| 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 | 29.7 | Very low | 62 | Low | 249 Ų | 249 | 119.2 Ų | 119.2 | 100% | 1.227 | 58% | 0.583 | S | S | * | * | 0 | 101.3 | 0 | -79.1 | -177.7 | 153.6 | 0 | 0 | 107.5 | |||||
| 2 | S | 38.9 | Very low | 64.6 | Low | 85 Ų | 85 | 109.3 Ų | 109.3 | 59% | 0.594 | 53% | 0.534 | S | S | * | . | trans | -170.4 | -9.7 | 167.5 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | R4 E5 | S2-R4 PolarHBondContact O-N 3.24Å; S2-E5 PolarHBondContact O-N 2.87Å | ||
| 3 | N | 41.1 | Very low | 66.9 | Low | 159 Ų | 159 | 100.8 Ų | 100.8 | 85% | 0.85 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -1.1 | -179.7 | -78.1 | 5 | 0 | 0 | 0 | 116.7 | ||
| 4 | R | 42.5 | Very low | 68.9 | Low | 238 Ų | 238 | 93.6 Ų | 93.6 | 90% | 0.898 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -9.8 | 176.7 | -80.2 | -170 | 179.2 | -175.2 | -0.4 | 114.4 | S2 | S2-R4 PolarHBondContact O-N 3.24Š|
| 5 | E | 47.3 | Very low | 70.6 | Confident | 176 Ų | 176 | 88.7 Ų | 88.7 | 82% | 0.822 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.3 | -174.5 | -78.5 | -175.2 | 159.9 | 0 | 0 | 115.4 | S2 | S2-E5 PolarHBondContact O-N 2.87Š|
| 6 | C | 60.8 | Low | 72 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1.6 | -173.9 | -70.9 | 0 | 0 | 0 | 0 | 115.6 | R355 P356 | C6-R355 WeakPolarHBondContact O-CA 3.25Å; C6-P356 WeakPolarHBondContact O-CD 3.36Å |
| 7 | Q | 69.5 | Low | 73.2 | Confident | 90 Ų | 90 | 80.1 Ų | 80.1 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | trans | -97.4 | 118.2 | 177.4 | -74.4 | 176.8 | -63.5 | 0 | 0 | 110 | E353 R355 | Q7-E353 PolarHBondContact NE2-OE2 2.92Å; Q7-R355 HydrophobicContact CG-CG 4.01Å | ||
| 8 | Q | 82.1 | Confident | 74 | Confident | 53 Ų | 53 | 79.8 Ų | 79.8 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.5 | -179.9 | -173.7 | 178.6 | -4 | 0 | 0 | 109.5 | K322 N354 P356 | Q8-K322 VanDerWaalsContact OE1-CE 3.27Å; Q8-N354 PolarHBondContact N-O 3.25Å; Q8-N354 PolarHBondContact O-N 3.08Å; Q8-P356 HydrophobicContact CB-CG 4.11Å |
| 9 | N | 87.3 | Confident | 74.6 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 43% | 0.428 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 148.7 | 174 | -65.1 | 26.1 | 0 | 0 | 0 | 110.4 | R11 I352 | N9-R11 PolarHBondContact O-N 3.09Å; N9-I352 WeakPolarHBondContact CA-O 3.5Å |
| 10 | I | 90.9 | Very high | 75 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.015 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 127.7 | 172.4 | -63.2 | -174.4 | 0 | 0 | 0 | 109.4 | V12 L317 T323 I325 I352 | I10-V12 HydrophobicContact CG2-CG2 4.19Å; I10-L317 HydrophobicContact CD1-CD2 3.86Å; I10-T323 HydrophobicContact CD1-CG2 3.98Å; I10-T323 HydrophobicContact CG1-CG2 4.24Å; I10-T323 HydrophobicContact CG2-CG2 3.97Å; I10-I325 HydrophobicContact CG2-CD1 3.83Å; I10-I325 HydrophobicContact CG2-CG1 3.9Å; I10-I352 HydrophobicContact CD1-CB 3.69Å; I10-I352 HydrophobicContact CD1-CD1 4.13Å; I10-I352 HydrophobicContact CD1-CG1 4.48Å; I10-I352 HydrophobicContact CD1-CG2 3.77Å; I10-I352 HydrophobicContact CG1-CB 4.11Å; I10-I352 HydrophobicContact CG1-CG2 4.29Å; I10-I352 PolarHBondContact N-O 3.45Å; I10-I352 VanDerWaalsContact N-O 3.12Å |
| 11 | R | 91.5 | Very high | 75.2 | Confident | 99 Ų | 99 | 82 Ų | 82 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 131.1 | 174 | -67.8 | -177.6 | 178.3 | 172.1 | 3.1 | 110.1 | N9 D53 M69 T323 S324 I325 | N9-R11 PolarHBondContact O-N 3.09Å; R11-D53 WeakPolarHBondContact CA-OD2 3.3Å; R11-M69 HydrophobicContact CB-CE 4.45Å; R11-T323 PolarHBondContact N-O 3.38Å; R11-S324 WeakPolarHBondContact CB-OG 3.42Å; R11-S324 CarbonylContact O-C 3.36Å; R11-S324 WeakPolarHBondContact O-CA 3.32Å; R11-I325 PolarHBondContact O-N 3.01Å |
| 12 | V | 93.3 | Very high | 77.4 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.9 | -177.1 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | I10 F52 D53 I325 A346 K350 | I10-V12 HydrophobicContact CG2-CG2 4.19Å; V12-F52 HydrophobicContact CB-CD1 4.22Å; V12-F52 HydrophobicContact CG1-CD1 3.6Å; V12-F52 HydrophobicContact CG1-CE1 4.05Å; V12-D53 PolarHBondContact N-OD2 2.83Å; V12-D53 WeakPolarHBondContact O-CB 3.43Å; V12-D53 PolarHBondContact O-N 2.89Å; V12-I325 WeakPolarHBondContact CA-O 3.48Å; V12-I325 HydrophobicContact CG2-CB 4.38Å; V12-A346 HydrophobicContact CG1-CB 3.82Å; V12-K350 HydrophobicContact CB-CB 4.39Å; V12-K350 HydrophobicContact CG2-CB 3.77Å; V12-K350 HydrophobicContact CG2-CG 4.38Å |
| 13 | A | 94.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H54 F56 M69 I325 I326 A327 | A13-H54 CarbonylContact C-O 3.57Å; A13-H54 WeakPolarHBondContact CA-O 3.41Å; A13-H54 HydrophobicContact CB-CB 3.95Å; A13-F56 HydrophobicContact CB-CD2 4.28Å; A13-F56 HydrophobicContact CB-CE2 3.78Å; A13-M69 HydrophobicContact CB-CE 3.59Å; A13-M69 HydrophobicContact CB-CG 3.96Å; A13-M69 HydrophobicContact CB-SD 3.52Å; A13-M69 VanDerWaalsContact CB-SD 3.52Å; A13-I325 PolarHBondContact N-O 3.13Å; A13-I326 CarbonylContact O-C 3.5Å; A13-I326 WeakPolarHBondContact O-CA 3.35Å; A13-A327 PolarHBondContact O-N 3.16Å |
| 14 | V | 95.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.9 | 171.6 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | V39 F52 H54 V55 F56 A327 I329 L343 | V14-V39 HydrophobicContact CB-CG2 4.1Å; V14-V39 HydrophobicContact CG1-CG2 3.98Å; V14-V39 HydrophobicContact CG2-CG2 4.35Å; V14-F52 HydrophobicContact CB-CD2 4.31Å; V14-F52 HydrophobicContact CG2-CB 4.33Å; V14-F52 HydrophobicContact CG2-CD1 3.97Å; V14-F52 HydrophobicContact CG2-CD2 3.32Å; V14-F52 HydrophobicContact CG2-CE1 4.05Å; V14-F52 HydrophobicContact CG2-CE2 3.42Å; V14-F52 VanDerWaalsContact CG2-CE2 3.42Å; V14-F52 HydrophobicContact CG2-CG 3.59Å; V14-F52 HydrophobicContact CG2-CZ 3.79Å; V14-H54 PolarHBondContact N-O 3.31Å; V14-V55 HydrophobicContact CB-CG2 4.46Å; V14-V55 CarbonylContact O-C 3.53Å; V14-V55 WeakPolarHBondContact O-CA 3.5Å; V14-F56 PolarHBondContact O-N 2.87Å; V14-A327 CarbonylContact C-O 3.57Å; V14-A327 WeakPolarHBondContact CA-O 3.42Å; V14-A327 HydrophobicContact CG2-CB 4.23Å; V14-I329 HydrophobicContact CG1-CD1 3.6Å; V14-I329 HydrophobicContact CG1-CG1 3.87Å; V14-I329 HydrophobicContact CG1-CG2 4.41Å; V14-L343 HydrophobicContact CG1-CD2 4Å; V14-L343 HydrophobicContact CG2-CD2 3.77Å |
| 15 | R | 94.7 | Very high | 83 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 115.3 | 173.9 | -175.3 | -177.8 | -174.4 | 171.9 | 9.3 | 110.3 | F56 T98 I326 A327 T328 I329 | R15-F56 HydrophobicContact CB-CB 4.31Å; R15-F56 HydrophobicContact CG-CB 4.12Å; R15-T98 VanDerWaalsContact NH1-CB 3.32Å; R15-T98 VanDerWaalsContact NH1-CG2 3.32Å; R15-T98 PolarHBondContact NH1-OG1 3.02Å; R15-I326 HydrophobicContact CB-CG2 4.26Å; R15-A327 PolarHBondContact N-O 2.64Å; R15-T328 HydrophobicContact CB-CG2 4.39Å; R15-T328 CarbonylContact O-C 3.57Å; R15-T328 WeakPolarHBondContact O-CA 3.45Å; R15-I329 PolarHBondContact O-N 2.72Å |
| 16 | C | 93.4 | Very high | 84.6 | Confident | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.034 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.3 | 171.6 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | F56 N57 Q58 I329 | C16-F56 PolarHBondContact N-O 2.8Å; C16-N57 CarbonylContact O-C 3.57Å; C16-Q58 WeakPolarHBondContact O-CA 3.45Å; C16-I329 HydrophobicContact CB-CD1 4.31Å; C16-I329 HydrophobicContact CB-CG1 4.02Å |
| 17 | R | 91.5 | Very high | 85.4 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 161.2 | 173 | 67.7 | 156.3 | 174.6 | 78.5 | -1.3 | 111.9 | N20 E23 G92 I329 S330 P331 | R17-N20 VanDerWaalsContact NH1-CG 3.27Å; R17-N20 PolarHBondContact NH1-OD1 3.24Å; R17-N20 VanDerWaalsContact NH1-OD1 3.15Å; R17-E23 IonicContact CZ-OE1 3.85Å; R17-E23 IonicContact CZ-OE2 3.94Å; R17-E23 IonicContact NH1-OE1 2.66Å; R17-E23 IonicContact NH1-OE2 3.51Å; R17-E23 PolarHBondContact NH1-OE2 3.45Å; R17-E23 IonicContact NH2-OE1 3.3Å; R17-E23 PolarHBondContact NH2-OE1 2.97Å; R17-E23 IonicContact NH2-OE2 2.71Å; R17-E23 PolarHBondContact NH2-OE2 3.37Å; R17-G92 WeakPolarHBondContact CD-O 3.33Å; R17-G92 PolarHBondContact NE-O 2.82Å; R17-I329 PolarHBondContact N-O 3.29Å; R17-I329 VanDerWaalsContact N-O 3.14Å; R17-S330 PolarHBondContact NH2-OG 3.13Å; R17-S330 VanDerWaalsContact NH2-OG 3.08Å; R17-P331 VanDerWaalsContact O-CD 3.27Å; R17-P331 WeakPolarHBondContact O-CD 3.34Å; R17-P331 WeakPolarHBondContact O-CG 3.35Å |
| 18 | P | 88.2 | Confident | 86 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 157.4 | 166.3 | -17 | 29 | 0 | 0 | 0 | 112.5 | N20 | P18-N20 PolarHBondContact O-N 2.95Å; P18-N20 PolarHBondContact O-OD1 2.72Å |
| 19 | T | 84.4 | Confident | 86 | Confident | 42 Ų | 42 | 71 Ų | 71 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 127.8 | 169.9 | -47.8 | 0 | 0 | 0 | 0 | 110.1 | E23 L24 | T19-E23 HydrophobicContact CG2-CB 3.52Å; T19-L24 HydrophobicContact CG2-CG 3.97Å |
| 20 | N | 82.6 | Confident | 85.9 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 160 | -177 | -72.2 | -3.8 | 0 | 0 | 0 | 111.3 | R17 P18 Q22 E23 L24 | R17-N20 VanDerWaalsContact NH1-CG 3.27Å; R17-N20 PolarHBondContact NH1-OD1 3.24Å; R17-N20 VanDerWaalsContact NH1-OD1 3.15Å; P18-N20 PolarHBondContact O-N 2.95Å; P18-N20 PolarHBondContact O-OD1 2.72Å; N20-Q22 VanDerWaalsContact C-N 3.29Å; N20-Q22 PolarHBondContact O-N 3.41Å; N20-E23 HydrophobicContact CB-CG 4.43Å; N20-E23 PolarHBondContact N-OE2 3.12Å; N20-E23 WeakPolarHBondContact O-CB 3.33Å; N20-E23 PolarHBondContact O-N 3.38Å; N20-L24 PolarHBondContact O-N 2.93Å |
| 21 | K | 79.7 | Confident | 85.7 | Confident | 172 Ų | 172 | 70.3 Ų | 70.3 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -51.6 | -44.6 | 179.1 | -68.4 | -175.8 | 179 | 179.8 | 0 | 113.2 | E23 L24 E25 | K21-E23 VanDerWaalsContact C-N 3.3Å; K21-E23 PolarHBondContact O-N 3.06Å; K21-L24 WeakPolarHBondContact O-CB 3.41Å; K21-L24 PolarHBondContact O-N 3.32Å; K21-E25 WeakPolarHBondContact O-CB 3.31Å; K21-E25 VanDerWaalsContact O-CG 3.27Å; K21-E25 WeakPolarHBondContact O-CG 3.42Å; K21-E25 PolarHBondContact O-N 2.92Å |
| 22 | Q | 76.9 | Confident | 85.5 | Confident | 137 Ų | 137 | 66.4 Ų | 66.4 | 64% | 0.64 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.4 | -32.2 | 177.8 | -67.3 | -179.2 | -3.5 | 0 | 0 | 113.4 | N20 K26 | N20-Q22 VanDerWaalsContact C-N 3.29Å; N20-Q22 PolarHBondContact O-N 3.41Å; Q22-K26 WeakPolarHBondContact O-CB 3.23Å; Q22-K26 VanDerWaalsContact O-CG 3.26Å; Q22-K26 WeakPolarHBondContact O-CG 3.37Å; Q22-K26 PolarHBondContact O-N 2.96Å; Q22-K26 VanDerWaalsContact O-N 3.1Å |
| 23 | E | 80.9 | Confident | 85.3 | Confident | 21 Ų | 21 | 71.1 Ų | 71.1 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -76.4 | -37.2 | 178.5 | -66.6 | 169.7 | 160.9 | 0 | 0 | 110.8 | R17 T19 N20 K21 G27 V28 S330 A332 | R17-E23 IonicContact CZ-OE1 3.85Å; R17-E23 IonicContact CZ-OE2 3.94Å; R17-E23 IonicContact NH1-OE1 2.66Å; R17-E23 IonicContact NH1-OE2 3.51Å; R17-E23 PolarHBondContact NH1-OE2 3.45Å; R17-E23 IonicContact NH2-OE1 3.3Å; R17-E23 PolarHBondContact NH2-OE1 2.97Å; R17-E23 IonicContact NH2-OE2 2.71Å; R17-E23 PolarHBondContact NH2-OE2 3.37Å; T19-E23 HydrophobicContact CG2-CB 3.52Å; N20-E23 HydrophobicContact CB-CG 4.43Å; N20-E23 PolarHBondContact N-OE2 3.12Å; N20-E23 WeakPolarHBondContact O-CB 3.33Å; N20-E23 PolarHBondContact O-N 3.38Å; K21-E23 VanDerWaalsContact C-N 3.3Å; K21-E23 PolarHBondContact O-N 3.06Å; E23-G27 PolarHBondContact O-N 3.22Å; E23-V28 HydrophobicContact CB-CB 4.36Å; E23-V28 HydrophobicContact CB-CG2 4.48Å; E23-V28 PolarHBondContact O-N 3.41Å; E23-S330 PolarHBondContact OE1-OG 3.28Å; E23-A332 HydrophobicContact CG-CB 4.21Å; E23-A332 VanDerWaalsContact OE1-CB 3.29Å; E23-A332 WeakPolarHBondContact OE1-CB 3.12Å |
| 24 | L | 79.3 | Confident | 85 | Confident | 119 Ų | 119 | 72.6 Ų | 72.6 | 62% | 0.623 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 170.9 | -80.2 | 149 | 0 | 0 | 0 | 111.3 | T19 N20 K21 K26 G27 | T19-L24 HydrophobicContact CG2-CG 3.97Å; N20-L24 PolarHBondContact O-N 2.93Å; K21-L24 WeakPolarHBondContact O-CB 3.41Å; K21-L24 PolarHBondContact O-N 3.32Å; L24-K26 VanDerWaalsContact C-N 3.31Å; L24-K26 PolarHBondContact O-N 3.2Å; L24-G27 PolarHBondContact O-N 2.74Å |
| 25 | E | 79.7 | Confident | 84.6 | Confident | 158 Ų | 158 | 76.2 Ų | 76.2 | 74% | 0.738 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.7 | -37.5 | 178.1 | -75.3 | 166 | -170.4 | 0 | 0 | 112.4 | K21 G27 | K21-E25 WeakPolarHBondContact O-CB 3.31Å; K21-E25 VanDerWaalsContact O-CG 3.27Å; K21-E25 WeakPolarHBondContact O-CG 3.42Å; K21-E25 PolarHBondContact O-N 2.92Å; E25-G27 VanDerWaalsContact C-N 3.26Å; E25-G27 PolarHBondContact O-N 2.67Å |
| 26 | K | 81.2 | Confident | 84 | Confident | 164 Ų | 164 | 85.6 Ų | 85.6 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -3.3 | 175.8 | -72.9 | 177.6 | -179 | -179.1 | 0 | 113.9 | Q22 L24 V28 | Q22-K26 WeakPolarHBondContact O-CB 3.23Å; Q22-K26 VanDerWaalsContact O-CG 3.26Å; Q22-K26 WeakPolarHBondContact O-CG 3.37Å; Q22-K26 PolarHBondContact O-N 2.96Å; Q22-K26 VanDerWaalsContact O-N 3.1Å; L24-K26 VanDerWaalsContact C-N 3.31Å; L24-K26 PolarHBondContact O-N 3.2Å; K26-V28 VanDerWaalsContact C-N 3.28Å; K26-V28 HydrophobicContact CB-CG2 3.76Å; K26-V28 PolarHBondContact O-N 2.96Å |
| 27 | G | 76.7 | Confident | 83.6 | Confident | 60 Ų | 60 | 91.2 Ų | 91.2 | 62% | 0.619 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 31 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E23 L24 E25 R29 | E23-G27 PolarHBondContact O-N 3.22Å; L24-G27 PolarHBondContact O-N 2.74Å; E25-G27 VanDerWaalsContact C-N 3.26Å; E25-G27 PolarHBondContact O-N 2.67Å; G27-R29 PolarHBondContact O-N 3.32Å |
| 28 | V | 80.9 | Confident | 83.5 | Confident | 34 Ų | 34 | 95.1 Ų | 95.1 | 21% | 0.206 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -70 | 126.4 | -176.8 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | E23 K26 A332 M333 T334 | E23-V28 HydrophobicContact CB-CB 4.36Å; E23-V28 HydrophobicContact CB-CG2 4.48Å; E23-V28 PolarHBondContact O-N 3.41Å; K26-V28 VanDerWaalsContact C-N 3.28Å; K26-V28 HydrophobicContact CB-CG2 3.76Å; K26-V28 PolarHBondContact O-N 2.96Å; V28-A332 HydrophobicContact CG1-CB 3.89Å; V28-M333 HydrophobicContact CG1-CB 4.24Å; V28-T334 HydrophobicContact CG1-CG2 4.05Å; V28-T334 HydrophobicContact CG2-CG2 4.27Å |
| 29 | R | 83.4 | Confident | 83.6 | Confident | 205 Ų | 205 | 91.5 Ų | 91.5 | 77% | 0.774 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 146.2 | 177.9 | -63 | -176.8 | -175.8 | 179.3 | 1.1 | 111.1 | G27 M333 | G27-R29 PolarHBondContact O-N 3.32Å; R29-M333 WeakPolarHBondContact O-CB 3.25Å; R29-M333 PolarHBondContact O-N 2.81Å |
| 30 | S | 85 | Confident | 83.9 | Confident | 67 Ų | 67 | 91 Ų | 91 | 47% | 0.469 | 45% | 0.447 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 133 | 168.8 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | V32 P331 | S30-V32 PolarHBondContact OG-O 2.99Å; S30-P331 CarbonylContact C-O 3.51Å; S30-P331 VanDerWaalsContact CA-O 3.28Å; S30-P331 WeakPolarHBondContact CA-O 3.29Å |
| 31 | C | 86 | Confident | 84.2 | Confident | 3 Ų | 3 | 87.8 Ų | 87.8 | 2% | 0.02 | 43% | 0.429 | C | S | . | . | trans | -104.5 | -5.2 | 175.4 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | V41 R42 P331 M333 L336 | C31-V41 WeakPolarHBondContact O-CA 3.44Å; C31-R42 PolarHBondContact O-N 2.99Å; C31-P331 PolarHBondContact N-O 3.18Å; C31-P331 PolarHBondContact SG-O 3.31Å; C31-P331 VanDerWaalsContact SG-O 3.34Å; C31-M333 HydrophobicContact CB-CB 4.45Å; C31-M333 HydrophobicContact CB-CE 4.19Å; C31-M333 HydrophobicContact CB-SD 3.86Å; C31-L336 HydrophobicContact CB-CD1 4.1Å | ||
| 32 | V | 88.7 | Confident | 84.4 | Confident | 17 Ų | 17 | 86.2 Ų | 86.2 | 10% | 0.103 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.9 | -173.5 | -172 | 0 | 0 | 0 | 0 | 110.9 | S30 V39 I329 T339 | S30-V32 PolarHBondContact OG-O 2.99Å; V32-V39 HydrophobicContact CG1-CG1 3.54Å; V32-I329 HydrophobicContact CG1-CD1 3.95Å; V32-I329 HydrophobicContact CG2-CD1 4.5Å; V32-T339 HydrophobicContact CG2-CG2 3.99Å |
| 33 | E | 87.6 | Confident | 84.4 | Confident | 99 Ų | 99 | 83 Ų | 83 | 46% | 0.463 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120 | 171.1 | -177.3 | 173.8 | -159.8 | 0 | 0 | 109.7 | T40 R42 | E33-T40 PolarHBondContact N-O 2.93Å; E33-T40 PolarHBondContact O-N 3.35Å; E33-R42 IonicContact OE1-NH2 2.77Å; E33-R42 IonicContact OE2-CZ 3.52Å; E33-R42 IonicContact OE2-NE 2.62Å; E33-R42 IonicContact OE2-NH2 3.67Å; E33-R42 PolarHBondContact OE2-NH2 3.45Å |
| 34 | C | 87.9 | Confident | 84 | Confident | 31 Ų | 31 | 91.6 Ų | 91.6 | 21% | 0.209 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.2 | -175.7 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | V55 N57 | C34-V55 HydrophobicContact CB-CG1 3.74Å; C34-N57 HydrophobicContact CB-CB 3.82Å |
| 35 | S | 87.1 | Confident | 83.7 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 52% | 0.524 | 45% | 0.446 | S | S | . | . | trans | -97.4 | -178.3 | 161.6 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | E37 K38 V55 | S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 3.01Å; S35-K38 PolarHBondContact N-O 3.2Å; S35-V55 WeakPolarHBondContact O-CB 3.31Å; S35-V55 VanDerWaalsContact O-CG1 3.28Å; S35-V55 WeakPolarHBondContact O-CG1 3.45Å | ||
| 36 | R | 81.9 | Confident | 83.5 | Confident | 216 Ų | 216 | 89.7 Ų | 89.7 | 82% | 0.815 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -59.9 | -35.5 | -179.2 | -77.8 | -174.8 | 176.5 | 176 | -1 | 114.3 | V55 | R36-V55 WeakPolarHBondContact O-CB 3Å; R36-V55 PolarHBondContact O-N 3.1Å |
| 37 | E | 85.9 | Confident | 83.6 | Confident | 123 Ų | 123 | 85.6 Ų | 85.6 | 58% | 0.575 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -128.3 | -8.7 | -175.3 | -66.6 | 173.1 | -172.5 | 0 | 0 | 112.8 | S35 T51 F52 | S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 3.01Å; E37-T51 WeakPolarHBondContact O-CA 3.46Å; E37-F52 PolarHBondContact O-N 2.86Å |
| 38 | K | 89 | Confident | 84.1 | Confident | 108 Ų | 108 | 87.7 Ų | 87.7 | 47% | 0.47 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.3 | -173.9 | -67.3 | -178.6 | -178.3 | -179.4 | 0 | 111.2 | S35 V49 F50 T51 | S35-K38 PolarHBondContact N-O 3.2Å; K38-V49 HydrophobicContact CB-CG1 4.36Å; K38-V49 HydrophobicContact CD-CG1 4.31Å; K38-V49 HydrophobicContact CG-CG1 4.47Å; K38-F50 WeakPolarHBondContact CA-O 3.41Å; K38-T51 HydrophobicContact CD-CG2 4.47Å; K38-T51 HydrophobicContact CG-CG2 3.89Å |
| 39 | V | 91.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.1 | 169.6 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | V14 V32 V41 V49 F50 F52 V55 I329 L343 | V14-V39 HydrophobicContact CB-CG2 4.1Å; V14-V39 HydrophobicContact CG1-CG2 3.98Å; V14-V39 HydrophobicContact CG2-CG2 4.35Å; V32-V39 HydrophobicContact CG1-CG1 3.54Å; V39-V41 HydrophobicContact CG1-CG2 4.25Å; V39-V49 WeakPolarHBondContact O-CA 3.38Å; V39-F50 PolarHBondContact N-O 3.31Å; V39-F50 PolarHBondContact O-N 3.17Å; V39-F52 HydrophobicContact CB-CE2 4.43Å; V39-F52 HydrophobicContact CG2-CD2 4.11Å; V39-F52 HydrophobicContact CG2-CE2 4.2Å; V39-V55 HydrophobicContact CG2-CB 4.26Å; V39-V55 HydrophobicContact CG2-CG1 3.51Å; V39-V55 HydrophobicContact CG2-CG2 3.66Å; V39-I329 HydrophobicContact CG1-CD1 4.15Å; V39-L343 HydrophobicContact CG1-CD1 3.98Å; V39-L343 HydrophobicContact CG1-CD2 4.35Å |
| 40 | T | 89.7 | Confident | 85 | Confident | 32 Ų | 32 | 81 Ų | 81 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.3 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | E33 K48 V49 | E33-T40 PolarHBondContact N-O 2.93Å; E33-T40 PolarHBondContact O-N 3.35Å; T40-K48 WeakPolarHBondContact CA-O 3.47Å; T40-V49 HydrophobicContact CG2-CG2 4.01Å |
| 41 | V | 90.1 | Very high | 85.3 | Confident | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.012 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.1 | 176 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | C31 V39 S47 K48 L336 T339 L340 L343 | C31-V41 WeakPolarHBondContact O-CA 3.44Å; V39-V41 HydrophobicContact CG1-CG2 4.25Å; V41-S47 CarbonylContact O-C 3.57Å; V41-S47 VanDerWaalsContact O-CA 3.28Å; V41-S47 WeakPolarHBondContact O-CA 3.49Å; V41-K48 PolarHBondContact N-O 3.23Å; V41-K48 PolarHBondContact O-N 2.85Å; V41-L336 HydrophobicContact CG1-CD1 3.32Å; V41-T339 HydrophobicContact CG2-CG2 4.43Å; V41-L340 HydrophobicContact CB-CD2 3.97Å; V41-L340 HydrophobicContact CG1-CD2 3.78Å; V41-L340 HydrophobicContact CG1-CG 4.18Å; V41-L340 HydrophobicContact CG2-CD2 4.26Å; V41-L343 HydrophobicContact CG2-CD1 3.39Å |
| 42 | R | 83.8 | Confident | 85.6 | Confident | 139 Ų | 139 | 81 Ų | 81 | 53% | 0.525 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 111.8 | 179.2 | -59.7 | -175 | -165.4 | 179.3 | 3.2 | 109.9 | C31 E33 | C31-R42 PolarHBondContact O-N 2.99Å; E33-R42 IonicContact OE1-NH2 2.77Å; E33-R42 IonicContact OE2-CZ 3.52Å; E33-R42 IonicContact OE2-NE 2.62Å; E33-R42 IonicContact OE2-NH2 3.67Å; E33-R42 PolarHBondContact OE2-NH2 3.45Å |
| 43 | D | 77 | Confident | 85.7 | Confident | 70 Ų | 70 | 82.8 Ų | 82.8 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | trans | -92.7 | 166.4 | 166.2 | 179.5 | 34.9 | 0 | 0 | 0 | 110.5 | S45 M46 L336 | D43-S45 PolarHBondContact O-N 2.92Å; D43-S45 VanDerWaalsContact O-N 3.08Å; D43-S45 PolarHBondContact OD2-OG 3.47Å; D43-M46 VanDerWaalsContact CB-O 3.31Å; D43-M46 WeakPolarHBondContact CB-O 2.9Å; D43-M46 PolarHBondContact N-O 3.35Å; D43-L336 HydrophobicContact CB-CD2 4.16Å; D43-L336 WeakPolarHBondContact OD1-CD2 3.42Å | ||
| 44 | K | 72.4 | Confident | 86 | Confident | 201 Ų | 201 | 81.9 Ų | 81.9 | 87% | 0.874 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -54.6 | -25.5 | 178.5 | -68.8 | -178.1 | -179.5 | 176.6 | 0 | 113.5 | ||
| 45 | S | 71.5 | Confident | 86.2 | Confident | 98 Ų | 98 | 81.1 Ų | 81.1 | 69% | 0.685 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -118.6 | -27.6 | -174.9 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | D43 | D43-S45 PolarHBondContact O-N 2.92Å; D43-S45 VanDerWaalsContact O-N 3.08Å; D43-S45 PolarHBondContact OD2-OG 3.47Å |
| 46 | M | 76.1 | Confident | 86.6 | Confident | 139 Ų | 139 | 78.1 Ų | 78.1 | 69% | 0.685 | 38% | 0.381 | S | S | * | . | trans | -150.5 | 147.1 | -173.6 | -63.9 | -174.4 | 69.7 | 0 | 0 | 112.5 | D43 | D43-M46 VanDerWaalsContact CB-O 3.31Å; D43-M46 WeakPolarHBondContact CB-O 2.9Å; D43-M46 PolarHBondContact N-O 3.35Å | ||
| 47 | S | 83.6 | Confident | 87 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.5 | 169.9 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | V41 | V41-S47 CarbonylContact O-C 3.57Å; V41-S47 VanDerWaalsContact O-CA 3.28Å; V41-S47 WeakPolarHBondContact O-CA 3.49Å |
| 48 | K | 88.1 | Confident | 87.1 | Confident | 105 Ų | 105 | 67.9 Ų | 67.9 | 46% | 0.457 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.1 | 171.8 | -68.8 | -171 | 178.4 | -177.7 | 0 | 109.8 | T40 V41 F50 L340 | T40-K48 WeakPolarHBondContact CA-O 3.47Å; V41-K48 PolarHBondContact N-O 3.23Å; V41-K48 PolarHBondContact O-N 2.85Å; K48-F50 HydrophobicContact CB-CE2 3.84Å; K48-F50 HydrophobicContact CB-CZ 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.3Å; K48-L340 HydrophobicContact CD-CD2 4.1Å |
| 49 | V | 90.3 | Very high | 87 | Confident | 81 Ų | 81 | 71.3 Ų | 71.3 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | K38 V39 T40 | K38-V49 HydrophobicContact CB-CG1 4.36Å; K38-V49 HydrophobicContact CD-CG1 4.31Å; K38-V49 HydrophobicContact CG-CG1 4.47Å; V39-V49 WeakPolarHBondContact O-CA 3.38Å; T40-V49 HydrophobicContact CG2-CG2 4.01Å |
| 50 | F | 91.1 | Very high | 86.9 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144 | 176.4 | -62.5 | -87.8 | 0 | 0 | 0 | 110.3 | K38 V39 K48 F52 L340 L343 D344 H347 | K38-F50 WeakPolarHBondContact CA-O 3.41Å; V39-F50 PolarHBondContact N-O 3.31Å; V39-F50 PolarHBondContact O-N 3.17Å; K48-F50 HydrophobicContact CB-CE2 3.84Å; K48-F50 HydrophobicContact CB-CZ 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.3Å; F50-F52 HydrophobicContact CB-CD2 4.27Å; F50-F52 HydrophobicContact CB-CE2 3.33Å; F50-F52 HydrophobicContact CB-CZ 3.71Å; F50-F52 HydrophobicContact CG-CE2 4.35Å; F50-F52 HydrophobicContact CG-CZ 4.37Å; F50-L340 HydrophobicContact CE2-CD2 4.11Å; F50-L343 HydrophobicContact CD1-CB 4.37Å; F50-L343 HydrophobicContact CD2-CB 3.99Å; F50-L343 HydrophobicContact CD2-CD1 3.88Å; F50-L343 HydrophobicContact CD2-CG 4.49Å; F50-L343 HydrophobicContact CE1-CB 4.38Å; F50-L343 HydrophobicContact CE2-CB 4Å; F50-L343 HydrophobicContact CE2-CD1 4.09Å; F50-L343 HydrophobicContact CG-CB 4.18Å; F50-L343 HydrophobicContact CZ-CB 4.19Å; F50-D344 WeakPolarHBondContact CE1-OD1 3.39Å; F50-D344 VanDerWaalsContact CZ-OD1 3.29Å; F50-D344 WeakPolarHBondContact CZ-OD1 3.21Å; F50-H347 HydrophobicContact CD1-CB 4.2Å |
| 51 | T | 91.6 | Very high | 86.9 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 41% | 0.411 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.2 | 179.7 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | E37 K38 | E37-T51 WeakPolarHBondContact O-CA 3.46Å; K38-T51 HydrophobicContact CD-CG2 4.47Å; K38-T51 HydrophobicContact CG-CG2 3.89Å |
| 52 | F | 93.5 | Very high | 86.9 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 2% | 0.022 | 39% | 0.387 | C | S | . | . | trans | -132 | 170.7 | -178.3 | -59.8 | -77.7 | 0 | 0 | 0 | 110.9 | V12 V14 E37 V39 F50 V55 L343 A346 H347 | V12-F52 HydrophobicContact CB-CD1 4.22Å; V12-F52 HydrophobicContact CG1-CD1 3.6Å; V12-F52 HydrophobicContact CG1-CE1 4.05Å; V14-F52 HydrophobicContact CB-CD2 4.31Å; V14-F52 HydrophobicContact CG2-CB 4.33Å; V14-F52 HydrophobicContact CG2-CD1 3.97Å; V14-F52 HydrophobicContact CG2-CD2 3.32Å; V14-F52 HydrophobicContact CG2-CE1 4.05Å; V14-F52 HydrophobicContact CG2-CE2 3.42Å; V14-F52 VanDerWaalsContact CG2-CE2 3.42Å; V14-F52 HydrophobicContact CG2-CG 3.59Å; V14-F52 HydrophobicContact CG2-CZ 3.79Å; E37-F52 PolarHBondContact O-N 2.86Å; V39-F52 HydrophobicContact CB-CE2 4.43Å; V39-F52 HydrophobicContact CG2-CD2 4.11Å; V39-F52 HydrophobicContact CG2-CE2 4.2Å; F50-F52 HydrophobicContact CB-CD2 4.27Å; F50-F52 HydrophobicContact CB-CE2 3.33Å; F50-F52 HydrophobicContact CB-CZ 3.71Å; F50-F52 HydrophobicContact CG-CE2 4.35Å; F50-F52 HydrophobicContact CG-CZ 4.37Å; F52-V55 HydrophobicContact CB-CG2 4.2Å; F52-V55 HydrophobicContact CD2-CG2 4.27Å; F52-L343 HydrophobicContact CE2-CD2 3.67Å; F52-L343 HydrophobicContact CZ-CB 4.37Å; F52-L343 HydrophobicContact CZ-CD2 3.74Å; F52-A346 HydrophobicContact CE1-CB 3.69Å; F52-A346 HydrophobicContact CZ-CB 4.23Å; F52-H347 HydrophobicContact CE1-CB 4.3Å | ||
| 53 | D | 91.2 | Very high | 87.2 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -71.7 | -35.7 | -179.2 | -53.1 | -47.9 | 0 | 0 | 0 | 111.1 | R11 V12 K350 | R11-D53 WeakPolarHBondContact CA-OD2 3.3Å; V12-D53 PolarHBondContact N-OD2 2.83Å; V12-D53 WeakPolarHBondContact O-CB 3.43Å; V12-D53 PolarHBondContact O-N 2.89Å; D53-K350 VanDerWaalsContact OD1-CE 3.31Å; D53-K350 WeakPolarHBondContact OD1-CE 3.26Å; D53-K350 IonicContact OD1-NZ 2.74Å; D53-K350 PolarHBondContact OD1-NZ 2.96Å |
| 54 | H | 92.1 | Very high | 87.8 | Confident | 80 Ų | 80 | 72.8 Ų | 72.8 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 145.6 | 170.2 | -74 | -63.6 | 0 | 0 | 0 | 112 | A13 V14 F56 | A13-H54 CarbonylContact C-O 3.57Å; A13-H54 WeakPolarHBondContact CA-O 3.41Å; A13-H54 HydrophobicContact CB-CB 3.95Å; V14-H54 PolarHBondContact N-O 3.31Å; H54-F56 HydrophobicContact CB-CE2 4.07Å; H54-F56 HydrophobicContact CB-CZ 4.1Å |
| 55 | V | 93.6 | Very high | 88.7 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 111.7 | 173.4 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | V14 C34 S35 R36 V39 F52 | V14-V55 HydrophobicContact CB-CG2 4.46Å; V14-V55 CarbonylContact O-C 3.53Å; V14-V55 WeakPolarHBondContact O-CA 3.5Å; C34-V55 HydrophobicContact CB-CG1 3.74Å; S35-V55 WeakPolarHBondContact O-CB 3.31Å; S35-V55 VanDerWaalsContact O-CG1 3.28Å; S35-V55 WeakPolarHBondContact O-CG1 3.45Å; R36-V55 WeakPolarHBondContact O-CB 3Å; R36-V55 PolarHBondContact O-N 3.1Å; V39-V55 HydrophobicContact CG2-CB 4.26Å; V39-V55 HydrophobicContact CG2-CG1 3.51Å; V39-V55 HydrophobicContact CG2-CG2 3.66Å; F52-V55 HydrophobicContact CB-CG2 4.2Å; F52-V55 HydrophobicContact CD2-CG2 4.27Å |
| 56 | F | 93.8 | Very high | 89.7 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.2 | 174.3 | -57.5 | -74.5 | 0 | 0 | 0 | 109.1 | A13 V14 R15 C16 H54 V65 M69 | A13-F56 HydrophobicContact CB-CD2 4.28Å; A13-F56 HydrophobicContact CB-CE2 3.78Å; V14-F56 PolarHBondContact O-N 2.87Å; R15-F56 HydrophobicContact CB-CB 4.31Å; R15-F56 HydrophobicContact CG-CB 4.12Å; C16-F56 PolarHBondContact N-O 2.8Å; H54-F56 HydrophobicContact CB-CE2 4.07Å; H54-F56 HydrophobicContact CB-CZ 4.1Å; F56-V65 HydrophobicContact CB-CG2 4.34Å; F56-V65 HydrophobicContact CD1-CG2 3.9Å; F56-V65 HydrophobicContact CD2-CG1 4.39Å; F56-V65 HydrophobicContact CD2-CG2 3.92Å; F56-V65 HydrophobicContact CE1-CG2 4.18Å; F56-V65 HydrophobicContact CE2-CB 4.35Å; F56-V65 HydrophobicContact CE2-CG1 4.08Å; F56-V65 HydrophobicContact CE2-CG2 4.18Å; F56-V65 HydrophobicContact CG-CG2 3.78Å; F56-V65 HydrophobicContact CZ-CB 4.35Å; F56-V65 HydrophobicContact CZ-CG1 4.45Å; F56-V65 HydrophobicContact CZ-CG2 4.32Å; F56-M69 HydrophobicContact CE2-CG 4.01Å; F56-M69 HydrophobicContact CZ-CG 4.19Å |
| 57 | N | 90.4 | Very high | 90.4 | Very high | 60 Ų | 60 | 57.6 Ų | 57.6 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | trans | -77.4 | 177.2 | 176.5 | 67.7 | 21.2 | 0 | 0 | 0 | 111.5 | C16 C34 Y59 S60 | C16-N57 CarbonylContact O-C 3.57Å; C34-N57 HydrophobicContact CB-CB 3.82Å; N57-Y59 PolarHBondContact O-N 3.17Å; N57-Y59 PolarHBondContact OD1-N 3.35Å; N57-S60 PolarHBondContact N-OG 3.2Å; N57-S60 VanDerWaalsContact N-OG 3.14Å; N57-S60 WeakPolarHBondContact O-CB 3.05Å; N57-S60 PolarHBondContact O-N 3.47Å; N57-S60 PolarHBondContact O-OG 3.46Å; N57-S60 PolarHBondContact OD1-N 3.44Å; N57-S60 PolarHBondContact OD1-OG 3.24Å; N57-S60 VanDerWaalsContact OD1-OG 3.05Å | ||
| 58 | Q | 87.9 | Confident | 90.7 | Very high | 64 Ų | 64 | 56 Ų | 56 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -12.7 | -179.8 | 66.1 | -171.7 | 23.6 | 0 | 0 | 115.8 | C16 | C16-Q58 WeakPolarHBondContact O-CA 3.45Š|
| 59 | Y | 87.7 | Confident | 90.7 | Very high | 180 Ų | 180 | 51.2 Ų | 51.2 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -3.3 | 179.7 | -52.4 | -69.5 | 0 | 0 | 0 | 113.2 | N57 | N57-Y59 PolarHBondContact O-N 3.17Å; N57-Y59 PolarHBondContact OD1-N 3.35Å |
| 60 | S | 89.5 | Confident | 90.8 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 21% | 0.21 | 23% | 0.23 | C | C | . | . | trans | -74.8 | 132 | -176.5 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | N57 | N57-S60 PolarHBondContact N-OG 3.2Å; N57-S60 VanDerWaalsContact N-OG 3.14Å; N57-S60 WeakPolarHBondContact O-CB 3.05Å; N57-S60 PolarHBondContact O-N 3.47Å; N57-S60 PolarHBondContact O-OG 3.46Å; N57-S60 PolarHBondContact OD1-N 3.44Å; N57-S60 PolarHBondContact OD1-OG 3.24Å; N57-S60 VanDerWaalsContact OD1-OG 3.05Å | ||
| 61 | K | 89.7 | Confident | 90.7 | Very high | 144 Ų | 144 | 47.5 Ų | 47.5 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | trans | -83.8 | 162.4 | -178.1 | -61 | 178.6 | -178.8 | 178 | 0 | 111.2 | I63 D64 V65 | K61-I63 HydrophobicContact CB-CG2 4.04Å; K61-I63 PolarHBondContact O-N 3.49Å; K61-D64 WeakPolarHBondContact CB-OD2 3.43Å; K61-D64 PolarHBondContact N-OD2 2.94Å; K61-D64 PolarHBondContact O-N 2.95Å; K61-D64 VanDerWaalsContact O-N 3.13Å; K61-V65 PolarHBondContact O-N 3.1Å | ||
| 62 | Q | 89.7 | Confident | 90.6 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.1 | -41.4 | 175.2 | -71.9 | -78 | 61.9 | 0 | 0 | 112.7 | D64 V65 Y66 F97 P115 A117 | Q62-D64 VanDerWaalsContact C-N 3.32Å; Q62-D64 PolarHBondContact O-N 3.29Å; Q62-V65 PolarHBondContact O-N 2.84Å; Q62-Y66 PolarHBondContact O-N 2.89Å; Q62-F97 HydrophobicContact CG-CE1 3.94Å; Q62-F97 HydrophobicContact CG-CZ 4.15Å; Q62-F97 PolarHBondContact NE2-O 2.81Å; Q62-P115 WeakPolarHBondContact CG-O 3.45Å; Q62-A117 WeakPolarHBondContact CB-O 3.39Å; Q62-A117 PolarHBondContact NE2-O 3.14Å |
| 63 | I | 89.7 | Confident | 90.4 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -32.8 | -179.7 | -171 | 60.4 | 0 | 0 | 0 | 112.7 | K61 Y66 K67 | K61-I63 HydrophobicContact CB-CG2 4.04Å; K61-I63 PolarHBondContact O-N 3.49Å; I63-Y66 HydrophobicContact CD1-CD1 4.11Å; I63-Y66 PolarHBondContact O-N 3.37Å; I63-K67 HydrophobicContact CD1-CD 4.43Å; I63-K67 HydrophobicContact CD1-CG 4.15Å; I63-K67 HydrophobicContact CG1-CD 4.13Å; I63-K67 HydrophobicContact CG1-CG 4.24Å; I63-K67 WeakPolarHBondContact O-CB 3.32Å; I63-K67 WeakPolarHBondContact O-CG 3.3Å; I63-K67 PolarHBondContact O-N 2.74Å |
| 64 | D | 90.9 | Very high | 90.4 | Very high | 67 Ų | 67 | 43.9 Ų | 43.9 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68 | -40.7 | 179.7 | -55.4 | -38.4 | 0 | 0 | 0 | 110.7 | K61 Q62 S68 | K61-D64 WeakPolarHBondContact CB-OD2 3.43Å; K61-D64 PolarHBondContact N-OD2 2.94Å; K61-D64 PolarHBondContact O-N 2.95Å; K61-D64 VanDerWaalsContact O-N 3.13Å; Q62-D64 VanDerWaalsContact C-N 3.32Å; Q62-D64 PolarHBondContact O-N 3.29Å; D64-S68 WeakPolarHBondContact O-CB 3.48Å; D64-S68 PolarHBondContact O-N 3.35Å; D64-S68 PolarHBondContact O-OG 3.46Å |
| 65 | V | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 173.8 | -177 | 0 | 0 | 0 | 0 | 110.2 | F56 K61 Q62 M69 T98 I326 | F56-V65 HydrophobicContact CB-CG2 4.34Å; F56-V65 HydrophobicContact CD1-CG2 3.9Å; F56-V65 HydrophobicContact CD2-CG1 4.39Å; F56-V65 HydrophobicContact CD2-CG2 3.92Å; F56-V65 HydrophobicContact CE1-CG2 4.18Å; F56-V65 HydrophobicContact CE2-CB 4.35Å; F56-V65 HydrophobicContact CE2-CG1 4.08Å; F56-V65 HydrophobicContact CE2-CG2 4.18Å; F56-V65 HydrophobicContact CG-CG2 3.78Å; F56-V65 HydrophobicContact CZ-CB 4.35Å; F56-V65 HydrophobicContact CZ-CG1 4.45Å; F56-V65 HydrophobicContact CZ-CG2 4.32Å; K61-V65 PolarHBondContact O-N 3.1Å; Q62-V65 PolarHBondContact O-N 2.84Å; V65-M69 WeakPolarHBondContact O-CB 3.25Å; V65-M69 PolarHBondContact O-N 3.27Å; V65-T98 HydrophobicContact CG1-CG2 4.46Å; V65-I326 HydrophobicContact CG1-CD1 4.16Å |
| 66 | Y | 91.5 | Very high | 90 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -51.5 | 179 | 178.3 | -95.3 | 0 | 0 | 0 | 112.4 | Q62 I63 S68 V70 A71 W111 R122 V123 H126 | Q62-Y66 PolarHBondContact O-N 2.89Å; I63-Y66 HydrophobicContact CD1-CD1 4.11Å; I63-Y66 PolarHBondContact O-N 3.37Å; Y66-S68 VanDerWaalsContact C-N 3.31Å; Y66-S68 PolarHBondContact O-N 3.32Å; Y66-V70 HydrophobicContact CD2-CB 3.71Å; Y66-V70 HydrophobicContact CD2-CG1 3.94Å; Y66-V70 HydrophobicContact CD2-CG2 4.14Å; Y66-V70 HydrophobicContact CE2-CB 3.85Å; Y66-V70 HydrophobicContact CE2-CG1 3.64Å; Y66-V70 HydrophobicContact CG-CB 4.38Å; Y66-V70 WeakPolarHBondContact O-CA 3.25Å; Y66-V70 WeakPolarHBondContact O-CB 3.33Å; Y66-V70 PolarHBondContact O-N 2.88Å; Y66-A71 HydrophobicContact CE1-CB 4.19Å; Y66-A71 PolarHBondContact O-N 3.43Å; Y66-W111 HydrophobicContact CD1-CZ3 4.35Å; Y66-W111 HydrophobicContact CE1-CH2 4.22Å; Y66-W111 AromaticContact CE1-CZ3 3.78Å; Y66-W111 HydrophobicContact CE1-CZ3 3.78Å; Y66-R122 HydrophobicContact CD2-CB 3.68Å; Y66-R122 HydrophobicContact CE1-CB 4.48Å; Y66-R122 HydrophobicContact CE2-CB 3.6Å; Y66-R122 HydrophobicContact CG-CB 4.17Å; Y66-R122 PolarHBondContact OH-O 2.7Å; Y66-V123 HydrophobicContact CE2-CG2 3.87Å; Y66-H126 AromaticContact CE1-ND1 3.84Å; Y66-H126 AromaticContact CZ-ND1 3.73Å; Y66-H126 WeakPolarHBondContact OH-CB 3.41Å; Y66-H126 VanDerWaalsContact OH-CG 3.29Å; Y66-H126 PolarHBondContact OH-ND1 2.96Å |
| 67 | K | 90.5 | Very high | 89.8 | Confident | 117 Ų | 117 | 46.7 Ų | 46.7 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -38.8 | -178 | -76.4 | -175.8 | 175.8 | -174.3 | 0 | 112.5 | I63 | I63-K67 HydrophobicContact CD1-CD 4.43Å; I63-K67 HydrophobicContact CD1-CG 4.15Å; I63-K67 HydrophobicContact CG1-CD 4.13Å; I63-K67 HydrophobicContact CG1-CG 4.24Å; I63-K67 WeakPolarHBondContact O-CB 3.32Å; I63-K67 WeakPolarHBondContact O-CG 3.3Å; I63-K67 PolarHBondContact O-N 2.74Å |
| 68 | S | 89.3 | Confident | 89.6 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -80.8 | -41.7 | -175.7 | -47.9 | 0 | 0 | 0 | 0 | 112.7 | D64 Y66 | D64-S68 WeakPolarHBondContact O-CB 3.48Å; D64-S68 PolarHBondContact O-N 3.35Å; D64-S68 PolarHBondContact O-OG 3.46Å; Y66-S68 VanDerWaalsContact C-N 3.31Å; Y66-S68 PolarHBondContact O-N 3.32Å |
| 69 | M | 89.6 | Confident | 89.5 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -98.7 | -33 | -171.8 | -66 | -60.9 | -70.9 | 0 | 0 | 114 | R11 A13 F56 V65 | R11-M69 HydrophobicContact CB-CE 4.45Å; A13-M69 HydrophobicContact CB-CE 3.59Å; A13-M69 HydrophobicContact CB-CG 3.96Å; A13-M69 HydrophobicContact CB-SD 3.52Å; A13-M69 VanDerWaalsContact CB-SD 3.52Å; F56-M69 HydrophobicContact CE2-CG 4.01Å; F56-M69 HydrophobicContact CZ-CG 4.19Å; V65-M69 WeakPolarHBondContact O-CB 3.25Å; V65-M69 PolarHBondContact O-N 3.27Å |
| 70 | V | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -40.9 | -163.9 | -169.8 | 0 | 0 | 0 | 0 | 112.6 | Y66 P72 M73 I74 I85 I119 V123 | Y66-V70 HydrophobicContact CD2-CB 3.71Å; Y66-V70 HydrophobicContact CD2-CG1 3.94Å; Y66-V70 HydrophobicContact CD2-CG2 4.14Å; Y66-V70 HydrophobicContact CE2-CB 3.85Å; Y66-V70 HydrophobicContact CE2-CG1 3.64Å; Y66-V70 HydrophobicContact CG-CB 4.38Å; Y66-V70 WeakPolarHBondContact O-CA 3.25Å; Y66-V70 WeakPolarHBondContact O-CB 3.33Å; Y66-V70 PolarHBondContact O-N 2.88Å; V70-P72 VanDerWaalsContact C-CD 3.46Å; V70-P72 VanDerWaalsContact C-N 3.33Å; V70-M73 WeakPolarHBondContact O-CB 3.48Å; V70-M73 PolarHBondContact O-N 2.87Å; V70-I74 PolarHBondContact O-N 2.96Å; V70-I85 HydrophobicContact CB-CD1 4.19Å; V70-I85 HydrophobicContact CG1-CD1 3.69Å; V70-I85 HydrophobicContact CG2-CD1 3.87Å; V70-I119 HydrophobicContact CG1-CG2 4.03Å; V70-I119 HydrophobicContact CG2-CD1 4.01Å; V70-I119 HydrophobicContact CG2-CG1 4.12Å; V70-I119 HydrophobicContact CG2-CG2 3.89Å; V70-V123 HydrophobicContact CG1-CG2 3.39Å |
| 71 | A | 90 | Very high | 89.4 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.8 | -42.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y66 M73 I74 | Y66-A71 HydrophobicContact CE1-CB 4.19Å; Y66-A71 PolarHBondContact O-N 3.43Å; A71-M73 PolarHBondContact O-N 3.39Å; A71-I74 WeakPolarHBondContact O-CB 3.38Å; A71-I74 PolarHBondContact O-N 2.91Å; A71-I74 VanDerWaalsContact O-N 3.14Å |
| 72 | P | 89.5 | Confident | 89.4 | Confident | 43 Ų | 43 | 32.2 Ų | 32.2 | 28% | 0.279 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.9 | -27.7 | 176 | -22.3 | 34.4 | 0 | 0 | 0 | 113.7 | V70 I74 E76 | V70-P72 VanDerWaalsContact C-CD 3.46Å; V70-P72 VanDerWaalsContact C-N 3.33Å; P72-I74 VanDerWaalsContact C-N 3.31Å; P72-I74 PolarHBondContact O-N 3.4Å; P72-E76 WeakPolarHBondContact O-CG 3.37Å; P72-E76 PolarHBondContact O-N 2.77Å |
| 73 | M | 89.2 | Confident | 89.6 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.1 | -26.6 | 178.3 | -62 | -167.5 | 173.6 | 0 | 0 | 112.5 | V70 A71 E75 E76 I77 C83 I85 S324 | V70-M73 WeakPolarHBondContact O-CB 3.48Å; V70-M73 PolarHBondContact O-N 2.87Å; A71-M73 PolarHBondContact O-N 3.39Å; M73-E75 VanDerWaalsContact C-N 3.3Å; M73-E75 PolarHBondContact O-N 3.11Å; M73-E76 PolarHBondContact O-N 3.17Å; M73-E76 VanDerWaalsContact O-N 3.17Å; M73-I77 HydrophobicContact CB-CD1 4.44Å; M73-I77 WeakPolarHBondContact O-CD1 3.4Å; M73-I77 WeakPolarHBondContact O-CG1 3.36Å; M73-I77 PolarHBondContact O-N 2.88Å; M73-C83 HydrophobicContact CB-CB 4.46Å; M73-C83 HydrophobicContact SD-CB 4.1Å; M73-I85 HydrophobicContact CE-CD1 4.39Å; M73-I85 HydrophobicContact CE-CG1 3.95Å; M73-I85 HydrophobicContact SD-CD1 3.5Å; M73-I85 WeakPolarHBondContact SD-CD1 3.49Å; M73-I85 HydrophobicContact SD-CG1 3.41Å; M73-I85 WeakPolarHBondContact SD-CG1 3.17Å; M73-S324 WeakPolarHBondContact CE-OG 3.42Å |
| 74 | I | 90.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 178 | -59.3 | -57.4 | 0 | 0 | 0 | 110.1 | V70 A71 P72 E76 I77 I78 V123 L127 | V70-I74 PolarHBondContact O-N 2.96Å; A71-I74 WeakPolarHBondContact O-CB 3.38Å; A71-I74 PolarHBondContact O-N 2.91Å; A71-I74 VanDerWaalsContact O-N 3.14Å; P72-I74 VanDerWaalsContact C-N 3.31Å; P72-I74 PolarHBondContact O-N 3.4Å; I74-E76 VanDerWaalsContact C-N 3.33Å; I74-E76 PolarHBondContact O-N 3.12Å; I74-I77 HydrophobicContact CD1-CD1 4.34Å; I74-I77 PolarHBondContact O-N 3.21Å; I74-I78 HydrophobicContact CG2-CD1 4.07Å; I74-I78 VanDerWaalsContact O-CG1 3.3Å; I74-I78 WeakPolarHBondContact O-CG1 3.48Å; I74-I78 PolarHBondContact O-N 2.92Å; I74-I78 VanDerWaalsContact O-N 3.1Å; I74-V123 HydrophobicContact CD1-CB 4.45Å; I74-V123 HydrophobicContact CD1-CG1 3.96Å; I74-V123 HydrophobicContact CD1-CG2 4.38Å; I74-L127 HydrophobicContact CG2-CD1 4.1Å |
| 75 | E | 88.7 | Confident | 89.9 | Confident | 137 Ų | 137 | 27.6 Ų | 27.6 | 64% | 0.64 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -60.8 | -43.4 | 174.4 | -62.5 | 178.4 | -176.6 | 0 | 0 | 111.2 | M73 I77 I78 M79 | M73-E75 VanDerWaalsContact C-N 3.3Å; M73-E75 PolarHBondContact O-N 3.11Å; E75-I77 PolarHBondContact O-N 3.47Å; E75-I78 PolarHBondContact O-N 3.22Å; E75-M79 WeakPolarHBondContact O-CG 3.18Å; E75-M79 PolarHBondContact O-N 3.41Å |
| 76 | E | 88.6 | Confident | 89.9 | Confident | 28 Ų | 28 | 27.9 Ų | 27.9 | 13% | 0.131 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 178.5 | -64.7 | 179 | 154.5 | 0 | 0 | 112.7 | P72 M73 I74 I78 M79 G80 Y81 K322 | P72-E76 WeakPolarHBondContact O-CG 3.37Å; P72-E76 PolarHBondContact O-N 2.77Å; M73-E76 PolarHBondContact O-N 3.17Å; M73-E76 VanDerWaalsContact O-N 3.17Å; I74-E76 VanDerWaalsContact C-N 3.33Å; I74-E76 PolarHBondContact O-N 3.12Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-M79 WeakPolarHBondContact O-CB 3.47Å; E76-M79 PolarHBondContact O-N 2.96Å; E76-G80 PolarHBondContact O-N 2.83Å; E76-Y81 HydrophobicContact CB-CD2 4.07Å; E76-Y81 WeakPolarHBondContact O-CB 3.4Å; E76-Y81 WeakPolarHBondContact O-CD2 3.43Å; E76-Y81 PolarHBondContact O-N 2.9Å; E76-K322 HydrophobicContact CG-CD 4.35Å; E76-K322 WeakPolarHBondContact OE1-CD 3.46Å; E76-K322 IonicContact OE1-NZ 2.67Å; E76-K322 PolarHBondContact OE1-NZ 2.85Å; E76-K322 WeakPolarHBondContact OE2-CD 3.26Å; E76-K322 IonicContact OE2-NZ 3.73Å |
| 77 | I | 89.5 | Confident | 89.9 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 176.8 | -65.9 | 151.8 | 0 | 0 | 0 | 110.4 | M73 I74 E75 M79 G80 C83 V235 L254 | M73-I77 HydrophobicContact CB-CD1 4.44Å; M73-I77 WeakPolarHBondContact O-CD1 3.4Å; M73-I77 WeakPolarHBondContact O-CG1 3.36Å; M73-I77 PolarHBondContact O-N 2.88Å; I74-I77 HydrophobicContact CD1-CD1 4.34Å; I74-I77 PolarHBondContact O-N 3.21Å; E75-I77 PolarHBondContact O-N 3.47Å; I77-M79 VanDerWaalsContact C-N 3.28Å; I77-M79 PolarHBondContact O-N 3.43Å; I77-G80 WeakPolarHBondContact O-CA 3.22Å; I77-G80 PolarHBondContact O-N 3.34Å; I77-C83 HydrophobicContact CD1-CB 4.33Å; I77-C83 HydrophobicContact CG1-CB 4.01Å; I77-V235 HydrophobicContact CG2-CB 4.48Å; I77-V235 HydrophobicContact CG2-CG2 3.99Å; I77-L254 HydrophobicContact CD1-CB 3.56Å; I77-L254 HydrophobicContact CD1-CD1 4Å; I77-L254 HydrophobicContact CD1-CD2 3.59Å; I77-L254 HydrophobicContact CD1-CG 3.89Å; I77-L254 HydrophobicContact CG1-CB 4.17Å |
| 78 | I | 87.7 | Confident | 90 | Very high | 18 Ų | 18 | 22.8 Ų | 22.8 | 9% | 0.092 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.3 | -33 | 176.3 | -67.2 | 168.9 | 0 | 0 | 0 | 111 | I74 E75 E76 G80 L127 T130 L131 I237 R250 | I74-I78 HydrophobicContact CG2-CD1 4.07Å; I74-I78 VanDerWaalsContact O-CG1 3.3Å; I74-I78 WeakPolarHBondContact O-CG1 3.48Å; I74-I78 PolarHBondContact O-N 2.92Å; I74-I78 VanDerWaalsContact O-N 3.1Å; E75-I78 PolarHBondContact O-N 3.22Å; E76-I78 VanDerWaalsContact C-N 3.34Å; I78-G80 PolarHBondContact O-N 2.85Å; I78-L127 HydrophobicContact CD1-CD1 4.41Å; I78-L127 HydrophobicContact CG1-CD1 4.25Å; I78-T130 HydrophobicContact CD1-CG2 3.36Å; I78-L131 HydrophobicContact CD1-CD2 4.41Å; I78-L131 HydrophobicContact CG1-CD2 4.15Å; I78-I237 HydrophobicContact CB-CD1 4.28Å; I78-I237 HydrophobicContact CG1-CD1 4.44Å; I78-I237 HydrophobicContact CG2-CD1 3.87Å; I78-R250 WeakPolarHBondContact O-CD 3.46Å; I78-R250 PolarHBondContact O-NH1 3.36Å |
| 79 | M | 85.9 | Confident | 90.1 | Very high | 99 Ų | 99 | 20.8 Ų | 20.8 | 49% | 0.488 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -68.5 | -13.2 | 169.6 | -69.5 | -177.8 | 74.8 | 0 | 0 | 113.5 | E75 E76 I77 Y81 | E75-M79 WeakPolarHBondContact O-CG 3.18Å; E75-M79 PolarHBondContact O-N 3.41Å; E76-M79 WeakPolarHBondContact O-CB 3.47Å; E76-M79 PolarHBondContact O-N 2.96Å; I77-M79 VanDerWaalsContact C-N 3.28Å; I77-M79 PolarHBondContact O-N 3.43Å; M79-Y81 HydrophobicContact CB-CD2 4.03Å; M79-Y81 HydrophobicContact CB-CE2 4.19Å; M79-Y81 HydrophobicContact CE-CE2 4.41Å |
| 80 | G | 85.7 | Confident | 90 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 16 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E76 I77 I78 N359 | E76-G80 PolarHBondContact O-N 2.83Å; I77-G80 WeakPolarHBondContact O-CA 3.22Å; I77-G80 PolarHBondContact O-N 3.34Å; I78-G80 PolarHBondContact O-N 2.85Å; G80-N359 WeakPolarHBondContact O-CB 3.33Å; G80-N359 PolarHBondContact O-N 2.89Å; G80-N359 PolarHBondContact O-ND2 2.91Å |
| 81 | Y | 88.6 | Confident | 89.7 | Confident | 42 Ų | 42 | 23.1 Ų | 23.1 | 17% | 0.165 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -75.3 | 149.6 | 170.6 | -70.9 | -80.8 | 0 | 0 | 0 | 111.1 | E76 M79 K322 P356 I358 | E76-Y81 HydrophobicContact CB-CD2 4.07Å; E76-Y81 WeakPolarHBondContact O-CB 3.4Å; E76-Y81 WeakPolarHBondContact O-CD2 3.43Å; E76-Y81 PolarHBondContact O-N 2.9Å; M79-Y81 HydrophobicContact CB-CD2 4.03Å; M79-Y81 HydrophobicContact CB-CE2 4.19Å; M79-Y81 HydrophobicContact CE-CE2 4.41Å; Y81-K322 HydrophobicContact CD1-CD 4.43Å; Y81-K322 HydrophobicContact CG-CD 4.41Å; Y81-P356 HydrophobicContact CD1-CB 4.19Å; Y81-P356 HydrophobicContact CE1-CB 4.29Å; Y81-I358 HydrophobicContact CD1-CG1 3.98Å; Y81-I358 HydrophobicContact CD2-CG1 4.23Å; Y81-I358 HydrophobicContact CE1-CD1 4.37Å; Y81-I358 HydrophobicContact CE1-CG1 3.42Å; Y81-I358 VanDerWaalsContact CE1-CG1 3.42Å; Y81-I358 HydrophobicContact CE2-CD1 4.04Å; Y81-I358 HydrophobicContact CE2-CG1 3.7Å; Y81-I358 HydrophobicContact CG-CG1 4.36Å; Y81-I358 WeakPolarHBondContact OH-CG1 3.28Å |
| 82 | N | 90 | Very high | 89.3 | Confident | 15 Ų | 15 | 24 Ų | 24 | 8% | 0.08 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 132.2 | 161.6 | -62.7 | -32.6 | 0 | 0 | 0 | 108.4 | K253 T321 K322 N359 | N82-K253 CarbonylContact C-O 3.51Å; N82-K253 WeakPolarHBondContact CA-O 3.2Å; N82-K253 WeakPolarHBondContact OD1-CB 2.83Å; N82-T321 HydrophobicContact CB-CG2 4.13Å; N82-T321 WeakPolarHBondContact CB-OG1 3.42Å; N82-T321 WeakPolarHBondContact O-CA 3.32Å; N82-T321 WeakPolarHBondContact O-CG2 3.16Å; N82-K322 PolarHBondContact O-N 2.91Å; N82-N359 PolarHBondContact ND2-OD1 2.94Å; N82-N359 PolarHBondContact OD1-ND2 3.33Å |
| 83 | C | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146 | 178.2 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | M73 I77 K253 L254 H255 K322 | M73-C83 HydrophobicContact CB-CB 4.46Å; M73-C83 HydrophobicContact SD-CB 4.1Å; I77-C83 HydrophobicContact CD1-CB 4.33Å; I77-C83 HydrophobicContact CG1-CB 4.01Å; C83-K253 PolarHBondContact N-O 3Å; C83-L254 HydrophobicContact CB-CD1 3.8Å; C83-L254 CarbonylContact O-C 3.39Å; C83-L254 WeakPolarHBondContact O-CA 3.41Å; C83-H255 PolarHBondContact O-N 3.32Å; C83-K322 CarbonylContact C-O 3.49Å; C83-K322 VanDerWaalsContact CA-O 3.22Å; C83-K322 WeakPolarHBondContact CA-O 3.43Å |
| 84 | T | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135 | 173.3 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | F86 H255 V257 S316 T321 K322 T323 S324 | T84-F86 HydrophobicContact CG2-CD1 4.42Å; T84-F86 HydrophobicContact CG2-CD2 4.06Å; T84-F86 HydrophobicContact CG2-CE1 3.88Å; T84-F86 HydrophobicContact CG2-CE2 3.54Å; T84-F86 HydrophobicContact CG2-CG 4.5Å; T84-F86 HydrophobicContact CG2-CZ 3.43Å; T84-F86 VanDerWaalsContact CG2-CZ 3.43Å; T84-H255 CarbonylContact C-O 3.48Å; T84-H255 VanDerWaalsContact CA-O 3.31Å; T84-H255 WeakPolarHBondContact CA-O 3.38Å; T84-H255 HydrophobicContact CG2-CB 4Å; T84-V257 HydrophobicContact CG2-CG2 4.14Å; T84-S316 PolarHBondContact OG1-OG 3.36Å; T84-T321 WeakPolarHBondContact OG1-CG2 3.38Å; T84-K322 PolarHBondContact N-O 3.26Å; T84-T323 CarbonylContact O-C 3.57Å; T84-T323 WeakPolarHBondContact O-CA 3.37Å; T84-S324 PolarHBondContact O-N 2.94Å |
| 85 | I | 94.4 | Very high | 89 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.4 | 175.1 | -52.9 | 178.6 | 0 | 0 | 0 | 108.9 | V70 M73 L254 H255 L256 V257 S324 I326 | V70-I85 HydrophobicContact CB-CD1 4.19Å; V70-I85 HydrophobicContact CG1-CD1 3.69Å; V70-I85 HydrophobicContact CG2-CD1 3.87Å; M73-I85 HydrophobicContact CE-CD1 4.39Å; M73-I85 HydrophobicContact CE-CG1 3.95Å; M73-I85 HydrophobicContact SD-CD1 3.5Å; M73-I85 WeakPolarHBondContact SD-CD1 3.49Å; M73-I85 HydrophobicContact SD-CG1 3.41Å; M73-I85 WeakPolarHBondContact SD-CG1 3.17Å; I85-L254 HydrophobicContact CD1-CD1 4.28Å; I85-L254 HydrophobicContact CG1-CD1 4.24Å; I85-H255 PolarHBondContact N-O 2.77Å; I85-L256 HydrophobicContact CB-CD2 3.97Å; I85-L256 HydrophobicContact CD1-CD2 3.78Å; I85-L256 HydrophobicContact CG1-CD2 4.12Å; I85-V257 PolarHBondContact O-N 2.84Å; I85-S324 CarbonylContact C-O 3.6Å; I85-S324 WeakPolarHBondContact CA-O 3.28Å; I85-I326 HydrophobicContact CG2-CD1 3.9Å; I85-I326 HydrophobicContact CG2-CG1 4.31Å |
| 86 | F | 90.6 | Very high | 89 | Confident | 7 Ų | 7 | 19.4 Ų | 19.4 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.6 | 176.6 | -65 | -72.4 | 0 | 0 | 0 | 111.3 | T84 V257 L259 L313 L317 T323 S324 I325 I326 | T84-F86 HydrophobicContact CG2-CD1 4.42Å; T84-F86 HydrophobicContact CG2-CD2 4.06Å; T84-F86 HydrophobicContact CG2-CE1 3.88Å; T84-F86 HydrophobicContact CG2-CE2 3.54Å; T84-F86 HydrophobicContact CG2-CG 4.5Å; T84-F86 HydrophobicContact CG2-CZ 3.43Å; T84-F86 VanDerWaalsContact CG2-CZ 3.43Å; F86-V257 HydrophobicContact CD1-CB 3.7Å; F86-V257 HydrophobicContact CD1-CG1 3.87Å; F86-V257 HydrophobicContact CD1-CG2 4.1Å; F86-V257 HydrophobicContact CE1-CB 3.99Å; F86-V257 HydrophobicContact CE1-CG1 4.06Å; F86-V257 HydrophobicContact CE1-CG2 3.9Å; F86-L259 HydrophobicContact CD1-CD1 4.36Å; F86-L313 HydrophobicContact CD1-CD1 4.46Å; F86-L313 HydrophobicContact CE1-CD1 3.42Å; F86-L313 VanDerWaalsContact CE1-CD1 3.42Å; F86-L313 HydrophobicContact CE1-CD2 3.59Å; F86-L313 HydrophobicContact CE1-CG 4.03Å; F86-L313 HydrophobicContact CZ-CB 4.38Å; F86-L313 HydrophobicContact CZ-CD1 3.92Å; F86-L313 HydrophobicContact CZ-CD2 3.82Å; F86-L313 HydrophobicContact CZ-CG 4.24Å; F86-L317 HydrophobicContact CE2-CD2 4.04Å; F86-L317 HydrophobicContact CE2-CG 4.42Å; F86-L317 HydrophobicContact CZ-CD2 4.46Å; F86-L317 HydrophobicContact CZ-CG 4.39Å; F86-T323 HydrophobicContact CD2-CG2 3.64Å; F86-T323 HydrophobicContact CE2-CG2 3.38Å; F86-S324 PolarHBondContact N-O 3.33Å; F86-I325 HydrophobicContact CB-CB 4.4Å; F86-I325 HydrophobicContact CB-CG1 4.04Å; F86-I325 HydrophobicContact CB-CG2 4.34Å; F86-I325 HydrophobicContact CD2-CG1 3.77Å; F86-I325 HydrophobicContact CG-CG1 4.29Å; F86-I326 PolarHBondContact O-N 3.35Å |
| 87 | A | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.1 | 158 | 0 | 0 | 0 | 0 | 0 | 109.5 | K95 M99 V257 L259 I326 | A87-K95 HydrophobicContact CB-CB 4.06Å; A87-K95 HydrophobicContact CB-CG 4.4Å; A87-M99 HydrophobicContact CB-CG 3.56Å; A87-M99 HydrophobicContact CB-SD 3.88Å; A87-V257 PolarHBondContact N-O 3.26Å; A87-L259 WeakPolarHBondContact O-CB 3.41Å; A87-L259 PolarHBondContact O-N 2.86Å; A87-I326 WeakPolarHBondContact CA-O 3.38Å |
| 88 | Y | 91.9 | Very high | 89 | Confident | 13 Ų | 13 | 21.2 Ų | 21.2 | 5% | 0.051 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.9 | -175.5 | 179.4 | -101.9 | 0 | 0 | 0 | 112 | L259 S262 L285 I326 A327 T328 T342 Y345 | Y88-L259 HydrophobicContact CD2-CD1 3.78Å; Y88-L259 HydrophobicContact CG-CD1 4.43Å; Y88-S262 WeakPolarHBondContact OH-CB 3.5Å; Y88-L285 HydrophobicContact CE2-CD2 4.16Å; Y88-I326 PolarHBondContact N-O 3.39Å; Y88-A327 CarbonylContact O-C 3.2Å; Y88-A327 VanDerWaalsContact O-CA 3.3Å; Y88-A327 WeakPolarHBondContact O-CA 3.42Å; Y88-T328 PolarHBondContact O-N 3.38Å; Y88-T328 PolarHBondContact O-OG1 2.95Å; Y88-T342 HydrophobicContact CD1-CG2 3.96Å; Y88-T342 HydrophobicContact CE1-CG2 4.12Å; Y88-Y345 AromaticContact CD1-CD1 3.5Å; Y88-Y345 HydrophobicContact CD1-CD1 3.5Å; Y88-Y345 VanDerWaalsContact CD1-CD1 3.5Å; Y88-Y345 AromaticContact CD1-CE1 3.79Å; Y88-Y345 HydrophobicContact CD1-CE1 3.79Å; Y88-Y345 HydrophobicContact CD1-CG 4.19Å; Y88-Y345 HydrophobicContact CD2-CE1 4.27Å; Y88-Y345 AromaticContact CE1-CD1 3.29Å; Y88-Y345 HydrophobicContact CE1-CD1 3.29Å; Y88-Y345 HydrophobicContact CE1-CD2 4.17Å; Y88-Y345 AromaticContact CE1-CE1 3.82Å; Y88-Y345 HydrophobicContact CE1-CE1 3.82Å; Y88-Y345 AromaticContact CE1-CG 3.49Å; Y88-Y345 HydrophobicContact CE1-CG 3.49Å; Y88-Y345 VanDerWaalsContact CE1-CG 3.49Å; Y88-Y345 HydrophobicContact CE2-CE1 4.28Å; Y88-Y345 HydrophobicContact CG-CD1 4.2Å; Y88-Y345 HydrophobicContact CG-CE1 4.01Å; Y88-Y345 AromaticContact CZ-CD1 3.85Å; Y88-Y345 AromaticContact CZ-CD2 4Å; Y88-Y345 AromaticContact CZ-CG 3.8Å |
| 89 | G | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 146.3 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K95 S262 | G89-K95 WeakPolarHBondContact O-CD 3.48Å; G89-K95 WeakPolarHBondContact O-CE 3.32Å; G89-K95 PolarHBondContact O-NZ 2.79Å; G89-S262 PolarHBondContact O-N 2.8Å; G89-S262 VanDerWaalsContact O-N 3.16Å; G89-S262 PolarHBondContact O-OG 2.92Å |
| 90 | Q | 87.7 | Confident | 89.1 | Confident | 20 Ų | 20 | 17.1 Ų | 17.1 | 9% | 0.093 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -65.4 | 162.6 | -177.7 | 67.8 | 178.3 | 101.8 | 0 | 0 | 113.4 | S93 K95 S262 E263 S335 E338 | Q90-S93 WeakPolarHBondContact O-CB 3.35Å; Q90-S93 PolarHBondContact O-N 2.84Å; Q90-S93 PolarHBondContact O-OG 3.03Å; Q90-K95 VanDerWaalsContact C-NZ 3.29Å; Q90-K95 PolarHBondContact O-NZ 3.17Å; Q90-S262 PolarHBondContact N-OG 2.99Å; Q90-S262 VanDerWaalsContact N-OG 3.13Å; Q90-E263 WeakPolarHBondContact CA-OE2 3.47Å; Q90-S335 PolarHBondContact NE2-OG 3.41Å; Q90-S335 VanDerWaalsContact OE1-CB 3.29Å; Q90-E338 HydrophobicContact CB-CB 4.19Å |
