Å; H1010-Q1014 VanDerWaalsContact NE2-NE2 3.19Å; H1010-Q1014 WeakPolarHBondContact O-CG 3.38Å; H1010-Q1014 PolarHBondContact O-N 3.2Å |
| 1011 | E | 75.3 | Confident | 64.1 | Low | 124 Ų | 124 | 118 Ų | 118 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.5 | -40.7 | 174.1 | -74.3 | 171.6 | -179.6 | 0 | 0 | 111.7 | K1007 Q1014 S1015 | K1007-E1011 WeakPolarHBondContact O-CG 3.25Å; K1007-E1011 PolarHBondContact O-N 2.98Å; E1011-Q1014 PolarHBondContact O-N 3.21Å; E1011-S1015 PolarHBondContact O-N 2.88Å; E1011-S1015 PolarHBondContact O-OG 3.4Å |
| 1012 | K | 69.9 | Low | 62.2 | Low | 151 Ų | 151 | 118.7 Ų | 118.7 | 66% | 0.657 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.3 | -43.3 | 173 | -78.2 | 179.5 | 179.7 | -177.1 | 0 | 112 | Q1008 Q1009 S1015 S1016 | Q1008-K1012 WeakPolarHBondContact O-CB 3.48Å; Q1008-K1012 VanDerWaalsContact O-CG 3.3Å; Q1008-K1012 WeakPolarHBondContact O-CG 3.22Å; Q1008-K1012 PolarHBondContact O-N 3.33Å; Q1009-K1012 PolarHBondContact O-N 3.05Å; K1012-S1015 PolarHBondContact O-N 2.75Å; K1012-S1015 PolarHBondContact O-OG 2.8Å; K1012-S1016 WeakPolarHBondContact O-CB 3.45Å; K1012-S1016 PolarHBondContact O-N 3.1Å |
| 1013 | L | 57.9 | Low | 60.5 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.9 | -36.9 | 178 | -75.6 | 163.9 | 0 | 0 | 0 | 112.4 | Q1009 H1010 S1016 N1017 | Q1009-L1013 WeakPolarHBondContact O-CB 3.49Å; Q1009-L1013 WeakPolarHBondContact O-CG 3.48Å; Q1009-L1013 PolarHBondContact O-N 3.2Å; H1010-L1013 PolarHBondContact O-N 2.92Å; L1013-S1016 PolarHBondContact O-N 2.65Å; L1013-N1017 WeakPolarHBondContact O-CB 3.31Å; L1013-N1017 PolarHBondContact O-N 2.75Å; L1013-N1017 VanDerWaalsContact O-N 3.14Å |
| 1014 | Q | 57.4 | Low | 58.8 | Low | 118 Ų | 118 | 123.9 Ų | 123.9 | 55% | 0.551 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.8 | -37.1 | 175 | -74.4 | -176.7 | -11.5 | 0 | 0 | 112.5 | H1010 E1011 S1016 N1017 | H1010-Q1014 PolarHBondContact NE2-NE2 3.43Å; H1010-Q1014 VanDerWaalsContact NE2-NE2 3.19Å; H1010-Q1014 WeakPolarHBondContact O-CG 3.38Å; H1010-Q1014 PolarHBondContact O-N 3.2Å; E1011-Q1014 PolarHBondContact O-N 3.21Å; Q1014-S1016 VanDerWaalsContact C-N 3.32Å; Q1014-S1016 PolarHBondContact O-N 3.36Å; Q1014-N1017 PolarHBondContact O-N 3.29Å |
| 1015 | S | 56 | Low | 56.6 | Low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.9 | -25.3 | 174.4 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | E1011 K1012 | E1011-S1015 PolarHBondContact O-N 2.88Å; E1011-S1015 PolarHBondContact O-OG 3.4Å; K1012-S1015 PolarHBondContact O-N 2.75Å; K1012-S1015 PolarHBondContact O-OG 2.8Å |
| 1016 | S | 51.4 | Low | 54.5 | Low | 72 Ų | 72 | 131.3 Ų | 131.3 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -83.3 | -21 | 175.6 | -167.2 | 0 | 0 | 0 | 0 | 113.4 | K1012 L1013 Q1014 | K1012-S1016 WeakPolarHBondContact O-CB 3.45Å; K1012-S1016 PolarHBondContact O-N 3.1Å; L1013-S1016 PolarHBondContact O-N 2.65Å; Q1014-S1016 VanDerWaalsContact C-N 3.32Å; Q1014-S1016 PolarHBondContact O-N 3.36Å |