| 91 | T | 84.5 | Confident | 89 | Confident | 35 Ų | 35 | 18 Ų | 18 | 22% | 0.215 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 137.7 | 170.7 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | S93 S225 G261 E263 | T91-S93 PolarHBondContact O-N 2.74Å; T91-S225 WeakPolarHBondContact OG1-CB 3.28Å; T91-G261 WeakPolarHBondContact OG1-CA 3.41Å; T91-E263 WeakPolarHBondContact CB-OE1 3.32Å; T91-E263 PolarHBondContact N-OE2 3.2Å; T91-E263 PolarHBondContact OG1-OE1 2.84Å; T91-E263 PolarHBondContact OG1-OE2 2.87Å |
| 92 | G | 82.4 | Confident | 88.2 | Confident | 38 Ų | 38 | 21.6 Ų | 21.6 | 39% | 0.392 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 6.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R17 G94 | R17-G92 WeakPolarHBondContact CD-O 3.33Å; R17-G92 PolarHBondContact NE-O 2.82Å; G92-G94 VanDerWaalsContact C-N 3.3Å |
| 93 | S | 86.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -78 | -12.5 | 172.5 | 59.6 | 0 | 0 | 0 | 0 | 114.1 | Q90 T91 T328 | Q90-S93 WeakPolarHBondContact O-CB 3.35Å; Q90-S93 PolarHBondContact O-N 2.84Å; Q90-S93 PolarHBondContact O-OG 3.03Å; T91-S93 PolarHBondContact O-N 2.74Å; S93-T328 VanDerWaalsContact CB-O 3.28Å; S93-T328 WeakPolarHBondContact CB-O 3.45Å; S93-T328 PolarHBondContact OG-O 3Å; S93-T328 PolarHBondContact OG-OG1 2.73Å |
| 94 | G | 87.4 | Confident | 85.1 | Confident | 19 Ų | 19 | 26.5 Ų | 26.5 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 109.8 | 15.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G92 F97 T98 | G92-G94 VanDerWaalsContact C-N 3.3Å; G94-F97 PolarHBondContact O-N 3.45Å; G94-T98 WeakPolarHBondContact O-CB 3.4Å; G94-T98 PolarHBondContact O-N 3.47Å; G94-T98 PolarHBondContact O-OG1 3.38Å |
| 95 | K | 89 | Confident | 83.4 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 6% | 0.057 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52.8 | -62 | 176.3 | -60.2 | -173.3 | -63.4 | -72.2 | 0 | 113.4 | A87 G89 Q90 F97 T98 M99 D258 L259 A260 T328 | A87-K95 HydrophobicContact CB-CB 4.06Å; A87-K95 HydrophobicContact CB-CG 4.4Å; G89-K95 WeakPolarHBondContact O-CD 3.48Å; G89-K95 WeakPolarHBondContact O-CE 3.32Å; G89-K95 PolarHBondContact O-NZ 2.79Å; Q90-K95 VanDerWaalsContact C-NZ 3.29Å; Q90-K95 PolarHBondContact O-NZ 3.17Å; K95-F97 VanDerWaalsContact C-N 3.3Å; K95-F97 PolarHBondContact O-N 2.87Å; K95-T98 WeakPolarHBondContact O-CA 3.21Å; K95-T98 VanDerWaalsContact O-CB 3.28Å; K95-T98 WeakPolarHBondContact O-CB 3.29Å; K95-T98 PolarHBondContact O-N 2.83Å; K95-M99 PolarHBondContact O-N 2.95Å; K95-D258 VanDerWaalsContact CB-OD1 3.24Å; K95-D258 WeakPolarHBondContact CB-OD1 3.37Å; K95-L259 WeakPolarHBondContact CD-O 3.36Å; K95-L259 WeakPolarHBondContact CE-O 3.44Å; K95-A260 WeakPolarHBondContact CE-O 3.38Å; K95-T328 HydrophobicContact CG-CG2 4.43Å; K95-T328 WeakPolarHBondContact CG-OG1 3.45Å |
| 96 | T | 87.4 | Confident | 81.4 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 34% | 0.344 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.1 | -34.7 | 179.6 | -48.3 | 0 | 0 | 0 | 0 | 112.7 | T98 M99 T100 G101 D258 | T96-T98 VanDerWaalsContact C-N 3.31Å; T96-T98 PolarHBondContact O-N 2.93Å; T96-M99 PolarHBondContact O-N 3.44Å; T96-T100 WeakPolarHBondContact O-CB 3.08Å; T96-T100 PolarHBondContact O-N 2.88Å; T96-G101 PolarHBondContact O-N 2.88Å; T96-G101 VanDerWaalsContact O-N 3.15Å; T96-D258 WeakPolarHBondContact CA-OD2 3.17Å; T96-D258 WeakPolarHBondContact CB-OD2 3.19Å; T96-D258 PolarHBondContact OG1-OD2 2.86Å |
| 97 | F | 87.2 | Confident | 79.6 | Confident | 68 Ų | 68 | 46.9 Ų | 46.9 | 30% | 0.298 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63 | -39.3 | 171.5 | -178.9 | -97.9 | 0 | 0 | 0 | 111 | Q62 G94 K95 G101 E102 L116 | Q62-F97 HydrophobicContact CG-CE1 3.94Å; Q62-F97 HydrophobicContact CG-CZ 4.15Å; Q62-F97 PolarHBondContact NE2-O 2.81Å; G94-F97 PolarHBondContact O-N 3.45Å; K95-F97 VanDerWaalsContact C-N 3.3Å; K95-F97 PolarHBondContact O-N 2.87Å; F97-G101 WeakPolarHBondContact O-CA 3.19Å; F97-G101 PolarHBondContact O-N 2.81Å; F97-E102 HydrophobicContact CD2-CG 4.33Å; F97-E102 HydrophobicContact CE2-CG 4.4Å; F97-L116 HydrophobicContact CE2-CD2 4.28Å; F97-L116 HydrophobicContact CZ-CD2 4.46Å |
| 98 | T | 90.6 | Very high | 77.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 176.3 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | R15 V65 G94 K95 T96 I119 I326 | R15-T98 VanDerWaalsContact NH1-CB 3.32Å; R15-T98 VanDerWaalsContact NH1-CG2 3.32Å; R15-T98 PolarHBondContact NH1-OG1 3.02Å; V65-T98 HydrophobicContact CG1-CG2 4.46Å; G94-T98 WeakPolarHBondContact O-CB 3.4Å; G94-T98 PolarHBondContact O-N 3.47Å; G94-T98 PolarHBondContact O-OG1 3.38Å; K95-T98 WeakPolarHBondContact O-CA 3.21Å; K95-T98 VanDerWaalsContact O-CB 3.28Å; K95-T98 WeakPolarHBondContact O-CB 3.29Å; K95-T98 PolarHBondContact O-N 2.83Å; T96-T98 VanDerWaalsContact C-N 3.31Å; T96-T98 PolarHBondContact O-N 2.93Å; T98-I119 HydrophobicContact CG2-CD1 3.66Å; T98-I119 HydrophobicContact CG2-CG1 4.45Å; T98-I119 WeakPolarHBondContact O-CG1 3.42Å; T98-I119 PolarHBondContact O-N 2.86Å; T98-I326 HydrophobicContact CG2-CD1 4.24Å; T98-I326 HydrophobicContact CG2-CG2 4.23Å |
| 99 | M | 90.4 | Very high | 76.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -77.2 | -55.2 | -175.3 | -65.8 | -57.6 | -69.3 | 0 | 0 | 112.8 | A87 K95 T96 G118 I119 I120 L256 D258 | A87-M99 HydrophobicContact CB-CG 3.56Å; A87-M99 HydrophobicContact CB-SD 3.88Å; K95-M99 PolarHBondContact O-N 2.95Å; T96-M99 PolarHBondContact O-N 3.44Å; M99-G118 CarbonylContact O-C 3.6Å; M99-I119 PolarHBondContact O-N 2.99Å; M99-I119 HydrophobicContact SD-CD1 4.25Å; M99-I120 HydrophobicContact CB-CD1 4.36Å; M99-I120 WeakPolarHBondContact O-CG1 3.05Å; M99-I120 PolarHBondContact O-N 3.06Å; M99-L256 HydrophobicContact CE-CB 3.58Å; M99-L256 HydrophobicContact CE-CD2 4.28Å; M99-L256 HydrophobicContact CE-CG 4.47Å; M99-D258 HydrophobicContact CB-CB 4.27Å; M99-D258 HydrophobicContact CG-CB 4.01Å |
| 100 | T | 85.5 | Confident | 75 | Confident | 31 Ų | 31 | 68 Ų | 68 | 19% | 0.19 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -43.5 | -175.6 | -50.1 | 0 | 0 | 0 | 0 | 111.4 | T96 G118 I197 I201 | T96-T100 WeakPolarHBondContact O-CB 3.08Å; T96-T100 PolarHBondContact O-N 2.88Å; T100-G118 WeakPolarHBondContact O-CA 3.36Å; T100-G118 PolarHBondContact O-N 2.85Å; T100-G118 VanDerWaalsContact O-N 3.11Å; T100-I197 HydrophobicContact CG2-CG2 4.26Å; T100-I201 HydrophobicContact CG2-CD1 3.92Å |
| 101 | G | 83.4 | Confident | 74.2 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | 76.9 | -166.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T96 F97 L116 | T96-G101 PolarHBondContact O-N 2.88Å; T96-G101 VanDerWaalsContact O-N 3.15Å; F97-G101 WeakPolarHBondContact O-CA 3.19Å; F97-G101 PolarHBondContact O-N 2.81Å; G101-L116 VanDerWaalsContact CA-O 3.25Å; G101-L116 WeakPolarHBondContact CA-O 3.39Å |
| 102 | E | 73.4 | Confident | 73.5 | Confident | 119 Ų | 119 | 71 Ų | 71 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | trans | -110.8 | 148.7 | 172.4 | -70 | 174.4 | -158.7 | 0 | 0 | 109.6 | F97 S104 L116 | F97-E102 HydrophobicContact CD2-CG 4.33Å; F97-E102 HydrophobicContact CE2-CG 4.4Å; E102-S104 PolarHBondContact O-N 2.85Å; E102-L116 HydrophobicContact CB-CB 4.07Å; E102-L116 HydrophobicContact CB-CD1 4.27Å; E102-L116 PolarHBondContact N-O 3.38Å; E102-L116 VanDerWaalsContact N-O 3.08Å; E102-L116 CarbonylContact O-C 3.55Å; E102-L116 WeakPolarHBondContact O-CB 3.34Å | ||
| 103 | R | 60.7 | Low | 73.1 | Confident | 101 Ų | 101 | 72.9 Ų | 72.9 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | trans | -79 | 111.3 | 178.3 | -167.3 | 175 | -163.9 | 154.5 | 26.9 | 109.4 | E198 | R103-E198 IonicContact CZ-OE1 3.89Å; R103-E198 IonicContact CZ-OE2 3.55Å; R103-E198 IonicContact NH1-OE1 3.83Å; R103-E198 PolarHBondContact NH1-OE1 3.05Å; R103-E198 IonicContact NH1-OE2 2.87Å; R103-E198 PolarHBondContact NH1-OE2 3.16Å | ||
| 104 | S | 56.6 | Low | 72.7 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | trans | -74.1 | 153 | 163.9 | 80.4 | 0 | 0 | 0 | 0 | 109.9 | E102 K106 Y109 D114 | E102-S104 PolarHBondContact O-N 2.85Å; S104-K106 PolarHBondContact O-N 3.29Å; S104-Y109 WeakPolarHBondContact OG-CD2 3.16Å; S104-D114 WeakPolarHBondContact CB-OD2 3.27Å; S104-D114 PolarHBondContact OG-OD1 2.79Å; S104-D114 PolarHBondContact OG-OD2 3.49Å | ||
| 105 | D | 56.7 | Low | 72.1 | Confident | 118 Ų | 118 | 76 Ų | 76 | 63% | 0.631 | 37% | 0.367 | S | S | * | . | trans | -56.4 | 121 | -174.6 | -141.5 | -1.6 | 0 | 0 | 0 | 110.5 | L107 R108 | D105-L107 PolarHBondContact O-N 3.01Å; D105-R108 PolarHBondContact O-N 2.86Å | ||
| 106 | K | 54.2 | Low | 71.7 | Confident | 150 Ų | 150 | 78.2 Ų | 78.2 | 65% | 0.652 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | -20.7 | -165.1 | -82 | 179.5 | 172.8 | 178.6 | 0 | 116.5 | S104 | S104-K106 PolarHBondContact O-N 3.29Š|
| 107 | L | 52.1 | Low | 71.6 | Confident | 169 Ų | 169 | 75.7 Ų | 75.7 | 89% | 0.885 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 1.6 | -164.8 | -67.5 | 167.1 | 0 | 0 | 0 | 114.6 | D105 | D105-L107 PolarHBondContact O-N 3.01Š|
| 108 | R | 56.3 | Low | 71.7 | Confident | 187 Ų | 187 | 72.5 Ų | 72.5 | 71% | 0.706 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -116.8 | -16.2 | -170.2 | -64.4 | -167.7 | -162.5 | -124.5 | 4.1 | 117 | D105 | D105-R108 PolarHBondContact O-N 2.86Š|
| 109 | Y | 59.5 | Low | 71.7 | Confident | 126 Ų | 126 | 72.6 Ų | 72.6 | 49% | 0.494 | 35% | 0.351 | S | S | . | . | trans | -138.6 | 137.9 | -169.6 | -58.1 | -72.7 | 0 | 0 | 0 | 112.8 | S104 | S104-Y109 WeakPolarHBondContact OG-CD2 3.16Š| ||
| 110 | E | 64.2 | Low | 71.7 | Confident | 142 Ų | 142 | 73 Ų | 73 | 66% | 0.664 | 35% | 0.353 | S | S | * | . | trans | -73.6 | 158 | 164.5 | -66.3 | 176.4 | 177 | 0 | 0 | 110.3 | E112 T113 D114 | E110-E112 PolarHBondContact O-N 3.04Å; E110-E112 VanDerWaalsContact O-N 3.12Å; E110-T113 HydrophobicContact CB-CG2 4.47Å; E110-T113 PolarHBondContact N-OG1 3.43Å; E110-T113 PolarHBondContact O-N 3.38Å; E110-T113 PolarHBondContact O-OG1 3.33Å; E110-D114 PolarHBondContact O-N 3.43Å | ||
| 111 | W | 70 | Confident | 71.8 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28 | -175.1 | 73.6 | -91.5 | 0 | 0 | 0 | 114 | Y66 R122 S125 H126 E129 | Y66-W111 HydrophobicContact CD1-CZ3 4.35Å; Y66-W111 HydrophobicContact CE1-CH2 4.22Å; Y66-W111 AromaticContact CE1-CZ3 3.78Å; Y66-W111 HydrophobicContact CE1-CZ3 3.78Å; W111-R122 HydrophobicContact CE3-CB 3.95Å; W111-R122 HydrophobicContact CE3-CG 4.03Å; W111-R122 HydrophobicContact CZ3-CB 4.2Å; W111-R122 PolarHBondContact O-NH1 2.93Å; W111-S125 VanDerWaalsContact CG-CB 3.45Å; W111-H126 HydrophobicContact CH2-CB 3.61Å; W111-H126 AromaticContact CH2-CG 3.83Å; W111-H126 HydrophobicContact CZ2-CB 3.93Å; W111-H126 HydrophobicContact CZ3-CB 4.03Å; W111-E129 WeakPolarHBondContact CZ2-OE2 3.14Å; W111-E129 PolarHBondContact NE1-OE1 3.44Å; W111-E129 PolarHBondContact NE1-OE2 2.97Å |
| 112 | E | 70 | Confident | 72.1 | Confident | 89 Ų | 89 | 71.1 Ų | 71.1 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -41.9 | 173.1 | -67.3 | -162.8 | -177.2 | 0 | 0 | 111.8 | E110 R122 | E110-E112 PolarHBondContact O-N 3.04Å; E110-E112 VanDerWaalsContact O-N 3.12Å; E112-R122 PolarHBondContact O-NH1 3.12Å |
| 113 | T | 73.9 | Confident | 72.9 | Confident | 78 Ų | 78 | 65.4 Ų | 65.4 | 48% | 0.479 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -21.6 | -171.1 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | E110 P115 | E110-T113 HydrophobicContact CB-CG2 4.47Å; E110-T113 PolarHBondContact N-OG1 3.43Å; E110-T113 PolarHBondContact O-N 3.38Å; E110-T113 PolarHBondContact O-OG1 3.33Å; T113-P115 VanDerWaalsContact O-CD 3.26Å; T113-P115 WeakPolarHBondContact O-CD 3.35Å; T113-P115 VanDerWaalsContact O-N 3.13Å |
| 114 | D | 79.3 | Confident | 74.2 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | trans | -58.7 | 116.6 | 178.8 | -175.6 | -27.1 | 0 | 0 | 0 | 109.3 | S104 E110 L116 A117 R122 | S104-D114 WeakPolarHBondContact CB-OD2 3.27Å; S104-D114 PolarHBondContact OG-OD1 2.79Å; S104-D114 PolarHBondContact OG-OD2 3.49Å; E110-D114 PolarHBondContact O-N 3.43Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.13Å; D114-L116 WeakPolarHBondContact OD1-CA 3.34Å; D114-L116 PolarHBondContact OD1-N 2.88Å; D114-A117 HydrophobicContact CB-CB 3.83Å; D114-A117 PolarHBondContact OD1-N 2.84Å; D114-R122 PolarHBondContact O-NH2 2.77Å | ||
| 115 | P | 74.3 | Confident | 75.6 | Confident | 77 Ų | 77 | 60 Ų | 60 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -72.1 | -20.9 | -178 | 26.8 | -31.8 | 0 | 0 | 0 | 113.7 | Q62 T113 | Q62-P115 WeakPolarHBondContact CG-O 3.45Å; T113-P115 VanDerWaalsContact O-CD 3.26Å; T113-P115 WeakPolarHBondContact O-CD 3.35Å; T113-P115 VanDerWaalsContact O-N 3.13Å |
| 116 | L | 80.9 | Confident | 77 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -103.1 | -24.3 | -170.7 | -63.7 | 176.8 | 0 | 0 | 0 | 113.4 | F97 G101 E102 D114 G118 | F97-L116 HydrophobicContact CE2-CD2 4.28Å; F97-L116 HydrophobicContact CZ-CD2 4.46Å; G101-L116 VanDerWaalsContact CA-O 3.25Å; G101-L116 WeakPolarHBondContact CA-O 3.39Å; E102-L116 HydrophobicContact CB-CB 4.07Å; E102-L116 HydrophobicContact CB-CD1 4.27Å; E102-L116 PolarHBondContact N-O 3.38Å; E102-L116 VanDerWaalsContact N-O 3.08Å; E102-L116 CarbonylContact O-C 3.55Å; E102-L116 WeakPolarHBondContact O-CB 3.34Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.13Å; D114-L116 WeakPolarHBondContact OD1-CA 3.34Å; D114-L116 PolarHBondContact OD1-N 2.88Å; L116-G118 PolarHBondContact O-N 3.38Å |
| 117 | A | 84.5 | Confident | 78.7 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -56.2 | 129.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q62 D114 P121 R122 | Q62-A117 WeakPolarHBondContact CB-O 3.39Å; Q62-A117 PolarHBondContact NE2-O 3.14Å; D114-A117 HydrophobicContact CB-CB 3.83Å; D114-A117 PolarHBondContact OD1-N 2.84Å; A117-P121 HydrophobicContact CB-CG 4.21Å; A117-R122 HydrophobicContact CB-CG 4.5Å; A117-R122 PolarHBondContact O-NE 2.94Å; A117-R122 PolarHBondContact O-NH2 2.62Å |
| 118 | G | 89.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | trans | -80.8 | -168.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M99 T100 L116 R122 | M99-G118 CarbonylContact O-C 3.6Å; T100-G118 WeakPolarHBondContact O-CA 3.36Å; T100-G118 PolarHBondContact O-N 2.85Å; T100-G118 VanDerWaalsContact O-N 3.11Å; L116-G118 PolarHBondContact O-N 3.38Å; G118-R122 WeakPolarHBondContact O-CD 3.3Å; G118-R122 WeakPolarHBondContact O-CG 3.21Å | ||
| 119 | I | 91.5 | Very high | 81.8 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -46.5 | -178.5 | -70.4 | 169.5 | 0 | 0 | 0 | 112.1 | V70 T98 M99 R122 V123 L256 I326 | V70-I119 HydrophobicContact CG1-CG2 4.03Å; V70-I119 HydrophobicContact CG2-CD1 4.01Å; V70-I119 HydrophobicContact CG2-CG1 4.12Å; V70-I119 HydrophobicContact CG2-CG2 3.89Å; T98-I119 HydrophobicContact CG2-CD1 3.66Å; T98-I119 HydrophobicContact CG2-CG1 4.45Å; T98-I119 WeakPolarHBondContact O-CG1 3.42Å; T98-I119 PolarHBondContact O-N 2.86Å; M99-I119 PolarHBondContact O-N 2.99Å; M99-I119 HydrophobicContact SD-CD1 4.25Å; I119-R122 PolarHBondContact O-N 2.9Å; I119-V123 HydrophobicContact CG2-CG2 3.73Å; I119-V123 WeakPolarHBondContact O-CB 3.45Å; I119-V123 VanDerWaalsContact O-CG2 3.29Å; I119-V123 WeakPolarHBondContact O-CG2 3.49Å; I119-V123 PolarHBondContact O-N 3.38Å; I119-L256 HydrophobicContact CG2-CD2 4.17Å; I119-I326 HydrophobicContact CD1-CD1 3.49Å; I119-I326 VanDerWaalsContact CD1-CD1 3.49Å |
| 120 | I | 90.2 | Very high | 83.1 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.3 | -55.5 | -174.4 | -61.9 | 165.4 | 0 | 0 | 0 | 112.6 | M99 R122 V123 L124 I197 F231 L256 | M99-I120 HydrophobicContact CB-CD1 4.36Å; M99-I120 WeakPolarHBondContact O-CG1 3.05Å; M99-I120 PolarHBondContact O-N 3.06Å; I120-R122 VanDerWaalsContact C-N 3.29Å; I120-R122 PolarHBondContact O-N 3.45Å; I120-V123 PolarHBondContact O-N 3.28Å; I120-L124 HydrophobicContact CG2-CD1 4.15Å; I120-L124 PolarHBondContact O-N 3.27Å; I120-I197 HydrophobicContact CG2-CD1 3.67Å; I120-I197 HydrophobicContact CG2-CG1 4.22Å; I120-F231 HydrophobicContact CD1-CB 4.33Å; I120-F231 HydrophobicContact CG2-CD1 3.88Å; I120-F231 HydrophobicContact CG2-CE1 3.84Å; I120-F231 HydrophobicContact CG2-CG 4.33Å; I120-F231 HydrophobicContact CG2-CZ 4.28Å; I120-L256 HydrophobicContact CB-CD1 4.2Å; I120-L256 HydrophobicContact CG1-CB 4.25Å; I120-L256 HydrophobicContact CG1-CD1 3.65Å; I120-L256 HydrophobicContact CG2-CD1 4.41Å |
| 121 | P | 87.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 4% | 0.039 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -33.2 | 179.9 | 23.9 | -34.1 | 0 | 0 | 0 | 112.9 | A117 S125 Y194 | A117-P121 HydrophobicContact CB-CG 4.21Å; P121-S125 WeakPolarHBondContact O-CB 3.29Å; P121-S125 PolarHBondContact O-N 3.26Å; P121-S125 PolarHBondContact O-OG 2.9Å; P121-Y194 HydrophobicContact CB-CE1 3.95Å |
| 122 | R | 88.2 | Confident | 84.8 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.5 | -43.3 | 176.8 | -66.5 | 179.9 | -166.7 | -92.3 | 7.1 | 112.5 | Y66 W111 E112 D114 A117 G118 I119 I120 L124 S125 H126 | Y66-R122 HydrophobicContact CD2-CB 3.68Å; Y66-R122 HydrophobicContact CE1-CB 4.48Å; Y66-R122 HydrophobicContact CE2-CB 3.6Å; Y66-R122 HydrophobicContact CG-CB 4.17Å; Y66-R122 PolarHBondContact OH-O 2.7Å; W111-R122 HydrophobicContact CE3-CB 3.95Å; W111-R122 HydrophobicContact CE3-CG 4.03Å; W111-R122 HydrophobicContact CZ3-CB 4.2Å; W111-R122 PolarHBondContact O-NH1 2.93Å; E112-R122 PolarHBondContact O-NH1 3.12Å; D114-R122 PolarHBondContact O-NH2 2.77Å; A117-R122 HydrophobicContact CB-CG 4.5Å; A117-R122 PolarHBondContact O-NE 2.94Å; A117-R122 PolarHBondContact O-NH2 2.62Å; G118-R122 WeakPolarHBondContact O-CD 3.3Å; G118-R122 WeakPolarHBondContact O-CG 3.21Å; I119-R122 PolarHBondContact O-N 2.9Å; I120-R122 VanDerWaalsContact C-N 3.29Å; I120-R122 PolarHBondContact O-N 3.45Å; R122-L124 VanDerWaalsContact C-N 3.31Å; R122-L124 PolarHBondContact O-N 2.87Å; R122-S125 PolarHBondContact O-N 3.05Å; R122-H126 VanDerWaalsContact O-CB 3.27Å; R122-H126 WeakPolarHBondContact O-CB 3.17Å; R122-H126 PolarHBondContact O-N 3.32Å |
| 123 | V | 90.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -52.9 | -53.2 | 174.3 | 161.1 | 0 | 0 | 0 | 0 | 109.7 | Y66 V70 I74 I119 I120 L127 L254 L256 | Y66-V123 HydrophobicContact CE2-CG2 3.87Å; V70-V123 HydrophobicContact CG1-CG2 3.39Å; I74-V123 HydrophobicContact CD1-CB 4.45Å; I74-V123 HydrophobicContact CD1-CG1 3.96Å; I74-V123 HydrophobicContact CD1-CG2 4.38Å; I119-V123 HydrophobicContact CG2-CG2 3.73Å; I119-V123 WeakPolarHBondContact O-CB 3.45Å; I119-V123 VanDerWaalsContact O-CG2 3.29Å; I119-V123 WeakPolarHBondContact O-CG2 3.49Å; I119-V123 PolarHBondContact O-N 3.38Å; I120-V123 PolarHBondContact O-N 3.28Å; V123-L127 WeakPolarHBondContact O-CB 3.29Å; V123-L127 PolarHBondContact O-N 3.39Å; V123-L254 HydrophobicContact CB-CD2 4.5Å; V123-L254 HydrophobicContact CG1-CD2 3.41Å; V123-L254 VanDerWaalsContact CG1-CD2 3.41Å; V123-L254 HydrophobicContact CG2-CD2 4.23Å; V123-L256 HydrophobicContact CB-CD1 4.36Å; V123-L256 HydrophobicContact CG1-CD1 4.31Å; V123-L256 HydrophobicContact CG2-CD1 4.24Å |
| 124 | L | 88.2 | Confident | 85.7 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | -175.5 | -70.2 | 164.6 | 0 | 0 | 0 | 111 | I120 R122 L127 F128 V142 V193 F231 V233 | I120-L124 HydrophobicContact CG2-CD1 4.15Å; I120-L124 PolarHBondContact O-N 3.27Å; R122-L124 VanDerWaalsContact C-N 3.31Å; R122-L124 PolarHBondContact O-N 2.87Å; L124-L127 PolarHBondContact O-N 2.88Å; L124-F128 WeakPolarHBondContact O-CD2 3.25Å; L124-F128 PolarHBondContact O-N 3.09Å; L124-V142 HydrophobicContact CD2-CG1 4.23Å; L124-V193 HydrophobicContact CB-CB 4.46Å; L124-V193 HydrophobicContact CB-CG1 3.9Å; L124-V193 HydrophobicContact CB-CG2 3.72Å; L124-V193 HydrophobicContact CD1-CB 4.1Å; L124-V193 HydrophobicContact CD1-CG1 3.22Å; L124-V193 HydrophobicContact CD1-CG2 3.87Å; L124-V193 HydrophobicContact CG-CG1 4.17Å; L124-V193 HydrophobicContact CG-CG2 4.25Å; L124-F231 HydrophobicContact CD1-CE1 3.84Å; L124-F231 HydrophobicContact CD1-CZ 3.95Å; L124-V233 HydrophobicContact CD2-CG1 3.93Å; L124-V233 HydrophobicContact CD2-CG2 3.79Å |
| 125 | S | 86 | Confident | 85.3 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | W111 P121 R122 F128 E129 | W111-S125 VanDerWaalsContact CG-CB 3.45Å; P121-S125 WeakPolarHBondContact O-CB 3.29Å; P121-S125 PolarHBondContact O-N 3.26Å; P121-S125 PolarHBondContact O-OG 2.9Å; R122-S125 PolarHBondContact O-N 3.05Å; S125-F128 PolarHBondContact O-N 2.78Å; S125-E129 WeakPolarHBondContact O-CG 3.44Å; S125-E129 PolarHBondContact O-N 2.62Å |
| 126 | H | 87.8 | Confident | 85.4 | Confident | 45 Ų | 45 | 30.5 Ų | 30.5 | 21% | 0.208 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 178.2 | -175.5 | -161.7 | 0 | 0 | 0 | 111.9 | Y66 W111 R122 E129 T130 | Y66-H126 AromaticContact CE1-ND1 3.84Å; Y66-H126 AromaticContact CZ-ND1 3.73Å; Y66-H126 WeakPolarHBondContact OH-CB 3.41Å; Y66-H126 VanDerWaalsContact OH-CG 3.29Å; Y66-H126 PolarHBondContact OH-ND1 2.96Å; W111-H126 HydrophobicContact CH2-CB 3.61Å; W111-H126 AromaticContact CH2-CG 3.83Å; W111-H126 HydrophobicContact CZ2-CB 3.93Å; W111-H126 HydrophobicContact CZ3-CB 4.03Å; R122-H126 VanDerWaalsContact O-CB 3.27Å; R122-H126 WeakPolarHBondContact O-CB 3.17Å; R122-H126 PolarHBondContact O-N 3.32Å; H126-E129 PolarHBondContact O-N 2.95Å; H126-T130 PolarHBondContact CD2-OG1 2.83Å; H126-T130 WeakPolarHBondContact O-CB 3.45Å; H126-T130 PolarHBondContact O-N 2.93Å; H126-T130 PolarHBondContact O-OG1 3.46Å |
| 127 | L | 89.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 176.6 | 180 | 66.4 | 0 | 0 | 0 | 111.1 | I74 I78 V123 L124 T130 L131 V233 V235 | I74-L127 HydrophobicContact CG2-CD1 4.1Å; I78-L127 HydrophobicContact CD1-CD1 4.41Å; I78-L127 HydrophobicContact CG1-CD1 4.25Å; V123-L127 WeakPolarHBondContact O-CB 3.29Å; V123-L127 PolarHBondContact O-N 3.39Å; L124-L127 PolarHBondContact O-N 2.88Å; L127-T130 PolarHBondContact O-N 3.25Å; L127-L131 HydrophobicContact CD1-CD1 3.97Å; L127-L131 HydrophobicContact CD1-CG 4.17Å; L127-L131 HydrophobicContact CG-CD1 3.83Å; L127-L131 HydrophobicContact CG-CG 4.4Å; L127-L131 VanDerWaalsContact O-CB 3.29Å; L127-L131 WeakPolarHBondContact O-CB 3.36Å; L127-L131 WeakPolarHBondContact O-CG 3.28Å; L127-L131 PolarHBondContact O-N 3.26Å; L127-V233 HydrophobicContact CD2-CG1 3.85Å; L127-V235 HydrophobicContact CD1-CG2 4.17Å; L127-V235 HydrophobicContact CD2-CG2 3.68Å; L127-V235 HydrophobicContact CG-CG2 4.38Å |
| 128 | F | 86.5 | Confident | 85.6 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 175.9 | -82.2 | -67.3 | 0 | 0 | 0 | 111.9 | L124 S125 L131 Q132 F138 V140 V187 V193 | L124-F128 WeakPolarHBondContact O-CD2 3.25Å; L124-F128 PolarHBondContact O-N 3.09Å; S125-F128 PolarHBondContact O-N 2.78Å; F128-L131 PolarHBondContact O-N 3.36Å; F128-Q132 VanDerWaalsContact O-CB 3.3Å; F128-Q132 WeakPolarHBondContact O-CB 3.39Å; F128-Q132 WeakPolarHBondContact O-CG 3.29Å; F128-Q132 PolarHBondContact O-N 2.92Å; F128-F138 AromaticContact CD1-CE2 3.79Å; F128-F138 HydrophobicContact CD1-CE2 3.79Å; F128-F138 HydrophobicContact CD1-CZ 4.29Å; F128-F138 AromaticContact CE1-CE2 3.93Å; F128-F138 HydrophobicContact CE1-CE2 3.93Å; F128-V140 HydrophobicContact CD1-CG2 4.48Å; F128-V140 HydrophobicContact CE1-CB 4.15Å; F128-V140 HydrophobicContact CE1-CG2 3.82Å; F128-V140 HydrophobicContact CZ-CB 3.9Å; F128-V140 HydrophobicContact CZ-CG1 4.22Å; F128-V140 HydrophobicContact CZ-CG2 3.99Å; F128-V187 HydrophobicContact CE2-CG1 3.83Å; F128-V187 HydrophobicContact CZ-CB 4.11Å; F128-V187 HydrophobicContact CZ-CG1 3.72Å; F128-V187 WeakPolarHBondContact CZ-O 3.32Å; F128-V193 HydrophobicContact CD2-CG2 4.49Å; F128-V193 HydrophobicContact CE2-CG2 3.91Å |
| 129 | E | 85.9 | Confident | 85.6 | Confident | 66 Ų | 66 | 38.3 Ų | 38.3 | 31% | 0.308 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.8 | -46 | 175.8 | -76.9 | 173.9 | -174.3 | 0 | 0 | 112.2 | W111 S125 H126 Q132 S133 K190 | W111-E129 WeakPolarHBondContact CZ2-OE2 3.14Å; W111-E129 PolarHBondContact NE1-OE1 3.44Å; W111-E129 PolarHBondContact NE1-OE2 2.97Å; S125-E129 WeakPolarHBondContact O-CG 3.44Å; S125-E129 PolarHBondContact O-N 2.62Å; H126-E129 PolarHBondContact O-N 2.95Å; E129-Q132 PolarHBondContact O-N 3.14Å; E129-S133 WeakPolarHBondContact O-CB 3.42Å; E129-S133 PolarHBondContact O-N 3.33Å; E129-K190 IonicContact OE1-NZ 3.4Å; E129-K190 PolarHBondContact OE1-NZ 3.37Å |
| 130 | T | 86.9 | Confident | 85.5 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 179.9 | -49.2 | 0 | 0 | 0 | 0 | 111 | I78 H126 L127 S133 N134 | I78-T130 HydrophobicContact CD1-CG2 3.36Å; H126-T130 PolarHBondContact CD2-OG1 2.83Å; H126-T130 WeakPolarHBondContact O-CB 3.45Å; H126-T130 PolarHBondContact O-N 2.93Å; H126-T130 PolarHBondContact O-OG1 3.46Å; L127-T130 PolarHBondContact O-N 3.25Å; T130-S133 PolarHBondContact O-N 3.3Å; T130-S133 PolarHBondContact O-OG 3.24Å; T130-N134 PolarHBondContact O-N 3.15Å; T130-N134 VanDerWaalsContact O-N 3.12Å |
| 131 | L | 85.9 | Confident | 85.6 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 177.9 | -72.8 | 173.3 | 0 | 0 | 0 | 112.3 | I78 L127 F128 S133 N134 F138 V140 V235 I237 | I78-L131 HydrophobicContact CD1-CD2 4.41Å; I78-L131 HydrophobicContact CG1-CD2 4.15Å; L127-L131 HydrophobicContact CD1-CD1 3.97Å; L127-L131 HydrophobicContact CD1-CG 4.17Å; L127-L131 HydrophobicContact CG-CD1 3.83Å; L127-L131 HydrophobicContact CG-CG 4.4Å; L127-L131 VanDerWaalsContact O-CB 3.29Å; L127-L131 WeakPolarHBondContact O-CB 3.36Å; L127-L131 WeakPolarHBondContact O-CG 3.28Å; L127-L131 PolarHBondContact O-N 3.26Å; F128-L131 PolarHBondContact O-N 3.36Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-N134 PolarHBondContact O-N 3.4Å; L131-F138 HydrophobicContact CB-CD1 3.62Å; L131-F138 HydrophobicContact CB-CD2 4.15Å; L131-F138 HydrophobicContact CB-CE1 3.68Å; L131-F138 HydrophobicContact CB-CE2 4.19Å; L131-F138 HydrophobicContact CB-CG 3.87Å; L131-F138 HydrophobicContact CB-CZ 3.97Å; L131-F138 HydrophobicContact CD1-CB 4.28Å; L131-F138 HydrophobicContact CD1-CD2 3.74Å; L131-F138 HydrophobicContact CD1-CE2 4.2Å; L131-F138 HydrophobicContact CD1-CG 3.94Å; L131-F138 HydrophobicContact CD2-CB 4.28Å; L131-F138 HydrophobicContact CD2-CG 4.41Å; L131-F138 HydrophobicContact CG-CD1 4.49Å; L131-F138 HydrophobicContact CG-CG 4.3Å; L131-V140 HydrophobicContact CD1-CG2 3.87Å; L131-V235 HydrophobicContact CD1-CG1 3.77Å; L131-V235 HydrophobicContact CD2-CG1 4.13Å; L131-I237 HydrophobicContact CD2-CD1 3.72Å; L131-I237 HydrophobicContact CD2-CG1 4.03Å |
| 132 | Q | 83.8 | Confident | 85.9 | Confident | 120 Ų | 120 | 41.6 Ų | 41.6 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.3 | -38.7 | 174.6 | -73.9 | 171.8 | 3.2 | 0 | 0 | 111.8 | F128 E129 N134 G135 F138 | F128-Q132 VanDerWaalsContact O-CB 3.3Å; F128-Q132 WeakPolarHBondContact O-CB 3.39Å; F128-Q132 WeakPolarHBondContact O-CG 3.29Å; F128-Q132 PolarHBondContact O-N 2.92Å; E129-Q132 PolarHBondContact O-N 3.14Å; Q132-N134 VanDerWaalsContact C-N 3.32Å; Q132-N134 PolarHBondContact O-N 3.09Å; Q132-G135 PolarHBondContact O-N 2.61Å; Q132-F138 HydrophobicContact CG-CE1 4.14Å; Q132-F138 HydrophobicContact CG-CZ 3.92Å |
| 133 | S | 83.4 | Confident | 86 | Confident | 92 Ų | 92 | 41.7 Ų | 41.7 | 64% | 0.643 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.4 | -30.3 | 177.8 | 75.9 | 0 | 0 | 0 | 0 | 113.7 | E129 T130 L131 G135 | E129-S133 WeakPolarHBondContact O-CB 3.42Å; E129-S133 PolarHBondContact O-N 3.33Å; T130-S133 PolarHBondContact O-N 3.3Å; T130-S133 PolarHBondContact O-OG 3.24Å; L131-S133 VanDerWaalsContact C-N 3.34Å; S133-G135 VanDerWaalsContact C-N 3.28Å; S133-G135 PolarHBondContact O-N 2.98Å |
| 134 | N | 79.6 | Confident | 86.1 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -12.5 | 179.9 | -72.4 | -14.4 | 0 | 0 | 0 | 113.7 | T130 L131 Q132 S136 | T130-N134 PolarHBondContact O-N 3.15Å; T130-N134 VanDerWaalsContact O-N 3.12Å; L131-N134 PolarHBondContact O-N 3.4Å; Q132-N134 VanDerWaalsContact C-N 3.32Å; Q132-N134 PolarHBondContact O-N 3.09Å; N134-S136 PolarHBondContact O-N 3.13Å |
| 135 | G | 72.4 | Confident | 86.2 | Confident | 70 Ų | 70 | 42.5 Ų | 42.5 | 72% | 0.722 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 10.2 | 176 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q132 S133 | Q132-G135 PolarHBondContact O-N 2.61Å; S133-G135 VanDerWaalsContact C-N 3.28Å; S133-G135 PolarHBondContact O-N 2.98Å |
| 136 | S | 75.1 | Confident | 86.3 | Confident | 42 Ų | 42 | 42.8 Ų | 42.8 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | trans | -89.1 | 148.3 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | N134 F138 | N134-S136 PolarHBondContact O-N 3.13Å; S136-F138 VanDerWaalsContact O-CD1 3.32Å; S136-F138 WeakPolarHBondContact O-CD1 3.41Å; S136-F138 PolarHBondContact O-N 2.76Å | ||
| 137 | D | 83.4 | Confident | 86.2 | Confident | 113 Ų | 113 | 40.8 Ų | 40.8 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 123.9 | 173.7 | -74.1 | -21.7 | 0 | 0 | 0 | 109.8 | K238 | D137-K238 HydrophobicContact CB-CB 4.06Å; D137-K238 HydrophobicContact CB-CD 4.31Å; D137-K238 PolarHBondContact O-N 3.41Å |
| 138 | F | 86.5 | Confident | 85.9 | Confident | 67 Ų | 67 | 42 Ų | 42 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 155.3 | -178.9 | 65.4 | -94.8 | 0 | 0 | 0 | 113 | F128 L131 Q132 S136 V140 H236 | F128-F138 AromaticContact CD1-CE2 3.79Å; F128-F138 HydrophobicContact CD1-CE2 3.79Å; F128-F138 HydrophobicContact CD1-CZ 4.29Å; F128-F138 AromaticContact CE1-CE2 3.93Å; F128-F138 HydrophobicContact CE1-CE2 3.93Å; L131-F138 HydrophobicContact CB-CD1 3.62Å; L131-F138 HydrophobicContact CB-CD2 4.15Å; L131-F138 HydrophobicContact CB-CE1 3.68Å; L131-F138 HydrophobicContact CB-CE2 4.19Å; L131-F138 HydrophobicContact CB-CG 3.87Å; L131-F138 HydrophobicContact CB-CZ 3.97Å; L131-F138 HydrophobicContact CD1-CB 4.28Å; L131-F138 HydrophobicContact CD1-CD2 3.74Å; L131-F138 HydrophobicContact CD1-CE2 4.2Å; L131-F138 HydrophobicContact CD1-CG 3.94Å; L131-F138 HydrophobicContact CD2-CB 4.28Å; L131-F138 HydrophobicContact CD2-CG 4.41Å; L131-F138 HydrophobicContact CG-CD1 4.49Å; L131-F138 HydrophobicContact CG-CG 4.3Å; Q132-F138 HydrophobicContact CG-CE1 4.14Å; Q132-F138 HydrophobicContact CG-CZ 3.92Å; S136-F138 VanDerWaalsContact O-CD1 3.32Å; S136-F138 WeakPolarHBondContact O-CD1 3.41Å; S136-F138 PolarHBondContact O-N 2.76Å; F138-V140 HydrophobicContact CD2-CG2 4.09Å; F138-V140 HydrophobicContact CE2-CG2 4.46Å; F138-H236 CarbonylContact C-O 3.43Å; F138-H236 WeakPolarHBondContact CA-O 3.42Å |
| 139 | S | 88.4 | Confident | 85.4 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 123.4 | 170.7 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | H236 | S139-H236 PolarHBondContact N-O 2.84Å; S139-H236 PolarHBondContact O-N 3.42Å |
| 140 | V | 90.8 | Very high | 85.3 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.3 | 178.3 | -177 | 0 | 0 | 0 | 0 | 109 | F128 L131 F138 V142 V187 V233 | F128-V140 HydrophobicContact CD1-CG2 4.48Å; F128-V140 HydrophobicContact CE1-CB 4.15Å; F128-V140 HydrophobicContact CE1-CG2 3.82Å; F128-V140 HydrophobicContact CZ-CB 3.9Å; F128-V140 HydrophobicContact CZ-CG1 4.22Å; F128-V140 HydrophobicContact CZ-CG2 3.99Å; L131-V140 HydrophobicContact CD1-CG2 3.87Å; F138-V140 HydrophobicContact CD2-CG2 4.09Å; F138-V140 HydrophobicContact CE2-CG2 4.46Å; V140-V142 HydrophobicContact CG1-CG1 4.44Å; V140-V187 PolarHBondContact O-N 3.28Å; V140-V233 HydrophobicContact CG1-CG1 3.73Å |
| 141 | R | 91.9 | Very high | 85.1 | Confident | 82 Ų | 82 | 45.7 Ų | 45.7 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.7 | 173.9 | -70.8 | -170.5 | -80 | 175.8 | -17 | 109.9 | E184 V185 V186 V233 T234 H236 | R141-E184 HydrophobicContact CB-CB 4.47Å; R141-E184 IonicContact CZ-OE2 2.8Å; R141-E184 VanDerWaalsContact CZ-OE2 3.3Å; R141-E184 IonicContact NE-OE2 3.31Å; R141-E184 IonicContact NH1-OE2 3.16Å; R141-E184 PolarHBondContact NH1-OE2 2.98Å; R141-V185 CarbonylContact C-O 3.55Å; R141-V185 WeakPolarHBondContact CA-O 3.44Å; R141-V186 HydrophobicContact CG-CG2 4.07Å; R141-V233 CarbonylContact O-C 3.56Å; R141-T234 PolarHBondContact N-O 3.14Å; R141-T234 PolarHBondContact O-N 2.66Å; R141-H236 PolarHBondContact NE-NE2 2.92Å; R141-H236 PolarHBondContact NH2-CE1 2.72Å; R141-H236 PolarHBondContact NH2-NE2 3.49Å |
| 142 | V | 92.7 | Very high | 85 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.1 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | L124 V140 L156 V185 V187 V196 F231 T232 V233 | L124-V142 HydrophobicContact CD2-CG1 4.23Å; V140-V142 HydrophobicContact CG1-CG1 4.44Å; V142-L156 HydrophobicContact CG2-CD1 4.39Å; V142-V185 HydrophobicContact CG2-CB 4.37Å; V142-V185 PolarHBondContact N-O 3.03Å; V142-V185 PolarHBondContact O-N 3.39Å; V142-V187 HydrophobicContact CB-CG2 4.24Å; V142-V187 HydrophobicContact CG1-CG2 3.81Å; V142-V187 HydrophobicContact CG2-CG2 3.4Å; V142-V187 VanDerWaalsContact CG2-CG2 3.4Å; V142-V196 HydrophobicContact CG2-CG1 3.71Å; V142-V196 HydrophobicContact CG2-CG2 4.37Å; V142-F231 HydrophobicContact CB-CE1 4.35Å; V142-F231 HydrophobicContact CB-CE2 4.36Å; V142-F231 HydrophobicContact CB-CZ 3.79Å; V142-F231 HydrophobicContact CG1-CE1 4.2Å; V142-F231 HydrophobicContact CG1-CZ 3.91Å; V142-F231 HydrophobicContact CG2-CZ 4.31Å; V142-T232 CarbonylContact C-O 3.52Å; V142-T232 VanDerWaalsContact CA-O 3.28Å; V142-T232 WeakPolarHBondContact CA-O 3.33Å; V142-V233 HydrophobicContact CG1-CG1 4.41Å; V142-V233 HydrophobicContact CG1-CG2 4.24Å |
| 143 | S | 91.7 | Very high | 85.1 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.6 | 171.3 | 65 | 0 | 0 | 0 | 0 | 109.1 | T232 | S143-T232 PolarHBondContact N-O 2.88Å; S143-T232 PolarHBondContact O-N 2.78Å; S143-T232 WeakPolarHBondContact OG-CB 3.28Å |
| 144 | F | 91.4 | Very high | 85.3 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 112.3 | -179.9 | -162 | -173.6 | 0 | 0 | 0 | 110.3 | L155 L156 F231 | F144-L155 HydrophobicContact CB-CB 4.06Å; F144-L155 HydrophobicContact CD1-CB 3.95Å; F144-L155 HydrophobicContact CD1-CD1 3.77Å; F144-L155 HydrophobicContact CD2-CD1 3.84Å; F144-L155 HydrophobicContact CE1-CD1 3.74Å; F144-L155 HydrophobicContact CE2-CD1 3.86Å; F144-L155 HydrophobicContact CG-CB 3.99Å; F144-L155 HydrophobicContact CG-CD1 3.8Å; F144-L155 HydrophobicContact CG-CG 4.46Å; F144-L155 HydrophobicContact CZ-CD1 3.79Å; F144-L155 WeakPolarHBondContact O-CB 3.37Å; F144-L155 PolarHBondContact O-N 2.98Å; F144-L156 HydrophobicContact CB-CD1 3.96Å; F144-L156 HydrophobicContact CB-CD2 4.21Å; F144-L156 HydrophobicContact CB-CG 3.77Å; F144-F231 HydrophobicContact CB-CD2 3.99Å; F144-F231 HydrophobicContact CB-CE2 4.44Å; F144-F231 HydrophobicContact CD1-CD2 4.12Å; F144-F231 HydrophobicContact CD2-CB 4.03Å; F144-F231 AromaticContact CD2-CD2 3.86Å; F144-F231 HydrophobicContact CD2-CD2 3.86Å; F144-F231 HydrophobicContact CD2-CG 4.46Å; F144-F231 HydrophobicContact CE2-CB 4.15Å; F144-F231 HydrophobicContact CE2-CD2 4.31Å; F144-F231 AromaticContact CG-CD2 3.76Å; F144-F231 HydrophobicContact CG-CD2 3.76Å; F144-F231 HydrophobicContact CG-CE2 4.47Å |
| 145 | L | 89.9 | Confident | 85.6 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.4 | -174.3 | -178.8 | 77.4 | 0 | 0 | 0 | 109.6 | L152 L165 L182 I230 L312 | L145-L152 HydrophobicContact CD1-CB 4.32Å; L145-L152 HydrophobicContact CD2-CD2 4.38Å; L145-L165 HydrophobicContact CD1-CD1 3.38Å; L145-L182 HydrophobicContact CB-CD1 4.26Å; L145-L182 HydrophobicContact CD1-CD1 3.96Å; L145-I230 HydrophobicContact CB-CB 4.43Å; L145-I230 HydrophobicContact CD2-CD1 4.46Å; L145-I230 PolarHBondContact N-O 2.84Å; L145-I230 PolarHBondContact O-N 2.86Å; L145-L312 HydrophobicContact CD2-CD1 3.62Å; L145-L312 HydrophobicContact CD2-CD2 4.37Å |
| 146 | E | 89.1 | Confident | 86.3 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.3 | 170.1 | 179.8 | 171.9 | -145.4 | 0 | 0 | 110.5 | L152 F153 L155 R204 S227 H228 | E146-L152 WeakPolarHBondContact O-CA 3.49Å; E146-F153 HydrophobicContact CB-CB 4.33Å; E146-F153 PolarHBondContact N-O 2.86Å; E146-F153 PolarHBondContact O-N 3.48Å; E146-L155 HydrophobicContact CB-CD1 3.98Å; E146-L155 HydrophobicContact CB-CD2 4.05Å; E146-L155 HydrophobicContact CB-CG 3.95Å; E146-R204 WeakPolarHBondContact OE1-CG 3.37Å; E146-R204 IonicContact OE1-CZ 3.94Å; E146-R204 IonicContact OE1-NE 2.78Å; E146-R204 PolarHBondContact OE1-NE 3.46Å; E146-S227 WeakPolarHBondContact OE1-CB 3.49Å; E146-S227 PolarHBondContact OE1-OG 2.8Å; E146-H228 CarbonylContact C-O 3.54Å; E146-H228 WeakPolarHBondContact CA-O 3.37Å |
| 147 | V | 86.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 110.6 | 171.6 | -168.6 | 0 | 0 | 0 | 0 | 108.2 | E151 L152 S227 H228 I230 L312 | V147-E151 WeakPolarHBondContact CA-O 3.49Å; V147-L152 HydrophobicContact CB-CD2 4.27Å; V147-L152 HydrophobicContact CG1-CD2 4.06Å; V147-L152 HydrophobicContact CG2-CD2 3.63Å; V147-S227 WeakPolarHBondContact O-CA 3.48Å; V147-H228 HydrophobicContact CB-CB 4.2Å; V147-H228 PolarHBondContact N-O 3Å; V147-H228 PolarHBondContact O-N 3.46Å; V147-I230 HydrophobicContact CG2-CD1 4.48Å; V147-L312 HydrophobicContact CG2-CD1 3.99Å |
| 148 | Y | 81.8 | Confident | 85.8 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 11% | 0.114 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.6 | 178.8 | 178 | -109.6 | 0 | 0 | 0 | 109.6 | E150 E151 L211 R226 | Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 2.94Å; Y148-E151 PolarHBondContact N-O 3.49Å; Y148-E151 WeakPolarHBondContact O-CA 3.32Å; Y148-E151 WeakPolarHBondContact O-CB 3.15Å; Y148-E151 PolarHBondContact O-N 3.2Å; Y148-L211 HydrophobicContact CD1-CD1 4.03Å; Y148-L211 HydrophobicContact CE1-CD1 4.12Å; Y148-R226 HydrophobicContact CE2-CB 4.12Å |
| 149 | N | 77.5 | Confident | 84.6 | Confident | 68 Ų | 68 | 28.5 Ų | 28.5 | 36% | 0.364 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 43.8 | 179.4 | -167.5 | 38.7 | 0 | 0 | 0 | 113.7 | E151 S280 | N149-E151 PolarHBondContact O-N 2.9Å; N149-E151 VanDerWaalsContact O-N 3.12Å; N149-S280 WeakPolarHBondContact OD1-CB 3.43Å |
| 150 | E | 82 | Confident | 83.2 | Confident | 31 Ų | 31 | 35.1 Ų | 35.1 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 23.9 | -174.6 | -65.2 | -65.6 | 141.6 | 0 | 0 | 114 | Y148 S284 S307 K308 | Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 2.94Å; E150-S284 WeakPolarHBondContact OE1-CB 3.49Å; E150-S307 WeakPolarHBondContact OE1-CB 3.5Å; E150-S307 PolarHBondContact OE1-OG 3.44Å; E150-S307 WeakPolarHBondContact OE2-CA 3.25Å; E150-S307 PolarHBondContact OE2-OG 3.2Å; E150-K308 WeakPolarHBondContact O-CD 3.27Å; E150-K308 WeakPolarHBondContact O-CE 3.29Å; E150-K308 PolarHBondContact O-NZ 3.33Å; E150-K308 PolarHBondContact OE2-N 3Å |
| 151 | E | 82.4 | Confident | 81.5 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 34% | 0.341 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 155.7 | 169.1 | -64.7 | -162.2 | 147.7 | 0 | 0 | 111.1 | V147 Y148 N149 F153 | V147-E151 WeakPolarHBondContact CA-O 3.49Å; Y148-E151 PolarHBondContact N-O 3.49Å; Y148-E151 WeakPolarHBondContact O-CA 3.32Å; Y148-E151 WeakPolarHBondContact O-CB 3.15Å; Y148-E151 PolarHBondContact O-N 3.2Å; N149-E151 PolarHBondContact O-N 2.9Å; N149-E151 VanDerWaalsContact O-N 3.12Å; E151-F153 HydrophobicContact CB-CE2 3.64Å; E151-F153 HydrophobicContact CB-CZ 3.77Å |
| 152 | L | 85.8 | Confident | 79.8 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128 | -173.3 | -64.6 | 179.7 | 0 | 0 | 0 | 109.7 | L145 E146 V147 L165 I167 V179 K308 L312 | L145-L152 HydrophobicContact CD1-CB 4.32Å; L145-L152 HydrophobicContact CD2-CD2 4.38Å; E146-L152 WeakPolarHBondContact O-CA 3.49Å; V147-L152 HydrophobicContact CB-CD2 4.27Å; V147-L152 HydrophobicContact CG1-CD2 4.06Å; V147-L152 HydrophobicContact CG2-CD2 3.63Å; L152-L165 HydrophobicContact CB-CB 3.72Å; L152-L165 HydrophobicContact CB-CD1 4.06Å; L152-L165 HydrophobicContact CB-CG 4.45Å; L152-L165 HydrophobicContact CD1-CB 4.29Å; L152-I167 HydrophobicContact CD1-CD1 3.59Å; L152-I167 HydrophobicContact CD1-CG1 3.52Å; L152-V179 HydrophobicContact CD1-CG1 4.47Å; L152-K308 HydrophobicContact CD1-CD 4.32Å; L152-K308 HydrophobicContact CD2-CB 4.37Å; L152-K308 HydrophobicContact CD2-CD 4.46Å; L152-K308 HydrophobicContact CG-CD 4.02Å; L152-L312 HydrophobicContact CD2-CD1 3.81Å |
| 153 | F | 85.3 | Confident | 78.3 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132.6 | -177.5 | -58.7 | -83.6 | 0 | 0 | 0 | 111 | E146 E151 V162 L211 | E146-F153 HydrophobicContact CB-CB 4.33Å; E146-F153 PolarHBondContact N-O 2.86Å; E146-F153 PolarHBondContact O-N 3.48Å; E151-F153 HydrophobicContact CB-CE2 3.64Å; E151-F153 HydrophobicContact CB-CZ 3.77Å; F153-V162 HydrophobicContact CD1-CG1 4Å; F153-V162 HydrophobicContact CE1-CG1 3.73Å; F153-L211 HydrophobicContact CZ-CD1 4.16Å |
| 154 | D | 87.8 | Confident | 77.2 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.3 | 171.4 | -173.5 | -9.4 | 0 | 0 | 0 | 109.6 | L156 S157 L165 L182 R183 R203 | D154-L156 VanDerWaalsContact C-N 3.29Å; D154-L156 WeakPolarHBondContact OD1-CA 3.34Å; D154-L156 PolarHBondContact OD1-N 3.37Å; D154-S157 PolarHBondContact OD1-N 3.5Å; D154-L165 HydrophobicContact CB-CD1 4.09Å; D154-L182 HydrophobicContact CB-CD1 4.26Å; D154-R183 WeakPolarHBondContact OD2-CB 3.33Å; D154-R183 PolarHBondContact OD2-N 3.29Å; D154-R203 PolarHBondContact O-NE 2.84Å |
| 155 | L | 86 | Confident | 76.6 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6.2 | 178.8 | -64.1 | -178.1 | 0 | 0 | 0 | 113.1 | F144 E146 G200 R203 R204 | F144-L155 HydrophobicContact CB-CB 4.06Å; F144-L155 HydrophobicContact CD1-CB 3.95Å; F144-L155 HydrophobicContact CD1-CD1 3.77Å; F144-L155 HydrophobicContact CD2-CD1 3.84Å; F144-L155 HydrophobicContact CE1-CD1 3.74Å; F144-L155 HydrophobicContact CE2-CD1 3.86Å; F144-L155 HydrophobicContact CG-CB 3.99Å; F144-L155 HydrophobicContact CG-CD1 3.8Å; F144-L155 HydrophobicContact CG-CG 4.46Å; F144-L155 HydrophobicContact CZ-CD1 3.79Å; F144-L155 WeakPolarHBondContact O-CB 3.37Å; F144-L155 PolarHBondContact O-N 2.98Å; E146-L155 HydrophobicContact CB-CD1 3.98Å; E146-L155 HydrophobicContact CB-CD2 4.05Å; E146-L155 HydrophobicContact CB-CG 3.95Å; L155-G200 WeakPolarHBondContact O-CA 3.47Å; L155-R203 HydrophobicContact CD2-CB 4.48Å; L155-R203 WeakPolarHBondContact O-CD 3.34Å; L155-R204 HydrophobicContact CD1-CB 4.4Å; L155-R204 HydrophobicContact CD2-CB 4.01Å |
| 156 | L | 85.8 | Confident | 76.2 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 3.4 | 179.2 | -56.4 | -178 | 0 | 0 | 0 | 114.2 | V142 F144 D154 R183 V185 V196 | V142-L156 HydrophobicContact CG2-CD1 4.39Å; F144-L156 HydrophobicContact CB-CD1 3.96Å; F144-L156 HydrophobicContact CB-CD2 4.21Å; F144-L156 HydrophobicContact CB-CG 3.77Å; D154-L156 VanDerWaalsContact C-N 3.29Å; D154-L156 WeakPolarHBondContact OD1-CA 3.34Å; D154-L156 PolarHBondContact OD1-N 3.37Å; L156-R183 WeakPolarHBondContact O-CD 3.34Å; L156-R183 PolarHBondContact O-NH1 2.93Å; L156-V185 HydrophobicContact CB-CG2 4.12Å; L156-V185 HydrophobicContact CD1-CB 4.43Å; L156-V185 HydrophobicContact CD1-CG2 3.99Å; L156-V196 HydrophobicContact CD1-CG1 3.65Å; L156-V196 HydrophobicContact CD2-CG1 3.59Å; L156-V196 HydrophobicContact CG-CG1 4.29Å |
| 157 | S | 79.8 | Confident | 76 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | trans | -58.8 | 149.5 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | D154 T159 R203 | D154-S157 PolarHBondContact OD1-N 3.5Å; S157-T159 PolarHBondContact OG-N 2.68Å; S157-T159 PolarHBondContact OG-OG1 2.85Å; S157-R203 VanDerWaalsContact C-NH1 3.3Å; S157-R203 PolarHBondContact O-NH1 3.29Å | ||
| 158 | A | 68.2 | Low | 75.7 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -88.8 | -25.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 159 | T | 62.9 | Low | 75.5 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -91.3 | 146.4 | -173.8 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | S157 D161 R203 | S157-T159 PolarHBondContact OG-N 2.68Å; S157-T159 PolarHBondContact OG-OG1 2.85Å; T159-D161 PolarHBondContact O-N 2.86Å; T159-R203 PolarHBondContact O-NH1 2.8Å; T159-R203 PolarHBondContact O-NH2 2.76Å |
| 160 | E | 57.6 | Low | 75.1 | Confident | 186 Ų | 186 | 63.2 Ų | 63.2 | 87% | 0.869 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -71.3 | -17.3 | 172.1 | -65.5 | -174.7 | 172.1 | 0 | 0 | 111.9 | V162 | E160-V162 PolarHBondContact O-N 2.79Š|
| 161 | D | 55.1 | Low | 74.4 | Confident | 115 Ų | 115 | 68.4 Ų | 68.4 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -61.2 | 112.8 | 174.8 | -68.9 | -32.3 | 0 | 0 | 0 | 110.6 | T159 T163 | T159-D161 PolarHBondContact O-N 2.86Å; D161-T163 HydrophobicContact CB-CG2 4.34Å; D161-T163 PolarHBondContact O-N 2.79Å |
| 162 | V | 57.2 | Low | 73.4 | Confident | 94 Ų | 94 | 72.1 Ų | 72.1 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | trans | -69.2 | 68.1 | 169 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | F153 E160 R164 | F153-V162 HydrophobicContact CD1-CG1 4Å; F153-V162 HydrophobicContact CE1-CG1 3.73Å; E160-V162 PolarHBondContact O-N 2.79Å; V162-R164 PolarHBondContact O-N 2.76Å; V162-R164 VanDerWaalsContact O-N 3.11Å | ||
| 163 | T | 60 | Low | 72.4 | Confident | 86 Ų | 86 | 77.1 Ų | 77.1 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | trans | -61.5 | 115.6 | 171.2 | 43.9 | 0 | 0 | 0 | 0 | 107.7 | D161 L165 | D161-T163 HydrophobicContact CB-CG2 4.34Å; D161-T163 PolarHBondContact O-N 2.79Å; T163-L165 PolarHBondContact O-N 2.73Å | ||
| 164 | R | 68.2 | Low | 71.3 | Confident | 208 Ų | 208 | 85.1 Ų | 85.1 | 79% | 0.785 | 44% | 0.437 | S | S | * | . | trans | -65 | 109.9 | -178.6 | -68.9 | -179.6 | 175.8 | 177.1 | -1.6 | 109.3 | V162 | V162-R164 PolarHBondContact O-N 2.76Å; V162-R164 VanDerWaalsContact O-N 3.11Å | ||
| 165 | L | 79.9 | Confident | 70.1 | Confident | 10 Ų | 10 | 85.9 Ų | 85.9 | 5% | 0.052 | 45% | 0.448 | C | S | . | . | trans | -67 | 135.6 | 175.3 | -62.2 | 174.9 | 0 | 0 | 0 | 109.8 | L145 L152 D154 T163 V179 K180 G181 L182 | L145-L165 HydrophobicContact CD1-CD1 3.38Å; L152-L165 HydrophobicContact CB-CB 3.72Å; L152-L165 HydrophobicContact CB-CD1 4.06Å; L152-L165 HydrophobicContact CB-CG 4.45Å; L152-L165 HydrophobicContact CD1-CB 4.29Å; D154-L165 HydrophobicContact CB-CD1 4.09Å; T163-L165 PolarHBondContact O-N 2.73Å; L165-V179 HydrophobicContact CB-CG1 4.01Å; L165-V179 HydrophobicContact CD1-CG1 4.3Å; L165-V179 HydrophobicContact CD2-CG1 4.48Å; L165-K180 WeakPolarHBondContact CD2-O 3.29Å; L165-G181 WeakPolarHBondContact CD2-O 3.31Å; L165-L182 HydrophobicContact CD1-CD1 4.46Å | ||
| 166 | T | 81.7 | Confident | 69.3 | Low | 59 Ų | 59 | 87.3 Ų | 87.3 | 36% | 0.362 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.2 | -178.8 | 43.4 | 0 | 0 | 0 | 0 | 110.9 | Y168 K180 | T166-Y168 VanDerWaalsContact OG1-CE2 3.25Å; T166-Y168 WeakPolarHBondContact OG1-CE2 3.34Å; T166-Y168 PolarHBondContact OG1-OH 2.84Å; T166-K180 PolarHBondContact O-N 2.88Å |
| 167 | I | 84.3 | Confident | 69 | Low | 22 Ų | 22 | 88.3 Ų | 88.3 | 11% | 0.113 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.9 | 179.5 | -73.5 | 169.4 | 0 | 0 | 0 | 109.5 | L152 V177 V179 K308 L312 | L152-I167 HydrophobicContact CD1-CD1 3.59Å; L152-I167 HydrophobicContact CD1-CG1 3.52Å; I167-V177 HydrophobicContact CB-CG1 4.42Å; I167-V177 HydrophobicContact CG1-CG1 4.47Å; I167-V177 HydrophobicContact CG2-CG1 3.31Å; I167-V179 HydrophobicContact CG1-CG2 4.44Å; I167-K308 HydrophobicContact CD1-CB 3.83Å; I167-K308 HydrophobicContact CD1-CD 4.4Å; I167-K308 HydrophobicContact CD1-CG 4.13Å; I167-L312 HydrophobicContact CD1-CD1 4.42Å; I167-L312 HydrophobicContact CD1-CD2 4.01Å; I167-L312 HydrophobicContact CD1-CG 3.93Å; I167-L312 HydrophobicContact CG1-CD2 4.17Å |
| 168 | Y | 81.3 | Confident | 69.1 | Low | 114 Ų | 114 | 91.3 Ų | 91.3 | 45% | 0.447 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 146.4 | 171.4 | -62.5 | -87.9 | 0 | 0 | 0 | 110.9 | T166 I178 K180 | T166-Y168 VanDerWaalsContact OG1-CE2 3.25Å; T166-Y168 WeakPolarHBondContact OG1-CE2 3.34Å; T166-Y168 PolarHBondContact OG1-OH 2.84Å; Y168-I178 PolarHBondContact N-O 2.77Å; Y168-I178 PolarHBondContact O-N 2.83Å; Y168-K180 HydrophobicContact CD2-CB 3.87Å; Y168-K180 HydrophobicContact CE2-CB 3.57Å; Y168-K180 HydrophobicContact CE2-CD 3.74Å; Y168-K180 HydrophobicContact CE2-CG 4.3Å |
| 169 | D | 76.8 | Confident | 69.9 | Low | 69 Ų | 69 | 88.9 Ų | 88.9 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 131.8 | 171.7 | -59.9 | -13.7 | 0 | 0 | 0 | 107.7 | V171 R305 R311 | D169-V171 PolarHBondContact O-N 2.82Å; D169-R305 IonicContact OD2-CZ 2.76Å; D169-R305 IonicContact OD2-NH2 2.82Å; D169-R305 PolarHBondContact OD2-NH2 3.42Å; D169-R311 IonicContact OD1-CZ 3.73Å; D169-R311 IonicContact OD1-NH2 2.85Å; D169-R311 PolarHBondContact OD1-NH2 3.27Å |
| 170 | D | 69.5 | Low | 70.7 | Confident | 29 Ų | 29 | 91.8 Ų | 91.8 | 16% | 0.155 | 46% | 0.461 | C | S | . | . | trans | -71.1 | 115.9 | 178.9 | -172.7 | -14.7 | 0 | 0 | 0 | 110 | N172 R173 S176 I178 | D170-N172 VanDerWaalsContact C-N 3.25Å; D170-N172 PolarHBondContact O-N 2.8Å; D170-N172 PolarHBondContact OD1-N 3.08Å; D170-R173 HydrophobicContact CB-CB 4.31Å; D170-R173 CarbonylContact O-C 3.59Å; D170-R173 PolarHBondContact O-N 2.77Å; D170-R173 PolarHBondContact OD1-N 3.31Å; D170-S176 VanDerWaalsContact CB-O 3.3Å; D170-S176 WeakPolarHBondContact CB-O 3.4Å; D170-S176 PolarHBondContact N-O 2.87Å; D170-I178 HydrophobicContact CB-CD1 3.89Å; D170-I178 HydrophobicContact CB-CG1 4.11Å | ||
| 171 | V | 65.7 | Low | 71.7 | Confident | 139 Ų | 139 | 85.6 Ų | 85.6 | 84% | 0.842 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -64.2 | -33.8 | -178.8 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | D169 | D169-V171 PolarHBondContact O-N 2.82Š|
| 172 | N | 62.5 | Low | 73.1 | Confident | 151 Ų | 151 | 82 Ų | 82 | 81% | 0.807 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -82.2 | -23.1 | -176.4 | -65.8 | -21.5 | 0 | 0 | 0 | 111.9 | D170 | D170-N172 VanDerWaalsContact C-N 3.25Å; D170-N172 PolarHBondContact O-N 2.8Å; D170-N172 PolarHBondContact OD1-N 3.08Å |
| 173 | R | 64.6 | Low | 74.4 | Confident | 114 Ų | 114 | 82.8 Ų | 82.8 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -132.9 | 92.1 | -176 | -62.1 | -178.5 | -176.1 | -161.8 | 1.5 | 110.8 | D170 G175 S176 | D170-R173 HydrophobicContact CB-CB 4.31Å; D170-R173 CarbonylContact O-C 3.59Å; D170-R173 PolarHBondContact O-N 2.77Å; D170-R173 PolarHBondContact OD1-N 3.31Å; R173-G175 PolarHBondContact O-N 3.14Å; R173-G175 VanDerWaalsContact O-N 3.14Å; R173-S176 WeakPolarHBondContact O-CB 3.34Å; R173-S176 PolarHBondContact O-N 2.87Å |
| 174 | K | 61.8 | Low | 75.8 | Confident | 193 Ų | 193 | 82.6 Ų | 82.6 | 84% | 0.839 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 121.9 | 173.1 | -73.3 | -172.7 | 177.3 | -178.2 | 0 | 110.9 | ||
| 175 | G | 63.2 | Low | 76.7 | Confident | 30 Ų | 30 | 73.8 Ų | 73.8 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -9.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R173 | R173-G175 PolarHBondContact O-N 3.14Å; R173-G175 VanDerWaalsContact O-N 3.14Å |
| 176 | S | 68.7 | Low | 77.2 | Confident | 33 Ų | 33 | 77 Ų | 77 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | trans | -89.8 | 144.5 | 173.1 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | D170 R173 | D170-S176 VanDerWaalsContact CB-O 3.3Å; D170-S176 WeakPolarHBondContact CB-O 3.4Å; D170-S176 PolarHBondContact N-O 2.87Å; R173-S176 WeakPolarHBondContact O-CB 3.34Å; R173-S176 PolarHBondContact O-N 2.87Å | ||
| 177 | V | 80.4 | Confident | 77.5 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.3 | -175.3 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | I167 R311 L312 | I167-V177 HydrophobicContact CB-CG1 4.42Å; I167-V177 HydrophobicContact CG1-CG1 4.47Å; I167-V177 HydrophobicContact CG2-CG1 3.31Å; V177-R311 VanDerWaalsContact CG2-O 3.3Å; V177-R311 WeakPolarHBondContact CG2-O 3.48Å; V177-L312 HydrophobicContact CG1-CD2 4.18Å |
| 178 | I | 80.8 | Confident | 77.4 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 45% | 0.446 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.1 | 178.6 | -58 | 170.8 | 0 | 0 | 0 | 109.3 | Y168 D170 | Y168-I178 PolarHBondContact N-O 2.77Å; Y168-I178 PolarHBondContact O-N 2.83Å; D170-I178 HydrophobicContact CB-CD1 3.89Å; D170-I178 HydrophobicContact CB-CG1 4.11Å |
| 179 | V | 84.7 | Confident | 77.1 | Confident | 26 Ų | 26 | 77.7 Ų | 77.7 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 111 | 175.9 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | L152 L165 I167 L182 L312 | L152-V179 HydrophobicContact CD1-CG1 4.47Å; L165-V179 HydrophobicContact CB-CG1 4.01Å; L165-V179 HydrophobicContact CD1-CG1 4.3Å; L165-V179 HydrophobicContact CD2-CG1 4.48Å; I167-V179 HydrophobicContact CG1-CG2 4.44Å; V179-L182 HydrophobicContact CB-CB 4.2Å; V179-L182 HydrophobicContact CB-CD2 4.39Å; V179-L182 HydrophobicContact CG1-CB 4.03Å; V179-L312 HydrophobicContact CG2-CD2 3.36Å |
| 180 | K | 79.9 | Confident | 76.9 | Confident | 133 Ų | 133 | 77.8 Ų | 77.8 | 58% | 0.578 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.9 | 177.8 | -173.7 | -179.9 | 178.5 | 180 | 0 | 110.1 | L165 T166 Y168 | L165-K180 WeakPolarHBondContact CD2-O 3.29Å; T166-K180 PolarHBondContact O-N 2.88Å; Y168-K180 HydrophobicContact CD2-CB 3.87Å; Y168-K180 HydrophobicContact CE2-CB 3.57Å; Y168-K180 HydrophobicContact CE2-CD 3.74Å; Y168-K180 HydrophobicContact CE2-CG 4.3Å |
| 181 | G | 79.6 | Confident | 77.2 | Confident | 55 Ų | 55 | 82 Ų | 82 | 57% | 0.567 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -1.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L165 R183 | L165-G181 WeakPolarHBondContact CD2-O 3.31Å; G181-R183 PolarHBondContact O-N 3.05Å |
| 182 | L | 83.9 | Confident | 77.9 | Confident | 41 Ų | 41 | 77.9 Ų | 77.9 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 123.5 | 176.2 | -177.2 | 62.2 | 0 | 0 | 0 | 110 | L145 D154 L165 V179 | L145-L182 HydrophobicContact CB-CD1 4.26Å; L145-L182 HydrophobicContact CD1-CD1 3.96Å; D154-L182 HydrophobicContact CB-CD1 4.26Å; L165-L182 HydrophobicContact CD1-CD1 4.46Å; V179-L182 HydrophobicContact CB-CB 4.2Å; V179-L182 HydrophobicContact CB-CD2 4.39Å; V179-L182 HydrophobicContact CG1-CB 4.03Å |
| 183 | R | 85.2 | Confident | 78.5 | Confident | 109 Ų | 109 | 70.7 Ų | 70.7 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -81 | 131.2 | 178.5 | -169.5 | -176.7 | -176.5 | -173 | 7.1 | 111.3 | D154 L156 G181 V185 | D154-R183 WeakPolarHBondContact OD2-CB 3.33Å; D154-R183 PolarHBondContact OD2-N 3.29Å; L156-R183 WeakPolarHBondContact O-CD 3.34Å; L156-R183 PolarHBondContact O-NH1 2.93Å; G181-R183 PolarHBondContact O-N 3.05Å; R183-V185 HydrophobicContact CG-CG2 4.46Å |