| 1017 | N | 46.5 | Very low | 52.6 | Low | 116 Ų | 116 | 130.2 Ų | 130.2 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 6.7 | -178.4 | -94.3 | -9.2 | 0 | 0 | 0 | 114.8 | L1013 Q1014 | L1013-N1017 WeakPolarHBondContact O-CB 3.31Å; L1013-N1017 PolarHBondContact O-N 2.75Å; L1013-N1017 VanDerWaalsContact O-N 3.14Å; Q1014-N1017 PolarHBondContact O-N 3.29Å |
| 1018 | Y | 40.4 | Very low | 50.7 | Low | 201 Ų | 201 | 131.5 Ų | 131.5 | 79% | 0.788 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 3.5 | 172 | -131 | -92 | 0 | 0 | 0 | 114.1 | ||
| 1019 | N | 43.6 | Very low | 48.7 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -124.2 | 14 | 179.7 | -94.2 | -13.2 | 0 | 0 | 0 | 114.6 | ||
| 1020 | I | 42.6 | Very low | 46.8 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 64% | 0.641 | 70% | 0.703 | S | S | * | * | trans | -131.7 | 59.4 | 174.3 | -49.5 | 178.5 | 0 | 0 | 0 | 108.3 | ||||
| 1021 | N | 33.2 | Very low | 45 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | -100.5 | 96.8 | 153.6 | -82.3 | -21.3 | 0 | 0 | 0 | 105.5 | ||||
| 1022 | N | 35.6 | Very low | 43 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 168.1 | 123.8 | 146.6 | -81.1 | -24.3 | 0 | 0 | 0 | 108.6 | ||||
| 1023 | N | 41.4 | Very low | 41 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 97.8 | 103.5 | 164.8 | -53 | -14.5 | 0 | 0 | 0 | 117.3 | ||
| 1024 | E | 41.2 | Very low | 39.8 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | 87.1 | 76.4 | 140.7 | -66.4 | 179.2 | 158.9 | 0 | 0 | 118.9 | ||||
| 1025 | L | 31.5 | Very low | 38.7 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -47.1 | 142 | 136.8 | -139.4 | 95.2 | 0 | 0 | 0 | 111.9 | ||||
| 1026 | I | 35.5 | Very low | 37.7 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 133.7 | 126.9 | 139.6 | -66.5 | 154.8 | 0 | 0 | 0 | 114.7 | ||||
| 1027 | A | 37.6 | Very low | 36.8 | Very low | 76 Ų | 76 | 156.4 Ų | 156.4 | 63% | 0.628 | 80% | 0.796 | S | S | * | * | trans | 84.6 | 90.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1028 | N | 39 | Very low | 36 | Very low | 164 Ų | 164 | 157.3 Ų | 157.3 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | -176.1 | 119.9 | 90.3 | -90.7 | -29.7 | 0 | 0 | 0 | 111.7 | |||||
| 1029 | N | 35.8 | Very low | 35.7 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -72.2 | 169.4 | 166 | -79.8 | -28.4 | 0 | 0 | 0 | 110.9 | ||||
| 1030 | D | 36.8 | Very low | 35.1 | Very low | 146 Ų | 146 | 157 Ų | 157 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | 93.1 | 83 | 156.8 | -50.6 | -30.9 | 0 | 0 | 0 | 117.3 | ||||
| 1031 | R | 35.7 | Very low | 34.5 | Very low | 251 Ų | 251 | 161.2 Ų | 161.2 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | -165.4 | 111.7 | 115.9 | -103.2 | 168.4 | -167.4 | 175.5 | 5.1 | 112.2 | |||||
| 1032 | E | 33.3 | Very low | 34.4 | Very low | 199 Ų | 199 | 159.1 Ų | 159.1 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -59.1 | 142.4 | 175.4 | -66.8 | 168.3 | 122.8 | 0 | 0 | 113.8 | ||||
| 1033 | G | 29.6 | Very low | 34.1 | Very low | 66 Ų | 66 | 160.8 Ų | 160.8 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | 70.4 | 81.3 | 109 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1034 | N | 31.1 | Very low | 33.5 | Very low | 158 Ų | 158 | 158 Ų | 158 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 172.8 | 102 | 138.7 | -100.7 | -30.1 | 0 | 0 | 0 | 108.1 | ||||