| 184 | E | 88.2 | Confident | 79.2 | Confident | 82 Ų | 82 | 68 Ų | 68 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -103.4 | 124.6 | 169.4 | -65 | 179.3 | 175.6 | 0 | 0 | 109.4 | R141 | R141-E184 HydrophobicContact CB-CB 4.47Å; R141-E184 IonicContact CZ-OE2 2.8Å; R141-E184 VanDerWaalsContact CZ-OE2 3.3Å; R141-E184 IonicContact NE-OE2 3.31Å; R141-E184 IonicContact NH1-OE2 3.16Å; R141-E184 PolarHBondContact NH1-OE2 2.98Å |
| 185 | V | 89 | Confident | 80.1 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | R141 V142 L156 R183 V196 | R141-V185 CarbonylContact C-O 3.55Å; R141-V185 WeakPolarHBondContact CA-O 3.44Å; V142-V185 HydrophobicContact CG2-CB 4.37Å; V142-V185 PolarHBondContact N-O 3.03Å; V142-V185 PolarHBondContact O-N 3.39Å; L156-V185 HydrophobicContact CB-CG2 4.12Å; L156-V185 HydrophobicContact CD1-CB 4.43Å; L156-V185 HydrophobicContact CD1-CG2 3.99Å; R183-V185 HydrophobicContact CG-CG2 4.46Å; V185-V196 HydrophobicContact CG1-CG2 4.25Å |
| 186 | V | 89.1 | Confident | 81.1 | Confident | 78 Ų | 78 | 59.4 Ų | 59.4 | 47% | 0.473 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132.7 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | R141 L188 | R141-V186 HydrophobicContact CG-CG2 4.07Å; V186-L188 HydrophobicContact CG1-CD2 4.05Å |
| 187 | V | 87.2 | Confident | 81.7 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.9 | 179 | -179 | 0 | 0 | 0 | 0 | 107.6 | F128 V140 V142 D189 D192 V193 V196 | F128-V187 HydrophobicContact CE2-CG1 3.83Å; F128-V187 HydrophobicContact CZ-CB 4.11Å; F128-V187 HydrophobicContact CZ-CG1 3.72Å; F128-V187 WeakPolarHBondContact CZ-O 3.32Å; V140-V187 PolarHBondContact O-N 3.28Å; V142-V187 HydrophobicContact CB-CG2 4.24Å; V142-V187 HydrophobicContact CG1-CG2 3.81Å; V142-V187 HydrophobicContact CG2-CG2 3.4Å; V142-V187 VanDerWaalsContact CG2-CG2 3.4Å; V187-D189 WeakPolarHBondContact CG1-O 3.29Å; V187-D192 HydrophobicContact CB-CB 4.5Å; V187-D192 HydrophobicContact CG1-CB 3.66Å; V187-V193 HydrophobicContact CG1-CG2 3.59Å; V187-V196 HydrophobicContact CG2-CG2 4.33Å |
| 188 | L | 82.4 | Confident | 81.8 | Confident | 136 Ų | 136 | 61.2 Ų | 61.2 | 71% | 0.712 | 32% | 0.319 | S | S | * | . | trans | -100.2 | -37 | -175.2 | -60.6 | 175.8 | 0 | 0 | 0 | 112.1 | V186 D192 | V186-L188 HydrophobicContact CG1-CD2 4.05Å; L188-D192 PolarHBondContact N-OD2 3.18Å | ||
| 189 | D | 75.7 | Confident | 81.9 | Confident | 71 Ų | 71 | 63 Ų | 63 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -131 | 178.7 | -177.5 | 71.8 | 22.6 | 0 | 0 | 0 | 113.1 | V187 D191 D192 | V187-D189 WeakPolarHBondContact CG1-O 3.29Å; D189-D191 VanDerWaalsContact C-N 3.28Å; D189-D191 PolarHBondContact O-N 3.29Å; D189-D191 WeakPolarHBondContact OD1-CA 3.44Å; D189-D191 WeakPolarHBondContact OD1-CB 3.44Å; D189-D191 PolarHBondContact OD1-N 2.87Å; D189-D192 WeakPolarHBondContact OD1-CB 3.22Å; D189-D192 PolarHBondContact OD1-N 3.24Å |
| 190 | K | 72.2 | Confident | 81.8 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.5 | -19.6 | 177.8 | -64.7 | 178.8 | 179.6 | 175.7 | 0 | 113 | E129 V193 Y194 | E129-K190 IonicContact OE1-NZ 3.4Å; E129-K190 PolarHBondContact OE1-NZ 3.37Å; K190-V193 WeakPolarHBondContact O-CB 3.46Å; K190-Y194 VanDerWaalsContact O-CD2 3.27Å; K190-Y194 WeakPolarHBondContact O-CD2 3.43Å |
| 191 | D | 76.2 | Confident | 81.7 | Confident | 118 Ų | 118 | 58.3 Ų | 58.3 | 63% | 0.631 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -84.5 | -37.6 | -178.5 | -74.4 | -36.7 | 0 | 0 | 0 | 111.5 | D189 V193 Y194 S195 | D189-D191 VanDerWaalsContact C-N 3.28Å; D189-D191 PolarHBondContact O-N 3.29Å; D189-D191 WeakPolarHBondContact OD1-CA 3.44Å; D189-D191 WeakPolarHBondContact OD1-CB 3.44Å; D189-D191 PolarHBondContact OD1-N 2.87Å; D191-V193 PolarHBondContact O-N 3.44Å; D191-Y194 PolarHBondContact O-N 3.37Å; D191-Y194 VanDerWaalsContact O-N 3.1Å; D191-S195 PolarHBondContact O-N 2.99Å |
| 192 | D | 80.4 | Confident | 81.5 | Confident | 51 Ų | 51 | 58 Ų | 58 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -52 | -40.8 | 168.7 | -79.3 | -20.8 | 0 | 0 | 0 | 110.2 | V187 L188 D189 Y194 S195 V196 | V187-D192 HydrophobicContact CB-CB 4.5Å; V187-D192 HydrophobicContact CG1-CB 3.66Å; L188-D192 PolarHBondContact N-OD2 3.18Å; D189-D192 WeakPolarHBondContact OD1-CB 3.22Å; D189-D192 PolarHBondContact OD1-N 3.24Å; D192-Y194 PolarHBondContact O-N 3.35Å; D192-S195 WeakPolarHBondContact O-CB 3.26Å; D192-S195 PolarHBondContact O-N 2.96Å; D192-S195 PolarHBondContact O-OG 2.81Å; D192-V196 VanDerWaalsContact O-CG2 3.27Å; D192-V196 WeakPolarHBondContact O-CG2 3.43Å; D192-V196 PolarHBondContact O-N 2.74Å |
| 193 | V | 75 | Confident | 81.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.5 | -53.9 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | L124 F128 V187 K190 D191 S195 V196 I197 | L124-V193 HydrophobicContact CB-CB 4.46Å; L124-V193 HydrophobicContact CB-CG1 3.9Å; L124-V193 HydrophobicContact CB-CG2 3.72Å; L124-V193 HydrophobicContact CD1-CB 4.1Å; L124-V193 HydrophobicContact CD1-CG1 3.22Å; L124-V193 HydrophobicContact CD1-CG2 3.87Å; L124-V193 HydrophobicContact CG-CG1 4.17Å; L124-V193 HydrophobicContact CG-CG2 4.25Å; F128-V193 HydrophobicContact CD2-CG2 4.49Å; F128-V193 HydrophobicContact CE2-CG2 3.91Å; V187-V193 HydrophobicContact CG1-CG2 3.59Å; K190-V193 WeakPolarHBondContact O-CB 3.46Å; D191-V193 PolarHBondContact O-N 3.44Å; V193-S195 VanDerWaalsContact C-N 3.3Å; V193-S195 PolarHBondContact O-N 2.62Å; V193-V196 PolarHBondContact O-N 2.91Å; V193-I197 HydrophobicContact CG1-CD1 3.7Å; V193-I197 VanDerWaalsContact O-CG1 3.31Å; V193-I197 WeakPolarHBondContact O-CG1 3.48Å; V193-I197 PolarHBondContact O-N 3.4Å |
| 194 | Y | 78.8 | Confident | 80.6 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 179.9 | -72.4 | -74 | 0 | 0 | 0 | 110.8 | P121 K190 D191 D192 V196 I197 E198 | P121-Y194 HydrophobicContact CB-CE1 3.95Å; K190-Y194 VanDerWaalsContact O-CD2 3.27Å; K190-Y194 WeakPolarHBondContact O-CD2 3.43Å; D191-Y194 PolarHBondContact O-N 3.37Å; D191-Y194 VanDerWaalsContact O-N 3.1Å; D192-Y194 PolarHBondContact O-N 3.35Å; Y194-V196 VanDerWaalsContact C-N 3.3Å; Y194-V196 PolarHBondContact O-N 2.83Å; Y194-I197 PolarHBondContact O-N 2.92Å; Y194-E198 WeakPolarHBondContact O-CB 3.41Å; Y194-E198 VanDerWaalsContact O-CG 3.3Å; Y194-E198 WeakPolarHBondContact O-CG 3.09Å; Y194-E198 PolarHBondContact O-N 2.95Å |
| 195 | S | 82.2 | Confident | 79.3 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 177.2 | 88.5 | 0 | 0 | 0 | 0 | 112.5 | D191 D192 V193 R199 | D191-S195 PolarHBondContact O-N 2.99Å; D192-S195 WeakPolarHBondContact O-CB 3.26Å; D192-S195 PolarHBondContact O-N 2.96Å; D192-S195 PolarHBondContact O-OG 2.81Å; V193-S195 VanDerWaalsContact C-N 3.3Å; V193-S195 PolarHBondContact O-N 2.62Å; S195-R199 WeakPolarHBondContact O-CB 3.44Å; S195-R199 VanDerWaalsContact O-CG 3.23Å; S195-R199 WeakPolarHBondContact O-CG 3.3Å; S195-R199 PolarHBondContact O-N 2.84Å; S195-R199 PolarHBondContact O-NE 3.02Å; S195-R199 PolarHBondContact OG-NH2 3.35Å |
| 196 | V | 84 | Confident | 77.7 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.2 | -45.7 | 179.2 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | V142 L156 V185 V187 D192 V193 Y194 R199 G200 F231 | V142-V196 HydrophobicContact CG2-CG1 3.71Å; V142-V196 HydrophobicContact CG2-CG2 4.37Å; L156-V196 HydrophobicContact CD1-CG1 3.65Å; L156-V196 HydrophobicContact CD2-CG1 3.59Å; L156-V196 HydrophobicContact CG-CG1 4.29Å; V185-V196 HydrophobicContact CG1-CG2 4.25Å; V187-V196 HydrophobicContact CG2-CG2 4.33Å; D192-V196 VanDerWaalsContact O-CG2 3.27Å; D192-V196 WeakPolarHBondContact O-CG2 3.43Å; D192-V196 PolarHBondContact O-N 2.74Å; V193-V196 PolarHBondContact O-N 2.91Å; Y194-V196 VanDerWaalsContact C-N 3.3Å; Y194-V196 PolarHBondContact O-N 2.83Å; V196-R199 VanDerWaalsContact CG2-NH2 3.33Å; V196-R199 PolarHBondContact O-N 3.37Å; V196-G200 PolarHBondContact O-N 3.07Å; V196-F231 HydrophobicContact CG1-CE2 4.33Å |
| 197 | I | 81.6 | Confident | 76 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 177.7 | -66.2 | 167.2 | 0 | 0 | 0 | 110 | T100 I120 V193 Y194 G200 I201 F231 | T100-I197 HydrophobicContact CG2-CG2 4.26Å; I120-I197 HydrophobicContact CG2-CD1 3.67Å; I120-I197 HydrophobicContact CG2-CG1 4.22Å; V193-I197 HydrophobicContact CG1-CD1 3.7Å; V193-I197 VanDerWaalsContact O-CG1 3.31Å; V193-I197 WeakPolarHBondContact O-CG1 3.48Å; V193-I197 PolarHBondContact O-N 3.4Å; Y194-I197 PolarHBondContact O-N 2.92Å; I197-G200 PolarHBondContact O-N 2.93Å; I197-I201 HydrophobicContact CG2-CD1 3.61Å; I197-I201 HydrophobicContact CG2-CG1 4.3Å; I197-I201 WeakPolarHBondContact O-CB 3.43Å; I197-I201 VanDerWaalsContact O-CG1 3.25Å; I197-I201 WeakPolarHBondContact O-CG1 3.31Å; I197-I201 PolarHBondContact O-N 3.19Å; I197-F231 HydrophobicContact CG1-CE2 4.44Å |
| 198 | E | 81.5 | Confident | 74.3 | Confident | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 178.8 | -74.1 | -173.2 | 134.7 | 0 | 0 | 112.5 | R103 Y194 G200 I201 A202 | R103-E198 IonicContact CZ-OE1 3.89Å; R103-E198 IonicContact CZ-OE2 3.55Å; R103-E198 IonicContact NH1-OE1 3.83Å; R103-E198 PolarHBondContact NH1-OE1 3.05Å; R103-E198 IonicContact NH1-OE2 2.87Å; R103-E198 PolarHBondContact NH1-OE2 3.16Å; Y194-E198 WeakPolarHBondContact O-CB 3.41Å; Y194-E198 VanDerWaalsContact O-CG 3.3Å; Y194-E198 WeakPolarHBondContact O-CG 3.09Å; Y194-E198 PolarHBondContact O-N 2.95Å; E198-G200 VanDerWaalsContact C-N 3.3Å; E198-G200 PolarHBondContact O-N 2.72Å; E198-I201 PolarHBondContact O-N 2.81Å; E198-A202 VanDerWaalsContact O-CB 3.23Å; E198-A202 WeakPolarHBondContact O-CB 3.3Å; E198-A202 PolarHBondContact O-N 3.47Å |
| 199 | R | 83.4 | Confident | 72.6 | Confident | 124 Ų | 124 | 54.4 Ų | 54.4 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 173.1 | -79.3 | -176.3 | -67.4 | 172.5 | -5.3 | 111.5 | S195 V196 A202 R203 | S195-R199 WeakPolarHBondContact O-CB 3.44Å; S195-R199 VanDerWaalsContact O-CG 3.23Å; S195-R199 WeakPolarHBondContact O-CG 3.3Å; S195-R199 PolarHBondContact O-N 2.84Å; S195-R199 PolarHBondContact O-NE 3.02Å; S195-R199 PolarHBondContact OG-NH2 3.35Å; V196-R199 VanDerWaalsContact CG2-NH2 3.33Å; V196-R199 PolarHBondContact O-N 3.37Å; R199-A202 PolarHBondContact O-N 3.45Å; R199-R203 WeakPolarHBondContact O-CB 3.45Å; R199-R203 PolarHBondContact O-N 3.31Å |
| 200 | G | 81.5 | Confident | 71.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L155 V196 I197 E198 R203 R204 | L155-G200 WeakPolarHBondContact O-CA 3.47Å; V196-G200 PolarHBondContact O-N 3.07Å; I197-G200 PolarHBondContact O-N 2.93Å; E198-G200 VanDerWaalsContact C-N 3.3Å; E198-G200 PolarHBondContact O-N 2.72Å; G200-R203 PolarHBondContact O-N 2.86Å; G200-R204 WeakPolarHBondContact O-CB 3.09Å; G200-R204 PolarHBondContact O-N 3.15Å |
| 201 | I | 77.5 | Confident | 70 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.3 | -67.1 | 166.8 | 0 | 0 | 0 | 110.2 | T100 I197 E198 R203 R204 Q205 | T100-I201 HydrophobicContact CG2-CD1 3.92Å; I197-I201 HydrophobicContact CG2-CD1 3.61Å; I197-I201 HydrophobicContact CG2-CG1 4.3Å; I197-I201 WeakPolarHBondContact O-CB 3.43Å; I197-I201 VanDerWaalsContact O-CG1 3.25Å; I197-I201 WeakPolarHBondContact O-CG1 3.31Å; I197-I201 PolarHBondContact O-N 3.19Å; E198-I201 PolarHBondContact O-N 2.81Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 3.03Å; I201-R204 VanDerWaalsContact O-CB 3.29Å; I201-R204 WeakPolarHBondContact O-CB 3.11Å; I201-R204 PolarHBondContact O-N 2.82Å; I201-Q205 WeakPolarHBondContact O-CG 3.3Å; I201-Q205 PolarHBondContact O-N 3.27Å; I201-Q205 VanDerWaalsContact O-N 3.1Å |
| 202 | A | 76.7 | Confident | 68.3 | Low | 49 Ų | 49 | 54 Ų | 54 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E198 R199 R204 Q205 T206 | E198-A202 VanDerWaalsContact O-CB 3.23Å; E198-A202 WeakPolarHBondContact O-CB 3.3Å; E198-A202 PolarHBondContact O-N 3.47Å; R199-A202 PolarHBondContact O-N 3.45Å; A202-R204 VanDerWaalsContact C-N 3.32Å; A202-R204 PolarHBondContact O-N 2.89Å; A202-Q205 WeakPolarHBondContact O-CA 3.2Å; A202-Q205 WeakPolarHBondContact O-CB 3.46Å; A202-Q205 PolarHBondContact O-N 3.09Å; A202-T206 PolarHBondContact O-N 2.97Å; A202-T206 VanDerWaalsContact O-N 3.08Å |
| 203 | R | 76.1 | Confident | 66.5 | Low | 61 Ų | 61 | 55.7 Ų | 55.7 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.6 | -33.5 | 176.7 | -168.7 | 160.8 | 170.5 | 124.5 | 11.8 | 112.4 | D154 L155 S157 T159 R199 G200 I201 Q205 T206 A207 | D154-R203 PolarHBondContact O-NE 2.84Å; L155-R203 HydrophobicContact CD2-CB 4.48Å; L155-R203 WeakPolarHBondContact O-CD 3.34Å; S157-R203 VanDerWaalsContact C-NH1 3.3Å; S157-R203 PolarHBondContact O-NH1 3.29Å; T159-R203 PolarHBondContact O-NH1 2.8Å; T159-R203 PolarHBondContact O-NH2 2.76Å; R199-R203 WeakPolarHBondContact O-CB 3.45Å; R199-R203 PolarHBondContact O-N 3.31Å; G200-R203 PolarHBondContact O-N 2.86Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 3.03Å; R203-Q205 VanDerWaalsContact C-N 3.26Å; R203-Q205 PolarHBondContact O-N 3.5Å; R203-T206 WeakPolarHBondContact CA-OG1 3.38Å; R203-T206 PolarHBondContact O-N 3.33Å; R203-T206 PolarHBondContact O-OG1 2.82Å; R203-T206 VanDerWaalsContact O-OG1 3.04Å; R203-A207 WeakPolarHBondContact O-CB 3.42Å; R203-A207 PolarHBondContact O-N 2.91Å |
| 204 | R | 73.3 | Confident | 65 | Low | 32 Ų | 32 | 64.6 Ų | 64.6 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -35.5 | 169.9 | -170 | 170.5 | -174.2 | -163.4 | -4.4 | 111.8 | E146 L155 G200 I201 A202 C208 S224 S227 S229 | E146-R204 WeakPolarHBondContact OE1-CG 3.37Å; E146-R204 IonicContact OE1-CZ 3.94Å; E146-R204 IonicContact OE1-NE 2.78Å; E146-R204 PolarHBondContact OE1-NE 3.46Å; L155-R204 HydrophobicContact CD1-CB 4.4Å; L155-R204 HydrophobicContact CD2-CB 4.01Å; G200-R204 WeakPolarHBondContact O-CB 3.09Å; G200-R204 PolarHBondContact O-N 3.15Å; I201-R204 VanDerWaalsContact O-CB 3.29Å; I201-R204 WeakPolarHBondContact O-CB 3.11Å; I201-R204 PolarHBondContact O-N 2.82Å; A202-R204 VanDerWaalsContact C-N 3.32Å; A202-R204 PolarHBondContact O-N 2.89Å; R204-C208 PolarHBondContact O-N 3.27Å; R204-S224 PolarHBondContact NH2-O 2.98Å; R204-S227 PolarHBondContact NE-OG 3.21Å; R204-S227 PolarHBondContact NH2-O 3.36Å; R204-S227 PolarHBondContact NH2-OG 2.78Å; R204-S229 PolarHBondContact NH1-OG 2.95Å |
| 205 | Q | 61.4 | Low | 63 | Low | 88 Ų | 88 | 66 Ų | 66 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.7 | -41.3 | 175.3 | -43.4 | -166.8 | -29.8 | 0 | 0 | 112.5 | I201 A202 R203 C208 T209 L220 | I201-Q205 WeakPolarHBondContact O-CG 3.3Å; I201-Q205 PolarHBondContact O-N 3.27Å; I201-Q205 VanDerWaalsContact O-N 3.1Å; A202-Q205 WeakPolarHBondContact O-CA 3.2Å; A202-Q205 WeakPolarHBondContact O-CB 3.46Å; A202-Q205 PolarHBondContact O-N 3.09Å; R203-Q205 VanDerWaalsContact C-N 3.26Å; R203-Q205 PolarHBondContact O-N 3.5Å; Q205-C208 WeakPolarHBondContact O-CB 3.3Å; Q205-C208 PolarHBondContact O-N 3.45Å; Q205-T209 PolarHBondContact O-N 3.23Å; Q205-T209 PolarHBondContact O-OG1 2.95Å; Q205-L220 HydrophobicContact CB-CD1 3.67Å; Q205-L220 HydrophobicContact CG-CD1 3.61Å |
| 206 | T | 56.2 | Low | 60.8 | Low | 78 Ų | 78 | 70 Ų | 70 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.3 | -36.9 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | A202 R203 C208 T209 L210 | A202-T206 PolarHBondContact O-N 2.97Å; A202-T206 VanDerWaalsContact O-N 3.08Å; R203-T206 WeakPolarHBondContact CA-OG1 3.38Å; R203-T206 PolarHBondContact O-N 3.33Å; R203-T206 PolarHBondContact O-OG1 2.82Å; R203-T206 VanDerWaalsContact O-OG1 3.04Å; T206-C208 PolarHBondContact O-N 2.86Å; T206-T209 PolarHBondContact O-N 3.41Å; T206-L210 PolarHBondContact O-N 3.36Å |
| 207 | A | 52.6 | Low | 58.2 | Low | 22 Ų | 22 | 76 Ų | 76 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R203 T209 L210 L211 | R203-A207 WeakPolarHBondContact O-CB 3.42Å; R203-A207 PolarHBondContact O-N 2.91Å; A207-T209 PolarHBondContact O-N 2.96Å; A207-L210 PolarHBondContact O-N 3.08Å; A207-L211 PolarHBondContact O-N 3.07Å; A207-L211 VanDerWaalsContact O-N 3.16Å |
| 208 | C | 51.9 | Low | 56.1 | Low | 13 Ų | 13 | 77.3 Ų | 77.3 | 9% | 0.088 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 171.7 | 167.4 | 0 | 0 | 0 | 0 | 112.3 | R204 Q205 T206 N212 T223 | R204-C208 PolarHBondContact O-N 3.27Å; Q205-C208 WeakPolarHBondContact O-CB 3.3Å; Q205-C208 PolarHBondContact O-N 3.45Å; T206-C208 PolarHBondContact O-N 2.86Å; C208-N212 VanDerWaalsContact O-CB 3.26Å; C208-N212 WeakPolarHBondContact O-CB 3.34Å; C208-N212 VanDerWaalsContact O-CG 3.26Å; C208-N212 PolarHBondContact O-N 3.03Å; C208-N212 VanDerWaalsContact O-N 3.16Å; C208-N212 PolarHBondContact O-ND2 3.47Å; C208-N212 PolarHBondContact SG-ND2 2.94Å; C208-T223 HydrophobicContact CB-CG2 4.05Å; C208-T223 WeakPolarHBondContact SG-CG2 3.4Å; C208-T223 PolarHBondContact SG-OG1 2.93Å |
| 209 | T | 46.2 | Very low | 54.1 | Low | 102 Ų | 102 | 79.1 Ų | 79.1 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.8 | -42.5 | 179.4 | -50.5 | 0 | 0 | 0 | 0 | 112.4 | Q205 T206 A207 A213 | Q205-T209 PolarHBondContact O-N 3.23Å; Q205-T209 PolarHBondContact O-OG1 2.95Å; T206-T209 PolarHBondContact O-N 3.41Å; A207-T209 PolarHBondContact O-N 2.96Å; T209-A213 PolarHBondContact O-N 3.33Å |
| 210 | L | 47.3 | Very low | 52.2 | Low | 133 Ų | 133 | 77.6 Ų | 77.6 | 70% | 0.696 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | -178.6 | -87.2 | 154.8 | 0 | 0 | 0 | 112.5 | T206 A207 A213 | T206-L210 PolarHBondContact O-N 3.36Å; A207-L210 PolarHBondContact O-N 3.08Å; L210-A213 WeakPolarHBondContact O-CB 3.38Å |
| 211 | L | 45.5 | Very low | 50.5 | Low | 87 Ų | 87 | 85 Ų | 85 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.5 | -32.3 | 179.3 | -70.6 | 170.8 | 0 | 0 | 0 | 112.8 | Y148 F153 A207 A213 | Y148-L211 HydrophobicContact CD1-CD1 4.03Å; Y148-L211 HydrophobicContact CE1-CD1 4.12Å; F153-L211 HydrophobicContact CZ-CD1 4.16Å; A207-L211 PolarHBondContact O-N 3.07Å; A207-L211 VanDerWaalsContact O-N 3.16Å; L211-A213 PolarHBondContact O-N 3.26Å |
| 212 | N | 40.7 | Very low | 49 | Very low | 31 Ų | 31 | 86 Ų | 86 | 17% | 0.166 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -79.7 | 2.9 | 176.7 | -69 | -43.9 | 0 | 0 | 0 | 113.8 | C208 Q214 S215 C218 | C208-N212 VanDerWaalsContact O-CB 3.26Å; C208-N212 WeakPolarHBondContact O-CB 3.34Å; C208-N212 VanDerWaalsContact O-CG 3.26Å; C208-N212 PolarHBondContact O-N 3.03Å; C208-N212 VanDerWaalsContact O-N 3.16Å; C208-N212 PolarHBondContact O-ND2 3.47Å; C208-N212 PolarHBondContact SG-ND2 2.94Å; N212-Q214 PolarHBondContact O-N 3.42Å; N212-S215 CarbonylContact O-C 3.55Å; N212-S215 PolarHBondContact O-N 2.9Å; N212-C218 HydrophobicContact CB-CB 4.41Å; N212-C218 WeakPolarHBondContact ND2-CB 3.44Å |
| 213 | A | 42.6 | Very low | 47.7 | Very low | 87 Ų | 87 | 84.2 Ų | 84.2 | 72% | 0.719 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -58.1 | -17.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T209 L210 L211 | T209-A213 PolarHBondContact O-N 3.33Å; L210-A213 WeakPolarHBondContact O-CB 3.38Å; L211-A213 PolarHBondContact O-N 3.26Å |
| 214 | Q | 44.6 | Very low | 47 | Very low | 187 Ų | 187 | 83.3 Ų | 83.3 | 87% | 0.874 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -90.1 | -2.3 | 172 | -65.7 | -167 | -14.7 | 0 | 0 | 115.1 | N212 | N212-Q214 PolarHBondContact O-N 3.42Š|
| 215 | S | 36 | Very low | 46.6 | Very low | 87 Ų | 87 | 82.7 Ų | 82.7 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -151.1 | 102.5 | 169.6 | -91.2 | 0 | 0 | 0 | 0 | 110 | N212 T217 | N212-S215 CarbonylContact O-C 3.55Å; N212-S215 PolarHBondContact O-N 2.9Å; S215-T217 PolarHBondContact O-N 2.85Å |
| 216 | S | 35.6 | Very low | 47 | Very low | 123 Ų | 123 | 81.9 Ų | 81.9 | 86% | 0.86 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -67.1 | 28.3 | -169.6 | 53 | 0 | 0 | 0 | 0 | 116.2 | ||
| 217 | T | 31.1 | Very low | 48.2 | Very low | 128 Ų | 128 | 78.3 Ų | 78.3 | 79% | 0.785 | 45% | 0.447 | S | S | * | . | trans | -153.1 | 79.6 | 175.9 | -31.7 | 0 | 0 | 0 | 0 | 111.8 | S215 | S215-T217 PolarHBondContact O-N 2.85Š| ||
| 218 | C | 37.4 | Very low | 49.8 | Very low | 41 Ų | 41 | 77.4 Ų | 77.4 | 28% | 0.277 | 44% | 0.439 | S | S | . | . | trans | -137.6 | 106.2 | 166.1 | -157.2 | 0 | 0 | 0 | 0 | 110.5 | N212 | N212-C218 HydrophobicContact CB-CB 4.41Å; N212-C218 WeakPolarHBondContact ND2-CB 3.44Å | ||
| 219 | N | 38.6 | Very low | 51.6 | Low | 128 Ų | 128 | 77 Ų | 77 | 68% | 0.684 | 44% | 0.437 | S | S | * | . | trans | -65.2 | 140.9 | 175.3 | -85.7 | -46.2 | 0 | 0 | 0 | 110.7 | F221 L222 | N219-F221 PolarHBondContact O-N 2.91Å; N219-L222 PolarHBondContact O-N 2.84Å | ||
| 220 | L | 43.2 | Very low | 53.7 | Low | 92 Ų | 92 | 72.6 Ų | 72.6 | 48% | 0.482 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -39.1 | -27.3 | 176.5 | -175 | 66.7 | 0 | 0 | 0 | 116.2 | Q205 | Q205-L220 HydrophobicContact CB-CD1 3.67Å; Q205-L220 HydrophobicContact CG-CD1 3.61Å |
| 221 | F | 45.6 | Very low | 55.9 | Low | 156 Ų | 156 | 66.4 Ų | 66.4 | 68% | 0.684 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -75.3 | -29.1 | 179.4 | -158.1 | -94.3 | 0 | 0 | 0 | 113.5 | N219 | N219-F221 PolarHBondContact O-N 2.91Å |
| 222 | L | 47.2 | Very low | 58.1 | Low | 80 Ų | 80 | 62.9 Ų | 62.9 | 42% | 0.419 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -78.7 | -36.4 | -173.8 | -68.3 | 174.1 | 0 | 0 | 0 | 112.8 | N219 S225 R226 | N219-L222 PolarHBondContact O-N 2.84Å; L222-S225 PolarHBondContact O-OG 3.35Å; L222-R226 WeakPolarHBondContact O-CD 3.25Å; L222-R226 WeakPolarHBondContact O-CG 3.22Å |
| 223 | T | 49.4 | Very low | 60.5 | Low | 13 Ų | 13 | 61.4 Ų | 61.4 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -74.1 | -41.6 | -180 | 35 | 0 | 0 | 0 | 0 | 112.8 | C208 S225 R226 S227 | C208-T223 HydrophobicContact CB-CG2 4.05Å; C208-T223 WeakPolarHBondContact SG-CG2 3.4Å; C208-T223 PolarHBondContact SG-OG1 2.93Å; T223-S225 PolarHBondContact O-N 3.3Å; T223-S225 VanDerWaalsContact O-N 3.16Å; T223-R226 PolarHBondContact O-N 2.93Å; T223-S227 PolarHBondContact O-N 2.89Å; T223-S227 PolarHBondContact O-OG 3.49Å |
| 224 | S | 60.1 | Low | 62.9 | Low | 41 Ų | 41 | 57.5 Ų | 57.5 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.5 | -31.7 | 175.4 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | R204 R226 | R204-S224 PolarHBondContact NH2-O 2.98Å; S224-R226 VanDerWaalsContact C-N 3.29Å; S224-R226 PolarHBondContact O-N 2.82Å |
| 225 | S | 64.8 | Low | 65 | Low | 20 Ų | 20 | 48.7 Ų | 48.7 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17.7 | 176.6 | 74.9 | 0 | 0 | 0 | 0 | 114.8 | T91 L222 T223 A260 G261 | T91-S225 WeakPolarHBondContact OG1-CB 3.28Å; L222-S225 PolarHBondContact O-OG 3.35Å; T223-S225 PolarHBondContact O-N 3.3Å; T223-S225 VanDerWaalsContact O-N 3.16Å; S225-A260 WeakPolarHBondContact O-CB 3.27Å; S225-G261 PolarHBondContact O-N 3.12Å |
| 226 | R | 71.6 | Confident | 67.5 | Low | 71 Ų | 71 | 45.5 Ų | 45.5 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -7.7 | -171.4 | -69.3 | 172.1 | 170.4 | -164.5 | 2.5 | 114 | Y148 L222 T223 S224 E277 I281 | Y148-R226 HydrophobicContact CE2-CB 4.12Å; L222-R226 WeakPolarHBondContact O-CD 3.25Å; L222-R226 WeakPolarHBondContact O-CG 3.22Å; T223-R226 PolarHBondContact O-N 2.93Å; S224-R226 VanDerWaalsContact C-N 3.29Å; S224-R226 PolarHBondContact O-N 2.82Å; R226-E277 IonicContact NH1-OE1 3.24Å; R226-E277 PolarHBondContact NH1-OE1 2.8Å; R226-I281 HydrophobicContact CB-CD1 4.38Å; R226-I281 HydrophobicContact CB-CG2 4Å; R226-I281 HydrophobicContact CG-CD1 4.26Å; R226-I281 HydrophobicContact CG-CG2 4.18Å |
| 227 | S | 80.7 | Confident | 69.9 | Low | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -111.9 | 146.7 | 177.4 | 61.5 | 0 | 0 | 0 | 0 | 112 | E146 V147 R204 T223 | E146-S227 WeakPolarHBondContact OE1-CB 3.49Å; E146-S227 PolarHBondContact OE1-OG 2.8Å; V147-S227 WeakPolarHBondContact O-CA 3.48Å; R204-S227 PolarHBondContact NE-OG 3.21Å; R204-S227 PolarHBondContact NH2-O 3.36Å; R204-S227 PolarHBondContact NH2-OG 2.78Å; T223-S227 PolarHBondContact O-N 2.89Å; T223-S227 PolarHBondContact O-OG 3.49Å |
| 228 | H | 86.4 | Confident | 72.4 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 142.7 | 173.6 | -49.8 | -81.9 | 0 | 0 | 0 | 109.5 | E146 V147 D258 L259 A260 S284 L309 | E146-H228 CarbonylContact C-O 3.54Å; E146-H228 WeakPolarHBondContact CA-O 3.37Å; V147-H228 HydrophobicContact CB-CB 4.2Å; V147-H228 PolarHBondContact N-O 3Å; V147-H228 PolarHBondContact O-N 3.46Å; H228-D258 CarbonylContact C-O 3.59Å; H228-D258 WeakPolarHBondContact CA-O 3.47Å; H228-L259 HydrophobicContact CB-CD2 4.45Å; H228-L259 WeakPolarHBondContact ND1-CA 3.08Å; H228-L259 WeakPolarHBondContact ND1-CD2 3.46Å; H228-A260 WeakPolarHBondContact CE1-CB 3.5Å; H228-A260 PolarHBondContact CE1-N 2.89Å; H228-A260 VanDerWaalsContact CE1-N 3.32Å; H228-A260 PolarHBondContact ND1-N 3.25Å; H228-S284 PolarHBondContact NE2-OG 3.36Å; H228-L309 HydrophobicContact CB-CD1 4.17Å |
| 229 | S | 88.5 | Confident | 74.2 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.3 | 179.7 | -68.4 | 0 | 0 | 0 | 0 | 110.2 | R204 V257 D258 | R204-S229 PolarHBondContact NH1-OG 2.95Å; S229-V257 CarbonylContact O-C 3.51Å; S229-V257 WeakPolarHBondContact O-CA 3.46Å; S229-D258 PolarHBondContact N-O 2.74Å; S229-D258 PolarHBondContact O-N 3.27Å |
| 230 | I | 91.8 | Very high | 75.8 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.046 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 107.2 | -179.6 | -57.8 | 175.3 | 0 | 0 | 0 | 107.8 | L145 V147 V257 L309 L312 L313 | L145-I230 HydrophobicContact CB-CB 4.43Å; L145-I230 HydrophobicContact CD2-CD1 4.46Å; L145-I230 PolarHBondContact N-O 2.84Å; L145-I230 PolarHBondContact O-N 2.86Å; V147-I230 HydrophobicContact CG2-CD1 4.48Å; I230-V257 HydrophobicContact CG1-CG1 4.07Å; I230-V257 HydrophobicContact CG1-CG2 4.18Å; I230-V257 HydrophobicContact CG2-CG2 4.26Å; I230-L309 HydrophobicContact CD1-CD1 4.24Å; I230-L312 HydrophobicContact CD1-CB 4.31Å; I230-L312 HydrophobicContact CD1-CD1 4.02Å; I230-L313 HydrophobicContact CD1-CD2 4.47Å |
| 231 | F | 92.2 | Very high | 77 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 114 | 172.6 | -171.7 | -91.3 | 0 | 0 | 0 | 108.9 | I120 L124 V142 F144 V196 I197 V233 L256 | I120-F231 HydrophobicContact CD1-CB 4.33Å; I120-F231 HydrophobicContact CG2-CD1 3.88Å; I120-F231 HydrophobicContact CG2-CE1 3.84Å; I120-F231 HydrophobicContact CG2-CG 4.33Å; I120-F231 HydrophobicContact CG2-CZ 4.28Å; L124-F231 HydrophobicContact CD1-CE1 3.84Å; L124-F231 HydrophobicContact CD1-CZ 3.95Å; V142-F231 HydrophobicContact CB-CE1 4.35Å; V142-F231 HydrophobicContact CB-CE2 4.36Å; V142-F231 HydrophobicContact CB-CZ 3.79Å; V142-F231 HydrophobicContact CG1-CE1 4.2Å; V142-F231 HydrophobicContact CG1-CZ 3.91Å; V142-F231 HydrophobicContact CG2-CZ 4.31Å; F144-F231 HydrophobicContact CB-CD2 3.99Å; F144-F231 HydrophobicContact CB-CE2 4.44Å; F144-F231 HydrophobicContact CD1-CD2 4.12Å; F144-F231 HydrophobicContact CD2-CB 4.03Å; F144-F231 AromaticContact CD2-CD2 3.86Å; F144-F231 HydrophobicContact CD2-CD2 3.86Å; F144-F231 HydrophobicContact CD2-CG 4.46Å; F144-F231 HydrophobicContact CE2-CB 4.15Å; F144-F231 HydrophobicContact CE2-CD2 4.31Å; F144-F231 AromaticContact CG-CD2 3.76Å; F144-F231 HydrophobicContact CG-CD2 3.76Å; F144-F231 HydrophobicContact CG-CE2 4.47Å; V196-F231 HydrophobicContact CG1-CE2 4.33Å; I197-F231 HydrophobicContact CG1-CE2 4.44Å; F231-V233 HydrophobicContact CD1-CG2 3.91Å; F231-V233 HydrophobicContact CE1-CG2 3.52Å; F231-L256 HydrophobicContact CB-CB 4.27Å; F231-L256 HydrophobicContact CD1-CD1 4.27Å; F231-L256 PolarHBondContact N-O 2.7Å; F231-L256 WeakPolarHBondContact O-CB 3.34Å; F231-L256 PolarHBondContact O-N 2.82Å |
| 232 | T | 92.5 | Very high | 77.9 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.3 | -177.7 | -58.3 | 0 | 0 | 0 | 0 | 110 | V142 S143 L254 H255 | V142-T232 CarbonylContact C-O 3.52Å; V142-T232 VanDerWaalsContact CA-O 3.28Å; V142-T232 WeakPolarHBondContact CA-O 3.33Å; S143-T232 PolarHBondContact N-O 2.88Å; S143-T232 PolarHBondContact O-N 2.78Å; S143-T232 WeakPolarHBondContact OG-CB 3.28Å; T232-L254 CarbonylContact C-O 3.55Å; T232-L254 WeakPolarHBondContact CA-O 3.28Å; T232-H255 WeakPolarHBondContact CG2-CE1 3.44Å; T232-H255 VanDerWaalsContact CG2-ND1 3.28Å; T232-H255 WeakPolarHBondContact CG2-ND1 3.11Å; T232-H255 PolarHBondContact OG1-ND1 2.61Å |
| 233 | V | 91.7 | Very high | 78.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.8 | 172.6 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | L124 L127 V140 R141 V142 F231 V235 K253 L254 | L124-V233 HydrophobicContact CD2-CG1 3.93Å; L124-V233 HydrophobicContact CD2-CG2 3.79Å; L127-V233 HydrophobicContact CD2-CG1 3.85Å; V140-V233 HydrophobicContact CG1-CG1 3.73Å; R141-V233 CarbonylContact O-C 3.56Å; V142-V233 HydrophobicContact CG1-CG1 4.41Å; V142-V233 HydrophobicContact CG1-CG2 4.24Å; F231-V233 HydrophobicContact CD1-CG2 3.91Å; F231-V233 HydrophobicContact CE1-CG2 3.52Å; V233-V235 HydrophobicContact CG1-CG2 4.26Å; V233-K253 CarbonylContact O-C 3.47Å; V233-K253 WeakPolarHBondContact O-CA 3.44Å; V233-L254 HydrophobicContact CB-CB 4.37Å; V233-L254 PolarHBondContact N-O 2.77Å; V233-L254 PolarHBondContact O-N 3.47Å |
| 234 | T | 91 | Very high | 79.4 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.4 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 108.8 | R141 H236 I251 G252 K253 | R141-T234 PolarHBondContact N-O 3.14Å; R141-T234 PolarHBondContact O-N 2.66Å; T234-H236 VanDerWaalsContact CG2-NE2 3.29Å; T234-H236 WeakPolarHBondContact CG2-NE2 3.3Å; T234-I251 HydrophobicContact CG2-CG2 3.85Å; T234-G252 WeakPolarHBondContact CA-O 3.28Å; T234-K253 HydrophobicContact CG2-CG 3.98Å |
| 235 | V | 90.2 | Very high | 79.6 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.6 | -179.6 | -171.2 | 0 | 0 | 0 | 0 | 108.7 | I77 L127 L131 V233 I237 I251 G252 | I77-V235 HydrophobicContact CG2-CB 4.48Å; I77-V235 HydrophobicContact CG2-CG2 3.99Å; L127-V235 HydrophobicContact CD1-CG2 4.17Å; L127-V235 HydrophobicContact CD2-CG2 3.68Å; L127-V235 HydrophobicContact CG-CG2 4.38Å; L131-V235 HydrophobicContact CD1-CG1 3.77Å; L131-V235 HydrophobicContact CD2-CG1 4.13Å; V233-V235 HydrophobicContact CG1-CG2 4.26Å; V235-I237 HydrophobicContact CG1-CD1 4.22Å; V235-I237 HydrophobicContact CG1-CG1 3.78Å; V235-I251 CarbonylContact O-C 3.57Å; V235-I251 VanDerWaalsContact O-CA 3.32Å; V235-I251 WeakPolarHBondContact O-CA 3.4Å; V235-G252 PolarHBondContact N-O 3.01Å; V235-G252 PolarHBondContact O-N 3.26Å |
| 236 | H | 88 | Confident | 79.9 | Confident | 21 Ų | 21 | 45 Ų | 45 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.7 | 170.4 | -65.1 | -89.5 | 0 | 0 | 0 | 108.2 | F138 S139 R141 T234 L249 R250 | F138-H236 CarbonylContact C-O 3.43Å; F138-H236 WeakPolarHBondContact CA-O 3.42Å; S139-H236 PolarHBondContact N-O 2.84Å; S139-H236 PolarHBondContact O-N 3.42Å; R141-H236 PolarHBondContact NE-NE2 2.92Å; R141-H236 PolarHBondContact NH2-CE1 2.72Å; R141-H236 PolarHBondContact NH2-NE2 3.49Å; T234-H236 VanDerWaalsContact CG2-NE2 3.29Å; T234-H236 WeakPolarHBondContact CG2-NE2 3.3Å; H236-L249 HydrophobicContact CB-CD1 4.26Å; H236-R250 WeakPolarHBondContact CA-O 3.44Å |
| 237 | I | 86.5 | Confident | 79.9 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.062 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.5 | 177.2 | -52.5 | 177.2 | 0 | 0 | 0 | 107.1 | I78 L131 V235 R250 | I78-I237 HydrophobicContact CB-CD1 4.28Å; I78-I237 HydrophobicContact CG1-CD1 4.44Å; I78-I237 HydrophobicContact CG2-CD1 3.87Å; L131-I237 HydrophobicContact CD2-CD1 3.72Å; L131-I237 HydrophobicContact CD2-CG1 4.03Å; V235-I237 HydrophobicContact CG1-CD1 4.22Å; V235-I237 HydrophobicContact CG1-CG1 3.78Å; I237-R250 HydrophobicContact CB-CB 4.43Å; I237-R250 PolarHBondContact N-O 3.08Å; I237-R250 PolarHBondContact O-N 3.05Å |
| 238 | K | 82.4 | Confident | 79.6 | Confident | 68 Ų | 68 | 45.1 Ų | 45.1 | 30% | 0.296 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115.8 | 173.8 | -177.1 | -171.5 | -179.8 | -166.5 | 0 | 107.8 | D137 E247 | D137-K238 HydrophobicContact CB-CB 4.06Å; D137-K238 HydrophobicContact CB-CD 4.31Å; D137-K238 PolarHBondContact O-N 3.41Å; K238-E247 WeakPolarHBondContact CE-OE1 3.44Å; K238-E247 WeakPolarHBondContact CE-OE2 3.28Å; K238-E247 VanDerWaalsContact NZ-CD 3.32Å; K238-E247 IonicContact NZ-OE1 3.75Å; K238-E247 PolarHBondContact NZ-OE1 3.48Å; K238-E247 IonicContact NZ-OE2 3Å |
| 239 | E | 76.5 | Confident | 79.3 | Confident | 61 Ų | 61 | 47.3 Ų | 47.3 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.3 | -179.6 | -168.9 | 177.7 | -154.1 | 0 | 0 | 108.3 | L248 R250 | E239-L248 PolarHBondContact N-O 2.83Å; E239-L248 PolarHBondContact O-N 2.98Å; E239-R250 VanDerWaalsContact CD-NH2 3.3Å; E239-R250 IonicContact OE1-NH2 3.24Å; E239-R250 PolarHBondContact OE1-NH2 3.48Å; E239-R250 IonicContact OE2-CZ 3.51Å; E239-R250 IonicContact OE2-NE 3.81Å; E239-R250 IonicContact OE2-NH2 2.64Å; E239-R250 PolarHBondContact OE2-NH2 3.1Å |
| 240 | I | 72.2 | Confident | 79.1 | Confident | 114 Ų | 114 | 48.6 Ų | 48.6 | 59% | 0.585 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117 | 174.1 | -57.8 | 170.3 | 0 | 0 | 0 | 106.5 | A242 | I240-A242 PolarHBondContact O-N 2.83Å; I240-A242 VanDerWaalsContact O-N 3.13Å |
| 241 | N | 67.5 | Low | 78.9 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | trans | -67.7 | 114.4 | 178.3 | -159.8 | 1.3 | 0 | 0 | 0 | 108.8 | I243 T244 S245 E246 L248 | N241-I243 PolarHBondContact O-N 2.93Å; N241-T244 PolarHBondContact ND2-OG1 2.88Å; N241-T244 PolarHBondContact O-N 3.47Å; N241-S245 WeakPolarHBondContact O-CA 3.39Å; N241-S245 PolarHBondContact O-N 2.95Å; N241-E246 PolarHBondContact N-O 2.76Å; N241-L248 HydrophobicContact CB-CD1 3.85Å; N241-L248 HydrophobicContact CB-CG 4.18Å | ||
| 242 | A | 65.1 | Low | 78.7 | Confident | 98 Ų | 98 | 49.6 Ų | 49.6 | 81% | 0.81 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | I240 | I240-A242 PolarHBondContact O-N 2.83Å; I240-A242 VanDerWaalsContact O-N 3.13Å |
| 243 | I | 64 | Low | 78.6 | Confident | 154 Ų | 154 | 52.8 Ų | 52.8 | 79% | 0.79 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -43.3 | -175.9 | -56.3 | 171.6 | 0 | 0 | 0 | 111.8 | N241 | N241-I243 PolarHBondContact O-N 2.93Š|
| 244 | T | 64.5 | Low | 78.7 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -8.1 | -176.1 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | N241 E246 | N241-T244 PolarHBondContact ND2-OG1 2.88Å; N241-T244 PolarHBondContact O-N 3.47Å; T244-E246 PolarHBondContact O-N 2.71Å; T244-E246 VanDerWaalsContact O-N 3.09Å; T244-E246 WeakPolarHBondContact OG1-CB 3.38Å; T244-E246 WeakPolarHBondContact OG1-CG 3.28Å; T244-E246 PolarHBondContact OG1-OE2 3.06Å; T244-E246 VanDerWaalsContact OG1-OE2 3.08Å |
| 245 | S | 63.6 | Low | 78.8 | Confident | 100 Ų | 100 | 54.6 Ų | 54.6 | 70% | 0.699 | 30% | 0.295 | S | S | * | . | trans | 54.4 | 18 | -169.2 | -60 | 0 | 0 | 0 | 0 | 113.5 | N241 | N241-S245 WeakPolarHBondContact O-CA 3.39Å; N241-S245 PolarHBondContact O-N 2.95Å | ||
| 246 | E | 71.4 | Confident | 79 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 40% | 0.402 | 30% | 0.295 | S | S | . | . | trans | -84.6 | 138.9 | 179.1 | -67.9 | 174.8 | 146.9 | 0 | 0 | 110.9 | N241 T244 L248 | N241-E246 PolarHBondContact N-O 2.76Å; T244-E246 PolarHBondContact O-N 2.71Å; T244-E246 VanDerWaalsContact O-N 3.09Å; T244-E246 WeakPolarHBondContact OG1-CB 3.38Å; T244-E246 WeakPolarHBondContact OG1-CG 3.28Å; T244-E246 PolarHBondContact OG1-OE2 3.06Å; T244-E246 VanDerWaalsContact OG1-OE2 3.08Å; E246-L248 PolarHBondContact O-N 3.11Å | ||
| 247 | E | 71.7 | Confident | 79.2 | Confident | 66 Ų | 66 | 53.6 Ų | 53.6 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 108.4 | 173.6 | -60.2 | -177.6 | 152.4 | 0 | 0 | 109.4 | K238 K364 | K238-E247 WeakPolarHBondContact CE-OE1 3.44Å; K238-E247 WeakPolarHBondContact CE-OE2 3.28Å; K238-E247 VanDerWaalsContact NZ-CD 3.32Å; K238-E247 IonicContact NZ-OE1 3.75Å; K238-E247 PolarHBondContact NZ-OE1 3.48Å; K238-E247 IonicContact NZ-OE2 3Å; E247-K364 WeakPolarHBondContact OE2-CD 3.27Å; E247-K364 IonicContact OE2-NZ 3.99Å; E247-K364 PolarHBondContact OE2-NZ 2.86Å |
| 248 | L | 74.7 | Confident | 79.5 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.3 | 174 | -61.5 | -179.9 | 0 | 0 | 0 | 109.5 | E239 N241 E246 N363 | E239-L248 PolarHBondContact N-O 2.83Å; E239-L248 PolarHBondContact O-N 2.98Å; N241-L248 HydrophobicContact CB-CD1 3.85Å; N241-L248 HydrophobicContact CB-CG 4.18Å; E246-L248 PolarHBondContact O-N 3.11Å; L248-N363 WeakPolarHBondContact CD2-OD1 3.23Å |
| 249 | L | 80.3 | Confident | 79.8 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.9 | 172.4 | -167.6 | 74.2 | 0 | 0 | 0 | 109.6 | H236 I251 L362 | H236-L249 HydrophobicContact CB-CD1 4.26Å; L249-I251 HydrophobicContact CD2-CD1 4.33Å; L249-I251 HydrophobicContact CD2-CG1 4.42Å; L249-I251 HydrophobicContact CG-CG1 4.43Å; L249-L362 HydrophobicContact CB-CB 4.5Å; L249-L362 PolarHBondContact N-O 2.83Å; L249-L362 PolarHBondContact O-N 2.91Å |
| 250 | R | 83.9 | Confident | 80.2 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 137.3 | 172.7 | -168.3 | -173.1 | -61.2 | 178.6 | 0.7 | 109.4 | I78 H236 I237 E239 | I78-R250 WeakPolarHBondContact O-CD 3.46Å; I78-R250 PolarHBondContact O-NH1 3.36Å; H236-R250 WeakPolarHBondContact CA-O 3.44Å; I237-R250 HydrophobicContact CB-CB 4.43Å; I237-R250 PolarHBondContact N-O 3.08Å; I237-R250 PolarHBondContact O-N 3.05Å; E239-R250 VanDerWaalsContact CD-NH2 3.3Å; E239-R250 IonicContact OE1-NH2 3.24Å; E239-R250 PolarHBondContact OE1-NH2 3.48Å; E239-R250 IonicContact OE2-CZ 3.51Å; E239-R250 IonicContact OE2-NE 3.81Å; E239-R250 IonicContact OE2-NH2 2.64Å; E239-R250 PolarHBondContact OE2-NH2 3.1Å |
| 251 | I | 86.4 | Confident | 80.8 | Confident | 32 Ų | 32 | 42.5 Ų | 42.5 | 16% | 0.164 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.7 | -178.5 | -52.1 | 177.2 | 0 | 0 | 0 | 108.7 | T234 V235 L249 N359 L362 | T234-I251 HydrophobicContact CG2-CG2 3.85Å; V235-I251 CarbonylContact O-C 3.57Å; V235-I251 VanDerWaalsContact O-CA 3.32Å; V235-I251 WeakPolarHBondContact O-CA 3.4Å; L249-I251 HydrophobicContact CD2-CD1 4.33Å; L249-I251 HydrophobicContact CD2-CG1 4.42Å; L249-I251 HydrophobicContact CG-CG1 4.43Å; I251-N359 WeakPolarHBondContact O-CB 3.43Å; I251-N359 PolarHBondContact O-ND2 3.35Å; I251-L362 HydrophobicContact CD1-CD1 4.1Å |
| 252 | G | 88.8 | Confident | 81.4 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | T234 V235 | T234-G252 WeakPolarHBondContact CA-O 3.28Å; V235-G252 PolarHBondContact N-O 3.01Å; V235-G252 PolarHBondContact O-N 3.26Å |
| 253 | K | 91.3 | Very high | 81.9 | Confident | 80 Ų | 80 | 38.6 Ų | 38.6 | 35% | 0.348 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136.6 | 175.5 | -66.1 | -175.8 | 176.1 | -173.2 | 0 | 110.4 | N82 C83 V233 T234 | N82-K253 CarbonylContact C-O 3.51Å; N82-K253 WeakPolarHBondContact CA-O 3.2Å; N82-K253 WeakPolarHBondContact OD1-CB 2.83Å; C83-K253 PolarHBondContact N-O 3Å; V233-K253 CarbonylContact O-C 3.47Å; V233-K253 WeakPolarHBondContact O-CA 3.44Å; T234-K253 HydrophobicContact CG2-CG 3.98Å |
| 254 | L | 93.1 | Very high | 81.9 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 118 | 173.6 | 174.1 | 59.8 | 0 | 0 | 0 | 109.7 | I77 C83 I85 V123 T232 V233 L256 | I77-L254 HydrophobicContact CD1-CB 3.56Å; I77-L254 HydrophobicContact CD1-CD1 4Å; I77-L254 HydrophobicContact CD1-CD2 3.59Å; I77-L254 HydrophobicContact CD1-CG 3.89Å; I77-L254 HydrophobicContact CG1-CB 4.17Å; C83-L254 HydrophobicContact CB-CD1 3.8Å; C83-L254 CarbonylContact O-C 3.39Å; C83-L254 WeakPolarHBondContact O-CA 3.41Å; I85-L254 HydrophobicContact CD1-CD1 4.28Å; I85-L254 HydrophobicContact CG1-CD1 4.24Å; V123-L254 HydrophobicContact CB-CD2 4.5Å; V123-L254 HydrophobicContact CG1-CD2 3.41Å; V123-L254 VanDerWaalsContact CG1-CD2 3.41Å; V123-L254 HydrophobicContact CG2-CD2 4.23Å; T232-L254 CarbonylContact C-O 3.55Å; T232-L254 WeakPolarHBondContact CA-O 3.28Å; V233-L254 HydrophobicContact CB-CB 4.37Å; V233-L254 PolarHBondContact N-O 2.77Å; V233-L254 PolarHBondContact O-N 3.47Å; L254-L256 HydrophobicContact CD1-CD2 4Å; L254-L256 HydrophobicContact CD2-CD1 4.36Å; L254-L256 HydrophobicContact CD2-CD2 4.05Å; L254-L256 HydrophobicContact CD2-CG 4.2Å; L254-L256 HydrophobicContact CG-CD2 4.01Å; L254-L256 HydrophobicContact CG-CG 4.05Å |
| 255 | H | 93.7 | Very high | 81.6 | Confident | 43 Ų | 43 | 34 Ų | 34 | 20% | 0.199 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 118 | 173.4 | -57.7 | -66.8 | 0 | 0 | 0 | 109.7 | C83 T84 I85 T232 V257 | C83-H255 PolarHBondContact O-N 3.32Å; T84-H255 CarbonylContact C-O 3.48Å; T84-H255 VanDerWaalsContact CA-O 3.31Å; T84-H255 WeakPolarHBondContact CA-O 3.38Å; T84-H255 HydrophobicContact CG2-CB 4Å; I85-H255 PolarHBondContact N-O 2.77Å; T232-H255 WeakPolarHBondContact CG2-CE1 3.44Å; T232-H255 VanDerWaalsContact CG2-ND1 3.28Å; T232-H255 WeakPolarHBondContact CG2-ND1 3.11Å; T232-H255 PolarHBondContact OG1-ND1 2.61Å; H255-V257 HydrophobicContact CB-CG2 4.42Å |
| 256 | L | 93.5 | Very high | 81.2 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 107.3 | 175.8 | -64.1 | 178.4 | 0 | 0 | 0 | 108.1 | I85 M99 I119 I120 V123 F231 L254 | I85-L256 HydrophobicContact CB-CD2 3.97Å; I85-L256 HydrophobicContact CD1-CD2 3.78Å; I85-L256 HydrophobicContact CG1-CD2 4.12Å; M99-L256 HydrophobicContact CE-CB 3.58Å; M99-L256 HydrophobicContact CE-CD2 4.28Å; M99-L256 HydrophobicContact CE-CG 4.47Å; I119-L256 HydrophobicContact CG2-CD2 4.17Å; I120-L256 HydrophobicContact CB-CD1 4.2Å; I120-L256 HydrophobicContact CG1-CB 4.25Å; I120-L256 HydrophobicContact CG1-CD1 3.65Å; I120-L256 HydrophobicContact CG2-CD1 4.41Å; V123-L256 HydrophobicContact CB-CD1 4.36Å; V123-L256 HydrophobicContact CG1-CD1 4.31Å; V123-L256 HydrophobicContact CG2-CD1 4.24Å; F231-L256 HydrophobicContact CB-CB 4.27Å; F231-L256 HydrophobicContact CD1-CD1 4.27Å; F231-L256 PolarHBondContact N-O 2.7Å; F231-L256 WeakPolarHBondContact O-CB 3.34Å; F231-L256 PolarHBondContact O-N 2.82Å; L254-L256 HydrophobicContact CD1-CD2 4Å; L254-L256 HydrophobicContact CD2-CD1 4.36Å; L254-L256 HydrophobicContact CD2-CD2 4.05Å; L254-L256 HydrophobicContact CD2-CG 4.2Å; L254-L256 HydrophobicContact CG-CD2 4.01Å; L254-L256 HydrophobicContact CG-CG 4.05Å |
| 257 | V | 92.7 | Very high | 80.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.8 | -169.2 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | T84 I85 F86 A87 S229 I230 H255 L259 L313 | T84-V257 HydrophobicContact CG2-CG2 4.14Å; I85-V257 PolarHBondContact O-N 2.84Å; F86-V257 HydrophobicContact CD1-CB 3.7Å; F86-V257 HydrophobicContact CD1-CG1 3.87Å; F86-V257 HydrophobicContact CD1-CG2 4.1Å; F86-V257 HydrophobicContact CE1-CB 3.99Å; F86-V257 HydrophobicContact CE1-CG1 4.06Å; F86-V257 HydrophobicContact CE1-CG2 3.9Å; A87-V257 PolarHBondContact N-O 3.26Å; S229-V257 CarbonylContact O-C 3.51Å; S229-V257 WeakPolarHBondContact O-CA 3.46Å; I230-V257 HydrophobicContact CG1-CG1 4.07Å; I230-V257 HydrophobicContact CG1-CG2 4.18Å; I230-V257 HydrophobicContact CG2-CG2 4.26Å; H255-V257 HydrophobicContact CB-CG2 4.42Å; V257-L259 HydrophobicContact CG1-CD2 3.61Å; V257-L259 HydrophobicContact CG1-CG 4.02Å; V257-L313 HydrophobicContact CG2-CD2 4.04Å |
| 258 | D | 91.5 | Very high | 78.8 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 103.5 | 168.9 | -171.2 | 18.4 | 0 | 0 | 0 | 108.7 | K95 T96 M99 H228 S229 | K95-D258 VanDerWaalsContact CB-OD1 3.24Å; K95-D258 WeakPolarHBondContact CB-OD1 3.37Å; T96-D258 WeakPolarHBondContact CA-OD2 3.17Å; T96-D258 WeakPolarHBondContact CB-OD2 3.19Å; T96-D258 PolarHBondContact OG1-OD2 2.86Å; M99-D258 HydrophobicContact CB-CB 4.27Å; M99-D258 HydrophobicContact CG-CB 4.01Å; H228-D258 CarbonylContact C-O 3.59Å; H228-D258 WeakPolarHBondContact CA-O 3.47Å; S229-D258 PolarHBondContact N-O 2.74Å; S229-D258 PolarHBondContact O-N 3.27Å |
| 259 | L | 89.4 | Confident | 77.4 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -78 | 158.6 | -178.7 | -63.4 | 174.3 | 0 | 0 | 0 | 111.2 | F86 A87 Y88 K95 H228 V257 L285 L288 L309 | F86-L259 HydrophobicContact CD1-CD1 4.36Å; A87-L259 WeakPolarHBondContact O-CB 3.41Å; A87-L259 PolarHBondContact O-N 2.86Å; Y88-L259 HydrophobicContact CD2-CD1 3.78Å; Y88-L259 HydrophobicContact CG-CD1 4.43Å; K95-L259 WeakPolarHBondContact CD-O 3.36Å; K95-L259 WeakPolarHBondContact CE-O 3.44Å; H228-L259 HydrophobicContact CB-CD2 4.45Å; H228-L259 WeakPolarHBondContact ND1-CA 3.08Å; H228-L259 WeakPolarHBondContact ND1-CD2 3.46Å; V257-L259 HydrophobicContact CG1-CD2 3.61Å; V257-L259 HydrophobicContact CG1-CG 4.02Å; L259-L285 HydrophobicContact CB-CD2 4.42Å; L259-L285 HydrophobicContact CD1-CD2 4.42Å; L259-L288 HydrophobicContact CD1-CD2 4.08Å; L259-L309 HydrophobicContact CD2-CD1 4.18Å; L259-L309 HydrophobicContact CD2-CD2 3.86Å |
| 260 | A | 85.2 | Confident | 75.5 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -63 | 168.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K95 S225 H228 S262 L285 | K95-A260 WeakPolarHBondContact CE-O 3.38Å; S225-A260 WeakPolarHBondContact O-CB 3.27Å; H228-A260 WeakPolarHBondContact CE1-CB 3.5Å; H228-A260 PolarHBondContact CE1-N 2.89Å; H228-A260 VanDerWaalsContact CE1-N 3.32Å; H228-A260 PolarHBondContact ND1-N 3.25Å; A260-S262 PolarHBondContact O-N 3.45Å; A260-L285 HydrophobicContact CB-CD1 4.32Å |
| 261 | G | 83.8 | Confident | 73.5 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 131 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T91 S225 E263 L285 | T91-G261 WeakPolarHBondContact OG1-CA 3.41Å; S225-G261 PolarHBondContact O-N 3.12Å; G261-E263 VanDerWaalsContact C-N 3.28Å; G261-E263 VanDerWaalsContact C-OE2 3.25Å; G261-E263 WeakPolarHBondContact CA-OE2 3.43Å; G261-L285 WeakPolarHBondContact O-CD1 3.25Å |
| 262 | S | 80.3 | Confident | 71.8 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | trans | -81.8 | -2.4 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 114.7 | Y88 G89 Q90 A260 | Y88-S262 WeakPolarHBondContact OH-CB 3.5Å; G89-S262 PolarHBondContact O-N 2.8Å; G89-S262 VanDerWaalsContact O-N 3.16Å; G89-S262 PolarHBondContact O-OG 2.92Å; Q90-S262 PolarHBondContact N-OG 2.99Å; Q90-S262 VanDerWaalsContact N-OG 3.13Å; A260-S262 PolarHBondContact O-N 3.45Å | ||
| 263 | E | 77.1 | Confident | 70 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -72.1 | 146.6 | -177 | 66.7 | -80 | -173.6 | 0 | 0 | 113.6 | Q90 T91 G261 V265 E338 | Q90-E263 WeakPolarHBondContact CA-OE2 3.47Å; T91-E263 WeakPolarHBondContact CB-OE1 3.32Å; T91-E263 PolarHBondContact N-OE2 3.2Å; T91-E263 PolarHBondContact OG1-OE1 2.84Å; T91-E263 PolarHBondContact OG1-OE2 2.87Å; G261-E263 VanDerWaalsContact C-N 3.28Å; G261-E263 VanDerWaalsContact C-OE2 3.25Å; G261-E263 WeakPolarHBondContact CA-OE2 3.43Å; E263-V265 PolarHBondContact O-N 3.12Å; E263-E338 WeakPolarHBondContact CA-OE2 3.4Å; E263-E338 HydrophobicContact CB-CG 4.34Å |
| 264 | N | 64.1 | Low | 68.1 | Low | 98 Ų | 98 | 62 Ų | 62 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | trans | -79.7 | 116.4 | -178.8 | -81.2 | -29.9 | 0 | 0 | 0 | 112.2 | G266 | N264-G266 PolarHBondContact O-N 2.98Š| ||
| 265 | V | 58 | Low | 66.2 | Low | 27 Ų | 27 | 64.5 Ų | 64.5 | 16% | 0.164 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -66.1 | -18.3 | 179.5 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | E263 R267 S268 A278 N282 | E263-V265 PolarHBondContact O-N 3.12Å; V265-R267 PolarHBondContact O-N 3.39Å; V265-S268 WeakPolarHBondContact CG1-OG 3.44Å; V265-S268 WeakPolarHBondContact O-CB 3.43Å; V265-S268 PolarHBondContact O-N 3.17Å; V265-S268 PolarHBondContact O-OG 2.92Å; V265-A278 HydrophobicContact CB-CB 3.88Å; V265-A278 HydrophobicContact CG1-CB 3.41Å; V265-A278 VanDerWaalsContact CG1-CB 3.41Å; V265-N282 VanDerWaalsContact CG2-ND2 3.31Å; V265-N282 WeakPolarHBondContact CG2-ND2 3.27Å |
| 266 | G | 53.6 | Low | 64.5 | Low | 78 Ų | 78 | 72.5 Ų | 72.5 | 80% | 0.804 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -54.6 | -20.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | N264 S268 | N264-G266 PolarHBondContact O-N 2.98Å; G266-S268 VanDerWaalsContact C-N 3.33Å |
| 267 | R | 48.8 | Very low | 62.4 | Low | 169 Ų | 169 | 75.7 Ų | 75.7 | 64% | 0.638 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -77 | -12.8 | 174.1 | -73.6 | -173.6 | 165.3 | 135.3 | -2.9 | 114.9 | V265 G269 E337 | V265-R267 PolarHBondContact O-N 3.39Å; R267-G269 PolarHBondContact O-N 3.46Å; R267-E337 IonicContact CZ-OE1 3.77Å; R267-E337 IonicContact CZ-OE2 2.78Å; R267-E337 VanDerWaalsContact NH1-CD 3.35Å; R267-E337 IonicContact NH1-OE1 3.62Å; R267-E337 IonicContact NH1-OE2 2.67Å; R267-E337 PolarHBondContact NH1-OE2 3.27Å; R267-E337 IonicContact NH2-OE1 3.2Å; R267-E337 PolarHBondContact NH2-OE1 2.89Å; R267-E337 IonicContact NH2-OE2 2.85Å; R267-E337 PolarHBondContact NH2-OE2 3.4Å |
| 268 | S | 45.1 | Very low | 60.6 | Low | 74 Ų | 74 | 76.4 Ų | 76.4 | 52% | 0.517 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -78.1 | 3.1 | -175.4 | 63.5 | 0 | 0 | 0 | 0 | 114.9 | V265 G266 A270 | V265-S268 WeakPolarHBondContact CG1-OG 3.44Å; V265-S268 WeakPolarHBondContact O-CB 3.43Å; V265-S268 PolarHBondContact O-N 3.17Å; V265-S268 PolarHBondContact O-OG 2.92Å; G266-S268 VanDerWaalsContact C-N 3.33Å; S268-A270 PolarHBondContact O-N 3.03Å |
| 269 | G | 44.7 | Very low | 59.1 | Low | 70 Ų | 70 | 77.9 Ų | 77.9 | 72% | 0.722 | 43% | 0.427 | S | S | * | . | trans | 59.1 | 23 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R267 | R267-G269 PolarHBondContact O-N 3.46Š| ||
| 270 | A | 40.4 | Very low | 57.9 | Low | 22 Ų | 22 | 79.2 Ų | 79.2 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | trans | -86.1 | 120.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S268 R274 | S268-A270 PolarHBondContact O-N 3.03Å; A270-R274 HydrophobicContact CB-CB 3.53Å; A270-R274 HydrophobicContact CB-CG 4.39Å | ||
| 271 | V | 42.3 | Very low | 56.8 | Low | 118 Ų | 118 | 79.4 Ų | 79.4 | 72% | 0.715 | 44% | 0.438 | S | S | * | . | trans | -57.6 | 145.1 | -179.1 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | K273 R274 | V271-K273 PolarHBondContact O-N 3.38Å; V271-R274 PolarHBondContact O-N 2.71Å | ||
| 272 | E | 49.8 | Very low | 56 | Low | 168 Ų | 168 | 80 Ų | 80 | 79% | 0.785 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -7 | -58.5 | -175.2 | -71.4 | -177.7 | 155.9 | 0 | 0 | 119.2 | R274 A275 R276 | E272-R274 PolarHBondContact O-N 2.95Å; E272-A275 WeakPolarHBondContact O-CA 3.46Å; E272-A275 VanDerWaalsContact O-CB 3.31Å; E272-A275 WeakPolarHBondContact O-CB 3.44Å; E272-A275 PolarHBondContact O-N 3.13Å; E272-R276 PolarHBondContact O-N 3.44Å; E272-R276 VanDerWaalsContact O-N 3.15Å |
| 273 | K | 51.9 | Low | 56 | Low | 186 Ų | 186 | 83.2 Ų | 83.2 | 81% | 0.809 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | -179.3 | -82.4 | -174 | 178.1 | 177.3 | 0 | 112.6 | V271 A275 E277 | V271-K273 PolarHBondContact O-N 3.38Å; K273-A275 VanDerWaalsContact C-N 3.31Å; K273-E277 PolarHBondContact O-N 3.3Å |
| 274 | R | 52.3 | Low | 56.3 | Low | 162 Ų | 162 | 80.9 Ų | 80.9 | 61% | 0.611 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -73.6 | -22.8 | 172.4 | -85.9 | -167.4 | -104.6 | 149.5 | -9.5 | 112.3 | A270 V271 E272 A278 | A270-R274 HydrophobicContact CB-CB 3.53Å; A270-R274 HydrophobicContact CB-CG 4.39Å; V271-R274 PolarHBondContact O-N 2.71Å; E272-R274 PolarHBondContact O-N 2.95Å; R274-A278 WeakPolarHBondContact O-CB 3.16Å; R274-A278 PolarHBondContact O-N 2.9Å |
| 275 | A | 51.5 | Low | 57.3 | Low | 52 Ų | 52 | 76.9 Ų | 76.9 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.2 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E272 K273 A278 G279 | E272-A275 WeakPolarHBondContact O-CA 3.46Å; E272-A275 VanDerWaalsContact O-CB 3.31Å; E272-A275 WeakPolarHBondContact O-CB 3.44Å; E272-A275 PolarHBondContact O-N 3.13Å; K273-A275 VanDerWaalsContact C-N 3.31Å; A275-A278 PolarHBondContact O-N 3.37Å; A275-G279 PolarHBondContact O-N 3.41Å |
| 276 | R | 57.9 | Low | 58.5 | Low | 212 Ų | 212 | 80 Ų | 80 | 80% | 0.8 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.9 | -43.9 | 175.1 | -153 | 177.6 | -134.1 | 158.1 | 4.5 | 111.8 | E272 G279 S280 | E272-R276 PolarHBondContact O-N 3.44Å; E272-R276 VanDerWaalsContact O-N 3.15Å; R276-G279 PolarHBondContact O-N 2.9Å; R276-S280 PolarHBondContact O-N 3.47Å; R276-S280 PolarHBondContact O-OG 3.32Å |
| 277 | E | 49.3 | Very low | 60.1 | Low | 67 Ų | 67 | 76.5 Ų | 76.5 | 31% | 0.313 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 172.5 | -168.9 | -163.7 | 148.6 | 0 | 0 | 111.4 | R226 K273 G279 S280 I281 | R226-E277 IonicContact NH1-OE1 3.24Å; R226-E277 PolarHBondContact NH1-OE1 2.8Å; K273-E277 PolarHBondContact O-N 3.3Å; E277-G279 VanDerWaalsContact C-N 3.28Å; E277-G279 PolarHBondContact O-N 3.15Å; E277-S280 PolarHBondContact O-N 3.22Å; E277-I281 HydrophobicContact CG-CD1 4.02Å; E277-I281 WeakPolarHBondContact O-CD1 3.35Å; E277-I281 VanDerWaalsContact O-CG1 3.3Å; E277-I281 WeakPolarHBondContact O-CG1 3.33Å; E277-I281 PolarHBondContact O-N 3.4Å |
| 278 | A | 55 | Low | 62 | Low | 15 Ų | 15 | 68.5 Ų | 68.5 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V265 R274 A275 N282 | V265-A278 HydrophobicContact CB-CB 3.88Å; V265-A278 HydrophobicContact CG1-CB 3.41Å; V265-A278 VanDerWaalsContact CG1-CB 3.41Å; R274-A278 WeakPolarHBondContact O-CB 3.16Å; R274-A278 PolarHBondContact O-N 2.9Å; A275-A278 PolarHBondContact O-N 3.37Å; A278-N282 PolarHBondContact O-N 2.91Å; A278-N282 PolarHBondContact O-ND2 3.35Å |
| 279 | G | 59.8 | Low | 64.1 | Low | 40 Ų | 40 | 65.7 Ų | 65.7 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -49.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A275 R276 E277 N282 Q283 | A275-G279 PolarHBondContact O-N 3.41Å; R276-G279 PolarHBondContact O-N 2.9Å; E277-G279 VanDerWaalsContact C-N 3.28Å; E277-G279 PolarHBondContact O-N 3.15Å; G279-N282 PolarHBondContact O-N 3.49Å; G279-Q283 PolarHBondContact O-N 3.21Å |
| 280 | S | 64.5 | Low | 66.2 | Low | 34 Ų | 34 | 69.3 Ų | 69.3 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.4 | -36.5 | -179.6 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | N149 R276 E277 N282 Q283 | N149-S280 WeakPolarHBondContact OD1-CB 3.43Å; R276-S280 PolarHBondContact O-N 3.47Å; R276-S280 PolarHBondContact O-OG 3.32Å; E277-S280 PolarHBondContact O-N 3.22Å; S280-N282 PolarHBondContact O-N 2.91Å; S280-Q283 WeakPolarHBondContact O-CB 3.36Å; S280-Q283 PolarHBondContact O-N 3.01Å |