| 1035 | N | 34.4 | Very low | 32.9 | Very low | 144 Ų | 144 | 156 Ų | 156 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -171.4 | -8.3 | 149.4 | -94.1 | -21.4 | 0 | 0 | 0 | 115.9 | R1037 | N1035-R1037 VanDerWaalsContact C-N 3.29Å; N1035-R1037 PolarHBondContact O-N 3.39Å; N1035-R1037 VanDerWaalsContact O-N 3.1Å | ||
| 1036 | D | 34.7 | Very low | 32.9 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 34.4 | -176.7 | -63.8 | -24.3 | 0 | 0 | 0 | 115.5 | ||
| 1037 | R | 32.7 | Very low | 32.5 | Very low | 236 Ų | 236 | 157.6 Ų | 157.6 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 9.1 | 175 | -92.5 | -173.3 | -175.1 | 173.4 | 3.8 | 115.8 | N1035 | N1035-R1037 VanDerWaalsContact C-N 3.29Å; N1035-R1037 PolarHBondContact O-N 3.39Å; N1035-R1037 VanDerWaalsContact O-N 3.1Å |
| 1038 | N | 31.1 | Very low | 32 | Very low | 135 Ų | 135 | 162.5 Ų | 162.5 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -110.5 | 3.3 | -179 | -77.5 | -22 | 0 | 0 | 0 | 115.9 | ||
| 1039 | E | 32.8 | Very low | 31.5 | Very low | 177 Ų | 177 | 165.8 Ų | 165.8 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -102.4 | 2.2 | -179.1 | -116 | 177.2 | 167.8 | 0 | 0 | 115.7 | ||
| 1040 | L | 30.9 | Very low | 31.2 | Very low | 174 Ų | 174 | 165 Ų | 165 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -113 | 13.1 | 175.1 | -100.9 | 108.9 | 0 | 0 | 0 | 114.7 | ||
| 1041 | R | 30.1 | Very low | 30.7 | Very low | 212 Ų | 212 | 163.3 Ų | 163.3 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -117.3 | 4.8 | -180 | -110 | -178.8 | 179.4 | -179.2 | 0.1 | 115.8 | ||
| 1042 | S | 30.8 | Very low | 30.3 | Very low | 92 Ų | 92 | 161.6 Ų | 161.6 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -98.8 | 0.2 | 178.3 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1043 | Q | 30.9 | Very low | 30.1 | Very low | 179 Ų | 179 | 160 Ų | 160 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -100 | 7.5 | 177.4 | -70.6 | -171.2 | -2 | 0 | 0 | 115 | ||
| 1044 | S | 28.7 | Very low | 30 | Very low | 91 Ų | 91 | 168.7 Ų | 168.7 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -108.5 | 13.9 | -176.4 | 70.4 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1045 | L | 28.6 | Very low | 30 | Very low | 149 Ų | 149 | 167.2 Ų | 167.2 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -114.6 | 4.9 | 178.3 | -86.6 | 165 | 0 | 0 | 0 | 115.4 | ||
| 1046 | V | 30.2 | Very low | 29.7 | Very low | 130 Ų | 130 | 164.5 Ų | 164.5 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -92.3 | 0.1 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 113 | ||
| 1047 | Y | 27.4 | Very low | 29.3 | Very low | 218 Ų | 218 | 162.1 Ų | 162.1 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -101.5 | 29.2 | -177.9 | -89.6 | -79.4 | 0 | 0 | 0 | 115.5 | ||
| 1048 | K | 26.2 | Very low | 29.2 | Very low | 180 Ų | 180 | 156.4 Ų | 156.4 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -123.9 | 24.1 | -176.7 | -137.1 | 177.8 | -175.3 | -179.8 | 0 | 116.8 | ||