| 281 | I | 63 | Low | 68.6 | Low | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 176.1 | -69.4 | 160.9 | 0 | 0 | 0 | 110.5 | R226 E277 S284 | R226-I281 HydrophobicContact CB-CD1 4.38Å; R226-I281 HydrophobicContact CB-CG2 4Å; R226-I281 HydrophobicContact CG-CD1 4.26Å; R226-I281 HydrophobicContact CG-CG2 4.18Å; E277-I281 HydrophobicContact CG-CD1 4.02Å; E277-I281 WeakPolarHBondContact O-CD1 3.35Å; E277-I281 VanDerWaalsContact O-CG1 3.3Å; E277-I281 WeakPolarHBondContact O-CG1 3.33Å; E277-I281 PolarHBondContact O-N 3.4Å; I281-S284 PolarHBondContact O-OG 3.49Å; I281-S284 VanDerWaalsContact O-OG 3.1Å |
| 282 | N | 67.8 | Low | 70.8 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -81.7 | -15.2 | -177.4 | -65.9 | -27.2 | 0 | 0 | 0 | 113.4 | V265 A278 G279 S280 S284 L285 L286 | V265-N282 VanDerWaalsContact CG2-ND2 3.31Å; V265-N282 WeakPolarHBondContact CG2-ND2 3.27Å; A278-N282 PolarHBondContact O-N 2.91Å; A278-N282 PolarHBondContact O-ND2 3.35Å; G279-N282 PolarHBondContact O-N 3.49Å; S280-N282 PolarHBondContact O-N 2.91Å; N282-S284 VanDerWaalsContact C-N 3.27Å; N282-S284 PolarHBondContact O-N 3.38Å; N282-L285 PolarHBondContact O-N 3.39Å; N282-L285 VanDerWaalsContact O-N 3.13Å; N282-L286 HydrophobicContact CB-CD1 4.07Å; N282-L286 HydrophobicContact CB-CG 4.35Å; N282-L286 WeakPolarHBondContact O-CB 3.32Å; N282-L286 VanDerWaalsContact O-CG 3.26Å; N282-L286 WeakPolarHBondContact O-CG 3.32Å; N282-L286 PolarHBondContact O-N 3.34Å |
| 283 | Q | 79.4 | Confident | 72.6 | Confident | 78 Ų | 78 | 56.2 Ų | 56.2 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -51.2 | -49 | 178.9 | -179.7 | 176.1 | -4.3 | 0 | 0 | 111.2 | G279 S280 L285 L286 T287 E306 | G279-Q283 PolarHBondContact O-N 3.21Å; S280-Q283 WeakPolarHBondContact O-CB 3.36Å; S280-Q283 PolarHBondContact O-N 3.01Å; Q283-L285 PolarHBondContact O-N 2.89Å; Q283-L286 PolarHBondContact O-N 2.87Å; Q283-T287 VanDerWaalsContact O-CB 3.28Å; Q283-T287 WeakPolarHBondContact O-CB 3.35Å; Q283-T287 PolarHBondContact O-N 2.9Å; Q283-T287 PolarHBondContact O-OG1 2.93Å; Q283-E306 PolarHBondContact NE2-O 3.32Å |
| 284 | S | 83.6 | Confident | 74.4 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.028 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.1 | -46.4 | 177.9 | 56.6 | 0 | 0 | 0 | 0 | 114 | E150 H228 I281 N282 L288 S307 | E150-S284 WeakPolarHBondContact OE1-CB 3.49Å; H228-S284 PolarHBondContact NE2-OG 3.36Å; I281-S284 PolarHBondContact O-OG 3.49Å; I281-S284 VanDerWaalsContact O-OG 3.1Å; N282-S284 VanDerWaalsContact C-N 3.27Å; N282-S284 PolarHBondContact O-N 3.38Å; S284-L288 VanDerWaalsContact O-CB 3.25Å; S284-L288 WeakPolarHBondContact O-CB 3.38Å; S284-L288 PolarHBondContact O-N 2.75Å; S284-S307 WeakPolarHBondContact CA-OG 3.41Å; S284-S307 WeakPolarHBondContact CB-OG 3.41Å |
| 285 | L | 83.9 | Confident | 76.2 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.8 | -35 | -179.8 | -69.5 | -179.8 | 0 | 0 | 0 | 113.2 | Y88 L259 A260 G261 N282 Q283 L288 G289 | Y88-L285 HydrophobicContact CE2-CD2 4.16Å; L259-L285 HydrophobicContact CB-CD2 4.42Å; L259-L285 HydrophobicContact CD1-CD2 4.42Å; A260-L285 HydrophobicContact CB-CD1 4.32Å; G261-L285 WeakPolarHBondContact O-CD1 3.25Å; N282-L285 PolarHBondContact O-N 3.39Å; N282-L285 VanDerWaalsContact O-N 3.13Å; Q283-L285 PolarHBondContact O-N 2.89Å; L285-L288 HydrophobicContact CD2-CD2 4.16Å; L285-L288 WeakPolarHBondContact O-CB 3.48Å; L285-L288 PolarHBondContact O-N 3.13Å; L285-G289 PolarHBondContact O-N 2.95Å |
| 286 | L | 84.1 | Confident | 77.9 | Confident | 92 Ų | 92 | 41.5 Ų | 41.5 | 48% | 0.482 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.9 | -47.7 | 175 | -71.7 | 170.3 | 0 | 0 | 0 | 110.6 | N282 Q283 L288 G289 R290 | N282-L286 HydrophobicContact CB-CD1 4.07Å; N282-L286 HydrophobicContact CB-CG 4.35Å; N282-L286 WeakPolarHBondContact O-CB 3.32Å; N282-L286 VanDerWaalsContact O-CG 3.26Å; N282-L286 WeakPolarHBondContact O-CG 3.32Å; N282-L286 PolarHBondContact O-N 3.34Å; Q283-L286 PolarHBondContact O-N 2.87Å; L286-L288 VanDerWaalsContact C-N 3.3Å; L286-L288 PolarHBondContact O-N 3.26Å; L286-G289 PolarHBondContact O-N 3.34Å; L286-R290 WeakPolarHBondContact O-CG 3.49Å; L286-R290 PolarHBondContact O-N 2.92Å |
| 287 | T | 86.9 | Confident | 79.4 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 174.4 | -59.9 | 0 | 0 | 0 | 0 | 110.6 | Q283 G289 R290 V291 E306 T310 | Q283-T287 VanDerWaalsContact O-CB 3.28Å; Q283-T287 WeakPolarHBondContact O-CB 3.35Å; Q283-T287 PolarHBondContact O-N 2.9Å; Q283-T287 PolarHBondContact O-OG1 2.93Å; T287-G289 VanDerWaalsContact C-N 3.32Å; T287-G289 PolarHBondContact O-N 3.26Å; T287-R290 CarbonylContact O-C 3.58Å; T287-R290 WeakPolarHBondContact O-CB 3.45Å; T287-R290 PolarHBondContact O-N 3.16Å; T287-R290 VanDerWaalsContact O-N 3.12Å; T287-V291 HydrophobicContact CG2-CG2 4.38Å; T287-V291 WeakPolarHBondContact O-CG2 3.35Å; T287-V291 PolarHBondContact O-N 3.24Å; T287-E306 HydrophobicContact CG2-CB 3.51Å; T287-T310 HydrophobicContact CG2-CG2 4Å |
| 288 | L | 89 | Confident | 81 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 174.8 | -175.3 | 67.6 | 0 | 0 | 0 | 112.1 | L259 S284 L285 L286 R290 V291 I292 T310 L317 Y345 | L259-L288 HydrophobicContact CD1-CD2 4.08Å; S284-L288 VanDerWaalsContact O-CB 3.25Å; S284-L288 WeakPolarHBondContact O-CB 3.38Å; S284-L288 PolarHBondContact O-N 2.75Å; L285-L288 HydrophobicContact CD2-CD2 4.16Å; L285-L288 WeakPolarHBondContact O-CB 3.48Å; L285-L288 PolarHBondContact O-N 3.13Å; L286-L288 VanDerWaalsContact C-N 3.3Å; L286-L288 PolarHBondContact O-N 3.26Å; L288-R290 PolarHBondContact O-N 3.4Å; L288-V291 PolarHBondContact O-N 3.2Å; L288-I292 WeakPolarHBondContact O-CG1 3.37Å; L288-I292 PolarHBondContact O-N 2.91Å; L288-T310 HydrophobicContact CB-CG2 3.93Å; L288-T310 HydrophobicContact CD1-CG2 3.91Å; L288-L317 HydrophobicContact CD1-CD1 3.36Å; L288-Y345 WeakPolarHBondContact CD2-OH 3.38Å; L288-Y345 WeakPolarHBondContact CG-OH 3.42Å |
| 289 | G | 88.2 | Confident | 82.4 | Confident | 15 Ų | 15 | 42.8 Ų | 42.8 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L285 L286 T287 T293 | L285-G289 PolarHBondContact O-N 2.95Å; L286-G289 PolarHBondContact O-N 3.34Å; T287-G289 VanDerWaalsContact C-N 3.32Å; T287-G289 PolarHBondContact O-N 3.26Å; G289-T293 WeakPolarHBondContact O-CB 3.21Å; G289-T293 PolarHBondContact O-N 2.72Å; G289-T293 PolarHBondContact O-OG1 2.8Å |
| 290 | R | 89.4 | Confident | 83.5 | Confident | 145 Ų | 145 | 47.9 Ų | 47.9 | 55% | 0.547 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 173.5 | -67.7 | 175.3 | -177.6 | 179.4 | -0.6 | 112 | L286 T287 L288 T293 S294 P303 E306 | L286-R290 WeakPolarHBondContact O-CG 3.49Å; L286-R290 PolarHBondContact O-N 2.92Å; T287-R290 CarbonylContact O-C 3.58Å; T287-R290 WeakPolarHBondContact O-CB 3.45Å; T287-R290 PolarHBondContact O-N 3.16Å; T287-R290 VanDerWaalsContact O-N 3.12Å; L288-R290 PolarHBondContact O-N 3.4Å; R290-T293 PolarHBondContact O-N 3.45Å; R290-S294 VanDerWaalsContact O-CB 3.3Å; R290-S294 WeakPolarHBondContact O-CB 3.32Å; R290-S294 PolarHBondContact O-N 2.93Å; R290-S294 PolarHBondContact O-OG 2.59Å; R290-P303 HydrophobicContact CB-CG 4.35Å; R290-E306 IonicContact NH1-OE2 2.8Å |
| 291 | V | 90.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 175.9 | 166 | 0 | 0 | 0 | 0 | 110.5 | T287 L288 T293 S294 L295 V302 P303 Y304 T310 | T287-V291 HydrophobicContact CG2-CG2 4.38Å; T287-V291 WeakPolarHBondContact O-CG2 3.35Å; T287-V291 PolarHBondContact O-N 3.24Å; L288-V291 PolarHBondContact O-N 3.2Å; V291-T293 PolarHBondContact O-N 2.83Å; V291-S294 PolarHBondContact O-N 3.4Å; V291-L295 HydrophobicContact CG1-CD1 3.87Å; V291-L295 HydrophobicContact CG1-CG 4.45Å; V291-L295 WeakPolarHBondContact O-CB 3.4Å; V291-L295 VanDerWaalsContact O-CG 3.29Å; V291-L295 WeakPolarHBondContact O-CG 3.42Å; V291-L295 PolarHBondContact O-N 3.48Å; V291-V302 HydrophobicContact CB-CG1 4.23Å; V291-V302 HydrophobicContact CG1-CG1 3.76Å; V291-V302 HydrophobicContact CG2-CG1 4.12Å; V291-P303 HydrophobicContact CG2-CG 3.98Å; V291-Y304 HydrophobicContact CG1-CD1 3.93Å; V291-Y304 HydrophobicContact CG1-CE1 3.52Å; V291-Y304 HydrophobicContact CG2-CD1 4.35Å; V291-T310 HydrophobicContact CG2-CG2 4.06Å |
| 292 | I | 89.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 176.5 | -72 | -165.2 | 0 | 0 | 0 | 111.6 | L288 S294 L295 V296 Y345 R348 A349 I352 | L288-I292 WeakPolarHBondContact O-CG1 3.37Å; L288-I292 PolarHBondContact O-N 2.91Å; I292-S294 VanDerWaalsContact C-N 3.33Å; I292-S294 PolarHBondContact O-N 3.25Å; I292-L295 PolarHBondContact O-N 3.08Å; I292-V296 HydrophobicContact CG2-CG2 4.44Å; I292-V296 VanDerWaalsContact O-CG2 3.3Å; I292-V296 WeakPolarHBondContact O-CG2 3.43Å; I292-V296 PolarHBondContact O-N 2.88Å; I292-Y345 HydrophobicContact CD1-CE1 3.73Å; I292-Y345 HydrophobicContact CD1-CE2 3.74Å; I292-Y345 WeakPolarHBondContact CD1-OH 3.37Å; I292-R348 HydrophobicContact CG2-CB 4.08Å; I292-A349 HydrophobicContact CD1-CB 3.82Å; I292-A349 HydrophobicContact CG2-CB 4.41Å; I292-I352 HydrophobicContact CB-CD1 4.12Å; I292-I352 HydrophobicContact CD1-CD1 4.21Å; I292-I352 HydrophobicContact CG1-CD1 3.79Å; I292-I352 HydrophobicContact CG2-CD1 3.96Å |
| 293 | T | 88.3 | Confident | 86.7 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 179 | -54 | 0 | 0 | 0 | 0 | 110.6 | G289 R290 V291 L295 V296 E297 R348 | G289-T293 WeakPolarHBondContact O-CB 3.21Å; G289-T293 PolarHBondContact O-N 2.72Å; G289-T293 PolarHBondContact O-OG1 2.8Å; R290-T293 PolarHBondContact O-N 3.45Å; V291-T293 PolarHBondContact O-N 2.83Å; T293-L295 VanDerWaalsContact C-N 3.32Å; T293-L295 PolarHBondContact O-N 2.83Å; T293-V296 PolarHBondContact O-N 3.47Å; T293-E297 HydrophobicContact CG2-CG 4.39Å; T293-E297 WeakPolarHBondContact CG2-OE1 3.24Å; T293-E297 WeakPolarHBondContact O-CB 3.29Å; T293-E297 WeakPolarHBondContact O-CG 3.35Å; T293-E297 PolarHBondContact O-N 2.78Å; T293-R348 PolarHBondContact OG1-NH1 3.22Å; T293-R348 VanDerWaalsContact OG1-NH1 3.15Å |
| 294 | S | 89.7 | Confident | 87.1 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -37.8 | 177.1 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | R290 V291 I292 H298 A299 | R290-S294 VanDerWaalsContact O-CB 3.3Å; R290-S294 WeakPolarHBondContact O-CB 3.32Å; R290-S294 PolarHBondContact O-N 2.93Å; R290-S294 PolarHBondContact O-OG 2.59Å; V291-S294 PolarHBondContact O-N 3.4Å; I292-S294 VanDerWaalsContact C-N 3.33Å; I292-S294 PolarHBondContact O-N 3.25Å; S294-H298 PolarHBondContact O-N 3.15Å; S294-A299 PolarHBondContact O-N 2.84Å |
| 295 | L | 88.7 | Confident | 87.3 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.5 | -43.4 | 177.4 | -76 | 169.7 | 0 | 0 | 0 | 112.1 | V291 I292 T293 H298 V302 Y304 L317 I352 | V291-L295 HydrophobicContact CG1-CD1 3.87Å; V291-L295 HydrophobicContact CG1-CG 4.45Å; V291-L295 WeakPolarHBondContact O-CB 3.4Å; V291-L295 VanDerWaalsContact O-CG 3.29Å; V291-L295 WeakPolarHBondContact O-CG 3.42Å; V291-L295 PolarHBondContact O-N 3.48Å; I292-L295 PolarHBondContact O-N 3.08Å; T293-L295 VanDerWaalsContact C-N 3.32Å; T293-L295 PolarHBondContact O-N 2.83Å; L295-H298 PolarHBondContact O-N 2.74Å; L295-V302 HydrophobicContact CD2-CG1 4.45Å; L295-V302 HydrophobicContact CD2-CG2 4.08Å; L295-V302 HydrophobicContact CG-CG1 4.26Å; L295-V302 HydrophobicContact CG-CG2 4.48Å; L295-Y304 WeakPolarHBondContact CD2-OH 3.49Å; L295-L317 HydrophobicContact CD1-CB 4.07Å; L295-L317 WeakPolarHBondContact CD1-O 2.85Å; L295-I352 HydrophobicContact CB-CD1 4.33Å; L295-I352 HydrophobicContact CB-CG1 4.2Å; L295-I352 HydrophobicContact CD1-CD1 4.16Å; L295-I352 HydrophobicContact CD1-CG2 4.36Å |
| 296 | V | 88 | Confident | 87.4 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 24% | 0.242 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 111 | I292 T293 H298 R348 N351 I352 | I292-V296 HydrophobicContact CG2-CG2 4.44Å; I292-V296 VanDerWaalsContact O-CG2 3.3Å; I292-V296 WeakPolarHBondContact O-CG2 3.43Å; I292-V296 PolarHBondContact O-N 2.88Å; T293-V296 PolarHBondContact O-N 3.47Å; V296-H298 PolarHBondContact O-CE1 2.94Å; V296-H298 PolarHBondContact O-N 2.75Å; V296-H298 PolarHBondContact O-ND1 3.33Å; V296-R348 WeakPolarHBondContact CG2-O 3.11Å; V296-N351 HydrophobicContact CG1-CB 4.28Å; V296-N351 HydrophobicContact CG2-CB 4.33Å; V296-I352 HydrophobicContact CG2-CG1 3.81Å |
| 297 | E | 88.5 | Confident | 87.6 | Confident | 142 Ų | 142 | 59.3 Ų | 59.3 | 66% | 0.664 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -2.6 | 177.5 | -67.8 | 177 | 179.8 | 0 | 0 | 113.4 | T293 A299 | T293-E297 HydrophobicContact CG2-CG 4.39Å; T293-E297 WeakPolarHBondContact CG2-OE1 3.24Å; T293-E297 WeakPolarHBondContact O-CB 3.29Å; T293-E297 WeakPolarHBondContact O-CG 3.35Å; T293-E297 PolarHBondContact O-N 2.78Å; E297-A299 PolarHBondContact O-N 2.68Å |
| 298 | H | 83.6 | Confident | 87.7 | Confident | 146 Ų | 146 | 62.5 Ų | 62.5 | 68% | 0.676 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 38.6 | -177.7 | -58.6 | 66.2 | 0 | 0 | 0 | 112.5 | S294 L295 V296 | S294-H298 PolarHBondContact O-N 3.15Å; L295-H298 PolarHBondContact O-N 2.74Å; V296-H298 PolarHBondContact O-CE1 2.94Å; V296-H298 PolarHBondContact O-N 2.75Å; V296-H298 PolarHBondContact O-ND1 3.33Å |
| 299 | A | 85.2 | Confident | 87.7 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | trans | -61.1 | 143.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S294 E297 H301 | S294-A299 PolarHBondContact O-N 2.84Å; E297-A299 PolarHBondContact O-N 2.68Å; A299-H301 VanDerWaalsContact C-N 3.27Å; A299-H301 PolarHBondContact O-N 3.45Å | ||
| 300 | P | 82.9 | Confident | 87.7 | Confident | 146 Ų | 146 | 61.8 Ų | 61.8 | 95% | 0.948 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -66.7 | -26.2 | -174.8 | 24.8 | -34.2 | 0 | 0 | 0 | 113.7 | ||
| 301 | H | 85.8 | Confident | 87.7 | Confident | 142 Ų | 142 | 57.4 Ų | 57.4 | 66% | 0.657 | 29% | 0.285 | S | S | * | . | trans | -124.7 | 120.2 | 177.8 | 178.2 | -94.4 | 0 | 0 | 0 | 110.4 | A299 | A299-H301 VanDerWaalsContact C-N 3.27Å; A299-H301 PolarHBondContact O-N 3.45Å | ||
| 302 | V | 88 | Confident | 87.6 | Confident | 30 Ų | 30 | 59 Ų | 59 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | trans | -103.3 | 122.8 | 177.4 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | V291 L295 Y304 | V291-V302 HydrophobicContact CB-CG1 4.23Å; V291-V302 HydrophobicContact CG1-CG1 3.76Å; V291-V302 HydrophobicContact CG2-CG1 4.12Å; L295-V302 HydrophobicContact CD2-CG1 4.45Å; L295-V302 HydrophobicContact CD2-CG2 4.08Å; L295-V302 HydrophobicContact CG-CG1 4.26Å; L295-V302 HydrophobicContact CG-CG2 4.48Å; V302-Y304 HydrophobicContact CB-CD2 3.89Å; V302-Y304 HydrophobicContact CB-CE2 3.56Å; V302-Y304 HydrophobicContact CG1-CD1 4.46Å; V302-Y304 HydrophobicContact CG1-CD2 3.69Å; V302-Y304 HydrophobicContact CG1-CE1 4.15Å; V302-Y304 HydrophobicContact CG1-CE2 3.31Å; V302-Y304 HydrophobicContact CG1-CG 4.26Å; V302-Y304 HydrophobicContact CG2-CE2 4.39Å; V302-Y304 PolarHBondContact O-N 3.42Å | ||
| 303 | P | 88.8 | Confident | 87.4 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | trans | -79.9 | 49.2 | -169 | 32.5 | -37.1 | 0 | 0 | 0 | 113.9 | R290 V291 R305 E306 | R290-P303 HydrophobicContact CB-CG 4.35Å; V291-P303 HydrophobicContact CG2-CG 3.98Å; P303-R305 PolarHBondContact O-N 2.9Å; P303-R305 VanDerWaalsContact O-N 3.13Å; P303-E306 HydrophobicContact CB-CB 4.49Å; P303-E306 VanDerWaalsContact CB-CD 3.48Å; P303-E306 HydrophobicContact CB-CG 3.96Å; P303-E306 WeakPolarHBondContact CB-OE1 3.35Å; P303-E306 PolarHBondContact O-N 3.15Å | ||
| 304 | Y | 87.4 | Confident | 87.4 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -57.4 | -30.4 | 179 | -66.7 | -74.9 | 0 | 0 | 0 | 113.3 | V291 L295 V302 E306 T310 R311 Q314 L317 | V291-Y304 HydrophobicContact CG1-CD1 3.93Å; V291-Y304 HydrophobicContact CG1-CE1 3.52Å; V291-Y304 HydrophobicContact CG2-CD1 4.35Å; L295-Y304 WeakPolarHBondContact CD2-OH 3.49Å; V302-Y304 HydrophobicContact CB-CD2 3.89Å; V302-Y304 HydrophobicContact CB-CE2 3.56Å; V302-Y304 HydrophobicContact CG1-CD1 4.46Å; V302-Y304 HydrophobicContact CG1-CD2 3.69Å; V302-Y304 HydrophobicContact CG1-CE1 4.15Å; V302-Y304 HydrophobicContact CG1-CE2 3.31Å; V302-Y304 HydrophobicContact CG1-CG 4.26Å; V302-Y304 HydrophobicContact CG2-CE2 4.39Å; V302-Y304 PolarHBondContact O-N 3.42Å; Y304-E306 VanDerWaalsContact C-N 3.31Å; Y304-E306 PolarHBondContact O-N 3.35Å; Y304-T310 WeakPolarHBondContact CD1-O 3.4Å; Y304-T310 PolarHBondContact O-OG1 2.82Å; Y304-R311 WeakPolarHBondContact O-CG 3.33Å; Y304-R311 PolarHBondContact O-N 3Å; Y304-Q314 HydrophobicContact CD1-CB 3.89Å; Y304-Q314 HydrophobicContact CD1-CG 3.82Å; Y304-Q314 HydrophobicContact CD2-CG 3.92Å; Y304-Q314 HydrophobicContact CE1-CB 4.19Å; Y304-Q314 HydrophobicContact CE1-CG 3.96Å; Y304-Q314 HydrophobicContact CE2-CG 4.05Å; Y304-Q314 HydrophobicContact CG-CB 4.2Å; Y304-Q314 HydrophobicContact CG-CG 3.79Å; Y304-L317 PolarHBondContact OH-O 2.88Å |
| 305 | R | 87.5 | Confident | 87.2 | Confident | 186 Ų | 186 | 60.5 Ų | 60.5 | 70% | 0.702 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -75.6 | -13.4 | -176.1 | -75.8 | -171.6 | 169.3 | -177 | -3.2 | 114.6 | D169 P303 S307 | D169-R305 IonicContact OD2-CZ 2.76Å; D169-R305 IonicContact OD2-NH2 2.82Å; D169-R305 PolarHBondContact OD2-NH2 3.42Å; P303-R305 PolarHBondContact O-N 2.9Å; P303-R305 VanDerWaalsContact O-N 3.13Å; R305-S307 VanDerWaalsContact C-N 3.26Å; R305-S307 PolarHBondContact O-N 2.86Å |
| 306 | E | 86.3 | Confident | 87.1 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -73.9 | -12.4 | -176.8 | -73.8 | -179.8 | -162.9 | 0 | 0 | 114 | Q283 T287 R290 P303 Y304 | Q283-E306 PolarHBondContact NE2-O 3.32Å; T287-E306 HydrophobicContact CG2-CB 3.51Å; R290-E306 IonicContact NH1-OE2 2.8Å; P303-E306 HydrophobicContact CB-CB 4.49Å; P303-E306 VanDerWaalsContact CB-CD 3.48Å; P303-E306 HydrophobicContact CB-CG 3.96Å; P303-E306 WeakPolarHBondContact CB-OE1 3.35Å; P303-E306 PolarHBondContact O-N 3.15Å; Y304-E306 VanDerWaalsContact C-N 3.31Å; Y304-E306 PolarHBondContact O-N 3.35Å |
| 307 | S | 88.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | trans | -144.9 | 146 | 171 | 171.5 | 0 | 0 | 0 | 0 | 111 | E150 S284 R305 L309 T310 R311 | E150-S307 WeakPolarHBondContact OE1-CB 3.5Å; E150-S307 PolarHBondContact OE1-OG 3.44Å; E150-S307 WeakPolarHBondContact OE2-CA 3.25Å; E150-S307 PolarHBondContact OE2-OG 3.2Å; S284-S307 WeakPolarHBondContact CA-OG 3.41Å; S284-S307 WeakPolarHBondContact CB-OG 3.41Å; R305-S307 VanDerWaalsContact C-N 3.26Å; R305-S307 PolarHBondContact O-N 2.86Å; S307-L309 PolarHBondContact O-N 3.37Å; S307-L309 PolarHBondContact OG-N 3.49Å; S307-T310 PolarHBondContact O-N 3.25Å; S307-T310 PolarHBondContact O-OG1 2.57Å; S307-R311 WeakPolarHBondContact O-CG 3.3Å; S307-R311 PolarHBondContact O-N 2.88Å; S307-R311 VanDerWaalsContact O-N 3.16Å | ||
| 308 | K | 88.2 | Confident | 86.7 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -33.8 | 173.5 | -64.6 | -171.2 | -171 | 166 | 0 | 111.9 | E150 L152 I167 R311 L312 | E150-K308 WeakPolarHBondContact O-CD 3.27Å; E150-K308 WeakPolarHBondContact O-CE 3.29Å; E150-K308 PolarHBondContact O-NZ 3.33Å; E150-K308 PolarHBondContact OE2-N 3Å; L152-K308 HydrophobicContact CD1-CD 4.32Å; L152-K308 HydrophobicContact CD2-CB 4.37Å; L152-K308 HydrophobicContact CD2-CD 4.46Å; L152-K308 HydrophobicContact CG-CD 4.02Å; I167-K308 HydrophobicContact CD1-CB 3.83Å; I167-K308 HydrophobicContact CD1-CD 4.4Å; I167-K308 HydrophobicContact CD1-CG 4.13Å; K308-R311 PolarHBondContact O-N 2.85Å; K308-L312 VanDerWaalsContact O-CG 3.32Å; K308-L312 WeakPolarHBondContact O-CG 3.31Å; K308-L312 PolarHBondContact O-N 2.72Å |
| 309 | L | 88.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -48.8 | 177.2 | 179.1 | 67.2 | 0 | 0 | 0 | 111 | H228 I230 L259 S307 R311 L312 L313 | H228-L309 HydrophobicContact CB-CD1 4.17Å; I230-L309 HydrophobicContact CD1-CD1 4.24Å; L259-L309 HydrophobicContact CD2-CD1 4.18Å; L259-L309 HydrophobicContact CD2-CD2 3.86Å; S307-L309 PolarHBondContact O-N 3.37Å; S307-L309 PolarHBondContact OG-N 3.49Å; L309-R311 VanDerWaalsContact C-N 3.28Å; L309-R311 PolarHBondContact O-N 2.85Å; L309-L312 PolarHBondContact O-N 3.18Å; L309-L313 HydrophobicContact CD1-CD1 3.73Å; L309-L313 HydrophobicContact CD1-CG 4.28Å; L309-L313 HydrophobicContact CG-CD1 3.88Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.33Å; L309-L313 PolarHBondContact O-N 3.31Å |
| 310 | T | 89.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -28.2 | 179.3 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | T287 L288 V291 Y304 S307 Q314 | T287-T310 HydrophobicContact CG2-CG2 4Å; L288-T310 HydrophobicContact CB-CG2 3.93Å; L288-T310 HydrophobicContact CD1-CG2 3.91Å; V291-T310 HydrophobicContact CG2-CG2 4.06Å; Y304-T310 WeakPolarHBondContact CD1-O 3.4Å; Y304-T310 PolarHBondContact O-OG1 2.82Å; S307-T310 PolarHBondContact O-N 3.25Å; S307-T310 PolarHBondContact O-OG1 2.57Å; T310-Q314 PolarHBondContact O-N 2.89Å; T310-Q314 VanDerWaalsContact O-N 3.07Å |
| 311 | R | 88.5 | Confident | 87 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -47 | 169.9 | -67.6 | -176.8 | 71 | -172.1 | -0.4 | 112 | D169 V177 Y304 S307 K308 L309 L313 Q314 | D169-R311 IonicContact OD1-CZ 3.73Å; D169-R311 IonicContact OD1-NH2 2.85Å; D169-R311 PolarHBondContact OD1-NH2 3.27Å; V177-R311 VanDerWaalsContact CG2-O 3.3Å; V177-R311 WeakPolarHBondContact CG2-O 3.48Å; Y304-R311 WeakPolarHBondContact O-CG 3.33Å; Y304-R311 PolarHBondContact O-N 3Å; S307-R311 WeakPolarHBondContact O-CG 3.3Å; S307-R311 PolarHBondContact O-N 2.88Å; S307-R311 VanDerWaalsContact O-N 3.16Å; K308-R311 PolarHBondContact O-N 2.85Å; L309-R311 VanDerWaalsContact C-N 3.28Å; L309-R311 PolarHBondContact O-N 2.85Å; R311-L313 PolarHBondContact O-N 2.91Å; R311-Q314 VanDerWaalsContact O-CB 3.3Å; R311-Q314 WeakPolarHBondContact O-CB 3.3Å; R311-Q314 PolarHBondContact O-N 3.34Å |
| 312 | L | 88.5 | Confident | 87.2 | Confident | 34 Ų | 34 | 37 Ų | 37 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -33 | 178.7 | -69.5 | 169 | 0 | 0 | 0 | 112.3 | L145 V147 L152 I167 V177 V179 I230 K308 L309 | L145-L312 HydrophobicContact CD2-CD1 3.62Å; L145-L312 HydrophobicContact CD2-CD2 4.37Å; V147-L312 HydrophobicContact CG2-CD1 3.99Å; L152-L312 HydrophobicContact CD2-CD1 3.81Å; I167-L312 HydrophobicContact CD1-CD1 4.42Å; I167-L312 HydrophobicContact CD1-CD2 4.01Å; I167-L312 HydrophobicContact CD1-CG 3.93Å; I167-L312 HydrophobicContact CG1-CD2 4.17Å; V177-L312 HydrophobicContact CG1-CD2 4.18Å; V179-L312 HydrophobicContact CG2-CD2 3.36Å; I230-L312 HydrophobicContact CD1-CB 4.31Å; I230-L312 HydrophobicContact CD1-CD1 4.02Å; K308-L312 VanDerWaalsContact O-CG 3.32Å; K308-L312 WeakPolarHBondContact O-CG 3.31Å; K308-L312 PolarHBondContact O-N 2.72Å; L309-L312 PolarHBondContact O-N 3.18Å |
| 313 | L | 86.8 | Confident | 87.4 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 8.7 | -178.6 | -58.5 | 175.3 | 0 | 0 | 0 | 113.8 | F86 I230 V257 L309 R311 D315 S316 L317 | F86-L313 HydrophobicContact CD1-CD1 4.46Å; F86-L313 HydrophobicContact CE1-CD1 3.42Å; F86-L313 VanDerWaalsContact CE1-CD1 3.42Å; F86-L313 HydrophobicContact CE1-CD2 3.59Å; F86-L313 HydrophobicContact CE1-CG 4.03Å; F86-L313 HydrophobicContact CZ-CB 4.38Å; F86-L313 HydrophobicContact CZ-CD1 3.92Å; F86-L313 HydrophobicContact CZ-CD2 3.82Å; F86-L313 HydrophobicContact CZ-CG 4.24Å; I230-L313 HydrophobicContact CD1-CD2 4.47Å; V257-L313 HydrophobicContact CG2-CD2 4.04Å; L309-L313 HydrophobicContact CD1-CD1 3.73Å; L309-L313 HydrophobicContact CD1-CG 4.28Å; L309-L313 HydrophobicContact CG-CD1 3.88Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.33Å; L309-L313 PolarHBondContact O-N 3.31Å; R311-L313 PolarHBondContact O-N 2.91Å; L313-D315 PolarHBondContact O-N 3.48Å; L313-S316 WeakPolarHBondContact O-CB 3.36Å; L313-S316 PolarHBondContact O-N 3.42Å; L313-L317 HydrophobicContact CB-CD1 4.38Å; L313-L317 PolarHBondContact O-N 3.48Å; L313-L317 VanDerWaalsContact O-N 3.13Å |
| 314 | Q | 87.4 | Confident | 87.6 | Confident | 50 Ų | 50 | 35.6 Ų | 35.6 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -39.7 | -176.5 | 179.9 | 174 | -2.3 | 0 | 0 | 111.8 | Y304 T310 R311 S316 | Y304-Q314 HydrophobicContact CD1-CB 3.89Å; Y304-Q314 HydrophobicContact CD1-CG 3.82Å; Y304-Q314 HydrophobicContact CD2-CG 3.92Å; Y304-Q314 HydrophobicContact CE1-CB 4.19Å; Y304-Q314 HydrophobicContact CE1-CG 3.96Å; Y304-Q314 HydrophobicContact CE2-CG 4.05Å; Y304-Q314 HydrophobicContact CG-CB 4.2Å; Y304-Q314 HydrophobicContact CG-CG 3.79Å; T310-Q314 PolarHBondContact O-N 2.89Å; T310-Q314 VanDerWaalsContact O-N 3.07Å; R311-Q314 VanDerWaalsContact O-CB 3.3Å; R311-Q314 WeakPolarHBondContact O-CB 3.3Å; R311-Q314 PolarHBondContact O-N 3.34Å; Q314-S316 VanDerWaalsContact C-N 3.33Å |
| 315 | D | 85.6 | Confident | 87.9 | Confident | 32 Ų | 32 | 34.4 Ų | 34.4 | 17% | 0.171 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -23 | 177.2 | -168.5 | 49.9 | 0 | 0 | 0 | 113.2 | L313 G319 R320 T321 | L313-D315 PolarHBondContact O-N 3.48Å; D315-G319 CarbonylContact O-C 3.47Å; D315-G319 WeakPolarHBondContact O-CA 3.36Å; D315-R320 PolarHBondContact O-N 3Å; D315-R320 PolarHBondContact OD1-N 3.5Å; D315-T321 WeakPolarHBondContact O-CB 3.46Å; D315-T321 PolarHBondContact O-N 3.42Å; D315-T321 PolarHBondContact OD2-OG1 2.87Å |
| 316 | S | 86.8 | Confident | 88.2 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -24.4 | 178.3 | -52.2 | 0 | 0 | 0 | 0 | 113.3 | T84 L313 Q314 T323 N354 | T84-S316 PolarHBondContact OG1-OG 3.36Å; L313-S316 WeakPolarHBondContact O-CB 3.36Å; L313-S316 PolarHBondContact O-N 3.42Å; Q314-S316 VanDerWaalsContact C-N 3.33Å; S316-T323 WeakPolarHBondContact O-CB 3.36Å; S316-T323 PolarHBondContact O-OG1 2.84Å; S316-N354 PolarHBondContact O-ND2 3.43Å |
| 317 | L | 86.8 | Confident | 88.6 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -121.9 | 96.8 | -174.7 | -63.9 | 169.9 | 0 | 0 | 0 | 110 | I10 F86 L288 L295 Y304 L313 | I10-L317 HydrophobicContact CD1-CD2 3.86Å; F86-L317 HydrophobicContact CE2-CD2 4.04Å; F86-L317 HydrophobicContact CE2-CG 4.42Å; F86-L317 HydrophobicContact CZ-CD2 4.46Å; F86-L317 HydrophobicContact CZ-CG 4.39Å; L288-L317 HydrophobicContact CD1-CD1 3.36Å; L295-L317 HydrophobicContact CD1-CB 4.07Å; L295-L317 WeakPolarHBondContact CD1-O 2.85Å; Y304-L317 PolarHBondContact OH-O 2.88Å; L313-L317 HydrophobicContact CB-CD1 4.38Å; L313-L317 PolarHBondContact O-N 3.48Å; L313-L317 VanDerWaalsContact O-N 3.13Å |
| 318 | G | 81.6 | Confident | 88.9 | Confident | 36 Ų | 36 | 21.3 Ų | 21.3 | 37% | 0.371 | 11% | 0.108 | S | C | . | . | S | Bend | trans | 84.5 | 6.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N354 | G318-N354 VanDerWaalsContact CA-OD1 3.29Å; G318-N354 WeakPolarHBondContact CA-OD1 3.33Å; G318-N354 PolarHBondContact N-OD1 3.42Å |
| 319 | G | 85.5 | Confident | 89.2 | Confident | 14 Ų | 14 | 17.9 Ų | 17.9 | 14% | 0.144 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -104.4 | -146.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D315 R355 | D315-G319 CarbonylContact O-C 3.47Å; D315-G319 WeakPolarHBondContact O-CA 3.36Å; G319-R355 PolarHBondContact O-N 3.23Å |
| 320 | R | 83.9 | Confident | 89.3 | Confident | 105 Ų | 105 | 17.9 Ų | 17.9 | 40% | 0.396 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -99.4 | 7.4 | -170.8 | -57.4 | 169.6 | -168.9 | -144.9 | 11 | 114.4 | D315 R355 P356 E357 | D315-R320 PolarHBondContact O-N 3Å; D315-R320 PolarHBondContact OD1-N 3.5Å; R320-R355 VanDerWaalsContact CA-O 3.29Å; R320-R355 WeakPolarHBondContact CA-O 3.5Å; R320-P356 WeakPolarHBondContact O-CA 3.48Å; R320-E357 HydrophobicContact CB-CB 4.38Å; R320-E357 VanDerWaalsContact CD-OE2 3.31Å; R320-E357 WeakPolarHBondContact CD-OE2 3.27Å; R320-E357 HydrophobicContact CG-CG 4.47Å; R320-E357 IonicContact CZ-OE2 3.7Å; R320-E357 IonicContact NE-OE2 2.7Å; R320-E357 IonicContact NH1-OE2 3.37Å; R320-E357 PolarHBondContact NH1-OE2 3.49Å; R320-E357 PolarHBondContact O-N 2.92Å |
| 321 | T | 87.6 | Confident | 89.3 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -102.2 | 138.2 | -175.6 | -73.6 | 0 | 0 | 0 | 0 | 110.8 | N82 T84 D315 T323 N354 | N82-T321 HydrophobicContact CB-CG2 4.13Å; N82-T321 WeakPolarHBondContact CB-OG1 3.42Å; N82-T321 WeakPolarHBondContact O-CA 3.32Å; N82-T321 WeakPolarHBondContact O-CG2 3.16Å; T84-T321 WeakPolarHBondContact OG1-CG2 3.38Å; D315-T321 WeakPolarHBondContact O-CB 3.46Å; D315-T321 PolarHBondContact O-N 3.42Å; D315-T321 PolarHBondContact OD2-OG1 2.87Å; T321-T323 PolarHBondContact O-N 2.94Å; T321-T323 PolarHBondContact O-OG1 2.79Å; T321-N354 PolarHBondContact O-ND2 2.95Å |
| 322 | K | 89.9 | Confident | 89.4 | Confident | 24 Ų | 24 | 15.4 Ų | 15.4 | 10% | 0.104 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 122.2 | 169.8 | -72.1 | -169.6 | 171.5 | -179.8 | 0 | 109.1 | Q8 E76 Y81 N82 C83 T84 P356 | Q8-K322 VanDerWaalsContact OE1-CE 3.27Å; E76-K322 HydrophobicContact CG-CD 4.35Å; E76-K322 WeakPolarHBondContact OE1-CD 3.46Å; E76-K322 IonicContact OE1-NZ 2.67Å; E76-K322 PolarHBondContact OE1-NZ 2.85Å; E76-K322 WeakPolarHBondContact OE2-CD 3.26Å; E76-K322 IonicContact OE2-NZ 3.73Å; Y81-K322 HydrophobicContact CD1-CD 4.43Å; Y81-K322 HydrophobicContact CG-CD 4.41Å; N82-K322 PolarHBondContact O-N 2.91Å; C83-K322 CarbonylContact C-O 3.49Å; C83-K322 VanDerWaalsContact CA-O 3.22Å; C83-K322 WeakPolarHBondContact CA-O 3.43Å; T84-K322 PolarHBondContact N-O 3.26Å; K322-P356 HydrophobicContact CD-CB 4.14Å; K322-P356 HydrophobicContact CG-CB 3.3Å; K322-P356 HydrophobicContact CG-CG 3.91Å |
| 323 | T | 92.2 | Very high | 89.3 | Confident | 8 Ų | 8 | 17 Ų | 17 | 5% | 0.049 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.7 | -170.7 | -67 | 0 | 0 | 0 | 0 | 111.3 | I10 R11 T84 F86 S316 T321 N354 | I10-T323 HydrophobicContact CD1-CG2 3.98Å; I10-T323 HydrophobicContact CG1-CG2 4.24Å; I10-T323 HydrophobicContact CG2-CG2 3.97Å; R11-T323 PolarHBondContact N-O 3.38Å; T84-T323 CarbonylContact O-C 3.57Å; T84-T323 WeakPolarHBondContact O-CA 3.37Å; F86-T323 HydrophobicContact CD2-CG2 3.64Å; F86-T323 HydrophobicContact CE2-CG2 3.38Å; S316-T323 WeakPolarHBondContact O-CB 3.36Å; S316-T323 PolarHBondContact O-OG1 2.84Å; T321-T323 PolarHBondContact O-N 2.94Å; T321-T323 PolarHBondContact O-OG1 2.79Å; T323-N354 WeakPolarHBondContact CB-ND2 3.44Å; T323-N354 PolarHBondContact OG1-ND2 3Å |
| 324 | S | 92.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.028 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.4 | 167.3 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | R11 M73 T84 I85 F86 | R11-S324 WeakPolarHBondContact CB-OG 3.42Å; R11-S324 CarbonylContact O-C 3.36Å; R11-S324 WeakPolarHBondContact O-CA 3.32Å; M73-S324 WeakPolarHBondContact CE-OG 3.42Å; T84-S324 PolarHBondContact O-N 2.94Å; I85-S324 CarbonylContact C-O 3.6Å; I85-S324 WeakPolarHBondContact CA-O 3.28Å; F86-S324 PolarHBondContact N-O 3.33Å |
| 325 | I | 93.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.015 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.8 | 179.4 | -59.9 | 170.7 | 0 | 0 | 0 | 108.9 | I10 R11 V12 A13 F86 A349 | I10-I325 HydrophobicContact CG2-CD1 3.83Å; I10-I325 HydrophobicContact CG2-CG1 3.9Å; R11-I325 PolarHBondContact O-N 3.01Å; V12-I325 WeakPolarHBondContact CA-O 3.48Å; V12-I325 HydrophobicContact CG2-CB 4.38Å; A13-I325 PolarHBondContact N-O 3.13Å; F86-I325 HydrophobicContact CB-CB 4.4Å; F86-I325 HydrophobicContact CB-CG1 4.04Å; F86-I325 HydrophobicContact CB-CG2 4.34Å; F86-I325 HydrophobicContact CD2-CG1 3.77Å; F86-I325 HydrophobicContact CG-CG1 4.29Å; I325-A349 HydrophobicContact CD1-CB 3.5Å; I325-A349 VanDerWaalsContact CD1-CB 3.5Å |
| 326 | I | 95.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 101.1 | 171.1 | -54.5 | 173.8 | 0 | 0 | 0 | 107.4 | A13 R15 V65 I85 F86 A87 Y88 T98 I119 T328 | A13-I326 CarbonylContact O-C 3.5Å; A13-I326 WeakPolarHBondContact O-CA 3.35Å; R15-I326 HydrophobicContact CB-CG2 4.26Å; V65-I326 HydrophobicContact CG1-CD1 4.16Å; I85-I326 HydrophobicContact CG2-CD1 3.9Å; I85-I326 HydrophobicContact CG2-CG1 4.31Å; F86-I326 PolarHBondContact O-N 3.35Å; A87-I326 WeakPolarHBondContact CA-O 3.38Å; Y88-I326 PolarHBondContact N-O 3.39Å; T98-I326 HydrophobicContact CG2-CD1 4.24Å; T98-I326 HydrophobicContact CG2-CG2 4.23Å; I119-I326 HydrophobicContact CD1-CD1 3.49Å; I119-I326 VanDerWaalsContact CD1-CD1 3.49Å; I326-T328 HydrophobicContact CG2-CG2 4.41Å; I326-T328 PolarHBondContact O-N 3.35Å |
| 327 | A | 95 | Very high | 89.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 110.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | A13 V14 R15 Y88 T342 A346 | A13-A327 PolarHBondContact O-N 3.16Å; V14-A327 CarbonylContact C-O 3.57Å; V14-A327 WeakPolarHBondContact CA-O 3.42Å; V14-A327 HydrophobicContact CG2-CB 4.23Å; R15-A327 PolarHBondContact N-O 2.64Å; Y88-A327 CarbonylContact O-C 3.2Å; Y88-A327 VanDerWaalsContact O-CA 3.3Å; Y88-A327 WeakPolarHBondContact O-CA 3.42Å; A327-T342 HydrophobicContact CB-CG2 4.13Å; A327-A346 HydrophobicContact CB-CB 3.83Å |
| 328 | T | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.5 | 179.6 | 57.9 | 0 | 0 | 0 | 0 | 111 | R15 Y88 S93 K95 I326 | R15-T328 HydrophobicContact CB-CG2 4.39Å; R15-T328 CarbonylContact O-C 3.57Å; R15-T328 WeakPolarHBondContact O-CA 3.45Å; Y88-T328 PolarHBondContact O-N 3.38Å; Y88-T328 PolarHBondContact O-OG1 2.95Å; S93-T328 VanDerWaalsContact CB-O 3.28Å; S93-T328 WeakPolarHBondContact CB-O 3.45Å; S93-T328 PolarHBondContact OG-O 3Å; S93-T328 PolarHBondContact OG-OG1 2.73Å; K95-T328 HydrophobicContact CG-CG2 4.43Å; K95-T328 WeakPolarHBondContact CG-OG1 3.45Å; I326-T328 HydrophobicContact CG2-CG2 4.41Å; I326-T328 PolarHBondContact O-N 3.35Å |
| 329 | I | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 156.9 | -176.2 | 62.6 | 171 | 0 | 0 | 0 | 112.2 | V14 R15 C16 R17 V32 V39 T339 T342 L343 | V14-I329 HydrophobicContact CG1-CD1 3.6Å; V14-I329 HydrophobicContact CG1-CG1 3.87Å; V14-I329 HydrophobicContact CG1-CG2 4.41Å; R15-I329 PolarHBondContact O-N 2.72Å; C16-I329 HydrophobicContact CB-CD1 4.31Å; C16-I329 HydrophobicContact CB-CG1 4.02Å; R17-I329 PolarHBondContact N-O 3.29Å; R17-I329 VanDerWaalsContact N-O 3.14Å; V32-I329 HydrophobicContact CG1-CD1 3.95Å; V32-I329 HydrophobicContact CG2-CD1 4.5Å; V39-I329 HydrophobicContact CG1-CD1 4.15Å; I329-T339 HydrophobicContact CB-CG2 3.97Å; I329-T339 HydrophobicContact CD1-CG2 4.11Å; I329-T339 HydrophobicContact CG2-CG2 4.1Å; I329-T342 HydrophobicContact CG2-CG2 3.92Å; I329-L343 HydrophobicContact CD1-CD2 4.41Å; I329-L343 HydrophobicContact CG2-CD2 4.32Å; I329-L343 HydrophobicContact CG2-CG 4.4Å |
| 330 | S | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -98.2 | 139.8 | 172.3 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | R17 E23 A332 T339 | R17-S330 PolarHBondContact NH2-OG 3.13Å; R17-S330 VanDerWaalsContact NH2-OG 3.08Å; E23-S330 PolarHBondContact OE1-OG 3.28Å; S330-A332 VanDerWaalsContact C-N 3.25Å; S330-A332 PolarHBondContact O-N 2.84Å; S330-A332 PolarHBondContact OG-N 3.1Å; S330-T339 PolarHBondContact O-OG1 2.55Å | ||
| 331 | P | 89.9 | Confident | 90 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -72.7 | -18.7 | 173.2 | 28.9 | -33.2 | 0 | 0 | 0 | 112.9 | R17 S30 C31 | R17-P331 VanDerWaalsContact O-CD 3.27Å; R17-P331 WeakPolarHBondContact O-CD 3.34Å; R17-P331 WeakPolarHBondContact O-CG 3.35Å; S30-P331 CarbonylContact C-O 3.51Å; S30-P331 VanDerWaalsContact CA-O 3.28Å; S30-P331 WeakPolarHBondContact CA-O 3.29Å; C31-P331 PolarHBondContact N-O 3.18Å; C31-P331 PolarHBondContact SG-O 3.31Å; C31-P331 VanDerWaalsContact SG-O 3.34Å | ||
| 332 | A | 89.2 | Confident | 90.2 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -67.3 | 134.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E23 V28 S330 T334 S335 | E23-A332 HydrophobicContact CG-CB 4.21Å; E23-A332 VanDerWaalsContact OE1-CB 3.29Å; E23-A332 WeakPolarHBondContact OE1-CB 3.12Å; V28-A332 HydrophobicContact CG1-CB 3.89Å; S330-A332 VanDerWaalsContact C-N 3.25Å; S330-A332 PolarHBondContact O-N 2.84Å; S330-A332 PolarHBondContact OG-N 3.1Å; A332-T334 PolarHBondContact O-N 2.79Å; A332-T334 VanDerWaalsContact O-N 3.16Å; A332-S335 WeakPolarHBondContact O-CB 3.34Å; A332-S335 PolarHBondContact O-N 3.19Å |
| 333 | M | 86.2 | Confident | 90.3 | Very high | 67 Ų | 67 | 21.5 Ų | 21.5 | 33% | 0.33 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -57.1 | -29 | 175.8 | -177.1 | 67.2 | 91.3 | 0 | 0 | 113.5 | V28 R29 C31 S335 L336 | V28-M333 HydrophobicContact CG1-CB 4.24Å; R29-M333 WeakPolarHBondContact O-CB 3.25Å; R29-M333 PolarHBondContact O-N 2.81Å; C31-M333 HydrophobicContact CB-CB 4.45Å; C31-M333 HydrophobicContact CB-CE 4.19Å; C31-M333 HydrophobicContact CB-SD 3.86Å; M333-S335 PolarHBondContact O-N 3.23Å; M333-L336 WeakPolarHBondContact O-CB 3.14Å; M333-L336 PolarHBondContact O-N 3.16Å; M333-L336 HydrophobicContact SD-CB 4.41Å; M333-L336 HydrophobicContact SD-CD2 4Å |
| 334 | T | 85.4 | Confident | 90.2 | Very high | 108 Ų | 108 | 23.9 Ų | 23.9 | 66% | 0.663 | 13% | 0.131 | S | C | * | . | G | 310 helix | trans | -62.7 | -21.1 | 175 | 50 | 0 | 0 | 0 | 0 | 113.3 | V28 A332 | V28-T334 HydrophobicContact CG1-CG2 4.05Å; V28-T334 HydrophobicContact CG2-CG2 4.27Å; A332-T334 PolarHBondContact O-N 2.79Å; A332-T334 VanDerWaalsContact O-N 3.16Å |
| 335 | S | 84.6 | Confident | 90.1 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -108.1 | 16.2 | -177.5 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | Q90 A332 M333 E337 E338 T339 | Q90-S335 PolarHBondContact NE2-OG 3.41Å; Q90-S335 VanDerWaalsContact OE1-CB 3.29Å; A332-S335 WeakPolarHBondContact O-CB 3.34Å; A332-S335 PolarHBondContact O-N 3.19Å; M333-S335 PolarHBondContact O-N 3.23Å; S335-E337 PolarHBondContact O-N 3.32Å; S335-E338 PolarHBondContact O-N 2.73Å; S335-T339 WeakPolarHBondContact O-CB 3.48Å; S335-T339 PolarHBondContact O-N 2.65Å; S335-T339 PolarHBondContact O-OG1 2.92Å |
| 336 | L | 86.8 | Confident | 90 | Very high | 23 Ų | 23 | 24 Ų | 24 | 12% | 0.12 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.1 | -49.3 | -174.4 | 175.5 | 66.1 | 0 | 0 | 0 | 112.7 | C31 V41 D43 M333 T339 L340 | C31-L336 HydrophobicContact CB-CD1 4.1Å; V41-L336 HydrophobicContact CG1-CD1 3.32Å; D43-L336 HydrophobicContact CB-CD2 4.16Å; D43-L336 WeakPolarHBondContact OD1-CD2 3.42Å; M333-L336 WeakPolarHBondContact O-CB 3.14Å; M333-L336 PolarHBondContact O-N 3.16Å; M333-L336 HydrophobicContact SD-CB 4.41Å; M333-L336 HydrophobicContact SD-CD2 4Å; L336-T339 PolarHBondContact O-N 3.42Å; L336-L340 HydrophobicContact CD1-CD1 4.32Å; L336-L340 HydrophobicContact CD1-CG 4.45Å; L336-L340 HydrophobicContact CG-CD1 4.28Å; L336-L340 WeakPolarHBondContact O-CG 3.34Å; L336-L340 PolarHBondContact O-N 3.3Å |
| 337 | E | 86.5 | Confident | 89.8 | Confident | 111 Ų | 111 | 27.5 Ų | 27.5 | 52% | 0.519 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.8 | -43 | -177.2 | -171 | -178.8 | 173.4 | 0 | 0 | 112.1 | R267 S335 T339 L340 S341 | R267-E337 IonicContact CZ-OE1 3.77Å; R267-E337 IonicContact CZ-OE2 2.78Å; R267-E337 VanDerWaalsContact NH1-CD 3.35Å; R267-E337 IonicContact NH1-OE1 3.62Å; R267-E337 IonicContact NH1-OE2 2.67Å; R267-E337 PolarHBondContact NH1-OE2 3.27Å; R267-E337 IonicContact NH2-OE1 3.2Å; R267-E337 PolarHBondContact NH2-OE1 2.89Å; R267-E337 IonicContact NH2-OE2 2.85Å; R267-E337 PolarHBondContact NH2-OE2 3.4Å; S335-E337 PolarHBondContact O-N 3.32Å; E337-T339 VanDerWaalsContact C-N 3.33Å; E337-T339 PolarHBondContact O-N 2.9Å; E337-L340 PolarHBondContact O-N 2.85Å; E337-S341 WeakPolarHBondContact O-CB 3.41Å; E337-S341 PolarHBondContact O-N 2.87Å |
| 338 | E | 88 | Confident | 89.5 | Confident | 27 Ų | 27 | 32 Ų | 32 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 177.8 | -60.5 | -56.6 | 157.3 | 0 | 0 | 111.9 | Q90 E263 S335 S341 T342 | Q90-E338 HydrophobicContact CB-CB 4.19Å; E263-E338 WeakPolarHBondContact CA-OE2 3.4Å; E263-E338 HydrophobicContact CB-CG 4.34Å; S335-E338 PolarHBondContact O-N 2.73Å; E338-S341 PolarHBondContact O-N 2.86Å; E338-T342 WeakPolarHBondContact O-CB 3.32Å; E338-T342 PolarHBondContact O-N 2.95Å; E338-T342 PolarHBondContact O-OG1 2.95Å |
| 339 | T | 89.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 173.9 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | V32 V41 I329 S330 S335 L336 E337 T342 L343 | V32-T339 HydrophobicContact CG2-CG2 3.99Å; V41-T339 HydrophobicContact CG2-CG2 4.43Å; I329-T339 HydrophobicContact CB-CG2 3.97Å; I329-T339 HydrophobicContact CD1-CG2 4.11Å; I329-T339 HydrophobicContact CG2-CG2 4.1Å; S330-T339 PolarHBondContact O-OG1 2.55Å; S335-T339 WeakPolarHBondContact O-CB 3.48Å; S335-T339 PolarHBondContact O-N 2.65Å; S335-T339 PolarHBondContact O-OG1 2.92Å; L336-T339 PolarHBondContact O-N 3.42Å; E337-T339 VanDerWaalsContact C-N 3.33Å; E337-T339 PolarHBondContact O-N 2.9Å; T339-T342 PolarHBondContact O-N 3.36Å; T339-L343 HydrophobicContact CG2-CD1 3.92Å; T339-L343 HydrophobicContact CG2-CG 4.47Å; T339-L343 WeakPolarHBondContact O-CB 3.43Å; T339-L343 VanDerWaalsContact O-CG 3.22Å; T339-L343 WeakPolarHBondContact O-CG 3.19Å; T339-L343 PolarHBondContact O-N 3.02Å |
| 340 | L | 90.4 | Very high | 89.1 | Confident | 32 Ų | 32 | 34.3 Ų | 34.3 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.3 | -73.8 | 173.6 | 0 | 0 | 0 | 111.7 | V41 K48 F50 L336 E337 T342 L343 D344 | V41-L340 HydrophobicContact CB-CD2 3.97Å; V41-L340 HydrophobicContact CG1-CD2 3.78Å; V41-L340 HydrophobicContact CG1-CG 4.18Å; V41-L340 HydrophobicContact CG2-CD2 4.26Å; K48-L340 HydrophobicContact CD-CD2 4.1Å; F50-L340 HydrophobicContact CE2-CD2 4.11Å; L336-L340 HydrophobicContact CD1-CD1 4.32Å; L336-L340 HydrophobicContact CD1-CG 4.45Å; L336-L340 HydrophobicContact CG-CD1 4.28Å; L336-L340 WeakPolarHBondContact O-CG 3.34Å; L336-L340 PolarHBondContact O-N 3.3Å; E337-L340 PolarHBondContact O-N 2.85Å; L340-T342 VanDerWaalsContact C-N 3.33Å; L340-T342 PolarHBondContact O-N 3.17Å; L340-L343 PolarHBondContact O-N 2.82Å; L340-D344 WeakPolarHBondContact O-CB 3.06Å; L340-D344 PolarHBondContact O-N 3.44Å |
| 341 | S | 88.9 | Confident | 89 | Confident | 52 Ų | 52 | 38.1 Ų | 38.1 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58 | -44.8 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 112 | E337 E338 L343 D344 Y345 | E337-S341 WeakPolarHBondContact O-CB 3.41Å; E337-S341 PolarHBondContact O-N 2.87Å; E338-S341 PolarHBondContact O-N 2.86Å; S341-L343 PolarHBondContact O-N 2.86Å; S341-D344 PolarHBondContact O-N 3.05Å; S341-Y345 WeakPolarHBondContact O-CB 3.47Å; S341-Y345 PolarHBondContact O-N 3.46Å |
| 342 | T | 91.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | Y88 A327 I329 E338 T339 L340 A346 | Y88-T342 HydrophobicContact CD1-CG2 3.96Å; Y88-T342 HydrophobicContact CE1-CG2 4.12Å; A327-T342 HydrophobicContact CB-CG2 4.13Å; I329-T342 HydrophobicContact CG2-CG2 3.92Å; E338-T342 WeakPolarHBondContact O-CB 3.32Å; E338-T342 PolarHBondContact O-N 2.95Å; E338-T342 PolarHBondContact O-OG1 2.95Å; T339-T342 PolarHBondContact O-N 3.36Å; L340-T342 VanDerWaalsContact C-N 3.33Å; L340-T342 PolarHBondContact O-N 3.17Å; T342-A346 WeakPolarHBondContact O-CB 3.44Å; T342-A346 PolarHBondContact O-N 3.2Å |
| 343 | L | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.2 | -41 | 179.1 | -67.6 | 171 | 0 | 0 | 0 | 112.3 | V14 V39 V41 F50 F52 I329 T339 L340 S341 Y345 A346 H347 | V14-L343 HydrophobicContact CG1-CD2 4Å; V14-L343 HydrophobicContact CG2-CD2 3.77Å; V39-L343 HydrophobicContact CG1-CD1 3.98Å; V39-L343 HydrophobicContact CG1-CD2 4.35Å; V41-L343 HydrophobicContact CG2-CD1 3.39Å; F50-L343 HydrophobicContact CD1-CB 4.37Å; F50-L343 HydrophobicContact CD2-CB 3.99Å; F50-L343 HydrophobicContact CD2-CD1 3.88Å; F50-L343 HydrophobicContact CD2-CG 4.49Å; F50-L343 HydrophobicContact CE1-CB 4.38Å; F50-L343 HydrophobicContact CE2-CB 4Å; F50-L343 HydrophobicContact CE2-CD1 4.09Å; F50-L343 HydrophobicContact CG-CB 4.18Å; F50-L343 HydrophobicContact CZ-CB 4.19Å; F52-L343 HydrophobicContact CE2-CD2 3.67Å; F52-L343 HydrophobicContact CZ-CB 4.37Å; F52-L343 HydrophobicContact CZ-CD2 3.74Å; I329-L343 HydrophobicContact CD1-CD2 4.41Å; I329-L343 HydrophobicContact CG2-CD2 4.32Å; I329-L343 HydrophobicContact CG2-CG 4.4Å; T339-L343 HydrophobicContact CG2-CD1 3.92Å; T339-L343 HydrophobicContact CG2-CG 4.47Å; T339-L343 WeakPolarHBondContact O-CB 3.43Å; T339-L343 VanDerWaalsContact O-CG 3.22Å; T339-L343 WeakPolarHBondContact O-CG 3.19Å; T339-L343 PolarHBondContact O-N 3.02Å; L340-L343 PolarHBondContact O-N 2.82Å; S341-L343 PolarHBondContact O-N 2.86Å; L343-Y345 VanDerWaalsContact C-N 3.3Å; L343-Y345 PolarHBondContact O-N 2.92Å; L343-A346 PolarHBondContact O-N 3.3Å; L343-H347 VanDerWaalsContact O-CB 3.25Å; L343-H347 WeakPolarHBondContact O-CB 3.48Å; L343-H347 PolarHBondContact O-N 2.8Å |
| 344 | D | 90.9 | Very high | 88.7 | Confident | 57 Ų | 57 | 39.4 Ų | 39.4 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.3 | -38 | 174.8 | -79.8 | -32.8 | 0 | 0 | 0 | 111.2 | F50 L340 S341 R348 | F50-D344 WeakPolarHBondContact CE1-OD1 3.39Å; F50-D344 VanDerWaalsContact CZ-OD1 3.29Å; F50-D344 WeakPolarHBondContact CZ-OD1 3.21Å; L340-D344 WeakPolarHBondContact O-CB 3.06Å; L340-D344 PolarHBondContact O-N 3.44Å; S341-D344 PolarHBondContact O-N 3.05Å; D344-R348 WeakPolarHBondContact O-CG 3.34Å; D344-R348 PolarHBondContact O-N 2.87Å; D344-R348 VanDerWaalsContact O-N 3.15Å; D344-R348 PolarHBondContact O-NE 3.37Å |
| 345 | Y | 89.6 | Confident | 88.7 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 4% | 0.043 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -50.4 | 172.6 | 180 | -84.4 | 0 | 0 | 0 | 111.5 | Y88 L288 I292 S341 L343 H347 R348 A349 | Y88-Y345 AromaticContact CD1-CD1 3.5Å; Y88-Y345 HydrophobicContact CD1-CD1 3.5Å; Y88-Y345 VanDerWaalsContact CD1-CD1 3.5Å; Y88-Y345 AromaticContact CD1-CE1 3.79Å; Y88-Y345 HydrophobicContact CD1-CE1 3.79Å; Y88-Y345 HydrophobicContact CD1-CG 4.19Å; Y88-Y345 HydrophobicContact CD2-CE1 4.27Å; Y88-Y345 AromaticContact CE1-CD1 3.29Å; Y88-Y345 HydrophobicContact CE1-CD1 3.29Å; Y88-Y345 HydrophobicContact CE1-CD2 4.17Å; Y88-Y345 AromaticContact CE1-CE1 3.82Å; Y88-Y345 HydrophobicContact CE1-CE1 3.82Å; Y88-Y345 AromaticContact CE1-CG 3.49Å; Y88-Y345 HydrophobicContact CE1-CG 3.49Å; Y88-Y345 VanDerWaalsContact CE1-CG 3.49Å; Y88-Y345 HydrophobicContact CE2-CE1 4.28Å; Y88-Y345 HydrophobicContact CG-CD1 4.2Å; Y88-Y345 HydrophobicContact CG-CE1 4.01Å; Y88-Y345 AromaticContact CZ-CD1 3.85Å; Y88-Y345 AromaticContact CZ-CD2 4Å; Y88-Y345 AromaticContact CZ-CG 3.8Å; L288-Y345 WeakPolarHBondContact CD2-OH 3.38Å; L288-Y345 WeakPolarHBondContact CG-OH 3.42Å; I292-Y345 HydrophobicContact CD1-CE1 3.73Å; I292-Y345 HydrophobicContact CD1-CE2 3.74Å; I292-Y345 WeakPolarHBondContact CD1-OH 3.37Å; S341-Y345 WeakPolarHBondContact O-CB 3.47Å; S341-Y345 PolarHBondContact O-N 3.46Å; L343-Y345 VanDerWaalsContact C-N 3.3Å; L343-Y345 PolarHBondContact O-N 2.92Å; Y345-H347 VanDerWaalsContact C-N 3.32Å; Y345-H347 PolarHBondContact O-N 3.1Å; Y345-R348 PolarHBondContact O-N 3.29Å; Y345-A349 WeakPolarHBondContact O-CB 3.44Å; Y345-A349 PolarHBondContact O-N 2.84Å |
| 346 | A | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V12 F52 A327 T342 L343 A349 K350 | V12-A346 HydrophobicContact CG1-CB 3.82Å; F52-A346 HydrophobicContact CE1-CB 3.69Å; F52-A346 HydrophobicContact CZ-CB 4.23Å; A327-A346 HydrophobicContact CB-CB 3.83Å; T342-A346 WeakPolarHBondContact O-CB 3.44Å; T342-A346 PolarHBondContact O-N 3.2Å; L343-A346 PolarHBondContact O-N 3.3Å; A346-A349 PolarHBondContact O-N 3.39Å; A346-K350 PolarHBondContact O-N 3.41Å; A346-K350 VanDerWaalsContact O-N 3.09Å |
| 347 | H | 90.7 | Very high | 88.4 | Confident | 73 Ų | 73 | 44.7 Ų | 44.7 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 177.3 | -178.3 | -89.1 | 0 | 0 | 0 | 111.8 | F50 F52 L343 Y345 | F50-H347 HydrophobicContact CD1-CB 4.2Å; F52-H347 HydrophobicContact CE1-CB 4.3Å; L343-H347 VanDerWaalsContact O-CB 3.25Å; L343-H347 WeakPolarHBondContact O-CB 3.48Å; L343-H347 PolarHBondContact O-N 2.8Å; Y345-H347 VanDerWaalsContact C-N 3.32Å; Y345-H347 PolarHBondContact O-N 3.1Å |
| 348 | R | 89.7 | Confident | 88.2 | Confident | 95 Ų | 95 | 43.4 Ų | 43.4 | 36% | 0.358 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.3 | -45.8 | 172.9 | -75.4 | -179.2 | -72.6 | 172.7 | -5.9 | 111.5 | I292 T293 V296 D344 Y345 K350 N351 | I292-R348 HydrophobicContact CG2-CB 4.08Å; T293-R348 PolarHBondContact OG1-NH1 3.22Å; T293-R348 VanDerWaalsContact OG1-NH1 3.15Å; V296-R348 WeakPolarHBondContact CG2-O 3.11Å; D344-R348 WeakPolarHBondContact O-CG 3.34Å; D344-R348 PolarHBondContact O-N 2.87Å; D344-R348 VanDerWaalsContact O-N 3.15Å; D344-R348 PolarHBondContact O-NE 3.37Å; Y345-R348 PolarHBondContact O-N 3.29Å; R348-K350 PolarHBondContact O-N 2.99Å; R348-N351 PolarHBondContact O-N 2.94Å; R348-N351 VanDerWaalsContact O-N 3.09Å |
| 349 | A | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -31.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I292 I325 Y345 A346 N351 I352 | I292-A349 HydrophobicContact CD1-CB 3.82Å; I292-A349 HydrophobicContact CG2-CB 4.41Å; I325-A349 HydrophobicContact CD1-CB 3.5Å; I325-A349 VanDerWaalsContact CD1-CB 3.5Å; Y345-A349 WeakPolarHBondContact O-CB 3.44Å; Y345-A349 PolarHBondContact O-N 2.84Å; A346-A349 PolarHBondContact O-N 3.39Å; A349-N351 PolarHBondContact O-N 3.45Å; A349-I352 WeakPolarHBondContact O-CB 3.34Å; A349-I352 PolarHBondContact O-N 3.26Å; A349-I352 VanDerWaalsContact O-N 3.11Å |
| 350 | K | 89.4 | Confident | 86.5 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.8 | 175.4 | -176.6 | 170.6 | 172.1 | 159.3 | 0 | 113.6 | V12 D53 A346 R348 | V12-K350 HydrophobicContact CB-CB 4.39Å; V12-K350 HydrophobicContact CG2-CB 3.77Å; V12-K350 HydrophobicContact CG2-CG 4.38Å; D53-K350 VanDerWaalsContact OD1-CE 3.31Å; D53-K350 WeakPolarHBondContact OD1-CE 3.26Å; D53-K350 IonicContact OD1-NZ 2.74Å; D53-K350 PolarHBondContact OD1-NZ 2.96Å; A346-K350 PolarHBondContact O-N 3.41Å; A346-K350 VanDerWaalsContact O-N 3.09Å; R348-K350 PolarHBondContact O-N 2.99Å |
| 351 | N | 88.2 | Confident | 85.4 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 43% | 0.428 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 2.3 | -178.9 | -63.7 | -26.8 | 0 | 0 | 0 | 113.5 | V296 R348 A349 | V296-N351 HydrophobicContact CG1-CB 4.28Å; V296-N351 HydrophobicContact CG2-CB 4.33Å; R348-N351 PolarHBondContact O-N 2.94Å; R348-N351 VanDerWaalsContact O-N 3.09Å; A349-N351 PolarHBondContact O-N 3.45Å |
| 352 | I | 88.2 | Confident | 84.4 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 130.3 | 173.4 | -62 | 172.8 | 0 | 0 | 0 | 108.9 | N9 I10 I292 L295 V296 A349 | N9-I352 WeakPolarHBondContact CA-O 3.5Å; I10-I352 HydrophobicContact CD1-CB 3.69Å; I10-I352 HydrophobicContact CD1-CD1 4.13Å; I10-I352 HydrophobicContact CD1-CG1 4.48Å; I10-I352 HydrophobicContact CD1-CG2 3.77Å; I10-I352 HydrophobicContact CG1-CB 4.11Å; I10-I352 HydrophobicContact CG1-CG2 4.29Å; I10-I352 PolarHBondContact N-O 3.45Å; I10-I352 VanDerWaalsContact N-O 3.12Å; I292-I352 HydrophobicContact CB-CD1 4.12Å; I292-I352 HydrophobicContact CD1-CD1 4.21Å; I292-I352 HydrophobicContact CG1-CD1 3.79Å; I292-I352 HydrophobicContact CG2-CD1 3.96Å; L295-I352 HydrophobicContact CB-CD1 4.33Å; L295-I352 HydrophobicContact CB-CG1 4.2Å; L295-I352 HydrophobicContact CD1-CD1 4.16Å; L295-I352 HydrophobicContact CD1-CG2 4.36Å; V296-I352 HydrophobicContact CG2-CG1 3.81Å; A349-I352 WeakPolarHBondContact O-CB 3.34Å; A349-I352 PolarHBondContact O-N 3.26Å; A349-I352 VanDerWaalsContact O-N 3.11Å |
| 353 | E | 84.6 | Confident | 83.3 | Confident | 89 Ų | 89 | 52.5 Ų | 52.5 | 42% | 0.416 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.8 | 174.1 | -62.6 | -176.6 | -177.5 | 0 | 0 | 110.6 | Q7 | Q7-E353 PolarHBondContact NE2-OE2 2.92Å |
| 354 | N | 86.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 156.7 | 169 | -74.2 | 3 | 0 | 0 | 0 | 110.3 | Q8 S316 G318 T321 T323 P356 | Q8-N354 PolarHBondContact N-O 3.25Å; Q8-N354 PolarHBondContact O-N 3.08Å; S316-N354 PolarHBondContact O-ND2 3.43Å; G318-N354 VanDerWaalsContact CA-OD1 3.29Å; G318-N354 WeakPolarHBondContact CA-OD1 3.33Å; G318-N354 PolarHBondContact N-OD1 3.42Å; T321-N354 PolarHBondContact O-ND2 2.95Å; T323-N354 WeakPolarHBondContact CB-ND2 3.44Å; T323-N354 PolarHBondContact OG1-ND2 3Å; N354-P356 VanDerWaalsContact C-CD 3.45Å; N354-P356 VanDerWaalsContact O-CD 3.23Å; N354-P356 WeakPolarHBondContact O-CD 3.46Å |
| 355 | R | 85.4 | Confident | 81.3 | Confident | 150 Ų | 150 | 60.2 Ų | 60.2 | 57% | 0.566 | 29% | 0.289 | S | S | * | . | trans | -114.1 | 75.6 | 175.5 | -71.3 | -176.4 | -179.9 | 170.8 | 2.4 | 110.6 | C6 Q7 G319 R320 E357 | C6-R355 WeakPolarHBondContact O-CA 3.25Å; Q7-R355 HydrophobicContact CG-CG 4.01Å; G319-R355 PolarHBondContact O-N 3.23Å; R320-R355 VanDerWaalsContact CA-O 3.29Å; R320-R355 WeakPolarHBondContact CA-O 3.5Å; R355-E357 PolarHBondContact O-N 3.31Å | ||
| 356 | P | 83.5 | Confident | 80.5 | Confident | 14 Ų | 14 | 64 Ų | 64 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | trans | -60.5 | 122.4 | -176 | 25.7 | -36.2 | 0 | 0 | 0 | 112.4 | C6 Q8 Y81 R320 K322 N354 | C6-P356 WeakPolarHBondContact O-CD 3.36Å; Q8-P356 HydrophobicContact CB-CG 4.11Å; Y81-P356 HydrophobicContact CD1-CB 4.19Å; Y81-P356 HydrophobicContact CE1-CB 4.29Å; R320-P356 WeakPolarHBondContact O-CA 3.48Å; K322-P356 HydrophobicContact CD-CB 4.14Å; K322-P356 HydrophobicContact CG-CB 3.3Å; K322-P356 HydrophobicContact CG-CG 3.91Å; N354-P356 VanDerWaalsContact C-CD 3.45Å; N354-P356 VanDerWaalsContact O-CD 3.23Å; N354-P356 WeakPolarHBondContact O-CD 3.46Å | ||
| 357 | E | 81.5 | Confident | 79.5 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | trans | -113.2 | 140.7 | 177.6 | -70.3 | 177.3 | -179.9 | 0 | 0 | 109.8 | R320 R355 | R320-E357 HydrophobicContact CB-CB 4.38Å; R320-E357 VanDerWaalsContact CD-OE2 3.31Å; R320-E357 WeakPolarHBondContact CD-OE2 3.27Å; R320-E357 HydrophobicContact CG-CG 4.47Å; R320-E357 IonicContact CZ-OE2 3.7Å; R320-E357 IonicContact NE-OE2 2.7Å; R320-E357 IonicContact NH1-OE2 3.37Å; R320-E357 PolarHBondContact NH1-OE2 3.49Å; R320-E357 PolarHBondContact O-N 2.92Å; R355-E357 PolarHBondContact O-N 3.31Å | ||
| 358 | I | 81.6 | Confident | 78.8 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 43% | 0.426 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 129.8 | 172.3 | -59.6 | 174.3 | 0 | 0 | 0 | 107.9 | Y81 A360 | Y81-I358 HydrophobicContact CD1-CG1 3.98Å; Y81-I358 HydrophobicContact CD2-CG1 4.23Å; Y81-I358 HydrophobicContact CE1-CD1 4.37Å; Y81-I358 HydrophobicContact CE1-CG1 3.42Å; Y81-I358 VanDerWaalsContact CE1-CG1 3.42Å; Y81-I358 HydrophobicContact CE2-CD1 4.04Å; Y81-I358 HydrophobicContact CE2-CG1 3.7Å; Y81-I358 HydrophobicContact CG-CG1 4.36Å; Y81-I358 WeakPolarHBondContact OH-CG1 3.28Å; I358-A360 PolarHBondContact O-N 3.35Å |