| 1049 | Y | 28.5 | Very low | 29 | Very low | 232 Ų | 232 | 155.2 Ų | 155.2 | 91% | 0.91 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -129.3 | 17.1 | 172.6 | -85.7 | -78.9 | 0 | 0 | 0 | 115 | ||
| 1050 | V | 29.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -120.3 | 57.5 | 176.8 | -170.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1051 | S | 27 | Very low | 28.8 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -164.1 | 43 | 178.1 | -70.6 | 0 | 0 | 0 | 0 | 113 | ||
| 1052 | F | 27.2 | Very low | 28.6 | Very low | 216 Ų | 216 | 143.1 Ų | 143.1 | 95% | 0.947 | 76% | 0.755 | S | S | * | * | trans | -156.7 | 70.1 | 168.9 | -111.9 | -79.7 | 0 | 0 | 0 | 111.5 | ||||
| 1053 | E | 29.7 | Very low | 28.5 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | trans | -161.4 | 66.4 | 156.1 | -110.8 | 174 | -171.3 | 0 | 0 | 109.8 | L1055 | E1053-L1055 HydrophobicContact CB-CD1 4.43Å; E1053-L1055 HydrophobicContact CG-CD1 3.73Å; E1053-L1055 HydrophobicContact CG-CG 3.99Å; E1053-L1055 PolarHBondContact O-N 3.11Å | ||
| 1054 | R | 26.8 | Very low | 28.4 | Very low | 249 Ų | 249 | 143.8 Ų | 143.8 | 94% | 0.94 | 76% | 0.759 | S | S | * | * | trans | -70.6 | 80.8 | 149.4 | -83.9 | -174.9 | -142.1 | -173.1 | 4.8 | 106.6 | S1056 | R1054-S1056 VanDerWaalsContact C-N 3.3Å; R1054-S1056 PolarHBondContact O-N 3.08Å | ||
| 1055 | L | 31.6 | Very low | 28.4 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 67% | 0.665 | 76% | 0.764 | S | S | * | * | trans | -76.6 | 91.3 | 167.2 | -84.7 | 158.7 | 0 | 0 | 0 | 108.1 | E1053 | E1053-L1055 HydrophobicContact CB-CD1 4.43Å; E1053-L1055 HydrophobicContact CG-CD1 3.73Å; E1053-L1055 HydrophobicContact CG-CG 3.99Å; E1053-L1055 PolarHBondContact O-N 3.11Å | ||
| 1056 | S | 28.7 | Very low | 28.4 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | trans | -41.2 | 145.6 | 150.7 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | R1054 V1058 | R1054-S1056 VanDerWaalsContact C-N 3.3Å; R1054-S1056 PolarHBondContact O-N 3.08Å; S1056-V1058 VanDerWaalsContact C-N 3.32Å; S1056-V1058 PolarHBondContact O-N 3.17Å | ||
| 1057 | P | 26.1 | Very low | 28.4 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -68.3 | 93.9 | 178.8 | 29.3 | -31.7 | 0 | 0 | 0 | 108.5 | T1059 | P1057-T1059 PolarHBondContact O-N 3.1Š| ||
| 1058 | V | 30 | Very low | 28.5 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | trans | -69.4 | 99.2 | 172 | -179.3 | 0 | 0 | 0 | 0 | 106.7 | S1056 | S1056-V1058 VanDerWaalsContact C-N 3.32Å; S1056-V1058 PolarHBondContact O-N 3.17Å | ||
| 1059 | T | 27.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 142 Ų | 142 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -52.1 | 126.2 | 156.8 | 43.3 | 0 | 0 | 0 | 0 | 108 | P1057 S1061 | P1057-T1059 PolarHBondContact O-N 3.1Å; T1059-S1061 VanDerWaalsContact C-N 3.32Å; T1059-S1061 PolarHBondContact O-N 3.11Å | ||
| 1060 | P | 30.1 | Very low | 28.8 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -71.2 | 99.5 | 168.2 | 28.1 | -27.4 | 0 | 0 | 0 | 106.5 | T1062 | P1060-T1062 PolarHBondContact O-N 2.95Š| ||