| 359 | N | 75.2 | Confident | 78.2 | Confident | 19 Ų | 19 | 68.2 Ų | 68.2 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 129.9 | 174.8 | -69.7 | -47.7 | 0 | 0 | 0 | 110.2 | G80 N82 I251 R361 | G80-N359 WeakPolarHBondContact O-CB 3.33Å; G80-N359 PolarHBondContact O-N 2.89Å; G80-N359 PolarHBondContact O-ND2 2.91Å; N82-N359 PolarHBondContact ND2-OD1 2.94Å; N82-N359 PolarHBondContact OD1-ND2 3.33Å; I251-N359 WeakPolarHBondContact O-CB 3.43Å; I251-N359 PolarHBondContact O-ND2 3.35Å; N359-R361 PolarHBondContact O-N 3.48Å |
| 360 | A | 67.6 | Low | 77.5 | Confident | 68 Ų | 68 | 69.9 Ų | 69.9 | 56% | 0.562 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 135.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I358 L362 | I358-A360 PolarHBondContact O-N 3.35Å; A360-L362 PolarHBondContact O-N 2.84Å |
| 361 | R | 66.8 | Low | 76.9 | Confident | 127 Ų | 127 | 75 Ų | 75 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 118.5 | 172.6 | -60.6 | -177.3 | -174.5 | -174.3 | -3 | 107.6 | N359 | N359-R361 PolarHBondContact O-N 3.48Š|
| 362 | L | 66.8 | Low | 76.6 | Confident | 55 Ų | 55 | 75.7 Ų | 75.7 | 29% | 0.288 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.2 | -179 | -68.6 | 168.8 | 0 | 0 | 0 | 108.9 | L249 I251 A360 | L249-L362 HydrophobicContact CB-CB 4.5Å; L249-L362 PolarHBondContact N-O 2.83Å; L249-L362 PolarHBondContact O-N 2.91Å; I251-L362 HydrophobicContact CD1-CD1 4.1Å; A360-L362 PolarHBondContact O-N 2.84Å |
| 363 | N | 69.9 | Low | 76.2 | Confident | 34 Ų | 34 | 80.9 Ų | 80.9 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 139.4 | 169.1 | -65.1 | 11.3 | 0 | 0 | 0 | 108.1 | L248 T365 D366 L367 | L248-N363 WeakPolarHBondContact CD2-OD1 3.23Å; N363-T365 PolarHBondContact O-N 3.44Å; N363-D366 HydrophobicContact CB-CB 4.26Å; N363-D366 PolarHBondContact O-N 3.18Å; N363-D366 VanDerWaalsContact O-N 3.1Å; N363-L367 PolarHBondContact O-N 3.48Å |
| 364 | K | 68.2 | Low | 75.8 | Confident | 127 Ų | 127 | 80.4 Ų | 80.4 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -53.8 | -38.1 | 174.5 | -177.1 | 179.4 | -177.8 | 177.6 | 0 | 111.9 | E247 L367 V368 | E247-K364 WeakPolarHBondContact OE2-CD 3.27Å; E247-K364 IonicContact OE2-NZ 3.99Å; E247-K364 PolarHBondContact OE2-NZ 2.86Å; K364-L367 PolarHBondContact O-N 3.39Å; K364-V368 VanDerWaalsContact O-CG2 3.28Å; K364-V368 WeakPolarHBondContact O-CG2 3.23Å; K364-V368 PolarHBondContact O-N 2.93Å |
| 365 | T | 72.3 | Confident | 75.4 | Confident | 93 Ų | 93 | 84.4 Ų | 84.4 | 57% | 0.571 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 177 | 46.7 | 0 | 0 | 0 | 0 | 112.2 | N363 V368 K369 | N363-T365 PolarHBondContact O-N 3.44Å; T365-V368 PolarHBondContact O-N 3.41Å; T365-K369 VanDerWaalsContact O-CB 3.25Å; T365-K369 WeakPolarHBondContact O-CB 3.32Å; T365-K369 PolarHBondContact O-N 3.38Å |
| 366 | D | 72.2 | Confident | 75.3 | Confident | 89 Ų | 89 | 81.2 Ų | 81.2 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68 | -38 | 178.4 | -67.3 | -28.4 | 0 | 0 | 0 | 111.9 | N363 K369 G370 | N363-D366 HydrophobicContact CB-CB 4.26Å; N363-D366 PolarHBondContact O-N 3.18Å; N363-D366 VanDerWaalsContact O-N 3.1Å; D366-K369 PolarHBondContact O-N 3.27Å; D366-G370 PolarHBondContact O-N 2.65Å |
| 367 | L | 70.5 | Confident | 75.1 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 32% | 0.319 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64 | -46 | 176.1 | -172.9 | 68.4 | 0 | 0 | 0 | 111.3 | N363 K364 K369 G370 Y371 | N363-L367 PolarHBondContact O-N 3.48Å; K364-L367 PolarHBondContact O-N 3.39Å; L367-K369 VanDerWaalsContact C-N 3.34Å; L367-G370 PolarHBondContact O-N 3.23Å; L367-Y371 HydrophobicContact CD1-CE2 3.96Å; L367-Y371 HydrophobicContact CD2-CE2 4.1Å; L367-Y371 HydrophobicContact CG-CD2 4.12Å; L367-Y371 HydrophobicContact CG-CE2 3.68Å; L367-Y371 VanDerWaalsContact O-CD2 3.29Å; L367-Y371 WeakPolarHBondContact O-CD2 3.39Å; L367-Y371 PolarHBondContact O-N 3.06Å |
| 368 | V | 75.6 | Confident | 75.1 | Confident | 74 Ų | 74 | 85.7 Ų | 85.7 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | K364 T365 Y371 N372 | K364-V368 VanDerWaalsContact O-CG2 3.28Å; K364-V368 WeakPolarHBondContact O-CG2 3.23Å; K364-V368 PolarHBondContact O-N 2.93Å; T365-V368 PolarHBondContact O-N 3.41Å; V368-Y371 PolarHBondContact O-N 3.11Å; V368-N372 WeakPolarHBondContact O-CB 3.4Å; V368-N372 PolarHBondContact O-N 3.42Å; V368-N372 PolarHBondContact O-ND2 3.37Å |
| 369 | K | 78 | Confident | 75 | Confident | 123 Ų | 123 | 88.4 Ų | 88.4 | 54% | 0.535 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 175.7 | -172.1 | -178.6 | 176.5 | -170.7 | 0 | 111.5 | T365 D366 L367 Y371 N372 E373 | T365-K369 VanDerWaalsContact O-CB 3.25Å; T365-K369 WeakPolarHBondContact O-CB 3.32Å; T365-K369 PolarHBondContact O-N 3.38Å; D366-K369 PolarHBondContact O-N 3.27Å; L367-K369 VanDerWaalsContact C-N 3.34Å; K369-Y371 PolarHBondContact O-N 3.49Å; K369-N372 PolarHBondContact O-N 2.98Å; K369-E373 VanDerWaalsContact CE-OE1 3.25Å; K369-E373 WeakPolarHBondContact CE-OE1 3.4Å; K369-E373 WeakPolarHBondContact O-CG 3.32Å; K369-E373 PolarHBondContact O-N 3.44Å |
| 370 | G | 75 | Confident | 75 | Confident | 34 Ų | 34 | 94.8 Ų | 94.8 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D366 L367 N372 E373 E374 | D366-G370 PolarHBondContact O-N 2.65Å; L367-G370 PolarHBondContact O-N 3.23Å; G370-N372 PolarHBondContact O-N 3.12Å; G370-E373 PolarHBondContact O-N 3.01Å; G370-E374 PolarHBondContact O-N 2.85Å |
| 371 | Y | 77.9 | Confident | 75.4 | Confident | 156 Ų | 156 | 95.7 Ų | 95.7 | 61% | 0.612 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 173.6 | -75.3 | -45.6 | 0 | 0 | 0 | 112.5 | L367 V368 K369 E374 L375 | L367-Y371 HydrophobicContact CD1-CE2 3.96Å; L367-Y371 HydrophobicContact CD2-CE2 4.1Å; L367-Y371 HydrophobicContact CG-CD2 4.12Å; L367-Y371 HydrophobicContact CG-CE2 3.68Å; L367-Y371 VanDerWaalsContact O-CD2 3.29Å; L367-Y371 WeakPolarHBondContact O-CD2 3.39Å; L367-Y371 PolarHBondContact O-N 3.06Å; V368-Y371 PolarHBondContact O-N 3.11Å; K369-Y371 PolarHBondContact O-N 3.49Å; Y371-E374 PolarHBondContact O-N 3.33Å; Y371-L375 WeakPolarHBondContact O-CB 2.94Å; Y371-L375 PolarHBondContact O-N 3.23Å |
| 372 | N | 80.9 | Confident | 75.7 | Confident | 95 Ų | 95 | 94.2 Ų | 94.2 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 176.3 | -78.7 | -24.1 | 0 | 0 | 0 | 112.3 | V368 K369 G370 E374 L375 E376 | V368-N372 WeakPolarHBondContact O-CB 3.4Å; V368-N372 PolarHBondContact O-N 3.42Å; V368-N372 PolarHBondContact O-ND2 3.37Å; K369-N372 PolarHBondContact O-N 2.98Å; G370-N372 PolarHBondContact O-N 3.12Å; N372-E374 VanDerWaalsContact C-N 3.34Å; N372-E374 PolarHBondContact O-N 2.52Å; N372-L375 PolarHBondContact O-N 2.92Å; N372-E376 WeakPolarHBondContact O-CB 3.4Å; N372-E376 WeakPolarHBondContact O-CG 3.39Å; N372-E376 PolarHBondContact O-N 2.66Å |
| 373 | E | 79.6 | Confident | 76.2 | Confident | 111 Ų | 111 | 97.9 Ų | 97.9 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.4 | -73.8 | 172.9 | -173.1 | 0 | 0 | 111.8 | K369 G370 E376 R377 | K369-E373 VanDerWaalsContact CE-OE1 3.25Å; K369-E373 WeakPolarHBondContact CE-OE1 3.4Å; K369-E373 WeakPolarHBondContact O-CG 3.32Å; K369-E373 PolarHBondContact O-N 3.44Å; G370-E373 PolarHBondContact O-N 3.01Å; E373-E376 PolarHBondContact O-N 2.8Å; E373-R377 PolarHBondContact O-N 3.4Å |
| 374 | E | 77.4 | Confident | 76.1 | Confident | 80 Ų | 80 | 98.9 Ų | 98.9 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 176.1 | -166.4 | 67.1 | -170.5 | 0 | 0 | 111.8 | G370 Y371 N372 E376 R377 L378 | G370-E374 PolarHBondContact O-N 2.85Å; Y371-E374 PolarHBondContact O-N 3.33Å; N372-E374 VanDerWaalsContact C-N 3.34Å; N372-E374 PolarHBondContact O-N 2.52Å; E374-E376 VanDerWaalsContact C-N 3.3Å; E374-E376 PolarHBondContact O-N 3.01Å; E374-R377 PolarHBondContact O-N 2.95Å; E374-R377 IonicContact OE1-CZ 3.82Å; E374-R377 IonicContact OE1-NH1 3.59Å; E374-R377 PolarHBondContact OE1-NH1 3.04Å; E374-R377 IonicContact OE1-NH2 2.68Å; E374-R377 PolarHBondContact OE1-NH2 3.06Å; E374-R377 IonicContact OE2-CZ 3.55Å; E374-R377 IonicContact OE2-NH1 3.63Å; E374-R377 PolarHBondContact OE2-NH1 2.84Å; E374-L378 HydrophobicContact CG-CD1 4.2Å; E374-L378 WeakPolarHBondContact O-CB 3.45Å; E374-L378 WeakPolarHBondContact O-CG 3.31Å; E374-L378 PolarHBondContact O-N 2.67Å |
| 375 | L | 77.2 | Confident | 76.3 | Confident | 86 Ų | 86 | 96.4 Ų | 96.4 | 45% | 0.45 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 175.7 | -146.2 | 96.5 | 0 | 0 | 0 | 111 | Y371 N372 R379 | Y371-L375 WeakPolarHBondContact O-CB 2.94Å; Y371-L375 PolarHBondContact O-N 3.23Å; N372-L375 PolarHBondContact O-N 2.92Å; L375-R379 WeakPolarHBondContact O-CB 3.49Å; L375-R379 VanDerWaalsContact O-CG 3.25Å; L375-R379 WeakPolarHBondContact O-CG 3.46Å; L375-R379 PolarHBondContact O-N 3.16Å |
| 376 | E | 83.3 | Confident | 76.3 | Confident | 83 Ų | 83 | 101.6 Ų | 101.6 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.4 | -36.1 | 177.3 | -75.3 | -58.7 | 132.2 | 0 | 0 | 112.7 | N372 E373 E374 R379 R380 | N372-E376 WeakPolarHBondContact O-CB 3.4Å; N372-E376 WeakPolarHBondContact O-CG 3.39Å; N372-E376 PolarHBondContact O-N 2.66Å; E373-E376 PolarHBondContact O-N 2.8Å; E374-E376 VanDerWaalsContact C-N 3.3Å; E374-E376 PolarHBondContact O-N 3.01Å; E376-R379 IonicContact OE1-CZ 3.41Å; E376-R379 IonicContact OE1-NH1 2.8Å; E376-R379 PolarHBondContact OE1-NH1 3.05Å; E376-R380 WeakPolarHBondContact O-CG 3.11Å; E376-R380 PolarHBondContact O-N 2.89Å; E376-R380 VanDerWaalsContact O-N 3.09Å; E376-R380 PolarHBondContact O-NE 3.47Å |
| 377 | R | 79.7 | Confident | 76.2 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 171.7 | -165.7 | -173.2 | 93.8 | -134.7 | -8.6 | 110.8 | E373 E374 R379 R380 D381 | E373-R377 PolarHBondContact O-N 3.4Å; E374-R377 PolarHBondContact O-N 2.95Å; E374-R377 IonicContact OE1-CZ 3.82Å; E374-R377 IonicContact OE1-NH1 3.59Å; E374-R377 PolarHBondContact OE1-NH1 3.04Å; E374-R377 IonicContact OE1-NH2 2.68Å; E374-R377 PolarHBondContact OE1-NH2 3.06Å; E374-R377 IonicContact OE2-CZ 3.55Å; E374-R377 IonicContact OE2-NH1 3.63Å; E374-R377 PolarHBondContact OE2-NH1 2.84Å; R377-R379 VanDerWaalsContact C-N 3.33Å; R377-R379 PolarHBondContact O-N 3.32Å; R377-R380 WeakPolarHBondContact O-CB 3.48Å; R377-R380 PolarHBondContact O-N 3.41Å; R377-R380 VanDerWaalsContact O-N 3.15Å; R377-D381 IonicContact NE-OD2 3.06Å; R377-D381 PolarHBondContact O-N 3.04Å |
| 378 | L | 80.7 | Confident | 75.6 | Confident | 92 Ų | 92 | 106.9 Ų | 106.9 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 179.7 | -74.5 | 167.8 | 0 | 0 | 0 | 112.2 | E374 D381 L382 | E374-L378 HydrophobicContact CG-CD1 4.2Å; E374-L378 WeakPolarHBondContact O-CB 3.45Å; E374-L378 WeakPolarHBondContact O-CG 3.31Å; E374-L378 PolarHBondContact O-N 2.67Å; L378-D381 PolarHBondContact O-N 3.47Å; L378-L382 VanDerWaalsContact O-CB 3.27Å; L378-L382 WeakPolarHBondContact O-CB 3.46Å; L378-L382 PolarHBondContact O-N 3.29Å |
| 379 | R | 79.7 | Confident | 74.4 | Confident | 141 Ų | 141 | 109.8 Ų | 109.8 | 53% | 0.532 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 172.4 | -80.2 | 173 | 173.8 | 179.9 | -4.1 | 111.6 | L375 E376 R377 L382 E383 | L375-R379 WeakPolarHBondContact O-CB 3.49Å; L375-R379 VanDerWaalsContact O-CG 3.25Å; L375-R379 WeakPolarHBondContact O-CG 3.46Å; L375-R379 PolarHBondContact O-N 3.16Å; E376-R379 IonicContact OE1-CZ 3.41Å; E376-R379 IonicContact OE1-NH1 2.8Å; E376-R379 PolarHBondContact OE1-NH1 3.05Å; R377-R379 VanDerWaalsContact C-N 3.33Å; R377-R379 PolarHBondContact O-N 3.32Å; R379-L382 PolarHBondContact O-N 3.17Å; R379-E383 WeakPolarHBondContact O-CB 3.41Å; R379-E383 PolarHBondContact O-N 3.37Å |
| 380 | R | 76.1 | Confident | 72.8 | Confident | 152 Ų | 152 | 107.7 Ų | 107.7 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.1 | -44.8 | 175.3 | -79.2 | 179.7 | -94.7 | 133.1 | -7.9 | 112.3 | E376 R377 L382 E383 A384 | E376-R380 WeakPolarHBondContact O-CG 3.11Å; E376-R380 PolarHBondContact O-N 2.89Å; E376-R380 VanDerWaalsContact O-N 3.09Å; E376-R380 PolarHBondContact O-NE 3.47Å; R377-R380 WeakPolarHBondContact O-CB 3.48Å; R377-R380 PolarHBondContact O-N 3.41Å; R377-R380 VanDerWaalsContact O-N 3.15Å; R380-L382 VanDerWaalsContact C-N 3.34Å; R380-L382 PolarHBondContact O-N 3.08Å; R380-E383 PolarHBondContact O-N 3.1Å; R380-A384 WeakPolarHBondContact O-CB 3.44Å; R380-A384 PolarHBondContact O-N 3.44Å |
| 381 | D | 76.2 | Confident | 71.8 | Confident | 87 Ų | 87 | 113 Ų | 113 | 47% | 0.465 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.7 | -39.7 | 178.5 | -66.6 | -17.6 | 0 | 0 | 0 | 111.5 | R377 L378 A385 | R377-D381 IonicContact NE-OD2 3.06Å; R377-D381 PolarHBondContact O-N 3.04Å; L378-D381 PolarHBondContact O-N 3.47Å; D381-A385 WeakPolarHBondContact O-CB 3.38Å; D381-A385 PolarHBondContact O-N 3.28Å |
| 382 | L | 73.7 | Confident | 70.4 | Confident | 97 Ų | 97 | 115.8 Ų | 115.8 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.4 | -37.6 | 179.1 | -153.2 | 158.8 | 0 | 0 | 0 | 111.8 | L378 R379 R380 A385 R386 | L378-L382 VanDerWaalsContact O-CB 3.27Å; L378-L382 WeakPolarHBondContact O-CB 3.46Å; L378-L382 PolarHBondContact O-N 3.29Å; R379-L382 PolarHBondContact O-N 3.17Å; R380-L382 VanDerWaalsContact C-N 3.34Å; R380-L382 PolarHBondContact O-N 3.08Å; L382-A385 PolarHBondContact O-N 3.47Å; L382-R386 HydrophobicContact CD2-CG 4.14Å; L382-R386 WeakPolarHBondContact O-CB 3.37Å; L382-R386 WeakPolarHBondContact O-CG 3.29Å; L382-R386 PolarHBondContact O-N 3.44Å |
| 383 | E | 75.8 | Confident | 69.1 | Low | 131 Ų | 131 | 114.5 Ų | 114.5 | 61% | 0.612 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.1 | -42.1 | 174.6 | -165 | 117.7 | -140.2 | 0 | 0 | 111.8 | R379 R380 A385 R386 T387 | R379-E383 WeakPolarHBondContact O-CB 3.41Å; R379-E383 PolarHBondContact O-N 3.37Å; R380-E383 PolarHBondContact O-N 3.1Å; E383-A385 VanDerWaalsContact C-N 3.35Å; E383-A385 PolarHBondContact O-N 3.03Å; E383-R386 PolarHBondContact O-N 2.83Å; E383-T387 HydrophobicContact CG-CG2 4.48Å; E383-T387 WeakPolarHBondContact O-CB 3.4Å; E383-T387 WeakPolarHBondContact O-CG2 3.2Å; E383-T387 PolarHBondContact O-N 3.3Å; E383-T387 PolarHBondContact O-OG1 2.96Å |
| 384 | A | 68.9 | Low | 68.4 | Low | 55 Ų | 55 | 113.3 Ų | 113.3 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.4 | -42.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R380 R386 K388 | R380-A384 WeakPolarHBondContact O-CB 3.44Å; R380-A384 PolarHBondContact O-N 3.44Å; A384-R386 PolarHBondContact O-N 2.99Å; A384-K388 PolarHBondContact O-N 3.46Å |
| 385 | A | 71 | Confident | 67.8 | Low | 76 Ų | 76 | 115.1 Ų | 115.1 | 63% | 0.628 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -36.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | D381 L382 E383 | D381-A385 WeakPolarHBondContact O-CB 3.38Å; D381-A385 PolarHBondContact O-N 3.28Å; L382-A385 PolarHBondContact O-N 3.47Å; E383-A385 VanDerWaalsContact C-N 3.35Å; E383-A385 PolarHBondContact O-N 3.03Å |
| 386 | R | 73.3 | Confident | 67.3 | Low | 202 Ų | 202 | 117.9 Ų | 117.9 | 76% | 0.762 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.5 | -42.4 | 178.4 | -83.9 | -178.2 | 172.3 | -179.6 | -0.7 | 113.5 | L382 E383 A384 K388 | L382-R386 HydrophobicContact CD2-CG 4.14Å; L382-R386 WeakPolarHBondContact O-CB 3.37Å; L382-R386 WeakPolarHBondContact O-CG 3.29Å; L382-R386 PolarHBondContact O-N 3.44Å; E383-R386 PolarHBondContact O-N 2.83Å; A384-R386 PolarHBondContact O-N 2.99Å; R386-K388 VanDerWaalsContact C-N 3.33Å; R386-K388 PolarHBondContact O-N 2.85Å |
| 387 | T | 69.5 | Low | 66.7 | Low | 70 Ų | 70 | 117.8 Ų | 117.8 | 43% | 0.429 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -78.2 | -15.9 | -172.8 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | E383 N389 | E383-T387 HydrophobicContact CG-CG2 4.48Å; E383-T387 WeakPolarHBondContact O-CB 3.4Å; E383-T387 WeakPolarHBondContact O-CG2 3.2Å; E383-T387 PolarHBondContact O-N 3.3Å; E383-T387 PolarHBondContact O-OG1 2.96Å; T387-N389 PolarHBondContact O-N 3.27Å; T387-N389 PolarHBondContact O-OD1 2.92Å |
| 388 | K | 59 | Low | 66.2 | Low | 190 Ų | 190 | 118 Ų | 118 | 83% | 0.826 | 59% | 0.594 | S | S | * | * | trans | 50.3 | 16.3 | -178.2 | -66.7 | -173.6 | 176.6 | -177.6 | 0 | 114.3 | A384 R386 G390 | A384-K388 PolarHBondContact O-N 3.46Å; R386-K388 VanDerWaalsContact C-N 3.33Å; R386-K388 PolarHBondContact O-N 2.85Å; K388-G390 PolarHBondContact O-N 3.24Å | ||
| 389 | N | 50.1 | Low | 66 | Low | 135 Ų | 135 | 119.1 Ų | 119.1 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | trans | -81.7 | 114.3 | -179.6 | -77.8 | -18.7 | 0 | 0 | 0 | 108.9 | T387 | T387-N389 PolarHBondContact O-N 3.27Å; T387-N389 PolarHBondContact O-OD1 2.92Å | ||
| 390 | G | 43.3 | Very low | 65.8 | Low | 79 Ų | 79 | 117.7 Ų | 117.7 | 81% | 0.814 | 60% | 0.598 | S | S | * | * | trans | -60.5 | 145.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K388 | K388-G390 PolarHBondContact O-N 3.24Š| ||
| 391 | I | 54.7 | Low | 65.9 | Low | 146 Ų | 146 | 114.5 Ų | 114.5 | 75% | 0.749 | 59% | 0.591 | S | S | * | * | trans | -87.2 | 124.9 | 178.6 | -61.5 | 169.4 | 0 | 0 | 0 | 108.7 | V393 | I391-V393 HydrophobicContact CG2-CG2 4.08Å; I391-V393 PolarHBondContact O-N 2.93Å | ||
| 392 | F | 47.9 | Very low | 66 | Low | 215 Ų | 215 | 114.9 Ų | 114.9 | 94% | 0.943 | 59% | 0.59 | S | S | * | * | trans | -70.8 | 104.8 | 169.4 | -131 | -93.4 | 0 | 0 | 0 | 108.2 | ||||
| 393 | V | 53 | Low | 66.4 | Low | 67 Ų | 67 | 113.3 Ų | 113.3 | 41% | 0.406 | 59% | 0.588 | S | S | . | * | trans | -95 | 128.7 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 108 | I391 E395 N397 | I391-V393 HydrophobicContact CG2-CG2 4.08Å; I391-V393 PolarHBondContact O-N 2.93Å; V393-E395 PolarHBondContact O-N 2.85Å; V393-N397 HydrophobicContact CG1-CB 3.5Å | ||
| 394 | N | 64.9 | Low | 66.7 | Low | 86 Ų | 86 | 111.9 Ų | 111.9 | 46% | 0.46 | 58% | 0.581 | S | S | . | * | trans | -46 | 133.9 | 169.3 | 162.6 | -1.7 | 0 | 0 | 0 | 110.2 | E396 N397 Y398 | N394-E396 PolarHBondContact O-N 3.27Å; N394-E396 VanDerWaalsContact O-N 3.12Å; N394-E396 VanDerWaalsContact OD1-CB 3.32Å; N394-E396 WeakPolarHBondContact OD1-CB 3.34Å; N394-E396 PolarHBondContact OD1-N 3.44Å; N394-N397 HydrophobicContact CB-CB 4.34Å; N394-N397 CarbonylContact O-C 3.54Å; N394-N397 WeakPolarHBondContact O-CA 3.41Å; N394-N397 WeakPolarHBondContact O-CB 3.36Å; N394-N397 PolarHBondContact O-N 3.27Å; N394-Y398 PolarHBondContact O-N 2.68Å | ||
| 395 | E | 64.9 | Low | 67.3 | Low | 118 Ų | 118 | 112.9 Ų | 112.9 | 55% | 0.551 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -45.8 | -41.3 | 177.6 | -176.1 | 58.9 | -149.9 | 0 | 0 | 113.5 | V393 Y398 Q399 | V393-E395 PolarHBondContact O-N 2.85Å; E395-Y398 PolarHBondContact O-N 3.36Å; E395-Q399 WeakPolarHBondContact O-CB 3.34Å; E395-Q399 VanDerWaalsContact O-CG 3.3Å; E395-Q399 WeakPolarHBondContact O-CG 3.26Å; E395-Q399 PolarHBondContact O-N 2.84Å; E395-Q399 PolarHBondContact OE1-NE2 3.26Å |
| 396 | E | 67.2 | Low | 68 | Low | 144 Ų | 144 | 111.6 Ų | 111.6 | 67% | 0.673 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.7 | -40.9 | 178.9 | -152.9 | 173 | -149.5 | 0 | 0 | 111.8 | N394 M400 | N394-E396 PolarHBondContact O-N 3.27Å; N394-E396 VanDerWaalsContact O-N 3.12Å; N394-E396 VanDerWaalsContact OD1-CB 3.32Å; N394-E396 WeakPolarHBondContact OD1-CB 3.34Å; N394-E396 PolarHBondContact OD1-N 3.44Å; E396-M400 WeakPolarHBondContact O-CB 3.49Å; E396-M400 PolarHBondContact O-N 2.84Å |
| 397 | N | 70.6 | Confident | 68.5 | Low | 82 Ų | 82 | 108 Ų | 108 | 44% | 0.439 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.4 | -33.6 | 174.3 | -74.7 | -12.9 | 0 | 0 | 0 | 111.8 | V393 N394 M400 L401 | V393-N397 HydrophobicContact CG1-CB 3.5Å; N394-N397 HydrophobicContact CB-CB 4.34Å; N394-N397 CarbonylContact O-C 3.54Å; N394-N397 WeakPolarHBondContact O-CA 3.41Å; N394-N397 WeakPolarHBondContact O-CB 3.36Å; N394-N397 PolarHBondContact O-N 3.27Å; N397-M400 PolarHBondContact O-N 2.75Å; N397-L401 VanDerWaalsContact O-CB 3.32Å; N397-L401 WeakPolarHBondContact O-CB 3.45Å; N397-L401 PolarHBondContact O-N 2.99Å |
| 398 | Y | 69.5 | Low | 69.2 | Low | 113 Ų | 113 | 110 Ų | 110 | 44% | 0.443 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.5 | -43.3 | 175.5 | -178.8 | -102.9 | 0 | 0 | 0 | 111.2 | N394 E395 L401 Q402 | N394-Y398 PolarHBondContact O-N 2.68Å; E395-Y398 PolarHBondContact O-N 3.36Å; Y398-L401 PolarHBondContact O-N 3.29Å; Y398-Q402 HydrophobicContact CD1-CG 4.19Å; Y398-Q402 HydrophobicContact CE1-CG 3.81Å; Y398-Q402 HydrophobicContact CE2-CG 4.41Å; Y398-Q402 WeakPolarHBondContact O-CB 3.21Å; Y398-Q402 WeakPolarHBondContact O-CG 3.4Å; Y398-Q402 PolarHBondContact O-N 3.47Å; Y398-Q402 PolarHBondContact OH-NE2 3.29Å |
| 399 | Q | 75.9 | Confident | 70.6 | Confident | 115 Ų | 115 | 109.8 Ų | 109.8 | 54% | 0.537 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -40.6 | 174 | -72.9 | 179.2 | 16.5 | 0 | 0 | 111.8 | E395 Q402 S403 | E395-Q399 WeakPolarHBondContact O-CB 3.34Å; E395-Q399 VanDerWaalsContact O-CG 3.3Å; E395-Q399 WeakPolarHBondContact O-CG 3.26Å; E395-Q399 PolarHBondContact O-N 2.84Å; E395-Q399 PolarHBondContact OE1-NE2 3.26Å; Q399-Q402 PolarHBondContact O-N 3.24Å; Q399-S403 WeakPolarHBondContact O-CB 3.47Å; Q399-S403 PolarHBondContact O-N 3.01Å |
| 400 | M | 76.5 | Confident | 72.4 | Confident | 112 Ų | 112 | 108.2 Ų | 108.2 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -40.9 | 175 | -170.1 | 169.5 | 66 | 0 | 0 | 112 | E396 N397 S403 Q404 | E396-M400 WeakPolarHBondContact O-CB 3.49Å; E396-M400 PolarHBondContact O-N 2.84Å; N397-M400 PolarHBondContact O-N 2.75Å; M400-S403 PolarHBondContact O-N 3.07Å; M400-Q404 PolarHBondContact O-N 2.84Å |
| 401 | L | 77.2 | Confident | 74.5 | Confident | 85 Ų | 85 | 112.7 Ų | 112.7 | 45% | 0.445 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 176 | -176.5 | 64.8 | 0 | 0 | 0 | 111.9 | N397 Y398 S403 Q404 L405 | N397-L401 VanDerWaalsContact O-CB 3.32Å; N397-L401 WeakPolarHBondContact O-CB 3.45Å; N397-L401 PolarHBondContact O-N 2.99Å; Y398-L401 PolarHBondContact O-N 3.29Å; L401-S403 VanDerWaalsContact C-N 3.33Å; L401-Q404 PolarHBondContact O-N 3.35Å; L401-L405 HydrophobicContact CG-CD1 4.15Å; L401-L405 WeakPolarHBondContact O-CB 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 3.49Å |
| 402 | Q | 79.5 | Confident | 76 | Confident | 95 Ų | 95 | 110.1 Ų | 110.1 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 172.5 | -80.5 | -84.7 | 3.9 | 0 | 0 | 111.2 | Y398 Q399 L405 A406 | Y398-Q402 HydrophobicContact CD1-CG 4.19Å; Y398-Q402 HydrophobicContact CE1-CG 3.81Å; Y398-Q402 HydrophobicContact CE2-CG 4.41Å; Y398-Q402 WeakPolarHBondContact O-CB 3.21Å; Y398-Q402 WeakPolarHBondContact O-CG 3.4Å; Y398-Q402 PolarHBondContact O-N 3.47Å; Y398-Q402 PolarHBondContact OH-NE2 3.29Å; Q399-Q402 PolarHBondContact O-N 3.24Å; Q402-L405 PolarHBondContact O-N 3.01Å; Q402-A406 WeakPolarHBondContact O-CB 3.1Å; Q402-A406 PolarHBondContact O-N 3.41Å |
| 403 | S | 81.4 | Confident | 77.8 | Confident | 64 Ų | 64 | 103.2 Ų | 103.2 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.9 | -172.2 | 0 | 0 | 0 | 0 | 112 | Q399 M400 L401 A406 Q407 | Q399-S403 WeakPolarHBondContact O-CB 3.47Å; Q399-S403 PolarHBondContact O-N 3.01Å; M400-S403 PolarHBondContact O-N 3.07Å; L401-S403 VanDerWaalsContact C-N 3.33Å; S403-A406 PolarHBondContact O-N 2.84Å; S403-Q407 WeakPolarHBondContact O-CG 3.07Å; S403-Q407 PolarHBondContact O-N 2.93Å |
| 404 | Q | 82 | Confident | 79.4 | Confident | 101 Ų | 101 | 105.6 Ų | 105.6 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 174.7 | -83.1 | -172.2 | -15.8 | 0 | 0 | 112.4 | M400 L401 A406 Q407 Q408 | M400-Q404 PolarHBondContact O-N 2.84Å; L401-Q404 PolarHBondContact O-N 3.35Å; Q404-A406 VanDerWaalsContact C-N 3.32Å; Q404-A406 PolarHBondContact O-N 3.49Å; Q404-Q407 PolarHBondContact O-N 3.21Å; Q404-Q408 WeakPolarHBondContact O-CB 3.3Å; Q404-Q408 VanDerWaalsContact O-CG 3.32Å; Q404-Q408 WeakPolarHBondContact O-CG 3.44Å; Q404-Q408 PolarHBondContact O-N 3.41Å |
| 405 | L | 82.4 | Confident | 80.5 | Confident | 76 Ų | 76 | 106.8 Ų | 106.8 | 40% | 0.398 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.5 | -80 | 165.7 | 0 | 0 | 0 | 111.4 | L401 Q402 Q408 R409 | L401-L405 HydrophobicContact CG-CD1 4.15Å; L401-L405 WeakPolarHBondContact O-CB 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 3.49Å; Q402-L405 PolarHBondContact O-N 3.01Å; L405-Q408 PolarHBondContact O-N 2.99Å; L405-R409 WeakPolarHBondContact O-CB 3.33Å; L405-R409 VanDerWaalsContact O-CG 3.3Å; L405-R409 WeakPolarHBondContact O-CG 3.26Å; L405-R409 PolarHBondContact O-N 3.33Å |
| 406 | A | 85.6 | Confident | 81.5 | Confident | 49 Ų | 49 | 106.6 Ų | 106.6 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q402 S403 Q404 Q408 R409 I410 | Q402-A406 WeakPolarHBondContact O-CB 3.1Å; Q402-A406 PolarHBondContact O-N 3.41Å; S403-A406 PolarHBondContact O-N 2.84Å; Q404-A406 VanDerWaalsContact C-N 3.32Å; Q404-A406 PolarHBondContact O-N 3.49Å; A406-Q408 PolarHBondContact O-N 3Å; A406-R409 PolarHBondContact O-N 3.28Å; A406-I410 WeakPolarHBondContact O-CG1 3.44Å; A406-I410 PolarHBondContact O-N 3.18Å |
| 407 | Q | 83.8 | Confident | 82.5 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 175.2 | -75 | 178.2 | 0.4 | 0 | 0 | 112.3 | S403 Q404 I410 R411 | S403-Q407 WeakPolarHBondContact O-CG 3.07Å; S403-Q407 PolarHBondContact O-N 2.93Å; Q404-Q407 PolarHBondContact O-N 3.21Å; Q407-I410 PolarHBondContact O-N 3.45Å; Q407-R411 WeakPolarHBondContact O-CB 3.46Å; Q407-R411 PolarHBondContact O-N 3.03Å |
| 408 | Q | 84.7 | Confident | 83.3 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 176.4 | -76.4 | 180 | -5.7 | 0 | 0 | 111.6 | Q404 L405 A406 R411 I412 | Q404-Q408 WeakPolarHBondContact O-CB 3.3Å; Q404-Q408 VanDerWaalsContact O-CG 3.32Å; Q404-Q408 WeakPolarHBondContact O-CG 3.44Å; Q404-Q408 PolarHBondContact O-N 3.41Å; L405-Q408 PolarHBondContact O-N 2.99Å; A406-Q408 PolarHBondContact O-N 3Å; Q408-R411 PolarHBondContact O-N 2.93Å; Q408-I412 VanDerWaalsContact O-CG1 3.26Å; Q408-I412 WeakPolarHBondContact O-CG1 3.34Å; Q408-I412 PolarHBondContact O-N 2.91Å |
| 409 | R | 87.3 | Confident | 84.1 | Confident | 186 Ų | 186 | 110.2 Ų | 110.2 | 70% | 0.702 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 175.5 | -76.6 | 178.1 | 179.1 | -156.1 | 0.2 | 112.3 | L405 A406 R411 I412 C413 | L405-R409 WeakPolarHBondContact O-CB 3.33Å; L405-R409 VanDerWaalsContact O-CG 3.3Å; L405-R409 WeakPolarHBondContact O-CG 3.26Å; L405-R409 PolarHBondContact O-N 3.33Å; A406-R409 PolarHBondContact O-N 3.28Å; R409-R411 VanDerWaalsContact C-N 3.3Å; R409-R411 PolarHBondContact O-N 3.05Å; R409-I412 PolarHBondContact O-N 3.15Å; R409-C413 PolarHBondContact O-N 3.43Å |
| 410 | I | 88.1 | Confident | 84.7 | Confident | 102 Ų | 102 | 111.2 Ų | 111.2 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 174.1 | -67.1 | 165.5 | 0 | 0 | 0 | 109.9 | A406 Q407 I412 C413 E414 | A406-I410 WeakPolarHBondContact O-CG1 3.44Å; A406-I410 PolarHBondContact O-N 3.18Å; Q407-I410 PolarHBondContact O-N 3.45Å; I410-I412 VanDerWaalsContact C-N 3.34Å; I410-I412 PolarHBondContact O-N 2.93Å; I410-C413 WeakPolarHBondContact O-CB 3.31Å; I410-C413 PolarHBondContact O-N 3.19Å; I410-E414 HydrophobicContact CG2-CG 4.48Å; I410-E414 WeakPolarHBondContact O-CG 3.46Å; I410-E414 PolarHBondContact O-N 2.87Å |
| 411 | R | 86.7 | Confident | 85.3 | Confident | 172 Ų | 172 | 109.7 Ų | 109.7 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.7 | -34.1 | 179.8 | -165.4 | 166.6 | -169.7 | 158 | 4 | 113.4 | Q407 Q408 R409 L415 | Q407-R411 WeakPolarHBondContact O-CB 3.46Å; Q407-R411 PolarHBondContact O-N 3.03Å; Q408-R411 PolarHBondContact O-N 2.93Å; R409-R411 VanDerWaalsContact C-N 3.3Å; R409-R411 PolarHBondContact O-N 3.05Å; R411-L415 HydrophobicContact CG-CD1 4.34Å; R411-L415 WeakPolarHBondContact O-CB 3.28Å; R411-L415 WeakPolarHBondContact O-CG 3.39Å; R411-L415 PolarHBondContact O-N 2.89Å |
| 412 | I | 86.1 | Confident | 85.7 | Confident | 92 Ų | 92 | 109.1 Ų | 109.1 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 173.3 | -72.1 | 164.9 | 0 | 0 | 0 | 109.7 | Q408 R409 I410 E414 L415 E416 | Q408-I412 VanDerWaalsContact O-CG1 3.26Å; Q408-I412 WeakPolarHBondContact O-CG1 3.34Å; Q408-I412 PolarHBondContact O-N 2.91Å; R409-I412 PolarHBondContact O-N 3.15Å; I410-I412 VanDerWaalsContact C-N 3.34Å; I410-I412 PolarHBondContact O-N 2.93Å; I412-E414 PolarHBondContact O-N 3.16Å; I412-L415 PolarHBondContact O-N 3.45Å; I412-E416 HydrophobicContact CG2-CG 4.36Å; I412-E416 WeakPolarHBondContact O-CG 3.37Å; I412-E416 PolarHBondContact O-N 3.04Å |
| 413 | C | 85.7 | Confident | 86.1 | Confident | 71 Ų | 71 | 109.1 Ų | 109.1 | 48% | 0.48 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.3 | -46.9 | 174.1 | -90.4 | 0 | 0 | 0 | 0 | 112.5 | R409 I410 L415 E416 E417 | R409-C413 PolarHBondContact O-N 3.43Å; I410-C413 WeakPolarHBondContact O-CB 3.31Å; I410-C413 PolarHBondContact O-N 3.19Å; C413-L415 VanDerWaalsContact C-N 3.28Å; C413-L415 PolarHBondContact O-N 3.49Å; C413-E416 PolarHBondContact O-N 3.16Å; C413-E417 PolarHBondContact O-N 3.33Å |
| 414 | E | 87.6 | Confident | 86.4 | Confident | 117 Ų | 117 | 112.1 Ų | 112.1 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.1 | -37.6 | 177.5 | -71.8 | 174.4 | 170.4 | 0 | 0 | 112.3 | I410 I412 R418 | I410-E414 HydrophobicContact CG2-CG 4.48Å; I410-E414 WeakPolarHBondContact O-CG 3.46Å; I410-E414 PolarHBondContact O-N 2.87Å; I412-E414 PolarHBondContact O-N 3.16Å; E414-R418 VanDerWaalsContact O-CB 3.28Å; E414-R418 WeakPolarHBondContact O-CB 3.5Å; E414-R418 PolarHBondContact O-N 3.31Å |
| 415 | L | 87.5 | Confident | 86.6 | Confident | 111 Ų | 111 | 111.9 Ų | 111.9 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -74.3 | -33.2 | 177.7 | -72.5 | 172.3 | 0 | 0 | 0 | 112.5 | R411 I412 C413 R418 R419 | R411-L415 HydrophobicContact CG-CD1 4.34Å; R411-L415 WeakPolarHBondContact O-CB 3.28Å; R411-L415 WeakPolarHBondContact O-CG 3.39Å; R411-L415 PolarHBondContact O-N 2.89Å; I412-L415 PolarHBondContact O-N 3.45Å; C413-L415 VanDerWaalsContact C-N 3.28Å; C413-L415 PolarHBondContact O-N 3.49Å; L415-R418 PolarHBondContact O-N 3.28Å; L415-R419 WeakPolarHBondContact O-CB 3.49Å; L415-R419 PolarHBondContact O-N 3.1Å |
| 416 | E | 86.6 | Confident | 86.8 | Confident | 113 Ų | 113 | 112.7 Ų | 112.7 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 173.7 | -74.7 | 176.1 | 165.8 | 0 | 0 | 111.1 | I412 C413 R418 R419 E420 | I412-E416 HydrophobicContact CG2-CG 4.36Å; I412-E416 WeakPolarHBondContact O-CG 3.37Å; I412-E416 PolarHBondContact O-N 3.04Å; C413-E416 PolarHBondContact O-N 3.16Å; E416-R418 VanDerWaalsContact C-N 3.34Å; E416-R418 PolarHBondContact O-N 3.08Å; E416-R419 WeakPolarHBondContact O-CB 3.4Å; E416-R419 PolarHBondContact O-N 3.05Å; E416-E420 PolarHBondContact O-N 2.78Å |
| 417 | E | 87.4 | Confident | 86.9 | Confident | 127 Ų | 127 | 112.7 Ų | 112.7 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.4 | -42.7 | 171.8 | -75 | -179.1 | 177.5 | 0 | 0 | 111.6 | C413 R419 E420 I421 | C413-E417 PolarHBondContact O-N 3.33Å; E417-R419 VanDerWaalsContact C-N 3.28Å; E417-R419 PolarHBondContact O-N 3.27Å; E417-E420 PolarHBondContact O-N 3.38Å; E417-I421 WeakPolarHBondContact O-CG1 3.38Å; E417-I421 PolarHBondContact O-N 3.42Å; E417-I421 VanDerWaalsContact O-N 3.1Å |
| 418 | R | 87.8 | Confident | 87.1 | Confident | 139 Ų | 139 | 112.6 Ų | 112.6 | 53% | 0.525 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 176.8 | -168.3 | 72.8 | -175.3 | 167.8 | 8.7 | 112 | E414 L415 E416 L422 | E414-R418 VanDerWaalsContact O-CB 3.28Å; E414-R418 WeakPolarHBondContact O-CB 3.5Å; E414-R418 PolarHBondContact O-N 3.31Å; L415-R418 PolarHBondContact O-N 3.28Å; E416-R418 VanDerWaalsContact C-N 3.34Å; E416-R418 PolarHBondContact O-N 3.08Å; R418-L422 HydrophobicContact CG-CD1 4.27Å; R418-L422 WeakPolarHBondContact O-CB 3.49Å; R418-L422 VanDerWaalsContact O-CG 3.29Å; R418-L422 WeakPolarHBondContact O-CG 3.43Å; R418-L422 PolarHBondContact O-N 3.35Å; R418-L422 VanDerWaalsContact O-N 3.08Å |
| 419 | R | 85.9 | Confident | 87.1 | Confident | 149 Ų | 149 | 111.8 Ų | 111.8 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.2 | -42.9 | 176.7 | 176.9 | -174.9 | 149.5 | -129 | -20.7 | 110.7 | L415 E416 E417 L422 E423 | L415-R419 WeakPolarHBondContact O-CB 3.49Å; L415-R419 PolarHBondContact O-N 3.1Å; E416-R419 WeakPolarHBondContact O-CB 3.4Å; E416-R419 PolarHBondContact O-N 3.05Å; E417-R419 VanDerWaalsContact C-N 3.28Å; E417-R419 PolarHBondContact O-N 3.27Å; R419-L422 PolarHBondContact O-N 3.16Å; R419-E423 HydrophobicContact CG-CG 4.43Å; R419-E423 IonicContact CZ-OE1 3.57Å; R419-E423 VanDerWaalsContact CZ-OE1 3.3Å; R419-E423 IonicContact NE-OE1 3.47Å; R419-E423 PolarHBondContact NE-OE1 3.18Å; R419-E423 IonicContact NH2-OE1 3.75Å; R419-E423 PolarHBondContact NH2-OE1 3.01Å; R419-E423 IonicContact NH2-OE2 2.85Å; R419-E423 WeakPolarHBondContact O-CB 3.29Å; R419-E423 WeakPolarHBondContact O-CG 3.45Å; R419-E423 PolarHBondContact O-N 2.88Å |
| 420 | E | 88 | Confident | 86.9 | Confident | 137 Ų | 137 | 108.9 Ų | 108.9 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62 | -45 | 177.9 | -166.4 | 171.1 | -169.3 | 0 | 0 | 111.6 | E416 E417 L422 E423 E424 | E416-E420 PolarHBondContact O-N 2.78Å; E417-E420 PolarHBondContact O-N 3.38Å; E420-L422 PolarHBondContact O-N 3.31Å; E420-E423 PolarHBondContact O-N 2.86Å; E420-E424 PolarHBondContact O-N 3.38Å |
| 421 | I | 89.2 | Confident | 86.9 | Confident | 79 Ų | 79 | 110.8 Ų | 110.8 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 174.8 | -63.4 | 166 | 0 | 0 | 0 | 111.5 | E417 E424 E425 | E417-I421 WeakPolarHBondContact O-CG1 3.38Å; E417-I421 PolarHBondContact O-N 3.42Å; E417-I421 VanDerWaalsContact O-N 3.1Å; I421-E424 PolarHBondContact O-N 3.21Å; I421-E425 WeakPolarHBondContact O-CG 3.39Å; I421-E425 PolarHBondContact O-N 3.34Å |
| 422 | L | 87.2 | Confident | 86.9 | Confident | 73 Ų | 73 | 108 Ų | 108 | 38% | 0.382 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.8 | -35.3 | 178.9 | -75.7 | 169.9 | 0 | 0 | 0 | 112.5 | R418 R419 E420 E424 E425 I426 | R418-L422 HydrophobicContact CG-CD1 4.27Å; R418-L422 WeakPolarHBondContact O-CB 3.49Å; R418-L422 VanDerWaalsContact O-CG 3.29Å; R418-L422 WeakPolarHBondContact O-CG 3.43Å; R418-L422 PolarHBondContact O-N 3.35Å; R418-L422 VanDerWaalsContact O-N 3.08Å; R419-L422 PolarHBondContact O-N 3.16Å; E420-L422 PolarHBondContact O-N 3.31Å; L422-E424 VanDerWaalsContact C-N 3.31Å; L422-E425 PolarHBondContact O-N 2.94Å; L422-I426 WeakPolarHBondContact O-CB 3.49Å; L422-I426 WeakPolarHBondContact O-CG1 3.21Å; L422-I426 PolarHBondContact O-N 3.23Å |
| 423 | E | 87.8 | Confident | 87 | Confident | 96 Ų | 96 | 109.2 Ų | 109.2 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 174 | -77.1 | 175.6 | -178.7 | 0 | 0 | 110.6 | R419 E420 I426 A427 | R419-E423 HydrophobicContact CG-CG 4.43Å; R419-E423 IonicContact CZ-OE1 3.57Å; R419-E423 VanDerWaalsContact CZ-OE1 3.3Å; R419-E423 IonicContact NE-OE1 3.47Å; R419-E423 PolarHBondContact NE-OE1 3.18Å; R419-E423 IonicContact NH2-OE1 3.75Å; R419-E423 PolarHBondContact NH2-OE1 3.01Å; R419-E423 IonicContact NH2-OE2 2.85Å; R419-E423 WeakPolarHBondContact O-CB 3.29Å; R419-E423 WeakPolarHBondContact O-CG 3.45Å; R419-E423 PolarHBondContact O-N 2.88Å; E420-E423 PolarHBondContact O-N 2.86Å; E423-I426 PolarHBondContact O-N 3.43Å; E423-A427 PolarHBondContact O-N 3.33Å |
| 424 | E | 87 | Confident | 87 | Confident | 126 Ų | 126 | 109.2 Ų | 109.2 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.9 | -43.9 | 173.8 | -164.2 | 176.3 | -175.7 | 0 | 0 | 112.6 | E420 I421 L422 I426 A427 Q428 | E420-E424 PolarHBondContact O-N 3.38Å; I421-E424 PolarHBondContact O-N 3.21Å; L422-E424 VanDerWaalsContact C-N 3.31Å; E424-I426 VanDerWaalsContact C-N 3.33Å; E424-I426 PolarHBondContact O-N 2.77Å; E424-A427 PolarHBondContact O-N 3.48Å; E424-Q428 WeakPolarHBondContact O-CG 3.35Å; E424-Q428 PolarHBondContact O-N 3.37Å |
| 425 | E | 85.4 | Confident | 87 | Confident | 96 Ų | 96 | 106.8 Ų | 106.8 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 174.2 | -75.2 | -178.8 | 175.2 | 0 | 0 | 111.9 | I421 L422 Q428 V429 | I421-E425 WeakPolarHBondContact O-CG 3.39Å; I421-E425 PolarHBondContact O-N 3.34Å; L422-E425 PolarHBondContact O-N 2.94Å; E425-Q428 PolarHBondContact O-N 3.45Å; E425-V429 VanDerWaalsContact O-CG2 3.31Å; E425-V429 WeakPolarHBondContact O-CG2 3.31Å; E425-V429 PolarHBondContact O-N 3.26Å |
| 426 | I | 88.2 | Confident | 86.7 | Confident | 93 Ų | 93 | 104.5 Ų | 104.5 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.5 | -73.1 | 167.5 | 0 | 0 | 0 | 110.7 | L422 E423 E424 V429 Q430 | L422-I426 WeakPolarHBondContact O-CB 3.49Å; L422-I426 WeakPolarHBondContact O-CG1 3.21Å; L422-I426 PolarHBondContact O-N 3.23Å; E423-I426 PolarHBondContact O-N 3.43Å; E424-I426 VanDerWaalsContact C-N 3.33Å; E424-I426 PolarHBondContact O-N 2.77Å; I426-V429 PolarHBondContact O-N 2.99Å; I426-Q430 HydrophobicContact CG2-CG 4.36Å; I426-Q430 WeakPolarHBondContact O-CB 3.45Å; I426-Q430 VanDerWaalsContact O-CG 3.31Å; I426-Q430 WeakPolarHBondContact O-CG 3.31Å; I426-Q430 PolarHBondContact O-N 3.04Å |
| 427 | A | 87.8 | Confident | 86.6 | Confident | 49 Ų | 49 | 104.5 Ų | 104.5 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E423 E424 V429 Q430 E431 | E423-A427 PolarHBondContact O-N 3.33Å; E424-A427 PolarHBondContact O-N 3.48Å; A427-V429 PolarHBondContact O-N 3.46Å; A427-Q430 PolarHBondContact O-N 3.06Å; A427-E431 PolarHBondContact O-N 3.38Å |
| 428 | Q | 86.7 | Confident | 86.6 | Confident | 124 Ų | 124 | 105.1 Ų | 105.1 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | 176 | -68.3 | 177.2 | 15.9 | 0 | 0 | 112.5 | E424 E425 E431 L432 | E424-Q428 WeakPolarHBondContact O-CG 3.35Å; E424-Q428 PolarHBondContact O-N 3.37Å; E425-Q428 PolarHBondContact O-N 3.45Å; Q428-E431 PolarHBondContact O-N 3.05Å; Q428-L432 WeakPolarHBondContact O-CB 3.4Å; Q428-L432 PolarHBondContact O-N 3.5Å |
| 429 | V | 84.7 | Confident | 86.5 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 58% | 0.582 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.9 | -36.6 | 177 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | E425 I426 A427 F433 | E425-V429 VanDerWaalsContact O-CG2 3.31Å; E425-V429 WeakPolarHBondContact O-CG2 3.31Å; E425-V429 PolarHBondContact O-N 3.26Å; I426-V429 PolarHBondContact O-N 2.99Å; A427-V429 PolarHBondContact O-N 3.46Å; V429-F433 VanDerWaalsContact O-CB 3.3Å; V429-F433 WeakPolarHBondContact O-CB 3.31Å; V429-F433 PolarHBondContact O-N 3.06Å |
| 430 | Q | 84.5 | Confident | 86.5 | Confident | 125 Ų | 125 | 101.2 Ų | 101.2 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 175 | -76.8 | 177.3 | -4.8 | 0 | 0 | 111.4 | I426 A427 F433 T434 | I426-Q430 HydrophobicContact CG2-CG 4.36Å; I426-Q430 WeakPolarHBondContact O-CB 3.45Å; I426-Q430 VanDerWaalsContact O-CG 3.31Å; I426-Q430 WeakPolarHBondContact O-CG 3.31Å; I426-Q430 PolarHBondContact O-N 3.04Å; A427-Q430 PolarHBondContact O-N 3.06Å; Q430-F433 WeakPolarHBondContact O-CB 3.47Å; Q430-F433 PolarHBondContact O-N 3.39Å; Q430-T434 PolarHBondContact O-N 3.23Å; Q430-T434 PolarHBondContact O-OG1 3.33Å; Q430-T434 VanDerWaalsContact O-OG1 3.09Å |
| 431 | E | 87.8 | Confident | 86.3 | Confident | 141 Ų | 141 | 97.9 Ų | 97.9 | 66% | 0.659 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | 176.8 | -171.2 | 141.8 | -170.6 | 0 | 0 | 112 | A427 Q428 F433 T434 V435 | A427-E431 PolarHBondContact O-N 3.38Å; Q428-E431 PolarHBondContact O-N 3.05Å; E431-F433 VanDerWaalsContact C-N 3.3Å; E431-F433 PolarHBondContact O-N 3.41Å; E431-T434 VanDerWaalsContact CA-OG1 3.3Å; E431-T434 WeakPolarHBondContact CA-OG1 3.46Å; E431-T434 PolarHBondContact O-N 3.36Å; E431-T434 PolarHBondContact O-OG1 2.9Å; E431-V435 WeakPolarHBondContact O-CG2 3.46Å; E431-V435 PolarHBondContact O-N 3.12Å; E431-V435 VanDerWaalsContact O-N 3.08Å |
| 432 | L | 86.9 | Confident | 86.2 | Confident | 113 Ų | 113 | 99.8 Ų | 99.8 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -38 | 173.3 | -176 | 64.2 | 0 | 0 | 0 | 112.2 | Q428 V435 T436 | Q428-L432 WeakPolarHBondContact O-CB 3.4Å; Q428-L432 PolarHBondContact O-N 3.5Å; L432-V435 PolarHBondContact O-N 2.92Å; L432-T436 PolarHBondContact O-N 2.93Å; L432-T436 PolarHBondContact O-OG1 3.44Å |
| 433 | F | 87 | Confident | 86 | Confident | 118 Ų | 118 | 100.9 Ų | 100.9 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.6 | -179.7 | -96.2 | 0 | 0 | 0 | 111.7 | V429 Q430 E431 T436 Q437 | V429-F433 VanDerWaalsContact O-CB 3.3Å; V429-F433 WeakPolarHBondContact O-CB 3.31Å; V429-F433 PolarHBondContact O-N 3.06Å; Q430-F433 WeakPolarHBondContact O-CB 3.47Å; Q430-F433 PolarHBondContact O-N 3.39Å; E431-F433 VanDerWaalsContact C-N 3.3Å; E431-F433 PolarHBondContact O-N 3.41Å; F433-T436 WeakPolarHBondContact CA-OG1 3.48Å; F433-T436 PolarHBondContact O-OG1 2.93Å; F433-Q437 VanDerWaalsContact O-CB 3.23Å; F433-Q437 WeakPolarHBondContact O-CB 3.41Å; F433-Q437 PolarHBondContact O-N 2.91Å |
| 434 | T | 86.4 | Confident | 85.9 | Confident | 71 Ų | 71 | 104.4 Ų | 104.4 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 175.1 | 34.2 | 0 | 0 | 0 | 0 | 112 | Q430 E431 Q437 E438 | Q430-T434 PolarHBondContact O-N 3.23Å; Q430-T434 PolarHBondContact O-OG1 3.33Å; Q430-T434 VanDerWaalsContact O-OG1 3.09Å; E431-T434 VanDerWaalsContact CA-OG1 3.3Å; E431-T434 WeakPolarHBondContact CA-OG1 3.46Å; E431-T434 PolarHBondContact O-N 3.36Å; E431-T434 PolarHBondContact O-OG1 2.9Å; T434-Q437 PolarHBondContact O-N 3.06Å; T434-E438 WeakPolarHBondContact O-CG 3.4Å; T434-E438 PolarHBondContact O-N 3.22Å; T434-E438 VanDerWaalsContact O-N 3.09Å |
| 435 | V | 87.7 | Confident | 85.9 | Confident | 67 Ų | 67 | 103.6 Ų | 103.6 | 41% | 0.406 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | E431 L432 Q437 E438 E439 | E431-V435 WeakPolarHBondContact O-CG2 3.46Å; E431-V435 PolarHBondContact O-N 3.12Å; E431-V435 VanDerWaalsContact O-N 3.08Å; L432-V435 PolarHBondContact O-N 2.92Å; V435-Q437 VanDerWaalsContact C-N 3.29Å; V435-Q437 PolarHBondContact O-N 3.02Å; V435-E438 PolarHBondContact O-N 3.33Å; V435-E439 PolarHBondContact O-N 2.91Å |
| 436 | T | 81 | Confident | 85.8 | Confident | 63 Ų | 63 | 107 Ų | 107 | 39% | 0.387 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.5 | -29.3 | 178.4 | 40.3 | 0 | 0 | 0 | 0 | 113.1 | L432 F433 L440 | L432-T436 PolarHBondContact O-N 2.93Å; L432-T436 PolarHBondContact O-OG1 3.44Å; F433-T436 WeakPolarHBondContact CA-OG1 3.48Å; F433-T436 PolarHBondContact O-OG1 2.93Å; T436-L440 VanDerWaalsContact O-CB 3.3Å; T436-L440 WeakPolarHBondContact O-CB 3.38Å; T436-L440 PolarHBondContact O-N 3.13Å |
| 437 | Q | 84.6 | Confident | 85.7 | Confident | 113 Ų | 113 | 108.6 Ų | 108.6 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 173.8 | -174.9 | 170.8 | 8.1 | 0 | 0 | 111.8 | F433 T434 V435 S441 | F433-Q437 VanDerWaalsContact O-CB 3.23Å; F433-Q437 WeakPolarHBondContact O-CB 3.41Å; F433-Q437 PolarHBondContact O-N 2.91Å; T434-Q437 PolarHBondContact O-N 3.06Å; V435-Q437 VanDerWaalsContact C-N 3.29Å; V435-Q437 PolarHBondContact O-N 3.02Å; Q437-S441 PolarHBondContact O-N 3.45Å; Q437-S441 VanDerWaalsContact O-N 3.11Å |
| 438 | E | 86.9 | Confident | 85.6 | Confident | 140 Ų | 140 | 111.8 Ų | 111.8 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.9 | -47.3 | 174.4 | -71.4 | 178.3 | 175.5 | 0 | 0 | 111.6 | T434 V435 L440 S441 E442 | T434-E438 WeakPolarHBondContact O-CG 3.4Å; T434-E438 PolarHBondContact O-N 3.22Å; T434-E438 VanDerWaalsContact O-N 3.09Å; V435-E438 PolarHBondContact O-N 3.33Å; E438-L440 VanDerWaalsContact C-N 3.32Å; E438-L440 PolarHBondContact O-N 3.1Å; E438-S441 WeakPolarHBondContact O-CB 3.32Å; E438-S441 PolarHBondContact O-N 3.2Å; E438-S441 VanDerWaalsContact O-N 3.08Å; E438-E442 PolarHBondContact O-N 3.39Å |
| 439 | E | 85.7 | Confident | 85.5 | Confident | 112 Ų | 112 | 111.3 Ų | 111.3 | 52% | 0.523 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 176.1 | -70.2 | 179.4 | 164.2 | 0 | 0 | 112.7 | V435 S441 E442 T443 | V435-E439 PolarHBondContact O-N 2.91Å; E439-S441 VanDerWaalsContact C-N 3.34Å; E439-E442 PolarHBondContact O-N 3.4Å; E439-T443 WeakPolarHBondContact O-CB 3.42Å; E439-T443 PolarHBondContact O-N 3.46Å; E439-T443 PolarHBondContact O-OG1 3.33Å |
| 440 | L | 85.7 | Confident | 85.5 | Confident | 94 Ų | 94 | 110.9 Ų | 110.9 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.5 | -171.4 | 89.2 | 0 | 0 | 0 | 111.2 | T436 E438 R444 | T436-L440 VanDerWaalsContact O-CB 3.3Å; T436-L440 WeakPolarHBondContact O-CB 3.38Å; T436-L440 PolarHBondContact O-N 3.13Å; E438-L440 VanDerWaalsContact C-N 3.32Å; E438-L440 PolarHBondContact O-N 3.1Å; L440-R444 WeakPolarHBondContact O-CB 3.49Å; L440-R444 WeakPolarHBondContact O-CG 3.45Å; L440-R444 PolarHBondContact O-N 2.91Å |
| 441 | S | 84.9 | Confident | 85.5 | Confident | 67 Ų | 67 | 109.5 Ų | 109.5 | 47% | 0.469 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 177.2 | -172.6 | 0 | 0 | 0 | 0 | 111 | Q437 E438 E439 R444 M445 | Q437-S441 PolarHBondContact O-N 3.45Å; Q437-S441 VanDerWaalsContact O-N 3.11Å; E438-S441 WeakPolarHBondContact O-CB 3.32Å; E438-S441 PolarHBondContact O-N 3.2Å; E438-S441 VanDerWaalsContact O-N 3.08Å; E439-S441 VanDerWaalsContact C-N 3.34Å; S441-R444 PolarHBondContact O-N 3.42Å; S441-M445 PolarHBondContact O-N 3.46Å |
| 442 | E | 87.1 | Confident | 85.4 | Confident | 119 Ų | 119 | 107.3 Ų | 107.3 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 177.4 | -165.7 | -177.7 | 169.5 | 0 | 0 | 111.5 | E438 E439 R444 M445 R446 | E438-E442 PolarHBondContact O-N 3.39Å; E439-E442 PolarHBondContact O-N 3.4Å; E442-R444 VanDerWaalsContact C-N 3.33Å; E442-R444 PolarHBondContact O-N 2.71Å; E442-M445 PolarHBondContact O-N 3.2Å; E442-R446 WeakPolarHBondContact O-CB 3.41Å; E442-R446 PolarHBondContact O-N 3.44Å |
| 443 | T | 83.1 | Confident | 85.4 | Confident | 95 Ų | 95 | 107.3 Ų | 107.3 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.2 | -38.2 | 177.6 | -56.1 | 0 | 0 | 0 | 0 | 112 | E439 R446 K447 | E439-T443 WeakPolarHBondContact O-CB 3.42Å; E439-T443 PolarHBondContact O-N 3.46Å; E439-T443 PolarHBondContact O-OG1 3.33Å; T443-R446 PolarHBondContact O-N 3.48Å; T443-K447 WeakPolarHBondContact O-CB 3.23Å; T443-K447 PolarHBondContact O-N 3.27Å |
| 444 | R | 84.4 | Confident | 85.4 | Confident | 171 Ų | 171 | 106.9 Ų | 106.9 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -44.3 | 176.3 | -81.4 | -179.4 | 178.9 | -170.9 | 1.7 | 112.2 | L440 S441 E442 R446 K447 E448 | L440-R444 WeakPolarHBondContact O-CB 3.49Å; L440-R444 WeakPolarHBondContact O-CG 3.45Å; L440-R444 PolarHBondContact O-N 2.91Å; S441-R444 PolarHBondContact O-N 3.42Å; E442-R444 VanDerWaalsContact C-N 3.33Å; E442-R444 PolarHBondContact O-N 2.71Å; R444-R446 VanDerWaalsContact C-N 3.35Å; R444-K447 PolarHBondContact O-N 3.31Å; R444-E448 PolarHBondContact O-N 3.07Å; R444-E448 VanDerWaalsContact O-N 3.07Å |
| 445 | M | 86.3 | Confident | 85.3 | Confident | 109 Ų | 109 | 109.1 Ų | 109.1 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 174.8 | -80.2 | 179.8 | 31.5 | 0 | 0 | 111.2 | S441 E442 K447 E448 E449 | S441-M445 PolarHBondContact O-N 3.46Å; E442-M445 PolarHBondContact O-N 3.2Å; M445-K447 VanDerWaalsContact C-N 3.29Å; M445-K447 PolarHBondContact O-N 3.36Å; M445-E448 PolarHBondContact O-N 3.43Å; M445-E448 VanDerWaalsContact O-N 3.13Å; M445-E449 WeakPolarHBondContact O-CG 3.3Å; M445-E449 PolarHBondContact O-N 3.47Å |
| 446 | R | 84.4 | Confident | 85.2 | Confident | 166 Ų | 166 | 108.3 Ų | 108.3 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.2 | -36.4 | 179.2 | -154.7 | 175.4 | -163.4 | 122.9 | 2.6 | 112.6 | E442 T443 R444 V450 | E442-R446 WeakPolarHBondContact O-CB 3.41Å; E442-R446 PolarHBondContact O-N 3.44Å; T443-R446 PolarHBondContact O-N 3.48Å; R444-R446 VanDerWaalsContact C-N 3.35Å; R446-V450 VanDerWaalsContact O-CG2 3.32Å; R446-V450 WeakPolarHBondContact O-CG2 3.36Å; R446-V450 PolarHBondContact O-N 3.35Å; R446-V450 VanDerWaalsContact O-N 3.11Å |
| 447 | K | 85.3 | Confident | 85.4 | Confident | 127 Ų | 127 | 112.9 Ų | 112.9 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.7 | -46.3 | 173.6 | -176.9 | -171.7 | 166.7 | -169.4 | 0 | 111.5 | T443 R444 M445 E449 V450 E451 | T443-K447 WeakPolarHBondContact O-CB 3.23Å; T443-K447 PolarHBondContact O-N 3.27Å; R444-K447 PolarHBondContact O-N 3.31Å; M445-K447 VanDerWaalsContact C-N 3.29Å; M445-K447 PolarHBondContact O-N 3.36Å; K447-E449 VanDerWaalsContact C-N 3.32Å; K447-E449 PolarHBondContact O-N 2.95Å; K447-V450 PolarHBondContact O-N 3.5Å; K447-E451 WeakPolarHBondContact CE-OE1 3.48Å; K447-E451 IonicContact NZ-OE1 3.54Å; K447-E451 PolarHBondContact NZ-OE1 3.38Å; K447-E451 WeakPolarHBondContact O-CG 2.88Å; K447-E451 PolarHBondContact O-N 3.17Å |
| 448 | E | 85.4 | Confident | 85.3 | Confident | 117 Ų | 117 | 111.5 Ų | 111.5 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 179.6 | -172.2 | 170.7 | -167.6 | 0 | 0 | 111.6 | R444 M445 N452 | R444-E448 PolarHBondContact O-N 3.07Å; R444-E448 VanDerWaalsContact O-N 3.07Å; M445-E448 PolarHBondContact O-N 3.43Å; M445-E448 VanDerWaalsContact O-N 3.13Å; E448-N452 WeakPolarHBondContact O-CB 3.3Å; E448-N452 VanDerWaalsContact O-CG 3.24Å; E448-N452 PolarHBondContact O-N 3.15Å; E448-N452 PolarHBondContact O-ND2 3.06Å |
| 449 | E | 86.6 | Confident | 85.1 | Confident | 114 Ų | 114 | 111.4 Ų | 111.4 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 172.1 | -73 | 175.4 | 169.7 | 0 | 0 | 111.9 | M445 K447 E451 N452 E453 | M445-E449 WeakPolarHBondContact O-CG 3.3Å; M445-E449 PolarHBondContact O-N 3.47Å; K447-E449 VanDerWaalsContact C-N 3.32Å; K447-E449 PolarHBondContact O-N 2.95Å; E449-E451 PolarHBondContact O-N 2.71Å; E449-N452 PolarHBondContact O-N 3.5Å; E449-E453 WeakPolarHBondContact O-CG 3.3Å; E449-E453 PolarHBondContact O-N 3.38Å |
| 450 | V | 84 | Confident | 85 | Confident | 87 Ų | 87 | 110.5 Ų | 110.5 | 53% | 0.527 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 179.5 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | R446 K447 E453 L454 | R446-V450 VanDerWaalsContact O-CG2 3.32Å; R446-V450 WeakPolarHBondContact O-CG2 3.36Å; R446-V450 PolarHBondContact O-N 3.35Å; R446-V450 VanDerWaalsContact O-N 3.11Å; K447-V450 PolarHBondContact O-N 3.5Å; V450-E453 PolarHBondContact O-N 3.48Å; V450-L454 WeakPolarHBondContact O-CB 3.24Å; V450-L454 PolarHBondContact O-N 3.41Å |
| 451 | E | 84.4 | Confident | 84.8 | Confident | 96 Ų | 96 | 111.8 Ų | 111.8 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 175.5 | -77.1 | 179.9 | 164.9 | 0 | 0 | 111.5 | K447 E449 L454 I455 | K447-E451 WeakPolarHBondContact CE-OE1 3.48Å; K447-E451 IonicContact NZ-OE1 3.54Å; K447-E451 PolarHBondContact NZ-OE1 3.38Å; K447-E451 WeakPolarHBondContact O-CG 2.88Å; K447-E451 PolarHBondContact O-N 3.17Å; E449-E451 PolarHBondContact O-N 2.71Å; E451-L454 PolarHBondContact O-N 3.47Å; E451-I455 WeakPolarHBondContact O-CG1 3.42Å; E451-I455 PolarHBondContact O-N 2.97Å; E451-I455 VanDerWaalsContact O-N 3.07Å |
| 452 | N | 86.1 | Confident | 84.6 | Confident | 94 Ų | 94 | 114.6 Ų | 114.6 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68 | -40.1 | 176.4 | -74.6 | -40.2 | 0 | 0 | 0 | 112.4 | E448 E449 I455 A456 | E448-N452 WeakPolarHBondContact O-CB 3.3Å; E448-N452 VanDerWaalsContact O-CG 3.24Å; E448-N452 PolarHBondContact O-N 3.15Å; E448-N452 PolarHBondContact O-ND2 3.06Å; E449-N452 PolarHBondContact O-N 3.5Å; N452-I455 PolarHBondContact O-N 3.41Å; N452-A456 PolarHBondContact O-N 3Å; N452-A456 VanDerWaalsContact O-N 3.1Å |
| 453 | E | 87.3 | Confident | 84.3 | Confident | 114 Ų | 114 | 112.4 Ų | 112.4 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 172.9 | -75.2 | -176 | 178.4 | 0 | 0 | 111.4 | E449 V450 I455 A456 Y457 | E449-E453 WeakPolarHBondContact O-CG 3.3Å; E449-E453 PolarHBondContact O-N 3.38Å; V450-E453 PolarHBondContact O-N 3.48Å; E453-I455 PolarHBondContact O-N 3.5Å; E453-A456 WeakPolarHBondContact O-CB 3.07Å; E453-A456 PolarHBondContact O-N 3.02Å; E453-Y457 HydrophobicContact CB-CD2 4.48Å; E453-Y457 HydrophobicContact CB-CE2 4.47Å; E453-Y457 WeakPolarHBondContact O-CD2 3.25Å; E453-Y457 PolarHBondContact O-N 3.06Å |
| 454 | L | 86 | Confident | 84.1 | Confident | 109 Ų | 109 | 112.9 Ų | 112.9 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 178 | -176.9 | 64.2 | 0 | 0 | 0 | 111.9 | V450 E451 A456 Y457 V458 | V450-L454 WeakPolarHBondContact O-CB 3.24Å; V450-L454 PolarHBondContact O-N 3.41Å; E451-L454 PolarHBondContact O-N 3.47Å; L454-A456 VanDerWaalsContact C-N 3.32Å; L454-A456 PolarHBondContact O-N 3.27Å; L454-Y457 PolarHBondContact O-N 3.15Å; L454-V458 WeakPolarHBondContact O-CG2 3.39Å; L454-V458 PolarHBondContact O-N 3.21Å |
| 455 | I | 85.5 | Confident | 83.7 | Confident | 118 Ų | 118 | 111.8 Ų | 111.8 | 61% | 0.605 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 176.5 | -68.8 | 166.4 | 0 | 0 | 0 | 110.9 | E451 N452 E453 K459 | E451-I455 WeakPolarHBondContact O-CG1 3.42Å; E451-I455 PolarHBondContact O-N 2.97Å; E451-I455 VanDerWaalsContact O-N 3.07Å; N452-I455 PolarHBondContact O-N 3.41Å; E453-I455 PolarHBondContact O-N 3.5Å; I455-K459 PolarHBondContact O-N 3.39Å |
| 456 | A | 85.5 | Confident | 83.5 | Confident | 50 Ų | 50 | 110 Ų | 110 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N452 E453 L454 V458 K459 D460 | N452-A456 PolarHBondContact O-N 3Å; N452-A456 VanDerWaalsContact O-N 3.1Å; E453-A456 WeakPolarHBondContact O-CB 3.07Å; E453-A456 PolarHBondContact O-N 3.02Å; L454-A456 VanDerWaalsContact C-N 3.32Å; L454-A456 PolarHBondContact O-N 3.27Å; A456-V458 PolarHBondContact O-N 2.7Å; A456-K459 PolarHBondContact O-N 3.28Å; A456-D460 PolarHBondContact O-N 2.96Å |
| 457 | Y | 83.3 | Confident | 83.1 | Confident | 159 Ų | 159 | 109.4 Ų | 109.4 | 62% | 0.624 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 178.5 | -83.2 | -63.4 | 0 | 0 | 0 | 113 | E453 L454 K459 D460 L461 | E453-Y457 HydrophobicContact CB-CD2 4.48Å; E453-Y457 HydrophobicContact CB-CE2 4.47Å; E453-Y457 WeakPolarHBondContact O-CD2 3.25Å; E453-Y457 PolarHBondContact O-N 3.06Å; L454-Y457 PolarHBondContact O-N 3.15Å; Y457-K459 VanDerWaalsContact C-N 3.33Å; Y457-K459 PolarHBondContact O-N 2.9Å; Y457-D460 PolarHBondContact O-N 3.46Å; Y457-L461 WeakPolarHBondContact O-CB 3.46Å; Y457-L461 PolarHBondContact O-N 3.42Å |
| 458 | V | 82.9 | Confident | 82.7 | Confident | 84 Ų | 84 | 109.6 Ų | 109.6 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L454 A456 D460 L461 E462 | L454-V458 WeakPolarHBondContact O-CG2 3.39Å; L454-V458 PolarHBondContact O-N 3.21Å; A456-V458 PolarHBondContact O-N 2.7Å; V458-D460 PolarHBondContact O-N 3.26Å; V458-L461 PolarHBondContact O-N 3Å; V458-E462 PolarHBondContact O-N 2.91Å |
| 459 | K | 84.4 | Confident | 82.4 | Confident | 138 Ų | 138 | 108.2 Ų | 108.2 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -40.5 | 177.7 | -169.9 | 178.3 | -177.7 | 179.3 | 0 | 112 | I455 A456 Y457 E462 N463 | I455-K459 PolarHBondContact O-N 3.39Å; A456-K459 PolarHBondContact O-N 3.28Å; Y457-K459 VanDerWaalsContact C-N 3.33Å; Y457-K459 PolarHBondContact O-N 2.9Å; K459-E462 PolarHBondContact O-N 3.4Å; K459-N463 WeakPolarHBondContact O-CB 3.42Å; K459-N463 VanDerWaalsContact O-CG 3.27Å; K459-N463 PolarHBondContact O-N 3.21Å; K459-N463 PolarHBondContact O-ND2 3.39Å |
| 460 | D | 82.5 | Confident | 82.1 | Confident | 92 Ų | 92 | 109.5 Ų | 109.5 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 177.7 | -76.6 | -15.4 | 0 | 0 | 0 | 112.4 | A456 Y457 V458 N463 L464 | A456-D460 PolarHBondContact O-N 2.96Å; Y457-D460 PolarHBondContact O-N 3.46Å; V458-D460 PolarHBondContact O-N 3.26Å; D460-N463 PolarHBondContact O-N 3.09Å; D460-L464 VanDerWaalsContact O-CB 3.27Å; D460-L464 WeakPolarHBondContact O-CB 3.43Å; D460-L464 PolarHBondContact O-N 3.32Å |
| 461 | L | 81 | Confident | 81.7 | Confident | 121 Ų | 121 | 111 Ų | 111 | 63% | 0.634 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 176.6 | -140.4 | 162 | 0 | 0 | 0 | 111.1 | Y457 V458 L464 R465 | Y457-L461 WeakPolarHBondContact O-CB 3.46Å; Y457-L461 PolarHBondContact O-N 3.42Å; V458-L461 PolarHBondContact O-N 3Å; L461-L464 PolarHBondContact O-N 3.31Å; L461-R465 WeakPolarHBondContact O-CB 3.45Å; L461-R465 PolarHBondContact O-N 3.01Å |
| 462 | E | 80.9 | Confident | 81.5 | Confident | 127 Ų | 127 | 111.7 Ų | 111.7 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.2 | -44.9 | 175.6 | -164.6 | 162.6 | -152.6 | 0 | 0 | 111.7 | V458 K459 L464 R465 V466 | V458-E462 PolarHBondContact O-N 2.91Å; K459-E462 PolarHBondContact O-N 3.4Å; E462-L464 VanDerWaalsContact C-N 3.33Å; E462-L464 PolarHBondContact O-N 3.48Å; E462-R465 PolarHBondContact O-N 3.37Å; E462-V466 WeakPolarHBondContact O-CG2 3.46Å; E462-V466 PolarHBondContact O-N 3.2Å |
| 463 | N | 81 | Confident | 81.1 | Confident | 72 Ų | 72 | 114.1 Ų | 114.1 | 39% | 0.385 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 173.3 | -74.9 | -30.9 | 0 | 0 | 0 | 112.6 | K459 D460 R467 | K459-N463 WeakPolarHBondContact O-CB 3.42Å; K459-N463 VanDerWaalsContact O-CG 3.27Å; K459-N463 PolarHBondContact O-N 3.21Å; K459-N463 PolarHBondContact O-ND2 3.39Å; D460-N463 PolarHBondContact O-N 3.09Å; N463-R467 WeakPolarHBondContact O-CB 3.37Å; N463-R467 WeakPolarHBondContact O-CG 3.47Å; N463-R467 PolarHBondContact O-N 3.21Å; N463-R467 VanDerWaalsContact O-N 3.08Å; N463-R467 PolarHBondContact O-NE 3.47Å |
| 464 | L | 78.8 | Confident | 80.6 | Confident | 106 Ų | 106 | 117.1 Ų | 117.1 | 56% | 0.555 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.9 | -40.9 | 176.7 | -174.4 | 63.6 | 0 | 0 | 0 | 111.1 | D460 L461 E462 R467 F468 | D460-L464 VanDerWaalsContact O-CB 3.27Å; D460-L464 WeakPolarHBondContact O-CB 3.43Å; D460-L464 PolarHBondContact O-N 3.32Å; L461-L464 PolarHBondContact O-N 3.31Å; E462-L464 VanDerWaalsContact C-N 3.33Å; E462-L464 PolarHBondContact O-N 3.48Å; L464-R467 PolarHBondContact O-N 3.01Å; L464-F468 WeakPolarHBondContact O-CB 3.33Å; L464-F468 PolarHBondContact O-N 3.49Å |
| 465 | R | 77 | Confident | 80.2 | Confident | 148 Ų | 148 | 119.3 Ų | 119.3 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.9 | -44.1 | 176.8 | 178.4 | 172.3 | 137 | 136.3 | -3.2 | 112.2 | L461 E462 F468 L469 | L461-R465 WeakPolarHBondContact O-CB 3.45Å; L461-R465 PolarHBondContact O-N 3.01Å; E462-R465 PolarHBondContact O-N 3.37Å; R465-F468 PolarHBondContact O-N 3.01Å; R465-L469 HydrophobicContact CG-CD1 4.48Å; R465-L469 PolarHBondContact O-N 3.01Å |
| 466 | V | 81.9 | Confident | 80.1 | Confident | 70 Ų | 70 | 116.1 Ų | 116.1 | 42% | 0.424 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.1 | 174 | 0 | 0 | 0 | 0 | 111.2 | E462 L469 K470 | E462-V466 WeakPolarHBondContact O-CG2 3.46Å; E462-V466 PolarHBondContact O-N 3.2Å; V466-L469 PolarHBondContact O-N 3.11Å; V466-K470 HydrophobicContact CG1-CD 4.42Å; V466-K470 WeakPolarHBondContact O-CG 3.49Å; V466-K470 PolarHBondContact O-N 3.49Å; V466-K470 VanDerWaalsContact O-N 3.09Å |
| 467 | R | 76.2 | Confident | 80 | Confident | 155 Ų | 155 | 115.2 Ų | 115.2 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 176.1 | -77.2 | -175.5 | -74.5 | -174.5 | -1.9 | 112.1 | N463 L464 L469 K470 L471 | N463-R467 WeakPolarHBondContact O-CB 3.37Å; N463-R467 WeakPolarHBondContact O-CG 3.47Å; N463-R467 PolarHBondContact O-N 3.21Å; N463-R467 VanDerWaalsContact O-N 3.08Å; N463-R467 PolarHBondContact O-NE 3.47Å; L464-R467 PolarHBondContact O-N 3.01Å; R467-L469 PolarHBondContact O-N 3Å; R467-K470 PolarHBondContact O-N 3.47Å; R467-L471 WeakPolarHBondContact O-CB 3.47Å; R467-L471 PolarHBondContact O-N 3.42Å |
| 468 | F | 76.5 | Confident | 79.7 | Confident | 131 Ų | 131 | 111.6 Ų | 111.6 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | 177.1 | 179.4 | -98.4 | 0 | 0 | 0 | 111.9 | L464 R465 L471 K472 | L464-F468 WeakPolarHBondContact O-CB 3.33Å; L464-F468 PolarHBondContact O-N 3.49Å; R465-F468 PolarHBondContact O-N 3.01Å; F468-L471 PolarHBondContact O-N 2.82Å; F468-K472 HydrophobicContact CE1-CD 4.48Å; F468-K472 WeakPolarHBondContact O-CB 3.44Å; F468-K472 PolarHBondContact O-N 3.21Å |
| 469 | L | 79 | Confident | 79.7 | Confident | 87 Ų | 87 | 110.6 Ų | 110.6 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.8 | -78 | 162.7 | 0 | 0 | 0 | 112.2 | R465 V466 R467 L471 K472 R473 | R465-L469 HydrophobicContact CG-CD1 4.48Å; R465-L469 PolarHBondContact O-N 3.01Å; V466-L469 PolarHBondContact O-N 3.11Å; R467-L469 PolarHBondContact O-N 3Å; L469-L471 VanDerWaalsContact C-N 3.35Å; L469-K472 PolarHBondContact O-N 3.12Å; L469-R473 PolarHBondContact O-N 3.21Å; L469-R473 VanDerWaalsContact O-N 3.1Å |
| 470 | K | 79.9 | Confident | 79.6 | Confident | 142 Ų | 142 | 106.8 Ų | 106.8 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 175.2 | -72.7 | -179.1 | 179.7 | -178.5 | 0 | 111.7 | V466 R467 R473 R474 | V466-K470 HydrophobicContact CG1-CD 4.42Å; V466-K470 WeakPolarHBondContact O-CG 3.49Å; V466-K470 PolarHBondContact O-N 3.49Å; V466-K470 VanDerWaalsContact O-N 3.09Å; R467-K470 PolarHBondContact O-N 3.47Å; K470-R473 PolarHBondContact O-N 3.03Å; K470-R474 PolarHBondContact O-N 2.94Å; K470-R474 VanDerWaalsContact O-N 3.09Å |
| 471 | L | 76.5 | Confident | 79.5 | Confident | 118 Ų | 118 | 103.4 Ų | 103.4 | 62% | 0.618 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.4 | -44.2 | 179.6 | -173.9 | 63 | 0 | 0 | 0 | 111.7 | R467 F468 L469 R473 R474 Y475 | R467-L471 WeakPolarHBondContact O-CB 3.47Å; R467-L471 PolarHBondContact O-N 3.42Å; F468-L471 PolarHBondContact O-N 2.82Å; L469-L471 VanDerWaalsContact C-N 3.35Å; L471-R473 VanDerWaalsContact C-N 3.32Å; L471-R473 PolarHBondContact O-N 3.38Å; L471-R474 PolarHBondContact O-N 2.92Å; L471-Y475 WeakPolarHBondContact O-CB 3.47Å; L471-Y475 PolarHBondContact O-N 2.91Å |
| 472 | K | 79.1 | Confident | 79.5 | Confident | 110 Ų | 110 | 106.7 Ų | 106.7 | 48% | 0.478 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 176.2 | -174.8 | 177.1 | 178.4 | -176.5 | 0 | 111.2 | F468 L469 R474 Y475 E476 | F468-K472 HydrophobicContact CE1-CD 4.48Å; F468-K472 WeakPolarHBondContact O-CB 3.44Å; F468-K472 PolarHBondContact O-N 3.21Å; L469-K472 PolarHBondContact O-N 3.12Å; K472-R474 PolarHBondContact O-N 2.96Å; K472-Y475 PolarHBondContact O-N 3.19Å; K472-E476 WeakPolarHBondContact CE-OE1 3.36Å; K472-E476 WeakPolarHBondContact O-CG 3.37Å; K472-E476 PolarHBondContact O-N 3.35Å |
| 473 | R | 78.4 | Confident | 79.6 | Confident | 145 Ų | 145 | 105.3 Ų | 105.3 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 175.7 | -176.4 | 179.4 | 174.7 | 175.5 | 2.9 | 112.2 | L469 K470 L471 Y475 E476 E477 | L469-R473 PolarHBondContact O-N 3.21Å; L469-R473 VanDerWaalsContact O-N 3.1Å; K470-R473 PolarHBondContact O-N 3.03Å; L471-R473 VanDerWaalsContact C-N 3.32Å; L471-R473 PolarHBondContact O-N 3.38Å; R473-Y475 VanDerWaalsContact C-N 3.34Å; R473-Y475 PolarHBondContact O-N 3.26Å; R473-E476 PolarHBondContact O-N 3.1Å; R473-E477 IonicContact CZ-OE1 2.82Å; R473-E477 IonicContact NE-OE1 3.42Å; R473-E477 PolarHBondContact NE-OE1 3.4Å; R473-E477 IonicContact NH2-OE1 2.57Å; R473-E477 WeakPolarHBondContact O-CG 3.5Å; R473-E477 PolarHBondContact O-N 3.07Å |
| 474 | R | 76.3 | Confident | 79.7 | Confident | 178 Ų | 178 | 104.2 Ų | 104.2 | 67% | 0.672 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | 177.7 | -77.5 | -175 | 177.1 | 178.4 | -2 | 112.1 | K470 L471 K472 E477 T478 | K470-R474 PolarHBondContact O-N 2.94Å; K470-R474 VanDerWaalsContact O-N 3.09Å; L471-R474 PolarHBondContact O-N 2.92Å; K472-R474 PolarHBondContact O-N 2.96Å; R474-E477 PolarHBondContact O-N 3.17Å; R474-T478 WeakPolarHBondContact O-CB 3.3Å; R474-T478 WeakPolarHBondContact O-CG2 3.49Å; R474-T478 PolarHBondContact O-N 3.35Å; R474-T478 PolarHBondContact O-OG1 3.44Å |
| 475 | Y | 78.2 | Confident | 79.7 | Confident | 154 Ų | 154 | 102 Ų | 102 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.9 | -47.6 | 177.1 | 177 | -99.1 | 0 | 0 | 0 | 111.4 | L471 K472 R473 E477 T478 D479 | L471-Y475 WeakPolarHBondContact O-CB 3.47Å; L471-Y475 PolarHBondContact O-N 2.91Å; K472-Y475 PolarHBondContact O-N 3.19Å; R473-Y475 VanDerWaalsContact C-N 3.34Å; R473-Y475 PolarHBondContact O-N 3.26Å; Y475-E477 PolarHBondContact O-N 3.05Å; Y475-T478 WeakPolarHBondContact CA-OG1 3.45Å; Y475-T478 PolarHBondContact O-N 3.16Å; Y475-T478 PolarHBondContact O-OG1 2.77Å; Y475-D479 WeakPolarHBondContact O-CB 3.34Å; Y475-D479 PolarHBondContact O-N 3.36Å |
| 476 | E | 82.1 | Confident | 79.9 | Confident | 52 Ų | 52 | 101.9 Ų | 101.9 | 24% | 0.243 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 178.2 | -70.4 | 176.2 | -165.3 | 0 | 0 | 112.4 | K472 R473 Y480 R948 | K472-E476 WeakPolarHBondContact CE-OE1 3.36Å; K472-E476 WeakPolarHBondContact O-CG 3.37Å; K472-E476 PolarHBondContact O-N 3.35Å; R473-E476 PolarHBondContact O-N 3.1Å; E476-Y480 PolarHBondContact O-N 3.04Å; E476-R948 IonicContact OE2-CZ 3.5Å; E476-R948 IonicContact OE2-NH1 3.63Å; E476-R948 PolarHBondContact OE2-NH1 3.26Å; E476-R948 IonicContact OE2-NH2 3.93Å; E476-R948 PolarHBondContact OE2-NH2 3.5Å |
| 477 | E | 83.2 | Confident | 79.9 | Confident | 31 Ų | 31 | 104.6 Ų | 104.6 | 15% | 0.145 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 177.9 | -73 | -177.5 | 168.1 | 0 | 0 | 112.1 | R473 R474 Y475 L481 L941 Y944 R945 | R473-E477 IonicContact CZ-OE1 2.82Å; R473-E477 IonicContact NE-OE1 3.42Å; R473-E477 PolarHBondContact NE-OE1 3.4Å; R473-E477 IonicContact NH2-OE1 2.57Å; R473-E477 WeakPolarHBondContact O-CG 3.5Å; R473-E477 PolarHBondContact O-N 3.07Å; R474-E477 PolarHBondContact O-N 3.17Å; Y475-E477 PolarHBondContact O-N 3.05Å; E477-L481 WeakPolarHBondContact O-CG 3.13Å; E477-L481 PolarHBondContact O-N 3.18Å; E477-L481 VanDerWaalsContact O-N 3.15Å; E477-L941 HydrophobicContact CB-CD2 3.83Å; E477-L941 HydrophobicContact CG-CD2 3.96Å; E477-Y944 HydrophobicContact CG-CE1 4.32Å; E477-R945 IonicContact OE1-CZ 3.14Å; E477-R945 IonicContact OE1-NE 2.75Å; E477-R945 PolarHBondContact OE1-NE 3.32Å; E477-R945 VanDerWaalsContact OE1-NE 3.16Å; E477-R945 IonicContact OE1-NH2 3.92Å; E477-R945 PolarHBondContact OE1-NH2 3.49Å; E477-R945 IonicContact OE2-NH2 2.86Å; E477-R945 PolarHBondContact OE2-NH2 3.15Å |
| 478 | T | 78.9 | Confident | 80 | Confident | 82 Ų | 82 | 97.9 Ų | 97.9 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.4 | -37.8 | 179 | 47.1 | 0 | 0 | 0 | 0 | 112.9 | R474 Y475 Y480 L481 R482 | R474-T478 WeakPolarHBondContact O-CB 3.3Å; R474-T478 WeakPolarHBondContact O-CG2 3.49Å; R474-T478 PolarHBondContact O-N 3.35Å; R474-T478 PolarHBondContact O-OG1 3.44Å; Y475-T478 WeakPolarHBondContact CA-OG1 3.45Å; Y475-T478 PolarHBondContact O-N 3.16Å; Y475-T478 PolarHBondContact O-OG1 2.77Å; T478-Y480 VanDerWaalsContact C-N 3.33Å; T478-Y480 PolarHBondContact O-N 3.06Å; T478-L481 PolarHBondContact O-N 3.22Å; T478-R482 WeakPolarHBondContact O-CB 3.36Å; T478-R482 PolarHBondContact O-N 3.22Å |
| 479 | D | 81.1 | Confident | 80 | Confident | 63 Ų | 63 | 98.2 Ų | 98.2 | 34% | 0.337 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 175 | -168.8 | 65.3 | 0 | 0 | 0 | 111.3 | Y475 R482 Q483 | Y475-D479 WeakPolarHBondContact O-CB 3.34Å; Y475-D479 PolarHBondContact O-N 3.36Å; D479-R482 WeakPolarHBondContact O-CB 3.43Å; D479-R482 PolarHBondContact O-N 3.08Å; D479-Q483 WeakPolarHBondContact O-CG 3.15Å; D479-Q483 PolarHBondContact O-N 3.41Å; D479-Q483 PolarHBondContact OD2-NE2 2.71Å |
| 480 | Y | 82.1 | Confident | 80.1 | Confident | 58 Ų | 58 | 97.5 Ų | 97.5 | 23% | 0.227 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.3 | -170.9 | -101.4 | 0 | 0 | 0 | 112.6 | E476 T478 R482 Q483 E484 I940 Y944 | E476-Y480 PolarHBondContact O-N 3.04Å; T478-Y480 VanDerWaalsContact C-N 3.33Å; T478-Y480 PolarHBondContact O-N 3.06Å; Y480-R482 VanDerWaalsContact C-N 3.29Å; Y480-R482 PolarHBondContact O-N 3.35Å; Y480-Q483 PolarHBondContact O-N 3.09Å; Y480-E484 HydrophobicContact CE1-CG 4.35Å; Y480-E484 PolarHBondContact O-N 3.01Å; Y480-I940 HydrophobicContact CD1-CG2 3.85Å; Y480-I940 HydrophobicContact CE1-CG2 3.57Å; Y480-Y944 AromaticContact CD1-CD2 3.63Å; Y480-Y944 HydrophobicContact CD1-CD2 3.63Å; Y480-Y944 HydrophobicContact CD1-CE2 4.37Å; Y480-Y944 AromaticContact CD1-CG 3.82Å; Y480-Y944 HydrophobicContact CD1-CG 3.82Å; Y480-Y944 AromaticContact CD2-CD2 3.47Å; Y480-Y944 HydrophobicContact CD2-CD2 3.47Å; Y480-Y944 VanDerWaalsContact CD2-CD2 3.47Å; Y480-Y944 AromaticContact CD2-CE2 3.63Å; Y480-Y944 HydrophobicContact CD2-CE2 3.63Å; Y480-Y944 HydrophobicContact CD2-CG 4.45Å; Y480-Y944 AromaticContact CE1-CD2 3.84Å; Y480-Y944 HydrophobicContact CE1-CD2 3.84Å; Y480-Y944 HydrophobicContact CE1-CG 4.08Å; Y480-Y944 AromaticContact CE2-CD2 3.68Å; Y480-Y944 HydrophobicContact CE2-CD2 3.68Å; Y480-Y944 HydrophobicContact CE2-CE2 4.17Å; Y480-Y944 AromaticContact CG-CD2 3.43Å; Y480-Y944 HydrophobicContact CG-CD2 3.43Å; Y480-Y944 VanDerWaalsContact CG-CD2 3.43Å; Y480-Y944 AromaticContact CG-CE2 3.73Å; Y480-Y944 HydrophobicContact CG-CE2 3.73Å; Y480-Y944 HydrophobicContact CG-CG 4.01Å; Y480-Y944 AromaticContact CZ-CD2 3.86Å |
| 481 | L | 81.9 | Confident | 79.9 | Confident | 21 Ų | 21 | 97.4 Ų | 97.4 | 11% | 0.11 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 174.4 | -79.4 | 167.1 | 0 | 0 | 0 | 111.9 | E477 T478 Q483 E484 H485 Y937 I940 L941 | E477-L481 WeakPolarHBondContact O-CG 3.13Å; E477-L481 PolarHBondContact O-N 3.18Å; E477-L481 VanDerWaalsContact O-N 3.15Å; T478-L481 PolarHBondContact O-N 3.22Å; L481-Q483 VanDerWaalsContact C-N 3.33Å; L481-Q483 PolarHBondContact O-N 3.29Å; L481-E484 PolarHBondContact O-N 3.2Å; L481-H485 PolarHBondContact O-CD2 3.4Å; L481-H485 VanDerWaalsContact O-CD2 3.32Å; L481-H485 PolarHBondContact O-N 3.5Å; L481-Y937 HydrophobicContact CD1-CD2 4.34Å; L481-Y937 HydrophobicContact CD1-CG 4.47Å; L481-Y937 HydrophobicContact CD2-CD1 3.73Å; L481-Y937 HydrophobicContact CD2-CD2 4.45Å; L481-Y937 HydrophobicContact CD2-CE1 4.26Å; L481-Y937 HydrophobicContact CD2-CG 3.85Å; L481-I940 HydrophobicContact CD2-CB 4.27Å; L481-I940 HydrophobicContact CD2-CD1 4.34Å; L481-I940 HydrophobicContact CD2-CG2 4.05Å; L481-L941 HydrophobicContact CD1-CD1 4.35Å; L481-L941 HydrophobicContact CD1-CD2 4.2Å; L481-L941 HydrophobicContact CD1-CG 4.38Å; L481-L941 HydrophobicContact CG-CD2 4.24Å |
| 482 | R | 80.2 | Confident | 80 | Confident | 190 Ų | 190 | 95.3 Ų | 95.3 | 72% | 0.717 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | 177.8 | -178.4 | -177.5 | 165.9 | 165.4 | -1.9 | 111.8 | T478 D479 Y480 H485 K486 | T478-R482 WeakPolarHBondContact O-CB 3.36Å; T478-R482 PolarHBondContact O-N 3.22Å; D479-R482 WeakPolarHBondContact O-CB 3.43Å; D479-R482 PolarHBondContact O-N 3.08Å; Y480-R482 VanDerWaalsContact C-N 3.29Å; Y480-R482 PolarHBondContact O-N 3.35Å; R482-H485 PolarHBondContact O-N 3.08Å; R482-K486 PolarHBondContact O-N 3.38Å |
| 483 | Q | 82.5 | Confident | 79.8 | Confident | 99 Ų | 99 | 95 Ų | 95 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.5 | -69.3 | 179.2 | 23.6 | 0 | 0 | 112.3 | D479 Y480 L481 K486 K487 | D479-Q483 WeakPolarHBondContact O-CG 3.15Å; D479-Q483 PolarHBondContact O-N 3.41Å; D479-Q483 PolarHBondContact OD2-NE2 2.71Å; Y480-Q483 PolarHBondContact O-N 3.09Å; L481-Q483 VanDerWaalsContact C-N 3.33Å; L481-Q483 PolarHBondContact O-N 3.29Å; Q483-K486 PolarHBondContact O-N 3.1Å; Q483-K487 PolarHBondContact O-N 3.19Å |
| 484 | E | 83 | Confident | 79.7 | Confident | 48 Ų | 48 | 93.5 Ų | 93.5 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.3 | -41 | 176 | -76.5 | -57.9 | 115.4 | 0 | 0 | 112.3 | Y480 L481 K486 K487 T488 I940 | Y480-E484 HydrophobicContact CE1-CG 4.35Å; Y480-E484 PolarHBondContact O-N 3.01Å; L481-E484 PolarHBondContact O-N 3.2Å; E484-K486 PolarHBondContact O-N 3.37Å; E484-K487 PolarHBondContact O-N 3.28Å; E484-K487 IonicContact OE1-NZ 3.59Å; E484-K487 PolarHBondContact OE1-NZ 3.19Å; E484-T488 PolarHBondContact O-N 3.02Å; E484-T488 PolarHBondContact O-OG1 2.79Å; E484-I940 HydrophobicContact CB-CD1 4.36Å; E484-I940 HydrophobicContact CG-CG2 4.14Å |
| 485 | H | 79.9 | Confident | 79.8 | Confident | 59 Ų | 59 | 87 Ų | 87 | 27% | 0.273 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 173.7 | -83.2 | -58.2 | 0 | 0 | 0 | 113.1 | L481 R482 K487 T488 E489 T934 Y937 | L481-H485 PolarHBondContact O-CD2 3.4Å; L481-H485 VanDerWaalsContact O-CD2 3.32Å; L481-H485 PolarHBondContact O-N 3.5Å; R482-H485 PolarHBondContact O-N 3.08Å; H485-K487 PolarHBondContact O-N 3.19Å; H485-T488 PolarHBondContact O-N 3.38Å; H485-T488 VanDerWaalsContact O-N 3.1Å; H485-E489 WeakPolarHBondContact O-CB 3.16Å; H485-E489 PolarHBondContact O-N 3.45Å; H485-T934 PolarHBondContact ND1-OG1 3.29Å; H485-Y937 AromaticContact CE1-CE1 3.67Å; H485-Y937 AromaticContact NE2-CE1 3.13Å; H485-Y937 WeakPolarHBondContact NE2-CE1 3.48Å; H485-Y937 AromaticContact NE2-CZ 3.33Å; H485-Y937 VanDerWaalsContact NE2-CZ 3.33Å; H485-Y937 PolarHBondContact NE2-OH 3.49Å |
| 486 | K | 81.3 | Confident | 79.4 | Confident | 146 Ų | 146 | 81.7 Ų | 81.7 | 64% | 0.635 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.3 | -36.6 | 178.1 | -174.8 | -180 | 178.2 | -177.2 | 0 | 112.3 | R482 Q483 E484 S490 | R482-K486 PolarHBondContact O-N 3.38Å; Q483-K486 PolarHBondContact O-N 3.1Å; E484-K486 PolarHBondContact O-N 3.37Å; K486-S490 PolarHBondContact O-N 3.08Å; K486-S490 PolarHBondContact O-OG 3.36Å |
| 487 | K | 80.6 | Confident | 79.1 | Confident | 128 Ų | 128 | 85.6 Ų | 85.6 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.6 | -45.6 | 176.3 | -67.5 | 174.3 | -173 | 166.5 | 0 | 111.4 | Q483 E484 H485 R491 | Q483-K487 PolarHBondContact O-N 3.19Å; E484-K487 PolarHBondContact O-N 3.28Å; E484-K487 IonicContact OE1-NZ 3.59Å; E484-K487 PolarHBondContact OE1-NZ 3.19Å; H485-K487 PolarHBondContact O-N 3.19Å; K487-R491 PolarHBondContact O-N 2.97Å |
| 488 | T | 79.7 | Confident | 78.5 | Confident | 14 Ų | 14 | 87.1 Ų | 87.1 | 9% | 0.086 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 178.2 | -46.8 | 0 | 0 | 0 | 0 | 111.5 | E484 H485 S490 R491 L492 A932 T934 | E484-T488 PolarHBondContact O-N 3.02Å; E484-T488 PolarHBondContact O-OG1 2.79Å; H485-T488 PolarHBondContact O-N 3.38Å; H485-T488 VanDerWaalsContact O-N 3.1Å; T488-S490 VanDerWaalsContact C-N 3.33Å; T488-S490 PolarHBondContact O-N 3.11Å; T488-R491 WeakPolarHBondContact O-CB 3.33Å; T488-R491 PolarHBondContact O-N 2.75Å; T488-R491 VanDerWaalsContact O-N 3.11Å; T488-L492 HydrophobicContact CG2-CD1 4.4Å; T488-L492 WeakPolarHBondContact O-CB 3.43Å; T488-L492 PolarHBondContact O-N 3.41Å; T488-A932 HydrophobicContact CG2-CB 4.1Å; T488-T934 WeakPolarHBondContact CB-OG1 3.35Å; T488-T934 WeakPolarHBondContact CG2-OG1 3.38Å; T488-T934 PolarHBondContact OG1-OG1 2.92Å |
| 489 | E | 77 | Confident | 78.1 | Confident | 137 Ų | 137 | 85.8 Ų | 85.8 | 64% | 0.64 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.4 | -42.4 | -179 | -173.6 | 179.5 | -167.9 | 0 | 0 | 111.7 | H485 R491 L492 H493 | H485-E489 WeakPolarHBondContact O-CB 3.16Å; H485-E489 PolarHBondContact O-N 3.45Å; E489-R491 VanDerWaalsContact C-N 3.29Å; E489-R491 PolarHBondContact O-N 3.11Å; E489-L492 PolarHBondContact O-N 3.33Å; E489-H493 WeakPolarHBondContact O-CB 3.19Å; E489-H493 PolarHBondContact O-N 3.34Å |
| 490 | S | 79.5 | Confident | 77.7 | Confident | 72 Ų | 72 | 87.8 Ų | 87.8 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | K486 T488 E494 | K486-S490 PolarHBondContact O-N 3.08Å; K486-S490 PolarHBondContact O-OG 3.36Å; T488-S490 VanDerWaalsContact C-N 3.33Å; T488-S490 PolarHBondContact O-N 3.11Å; S490-E494 PolarHBondContact O-N 3.33Å |
| 491 | R | 77 | Confident | 77.3 | Confident | 140 Ų | 140 | 89.1 Ų | 89.1 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71 | -38.2 | 178 | -170.9 | 173.1 | 60.8 | 177.5 | 2.8 | 112 | K487 T488 E489 E494 Q495 A932 | K487-R491 PolarHBondContact O-N 2.97Å; T488-R491 WeakPolarHBondContact O-CB 3.33Å; T488-R491 PolarHBondContact O-N 2.75Å; T488-R491 VanDerWaalsContact O-N 3.11Å; E489-R491 VanDerWaalsContact C-N 3.29Å; E489-R491 PolarHBondContact O-N 3.11Å; R491-E494 PolarHBondContact O-N 3.48Å; R491-Q495 WeakPolarHBondContact O-CG 3.17Å; R491-Q495 PolarHBondContact O-N 2.97Å; R491-A932 HydrophobicContact CB-CB 4.18Å; R491-A932 HydrophobicContact CG-CB 3.96Å |
| 492 | L | 77.7 | Confident | 76.8 | Confident | 74 Ų | 74 | 89.8 Ų | 89.8 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.1 | -38 | 179 | -131.1 | 147.1 | 0 | 0 | 0 | 111.5 | T488 E489 E494 Q495 A496 A932 | T488-L492 HydrophobicContact CG2-CD1 4.4Å; T488-L492 WeakPolarHBondContact O-CB 3.43Å; T488-L492 PolarHBondContact O-N 3.41Å; E489-L492 PolarHBondContact O-N 3.33Å; L492-E494 VanDerWaalsContact C-N 3.32Å; L492-E494 PolarHBondContact O-N 3.07Å; L492-Q495 PolarHBondContact O-N 3.4Å; L492-Q495 VanDerWaalsContact O-N 3.16Å; L492-A496 WeakPolarHBondContact O-CB 3.37Å; L492-A496 PolarHBondContact O-N 2.98Å; L492-A932 HydrophobicContact CD1-CB 4.34Å; L492-A932 WeakPolarHBondContact CD1-O 3.22Å; L492-A932 HydrophobicContact CG-CB 4.35Å |
| 493 | H | 76.3 | Confident | 76 | Confident | 103 Ų | 103 | 83.6 Ų | 83.6 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 176.4 | -179.1 | 80.2 | 0 | 0 | 0 | 112.4 | E489 A496 R497 | E489-H493 WeakPolarHBondContact O-CB 3.19Å; E489-H493 PolarHBondContact O-N 3.34Å; H493-A496 PolarHBondContact O-N 2.92Å; H493-R497 PolarHBondContact CD2-NH2 3.15Å; H493-R497 PolarHBondContact NE2-NE 3.31Å; H493-R497 PolarHBondContact NE2-NH2 2.8Å; H493-R497 PolarHBondContact O-N 2.93Å |
| 494 | E | 74.8 | Confident | 75.6 | Confident | 115 Ų | 115 | 84.3 Ų | 84.3 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 173.5 | -143.6 | 80.3 | -128.3 | 0 | 0 | 111.7 | S490 R491 L492 R497 | S490-E494 PolarHBondContact O-N 3.33Å; R491-E494 PolarHBondContact O-N 3.48Å; L492-E494 VanDerWaalsContact C-N 3.32Å; L492-E494 PolarHBondContact O-N 3.07Å; E494-R497 IonicContact OE1-CZ 3.93Å; E494-R497 IonicContact OE1-NH1 3.7Å; E494-R497 PolarHBondContact OE1-NH1 3.3Å; E494-R497 IonicContact OE1-NH2 3.7Å |
| 495 | Q | 78.3 | Confident | 74.7 | Confident | 42 Ų | 42 | 85.3 Ų | 85.3 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 177.1 | -65.8 | -177 | -50.9 | 0 | 0 | 112 | R491 L492 S498 L499 E930 F931 | R491-Q495 WeakPolarHBondContact O-CG 3.17Å; R491-Q495 PolarHBondContact O-N 2.97Å; L492-Q495 PolarHBondContact O-N 3.4Å; L492-Q495 VanDerWaalsContact O-N 3.16Å; Q495-S498 WeakPolarHBondContact O-CB 3.29Å; Q495-S498 PolarHBondContact O-N 3.2Å; Q495-L499 PolarHBondContact O-N 3.05Å; Q495-E930 PolarHBondContact NE2-O 2.76Å; Q495-F931 HydrophobicContact CB-CD1 4.15Å; Q495-F931 HydrophobicContact CB-CE1 4.32Å |
| 496 | A | 71 | Confident | 73.9 | Confident | 41 Ų | 41 | 83.9 Ų | 83.9 | 34% | 0.339 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L492 H493 S498 L499 L500 | L492-A496 WeakPolarHBondContact O-CB 3.37Å; L492-A496 PolarHBondContact O-N 2.98Å; H493-A496 PolarHBondContact O-N 2.92Å; A496-S498 VanDerWaalsContact C-N 3.26Å; A496-S498 PolarHBondContact O-N 2.72Å; A496-L499 PolarHBondContact O-N 3.29Å; A496-L499 VanDerWaalsContact O-N 3.14Å; A496-L500 PolarHBondContact O-N 3.48Å |
| 497 | R | 75 | Confident | 73.3 | Confident | 135 Ų | 135 | 79.9 Ų | 79.9 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.1 | -37.5 | 174.3 | -87.5 | -167.2 | -110.3 | 130.9 | -3.1 | 112.6 | H493 E494 | H493-R497 PolarHBondContact CD2-NH2 3.15Å; H493-R497 PolarHBondContact NE2-NE 3.31Å; H493-R497 PolarHBondContact NE2-NH2 2.8Å; H493-R497 PolarHBondContact O-N 2.93Å; E494-R497 IonicContact OE1-CZ 3.93Å; E494-R497 IonicContact OE1-NH1 3.7Å; E494-R497 PolarHBondContact OE1-NH1 3.3Å; E494-R497 IonicContact OE1-NH2 3.7Å |
| 498 | S | 70.8 | Confident | 72.8 | Confident | 63 Ų | 63 | 76 Ų | 76 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 175.9 | -173.2 | 0 | 0 | 0 | 0 | 112.5 | Q495 A496 T502 | Q495-S498 WeakPolarHBondContact O-CB 3.29Å; Q495-S498 PolarHBondContact O-N 3.2Å; A496-S498 VanDerWaalsContact C-N 3.26Å; A496-S498 PolarHBondContact O-N 2.72Å; S498-T502 PolarHBondContact O-OG1 3.27Å |
| 499 | L | 70.1 | Confident | 72.1 | Confident | 53 Ų | 53 | 78 Ų | 78 | 28% | 0.277 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72 | -44 | -178 | -155.7 | 87.2 | 0 | 0 | 0 | 111.8 | Q495 A496 S501 T502 T503 Y927 F931 | Q495-L499 PolarHBondContact O-N 3.05Å; A496-L499 PolarHBondContact O-N 3.29Å; A496-L499 VanDerWaalsContact O-N 3.14Å; L499-S501 VanDerWaalsContact C-N 3.25Å; L499-S501 PolarHBondContact O-N 2.92Å; L499-T502 PolarHBondContact O-N 3.26Å; L499-T502 PolarHBondContact O-OG1 2.8Å; L499-T503 PolarHBondContact O-N 2.8Å; L499-T503 PolarHBondContact O-OG1 3.46Å; L499-Y927 HydrophobicContact CD1-CD2 4.13Å; L499-Y927 HydrophobicContact CD1-CG 4.45Å; L499-F931 HydrophobicContact CD1-CZ 4.14Å |
| 500 | L | 73.2 | Confident | 71.6 | Confident | 106 Ų | 106 | 74 Ų | 74 | 56% | 0.555 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -52.7 | -43 | 178.9 | -95.5 | 150.1 | 0 | 0 | 0 | 112.3 | A496 T502 T503 D504 | A496-L500 PolarHBondContact O-N 3.48Å; L500-T502 VanDerWaalsContact C-N 3.31Å; L500-T502 PolarHBondContact O-N 3.45Å; L500-T503 PolarHBondContact O-N 2.96Å; L500-D504 PolarHBondContact O-N 2.79Å |
| 501 | S | 73.9 | Confident | 71 | Confident | 85 Ų | 85 | 74.6 Ų | 74.6 | 59% | 0.594 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.3 | -36.6 | 177 | 174.2 | 0 | 0 | 0 | 0 | 113.5 | L499 | L499-S501 VanDerWaalsContact C-N 3.25Å; L499-S501 PolarHBondContact O-N 2.92Å |
| 502 | T | 70.9 | Confident | 70.4 | Confident | 36 Ų | 36 | 69 Ų | 69 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -77.4 | -34.5 | 176.3 | 36.9 | 0 | 0 | 0 | 0 | 112.1 | S498 L499 L500 S505 A506 | S498-T502 PolarHBondContact O-OG1 3.27Å; L499-T502 PolarHBondContact O-N 3.26Å; L499-T502 PolarHBondContact O-OG1 2.8Å; L500-T502 VanDerWaalsContact C-N 3.31Å; L500-T502 PolarHBondContact O-N 3.45Å; T502-S505 PolarHBondContact O-N 3.42Å; T502-A506 PolarHBondContact O-N 2.87Å |
| 503 | T | 64.6 | Low | 69.8 | Low | 60 Ų | 60 | 68.3 Ų | 68.3 | 37% | 0.368 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 178.8 | -53.1 | 0 | 0 | 0 | 0 | 111.9 | L499 L500 S505 A506 V507 | L499-T503 PolarHBondContact O-N 2.8Å; L499-T503 PolarHBondContact O-OG1 3.46Å; L500-T503 PolarHBondContact O-N 2.96Å; T503-S505 PolarHBondContact O-N 3.34Å; T503-A506 PolarHBondContact O-N 3.4Å; T503-V507 HydrophobicContact CG2-CG2 3.92Å; T503-V507 VanDerWaalsContact O-CG2 3.29Å; T503-V507 WeakPolarHBondContact O-CG2 3.23Å; T503-V507 PolarHBondContact O-N 3.47Å |
| 504 | D | 72.4 | Confident | 69.2 | Low | 114 Ų | 114 | 66.9 Ų | 66.9 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.4 | -34.3 | 178 | -76.9 | -23.4 | 0 | 0 | 0 | 112.9 | L500 | L500-D504 PolarHBondContact O-N 2.79Å |
| 505 | S | 64.3 | Low | 68.9 | Low | 68 Ų | 68 | 67 Ų | 67 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.1 | -35.7 | 174.3 | -76.8 | 0 | 0 | 0 | 0 | 113.5 | T502 T503 | T502-S505 PolarHBondContact O-N 3.42Å; T503-S505 PolarHBondContact O-N 3.34Å |
| 506 | A | 64.1 | Low | 68.3 | Low | 29 Ų | 29 | 70 Ų | 70 | 24% | 0.24 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -73.3 | -36 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T502 T503 G508 D509 V510 F925 | T502-A506 PolarHBondContact O-N 2.87Å; T503-A506 PolarHBondContact O-N 3.4Å; A506-G508 PolarHBondContact O-N 2.85Å; A506-D509 PolarHBondContact O-N 2.8Å; A506-D509 VanDerWaalsContact O-N 3.11Å; A506-V510 WeakPolarHBondContact O-CB 3.44Å; A506-V510 WeakPolarHBondContact O-CG2 3.45Å; A506-V510 PolarHBondContact O-N 3.36Å; A506-F925 HydrophobicContact CB-CE2 4.3Å |
| 507 | V | 67.8 | Low | 68.1 | Low | 63 Ų | 63 | 72.1 Ų | 72.1 | 38% | 0.382 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.1 | -35.1 | 176.2 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | T503 D509 V510 N511 | T503-V507 HydrophobicContact CG2-CG2 3.92Å; T503-V507 VanDerWaalsContact O-CG2 3.29Å; T503-V507 WeakPolarHBondContact O-CG2 3.23Å; T503-V507 PolarHBondContact O-N 3.47Å; V507-D509 PolarHBondContact O-N 3.43Å; V507-V510 PolarHBondContact O-N 2.84Å; V507-N511 WeakPolarHBondContact O-CB 3.35Å; V507-N511 PolarHBondContact O-N 3.48Å; V507-N511 PolarHBondContact O-ND2 3.43Å |
| 508 | G | 69.8 | Low | 67.9 | Low | 47 Ų | 47 | 69.2 Ų | 69.2 | 49% | 0.485 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A506 | A506-G508 PolarHBondContact O-N 2.85Å |
| 509 | D | 66.4 | Low | 67.7 | Low | 56 Ų | 56 | 70.2 Ų | 70.2 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73 | -37.9 | 179.8 | -66 | -14.1 | 0 | 0 | 0 | 111.5 | A506 V507 G512 R923 | A506-D509 PolarHBondContact O-N 2.8Å; A506-D509 VanDerWaalsContact O-N 3.11Å; V507-D509 PolarHBondContact O-N 3.43Å; D509-G512 PolarHBondContact O-N 3.25Å; D509-R923 VanDerWaalsContact CG-NH2 3.25Å; D509-R923 IonicContact OD1-CZ 3.94Å; D509-R923 IonicContact OD1-NE 3.85Å; D509-R923 IonicContact OD1-NH2 3.01Å; D509-R923 PolarHBondContact OD1-NH2 3.5Å; D509-R923 IonicContact OD2-CZ 3.38Å; D509-R923 VanDerWaalsContact OD2-CZ 3.24Å; D509-R923 IonicContact OD2-NE 3.29Å; D509-R923 PolarHBondContact OD2-NE 3.47Å; D509-R923 IonicContact OD2-NH2 3.37Å; D509-R923 PolarHBondContact OD2-NH2 3.3Å |
| 510 | V | 65.2 | Low | 67.7 | Low | 52 Ų | 52 | 71.7 Ų | 71.7 | 32% | 0.315 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.5 | -34 | 179.7 | 165.7 | 0 | 0 | 0 | 0 | 112.2 | A506 V507 G512 L513 H514 | A506-V510 WeakPolarHBondContact O-CB 3.44Å; A506-V510 WeakPolarHBondContact O-CG2 3.45Å; A506-V510 PolarHBondContact O-N 3.36Å; V507-V510 PolarHBondContact O-N 2.84Å; V510-G512 PolarHBondContact O-N 2.88Å; V510-L513 WeakPolarHBondContact O-CB 3.41Å; V510-L513 PolarHBondContact O-N 2.93Å; V510-H514 WeakPolarHBondContact CG1-CE1 3.26Å; V510-H514 WeakPolarHBondContact CG1-ND1 3.38Å; V510-H514 PolarHBondContact O-N 3.43Å; V510-H514 PolarHBondContact O-ND1 3.46Å |
| 511 | N | 67 | Low | 67.5 | Low | 85 Ų | 85 | 69.9 Ų | 69.9 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.3 | -33.7 | 174.7 | -79.9 | -21.9 | 0 | 0 | 0 | 112.8 | V507 H514 Q515 | V507-N511 WeakPolarHBondContact O-CB 3.35Å; V507-N511 PolarHBondContact O-N 3.48Å; V507-N511 PolarHBondContact O-ND2 3.43Å; N511-H514 PolarHBondContact O-N 2.79Å; N511-Q515 WeakPolarHBondContact O-CG 3.38Å; N511-Q515 PolarHBondContact O-N 2.81Å |
| 512 | G | 64.2 | Low | 67.3 | Low | 23 Ų | 23 | 69.7 Ų | 69.7 | 24% | 0.237 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.2 | -35.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D509 V510 | D509-G512 PolarHBondContact O-N 3.25Å; V510-G512 PolarHBondContact O-N 2.88Å |
| 513 | L | 65.6 | Low | 67.4 | Low | 58 Ų | 58 | 69.8 Ų | 69.8 | 30% | 0.304 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.9 | -40.2 | 173.5 | -168.5 | 76.9 | 0 | 0 | 0 | 111.4 | V510 Q515 K516 L517 T919 | V510-L513 WeakPolarHBondContact O-CB 3.41Å; V510-L513 PolarHBondContact O-N 2.93Å; L513-Q515 VanDerWaalsContact C-N 3.3Å; L513-Q515 PolarHBondContact O-N 3.23Å; L513-K516 WeakPolarHBondContact O-CB 3.38Å; L513-K516 PolarHBondContact O-N 3.36Å; L513-K516 VanDerWaalsContact O-N 3.1Å; L513-L517 PolarHBondContact O-N 2.83Å; L513-T919 HydrophobicContact CD1-CG2 4.13Å |
| 514 | H | 64.8 | Low | 67.6 | Low | 73 Ų | 73 | 69.8 Ų | 69.8 | 34% | 0.338 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 178.5 | -79.5 | 135.2 | 0 | 0 | 0 | 112.5 | V510 N511 K516 L517 V518 | V510-H514 WeakPolarHBondContact CG1-CE1 3.26Å; V510-H514 WeakPolarHBondContact CG1-ND1 3.38Å; V510-H514 PolarHBondContact O-N 3.43Å; V510-H514 PolarHBondContact O-ND1 3.46Å; N511-H514 PolarHBondContact O-N 2.79Å; H514-K516 PolarHBondContact O-N 3.32Å; H514-K516 VanDerWaalsContact O-N 3.16Å; H514-L517 CarbonylContact O-C 3.55Å; H514-L517 PolarHBondContact O-N 3.28Å; H514-V518 WeakPolarHBondContact O-CB 3.38Å; H514-V518 VanDerWaalsContact O-CG2 3.24Å; H514-V518 WeakPolarHBondContact O-CG2 3.42Å; H514-V518 PolarHBondContact O-N 3.39Å |
| 515 | Q | 66.7 | Low | 67.3 | Low | 117 Ų | 117 | 69.7 Ų | 69.7 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -28.7 | 175.8 | -73.8 | 177.8 | 8 | 0 | 0 | 113.4 | N511 L513 R519 | N511-Q515 WeakPolarHBondContact O-CG 3.38Å; N511-Q515 PolarHBondContact O-N 2.81Å; L513-Q515 VanDerWaalsContact C-N 3.3Å; L513-Q515 PolarHBondContact O-N 3.23Å; Q515-R519 WeakPolarHBondContact O-CG 3.24Å; Q515-R519 PolarHBondContact O-N 3.12Å |
| 516 | K | 66.6 | Low | 67.5 | Low | 107 Ų | 107 | 70.6 Ų | 70.6 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75.9 | -41.4 | 172.3 | -178.7 | -177.1 | 176.8 | -178.4 | 0 | 112.1 | L513 H514 R519 L520 | L513-K516 WeakPolarHBondContact O-CB 3.38Å; L513-K516 PolarHBondContact O-N 3.36Å; L513-K516 VanDerWaalsContact O-N 3.1Å; H514-K516 PolarHBondContact O-N 3.32Å; H514-K516 VanDerWaalsContact O-N 3.16Å; K516-R519 PolarHBondContact O-N 2.97Å; K516-L520 PolarHBondContact O-N 3.28Å |
| 517 | L | 66.9 | Low | 67.9 | Low | 84 Ų | 84 | 69.8 Ų | 69.8 | 44% | 0.44 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 176.2 | -77.6 | 169.1 | 0 | 0 | 0 | 111.7 | L513 H514 R519 L520 S521 | L513-L517 PolarHBondContact O-N 2.83Å; H514-L517 CarbonylContact O-C 3.55Å; H514-L517 PolarHBondContact O-N 3.28Å; L517-R519 VanDerWaalsContact C-N 3.34Å; L517-R519 PolarHBondContact O-N 3.18Å; L517-L520 PolarHBondContact O-N 3.36Å; L517-L520 VanDerWaalsContact O-N 3.17Å; L517-S521 WeakPolarHBondContact O-CB 3.37Å; L517-S521 PolarHBondContact O-N 2.85Å |
| 518 | V | 70.6 | Confident | 67.9 | Low | 75 Ų | 75 | 74.1 Ų | 74.1 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | H514 L520 S521 D522 | H514-V518 WeakPolarHBondContact O-CB 3.38Å; H514-V518 VanDerWaalsContact O-CG2 3.24Å; H514-V518 WeakPolarHBondContact O-CG2 3.42Å; H514-V518 PolarHBondContact O-N 3.39Å; V518-L520 VanDerWaalsContact C-N 3.31Å; V518-L520 PolarHBondContact O-N 3.47Å; V518-S521 CarbonylContact O-C 3.6Å; V518-S521 PolarHBondContact O-N 3.43Å; V518-D522 WeakPolarHBondContact CG1-OD2 3.47Å; V518-D522 WeakPolarHBondContact O-CB 3.47Å; V518-D522 PolarHBondContact O-N 3.26Å |
| 519 | R | 65.6 | Low | 67.7 | Low | 84 Ų | 84 | 76.6 Ų | 76.6 | 32% | 0.317 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 176.9 | -66 | 170 | -159.5 | 167.2 | 4.3 | 113.5 | Q515 K516 L517 T916 E918 | Q515-R519 WeakPolarHBondContact O-CG 3.24Å; Q515-R519 PolarHBondContact O-N 3.12Å; K516-R519 PolarHBondContact O-N 2.97Å; L517-R519 VanDerWaalsContact C-N 3.34Å; L517-R519 PolarHBondContact O-N 3.18Å; R519-T916 PolarHBondContact NH1-OG1 3.36Å; R519-E918 IonicContact CZ-OE2 3.73Å; R519-E918 IonicContact NH1-OE2 3.56Å; R519-E918 IonicContact NH2-OE2 2.9Å; R519-E918 PolarHBondContact NH2-OE2 3.2Å |
| 520 | L | 70.5 | Confident | 67.5 | Low | 84 Ų | 84 | 77.9 Ų | 77.9 | 44% | 0.44 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77.2 | -38.3 | 176.6 | -170 | 69.1 | 0 | 0 | 0 | 111.3 | K516 L517 V518 D522 L523 D524 Y913 | K516-L520 PolarHBondContact O-N 3.28Å; L517-L520 PolarHBondContact O-N 3.36Å; L517-L520 VanDerWaalsContact O-N 3.17Å; V518-L520 VanDerWaalsContact C-N 3.31Å; V518-L520 PolarHBondContact O-N 3.47Å; L520-D522 VanDerWaalsContact C-N 3.32Å; L520-L523 PolarHBondContact O-N 3.33Å; L520-D524 WeakPolarHBondContact O-CB 3.16Å; L520-D524 PolarHBondContact O-N 2.84Å; L520-Y913 HydrophobicContact CB-CE2 4.41Å; L520-Y913 HydrophobicContact CD1-CD1 3.77Å; L520-Y913 HydrophobicContact CD1-CD2 3.66Å; L520-Y913 HydrophobicContact CD1-CE1 4.02Å; L520-Y913 HydrophobicContact CD1-CE2 3.92Å; L520-Y913 HydrophobicContact CD1-CG 3.59Å |
| 521 | S | 69.1 | Low | 67.6 | Low | 67 Ų | 67 | 79.4 Ų | 79.4 | 47% | 0.469 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.2 | -31 | 174.8 | -175.7 | 0 | 0 | 0 | 0 | 112 | L517 V518 D524 K525 | L517-S521 WeakPolarHBondContact O-CB 3.37Å; L517-S521 PolarHBondContact O-N 2.85Å; V518-S521 CarbonylContact O-C 3.6Å; V518-S521 PolarHBondContact O-N 3.43Å; S521-D524 PolarHBondContact O-N 3.16Å; S521-K525 WeakPolarHBondContact O-CA 3.4Å; S521-K525 WeakPolarHBondContact O-CB 3.2Å; S521-K525 PolarHBondContact O-N 3.35Å |
| 522 | D | 70.9 | Confident | 67.6 | Low | 82 Ų | 82 | 79.1 Ų | 79.1 | 44% | 0.439 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.6 | -39.5 | 177.5 | -72.8 | -25.9 | 0 | 0 | 0 | 110.2 | V518 L520 K525 E526 | V518-D522 WeakPolarHBondContact CG1-OD2 3.47Å; V518-D522 WeakPolarHBondContact O-CB 3.47Å; V518-D522 PolarHBondContact O-N 3.26Å; L520-D522 VanDerWaalsContact C-N 3.32Å; D522-K525 PolarHBondContact O-N 3.43Å; D522-E526 WeakPolarHBondContact O-CB 3.34Å; D522-E526 PolarHBondContact O-N 3.38Å |
| 523 | L | 71.7 | Confident | 67.8 | Low | 38 Ų | 38 | 81.8 Ų | 81.8 | 20% | 0.199 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 171.3 | -176.4 | 75.9 | 0 | 0 | 0 | 111.5 | L520 K525 E526 N527 Y913 | L520-L523 PolarHBondContact O-N 3.33Å; L523-K525 VanDerWaalsContact C-N 3.33Å; L523-E526 PolarHBondContact O-N 2.74Å; L523-N527 PolarHBondContact O-N 3.23Å; L523-Y913 HydrophobicContact CB-CD2 4.47Å; L523-Y913 VanDerWaalsContact CD2-CB 3.41Å; L523-Y913 HydrophobicContact CD2-CD2 3.84Å; L523-Y913 HydrophobicContact CD2-CG 4.1Å |
| 524 | D | 68.6 | Low | 68 | Low | 59 Ų | 59 | 80.5 Ų | 80.5 | 32% | 0.316 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 176.2 | -171.9 | 39.9 | 0 | 0 | 0 | 111.2 | L520 S521 N527 R528 | L520-D524 WeakPolarHBondContact O-CB 3.16Å; L520-D524 PolarHBondContact O-N 2.84Å; S521-D524 PolarHBondContact O-N 3.16Å; D524-N527 CarbonylContact O-C 3.6Å; D524-N527 PolarHBondContact O-N 3.47Å; D524-R528 VanDerWaalsContact CG-NE 3.3Å; D524-R528 VanDerWaalsContact O-CB 3.27Å; D524-R528 WeakPolarHBondContact O-CB 3.32Å; D524-R528 VanDerWaalsContact O-CG 3.22Å; D524-R528 WeakPolarHBondContact O-CG 3.49Å; D524-R528 PolarHBondContact O-N 3.42Å; D524-R528 IonicContact OD1-CZ 3.3Å; D524-R528 IonicContact OD1-NE 3.6Å; D524-R528 PolarHBondContact OD1-NE 3.49Å; D524-R528 IonicContact OD1-NH2 2.93Å; D524-R528 IonicContact OD2-CZ 3.26Å; D524-R528 IonicContact OD2-NE 2.78Å; D524-R528 PolarHBondContact OD2-NE 2.93Å; D524-R528 IonicContact OD2-NH2 3.12Å; D524-R528 PolarHBondContact OD2-NH2 3.2Å |
| 525 | K | 67.4 | Low | 68 | Low | 112 Ų | 112 | 82.3 Ų | 82.3 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 174 | -173.8 | -177.8 | -177.6 | -164.8 | 0 | 110.9 | S521 D522 L523 R528 E529 | S521-K525 WeakPolarHBondContact O-CA 3.4Å; S521-K525 WeakPolarHBondContact O-CB 3.2Å; S521-K525 PolarHBondContact O-N 3.35Å; D522-K525 PolarHBondContact O-N 3.43Å; L523-K525 VanDerWaalsContact C-N 3.33Å; K525-R528 CarbonylContact O-C 3.56Å; K525-R528 PolarHBondContact O-N 2.88Å; K525-E529 WeakPolarHBondContact CE-OE1 3.16Å; K525-E529 HydrophobicContact CG-CG 4.27Å; K525-E529 IonicContact NZ-OE1 3.15Å; K525-E529 VanDerWaalsContact O-CB 3.29Å; K525-E529 WeakPolarHBondContact O-CB 3.27Å; K525-E529 VanDerWaalsContact O-CG 3.24Å; K525-E529 WeakPolarHBondContact O-CG 3.39Å; K525-E529 PolarHBondContact O-N 3.01Å |
| 526 | E | 68.5 | Low | 68 | Low | 87 Ų | 87 | 81 Ų | 81 | 41% | 0.407 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 176.2 | -158 | -171 | 164.1 | 0 | 0 | 111.6 | D522 L523 R530 | D522-E526 WeakPolarHBondContact O-CB 3.34Å; D522-E526 PolarHBondContact O-N 3.38Å; L523-E526 PolarHBondContact O-N 2.74Å; E526-R530 WeakPolarHBondContact O-CG 3.49Å; E526-R530 PolarHBondContact O-N 2.96Å; E526-R530 IonicContact OE1-CZ 3.52Å; E526-R530 IonicContact OE1-NH1 3.67Å; E526-R530 IonicContact OE1-NH2 2.69Å; E526-R530 PolarHBondContact OE1-NH2 3.46Å |
| 527 | N | 72.9 | Confident | 68.1 | Low | 13 Ų | 13 | 78.8 Ų | 78.8 | 7% | 0.07 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 172.4 | -77.1 | -20.8 | 0 | 0 | 0 | 112.1 | L523 D524 R530 L531 H911 | L523-N527 PolarHBondContact O-N 3.23Å; D524-N527 CarbonylContact O-C 3.6Å; D524-N527 PolarHBondContact O-N 3.47Å; N527-R530 PolarHBondContact O-N 3.44Å; N527-R530 PolarHBondContact OD1-NH1 2.95Å; N527-L531 PolarHBondContact O-N 2.99Å; N527-H911 PolarHBondContact ND2-O 3Å; N527-H911 VanDerWaalsContact ND2-O 3.16Å |
| 528 | R | 67.1 | Low | 68.5 | Low | 153 Ų | 153 | 76.9 Ų | 76.9 | 58% | 0.577 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.9 | -44 | 174.6 | -76 | 178.4 | -157.1 | -100.9 | 0.7 | 111.5 | D524 K525 R530 L531 D532 | D524-R528 VanDerWaalsContact CG-NE 3.3Å; D524-R528 VanDerWaalsContact O-CB 3.27Å; D524-R528 WeakPolarHBondContact O-CB 3.32Å; D524-R528 VanDerWaalsContact O-CG 3.22Å; D524-R528 WeakPolarHBondContact O-CG 3.49Å; D524-R528 PolarHBondContact O-N 3.42Å; D524-R528 IonicContact OD1-CZ 3.3Å; D524-R528 IonicContact OD1-NE 3.6Å; D524-R528 PolarHBondContact OD1-NE 3.49Å; D524-R528 IonicContact OD1-NH2 2.93Å; D524-R528 IonicContact OD2-CZ 3.26Å; D524-R528 IonicContact OD2-NE 2.78Å; D524-R528 PolarHBondContact OD2-NE 2.93Å; D524-R528 IonicContact OD2-NH2 3.12Å; D524-R528 PolarHBondContact OD2-NH2 3.2Å; K525-R528 CarbonylContact O-C 3.56Å; K525-R528 PolarHBondContact O-N 2.88Å; R528-R530 PolarHBondContact O-N 3.41Å; R528-L531 CarbonylContact O-C 3.58Å; R528-L531 WeakPolarHBondContact O-CA 3.47Å; R528-L531 WeakPolarHBondContact O-CB 3.45Å; R528-L531 PolarHBondContact O-N 3.44Å; R528-D532 WeakPolarHBondContact O-CB 3.35Å; R528-D532 PolarHBondContact O-N 3.19Å |
| 529 | E | 65.5 | Low | 68.7 | Low | 100 Ų | 100 | 75.8 Ų | 75.8 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.9 | -34.3 | 176.3 | -78.5 | 174.8 | -177.9 | 0 | 0 | 111.4 | K525 D532 T533 | K525-E529 WeakPolarHBondContact CE-OE1 3.16Å; K525-E529 HydrophobicContact CG-CG 4.27Å; K525-E529 IonicContact NZ-OE1 3.15Å; K525-E529 VanDerWaalsContact O-CB 3.29Å; K525-E529 WeakPolarHBondContact O-CB 3.27Å; K525-E529 VanDerWaalsContact O-CG 3.24Å; K525-E529 WeakPolarHBondContact O-CG 3.39Å; K525-E529 PolarHBondContact O-N 3.01Å; E529-D532 PolarHBondContact O-N 3.4Å; E529-T533 PolarHBondContact O-N 3.2Å; E529-T533 PolarHBondContact O-OG1 3.1Å |
| 530 | R | 63 | Low | 68.9 | Low | 83 Ų | 83 | 74 Ų | 74 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.8 | -30.5 | 171.3 | -72 | 175.6 | -177.1 | 123.6 | 8.5 | 113.7 | E526 N527 R528 T533 | E526-R530 WeakPolarHBondContact O-CG 3.49Å; E526-R530 PolarHBondContact O-N 2.96Å; E526-R530 IonicContact OE1-CZ 3.52Å; E526-R530 IonicContact OE1-NH1 3.67Å; E526-R530 IonicContact OE1-NH2 2.69Å; E526-R530 PolarHBondContact OE1-NH2 3.46Å; N527-R530 PolarHBondContact O-N 3.44Å; N527-R530 PolarHBondContact OD1-NH1 2.95Å; R528-R530 PolarHBondContact O-N 3.41Å; R530-T533 PolarHBondContact O-OG1 3Å |
| 531 | L | 66.6 | Low | 69 | Low | 84 Ų | 84 | 76.4 Ų | 76.4 | 44% | 0.44 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -81.3 | -33.3 | 171.5 | -81 | 161.6 | 0 | 0 | 0 | 112.1 | N527 R528 L534 H535 | N527-L531 PolarHBondContact O-N 2.99Å; R528-L531 CarbonylContact O-C 3.58Å; R528-L531 WeakPolarHBondContact O-CA 3.47Å; R528-L531 WeakPolarHBondContact O-CB 3.45Å; R528-L531 PolarHBondContact O-N 3.44Å; L531-L534 WeakPolarHBondContact O-CA 3.34Å; L531-L534 WeakPolarHBondContact O-CB 3.38Å; L531-L534 PolarHBondContact O-N 3.14Å; L531-H535 PolarHBondContact O-N 3.06Å; L531-H535 VanDerWaalsContact O-N 3.11Å |
| 532 | D | 66.9 | Low | 69.3 | Low | 79 Ų | 79 | 78.9 Ų | 78.9 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.4 | -32.4 | -176.4 | -153.8 | 44.4 | 0 | 0 | 0 | 110.2 | R528 E529 L534 H535 N536 | R528-D532 WeakPolarHBondContact O-CB 3.35Å; R528-D532 PolarHBondContact O-N 3.19Å; E529-D532 PolarHBondContact O-N 3.4Å; D532-L534 VanDerWaalsContact C-N 3.26Å; D532-L534 PolarHBondContact O-N 3.34Å; D532-H535 PolarHBondContact O-N 3.3Å; D532-N536 VanDerWaalsContact O-CB 3.23Å; D532-N536 WeakPolarHBondContact O-CB 3.34Å; D532-N536 PolarHBondContact O-N 3.08Å; D532-N536 PolarHBondContact OD1-ND2 3.44Å; D532-N536 PolarHBondContact OD2-ND2 3.29Å |
| 533 | T | 69 | Low | 69.5 | Low | 79 Ų | 79 | 78.6 Ų | 78.6 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -32.3 | 166.4 | 36 | 0 | 0 | 0 | 0 | 112.8 | E529 R530 S537 W538 | E529-T533 PolarHBondContact O-N 3.2Å; E529-T533 PolarHBondContact O-OG1 3.1Å; R530-T533 PolarHBondContact O-OG1 3Å; T533-S537 WeakPolarHBondContact O-CB 3.36Å; T533-S537 PolarHBondContact O-N 2.97Å; T533-S537 VanDerWaalsContact O-N 3.14Å; T533-W538 PolarHBondContact O-N 3.03Å |
| 534 | L | 68.6 | Low | 69.9 | Low | 30 Ų | 30 | 79.9 Ų | 79.9 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | I | π-helix | trans | -69.4 | -44.2 | 172.7 | -162.8 | 108.6 | 0 | 0 | 0 | 111.2 | L531 D532 L539 M902 I905 | L531-L534 WeakPolarHBondContact O-CA 3.34Å; L531-L534 WeakPolarHBondContact O-CB 3.38Å; L531-L534 PolarHBondContact O-N 3.14Å; D532-L534 VanDerWaalsContact C-N 3.26Å; D532-L534 PolarHBondContact O-N 3.34Å; L534-L539 WeakPolarHBondContact O-CB 3.37Å; L534-L539 PolarHBondContact O-N 2.76Å; L534-M902 HydrophobicContact CD2-CE 4.43Å; L534-I905 HydrophobicContact CD1-CB 4.06Å; L534-I905 HydrophobicContact CD1-CD1 4.28Å; L534-I905 HydrophobicContact CD1-CG2 3.39Å |
| 535 | H | 65.5 | Low | 70.2 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 51% | 0.514 | 39% | 0.39 | S | S | . | . | I | π-helix | trans | -74 | -39.3 | -177.6 | -175.7 | 59.2 | 0 | 0 | 0 | 113.8 | L531 D532 P540 | L531-H535 PolarHBondContact O-N 3.06Å; L531-H535 VanDerWaalsContact O-N 3.11Å; D532-H535 PolarHBondContact O-N 3.3Å; H535-P540 WeakPolarHBondContact O-CD 3.34Å; H535-P540 WeakPolarHBondContact O-CG 3.41Å |
| 536 | N | 66.2 | Low | 70.7 | Confident | 91 Ų | 91 | 74.7 Ų | 74.7 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | I | π-helix | trans | -100.7 | -20 | -170.4 | -65 | -28 | 0 | 0 | 0 | 114 | D532 P540 | D532-N536 VanDerWaalsContact O-CB 3.23Å; D532-N536 WeakPolarHBondContact O-CB 3.34Å; D532-N536 PolarHBondContact O-N 3.08Å; D532-N536 PolarHBondContact OD1-ND2 3.44Å; D532-N536 PolarHBondContact OD2-ND2 3.29Å; N536-P540 WeakPolarHBondContact O-CG 3.46Å |
| 537 | S | 69.9 | Low | 71.1 | Confident | 59 Ų | 59 | 73.3 Ų | 73.3 | 41% | 0.413 | 37% | 0.374 | S | S | . | . | I | π-helix | trans | -110 | -62 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | T533 P540 E541 | T533-S537 WeakPolarHBondContact O-CB 3.36Å; T533-S537 PolarHBondContact O-N 2.97Å; T533-S537 VanDerWaalsContact O-N 3.14Å; S537-P540 WeakPolarHBondContact O-CD 3.41Å; S537-E541 VanDerWaalsContact O-CB 3.27Å; S537-E541 WeakPolarHBondContact O-CB 3.38Å; S537-E541 VanDerWaalsContact O-CG 3.29Å; S537-E541 WeakPolarHBondContact O-CG 3.38Å; S537-E541 PolarHBondContact O-N 3.49Å |
| 538 | W | 75 | Confident | 71.4 | Confident | 44 Ų | 44 | 79.6 Ų | 79.6 | 17% | 0.167 | 40% | 0.396 | C | S | . | . | I | π-helix | trans | -69.9 | -47.2 | -169.6 | -174.8 | 85.8 | 0 | 0 | 0 | 112.8 | T533 E541 R542 I898 E901 M902 I905 | T533-W538 PolarHBondContact O-N 3.03Å; W538-E541 PolarHBondContact O-N 3.43Å; W538-R542 HydrophobicContact CZ2-CG 4.28Å; W538-R542 PolarHBondContact O-N 3.05Å; W538-I898 HydrophobicContact CH2-CG2 4.3Å; W538-E901 HydrophobicContact CH2-CB 4.24Å; W538-E901 HydrophobicContact CZ2-CB 3.75Å; W538-M902 HydrophobicContact CH2-CB 4.15Å; W538-M902 HydrophobicContact CZ3-CB 4.34Å; W538-M902 HydrophobicContact CZ3-CG 4.49Å; W538-I905 HydrophobicContact CD2-CD1 4.26Å; W538-I905 HydrophobicContact CG-CD1 4.49Å; W538-I905 HydrophobicContact CZ2-CD1 4.3Å |
| 539 | L | 73.6 | Confident | 71.9 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | -178.7 | -161.7 | 78.3 | 0 | 0 | 0 | 112.3 | L534 R542 L543 | L534-L539 WeakPolarHBondContact O-CB 3.37Å; L534-L539 PolarHBondContact O-N 2.76Å; L539-R542 PolarHBondContact O-N 3.4Å; L539-L543 HydrophobicContact CD1-CD1 4.26Å; L539-L543 HydrophobicContact CD2-CD1 4.32Å; L539-L543 HydrophobicContact CG-CD1 3.86Å; L539-L543 WeakPolarHBondContact O-CB 3.27Å; L539-L543 PolarHBondContact O-N 3.4Å |
| 540 | P | 70 | Confident | 72.5 | Confident | 48 Ų | 48 | 74.7 Ų | 74.7 | 31% | 0.312 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.5 | -37 | 175.9 | -22.2 | 37.8 | 0 | 0 | 0 | 112.3 | H535 N536 S537 R542 L543 T544 | H535-P540 WeakPolarHBondContact O-CD 3.34Å; H535-P540 WeakPolarHBondContact O-CG 3.41Å; N536-P540 WeakPolarHBondContact O-CG 3.46Å; S537-P540 WeakPolarHBondContact O-CD 3.41Å; P540-R542 PolarHBondContact O-N 3.11Å; P540-L543 PolarHBondContact O-N 3.18Å; P540-T544 WeakPolarHBondContact O-CB 3.47Å; P540-T544 PolarHBondContact O-N 3.44Å; P540-T544 PolarHBondContact O-OG1 3.43Å |
| 541 | E | 73.2 | Confident | 73.2 | Confident | 133 Ų | 133 | 76.8 Ų | 76.8 | 62% | 0.621 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57.1 | -35.2 | 175 | -88.1 | -176.9 | 156.8 | 0 | 0 | 112.5 | S537 W538 P545 | S537-E541 VanDerWaalsContact O-CB 3.27Å; S537-E541 WeakPolarHBondContact O-CB 3.38Å; S537-E541 VanDerWaalsContact O-CG 3.29Å; S537-E541 WeakPolarHBondContact O-CG 3.38Å; S537-E541 PolarHBondContact O-N 3.49Å; W538-E541 PolarHBondContact O-N 3.43Å; E541-P545 WeakPolarHBondContact O-CD 3.32Å; E541-P545 WeakPolarHBondContact O-CG 3.25Å |
| 542 | R | 74.5 | Confident | 73.8 | Confident | 119 Ų | 119 | 76 Ų | 76 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -86.9 | -37.9 | 179.3 | -71.5 | -57.9 | -160.2 | -164.4 | 5.7 | 114.5 | W538 L539 P540 E901 | W538-R542 HydrophobicContact CZ2-CG 4.28Å; W538-R542 PolarHBondContact O-N 3.05Å; L539-R542 PolarHBondContact O-N 3.4Å; P540-R542 PolarHBondContact O-N 3.11Å; R542-E901 IonicContact CZ-OE2 3.42Å; R542-E901 IonicContact NE-OE2 2.77Å; R542-E901 PolarHBondContact NE-OE2 2.73Å; R542-E901 IonicContact NH2-OE1 3.35Å; R542-E901 PolarHBondContact NH2-OE1 3.23Å; R542-E901 IonicContact NH2-OE2 2.75Å; R542-E901 PolarHBondContact NH2-OE2 3.1Å; R542-E901 VanDerWaalsContact NH2-OE2 3.12Å |
| 543 | L | 76.6 | Confident | 74.4 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 40% | 0.398 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -85.8 | -31.8 | -175.5 | -69.1 | 176.4 | 0 | 0 | 0 | 113.9 | L539 P540 V546 A547 I898 | L539-L543 HydrophobicContact CD1-CD1 4.26Å; L539-L543 HydrophobicContact CD2-CD1 4.32Å; L539-L543 HydrophobicContact CG-CD1 3.86Å; L539-L543 WeakPolarHBondContact O-CB 3.27Å; L539-L543 PolarHBondContact O-N 3.4Å; P540-L543 PolarHBondContact O-N 3.18Å; L543-V546 PolarHBondContact O-N 3.26Å; L543-A547 PolarHBondContact O-N 3.16Å; L543-I898 HydrophobicContact CD2-CD1 4.07Å |
| 544 | T | 78.3 | Confident | 74.8 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | -177.4 | -52.8 | 0 | 0 | 0 | 0 | 113.2 | P540 V546 A547 R548 | P540-T544 WeakPolarHBondContact O-CB 3.47Å; P540-T544 PolarHBondContact O-N 3.44Å; P540-T544 PolarHBondContact O-OG1 3.43Å; T544-V546 PolarHBondContact O-N 2.84Å; T544-A547 PolarHBondContact O-N 3.37Å; T544-R548 WeakPolarHBondContact O-CB 3.39Å; T544-R548 PolarHBondContact O-N 3.11Å |
| 545 | P | 76.8 | Confident | 75.4 | Confident | 49 Ų | 49 | 73 Ų | 73 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58 | -46.7 | 173.8 | -22.6 | 33.3 | 0 | 0 | 0 | 112.1 | E541 A547 R548 D549 | E541-P545 WeakPolarHBondContact O-CD 3.32Å; E541-P545 WeakPolarHBondContact O-CG 3.25Å; P545-A547 PolarHBondContact O-N 3.02Å; P545-R548 WeakPolarHBondContact O-CB 3.35Å; P545-R548 PolarHBondContact O-N 2.96Å; P545-R548 VanDerWaalsContact O-N 3.13Å; P545-D549 PolarHBondContact O-N 3.32Å |
| 546 | V | 77 | Confident | 76 | Confident | 12 Ų | 12 | 71.6 Ų | 71.6 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | -179.6 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | L543 T544 R548 D549 L550 I891 N894 L895 | L543-V546 PolarHBondContact O-N 3.26Å; T544-V546 PolarHBondContact O-N 2.84Å; V546-R548 VanDerWaalsContact C-N 3.32Å; V546-R548 PolarHBondContact O-N 3.13Å; V546-D549 PolarHBondContact O-N 3.4Å; V546-L550 HydrophobicContact CG1-CD1 4.41Å; V546-L550 PolarHBondContact O-N 2.93Å; V546-I891 HydrophobicContact CG1-CG2 4.27Å; V546-N894 HydrophobicContact CG2-CB 4.37Å; V546-L895 HydrophobicContact CG1-CD1 4.19Å; V546-L895 HydrophobicContact CG1-CD2 4.36Å; V546-L895 HydrophobicContact CG1-CG 4.1Å |
| 547 | A | 76.1 | Confident | 76.6 | Confident | 59 Ų | 59 | 70 Ų | 70 | 49% | 0.488 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L543 T544 P545 Q551 | L543-A547 PolarHBondContact O-N 3.16Å; T544-A547 PolarHBondContact O-N 3.37Å; P545-A547 PolarHBondContact O-N 3.02Å; A547-Q551 WeakPolarHBondContact O-CB 3.42Å; A547-Q551 PolarHBondContact O-N 3.21Å |
| 548 | R | 79.4 | Confident | 77 | Confident | 145 Ų | 145 | 74.1 Ų | 74.1 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 176.5 | -166.4 | -171.4 | -57.6 | 127.9 | -0.1 | 111.5 | T544 P545 V546 Q551 T552 | T544-R548 WeakPolarHBondContact O-CB 3.39Å; T544-R548 PolarHBondContact O-N 3.11Å; P545-R548 WeakPolarHBondContact O-CB 3.35Å; P545-R548 PolarHBondContact O-N 2.96Å; P545-R548 VanDerWaalsContact O-N 3.13Å; V546-R548 VanDerWaalsContact C-N 3.32Å; V546-R548 PolarHBondContact O-N 3.13Å; R548-Q551 PolarHBondContact O-N 2.97Å; R548-T552 WeakPolarHBondContact O-CB 3.45Å; R548-T552 PolarHBondContact O-N 3.44Å; R548-T552 PolarHBondContact O-OG1 3.26Å |