| 1061 | S | 28 | Very low | 28.7 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | -59.5 | 125.2 | 159 | 37.8 | 0 | 0 | 0 | 0 | 107.7 | T1059 Q1063 | T1059-S1061 VanDerWaalsContact C-N 3.32Å; T1059-S1061 PolarHBondContact O-N 3.11Å; S1061-Q1063 PolarHBondContact O-N 3.19Å | ||
| 1062 | T | 26.8 | Very low | 28.9 | Very low | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | -19.1 | 116.7 | 154.7 | 39.5 | 0 | 0 | 0 | 0 | 113.5 | P1060 | P1060-T1062 PolarHBondContact O-N 2.95Š| ||
| 1063 | Q | 28.8 | Very low | 29 | Very low | 192 Ų | 192 | 137.5 Ų | 137.5 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | trans | -126.9 | 96.9 | 156.8 | -86.8 | -170.4 | -15.2 | 0 | 0 | 110.9 | S1061 | S1061-Q1063 PolarHBondContact O-N 3.19Š| ||
| 1064 | S | 27.9 | Very low | 29 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | -59.9 | 139.1 | 150.2 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1065 | I | 29.8 | Very low | 29.2 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | 60.3 | 107.8 | 126.2 | -57.6 | 171.4 | 0 | 0 | 0 | 117.9 | |||||
| 1066 | H | 27.2 | Very low | 29.1 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | trans | 58.7 | 140.8 | 135.5 | -82.4 | -88.6 | 0 | 0 | 0 | 123 | ||||
| 1067 | L | 31.7 | Very low | 29.4 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | 102.2 | 99.3 | 151.1 | -67.3 | 152.2 | 0 | 0 | 0 | 119.6 | ||||
| 1068 | N | 28.8 | Very low | 29.5 | Very low | 120 Ų | 120 | 137 Ų | 137 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | 40.5 | 128.6 | 119.1 | -100.8 | 5.4 | 0 | 0 | 0 | 122.3 | |||||
| 1069 | V | 30.6 | Very low | 29.7 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | 101.9 | 140.2 | 142.1 | 177.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1070 | P | 30.6 | Very low | 29.8 | Very low | 101 Ų | 101 | 137 Ų | 137 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | trans | -112.4 | 175.7 | -146.4 | 41.5 | -29.7 | 0 | 0 | 0 | 115.6 | ||||
| 1071 | N | 28.3 | Very low | 30 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 62.2 | 109.4 | 162.7 | -68.9 | -11.6 | 0 | 0 | 0 | 117.4 | ||||
| 1072 | L | 30.4 | Very low | 30.2 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | -163.5 | 142.2 | 129.6 | -107.1 | 137.8 | 0 | 0 | 0 | 111.7 | |||||
| 1073 | H | 28.6 | Very low | 30.4 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -56.9 | 159.1 | -178.3 | -107.8 | -96.4 | 0 | 0 | 0 | 114.9 | ||||
| 1074 | D | 29.5 | Very low | 30.7 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | trans | 86.1 | 127.4 | 142 | -74.6 | -0.1 | 0 | 0 | 0 | 122.3 | ||||
| 1075 | N | 32.6 | Very low | 30.9 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 84.8 | 107.1 | 141.3 | -62.7 | -24.3 | 0 | 0 | 0 | 120.7 | ||||
| 1076 | R | 29 | Very low | 31.1 | Very low | 239 Ų | 239 | 149.7 Ų | 149.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -52.4 | 157.5 | 155.3 | -121.8 | -177.9 | -153.7 | -174.4 | 6.3 | 111.6 | ||||
| 1077 | P | 33.8 | Very low | 31.6 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -147.2 | 174.2 | 90.1 | 34.1 | -13.5 | 0 | 0 | 0 | 117.1 | |||||