| 549 | D | 79 | Confident | 77.2 | Confident | 66 Ų | 66 | 76.6 Ų | 76.6 | 35% | 0.353 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 179.1 | -63.8 | -16.9 | 0 | 0 | 0 | 110.9 | P545 V546 Q551 T552 L553 I891 | P545-D549 PolarHBondContact O-N 3.32Å; V546-D549 PolarHBondContact O-N 3.4Å; D549-Q551 PolarHBondContact O-N 2.89Å; D549-T552 PolarHBondContact O-N 3.44Å; D549-L553 WeakPolarHBondContact O-CB 3.48Å; D549-L553 PolarHBondContact O-N 3.02Å; D549-I891 HydrophobicContact CB-CD1 4.22Å; D549-I891 HydrophobicContact CB-CG1 4.1Å |
| 550 | L | 76.5 | Confident | 77.6 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 172.9 | -80.7 | 168.5 | 0 | 0 | 0 | 112.6 | V546 T552 L553 A554 I891 | V546-L550 HydrophobicContact CG1-CD1 4.41Å; V546-L550 PolarHBondContact O-N 2.93Å; L550-T552 VanDerWaalsContact C-N 3.33Å; L550-L553 PolarHBondContact O-N 3.47Å; L550-A554 WeakPolarHBondContact O-CB 3.49Å; L550-A554 PolarHBondContact O-N 2.94Å; L550-I891 HydrophobicContact CD2-CD1 4.03Å; L550-I891 HydrophobicContact CD2-CG2 4.3Å; L550-I891 HydrophobicContact CG-CD1 4.21Å; L550-I891 HydrophobicContact CG-CG2 4.29Å |
| 551 | Q | 79 | Confident | 77.9 | Confident | 128 Ų | 128 | 77.7 Ų | 77.7 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.6 | -39.2 | 177.4 | -172 | 63.2 | 33.6 | 0 | 0 | 111.5 | A547 R548 D549 A554 T555 | A547-Q551 WeakPolarHBondContact O-CB 3.42Å; A547-Q551 PolarHBondContact O-N 3.21Å; R548-Q551 PolarHBondContact O-N 2.97Å; D549-Q551 PolarHBondContact O-N 2.89Å; Q551-A554 PolarHBondContact O-N 3.2Å; Q551-T555 PolarHBondContact O-N 3.47Å; Q551-T555 PolarHBondContact O-OG1 3.33Å |
| 552 | T | 79.5 | Confident | 78.2 | Confident | 68 Ų | 68 | 74.4 Ų | 74.4 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 176.9 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | R548 D549 L550 A554 T555 Q556 | R548-T552 WeakPolarHBondContact O-CB 3.45Å; R548-T552 PolarHBondContact O-N 3.44Å; R548-T552 PolarHBondContact O-OG1 3.26Å; D549-T552 PolarHBondContact O-N 3.44Å; L550-T552 VanDerWaalsContact C-N 3.33Å; T552-A554 PolarHBondContact O-N 2.91Å; T552-T555 WeakPolarHBondContact O-CB 3.42Å; T552-T555 PolarHBondContact O-N 3.27Å; T552-T555 VanDerWaalsContact O-N 3.17Å; T552-Q556 WeakPolarHBondContact O-CG 3.35Å; T552-Q556 PolarHBondContact O-N 3.48Å |
| 553 | L | 79.2 | Confident | 78.5 | Confident | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.052 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.1 | -176.8 | 63.6 | 0 | 0 | 0 | 112.1 | D549 L550 T555 Q556 V557 F884 F888 I891 | D549-L553 WeakPolarHBondContact O-CB 3.48Å; D549-L553 PolarHBondContact O-N 3.02Å; L550-L553 PolarHBondContact O-N 3.47Å; L553-T555 PolarHBondContact O-N 3.23Å; L553-Q556 PolarHBondContact O-N 3.03Å; L553-V557 WeakPolarHBondContact O-CG2 3.44Å; L553-V557 PolarHBondContact O-N 3.45Å; L553-F884 HydrophobicContact CD1-CD1 3.84Å; L553-F888 HydrophobicContact CD2-CD1 4.24Å; L553-F888 HydrophobicContact CD2-CD2 4.11Å; L553-F888 HydrophobicContact CD2-CE1 3.99Å; L553-F888 HydrophobicContact CD2-CE2 3.84Å; L553-F888 HydrophobicContact CD2-CG 4.29Å; L553-F888 HydrophobicContact CD2-CZ 3.77Å; L553-I891 HydrophobicContact CD2-CD1 4.17Å |
| 554 | A | 77.1 | Confident | 78.5 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.6 | -36.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L550 Q551 T552 K558 | L550-A554 WeakPolarHBondContact O-CB 3.49Å; L550-A554 PolarHBondContact O-N 2.94Å; Q551-A554 PolarHBondContact O-N 3.2Å; T552-A554 PolarHBondContact O-N 2.91Å; A554-K558 WeakPolarHBondContact O-CB 3.16Å; A554-K558 PolarHBondContact O-N 3.1Å; A554-K558 VanDerWaalsContact O-N 3.16Å |
| 555 | T | 80.1 | Confident | 78.3 | Confident | 60 Ų | 60 | 75.3 Ų | 75.3 | 37% | 0.368 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.5 | -45.3 | 177.9 | -46.9 | 0 | 0 | 0 | 0 | 110.9 | Q551 T552 L553 V557 K558 D559 | Q551-T555 PolarHBondContact O-N 3.47Å; Q551-T555 PolarHBondContact O-OG1 3.33Å; T552-T555 WeakPolarHBondContact O-CB 3.42Å; T552-T555 PolarHBondContact O-N 3.27Å; T552-T555 VanDerWaalsContact O-N 3.17Å; L553-T555 PolarHBondContact O-N 3.23Å; T555-V557 VanDerWaalsContact C-N 3.34Å; T555-V557 PolarHBondContact O-N 2.98Å; T555-K558 WeakPolarHBondContact O-CB 3.39Å; T555-K558 PolarHBondContact O-N 3.43Å; T555-K558 VanDerWaalsContact O-N 3.16Å; T555-D559 VanDerWaalsContact O-CG 3.31Å; T555-D559 PolarHBondContact O-N 3.23Å |
| 556 | Q | 79.2 | Confident | 78.5 | Confident | 80 Ų | 80 | 77.6 Ų | 77.6 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 177 | -69.5 | 173.1 | -19.2 | 0 | 0 | 112.8 | T552 L553 D559 F560 F884 | T552-Q556 WeakPolarHBondContact O-CG 3.35Å; T552-Q556 PolarHBondContact O-N 3.48Å; L553-Q556 PolarHBondContact O-N 3.03Å; Q556-D559 PolarHBondContact O-N 3.34Å; Q556-F560 PolarHBondContact O-N 3.34Å; Q556-F884 HydrophobicContact CB-CE1 3.97Å |
| 557 | V | 78.8 | Confident | 78.5 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L553 T555 F560 C561 F884 | L553-V557 WeakPolarHBondContact O-CG2 3.44Å; L553-V557 PolarHBondContact O-N 3.45Å; T555-V557 VanDerWaalsContact C-N 3.34Å; T555-V557 PolarHBondContact O-N 2.98Å; V557-F560 PolarHBondContact O-N 3.46Å; V557-C561 PolarHBondContact O-N 3.37Å; V557-C561 VanDerWaalsContact O-N 3.14Å; V557-C561 PolarHBondContact O-SG 2.84Å; V557-F884 HydrophobicContact CB-CZ 4.46Å; V557-F884 HydrophobicContact CG2-CD1 4.15Å; V557-F884 HydrophobicContact CG2-CE1 3.82Å; V557-F884 HydrophobicContact CG2-CE2 4.21Å; V557-F884 HydrophobicContact CG2-CG 4.49Å; V557-F884 HydrophobicContact CG2-CZ 3.86Å |
| 558 | K | 77.5 | Confident | 78.2 | Confident | 144 Ų | 144 | 78.9 Ų | 78.9 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.7 | -46.9 | 176.8 | -176 | -175.6 | 176.1 | -172.9 | 0 | 111.4 | A554 T555 F560 C561 V562 | A554-K558 WeakPolarHBondContact O-CB 3.16Å; A554-K558 PolarHBondContact O-N 3.1Å; A554-K558 VanDerWaalsContact O-N 3.16Å; T555-K558 WeakPolarHBondContact O-CB 3.39Å; T555-K558 PolarHBondContact O-N 3.43Å; T555-K558 VanDerWaalsContact O-N 3.16Å; K558-F560 VanDerWaalsContact C-N 3.29Å; K558-F560 PolarHBondContact O-N 3.07Å; K558-C561 WeakPolarHBondContact O-CB 3.46Å; K558-C561 PolarHBondContact O-N 3.32Å; K558-C561 VanDerWaalsContact O-N 3.15Å; K558-V562 PolarHBondContact O-N 3.45Å; K558-V562 VanDerWaalsContact O-N 3.14Å |
| 559 | D | 80.4 | Confident | 78 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | -179.4 | -67.2 | -17 | 0 | 0 | 0 | 111.6 | T555 Q556 V562 F563 | T555-D559 VanDerWaalsContact O-CG 3.31Å; T555-D559 PolarHBondContact O-N 3.23Å; Q556-D559 PolarHBondContact O-N 3.34Å; D559-V562 PolarHBondContact O-N 2.83Å; D559-F563 PolarHBondContact O-N 3.48Å |
| 560 | F | 80.6 | Confident | 77.9 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 173.3 | -179.4 | -108.4 | 0 | 0 | 0 | 112.6 | Q556 V557 K558 V562 F563 V564 R880 F884 | Q556-F560 PolarHBondContact O-N 3.34Å; V557-F560 PolarHBondContact O-N 3.46Å; K558-F560 VanDerWaalsContact C-N 3.29Å; K558-F560 PolarHBondContact O-N 3.07Å; F560-V562 VanDerWaalsContact C-N 3.32Å; F560-V562 PolarHBondContact O-N 3.46Å; F560-F563 HydrophobicContact CD2-CD1 4.38Å; F560-F563 HydrophobicContact CE2-CD1 4.38Å; F560-F563 WeakPolarHBondContact O-CB 3.49Å; F560-F563 PolarHBondContact O-N 3.5Å; F560-V564 HydrophobicContact CD1-CG2 4.41Å; F560-V564 HydrophobicContact CE1-CG2 3.95Å; F560-V564 HydrophobicContact CE2-CG2 4.1Å; F560-V564 HydrophobicContact CZ-CG2 3.78Å; F560-V564 WeakPolarHBondContact O-CG2 3.36Å; F560-V564 PolarHBondContact O-N 2.82Å; F560-R880 HydrophobicContact CD2-CB 4.04Å; F560-R880 HydrophobicContact CD2-CG 3.68Å; F560-R880 HydrophobicContact CE2-CB 3.99Å; F560-R880 HydrophobicContact CE2-CG 4.09Å; F560-R880 HydrophobicContact CG-CB 4.49Å; F560-R880 HydrophobicContact CG-CG 4.16Å; F560-R880 HydrophobicContact CZ-CB 4.42Å; F560-F884 HydrophobicContact CB-CZ 4.19Å; F560-F884 HydrophobicContact CD1-CE2 4.38Å |
| 561 | C | 76.7 | Confident | 77.8 | Confident | 76 Ų | 76 | 73 Ų | 73 | 51% | 0.514 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.7 | -65.7 | 0 | 0 | 0 | 0 | 112 | V557 K558 V564 Q565 | V557-C561 PolarHBondContact O-N 3.37Å; V557-C561 VanDerWaalsContact O-N 3.14Å; V557-C561 PolarHBondContact O-SG 2.84Å; K558-C561 WeakPolarHBondContact O-CB 3.46Å; K558-C561 PolarHBondContact O-N 3.32Å; K558-C561 VanDerWaalsContact O-N 3.15Å; C561-V564 PolarHBondContact O-N 2.9Å; C561-Q565 PolarHBondContact O-N 2.95Å; C561-Q565 VanDerWaalsContact O-N 3.08Å |
| 562 | V | 78.9 | Confident | 77.3 | Confident | 64 Ų | 64 | 74.8 Ų | 74.8 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | K558 D559 F560 V564 Q565 D566 | K558-V562 PolarHBondContact O-N 3.45Å; K558-V562 VanDerWaalsContact O-N 3.14Å; D559-V562 PolarHBondContact O-N 2.83Å; F560-V562 VanDerWaalsContact C-N 3.32Å; F560-V562 PolarHBondContact O-N 3.46Å; V562-V564 VanDerWaalsContact C-N 3.34Å; V562-V564 PolarHBondContact O-N 2.97Å; V562-Q565 WeakPolarHBondContact O-CB 3.46Å; V562-Q565 PolarHBondContact O-N 2.83Å; V562-Q565 VanDerWaalsContact O-N 3.16Å; V562-D566 PolarHBondContact O-N 3.36Å |
| 563 | F | 81.8 | Confident | 77.2 | Confident | 91 Ų | 91 | 77.3 Ų | 77.3 | 40% | 0.399 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 175.9 | 168.4 | -96.7 | 0 | 0 | 0 | 113.2 | D559 F560 S567 A876 | D559-F563 PolarHBondContact O-N 3.48Å; F560-F563 HydrophobicContact CD2-CD1 4.38Å; F560-F563 HydrophobicContact CE2-CD1 4.38Å; F560-F563 WeakPolarHBondContact O-CB 3.49Å; F560-F563 PolarHBondContact O-N 3.5Å; F563-S567 VanDerWaalsContact O-CB 3.28Å; F563-S567 WeakPolarHBondContact O-CB 3.26Å; F563-S567 PolarHBondContact O-N 3.47Å; F563-S567 PolarHBondContact O-OG 3.23Å; F563-A876 HydrophobicContact CE1-CB 3.65Å; F563-A876 HydrophobicContact CZ-CB 4.1Å |
| 564 | V | 77.3 | Confident | 77 | Confident | 51 Ų | 51 | 80 Ų | 80 | 31% | 0.309 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F560 C561 V562 T568 | F560-V564 HydrophobicContact CD1-CG2 4.41Å; F560-V564 HydrophobicContact CE1-CG2 3.95Å; F560-V564 HydrophobicContact CE2-CG2 4.1Å; F560-V564 HydrophobicContact CZ-CG2 3.78Å; F560-V564 WeakPolarHBondContact O-CG2 3.36Å; F560-V564 PolarHBondContact O-N 2.82Å; C561-V564 PolarHBondContact O-N 2.9Å; V562-V564 VanDerWaalsContact C-N 3.34Å; V562-V564 PolarHBondContact O-N 2.97Å; V564-T568 WeakPolarHBondContact O-CB 3.49Å; V564-T568 PolarHBondContact O-N 2.91Å; V564-T568 PolarHBondContact O-OG1 2.87Å |
| 565 | Q | 74 | Confident | 76.9 | Confident | 138 Ų | 138 | 80.4 Ų | 80.4 | 65% | 0.645 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.4 | -48.7 | 178 | -177.9 | 177.3 | -12.4 | 0 | 0 | 111.9 | C561 V562 T568 S569 | C561-Q565 PolarHBondContact O-N 2.95Å; C561-Q565 VanDerWaalsContact O-N 3.08Å; V562-Q565 WeakPolarHBondContact O-CB 3.46Å; V562-Q565 PolarHBondContact O-N 2.83Å; V562-Q565 VanDerWaalsContact O-N 3.16Å; Q565-T568 PolarHBondContact O-N 3.48Å; Q565-S569 PolarHBondContact O-N 3.5Å; Q565-S569 VanDerWaalsContact O-N 3.09Å |
| 566 | D | 79.5 | Confident | 76.4 | Confident | 97 Ų | 97 | 83.6 Ų | 83.6 | 52% | 0.519 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | -178.9 | -70.5 | -16.5 | 0 | 0 | 0 | 111.4 | V562 T568 S569 D570 | V562-D566 PolarHBondContact O-N 3.36Å; D566-T568 VanDerWaalsContact C-N 3.33Å; D566-T568 PolarHBondContact O-N 2.67Å; D566-S569 WeakPolarHBondContact O-CB 3.27Å; D566-S569 PolarHBondContact O-N 2.83Å; D566-S569 VanDerWaalsContact O-N 3.15Å; D566-D570 PolarHBondContact O-N 3.47Å |
| 567 | S | 78.1 | Confident | 76.3 | Confident | 23 Ų | 23 | 84.1 Ų | 84.1 | 16% | 0.161 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | F563 S569 D570 L571 | F563-S567 VanDerWaalsContact O-CB 3.28Å; F563-S567 WeakPolarHBondContact O-CB 3.26Å; F563-S567 PolarHBondContact O-N 3.47Å; F563-S567 PolarHBondContact O-OG 3.23Å; S567-S569 VanDerWaalsContact C-N 3.33Å; S567-D570 PolarHBondContact O-N 2.94Å; S567-L571 WeakPolarHBondContact O-CB 3.19Å; S567-L571 PolarHBondContact O-N 3.35Å |
| 568 | T | 69.7 | Low | 75.7 | Confident | 76 Ų | 76 | 81.9 Ų | 81.9 | 47% | 0.466 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.4 | -35.4 | 175.7 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | V564 Q565 D566 K572 | V564-T568 WeakPolarHBondContact O-CB 3.49Å; V564-T568 PolarHBondContact O-N 2.91Å; V564-T568 PolarHBondContact O-OG1 2.87Å; Q565-T568 PolarHBondContact O-N 3.48Å; D566-T568 VanDerWaalsContact C-N 3.33Å; D566-T568 PolarHBondContact O-N 2.67Å; T568-K572 PolarHBondContact O-N 3.26Å; T568-K572 VanDerWaalsContact O-N 3.16Å |
| 569 | S | 74.3 | Confident | 75.2 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 51% | 0.51 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 174.7 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | Q565 D566 S567 K572 E573 | Q565-S569 PolarHBondContact O-N 3.5Å; Q565-S569 VanDerWaalsContact O-N 3.09Å; D566-S569 WeakPolarHBondContact O-CB 3.27Å; D566-S569 PolarHBondContact O-N 2.83Å; D566-S569 VanDerWaalsContact O-N 3.15Å; S567-S569 VanDerWaalsContact C-N 3.33Å; S569-K572 WeakPolarHBondContact O-CB 3.37Å; S569-K572 PolarHBondContact O-N 2.99Å; S569-E573 PolarHBondContact O-N 3.03Å |
| 570 | D | 77 | Confident | 74.7 | Confident | 67 Ų | 67 | 77.6 Ų | 77.6 | 36% | 0.358 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.5 | -171.3 | 41.8 | 0 | 0 | 0 | 111.5 | D566 S567 K572 E573 K574 I869 | D566-D570 PolarHBondContact O-N 3.47Å; S567-D570 PolarHBondContact O-N 2.94Å; D570-K572 VanDerWaalsContact C-N 3.32Å; D570-K572 PolarHBondContact O-N 3.48Å; D570-E573 PolarHBondContact O-N 2.96Å; D570-K574 WeakPolarHBondContact O-CG 3.45Å; D570-K574 PolarHBondContact O-N 2.87Å; D570-I869 WeakPolarHBondContact OD2-CD1 3.48Å |
| 571 | L | 76 | Confident | 74.2 | Confident | 29 Ų | 29 | 78 Ų | 78 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -57 | -45 | 175 | -179.1 | 65 | 0 | 0 | 0 | 112 | S567 E573 K574 V575 P866 I869 L870 | S567-L571 WeakPolarHBondContact O-CB 3.19Å; S567-L571 PolarHBondContact O-N 3.35Å; L571-E573 VanDerWaalsContact C-N 3.34Å; L571-E573 PolarHBondContact O-N 3.41Å; L571-K574 PolarHBondContact O-N 2.92Å; L571-V575 HydrophobicContact CD1-CG2 4.04Å; L571-V575 HydrophobicContact CG-CG2 4.33Å; L571-V575 WeakPolarHBondContact O-CB 3.48Å; L571-V575 VanDerWaalsContact O-CG2 3.25Å; L571-V575 WeakPolarHBondContact O-CG2 3.48Å; L571-V575 PolarHBondContact O-N 2.95Å; L571-P866 HydrophobicContact CD1-CB 4.24Å; L571-P866 WeakPolarHBondContact CD1-O 3.08Å; L571-I869 HydrophobicContact CB-CG2 3.9Å; L571-I869 HydrophobicContact CD1-CB 4.07Å; L571-I869 HydrophobicContact CD1-CG2 4.11Å; L571-L870 HydrophobicContact CD2-CD1 3.99Å |
| 572 | K | 68.6 | Low | 73.5 | Confident | 166 Ų | 166 | 75.5 Ų | 75.5 | 72% | 0.722 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.7 | -45.2 | 178.9 | 179.1 | -174.4 | 173 | -174 | 0 | 111.4 | T568 S569 D570 M576 | T568-K572 PolarHBondContact O-N 3.26Å; T568-K572 VanDerWaalsContact O-N 3.16Å; S569-K572 WeakPolarHBondContact O-CB 3.37Å; S569-K572 PolarHBondContact O-N 2.99Å; D570-K572 VanDerWaalsContact C-N 3.32Å; D570-K572 PolarHBondContact O-N 3.48Å; K572-M576 WeakPolarHBondContact O-CB 3.35Å; K572-M576 PolarHBondContact O-N 3.35Å |
| 573 | E | 75.9 | Confident | 72.9 | Confident | 121 Ų | 121 | 76.2 Ų | 76.2 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.8 | -47.7 | 179.1 | -174.7 | 170.5 | 176.5 | 0 | 0 | 111.4 | S569 D570 L571 V575 M576 I577 | S569-E573 PolarHBondContact O-N 3.03Å; D570-E573 PolarHBondContact O-N 2.96Å; L571-E573 VanDerWaalsContact C-N 3.34Å; L571-E573 PolarHBondContact O-N 3.41Å; E573-V575 PolarHBondContact O-N 2.94Å; E573-M576 WeakPolarHBondContact O-CB 3.35Å; E573-M576 PolarHBondContact O-N 3.36Å; E573-I577 HydrophobicContact CG-CD1 4.15Å; E573-I577 WeakPolarHBondContact O-CG1 3.47Å; E573-I577 PolarHBondContact O-N 3.43Å; E573-I577 VanDerWaalsContact O-N 3.11Å |
| 574 | K | 76.5 | Confident | 72.3 | Confident | 67 Ų | 67 | 79 Ų | 79 | 29% | 0.291 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.3 | -37.4 | -178.6 | -63.2 | -145.1 | -164.7 | -179.8 | 0 | 113.5 | D570 L571 M576 I577 S578 E865 I869 | D570-K574 WeakPolarHBondContact O-CG 3.45Å; D570-K574 PolarHBondContact O-N 2.87Å; L571-K574 PolarHBondContact O-N 2.92Å; K574-M576 VanDerWaalsContact C-N 3.32Å; K574-M576 PolarHBondContact O-N 2.92Å; K574-I577 PolarHBondContact O-N 3.46Å; K574-S578 WeakPolarHBondContact O-CB 3.49Å; K574-S578 PolarHBondContact O-N 3.18Å; K574-E865 HydrophobicContact CD-CB 4.37Å; K574-E865 IonicContact NZ-OE2 2.72Å; K574-E865 PolarHBondContact NZ-OE2 3.2Å; K574-I869 HydrophobicContact CB-CD1 4.4Å; K574-I869 HydrophobicContact CD-CD1 3.7Å; K574-I869 HydrophobicContact CG-CD1 4.1Å |
| 575 | V | 73.5 | Confident | 71.8 | Confident | 63 Ų | 63 | 78.5 Ų | 78.5 | 38% | 0.382 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 174.6 | 169.7 | 0 | 0 | 0 | 0 | 111 | L571 E573 S578 T579 P866 | L571-V575 HydrophobicContact CD1-CG2 4.04Å; L571-V575 HydrophobicContact CG-CG2 4.33Å; L571-V575 WeakPolarHBondContact O-CB 3.48Å; L571-V575 VanDerWaalsContact O-CG2 3.25Å; L571-V575 WeakPolarHBondContact O-CG2 3.48Å; L571-V575 PolarHBondContact O-N 2.95Å; E573-V575 PolarHBondContact O-N 2.94Å; V575-S578 PolarHBondContact O-N 3.24Å; V575-T579 WeakPolarHBondContact O-CB 3.43Å; V575-T579 PolarHBondContact O-N 3.42Å; V575-T579 PolarHBondContact O-OG1 3.22Å; V575-P866 HydrophobicContact CG2-CB 3.85Å; V575-P866 HydrophobicContact CG2-CG 4.24Å |
| 576 | M | 71.3 | Confident | 70.9 | Confident | 128 Ų | 128 | 76.9 Ų | 76.9 | 63% | 0.631 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.4 | -46.4 | 178 | -171 | 73.9 | 169.1 | 0 | 0 | 111.6 | K572 E573 K574 T579 C580 | K572-M576 WeakPolarHBondContact O-CB 3.35Å; K572-M576 PolarHBondContact O-N 3.35Å; E573-M576 WeakPolarHBondContact O-CB 3.35Å; E573-M576 PolarHBondContact O-N 3.36Å; K574-M576 VanDerWaalsContact C-N 3.32Å; K574-M576 PolarHBondContact O-N 2.92Å; M576-T579 PolarHBondContact O-N 3.16Å; M576-C580 PolarHBondContact O-N 3.13Å; M576-C580 PolarHBondContact O-SG 3.26Å; M576-C580 VanDerWaalsContact O-SG 3.4Å |
| 577 | I | 75.2 | Confident | 70.1 | Confident | 90 Ų | 90 | 81.7 Ų | 81.7 | 46% | 0.462 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 178 | -65.6 | 168.4 | 0 | 0 | 0 | 110.7 | E573 K574 T579 C580 N581 | E573-I577 HydrophobicContact CG-CD1 4.15Å; E573-I577 WeakPolarHBondContact O-CG1 3.47Å; E573-I577 PolarHBondContact O-N 3.43Å; E573-I577 VanDerWaalsContact O-N 3.11Å; K574-I577 PolarHBondContact O-N 3.46Å; I577-T579 PolarHBondContact O-N 2.9Å; I577-C580 PolarHBondContact O-N 3.5Å; I577-N581 PolarHBondContact O-N 3.4Å; I577-N581 PolarHBondContact O-ND2 3.48Å |
| 578 | S | 67.6 | Low | 69.5 | Low | 13 Ų | 13 | 85.8 Ų | 85.8 | 9% | 0.091 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 177.8 | -172.7 | 0 | 0 | 0 | 0 | 112 | K574 V575 C580 N581 A582 S862 | K574-S578 WeakPolarHBondContact O-CB 3.49Å; K574-S578 PolarHBondContact O-N 3.18Å; V575-S578 PolarHBondContact O-N 3.24Å; S578-C580 PolarHBondContact O-N 3.42Å; S578-N581 PolarHBondContact O-N 3.07Å; S578-A582 PolarHBondContact O-N 2.95Å; S578-S862 WeakPolarHBondContact CB-O 3.48Å; S578-S862 PolarHBondContact OG-O 3.27Å |
| 579 | T | 67.6 | Low | 68.7 | Low | 77 Ų | 77 | 84.4 Ų | 84.4 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 178.5 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | V575 M576 I577 N581 A582 V583 | V575-T579 WeakPolarHBondContact O-CB 3.43Å; V575-T579 PolarHBondContact O-N 3.42Å; V575-T579 PolarHBondContact O-OG1 3.22Å; M576-T579 PolarHBondContact O-N 3.16Å; I577-T579 PolarHBondContact O-N 2.9Å; T579-N581 PolarHBondContact O-N 3.46Å; T579-A582 PolarHBondContact O-N 3.47Å; T579-V583 WeakPolarHBondContact O-CG2 3.28Å; T579-V583 PolarHBondContact O-N 2.99Å; T579-V583 VanDerWaalsContact O-N 3.15Å |
| 580 | C | 69.4 | Low | 68 | Low | 73 Ų | 73 | 85.3 Ų | 85.3 | 49% | 0.493 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.7 | -73.4 | 0 | 0 | 0 | 0 | 112.1 | M576 I577 S578 V583 R584 | M576-C580 PolarHBondContact O-N 3.13Å; M576-C580 PolarHBondContact O-SG 3.26Å; M576-C580 VanDerWaalsContact O-SG 3.4Å; I577-C580 PolarHBondContact O-N 3.5Å; S578-C580 PolarHBondContact O-N 3.42Å; C580-V583 PolarHBondContact O-N 2.96Å; C580-R584 PolarHBondContact O-N 2.92Å |
| 581 | N | 68.9 | Low | 67.3 | Low | 55 Ų | 55 | 87.7 Ų | 87.7 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177 | -77.4 | -29 | 0 | 0 | 0 | 112.1 | I577 S578 T579 R584 V585 | I577-N581 PolarHBondContact O-N 3.4Å; I577-N581 PolarHBondContact O-ND2 3.48Å; S578-N581 PolarHBondContact O-N 3.07Å; T579-N581 PolarHBondContact O-N 3.46Å; N581-R584 PolarHBondContact O-N 3.19Å; N581-R584 PolarHBondContact OD1-NH2 3.35Å; N581-V585 WeakPolarHBondContact O-CG2 3.22Å; N581-V585 PolarHBondContact O-N 2.99Å |
| 582 | A | 63.3 | Low | 66.6 | Low | 23 Ų | 23 | 92.3 Ų | 92.3 | 19% | 0.19 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.5 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S578 T579 R584 V585 Q586 L859 | S578-A582 PolarHBondContact O-N 2.95Å; T579-A582 PolarHBondContact O-N 3.47Å; A582-R584 VanDerWaalsContact C-N 3.34Å; A582-R584 PolarHBondContact O-N 3Å; A582-V585 PolarHBondContact O-N 3.47Å; A582-Q586 WeakPolarHBondContact O-CG 3.41Å; A582-Q586 PolarHBondContact O-N 3.34Å; A582-Q586 VanDerWaalsContact O-N 3.11Å; A582-L859 HydrophobicContact CB-CD2 3.59Å |
| 583 | V | 65.1 | Low | 65.8 | Low | 79 Ų | 79 | 87.6 Ų | 87.6 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | T579 C580 Q586 R587 | T579-V583 WeakPolarHBondContact O-CG2 3.28Å; T579-V583 PolarHBondContact O-N 2.99Å; T579-V583 VanDerWaalsContact O-N 3.15Å; C580-V583 PolarHBondContact O-N 2.96Å; V583-Q586 PolarHBondContact O-N 3.45Å; V583-R587 PolarHBondContact O-N 3Å; V583-R587 VanDerWaalsContact O-N 3.09Å |
| 584 | R | 69.1 | Low | 64.7 | Low | 149 Ų | 149 | 90.6 Ų | 90.6 | 56% | 0.562 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.4 | -48.8 | 177.3 | -176.3 | -179.7 | 63.7 | 166.2 | -1.6 | 111.8 | C580 N581 A582 Q586 R587 E588 | C580-R584 PolarHBondContact O-N 2.92Å; N581-R584 PolarHBondContact O-N 3.19Å; N581-R584 PolarHBondContact OD1-NH2 3.35Å; A582-R584 VanDerWaalsContact C-N 3.34Å; A582-R584 PolarHBondContact O-N 3Å; R584-Q586 VanDerWaalsContact C-N 3.33Å; R584-Q586 PolarHBondContact O-N 3.39Å; R584-R587 PolarHBondContact O-N 3.24Å; R584-E588 PolarHBondContact O-N 2.73Å; R584-E588 VanDerWaalsContact O-N 3.17Å |
| 585 | V | 66.6 | Low | 63.9 | Low | 41 Ų | 41 | 91 Ų | 91 | 25% | 0.248 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 179.7 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | N581 A582 R587 E588 M589 M855 | N581-V585 WeakPolarHBondContact O-CG2 3.22Å; N581-V585 PolarHBondContact O-N 2.99Å; A582-V585 PolarHBondContact O-N 3.47Å; V585-R587 VanDerWaalsContact C-N 3.34Å; V585-R587 PolarHBondContact O-N 3.45Å; V585-E588 PolarHBondContact O-N 3.03Å; V585-M589 PolarHBondContact O-N 3.01Å; V585-M855 HydrophobicContact CG1-CE 4.48Å; V585-M855 HydrophobicContact CG1-CG 4.06Å |
| 586 | Q | 56.7 | Low | 63.1 | Low | 105 Ų | 105 | 93.1 Ų | 93.1 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 175.8 | -74.2 | 179.9 | -13 | 0 | 0 | 112.4 | A582 V583 R584 M589 V590 | A582-Q586 WeakPolarHBondContact O-CG 3.41Å; A582-Q586 PolarHBondContact O-N 3.34Å; A582-Q586 VanDerWaalsContact O-N 3.11Å; V583-Q586 PolarHBondContact O-N 3.45Å; R584-Q586 VanDerWaalsContact C-N 3.33Å; R584-Q586 PolarHBondContact O-N 3.39Å; Q586-M589 PolarHBondContact O-N 2.92Å; Q586-V590 PolarHBondContact O-N 2.97Å |
| 587 | R | 62.6 | Low | 62 | Low | 198 Ų | 198 | 92.1 Ų | 92.1 | 75% | 0.747 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.6 | -40.7 | -179.5 | -153.1 | -179.2 | -135.4 | 157.1 | 3.4 | 112.5 | V583 R584 V585 M589 V590 Q591 | V583-R587 PolarHBondContact O-N 3Å; V583-R587 VanDerWaalsContact O-N 3.09Å; R584-R587 PolarHBondContact O-N 3.24Å; V585-R587 VanDerWaalsContact C-N 3.34Å; V585-R587 PolarHBondContact O-N 3.45Å; R587-M589 VanDerWaalsContact C-N 3.31Å; R587-M589 PolarHBondContact O-N 3.03Å; R587-V590 PolarHBondContact O-N 2.78Å; R587-Q591 PolarHBondContact O-N 3.36Å |
| 588 | E | 64.9 | Low | 61.1 | Low | 109 Ų | 109 | 90 Ų | 90 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 175.8 | -73.6 | -178.6 | -179.6 | 0 | 0 | 112.5 | R584 V585 Q591 K592 | R584-E588 PolarHBondContact O-N 2.73Å; R584-E588 VanDerWaalsContact O-N 3.17Å; V585-E588 PolarHBondContact O-N 3.03Å; E588-Q591 PolarHBondContact O-N 3.19Å; E588-K592 PolarHBondContact O-N 3.19Å; E588-K592 VanDerWaalsContact O-N 3.08Å |
| 589 | M | 53.2 | Low | 60.3 | Low | 46 Ų | 46 | 94.5 Ų | 94.5 | 23% | 0.227 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 176.8 | -175.8 | -162.3 | -175.3 | 0 | 0 | 112.1 | V585 Q586 R587 Q591 K592 L593 M855 | V585-M589 PolarHBondContact O-N 3.01Å; Q586-M589 PolarHBondContact O-N 2.92Å; R587-M589 VanDerWaalsContact C-N 3.31Å; R587-M589 PolarHBondContact O-N 3.03Å; M589-Q591 PolarHBondContact O-N 2.97Å; M589-K592 PolarHBondContact O-N 2.83Å; M589-L593 HydrophobicContact CE-CD1 3.82Å; M589-L593 HydrophobicContact CG-CD1 4.05Å; M589-L593 PolarHBondContact O-N 3.09Å; M589-M855 HydrophobicContact CB-SD 4.06Å; M589-M855 HydrophobicContact CE-SD 4.16Å; M589-M855 HydrophobicContact CG-SD 3.86Å; M589-M855 HydrophobicContact SD-CE 3.52Å; M589-M855 VanDerWaalsContact SD-CE 3.52Å; M589-M855 HydrophobicContact SD-SD 3.36Å |
| 590 | V | 59.5 | Low | 59.4 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 56% | 0.558 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58 | -39.2 | 178.8 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | Q586 R587 R594 | Q586-V590 PolarHBondContact O-N 2.97Å; R587-V590 PolarHBondContact O-N 2.78Å; V590-R594 VanDerWaalsContact O-CB 3.26Å; V590-R594 WeakPolarHBondContact O-CB 3.33Å; V590-R594 PolarHBondContact O-N 3.44Å; V590-R594 VanDerWaalsContact O-N 3.08Å |
| 591 | Q | 61.8 | Low | 58.3 | Low | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 177.8 | -166.4 | 65.9 | 12.4 | 0 | 0 | 112.2 | R587 E588 M589 R594 T595 | R587-Q591 PolarHBondContact O-N 3.36Å; E588-Q591 PolarHBondContact O-N 3.19Å; M589-Q591 PolarHBondContact O-N 2.97Å; Q591-R594 PolarHBondContact O-N 2.96Å; Q591-T595 PolarHBondContact O-N 3.36Å; Q591-T595 VanDerWaalsContact O-N 3.09Å; Q591-T595 PolarHBondContact O-OG1 3.4Å |
| 592 | K | 60.6 | Low | 57.4 | Low | 126 Ų | 126 | 98.8 Ų | 98.8 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 179.6 | -77.3 | -178.4 | 178.9 | 175.6 | 0 | 113 | E588 M589 R594 T595 F596 M851 | E588-K592 PolarHBondContact O-N 3.19Å; E588-K592 VanDerWaalsContact O-N 3.08Å; M589-K592 PolarHBondContact O-N 2.83Å; K592-R594 VanDerWaalsContact C-N 3.34Å; K592-T595 WeakPolarHBondContact CA-OG1 3.47Å; K592-T595 PolarHBondContact O-N 3.32Å; K592-T595 PolarHBondContact O-OG1 3.38Å; K592-F596 WeakPolarHBondContact O-CB 3.06Å; K592-F596 PolarHBondContact O-N 3.22Å; K592-F596 VanDerWaalsContact O-N 3.08Å; K592-M851 HydrophobicContact CB-CE 4.34Å; K592-M851 HydrophobicContact CD-CE 3.83Å |
| 593 | L | 52.6 | Low | 56.8 | Low | 68 Ų | 68 | 101.2 Ų | 101.2 | 36% | 0.356 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.9 | -83.6 | 167.1 | 0 | 0 | 0 | 111.8 | M589 F596 L597 | M589-L593 HydrophobicContact CE-CD1 3.82Å; M589-L593 HydrophobicContact CG-CD1 4.05Å; M589-L593 PolarHBondContact O-N 3.09Å; L593-F596 PolarHBondContact O-N 3.02Å; L593-L597 WeakPolarHBondContact O-CG 3.31Å; L593-L597 PolarHBondContact O-N 3.31Å |
| 594 | R | 52.3 | Low | 55.8 | Low | 184 Ų | 184 | 99.9 Ų | 99.9 | 69% | 0.694 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 178.7 | -167.4 | 176.7 | -171.4 | 156.8 | 3.2 | 112.1 | V590 Q591 K592 A598 | V590-R594 VanDerWaalsContact O-CB 3.26Å; V590-R594 WeakPolarHBondContact O-CB 3.33Å; V590-R594 PolarHBondContact O-N 3.44Å; V590-R594 VanDerWaalsContact O-N 3.08Å; Q591-R594 PolarHBondContact O-N 2.96Å; K592-R594 VanDerWaalsContact C-N 3.34Å; R594-A598 VanDerWaalsContact O-CB 3.27Å; R594-A598 WeakPolarHBondContact O-CB 3.43Å; R594-A598 PolarHBondContact O-N 3.21Å |
| 595 | T | 61.3 | Low | 54.7 | Low | 75 Ų | 75 | 95.1 Ų | 95.1 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.8 | -35.7 | 176.3 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | Q591 K592 N599 | Q591-T595 PolarHBondContact O-N 3.36Å; Q591-T595 VanDerWaalsContact O-N 3.09Å; Q591-T595 PolarHBondContact O-OG1 3.4Å; K592-T595 WeakPolarHBondContact CA-OG1 3.47Å; K592-T595 PolarHBondContact O-N 3.32Å; K592-T595 PolarHBondContact O-OG1 3.38Å; T595-N599 PolarHBondContact O-N 3.37Å |
| 596 | F | 55.1 | Low | 53.8 | Low | 107 Ų | 107 | 98 Ų | 98 | 47% | 0.469 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -51.1 | 179.7 | -177.2 | -98.9 | 0 | 0 | 0 | 112 | K592 L593 A598 N599 E600 L844 | K592-F596 WeakPolarHBondContact O-CB 3.06Å; K592-F596 PolarHBondContact O-N 3.22Å; K592-F596 VanDerWaalsContact O-N 3.08Å; L593-F596 PolarHBondContact O-N 3.02Å; F596-A598 VanDerWaalsContact C-N 3.31Å; F596-A598 PolarHBondContact O-N 3.08Å; F596-N599 PolarHBondContact O-N 2.9Å; F596-E600 PolarHBondContact O-N 3.38Å; F596-L844 HydrophobicContact CZ-CD1 3.98Å |
| 597 | L | 49.7 | Very low | 53.2 | Low | 107 Ų | 107 | 99.3 Ų | 99.3 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -34.9 | -179.4 | -70.8 | 170.3 | 0 | 0 | 0 | 112.7 | L593 C601 | L593-L597 WeakPolarHBondContact O-CG 3.31Å; L593-L597 PolarHBondContact O-N 3.31Å; L597-C601 PolarHBondContact O-N 2.83Å; L597-C601 PolarHBondContact O-SG 3.08Å |
| 598 | A | 54.4 | Low | 52.3 | Low | 45 Ų | 45 | 95.3 Ų | 95.3 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R594 F596 I602 | R594-A598 VanDerWaalsContact O-CB 3.27Å; R594-A598 WeakPolarHBondContact O-CB 3.43Å; R594-A598 PolarHBondContact O-N 3.21Å; F596-A598 VanDerWaalsContact C-N 3.31Å; F596-A598 PolarHBondContact O-N 3.08Å; A598-I602 WeakPolarHBondContact O-CD1 3.36Å; A598-I602 WeakPolarHBondContact O-CG1 3.45Å; A598-I602 PolarHBondContact O-N 2.92Å; A598-I602 VanDerWaalsContact O-N 3.16Å |
| 599 | N | 51 | Low | 51.4 | Low | 108 Ų | 108 | 95.3 Ų | 95.3 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.8 | -38.4 | -179.4 | -83.9 | -0.8 | 0 | 0 | 0 | 113 | T595 F596 I602 T603 | T595-N599 PolarHBondContact O-N 3.37Å; F596-N599 PolarHBondContact O-N 2.9Å; N599-I602 PolarHBondContact O-N 3.43Å; N599-T603 PolarHBondContact O-N 3.5Å; N599-T603 VanDerWaalsContact O-N 3.11Å; N599-T603 PolarHBondContact O-OG1 3.32Å |
| 600 | E | 50.1 | Low | 51.2 | Low | 116 Ų | 116 | 101.1 Ų | 101.1 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 176.5 | -77.6 | -61.7 | 134.8 | 0 | 0 | 112 | F596 I602 T603 A604 | F596-E600 PolarHBondContact O-N 3.38Å; E600-I602 VanDerWaalsContact C-N 3.31Å; E600-I602 PolarHBondContact O-N 2.96Å; E600-T603 PolarHBondContact O-N 3.41Å; E600-A604 PolarHBondContact O-N 3.08Å |
| 601 | C | 45.3 | Very low | 50.3 | Low | 87 Ų | 87 | 102.5 Ų | 102.5 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -38.2 | 178 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | L597 T603 A605 | L597-C601 PolarHBondContact O-N 2.83Å; L597-C601 PolarHBondContact O-SG 3.08Å; C601-T603 VanDerWaalsContact C-N 3.35Å; C601-A605 VanDerWaalsContact O-CB 3.3Å; C601-A605 WeakPolarHBondContact O-CB 3.5Å; C601-A605 PolarHBondContact O-N 3.29Å |
| 602 | I | 50.2 | Low | 49.5 | Very low | 93 Ų | 93 | 99 Ų | 99 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 177.2 | -68.9 | 165.2 | 0 | 0 | 0 | 110.9 | A598 N599 E600 A605 N606 | A598-I602 WeakPolarHBondContact O-CD1 3.36Å; A598-I602 WeakPolarHBondContact O-CG1 3.45Å; A598-I602 PolarHBondContact O-N 2.92Å; A598-I602 VanDerWaalsContact O-N 3.16Å; N599-I602 PolarHBondContact O-N 3.43Å; E600-I602 VanDerWaalsContact C-N 3.31Å; E600-I602 PolarHBondContact O-N 2.96Å; I602-A605 PolarHBondContact O-N 3.06Å; I602-N606 VanDerWaalsContact O-CG 3.25Å; I602-N606 PolarHBondContact O-N 2.83Å; I602-N606 VanDerWaalsContact O-N 3.1Å; I602-N606 PolarHBondContact O-ND2 3.41Å |
| 603 | T | 51.4 | Low | 48.7 | Very low | 74 Ų | 74 | 100.8 Ų | 100.8 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.1 | -42.6 | -179.2 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | N599 E600 C601 N606 Q607 | N599-T603 PolarHBondContact O-N 3.5Å; N599-T603 VanDerWaalsContact O-N 3.11Å; N599-T603 PolarHBondContact O-OG1 3.32Å; E600-T603 PolarHBondContact O-N 3.41Å; C601-T603 VanDerWaalsContact C-N 3.35Å; T603-N606 PolarHBondContact O-N 3.02Å; T603-Q607 PolarHBondContact O-N 3.33Å |
| 604 | A | 43.9 | Very low | 48.3 | Very low | 50 Ų | 50 | 104.9 Ų | 104.9 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E600 N606 Q607 I608 | E600-A604 PolarHBondContact O-N 3.08Å; A604-N606 VanDerWaalsContact C-N 3.32Å; A604-N606 PolarHBondContact O-N 3.24Å; A604-Q607 PolarHBondContact O-N 3.19Å; A604-I608 WeakPolarHBondContact O-CG1 3.48Å; A604-I608 PolarHBondContact O-N 3.34Å |
| 605 | A | 45.2 | Very low | 47.7 | Very low | 49 Ų | 49 | 99.9 Ų | 99.9 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C601 I602 Q607 I608 N609 | C601-A605 VanDerWaalsContact O-CB 3.3Å; C601-A605 WeakPolarHBondContact O-CB 3.5Å; C601-A605 PolarHBondContact O-N 3.29Å; I602-A605 PolarHBondContact O-N 3.06Å; A605-Q607 PolarHBondContact O-N 2.98Å; A605-I608 PolarHBondContact O-N 3.36Å; A605-N609 PolarHBondContact O-N 2.84Å |
| 606 | N | 48.1 | Very low | 46.7 | Very low | 102 Ų | 102 | 100.6 Ų | 100.6 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.4 | -33 | 179.1 | -74.4 | -25.3 | 0 | 0 | 0 | 113.1 | I602 T603 A604 K610 | I602-N606 VanDerWaalsContact O-CG 3.25Å; I602-N606 PolarHBondContact O-N 2.83Å; I602-N606 VanDerWaalsContact O-N 3.1Å; I602-N606 PolarHBondContact O-ND2 3.41Å; T603-N606 PolarHBondContact O-N 3.02Å; A604-N606 VanDerWaalsContact C-N 3.32Å; A604-N606 PolarHBondContact O-N 3.24Å; N606-K610 PolarHBondContact O-N 2.75Å |
| 607 | Q | 44.7 | Very low | 45.9 | Very low | 133 Ų | 133 | 101.3 Ų | 101.3 | 62% | 0.621 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72 | -38.3 | 175 | -68.4 | -175.3 | -0.5 | 0 | 0 | 111.7 | T603 A604 A605 K610 F611 | T603-Q607 PolarHBondContact O-N 3.33Å; A604-Q607 PolarHBondContact O-N 3.19Å; A605-Q607 PolarHBondContact O-N 2.98Å; Q607-K610 PolarHBondContact O-N 3Å; Q607-F611 PolarHBondContact O-N 3.09Å |
| 608 | I | 43.2 | Very low | 45.5 | Very low | 114 Ų | 114 | 104.5 Ų | 104.5 | 59% | 0.585 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.3 | -41.8 | 178.2 | -67.2 | 167.7 | 0 | 0 | 0 | 111.2 | A604 A605 K610 F611 A612 | A604-I608 WeakPolarHBondContact O-CG1 3.48Å; A604-I608 PolarHBondContact O-N 3.34Å; A605-I608 PolarHBondContact O-N 3.36Å; I608-K610 VanDerWaalsContact C-N 3.33Å; I608-K610 PolarHBondContact O-N 3.1Å; I608-F611 PolarHBondContact O-N 3.08Å; I608-A612 PolarHBondContact O-N 3.08Å |
| 609 | N | 46.4 | Very low | 45.3 | Very low | 109 Ų | 109 | 106.4 Ų | 106.4 | 58% | 0.583 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -36.5 | 179.6 | -101.6 | -7.8 | 0 | 0 | 0 | 113.1 | A605 F611 A612 E613 | A605-N609 PolarHBondContact O-N 2.84Å; N609-F611 VanDerWaalsContact C-N 3.28Å; N609-F611 PolarHBondContact O-N 2.93Å; N609-A612 PolarHBondContact O-N 3.26Å; N609-E613 PolarHBondContact O-N 3.39Å |
| 610 | K | 48.8 | Very low | 44.9 | Very low | 167 Ų | 167 | 108.6 Ų | 108.6 | 73% | 0.726 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.4 | -30.2 | 178.1 | -133.7 | 177 | -174.6 | 178.9 | 0 | 112.6 | N606 Q607 I608 | N606-K610 PolarHBondContact O-N 2.75Å; Q607-K610 PolarHBondContact O-N 3Å; I608-K610 VanDerWaalsContact C-N 3.33Å; I608-K610 PolarHBondContact O-N 3.1Å |
| 611 | F | 41.6 | Very low | 44.7 | Very low | 122 Ų | 122 | 108.3 Ų | 108.3 | 54% | 0.535 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -78.8 | -35.6 | 175.2 | -177.5 | -105.1 | 0 | 0 | 0 | 112.3 | Q607 I608 N609 E613 E614 Q615 | Q607-F611 PolarHBondContact O-N 3.09Å; I608-F611 PolarHBondContact O-N 3.08Å; N609-F611 VanDerWaalsContact C-N 3.28Å; N609-F611 PolarHBondContact O-N 2.93Å; F611-E613 VanDerWaalsContact C-N 3.33Å; F611-E613 PolarHBondContact O-N 2.87Å; F611-E614 PolarHBondContact O-N 2.85Å; F611-Q615 HydrophobicContact CD1-CG 4.38Å; F611-Q615 HydrophobicContact CE1-CG 3.95Å; F611-Q615 HydrophobicContact CE2-CG 4.44Å; F611-Q615 HydrophobicContact CZ-CG 3.99Å |
| 612 | A | 44.6 | Very low | 44.8 | Very low | 43 Ų | 43 | 105.1 Ų | 105.1 | 36% | 0.355 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -34 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I608 N609 E614 Q615 T616 | I608-A612 PolarHBondContact O-N 3.08Å; N609-A612 PolarHBondContact O-N 3.26Å; A612-E614 VanDerWaalsContact C-N 3.33Å; A612-E614 PolarHBondContact O-N 3.42Å; A612-Q615 PolarHBondContact O-N 3.21Å; A612-T616 PolarHBondContact O-OG1 2.88Å |
| 613 | E | 42.4 | Very low | 44.5 | Very low | 164 Ų | 164 | 108 Ų | 108 | 77% | 0.766 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.5 | -32.7 | 178.6 | -77.3 | -176.6 | 156.9 | 0 | 0 | 113.1 | N609 F611 | N609-E613 PolarHBondContact O-N 3.39Å; F611-E613 VanDerWaalsContact C-N 3.33Å; F611-E613 PolarHBondContact O-N 2.87Å |
| 614 | E | 44.7 | Very low | 44.3 | Very low | 154 Ų | 154 | 109.7 Ų | 109.7 | 72% | 0.72 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -79.9 | -25.6 | 178.9 | -74.8 | -173.7 | 162.1 | 0 | 0 | 113.7 | F611 A612 | F611-E614 PolarHBondContact O-N 2.85Å; A612-E614 VanDerWaalsContact C-N 3.33Å; A612-E614 PolarHBondContact O-N 3.42Å |
| 615 | Q | 39.5 | Very low | 44.6 | Very low | 78 Ų | 78 | 112.2 Ų | 112.2 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -87.8 | -14.5 | -174 | -61.5 | -55.1 | -42.5 | 0 | 0 | 114.3 | F611 A612 T617 K618 V619 | F611-Q615 HydrophobicContact CD1-CG 4.38Å; F611-Q615 HydrophobicContact CE1-CG 3.95Å; F611-Q615 HydrophobicContact CE2-CG 4.44Å; F611-Q615 HydrophobicContact CZ-CG 3.99Å; A612-Q615 PolarHBondContact O-N 3.21Å; Q615-T617 PolarHBondContact O-N 3.29Å; Q615-K618 PolarHBondContact O-N 2.73Å; Q615-V619 HydrophobicContact CB-CG2 4.29Å; Q615-V619 VanDerWaalsContact O-CG2 3.31Å; Q615-V619 WeakPolarHBondContact O-CG2 3.41Å; Q615-V619 PolarHBondContact O-N 3.46Å |
| 616 | T | 40.4 | Very low | 44.7 | Very low | 91 Ų | 91 | 112 Ų | 112 | 56% | 0.558 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -22.7 | -169.4 | -64.3 | 0 | 0 | 0 | 0 | 113.8 | A612 | A612-T616 PolarHBondContact O-OG1 2.88Š|
| 617 | T | 38.7 | Very low | 44.7 | Very low | 121 Ų | 121 | 111.4 Ų | 111.4 | 74% | 0.742 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -20.5 | -178.7 | 56 | 0 | 0 | 0 | 0 | 114.9 | Q615 | Q615-T617 PolarHBondContact O-N 3.29Š|
| 618 | K | 42 | Very low | 44.9 | Very low | 175 Ų | 175 | 108.4 Ų | 108.4 | 76% | 0.761 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -18.9 | 179.5 | -68.8 | -174.1 | 179.4 | 178.7 | 0 | 114.2 | Q615 K620 | Q615-K618 PolarHBondContact O-N 2.73Å; K618-K620 VanDerWaalsContact C-N 3.3Å; K618-K620 PolarHBondContact O-N 3.5Å |
| 619 | V | 49.6 | Very low | 45.4 | Very low | 84 Ų | 84 | 106.5 Ų | 106.5 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.5 | -23.6 | 179.2 | 170 | 0 | 0 | 0 | 0 | 113.6 | Q615 T621 G622 R623 | Q615-V619 HydrophobicContact CB-CG2 4.29Å; Q615-V619 VanDerWaalsContact O-CG2 3.31Å; Q615-V619 WeakPolarHBondContact O-CG2 3.41Å; Q615-V619 PolarHBondContact O-N 3.46Å; V619-T621 PolarHBondContact O-N 3.36Å; V619-T621 VanDerWaalsContact O-N 3.16Å; V619-G622 PolarHBondContact O-N 2.9Å; V619-R623 PolarHBondContact O-N 3.19Å |
| 620 | K | 43.2 | Very low | 45.6 | Very low | 154 Ų | 154 | 103.8 Ų | 103.8 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57.2 | -33.6 | -179.7 | -78 | -174.7 | 177.1 | 178.3 | 0 | 113.3 | K618 | K618-K620 VanDerWaalsContact C-N 3.3Å; K618-K620 PolarHBondContact O-N 3.5Å |
| 621 | T | 45.5 | Very low | 45.7 | Very low | 110 Ų | 110 | 102.3 Ų | 102.3 | 68% | 0.675 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -80.9 | -30.3 | -177.2 | -30.9 | 0 | 0 | 0 | 0 | 112.8 | V619 T625 | V619-T621 PolarHBondContact O-N 3.36Å; V619-T621 VanDerWaalsContact O-N 3.16Å; T621-T625 PolarHBondContact O-OG1 3.29Å |
| 622 | G | 47.8 | Very low | 46.2 | Very low | 20 Ų | 20 | 102.3 Ų | 102.3 | 21% | 0.206 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -79.1 | -27.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V619 D624 I626 | V619-G622 PolarHBondContact O-N 2.9Å; G622-D624 VanDerWaalsContact C-N 3.3Å; G622-D624 PolarHBondContact O-N 2.98Å; G622-I626 PolarHBondContact O-N 2.89Å; G622-I626 VanDerWaalsContact O-N 3.12Å |
| 623 | R | 43.4 | Very low | 46.5 | Very low | 154 Ų | 154 | 103.4 Ų | 103.4 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | I | π-helix | trans | -55.1 | -46 | 175 | 178.3 | -171.9 | 171.5 | 176.5 | -2.1 | 111.7 | V619 I627 | V619-R623 PolarHBondContact O-N 3.19Å; R623-I627 HydrophobicContact CB-CD1 4.41Å; R623-I627 HydrophobicContact CG-CD1 4.42Å; R623-I627 WeakPolarHBondContact O-CB 3.34Å; R623-I627 PolarHBondContact O-N 3.5Å |
| 624 | D | 45.9 | Very low | 46.9 | Very low | 110 Ų | 110 | 99 Ų | 99 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | I | π-helix | trans | -77.9 | -25.2 | -169.2 | -65.5 | -16.1 | 0 | 0 | 0 | 112.8 | G622 | G622-D624 VanDerWaalsContact C-N 3.3Å; G622-D624 PolarHBondContact O-N 2.98Å |
| 625 | T | 50.7 | Low | 47.3 | Very low | 103 Ų | 103 | 97.4 Ų | 97.4 | 63% | 0.632 | 51% | 0.508 | S | S | * | . | I | π-helix | trans | -95.5 | -31.1 | -179.3 | 35.4 | 0 | 0 | 0 | 0 | 114.6 | T621 | T621-T625 PolarHBondContact O-OG1 3.29Å |
| 626 | I | 48.2 | Very low | 48.2 | Very low | 43 Ų | 43 | 101.4 Ų | 101.4 | 22% | 0.221 | 52% | 0.524 | C | S | . | . | I | π-helix | trans | -108 | -41.1 | -172.8 | -56.5 | 174.6 | 0 | 0 | 0 | 111.8 | G622 | G622-I626 PolarHBondContact O-N 2.89Å; G622-I626 VanDerWaalsContact O-N 3.12Å |
| 627 | I | 46.9 | Very low | 48.6 | Very low | 91 Ų | 91 | 98.7 Ų | 98.7 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | I | π-helix | trans | -81.2 | -39.7 | -169.3 | -58.1 | -175.8 | 0 | 0 | 0 | 111.5 | R623 Q630 F631 | R623-I627 HydrophobicContact CB-CD1 4.41Å; R623-I627 HydrophobicContact CG-CD1 4.42Å; R623-I627 WeakPolarHBondContact O-CB 3.34Å; R623-I627 PolarHBondContact O-N 3.5Å; I627-Q630 PolarHBondContact O-N 3.43Å; I627-F631 WeakPolarHBondContact O-CB 3.5Å; I627-F631 PolarHBondContact O-N 2.94Å |
| 628 | V | 49 | Very low | 49.5 | Very low | 69 Ų | 69 | 97.5 Ų | 97.5 | 42% | 0.418 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | -174.6 | 177.1 | 0 | 0 | 0 | 0 | 113.2 | Q630 F631 E632 | V628-Q630 PolarHBondContact O-N 3.17Å; V628-F631 PolarHBondContact O-N 2.9Å; V628-E632 PolarHBondContact O-N 2.84Å |
| 629 | P | 53.3 | Low | 50.4 | Low | 74 Ų | 74 | 93.3 Ų | 93.3 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -34.4 | 179.9 | -20.1 | 33 | 0 | 0 | 0 | 113.9 | E632 C633 | P629-E632 PolarHBondContact O-N 3.49Å; P629-C633 PolarHBondContact O-N 3.2Å |
| 630 | Q | 52.4 | Low | 50.8 | Low | 52 Ų | 52 | 92.6 Ų | 92.6 | 24% | 0.243 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -72.8 | -32.8 | 178 | -65.6 | -68 | -2.6 | 0 | 0 | 111.5 | I627 V628 E632 C633 L634 C805 V809 | I627-Q630 PolarHBondContact O-N 3.43Å; V628-Q630 PolarHBondContact O-N 3.17Å; Q630-E632 VanDerWaalsContact C-N 3.32Å; Q630-E632 PolarHBondContact O-N 2.96Å; Q630-C633 WeakPolarHBondContact O-CB 3.39Å; Q630-C633 PolarHBondContact O-N 3.49Å; Q630-L634 PolarHBondContact O-N 3.38Å; Q630-L634 VanDerWaalsContact O-N 3.1Å; Q630-C805 PolarHBondContact OE1-SG 3.09Å; Q630-V809 HydrophobicContact CG-CG2 3.93Å |
| 631 | F | 49.4 | Very low | 51.2 | Low | 136 Ų | 136 | 89.1 Ų | 89.1 | 60% | 0.596 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 175.1 | -154.8 | -89.5 | 0 | 0 | 0 | 112 | I627 V628 C633 L634 Q635 | I627-F631 WeakPolarHBondContact O-CB 3.5Å; I627-F631 PolarHBondContact O-N 2.94Å; V628-F631 PolarHBondContact O-N 2.9Å; F631-C633 VanDerWaalsContact C-N 3.32Å; F631-C633 PolarHBondContact O-N 3.01Å; F631-L634 PolarHBondContact O-N 3.35Å; F631-Q635 WeakPolarHBondContact O-CB 3.3Å; F631-Q635 PolarHBondContact O-N 3.28Å |
| 632 | E | 53.2 | Low | 51.8 | Low | 122 Ų | 122 | 86.9 Ų | 86.9 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.5 | -32.9 | 175 | -72.2 | -173.2 | 161.4 | 0 | 0 | 113 | V628 P629 Q630 K636 | V628-E632 PolarHBondContact O-N 2.84Å; P629-E632 PolarHBondContact O-N 3.49Å; Q630-E632 VanDerWaalsContact C-N 3.32Å; Q630-E632 PolarHBondContact O-N 2.96Å; E632-K636 PolarHBondContact O-N 2.94Å |
| 633 | C | 50.4 | Low | 52.6 | Low | 66 Ų | 66 | 90 Ų | 90 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.9 | -47.5 | 174.7 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | P629 Q630 F631 Q635 K636 L637 | P629-C633 PolarHBondContact O-N 3.2Å; Q630-C633 WeakPolarHBondContact O-CB 3.39Å; Q630-C633 PolarHBondContact O-N 3.49Å; F631-C633 VanDerWaalsContact C-N 3.32Å; F631-C633 PolarHBondContact O-N 3.01Å; C633-Q635 VanDerWaalsContact C-N 3.3Å; C633-Q635 PolarHBondContact O-N 3.45Å; C633-K636 PolarHBondContact O-N 3.4Å; C633-L637 PolarHBondContact O-N 3.37Å |
| 634 | L | 49.8 | Very low | 53.2 | Low | 73 Ų | 73 | 84.1 Ų | 84.1 | 38% | 0.382 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -36.5 | 175.7 | -76.2 | 168.6 | 0 | 0 | 0 | 112.3 | Q630 F631 K636 L637 V638 V802 | Q630-L634 PolarHBondContact O-N 3.38Å; Q630-L634 VanDerWaalsContact O-N 3.1Å; F631-L634 PolarHBondContact O-N 3.35Å; L634-K636 PolarHBondContact O-N 3.02Å; L634-L637 WeakPolarHBondContact O-CB 3.34Å; L634-L637 PolarHBondContact O-N 3.48Å; L634-L637 VanDerWaalsContact O-N 3.13Å; L634-V638 WeakPolarHBondContact O-CG2 3.36Å; L634-V638 PolarHBondContact O-N 3.02Å; L634-V802 HydrophobicContact CD2-CG2 4.41Å |
| 635 | Q | 54.6 | Low | 53.7 | Low | 119 Ų | 119 | 81.5 Ų | 81.5 | 56% | 0.556 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 179.2 | -167.1 | 172.2 | 5 | 0 | 0 | 112.3 | F631 C633 L637 V638 T639 | F631-Q635 WeakPolarHBondContact O-CB 3.3Å; F631-Q635 PolarHBondContact O-N 3.28Å; C633-Q635 VanDerWaalsContact C-N 3.3Å; C633-Q635 PolarHBondContact O-N 3.45Å; Q635-L637 VanDerWaalsContact C-N 3.29Å; Q635-L637 PolarHBondContact O-N 3.01Å; Q635-V638 PolarHBondContact O-N 3.44Å; Q635-T639 PolarHBondContact O-N 3.48Å; Q635-T639 PolarHBondContact O-OG1 2.95Å; Q635-T639 VanDerWaalsContact O-OG1 3.07Å |
| 636 | K | 57 | Low | 54.4 | Low | 163 Ų | 163 | 81.4 Ų | 81.4 | 71% | 0.709 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.4 | -34.2 | 174 | -72.5 | 177.9 | -178.9 | 172.4 | 0 | 112.4 | E632 C633 L634 T639 S640 | E632-K636 PolarHBondContact O-N 2.94Å; C633-K636 PolarHBondContact O-N 3.4Å; L634-K636 PolarHBondContact O-N 3.02Å; K636-T639 VanDerWaalsContact C-OG1 3.23Å; K636-T639 WeakPolarHBondContact CA-OG1 3.45Å; K636-T639 PolarHBondContact O-OG1 3.34Å; K636-S640 PolarHBondContact O-N 2.79Å |
| 637 | L | 50.6 | Low | 54.9 | Low | 34 Ų | 34 | 85 Ų | 85 | 18% | 0.178 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -73.2 | -40.8 | 178.9 | -113.9 | 160.2 | 0 | 0 | 0 | 112.5 | C633 L634 Q635 T639 S640 L641 L798 E801 | C633-L637 PolarHBondContact O-N 3.37Å; L634-L637 WeakPolarHBondContact O-CB 3.34Å; L634-L637 PolarHBondContact O-N 3.48Å; L634-L637 VanDerWaalsContact O-N 3.13Å; Q635-L637 VanDerWaalsContact C-N 3.29Å; Q635-L637 PolarHBondContact O-N 3.01Å; L637-T639 VanDerWaalsContact C-N 3.3Å; L637-T639 PolarHBondContact O-N 2.92Å; L637-S640 WeakPolarHBondContact O-CB 3.29Å; L637-S640 PolarHBondContact O-N 3.31Å; L637-S640 VanDerWaalsContact O-N 3.11Å; L637-L641 PolarHBondContact O-N 3Å; L637-L798 HydrophobicContact CB-CD1 4.48Å; L637-L798 HydrophobicContact CD1-CD1 3.92Å; L637-L798 HydrophobicContact CD2-CD1 3.38Å; L637-L798 HydrophobicContact CG-CD1 4.11Å; L637-E801 WeakPolarHBondContact CD1-OE2 3.42Å |
| 638 | V | 56 | Low | 55.2 | Low | 95 Ų | 95 | 83.9 Ų | 83.9 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.4 | -40.8 | 173.3 | 171 | 0 | 0 | 0 | 0 | 111 | L634 Q635 S640 L641 S642 | L634-V638 WeakPolarHBondContact O-CG2 3.36Å; L634-V638 PolarHBondContact O-N 3.02Å; Q635-V638 PolarHBondContact O-N 3.44Å; V638-S640 VanDerWaalsContact C-N 3.32Å; V638-S640 PolarHBondContact O-N 3.26Å; V638-L641 PolarHBondContact O-N 2.95Å; V638-S642 WeakPolarHBondContact O-CB 3.46Å; V638-S642 PolarHBondContact O-N 3.26Å |
| 639 | T | 61.4 | Low | 55.9 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 53% | 0.534 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 174.1 | 33.7 | 0 | 0 | 0 | 0 | 113 | Q635 K636 L637 S642 T643 | Q635-T639 PolarHBondContact O-N 3.48Å; Q635-T639 PolarHBondContact O-OG1 2.95Å; Q635-T639 VanDerWaalsContact O-OG1 3.07Å; K636-T639 VanDerWaalsContact C-OG1 3.23Å; K636-T639 WeakPolarHBondContact CA-OG1 3.45Å; K636-T639 PolarHBondContact O-OG1 3.34Å; L637-T639 VanDerWaalsContact C-N 3.3Å; L637-T639 PolarHBondContact O-N 2.92Å; T639-S642 PolarHBondContact O-N 3.21Å; T639-T643 PolarHBondContact O-N 3.14Å; T639-T643 VanDerWaalsContact O-N 3.15Å; T639-T643 PolarHBondContact O-OG1 3.39Å; T639-T643 VanDerWaalsContact O-OG1 3.06Å |
| 640 | S | 57.1 | Low | 56.4 | Low | 69 Ų | 69 | 89.3 Ų | 89.3 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | K636 L637 V638 T643 G644 | K636-S640 PolarHBondContact O-N 2.79Å; L637-S640 WeakPolarHBondContact O-CB 3.29Å; L637-S640 PolarHBondContact O-N 3.31Å; L637-S640 VanDerWaalsContact O-N 3.11Å; V638-S640 VanDerWaalsContact C-N 3.32Å; V638-S640 PolarHBondContact O-N 3.26Å; S640-T643 WeakPolarHBondContact CA-OG1 3.43Å; S640-T643 PolarHBondContact O-N 3Å; S640-T643 PolarHBondContact O-OG1 3.2Å; S640-G644 PolarHBondContact O-N 3.04Å; S640-G644 VanDerWaalsContact O-N 3.12Å |
| 641 | L | 52.2 | Low | 56.6 | Low | 82 Ų | 82 | 89.4 Ų | 89.4 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 175.5 | -81.2 | 156.6 | 0 | 0 | 0 | 112.4 | L637 V638 T643 G644 A645 L798 | L637-L641 PolarHBondContact O-N 3Å; V638-L641 PolarHBondContact O-N 2.95Å; L641-T643 VanDerWaalsContact C-N 3.35Å; L641-T643 PolarHBondContact O-N 2.94Å; L641-G644 PolarHBondContact O-N 3.32Å; L641-A645 PolarHBondContact O-N 3.15Å; L641-L798 HydrophobicContact CD1-CD1 4.3Å; L641-L798 HydrophobicContact CD1-CD2 3.91Å |
| 642 | S | 59.1 | Low | 56.9 | Low | 62 Ų | 62 | 87 Ų | 87 | 43% | 0.434 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 174.6 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | V638 T639 G644 A645 D646 | V638-S642 WeakPolarHBondContact O-CB 3.46Å; V638-S642 PolarHBondContact O-N 3.26Å; T639-S642 PolarHBondContact O-N 3.21Å; S642-G644 VanDerWaalsContact C-N 3.31Å; S642-G644 PolarHBondContact O-N 3.41Å; S642-A645 PolarHBondContact O-N 3.26Å; S642-D646 VanDerWaalsContact O-CG 3.29Å; S642-D646 PolarHBondContact O-N 3.18Å |
| 643 | T | 63.7 | Low | 57.3 | Low | 85 Ų | 85 | 86.9 Ų | 86.9 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 176.3 | 34.9 | 0 | 0 | 0 | 0 | 112.9 | T639 S640 L641 D646 E647 | T639-T643 PolarHBondContact O-N 3.14Å; T639-T643 VanDerWaalsContact O-N 3.15Å; T639-T643 PolarHBondContact O-OG1 3.39Å; T639-T643 VanDerWaalsContact O-OG1 3.06Å; S640-T643 WeakPolarHBondContact CA-OG1 3.43Å; S640-T643 PolarHBondContact O-N 3Å; S640-T643 PolarHBondContact O-OG1 3.2Å; L641-T643 VanDerWaalsContact C-N 3.35Å; L641-T643 PolarHBondContact O-N 2.94Å; T643-D646 PolarHBondContact O-N 3.17Å; T643-E647 WeakPolarHBondContact O-CB 3.34Å; T643-E647 PolarHBondContact O-N 3.44Å |
| 644 | G | 56.9 | Low | 57.9 | Low | 31 Ų | 31 | 88.3 Ų | 88.3 | 32% | 0.32 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S640 L641 S642 E647 L648 | S640-G644 PolarHBondContact O-N 3.04Å; S640-G644 VanDerWaalsContact O-N 3.12Å; L641-G644 PolarHBondContact O-N 3.32Å; S642-G644 VanDerWaalsContact C-N 3.31Å; S642-G644 PolarHBondContact O-N 3.41Å; G644-E647 PolarHBondContact O-N 3.25Å; G644-L648 PolarHBondContact O-N 3.46Å |
| 645 | A | 56.2 | Low | 57.9 | Low | 55 Ų | 55 | 86.9 Ų | 86.9 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L641 S642 E647 L648 D649 | L641-A645 PolarHBondContact O-N 3.15Å; S642-A645 PolarHBondContact O-N 3.26Å; A645-E647 VanDerWaalsContact C-N 3.26Å; A645-E647 PolarHBondContact O-N 3.22Å; A645-L648 WeakPolarHBondContact O-CB 3.41Å; A645-L648 PolarHBondContact O-N 3.29Å; A645-D649 PolarHBondContact O-N 3.08Å |
| 646 | D | 64.8 | Low | 57.8 | Low | 101 Ų | 101 | 88.3 Ų | 88.3 | 54% | 0.54 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 175.3 | -65.3 | -28.2 | 0 | 0 | 0 | 111.4 | S642 T643 D649 R650 | S642-D646 VanDerWaalsContact O-CG 3.29Å; S642-D646 PolarHBondContact O-N 3.18Å; T643-D646 PolarHBondContact O-N 3.17Å; D646-D649 PolarHBondContact O-N 3.49Å; D646-R650 WeakPolarHBondContact O-CB 3.31Å; D646-R650 PolarHBondContact O-N 3.27Å |
| 647 | E | 59.5 | Low | 58.1 | Low | 118 Ų | 118 | 86.4 Ų | 86.4 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.5 | -37.1 | 176.4 | -134.4 | 162.3 | -155.6 | 0 | 0 | 112.7 | T643 G644 A645 R650 C651 | T643-E647 WeakPolarHBondContact O-CB 3.34Å; T643-E647 PolarHBondContact O-N 3.44Å; G644-E647 PolarHBondContact O-N 3.25Å; A645-E647 VanDerWaalsContact C-N 3.26Å; A645-E647 PolarHBondContact O-N 3.22Å; E647-R650 VanDerWaalsContact CG-NH2 3.33Å; E647-R650 IonicContact OE1-NH2 2.75Å; E647-R650 PolarHBondContact OE1-NH2 2.96Å; E647-R650 VanDerWaalsContact OE1-NH2 3.15Å; E647-C651 WeakPolarHBondContact O-CB 3.38Å; E647-C651 PolarHBondContact O-N 3.28Å; E647-C651 VanDerWaalsContact O-N 3.07Å |
| 648 | L | 53.5 | Low | 58.3 | Low | 68 Ų | 68 | 87.5 Ų | 87.5 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 172.9 | -172.8 | 70.3 | 0 | 0 | 0 | 111.3 | G644 A645 R650 C651 L652 V787 | G644-L648 PolarHBondContact O-N 3.46Å; A645-L648 WeakPolarHBondContact O-CB 3.41Å; A645-L648 PolarHBondContact O-N 3.29Å; L648-R650 PolarHBondContact O-N 3.38Å; L648-C651 WeakPolarHBondContact O-CB 3.49Å; L648-C651 PolarHBondContact O-N 3.24Å; L648-C651 VanDerWaalsContact O-N 3.1Å; L648-L652 HydrophobicContact CG-CD1 4.47Å; L648-L652 WeakPolarHBondContact O-CG 3.29Å; L648-L652 PolarHBondContact O-N 3.09Å; L648-V787 HydrophobicContact CD1-CG1 4Å |
| 649 | D | 62.5 | Low | 58.2 | Low | 112 Ų | 112 | 88.5 Ų | 88.5 | 60% | 0.599 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.5 | -43.4 | 180 | -156.9 | 44.8 | 0 | 0 | 0 | 111.1 | A645 D646 C651 L652 L653 | A645-D649 PolarHBondContact O-N 3.08Å; D646-D649 PolarHBondContact O-N 3.49Å; D649-C651 VanDerWaalsContact C-N 3.28Å; D649-C651 PolarHBondContact O-N 3.46Å; D649-L652 PolarHBondContact O-N 2.84Å; D649-L653 PolarHBondContact O-N 3.41Å |