| 1078 | S | 29.2 | Very low | 31.8 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -71.2 | 150.1 | -169.3 | 45.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 1079 | I | 34.6 | Very low | 31.9 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -149.1 | 123.8 | 146.4 | -54.2 | 177 | 0 | 0 | 0 | 104.1 | ||||
| 1080 | G | 29.3 | Very low | 32.2 | Very low | 54 Ų | 54 | 148 Ų | 148 | 56% | 0.557 | 79% | 0.786 | S | S | * | * | cis | 122.1 | 105.9 | 24.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1081 | F | 34.3 | Very low | 32.2 | Very low | 215 Ų | 215 | 150.4 Ų | 150.4 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -162.2 | 133.4 | 154.6 | -99.3 | -67.6 | 0 | 0 | 0 | 111.5 | ||||
| 1082 | E | 33.5 | Very low | 32.6 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -76.5 | 160.1 | -162.7 | -74.4 | 164.8 | 122.4 | 0 | 0 | 116.7 | ||||
| 1083 | N | 30.4 | Very low | 32.8 | Very low | 154 Ų | 154 | 153.2 Ų | 153.2 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -66.5 | 145.2 | 168.8 | -73.4 | -40.2 | 0 | 0 | 0 | 113 | ||||
| 1084 | L | 35.5 | Very low | 33 | Very low | 177 Ų | 177 | 152.8 Ų | 152.8 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -144.5 | 100.7 | 148.9 | -103.1 | 155.4 | 0 | 0 | 0 | 109 | ||||
| 1085 | N | 31.8 | Very low | 33.2 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | -81.8 | 132 | 160.3 | -86.6 | -21.9 | 0 | 0 | 0 | 108.3 | ||||
| 1086 | N | 33.7 | Very low | 33.2 | Very low | 141 Ų | 141 | 154.9 Ų | 154.9 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | 151.4 | 147.4 | 123.7 | -90.5 | -13.3 | 0 | 0 | 0 | 113.6 | |||||
| 1087 | H | 36.9 | Very low | 33.5 | Very low | 152 Ų | 152 | 150 Ų | 150 | 70% | 0.704 | 82% | 0.818 | S | S | * | * | trans | 86.8 | 104.4 | 156.1 | -75.9 | -59.3 | 0 | 0 | 0 | 120.2 | ||||
| 1088 | N | 36.6 | Very low | 33.4 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 67% | 0.674 | 82% | 0.819 | S | S | * | * | 65.7 | 122.1 | 119.1 | -71.9 | -5.1 | 0 | 0 | 0 | 120 | |||||
| 1089 | N | 32 | Very low | 33.7 | Very low | 146 Ų | 146 | 154.8 Ų | 154.8 | 78% | 0.781 | 83% | 0.825 | S | S | * | * | trans | 46.8 | 109.8 | 134.2 | -66.6 | -10.8 | 0 | 0 | 0 | 117.2 | ||||
| 1090 | S | 36 | Very low | 33.7 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | -176.5 | 143.5 | 111.2 | 32.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1091 | N | 31.3 | Very low | 34 | Very low | 151 Ų | 151 | 161.2 Ų | 161.2 | 81% | 0.807 | 84% | 0.841 | S | S | * | * | trans | -49.6 | 158.8 | 173.5 | -64 | -45.3 | 0 | 0 | 0 | 113.5 | ||||
| 1092 | V | 35.7 | Very low | 34 | Very low | 130 Ų | 130 | 156.8 Ų | 156.8 | 79% | 0.788 | 83% | 0.833 | S | S | * | * | trans | 135.7 | 118.9 | 133.5 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1093 | M | 34.6 | Very low | 34 | Very low | 259 Ų | 259 | 154.3 Ų | 154.3 | 100% | 1.276 | 83% | 0.83 | S | S | * | * | trans | 75.3 | 0 | 163.4 | -79.8 | -176.9 | 177.2 | 0 | 0 | 120.5 |
Retrieved 1,093 of 1,093 residues in 330.2 ms
(Link to these results)