| 650 | R | 64 | Low | 58.1 | Low | 146 Ų | 146 | 89.7 Ų | 89.7 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.2 | -35.8 | 172.4 | -172.3 | 174 | 63.5 | -169.5 | -0.6 | 112.6 | D646 E647 L648 N654 | D646-R650 WeakPolarHBondContact O-CB 3.31Å; D646-R650 PolarHBondContact O-N 3.27Å; E647-R650 VanDerWaalsContact CG-NH2 3.33Å; E647-R650 IonicContact OE1-NH2 2.75Å; E647-R650 PolarHBondContact OE1-NH2 2.96Å; E647-R650 VanDerWaalsContact OE1-NH2 3.15Å; L648-R650 PolarHBondContact O-N 3.38Å; R650-N654 PolarHBondContact O-N 2.87Å; R650-N654 PolarHBondContact O-ND2 3.33Å |
| 651 | C | 56.3 | Low | 58.5 | Low | 54 Ų | 54 | 91.4 Ų | 91.4 | 37% | 0.365 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.7 | -40.6 | 177.9 | -147.3 | 0 | 0 | 0 | 0 | 111.8 | E647 L648 D649 Q655 | E647-C651 WeakPolarHBondContact O-CB 3.38Å; E647-C651 PolarHBondContact O-N 3.28Å; E647-C651 VanDerWaalsContact O-N 3.07Å; L648-C651 WeakPolarHBondContact O-CB 3.49Å; L648-C651 PolarHBondContact O-N 3.24Å; L648-C651 VanDerWaalsContact O-N 3.1Å; D649-C651 VanDerWaalsContact C-N 3.28Å; D649-C651 PolarHBondContact O-N 3.46Å; C651-Q655 PolarHBondContact O-N 2.87Å; C651-Q655 VanDerWaalsContact O-N 3.16Å |
| 652 | L | 55.6 | Low | 58.3 | Low | 84 Ų | 84 | 89.4 Ų | 89.4 | 44% | 0.44 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.7 | -72.3 | 169.4 | 0 | 0 | 0 | 111.9 | L648 D649 Q655 F656 | L648-L652 HydrophobicContact CG-CD1 4.47Å; L648-L652 WeakPolarHBondContact O-CG 3.29Å; L648-L652 PolarHBondContact O-N 3.09Å; D649-L652 PolarHBondContact O-N 2.84Å; L652-Q655 WeakPolarHBondContact O-CB 3.12Å; L652-Q655 PolarHBondContact O-N 3.49Å; L652-F656 PolarHBondContact O-N 3.2Å |
| 653 | L | 62.8 | Low | 58.3 | Low | 121 Ų | 121 | 91.2 Ų | 91.2 | 63% | 0.634 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.4 | -46 | 179 | -160.8 | 75.8 | 0 | 0 | 0 | 111.8 | D649 Q655 F656 E657 | D649-L653 PolarHBondContact O-N 3.41Å; L653-Q655 VanDerWaalsContact C-N 3.27Å; L653-Q655 PolarHBondContact O-N 3.26Å; L653-F656 WeakPolarHBondContact O-CB 3.46Å; L653-F656 PolarHBondContact O-N 3.48Å; L653-F656 VanDerWaalsContact O-N 3.15Å; L653-E657 PolarHBondContact O-N 3.39Å |
| 654 | N | 61.6 | Low | 58.4 | Low | 95 Ų | 95 | 93.5 Ų | 93.5 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -31.9 | 175.9 | -71 | -17.9 | 0 | 0 | 0 | 112.4 | R650 A658 | R650-N654 PolarHBondContact O-N 2.87Å; R650-N654 PolarHBondContact O-ND2 3.33Å; N654-A658 PolarHBondContact O-N 3.29Å |
| 655 | Q | 49.7 | Very low | 58.8 | Low | 44 Ų | 44 | 98.7 Ų | 98.7 | 21% | 0.206 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 174 | -105 | -159.3 | -14.6 | 0 | 0 | 112.4 | C651 L652 L653 E657 A658 Y659 | C651-Q655 PolarHBondContact O-N 2.87Å; C651-Q655 VanDerWaalsContact O-N 3.16Å; L652-Q655 WeakPolarHBondContact O-CB 3.12Å; L652-Q655 PolarHBondContact O-N 3.49Å; L653-Q655 VanDerWaalsContact C-N 3.27Å; L653-Q655 PolarHBondContact O-N 3.26Å; Q655-E657 VanDerWaalsContact C-N 3.27Å; Q655-E657 PolarHBondContact O-N 3.04Å; Q655-A658 PolarHBondContact O-N 3.02Å; Q655-Y659 WeakPolarHBondContact O-CD2 3.39Å; Q655-Y659 PolarHBondContact O-N 3.48Å |
| 656 | F | 54.3 | Low | 58.6 | Low | 148 Ų | 148 | 101 Ų | 101 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -38.3 | 179.2 | -141.3 | -83.5 | 0 | 0 | 0 | 111.4 | L652 L653 Y659 Q660 | L652-F656 PolarHBondContact O-N 3.2Å; L653-F656 WeakPolarHBondContact O-CB 3.46Å; L653-F656 PolarHBondContact O-N 3.48Å; L653-F656 VanDerWaalsContact O-N 3.15Å; F656-Y659 PolarHBondContact O-N 3.43Å; F656-Q660 PolarHBondContact O-N 3.5Å |
| 657 | E | 62.7 | Low | 58.6 | Low | 124 Ų | 124 | 100 Ų | 100 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -44.8 | 172.6 | -76 | -171.9 | 155.4 | 0 | 0 | 112.3 | L653 Q655 Y659 Q660 I661 | L653-E657 PolarHBondContact O-N 3.39Å; Q655-E657 VanDerWaalsContact C-N 3.27Å; Q655-E657 PolarHBondContact O-N 3.04Å; E657-Y659 VanDerWaalsContact C-N 3.32Å; E657-Y659 PolarHBondContact O-N 3.32Å; E657-Q660 WeakPolarHBondContact O-CB 3.36Å; E657-Q660 PolarHBondContact O-N 3.4Å; E657-I661 WeakPolarHBondContact O-CG1 3.4Å; E657-I661 PolarHBondContact O-N 3.31Å; E657-I661 VanDerWaalsContact O-N 3.08Å |
| 658 | A | 54.2 | Low | 58.8 | Low | 56 Ų | 56 | 101.8 Ų | 101.8 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N654 Q655 I661 S662 | N654-A658 PolarHBondContact O-N 3.29Å; Q655-A658 PolarHBondContact O-N 3.02Å; A658-I661 PolarHBondContact O-N 3.49Å; A658-S662 PolarHBondContact O-N 3.32Å |
| 659 | Y | 53.7 | Low | 58.7 | Low | 117 Ų | 117 | 100.8 Ų | 100.8 | 46% | 0.459 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 174.7 | -89.1 | -64.6 | 0 | 0 | 0 | 112.9 | Q655 F656 E657 S662 N663 | Q655-Y659 WeakPolarHBondContact O-CD2 3.39Å; Q655-Y659 PolarHBondContact O-N 3.48Å; F656-Y659 PolarHBondContact O-N 3.43Å; E657-Y659 VanDerWaalsContact C-N 3.32Å; E657-Y659 PolarHBondContact O-N 3.32Å; Y659-S662 PolarHBondContact O-N 3.5Å; Y659-N663 WeakPolarHBondContact O-CB 3.44Å; Y659-N663 PolarHBondContact O-N 3.09Å; Y659-N663 PolarHBondContact O-ND2 3.3Å |
| 660 | Q | 60.3 | Low | 58.3 | Low | 112 Ų | 112 | 100 Ų | 100 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.7 | -87.1 | -170.6 | -12.6 | 0 | 0 | 111.8 | F656 E657 N663 Q664 | F656-Q660 PolarHBondContact O-N 3.5Å; E657-Q660 WeakPolarHBondContact O-CB 3.36Å; E657-Q660 PolarHBondContact O-N 3.4Å; Q660-N663 PolarHBondContact O-N 2.8Å; Q660-Q664 WeakPolarHBondContact O-CG 3.49Å; Q660-Q664 PolarHBondContact O-N 3.16Å |
| 661 | I | 65.5 | Low | 58.5 | Low | 105 Ų | 105 | 99 Ų | 99 | 54% | 0.538 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 178.3 | -63.5 | 169.6 | 0 | 0 | 0 | 110.3 | E657 A658 N663 Q664 E665 | E657-I661 WeakPolarHBondContact O-CG1 3.4Å; E657-I661 PolarHBondContact O-N 3.31Å; E657-I661 VanDerWaalsContact O-N 3.08Å; A658-I661 PolarHBondContact O-N 3.49Å; I661-N663 PolarHBondContact O-N 2.94Å; I661-Q664 WeakPolarHBondContact O-CB 3.44Å; I661-Q664 PolarHBondContact O-N 3.03Å; I661-E665 PolarHBondContact O-N 2.85Å; I661-E665 VanDerWaalsContact O-N 3.14Å |
| 662 | S | 47 | Very low | 58.6 | Low | 40 Ų | 40 | 100.9 Ų | 100.9 | 28% | 0.28 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 178 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | A658 Y659 Q664 E665 L666 | A658-S662 PolarHBondContact O-N 3.32Å; Y659-S662 PolarHBondContact O-N 3.5Å; S662-Q664 VanDerWaalsContact C-N 3.31Å; S662-Q664 PolarHBondContact O-N 3.31Å; S662-E665 PolarHBondContact O-N 2.99Å; S662-L666 PolarHBondContact O-N 3.43Å |
| 663 | N | 59 | Low | 58.5 | Low | 99 Ų | 99 | 102.4 Ų | 102.4 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -33.2 | 175.9 | -81.6 | -37.2 | 0 | 0 | 0 | 112.5 | Y659 Q660 I661 L666 D667 | Y659-N663 WeakPolarHBondContact O-CB 3.44Å; Y659-N663 PolarHBondContact O-N 3.09Å; Y659-N663 PolarHBondContact O-ND2 3.3Å; Q660-N663 PolarHBondContact O-N 2.8Å; I661-N663 PolarHBondContact O-N 2.94Å; N663-L666 PolarHBondContact O-N 2.92Å; N663-D667 WeakPolarHBondContact O-CB 3.39Å; N663-D667 PolarHBondContact O-N 3.43Å |
| 664 | Q | 67.3 | Low | 58.4 | Low | 134 Ų | 134 | 102.2 Ų | 102.2 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -40.3 | 174.4 | -73.3 | 173.9 | 6.5 | 0 | 0 | 111.9 | Q660 I661 S662 D667 Y668 | Q660-Q664 WeakPolarHBondContact O-CG 3.49Å; Q660-Q664 PolarHBondContact O-N 3.16Å; I661-Q664 WeakPolarHBondContact O-CB 3.44Å; I661-Q664 PolarHBondContact O-N 3.03Å; S662-Q664 VanDerWaalsContact C-N 3.31Å; S662-Q664 PolarHBondContact O-N 3.31Å; Q664-D667 PolarHBondContact O-N 3Å; Q664-Y668 PolarHBondContact O-N 3.42Å; Q664-Y668 VanDerWaalsContact O-N 3.08Å |
| 665 | E | 63.4 | Low | 58.4 | Low | 139 Ų | 139 | 102.4 Ų | 102.4 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.7 | -37.5 | 174.6 | -67.8 | -154.6 | 160.3 | 0 | 0 | 112.3 | I661 S662 Y668 A669 | I661-E665 PolarHBondContact O-N 2.85Å; I661-E665 VanDerWaalsContact O-N 3.14Å; S662-E665 PolarHBondContact O-N 2.99Å; E665-Y668 WeakPolarHBondContact O-CB 3.34Å; E665-Y668 PolarHBondContact O-N 2.99Å; E665-A669 PolarHBondContact O-N 3.27Å |
| 666 | L | 53.7 | Low | 58.4 | Low | 105 Ų | 105 | 105.6 Ų | 105.6 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 175 | -149 | 91.3 | 0 | 0 | 0 | 111.6 | S662 N663 Y668 A669 I670 | S662-L666 PolarHBondContact O-N 3.43Å; N663-L666 PolarHBondContact O-N 2.92Å; L666-Y668 VanDerWaalsContact C-N 3.3Å; L666-Y668 PolarHBondContact O-N 3.27Å; L666-A669 WeakPolarHBondContact O-CB 3.45Å; L666-A669 PolarHBondContact O-N 3.41Å; L666-A669 VanDerWaalsContact O-N 3.16Å; L666-I670 HydrophobicContact CD2-CD1 4.48Å; L666-I670 WeakPolarHBondContact O-CG1 3.45Å; L666-I670 PolarHBondContact O-N 3.04Å |
| 667 | D | 63.4 | Low | 58.2 | Low | 80 Ų | 80 | 101.1 Ų | 101.1 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -34.9 | 177.6 | -159.2 | 58.6 | 0 | 0 | 0 | 111.8 | N663 Q664 K671 | N663-D667 WeakPolarHBondContact O-CB 3.39Å; N663-D667 PolarHBondContact O-N 3.43Å; Q664-D667 PolarHBondContact O-N 3Å; D667-K671 WeakPolarHBondContact O-CG 3.3Å; D667-K671 PolarHBondContact O-N 3.02Å; D667-K671 VanDerWaalsContact O-N 3.1Å; D667-K671 IonicContact OD2-NZ 2.68Å; D667-K671 PolarHBondContact OD2-NZ 2.91Å |
| 668 | Y | 63.5 | Low | 58.3 | Low | 154 Ų | 154 | 98.1 Ų | 98.1 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 171.1 | -178.9 | -101.8 | 0 | 0 | 0 | 112.1 | Q664 E665 L666 K671 Q672 | Q664-Y668 PolarHBondContact O-N 3.42Å; Q664-Y668 VanDerWaalsContact O-N 3.08Å; E665-Y668 WeakPolarHBondContact O-CB 3.34Å; E665-Y668 PolarHBondContact O-N 2.99Å; L666-Y668 VanDerWaalsContact C-N 3.3Å; L666-Y668 PolarHBondContact O-N 3.27Å; Y668-K671 PolarHBondContact O-N 2.93Å; Y668-Q672 HydrophobicContact CD1-CG 4.39Å; Y668-Q672 HydrophobicContact CE1-CG 4.03Å; Y668-Q672 WeakPolarHBondContact O-CG 3.45Å; Y668-Q672 PolarHBondContact O-N 3.49Å; Y668-Q672 PolarHBondContact OH-NE2 3.26Å |
| 669 | A | 51.6 | Low | 58.5 | Low | 48 Ų | 48 | 101.5 Ų | 101.5 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E665 L666 Q672 L673 | E665-A669 PolarHBondContact O-N 3.27Å; L666-A669 WeakPolarHBondContact O-CB 3.45Å; L666-A669 PolarHBondContact O-N 3.41Å; L666-A669 VanDerWaalsContact O-N 3.16Å; A669-Q672 WeakPolarHBondContact O-CB 3.43Å; A669-Q672 PolarHBondContact O-N 2.87Å; A669-L673 PolarHBondContact O-N 2.88Å |
| 670 | I | 55.6 | Low | 58.2 | Low | 96 Ų | 96 | 98.1 Ų | 98.1 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.2 | -68.7 | 167.5 | 0 | 0 | 0 | 110.5 | L666 Q672 L673 D674 | L666-I670 HydrophobicContact CD2-CD1 4.48Å; L666-I670 WeakPolarHBondContact O-CG1 3.45Å; L666-I670 PolarHBondContact O-N 3.04Å; I670-Q672 VanDerWaalsContact C-N 3.31Å; I670-Q672 PolarHBondContact O-N 2.95Å; I670-L673 WeakPolarHBondContact O-CB 3.45Å; I670-L673 PolarHBondContact O-N 3.44Å; I670-D674 PolarHBondContact O-N 3.37Å |
| 671 | K | 66.3 | Low | 57.9 | Low | 124 Ų | 124 | 96.4 Ų | 96.4 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 175.5 | -76.7 | 170.3 | -177.9 | 141.4 | 0 | 113 | D667 Y668 D674 N675 | D667-K671 WeakPolarHBondContact O-CG 3.3Å; D667-K671 PolarHBondContact O-N 3.02Å; D667-K671 VanDerWaalsContact O-N 3.1Å; D667-K671 IonicContact OD2-NZ 2.68Å; D667-K671 PolarHBondContact OD2-NZ 2.91Å; Y668-K671 PolarHBondContact O-N 2.93Å; K671-D674 PolarHBondContact O-N 3.36Å; K671-N675 PolarHBondContact O-N 3.44Å; K671-N675 VanDerWaalsContact O-N 3.07Å |
| 672 | Q | 60.2 | Low | 57.9 | Low | 93 Ų | 93 | 92.9 Ų | 92.9 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 174.8 | -71.9 | -77.1 | -15.4 | 0 | 0 | 111.8 | Y668 A669 I670 N675 F676 | Y668-Q672 HydrophobicContact CD1-CG 4.39Å; Y668-Q672 HydrophobicContact CE1-CG 4.03Å; Y668-Q672 WeakPolarHBondContact O-CG 3.45Å; Y668-Q672 PolarHBondContact O-N 3.49Å; Y668-Q672 PolarHBondContact OH-NE2 3.26Å; A669-Q672 WeakPolarHBondContact O-CB 3.43Å; A669-Q672 PolarHBondContact O-N 2.87Å; I670-Q672 VanDerWaalsContact C-N 3.31Å; I670-Q672 PolarHBondContact O-N 2.95Å; Q672-N675 PolarHBondContact O-N 3.05Å; Q672-F676 PolarHBondContact O-N 3.47Å |
| 673 | L | 53.2 | Low | 58.5 | Low | 117 Ų | 117 | 97.6 Ų | 97.6 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 174.4 | -94.7 | 155.2 | 0 | 0 | 0 | 112.2 | A669 I670 F676 A677 | A669-L673 PolarHBondContact O-N 2.88Å; I670-L673 WeakPolarHBondContact O-CB 3.45Å; I670-L673 PolarHBondContact O-N 3.44Å; L673-F676 WeakPolarHBondContact O-CB 3.48Å; L673-F676 PolarHBondContact O-N 2.88Å; L673-A677 PolarHBondContact O-N 3.11Å |
| 674 | D | 59.5 | Low | 58.5 | Low | 117 Ų | 117 | 96.9 Ų | 96.9 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.4 | -41.1 | 178.3 | -156.2 | 37.3 | 0 | 0 | 0 | 111.5 | I670 K671 F676 A677 S678 | I670-D674 PolarHBondContact O-N 3.37Å; K671-D674 PolarHBondContact O-N 3.36Å; D674-F676 VanDerWaalsContact C-N 3.32Å; D674-F676 PolarHBondContact O-N 2.92Å; D674-A677 PolarHBondContact O-N 3.01Å; D674-S678 PolarHBondContact O-N 2.98Å |
| 675 | N | 63.2 | Low | 58.4 | Low | 98 Ų | 98 | 95.4 Ų | 95.4 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 170.7 | -90.5 | -9.4 | 0 | 0 | 0 | 112.3 | K671 Q672 S678 L679 | K671-N675 PolarHBondContact O-N 3.44Å; K671-N675 VanDerWaalsContact O-N 3.07Å; Q672-N675 PolarHBondContact O-N 3.05Å; N675-S678 PolarHBondContact O-N 2.93Å; N675-S678 PolarHBondContact O-OG 3.4Å; N675-L679 PolarHBondContact O-N 2.92Å |
| 676 | F | 48.8 | Very low | 58.6 | Low | 112 Ų | 112 | 93.7 Ų | 93.7 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 176.6 | -178.1 | -99.6 | 0 | 0 | 0 | 112.4 | Q672 L673 D674 S678 L679 S680 L759 | Q672-F676 PolarHBondContact O-N 3.47Å; L673-F676 WeakPolarHBondContact O-CB 3.48Å; L673-F676 PolarHBondContact O-N 2.88Å; D674-F676 VanDerWaalsContact C-N 3.32Å; D674-F676 PolarHBondContact O-N 2.92Å; F676-S678 VanDerWaalsContact C-N 3.33Å; F676-S678 PolarHBondContact O-N 3.41Å; F676-L679 PolarHBondContact O-N 3.06Å; F676-S680 WeakPolarHBondContact O-CB 3.39Å; F676-S680 PolarHBondContact O-N 3.43Å; F676-S680 PolarHBondContact O-OG 3.25Å; F676-L759 HydrophobicContact CZ-CD1 4.42Å |
| 677 | A | 51 | Low | 59.1 | Low | 53 Ų | 53 | 92.9 Ų | 92.9 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L673 D674 S680 S681 | L673-A677 PolarHBondContact O-N 3.11Å; D674-A677 PolarHBondContact O-N 3.01Å; A677-S680 PolarHBondContact O-N 2.83Å; A677-S681 PolarHBondContact O-N 2.88Å |
| 678 | S | 64.2 | Low | 58.9 | Low | 62 Ų | 62 | 94.9 Ų | 94.9 | 43% | 0.434 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.8 | 80.2 | 0 | 0 | 0 | 0 | 112.4 | D674 N675 F676 S680 S681 G682 | D674-S678 PolarHBondContact O-N 2.98Å; N675-S678 PolarHBondContact O-N 2.93Å; N675-S678 PolarHBondContact O-OG 3.4Å; F676-S678 VanDerWaalsContact C-N 3.33Å; F676-S678 PolarHBondContact O-N 3.41Å; S678-S680 VanDerWaalsContact C-N 3.34Å; S678-S680 PolarHBondContact O-N 2.89Å; S678-S681 PolarHBondContact O-N 3.18Å; S678-S681 PolarHBondContact O-OG 3.47Å; S678-G682 PolarHBondContact O-N 3.32Å |
| 679 | L | 57.7 | Low | 59.2 | Low | 127 Ų | 127 | 93.4 Ų | 93.4 | 67% | 0.665 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 175.5 | -85.1 | 157.9 | 0 | 0 | 0 | 111.7 | N675 F676 G682 F683 | N675-L679 PolarHBondContact O-N 2.92Å; F676-L679 PolarHBondContact O-N 3.06Å; L679-G682 PolarHBondContact O-N 3.02Å; L679-F683 PolarHBondContact O-N 3.35Å |
| 680 | S | 48.8 | Very low | 59.8 | Low | 46 Ų | 46 | 96.7 Ų | 96.7 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | F676 A677 S678 F683 V684 | F676-S680 WeakPolarHBondContact O-CB 3.39Å; F676-S680 PolarHBondContact O-N 3.43Å; F676-S680 PolarHBondContact O-OG 3.25Å; A677-S680 PolarHBondContact O-N 2.83Å; S678-S680 VanDerWaalsContact C-N 3.34Å; S678-S680 PolarHBondContact O-N 2.89Å; S680-F683 PolarHBondContact O-N 3.01Å; S680-V684 WeakPolarHBondContact O-CG2 3.38Å; S680-V684 PolarHBondContact O-N 3.34Å |
| 681 | S | 52.9 | Low | 60.1 | Low | 75 Ų | 75 | 96.9 Ų | 96.9 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 177.1 | 74 | 0 | 0 | 0 | 0 | 112.7 | A677 S678 V684 H685 | A677-S681 PolarHBondContact O-N 2.88Å; S678-S681 PolarHBondContact O-N 3.18Å; S678-S681 PolarHBondContact O-OG 3.47Å; S681-V684 PolarHBondContact O-N 3.45Å; S681-H685 WeakPolarHBondContact O-CB 3.44Å; S681-H685 PolarHBondContact O-N 3.4Å |
| 682 | G | 65.3 | Low | 60.2 | Low | 32 Ų | 32 | 96.6 Ų | 96.6 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S678 L679 V684 H685 D686 | S678-G682 PolarHBondContact O-N 3.32Å; L679-G682 PolarHBondContact O-N 3.02Å; G682-V684 PolarHBondContact O-N 3.06Å; G682-H685 WeakPolarHBondContact O-CB 3.35Å; G682-H685 PolarHBondContact O-N 3.43Å; G682-D686 PolarHBondContact O-N 3.5Å |
| 683 | F | 60.6 | Low | 60.8 | Low | 139 Ų | 139 | 94.8 Ų | 94.8 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 176.3 | -177.3 | -97.1 | 0 | 0 | 0 | 112.2 | L679 S680 H685 D686 E687 | L679-F683 PolarHBondContact O-N 3.35Å; S680-F683 PolarHBondContact O-N 3.01Å; F683-H685 VanDerWaalsContact C-N 3.3Å; F683-H685 PolarHBondContact O-N 3.15Å; F683-D686 PolarHBondContact O-N 3.11Å; F683-E687 HydrophobicContact CD1-CG 4.39Å; F683-E687 HydrophobicContact CE1-CG 3.84Å; F683-E687 HydrophobicContact CZ-CG 3.91Å; F683-E687 PolarHBondContact O-N 3.46Å |
| 684 | V | 58.6 | Low | 61.4 | Low | 83 Ų | 83 | 92.6 Ų | 92.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.4 | S680 S681 G682 M688 | S680-V684 WeakPolarHBondContact O-CG2 3.38Å; S680-V684 PolarHBondContact O-N 3.34Å; S681-V684 PolarHBondContact O-N 3.45Å; G682-V684 PolarHBondContact O-N 3.06Å; V684-M688 HydrophobicContact CG1-SD 4.45Å; V684-M688 WeakPolarHBondContact O-CB 3.39Å; V684-M688 WeakPolarHBondContact O-CG 3.46Å; V684-M688 PolarHBondContact O-N 3.31Å |
| 685 | H | 64.7 | Low | 61.5 | Low | 104 Ų | 104 | 93.6 Ų | 93.6 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 177.1 | -173.1 | 75.1 | 0 | 0 | 0 | 112.6 | S681 G682 F683 M688 K689 | S681-H685 WeakPolarHBondContact O-CB 3.44Å; S681-H685 PolarHBondContact O-N 3.4Å; G682-H685 WeakPolarHBondContact O-CB 3.35Å; G682-H685 PolarHBondContact O-N 3.43Å; F683-H685 VanDerWaalsContact C-N 3.3Å; F683-H685 PolarHBondContact O-N 3.15Å; H685-M688 PolarHBondContact O-N 3.42Å; H685-K689 WeakPolarHBondContact NE2-CE 3.29Å; H685-K689 PolarHBondContact NE2-NZ 3.4Å; H685-K689 PolarHBondContact O-N 3.49Å |
| 686 | D | 67.2 | Low | 62 | Low | 102 Ų | 102 | 94 Ų | 94 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70 | -38.2 | 177.3 | -77.4 | -17.3 | 0 | 0 | 0 | 111.9 | G682 F683 K689 H690 | G682-D686 PolarHBondContact O-N 3.5Å; F683-D686 PolarHBondContact O-N 3.11Å; D686-K689 WeakPolarHBondContact O-CB 3.42Å; D686-K689 PolarHBondContact O-N 3.25Å; D686-H690 PolarHBondContact O-N 3Å |
| 687 | E | 64.4 | Low | 63.1 | Low | 89 Ų | 89 | 94.1 Ų | 94.1 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 170.9 | -82.1 | -63.1 | 165.1 | 0 | 0 | 111.9 | F683 K689 H690 D691 | F683-E687 HydrophobicContact CD1-CG 4.39Å; F683-E687 HydrophobicContact CE1-CG 3.84Å; F683-E687 HydrophobicContact CZ-CG 3.91Å; F683-E687 PolarHBondContact O-N 3.46Å; E687-K689 VanDerWaalsContact C-N 3.27Å; E687-K689 PolarHBondContact O-N 3.02Å; E687-H690 WeakPolarHBondContact O-CA 3.33Å; E687-H690 WeakPolarHBondContact O-CB 3.47Å; E687-H690 PolarHBondContact O-N 2.72Å; E687-D691 PolarHBondContact O-N 3.36Å |
| 688 | M | 59.9 | Low | 63.6 | Low | 122 Ų | 122 | 97.3 Ų | 97.3 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.4 | -36.5 | 174.3 | -80.5 | -177.7 | 80.3 | 0 | 0 | 112.4 | V684 H685 M692 | V684-M688 HydrophobicContact CG1-SD 4.45Å; V684-M688 WeakPolarHBondContact O-CB 3.39Å; V684-M688 WeakPolarHBondContact O-CG 3.46Å; V684-M688 PolarHBondContact O-N 3.31Å; H685-M688 PolarHBondContact O-N 3.42Å; M688-M692 WeakPolarHBondContact O-CB 3.33Å; M688-M692 PolarHBondContact O-N 2.9Å |
| 689 | K | 70.3 | Confident | 63.8 | Low | 122 Ų | 122 | 96.7 Ų | 96.7 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 172.8 | -87.1 | 179.2 | 178.8 | 163.3 | 0 | 111.9 | H685 D686 E687 M692 A693 | H685-K689 WeakPolarHBondContact NE2-CE 3.29Å; H685-K689 PolarHBondContact NE2-NZ 3.4Å; H685-K689 PolarHBondContact O-N 3.49Å; D686-K689 WeakPolarHBondContact O-CB 3.42Å; D686-K689 PolarHBondContact O-N 3.25Å; E687-K689 VanDerWaalsContact C-N 3.27Å; E687-K689 PolarHBondContact O-N 3.02Å; K689-M692 PolarHBondContact O-N 2.95Å; K689-A693 PolarHBondContact O-N 2.93Å |
| 690 | H | 64.2 | Low | 64.7 | Low | 117 Ų | 117 | 93.3 Ų | 93.3 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 177.8 | -150.2 | 69.6 | 0 | 0 | 0 | 111.3 | D686 E687 M692 A693 I694 | D686-H690 PolarHBondContact O-N 3Å; E687-H690 WeakPolarHBondContact O-CA 3.33Å; E687-H690 WeakPolarHBondContact O-CB 3.47Å; E687-H690 PolarHBondContact O-N 2.72Å; H690-M692 VanDerWaalsContact C-N 3.33Å; H690-M692 PolarHBondContact O-N 2.71Å; H690-A693 WeakPolarHBondContact O-CB 3.39Å; H690-A693 PolarHBondContact O-N 3.15Å; H690-I694 WeakPolarHBondContact O-CG1 3.39Å; H690-I694 PolarHBondContact O-N 3.19Å |
| 691 | D | 60.4 | Low | 65.3 | Low | 101 Ų | 101 | 96.6 Ų | 96.6 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 174.3 | -96.1 | -7.2 | 0 | 0 | 0 | 112.3 | E687 A693 I694 Q695 | E687-D691 PolarHBondContact O-N 3.36Å; D691-A693 VanDerWaalsContact C-N 3.34Å; D691-A693 PolarHBondContact O-N 2.84Å; D691-I694 PolarHBondContact O-N 3.18Å; D691-Q695 PolarHBondContact O-N 2.93Å |
| 692 | M | 69.8 | Low | 65.9 | Low | 118 Ų | 118 | 102.5 Ų | 102.5 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.5 | -36.6 | 177.5 | -163.3 | 177.8 | -85.6 | 0 | 0 | 111.6 | M688 K689 H690 Q695 N696 | M688-M692 WeakPolarHBondContact O-CB 3.33Å; M688-M692 PolarHBondContact O-N 2.9Å; K689-M692 PolarHBondContact O-N 2.95Å; H690-M692 VanDerWaalsContact C-N 3.33Å; H690-M692 PolarHBondContact O-N 2.71Å; M692-Q695 PolarHBondContact O-N 3.17Å; M692-N696 VanDerWaalsContact O-CG 3.28Å; M692-N696 PolarHBondContact O-N 3.4Å; M692-N696 PolarHBondContact O-ND2 3.27Å |
| 693 | A | 71.9 | Confident | 66 | Low | 54 Ų | 54 | 104 Ų | 104 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K689 H690 D691 N696 Q697 | K689-A693 PolarHBondContact O-N 2.93Å; H690-A693 WeakPolarHBondContact O-CB 3.39Å; H690-A693 PolarHBondContact O-N 3.15Å; D691-A693 VanDerWaalsContact C-N 3.34Å; D691-A693 PolarHBondContact O-N 2.84Å; A693-N696 PolarHBondContact O-N 3.01Å; A693-Q697 PolarHBondContact O-N 3.33Å |
| 694 | I | 65.9 | Low | 66.4 | Low | 71 Ų | 71 | 102.7 Ų | 102.7 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.7 | -67.3 | 168.9 | 0 | 0 | 0 | 110.9 | H690 D691 N696 Q697 M698 | H690-I694 WeakPolarHBondContact O-CG1 3.39Å; H690-I694 PolarHBondContact O-N 3.19Å; D691-I694 PolarHBondContact O-N 3.18Å; I694-N696 VanDerWaalsContact C-N 3.35Å; I694-N696 PolarHBondContact O-N 3.45Å; I694-Q697 PolarHBondContact O-N 3.24Å; I694-M698 PolarHBondContact O-N 2.87Å |
| 695 | Q | 62 | Low | 66.1 | Low | 138 Ų | 138 | 106.3 Ų | 106.3 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | 176.3 | -83.5 | -167 | -13.6 | 0 | 0 | 112.2 | D691 M692 Q697 M698 A699 | D691-Q695 PolarHBondContact O-N 2.93Å; M692-Q695 PolarHBondContact O-N 3.17Å; Q695-Q697 VanDerWaalsContact C-N 3.31Å; Q695-Q697 PolarHBondContact O-N 3Å; Q695-M698 PolarHBondContact O-N 3.25Å; Q695-A699 WeakPolarHBondContact O-CB 3.29Å; Q695-A699 PolarHBondContact O-N 2.99Å |
| 696 | N | 72.6 | Confident | 66 | Low | 107 Ų | 107 | 103 Ų | 103 | 57% | 0.572 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -38.9 | 177.3 | -73.7 | -25.7 | 0 | 0 | 0 | 111.8 | M692 A693 I694 A699 S700 | M692-N696 VanDerWaalsContact O-CG 3.28Å; M692-N696 PolarHBondContact O-N 3.4Å; M692-N696 PolarHBondContact O-ND2 3.27Å; A693-N696 PolarHBondContact O-N 3.01Å; I694-N696 VanDerWaalsContact C-N 3.35Å; I694-N696 PolarHBondContact O-N 3.45Å; N696-A699 PolarHBondContact O-N 3.35Å; N696-S700 PolarHBondContact O-N 3.04Å |
| 697 | Q | 72.6 | Confident | 65.9 | Low | 114 Ų | 114 | 104.1 Ų | 104.1 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 176.5 | -141.1 | 175.7 | 13 | 0 | 0 | 111.7 | A693 I694 Q695 A699 S700 Y701 | A693-Q697 PolarHBondContact O-N 3.33Å; I694-Q697 PolarHBondContact O-N 3.24Å; Q695-Q697 VanDerWaalsContact C-N 3.31Å; Q695-Q697 PolarHBondContact O-N 3Å; Q697-A699 PolarHBondContact O-N 3.48Å; Q697-S700 WeakPolarHBondContact O-CB 3.31Å; Q697-S700 PolarHBondContact O-N 2.88Å; Q697-Y701 HydrophobicContact CG-CE2 3.96Å; Q697-Y701 WeakPolarHBondContact O-CD2 3.38Å; Q697-Y701 PolarHBondContact O-N 2.83Å |
| 698 | M | 61.1 | Low | 65.6 | Low | 120 Ų | 120 | 105.3 Ų | 105.3 | 59% | 0.591 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 173.3 | -82.3 | -166.9 | 159.8 | 0 | 0 | 112.6 | I694 Q695 S700 Y701 R702 | I694-M698 PolarHBondContact O-N 2.87Å; Q695-M698 PolarHBondContact O-N 3.25Å; M698-S700 VanDerWaalsContact C-N 3.35Å; M698-Y701 PolarHBondContact O-N 2.89Å; M698-R702 PolarHBondContact O-N 2.97Å |
| 699 | A | 70 | Confident | 65.4 | Low | 50 Ų | 50 | 105.2 Ų | 105.2 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q695 N696 Q697 R702 T703 | Q695-A699 WeakPolarHBondContact O-CB 3.29Å; Q695-A699 PolarHBondContact O-N 2.99Å; N696-A699 PolarHBondContact O-N 3.35Å; Q697-A699 PolarHBondContact O-N 3.48Å; A699-R702 PolarHBondContact O-N 3.17Å; A699-T703 PolarHBondContact O-N 3.46Å; A699-T703 PolarHBondContact O-OG1 2.97Å |
| 700 | S | 74.8 | Confident | 64.6 | Low | 56 Ų | 56 | 105.6 Ų | 105.6 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 172.7 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | N696 Q697 M698 T703 Q704 | N696-S700 PolarHBondContact O-N 3.04Å; Q697-S700 WeakPolarHBondContact O-CB 3.31Å; Q697-S700 PolarHBondContact O-N 2.88Å; M698-S700 VanDerWaalsContact C-N 3.35Å; S700-T703 WeakPolarHBondContact O-CB 3.45Å; S700-T703 PolarHBondContact O-N 3.41Å; S700-Q704 WeakPolarHBondContact O-CG 3.36Å; S700-Q704 PolarHBondContact O-N 2.87Å |
| 701 | Y | 63 | Low | 64.3 | Low | 115 Ų | 115 | 106.7 Ų | 106.7 | 45% | 0.451 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 177.9 | -71 | -51.5 | 0 | 0 | 0 | 112.6 | Q697 M698 T703 Q704 Y705 | Q697-Y701 HydrophobicContact CG-CE2 3.96Å; Q697-Y701 WeakPolarHBondContact O-CD2 3.38Å; Q697-Y701 PolarHBondContact O-N 2.83Å; M698-Y701 PolarHBondContact O-N 2.89Å; Y701-T703 PolarHBondContact O-N 3.36Å; Y701-Q704 PolarHBondContact O-N 3.27Å; Y701-Q704 VanDerWaalsContact O-N 3.1Å; Y701-Y705 WeakPolarHBondContact O-CD2 3.39Å; Y701-Y705 PolarHBondContact O-N 3.11Å |
| 702 | R | 64.1 | Low | 63.7 | Low | 199 Ų | 199 | 106.1 Ų | 106.1 | 75% | 0.751 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.1 | -39.5 | 173.9 | -85.6 | -178.4 | 174.2 | 156.2 | 0 | 112.3 | M698 A699 Y705 G706 | M698-R702 PolarHBondContact O-N 2.97Å; A699-R702 PolarHBondContact O-N 3.17Å; R702-Y705 PolarHBondContact O-N 3.45Å; R702-G706 PolarHBondContact O-N 3.28Å |
| 703 | T | 68.4 | Low | 62.8 | Low | 62 Ų | 62 | 108.7 Ų | 108.7 | 38% | 0.38 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 177.7 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | A699 S700 Y701 G706 K707 | A699-T703 PolarHBondContact O-N 3.46Å; A699-T703 PolarHBondContact O-OG1 2.97Å; S700-T703 WeakPolarHBondContact O-CB 3.45Å; S700-T703 PolarHBondContact O-N 3.41Å; Y701-T703 PolarHBondContact O-N 3.36Å; T703-G706 PolarHBondContact O-N 3.05Å; T703-K707 PolarHBondContact O-N 3.44Å; T703-K707 VanDerWaalsContact O-N 3.15Å |
| 704 | Q | 67.7 | Low | 61.7 | Low | 113 Ų | 113 | 111.3 Ų | 111.3 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.8 | -41.8 | 175.1 | -70 | 177.2 | 19.2 | 0 | 0 | 111.8 | S700 Y701 G706 K707 L708 | S700-Q704 WeakPolarHBondContact O-CG 3.36Å; S700-Q704 PolarHBondContact O-N 2.87Å; Y701-Q704 PolarHBondContact O-N 3.27Å; Y701-Q704 VanDerWaalsContact O-N 3.1Å; Q704-G706 PolarHBondContact O-N 3.11Å; Q704-K707 PolarHBondContact O-N 3.42Å; Q704-L708 PolarHBondContact O-N 2.88Å |
| 705 | Y | 52.3 | Low | 60.7 | Low | 159 Ų | 159 | 111.4 Ų | 111.4 | 62% | 0.624 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.8 | -41.7 | 174.3 | -78.6 | -66.7 | 0 | 0 | 0 | 112.2 | Y701 R702 K707 L708 L709 | Y701-Y705 WeakPolarHBondContact O-CD2 3.39Å; Y701-Y705 PolarHBondContact O-N 3.11Å; R702-Y705 PolarHBondContact O-N 3.45Å; Y705-K707 VanDerWaalsContact C-N 3.31Å; Y705-K707 PolarHBondContact O-N 3.01Å; Y705-L708 PolarHBondContact O-N 3.49Å; Y705-L709 WeakPolarHBondContact O-CB 3.37Å; Y705-L709 PolarHBondContact O-N 3.48Å |
| 706 | G | 63.2 | Low | 59.9 | Low | 34 Ų | 34 | 109.5 Ų | 109.5 | 35% | 0.351 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.8 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R702 T703 Q704 L709 N710 | R702-G706 PolarHBondContact O-N 3.28Å; T703-G706 PolarHBondContact O-N 3.05Å; Q704-G706 PolarHBondContact O-N 3.11Å; G706-L709 PolarHBondContact O-N 3.03Å; G706-N710 PolarHBondContact O-N 3.42Å |
| 707 | K | 65.5 | Low | 58.7 | Low | 126 Ų | 126 | 112 Ų | 112 | 55% | 0.548 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.9 | -42.8 | 174.4 | -71.9 | -176.8 | 179.4 | -174.2 | 0 | 112.1 | T703 Q704 Y705 L709 N710 E711 | T703-K707 PolarHBondContact O-N 3.44Å; T703-K707 VanDerWaalsContact O-N 3.15Å; Q704-K707 PolarHBondContact O-N 3.42Å; Y705-K707 VanDerWaalsContact C-N 3.31Å; Y705-K707 PolarHBondContact O-N 3.01Å; K707-L709 VanDerWaalsContact C-N 3.29Å; K707-L709 PolarHBondContact O-N 2.91Å; K707-N710 PolarHBondContact O-N 3.26Å; K707-E711 PolarHBondContact O-N 3.45Å |
| 708 | L | 57.8 | Low | 57.8 | Low | 113 Ų | 113 | 115 Ų | 115 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.5 | -33.7 | 178 | -151.5 | 77.3 | 0 | 0 | 0 | 111.8 | Q704 Y705 N710 E711 L712 | Q704-L708 PolarHBondContact O-N 2.88Å; Y705-L708 PolarHBondContact O-N 3.49Å; L708-N710 VanDerWaalsContact C-N 3.33Å; L708-E711 PolarHBondContact O-N 3.18Å; L708-L712 PolarHBondContact O-N 3.42Å |
| 709 | L | 55.2 | Low | 57.4 | Low | 121 Ų | 121 | 112 Ų | 112 | 63% | 0.634 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.3 | -38 | 175.2 | -128.3 | 103.1 | 0 | 0 | 0 | 111.8 | Y705 G706 K707 L712 | Y705-L709 WeakPolarHBondContact O-CB 3.37Å; Y705-L709 PolarHBondContact O-N 3.48Å; G706-L709 PolarHBondContact O-N 3.03Å; K707-L709 VanDerWaalsContact C-N 3.29Å; K707-L709 PolarHBondContact O-N 2.91Å; L709-L712 VanDerWaalsContact O-CB 3.3Å; L709-L712 WeakPolarHBondContact O-CB 3.4Å; L709-L712 PolarHBondContact O-N 2.88Å |
| 710 | N | 55.2 | Low | 56.4 | Low | 129 Ų | 129 | 117.9 Ų | 117.9 | 69% | 0.69 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76 | -25.5 | -180 | -70.1 | -12.3 | 0 | 0 | 0 | 113 | G706 K707 L708 L712 | G706-N710 PolarHBondContact O-N 3.42Å; K707-N710 PolarHBondContact O-N 3.26Å; L708-N710 VanDerWaalsContact C-N 3.33Å; N710-L712 VanDerWaalsContact C-N 3.32Å |
| 711 | E | 56.7 | Low | 55.3 | Low | 140 Ų | 140 | 122.2 Ų | 122.2 | 65% | 0.654 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -80.7 | -15.2 | 172.8 | -71.9 | -179.3 | 172.6 | 0 | 0 | 112.9 | K707 L708 E713 | K707-E711 PolarHBondContact O-N 3.45Å; L708-E711 PolarHBondContact O-N 3.18Å; E711-E713 VanDerWaalsContact C-N 3.29Å; E711-E713 PolarHBondContact O-N 3.41Å |
| 712 | L | 48.3 | Very low | 54.9 | Low | 90 Ų | 90 | 121.3 Ų | 121.3 | 47% | 0.471 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -71 | -22.1 | -176.7 | -161.7 | 67.1 | 0 | 0 | 0 | 113.4 | L708 L709 N710 S714 L719 | L708-L712 PolarHBondContact O-N 3.42Å; L709-L712 VanDerWaalsContact O-CB 3.3Å; L709-L712 WeakPolarHBondContact O-CB 3.4Å; L709-L712 PolarHBondContact O-N 2.88Å; N710-L712 VanDerWaalsContact C-N 3.32Å; L712-S714 VanDerWaalsContact C-N 3.26Å; L712-S714 PolarHBondContact O-N 3.41Å; L712-L719 HydrophobicContact CD1-CD1 3.44Å; L712-L719 VanDerWaalsContact CD1-CD1 3.44Å |
| 713 | E | 50.7 | Low | 54.3 | Low | 172 Ų | 172 | 116.8 Ų | 116.8 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -70.7 | -19.1 | -177.3 | -158.1 | 171.3 | -168.5 | 0 | 0 | 113.1 | E711 | E711-E713 VanDerWaalsContact C-N 3.29Å; E711-E713 PolarHBondContact O-N 3.41Å |
| 714 | S | 48.2 | Very low | 53.8 | Low | 108 Ų | 108 | 117.1 Ų | 117.1 | 76% | 0.755 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -102 | -9.4 | -174.8 | -176.8 | 0 | 0 | 0 | 0 | 115.7 | L712 | L712-S714 VanDerWaalsContact C-N 3.26Å; L712-S714 PolarHBondContact O-N 3.41Å |
| 715 | T | 45.1 | Very low | 53.5 | Low | 74 Ų | 74 | 115.2 Ų | 115.2 | 45% | 0.454 | 61% | 0.606 | S | S | . | * | trans | -132.9 | 27.4 | -165.8 | 56.3 | 0 | 0 | 0 | 0 | 115.7 | N717 K718 | T715-N717 PolarHBondContact O-N 3.43Å; T715-K718 PolarHBondContact O-N 3.21Å | ||
| 716 | T | 45.9 | Very low | 53.6 | Low | 97 Ų | 97 | 111.9 Ų | 111.9 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -25.4 | -174.5 | -39.8 | 0 | 0 | 0 | 0 | 115 | ||
| 717 | N | 47.8 | Very low | 53 | Low | 161 Ų | 161 | 115.1 Ų | 115.1 | 86% | 0.861 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -13.7 | -178.1 | -76 | -25.3 | 0 | 0 | 0 | 115.7 | T715 | T715-N717 PolarHBondContact O-N 3.43Š|
| 718 | K | 53.3 | Low | 52.9 | Low | 177 Ų | 177 | 114.2 Ų | 114.2 | 77% | 0.77 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -17.9 | 170.4 | -76 | -178.5 | 179.3 | 175.7 | 0 | 112.7 | T715 K720 | T715-K718 PolarHBondContact O-N 3.21Å; K718-K720 PolarHBondContact O-N 3.21Å |
| 719 | L | 52.9 | Low | 53.2 | Low | 56 Ų | 56 | 115 Ų | 115 | 29% | 0.293 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.3 | -31.8 | -175 | -111.2 | 143.2 | 0 | 0 | 0 | 114.3 | L712 N721 L722 M723 | L712-L719 HydrophobicContact CD1-CD1 3.44Å; L712-L719 VanDerWaalsContact CD1-CD1 3.44Å; L719-N721 VanDerWaalsContact C-N 3.3Å; L719-N721 PolarHBondContact O-N 3.39Å; L719-L722 PolarHBondContact O-N 2.94Å; L719-L722 VanDerWaalsContact O-N 3.12Å; L719-M723 HydrophobicContact CD2-CG 3.87Å; L719-M723 HydrophobicContact CD2-SD 4.14Å; L719-M723 VanDerWaalsContact O-CG 3.28Å; L719-M723 WeakPolarHBondContact O-CG 3.44Å; L719-M723 PolarHBondContact O-N 3.36Å |
| 720 | K | 47.5 | Very low | 53.2 | Low | 174 Ų | 174 | 113.2 Ų | 113.2 | 76% | 0.757 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.6 | -32.7 | -170.6 | -140.4 | 175.7 | -173.2 | 176.7 | 0 | 114.1 | K718 | K718-K720 PolarHBondContact O-N 3.21Å |
| 721 | N | 52.2 | Low | 53.5 | Low | 147 Ų | 147 | 111.1 Ų | 111.1 | 79% | 0.786 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -86.4 | -24.6 | 178 | -69.1 | -10.9 | 0 | 0 | 0 | 112.8 | L719 | L719-N721 VanDerWaalsContact C-N 3.3Å; L719-N721 PolarHBondContact O-N 3.39Å |
| 722 | L | 55.6 | Low | 54.1 | Low | 96 Ų | 96 | 106.6 Ų | 106.6 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -77.4 | -34 | 175.6 | -105.2 | 146.1 | 0 | 0 | 0 | 111.8 | L719 A724 S725 H726 | L719-L722 PolarHBondContact O-N 2.94Å; L719-L722 VanDerWaalsContact O-N 3.12Å; L722-A724 VanDerWaalsContact C-N 3.34Å; L722-A724 PolarHBondContact O-N 3.33Å; L722-S725 PolarHBondContact O-N 3.09Å; L722-S725 VanDerWaalsContact O-N 3.14Å; L722-H726 PolarHBondContact O-CD2 3.46Å; L722-H726 PolarHBondContact O-N 3.4Å |
| 723 | M | 51.8 | Low | 54.9 | Low | 103 Ų | 103 | 107.5 Ų | 107.5 | 51% | 0.507 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -57.9 | -42.6 | 179.5 | -75 | 175.9 | 72.7 | 0 | 0 | 113 | L719 S725 H726 D727 | L719-M723 HydrophobicContact CD2-CG 3.87Å; L719-M723 HydrophobicContact CD2-SD 4.14Å; L719-M723 VanDerWaalsContact O-CG 3.28Å; L719-M723 WeakPolarHBondContact O-CG 3.44Å; L719-M723 PolarHBondContact O-N 3.36Å; M723-S725 VanDerWaalsContact C-N 3.29Å; M723-S725 PolarHBondContact O-N 3.01Å; M723-H726 PolarHBondContact O-N 2.98Å; M723-H726 VanDerWaalsContact O-N 3.09Å; M723-D727 PolarHBondContact O-N 3.43Å |
| 724 | A | 56.3 | Low | 55.3 | Low | 70 Ų | 70 | 103.7 Ų | 103.7 | 58% | 0.579 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.5 | -31.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L722 | L722-A724 VanDerWaalsContact C-N 3.34Å; L722-A724 PolarHBondContact O-N 3.33Å |
| 725 | S | 61.7 | Low | 56.1 | Low | 73 Ų | 73 | 102.1 Ų | 102.1 | 51% | 0.51 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -75.3 | -30.2 | 173.6 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | L722 M723 T728 | L722-S725 PolarHBondContact O-N 3.09Å; L722-S725 VanDerWaalsContact O-N 3.14Å; M723-S725 VanDerWaalsContact C-N 3.29Å; M723-S725 PolarHBondContact O-N 3.01Å; S725-T728 PolarHBondContact O-OG1 2.7Å; S725-T728 VanDerWaalsContact O-OG1 3.13Å |
| 726 | H | 54.1 | Low | 57.2 | Low | 89 Ų | 89 | 101.1 Ų | 101.1 | 41% | 0.412 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -77.5 | -34.9 | -179.6 | -90.4 | -80.6 | 0 | 0 | 0 | 112.8 | L722 M723 T728 Q729 I730 | L722-H726 PolarHBondContact O-CD2 3.46Å; L722-H726 PolarHBondContact O-N 3.4Å; M723-H726 PolarHBondContact O-N 2.98Å; M723-H726 VanDerWaalsContact O-N 3.09Å; H726-T728 VanDerWaalsContact C-N 3.29Å; H726-T728 PolarHBondContact O-N 3.01Å; H726-Q729 PolarHBondContact O-N 3.42Å; H726-Q729 VanDerWaalsContact O-N 3.14Å; H726-I730 HydrophobicContact CB-CD1 4.32Å; H726-I730 WeakPolarHBondContact O-CB 3.35Å; H726-I730 WeakPolarHBondContact O-CD1 3.43Å; H726-I730 WeakPolarHBondContact O-CG1 3.38Å; H726-I730 PolarHBondContact O-N 3.44Å |
| 727 | D | 51.3 | Low | 57.8 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.7 | -35 | -178.6 | -81.4 | -22.3 | 0 | 0 | 0 | 113.5 | M723 S731 | M723-D727 PolarHBondContact O-N 3.43Å; D727-S731 PolarHBondContact O-N 3.01Å; D727-S731 PolarHBondContact O-OG 3.11Å |
| 728 | T | 63.2 | Low | 58.4 | Low | 107 Ų | 107 | 102.5 Ų | 102.5 | 66% | 0.656 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.8 | -37.1 | 176.2 | 39.3 | 0 | 0 | 0 | 0 | 112.3 | S725 H726 G732 | S725-T728 PolarHBondContact O-OG1 2.7Å; S725-T728 VanDerWaalsContact O-OG1 3.13Å; H726-T728 VanDerWaalsContact C-N 3.29Å; H726-T728 PolarHBondContact O-N 3.01Å; T728-G732 PolarHBondContact O-N 3.38Å |
| 729 | Q | 64 | Low | 59.2 | Low | 128 Ų | 128 | 97.7 Ų | 97.7 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.6 | -36.4 | 177.8 | -154.4 | 174.3 | 2.3 | 0 | 0 | 111.8 | H726 G732 E733 | H726-Q729 PolarHBondContact O-N 3.42Å; H726-Q729 VanDerWaalsContact O-N 3.14Å; Q729-G732 PolarHBondContact O-N 3.02Å; Q729-E733 PolarHBondContact O-N 3.47Å |
| 730 | I | 55.2 | Low | 59.7 | Low | 84 Ų | 84 | 102.2 Ų | 102.2 | 43% | 0.431 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 177.3 | -69.6 | 166.6 | 0 | 0 | 0 | 111.2 | H726 G732 E733 L734 | H726-I730 HydrophobicContact CB-CD1 4.32Å; H726-I730 WeakPolarHBondContact O-CB 3.35Å; H726-I730 WeakPolarHBondContact O-CD1 3.43Å; H726-I730 WeakPolarHBondContact O-CG1 3.38Å; H726-I730 PolarHBondContact O-N 3.44Å; I730-G732 VanDerWaalsContact C-N 3.34Å; I730-G732 PolarHBondContact O-N 2.97Å; I730-E733 PolarHBondContact O-N 3.26Å; I730-L734 HydrophobicContact CG2-CD1 3.58Å; I730-L734 WeakPolarHBondContact O-CD1 3.43Å; I730-L734 PolarHBondContact O-N 2.77Å |
| 731 | S | 61.9 | Low | 60.2 | Low | 85 Ų | 85 | 99.8 Ų | 99.8 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.7 | -37.8 | 179 | -75.6 | 0 | 0 | 0 | 0 | 113.1 | D727 S735 | D727-S731 PolarHBondContact O-N 3.01Å; D727-S731 PolarHBondContact O-OG 3.11Å; S731-S735 PolarHBondContact O-N 2.96Å |
| 732 | G | 68.6 | Low | 61 | Low | 46 Ų | 46 | 95.8 Ų | 95.8 | 47% | 0.474 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | T728 Q729 I730 S735 S736 | T728-G732 PolarHBondContact O-N 3.38Å; Q729-G732 PolarHBondContact O-N 3.02Å; I730-G732 VanDerWaalsContact C-N 3.34Å; I730-G732 PolarHBondContact O-N 2.97Å; G732-S735 PolarHBondContact O-N 3.23Å; G732-S736 PolarHBondContact O-N 3.44Å |
| 733 | E | 65 | Low | 61.8 | Low | 108 Ų | 108 | 97.6 Ų | 97.6 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | -179.5 | -155 | 72.7 | -150.7 | 0 | 0 | 112.2 | Q729 I730 S736 R737 | Q729-E733 PolarHBondContact O-N 3.47Å; I730-E733 PolarHBondContact O-N 3.26Å; E733-S736 PolarHBondContact O-N 3.2Å; E733-S736 PolarHBondContact O-OG 3.22Å; E733-R737 WeakPolarHBondContact O-CG 3.48Å; E733-R737 PolarHBondContact O-N 3.49Å |
| 734 | L | 60.2 | Low | 62.4 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.7 | -103.4 | 117.4 | 0 | 0 | 0 | 111.9 | I730 S736 R737 F738 | I730-L734 HydrophobicContact CG2-CD1 3.58Å; I730-L734 WeakPolarHBondContact O-CD1 3.43Å; I730-L734 PolarHBondContact O-N 2.77Å; L734-S736 PolarHBondContact O-N 3.03Å; L734-R737 PolarHBondContact O-N 3.47Å; L734-F738 HydrophobicContact CD2-CE2 4.19Å; L734-F738 WeakPolarHBondContact O-CD2 3.45Å; L734-F738 PolarHBondContact O-N 3.29Å |
| 735 | S | 65.3 | Low | 62.5 | Low | 76 Ų | 76 | 99.4 Ų | 99.4 | 53% | 0.531 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 177.9 | -168.2 | 0 | 0 | 0 | 0 | 112.2 | S731 G732 F738 S739 | S731-S735 PolarHBondContact O-N 2.96Å; G732-S735 PolarHBondContact O-N 3.23Å; S735-F738 PolarHBondContact O-N 3.03Å; S735-S739 PolarHBondContact O-N 3.26Å; S735-S739 PolarHBondContact O-OG 3.36Å |
| 736 | S | 67.2 | Low | 63 | Low | 53 Ų | 53 | 104.2 Ų | 104.2 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.6 | -36.8 | 175.7 | 93.7 | 0 | 0 | 0 | 0 | 112.3 | G732 E733 L734 R740 | G732-S736 PolarHBondContact O-N 3.44Å; E733-S736 PolarHBondContact O-N 3.2Å; E733-S736 PolarHBondContact O-OG 3.22Å; L734-S736 PolarHBondContact O-N 3.03Å; S736-R740 PolarHBondContact O-N 3.46Å |
| 737 | R | 59.6 | Low | 63.4 | Low | 153 Ų | 153 | 103.5 Ų | 103.5 | 58% | 0.577 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 174.6 | -80.3 | -178.3 | 177.6 | -149 | 0.1 | 112.2 | E733 L734 S739 R740 L741 | E733-R737 WeakPolarHBondContact O-CG 3.48Å; E733-R737 PolarHBondContact O-N 3.49Å; L734-R737 PolarHBondContact O-N 3.47Å; R737-S739 VanDerWaalsContact C-N 3.31Å; R737-S739 PolarHBondContact O-N 3.47Å; R737-R740 PolarHBondContact O-N 3.39Å; R737-L741 PolarHBondContact O-N 2.81Å |
| 738 | F | 60.6 | Low | 63.5 | Low | 134 Ų | 134 | 100.8 Ų | 100.8 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.2 | -41.5 | 177.5 | -97.6 | -72 | 0 | 0 | 0 | 112.1 | L734 S735 L741 T742 | L734-F738 HydrophobicContact CD2-CE2 4.19Å; L734-F738 WeakPolarHBondContact O-CD2 3.45Å; L734-F738 PolarHBondContact O-N 3.29Å; S735-F738 PolarHBondContact O-N 3.03Å; F738-L741 PolarHBondContact O-N 3.34Å; F738-T742 PolarHBondContact O-N 3.46Å; F738-T742 PolarHBondContact O-OG1 3.29Å |
| 739 | S | 69.7 | Low | 63.6 | Low | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.6 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | S735 R737 L741 T742 E743 | S735-S739 PolarHBondContact O-N 3.26Å; S735-S739 PolarHBondContact O-OG 3.36Å; R737-S739 VanDerWaalsContact C-N 3.31Å; R737-S739 PolarHBondContact O-N 3.47Å; S739-L741 PolarHBondContact O-N 2.83Å; S739-T742 PolarHBondContact O-N 3Å; S739-E743 PolarHBondContact O-N 3.02Å |
| 740 | R | 63.1 | Low | 63.7 | Low | 151 Ų | 151 | 98.9 Ų | 98.9 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -39 | 177.7 | -70.8 | -173.2 | -63.5 | 156.7 | -3.1 | 113.2 | S736 R737 T742 E743 F744 | S736-R740 PolarHBondContact O-N 3.46Å; R737-R740 PolarHBondContact O-N 3.39Å; R740-T742 VanDerWaalsContact C-N 3.29Å; R740-T742 PolarHBondContact O-N 2.79Å; R740-E743 PolarHBondContact O-N 3.23Å; R740-F744 WeakPolarHBondContact O-CB 3.17Å; R740-F744 PolarHBondContact O-N 3.5Å |
| 741 | L | 57.8 | Low | 64.1 | Low | 123 Ų | 123 | 99.7 Ų | 99.7 | 64% | 0.644 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -38.1 | 177 | -133.4 | 96.2 | 0 | 0 | 0 | 111.2 | R737 F738 S739 F744 S745 | R737-L741 PolarHBondContact O-N 2.81Å; F738-L741 PolarHBondContact O-N 3.34Å; S739-L741 PolarHBondContact O-N 2.83Å; L741-F744 PolarHBondContact O-N 3.3Å; L741-S745 WeakPolarHBondContact O-CB 3.13Å; L741-S745 PolarHBondContact O-N 3.32Å |
| 742 | T | 69.9 | Low | 64.1 | Low | 63 Ų | 63 | 100.1 Ų | 100.1 | 39% | 0.387 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 178.4 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | F738 S739 R740 R746 | F738-T742 PolarHBondContact O-N 3.46Å; F738-T742 PolarHBondContact O-OG1 3.29Å; S739-T742 PolarHBondContact O-N 3Å; R740-T742 VanDerWaalsContact C-N 3.29Å; R740-T742 PolarHBondContact O-N 2.79Å; T742-R746 PolarHBondContact O-N 2.88Å; T742-R746 VanDerWaalsContact O-N 3.1Å |
| 743 | E | 70.5 | Confident | 64 | Low | 135 Ų | 135 | 102.8 Ų | 102.8 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.1 | -44.5 | 173.9 | -112 | 174.3 | 177.8 | 0 | 0 | 112.5 | S739 R740 S745 R746 S747 | S739-E743 PolarHBondContact O-N 3.02Å; R740-E743 PolarHBondContact O-N 3.23Å; E743-S745 VanDerWaalsContact C-N 3.33Å; E743-S745 PolarHBondContact O-N 3.41Å; E743-R746 PolarHBondContact O-N 2.9Å; E743-S747 WeakPolarHBondContact O-CB 3.47Å; E743-S747 PolarHBondContact O-N 3.23Å |
| 744 | F | 64.7 | Low | 64.2 | Low | 145 Ų | 145 | 103.5 Ų | 103.5 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.2 | -41.6 | 175.9 | -179.8 | -101.7 | 0 | 0 | 0 | 112 | R740 L741 S747 S748 | R740-F744 WeakPolarHBondContact O-CB 3.17Å; R740-F744 PolarHBondContact O-N 3.5Å; L741-F744 PolarHBondContact O-N 3.3Å; F744-S747 PolarHBondContact O-N 3.44Å; F744-S748 WeakPolarHBondContact O-CB 3.48Å; F744-S748 PolarHBondContact O-N 3.31Å; F744-S748 PolarHBondContact O-OG 2.97Å |
| 745 | S | 59.6 | Low | 64.1 | Low | 65 Ų | 65 | 104.6 Ų | 104.6 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.4 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | L741 E743 Q749 | L741-S745 WeakPolarHBondContact O-CB 3.13Å; L741-S745 PolarHBondContact O-N 3.32Å; E743-S745 VanDerWaalsContact C-N 3.33Å; E743-S745 PolarHBondContact O-N 3.41Å; S745-Q749 VanDerWaalsContact O-CB 3.32Å; S745-Q749 WeakPolarHBondContact O-CB 3.47Å; S745-Q749 PolarHBondContact O-N 3.02Å |
| 746 | R | 72.6 | Confident | 64.1 | Low | 175 Ų | 175 | 107.1 Ų | 107.1 | 66% | 0.66 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 175.9 | -75.2 | -175.1 | -166.3 | 133.8 | 3.1 | 112.3 | T742 E743 Q749 S750 | T742-R746 PolarHBondContact O-N 2.88Å; T742-R746 VanDerWaalsContact O-N 3.1Å; E743-R746 PolarHBondContact O-N 2.9Å; R746-Q749 PolarHBondContact O-N 3.23Å; R746-S750 PolarHBondContact O-N 3.29Å |
| 747 | S | 62.2 | Low | 64 | Low | 74 Ų | 74 | 107.3 Ų | 107.3 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 177.4 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | E743 F744 Q749 S750 E751 | E743-S747 WeakPolarHBondContact O-CB 3.47Å; E743-S747 PolarHBondContact O-N 3.23Å; F744-S747 PolarHBondContact O-N 3.44Å; S747-Q749 VanDerWaalsContact C-N 3.33Å; S747-Q749 PolarHBondContact O-N 2.89Å; S747-S750 PolarHBondContact O-N 2.98Å; S747-E751 PolarHBondContact O-N 2.94Å; S747-E751 VanDerWaalsContact O-N 3.11Å |
| 748 | S | 52 | Low | 64.2 | Low | 44 Ų | 44 | 103 Ų | 103 | 31% | 0.308 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | F744 S750 E751 V752 | F744-S748 WeakPolarHBondContact O-CB 3.48Å; F744-S748 PolarHBondContact O-N 3.31Å; F744-S748 PolarHBondContact O-OG 2.97Å; S748-S750 VanDerWaalsContact C-N 3.34Å; S748-S750 PolarHBondContact O-N 3.47Å; S748-E751 PolarHBondContact O-N 3.47Å; S748-V752 VanDerWaalsContact O-CG2 3.29Å; S748-V752 WeakPolarHBondContact O-CG2 3.42Å; S748-V752 PolarHBondContact O-N 2.93Å |
| 749 | Q | 66.3 | Low | 64 | Low | 133 Ų | 133 | 101.2 Ų | 101.2 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.8 | -33.4 | 179.2 | -157.6 | 154.7 | 12.6 | 0 | 0 | 112.6 | S745 R746 S747 E753 | S745-Q749 VanDerWaalsContact O-CB 3.32Å; S745-Q749 WeakPolarHBondContact O-CB 3.47Å; S745-Q749 PolarHBondContact O-N 3.02Å; R746-Q749 PolarHBondContact O-N 3.23Å; S747-Q749 VanDerWaalsContact C-N 3.33Å; S747-Q749 PolarHBondContact O-N 2.89Å; Q749-E753 PolarHBondContact O-N 3.42Å; Q749-E753 VanDerWaalsContact O-N 3.11Å |
| 750 | S | 66.6 | Low | 63.7 | Low | 62 Ų | 62 | 100.9 Ų | 100.9 | 43% | 0.434 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | R746 S747 S748 K754 | R746-S750 PolarHBondContact O-N 3.29Å; S747-S750 PolarHBondContact O-N 2.98Å; S748-S750 VanDerWaalsContact C-N 3.34Å; S748-S750 PolarHBondContact O-N 3.47Å; S750-K754 PolarHBondContact O-N 3.4Å; S750-K754 VanDerWaalsContact O-N 3.11Å |
| 751 | E | 63.3 | Low | 63.9 | Low | 101 Ų | 101 | 98.9 Ų | 98.9 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 176.5 | -84.7 | -67.1 | 130.5 | 0 | 0 | 111.2 | S747 S748 E753 K754 L755 | S747-E751 PolarHBondContact O-N 2.94Å; S747-E751 VanDerWaalsContact O-N 3.11Å; S748-E751 PolarHBondContact O-N 3.47Å; E751-E753 PolarHBondContact O-N 3.04Å; E751-K754 PolarHBondContact O-N 3.26Å; E751-K754 IonicContact OE1-NZ 2.68Å; E751-L755 PolarHBondContact O-N 3.1Å |
| 752 | V | 60.6 | Low | 64 | Low | 95 Ų | 95 | 99 Ų | 99 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | S748 L755 K756 | S748-V752 VanDerWaalsContact O-CG2 3.29Å; S748-V752 WeakPolarHBondContact O-CG2 3.42Å; S748-V752 PolarHBondContact O-N 2.93Å; V752-L755 PolarHBondContact O-N 3.05Å; V752-K756 VanDerWaalsContact O-CB 3.31Å; V752-K756 WeakPolarHBondContact O-CB 3.32Å; V752-K756 PolarHBondContact O-N 2.67Å |
| 753 | E | 68 | Low | 63.1 | Low | 101 Ų | 101 | 102.1 Ų | 102.1 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69 | -33.7 | 175.4 | -95.4 | -60.8 | 164.4 | 0 | 0 | 113.2 | Q749 E751 K756 S757 | Q749-E753 PolarHBondContact O-N 3.42Å; Q749-E753 VanDerWaalsContact O-N 3.11Å; E751-E753 PolarHBondContact O-N 3.04Å; E753-K756 PolarHBondContact O-N 3.09Å; E753-K756 IonicContact OE1-NZ 2.73Å; E753-S757 WeakPolarHBondContact O-CB 3.42Å; E753-S757 PolarHBondContact O-N 2.72Å; E753-S757 PolarHBondContact O-OG 3.29Å |
| 754 | K | 69.6 | Low | 62.8 | Low | 124 Ų | 124 | 102.2 Ų | 102.2 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 171.1 | -80.1 | -179.8 | -177.4 | 171.1 | 0 | 112.2 | S750 E751 S757 S758 | S750-K754 PolarHBondContact O-N 3.4Å; S750-K754 VanDerWaalsContact O-N 3.11Å; E751-K754 PolarHBondContact O-N 3.26Å; E751-K754 IonicContact OE1-NZ 2.68Å; K754-S757 WeakPolarHBondContact CA-OG 3.16Å; K754-S757 PolarHBondContact O-OG 3.48Å; K754-S758 VanDerWaalsContact O-CB 3.3Å; K754-S758 WeakPolarHBondContact O-CB 3.2Å; K754-S758 PolarHBondContact O-N 3.37Å |
| 755 | L | 57.4 | Low | 62.9 | Low | 114 Ų | 114 | 102.4 Ų | 102.4 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 175.2 | -89.9 | 160.8 | 0 | 0 | 0 | 111.4 | E751 V752 S758 L759 | E751-L755 PolarHBondContact O-N 3.1Å; V752-L755 PolarHBondContact O-N 3.05Å; L755-S758 PolarHBondContact O-N 3.17Å; L755-L759 VanDerWaalsContact O-CB 3.3Å; L755-L759 WeakPolarHBondContact O-CB 3.32Å; L755-L759 PolarHBondContact O-N 3.27Å |
| 756 | K | 64.1 | Low | 62.6 | Low | 130 Ų | 130 | 104.6 Ų | 104.6 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 178.6 | -170 | -178.3 | 174.8 | -167.5 | 0 | 112.1 | V752 E753 L759 S760 | V752-K756 VanDerWaalsContact O-CB 3.31Å; V752-K756 WeakPolarHBondContact O-CB 3.32Å; V752-K756 PolarHBondContact O-N 2.67Å; E753-K756 PolarHBondContact O-N 3.09Å; E753-K756 IonicContact OE1-NZ 2.73Å; K756-L759 PolarHBondContact O-N 3.42Å; K756-S760 WeakPolarHBondContact O-CB 3.42Å; K756-S760 PolarHBondContact O-N 3.5Å |
| 757 | S | 66.4 | Low | 62 | Low | 57 Ų | 57 | 101.7 Ų | 101.7 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.3 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | E753 K754 S760 N761 | E753-S757 WeakPolarHBondContact O-CB 3.42Å; E753-S757 PolarHBondContact O-N 2.72Å; E753-S757 PolarHBondContact O-OG 3.29Å; K754-S757 WeakPolarHBondContact CA-OG 3.16Å; K754-S757 PolarHBondContact O-OG 3.48Å; S757-S760 PolarHBondContact O-N 3.49Å; S757-N761 PolarHBondContact O-N 2.98Å |
| 758 | S | 64.2 | Low | 62.4 | Low | 62 Ų | 62 | 102.8 Ų | 102.8 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 175.2 | -165.4 | 0 | 0 | 0 | 0 | 112.5 | K754 L755 K762 | K754-S758 VanDerWaalsContact O-CB 3.3Å; K754-S758 WeakPolarHBondContact O-CB 3.2Å; K754-S758 PolarHBondContact O-N 3.37Å; L755-S758 PolarHBondContact O-N 3.17Å; S758-K762 PolarHBondContact O-N 3.1Å; S758-K762 VanDerWaalsContact O-N 3.14Å |
| 759 | L | 55.9 | Low | 63 | Low | 97 Ų | 97 | 104.8 Ų | 104.8 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 177.6 | -167.2 | 68.5 | 0 | 0 | 0 | 111.3 | F676 L755 K756 K762 Q763 | F676-L759 HydrophobicContact CZ-CD1 4.42Å; L755-L759 VanDerWaalsContact O-CB 3.3Å; L755-L759 WeakPolarHBondContact O-CB 3.32Å; L755-L759 PolarHBondContact O-N 3.27Å; K756-L759 PolarHBondContact O-N 3.42Å; L759-K762 PolarHBondContact O-N 3.31Å; L759-Q763 WeakPolarHBondContact O-CB 3.46Å; L759-Q763 PolarHBondContact O-N 3.48Å |
| 760 | S | 63.5 | Low | 62.4 | Low | 67 Ų | 67 | 103 Ų | 103 | 47% | 0.469 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 176.9 | -162.5 | 0 | 0 | 0 | 0 | 111.8 | K756 S757 K762 Q763 E764 | K756-S760 WeakPolarHBondContact O-CB 3.42Å; K756-S760 PolarHBondContact O-N 3.5Å; S757-S760 PolarHBondContact O-N 3.49Å; S760-K762 VanDerWaalsContact C-N 3.33Å; S760-K762 PolarHBondContact O-N 3.28Å; S760-Q763 PolarHBondContact O-N 3.28Å; S760-E764 PolarHBondContact O-N 2.86Å |
| 761 | N | 66.9 | Low | 62.3 | Low | 109 Ų | 109 | 103 Ų | 103 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.7 | -36.7 | 176.8 | -80.7 | -12.5 | 0 | 0 | 0 | 112.6 | S757 K765 | S757-N761 PolarHBondContact O-N 2.98Å; N761-K765 PolarHBondContact O-N 2.75Å |
| 762 | K | 60.5 | Low | 62.4 | Low | 127 Ų | 127 | 103.9 Ų | 103.9 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.5 | -40.2 | 175.1 | -81.8 | -179.1 | 176.8 | 179.8 | 0 | 111.9 | S758 L759 S760 K765 I766 | S758-K762 PolarHBondContact O-N 3.1Å; S758-K762 VanDerWaalsContact O-N 3.14Å; L759-K762 PolarHBondContact O-N 3.31Å; S760-K762 VanDerWaalsContact C-N 3.33Å; S760-K762 PolarHBondContact O-N 3.28Å; K762-K765 PolarHBondContact O-N 3.29Å; K762-I766 WeakPolarHBondContact O-CG1 3.43Å; K762-I766 PolarHBondContact O-N 3.14Å |
| 763 | Q | 51.2 | Low | 62.2 | Low | 127 Ų | 127 | 101.1 Ų | 101.1 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 177 | -171.4 | 178.1 | -6 | 0 | 0 | 111.1 | L759 S760 K765 I766 L767 | L759-Q763 WeakPolarHBondContact O-CB 3.46Å; L759-Q763 PolarHBondContact O-N 3.48Å; S760-Q763 PolarHBondContact O-N 3.28Å; Q763-K765 VanDerWaalsContact C-N 3.31Å; Q763-K765 PolarHBondContact O-N 3.3Å; Q763-I766 PolarHBondContact O-N 3.48Å; Q763-L767 WeakPolarHBondContact O-CB 3.44Å; Q763-L767 PolarHBondContact O-N 3.47Å |
| 764 | E | 63.4 | Low | 61.8 | Low | 137 Ų | 137 | 101.8 Ų | 101.8 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.5 | -36.9 | 178.6 | -145 | 171.8 | -150.5 | 0 | 0 | 111.9 | S760 H768 | S760-E764 PolarHBondContact O-N 2.86Å; E764-H768 WeakPolarHBondContact O-CB 3.47Å; E764-H768 PolarHBondContact O-N 2.97Å |
| 765 | K | 66.2 | Low | 61.8 | Low | 150 Ų | 150 | 100.4 Ų | 100.4 | 65% | 0.652 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67 | -46.2 | 175.6 | -135 | 178.3 | -175.2 | -176 | 0 | 112.5 | N761 K762 Q763 L767 H768 D769 | N761-K765 PolarHBondContact O-N 2.75Å; K762-K765 PolarHBondContact O-N 3.29Å; Q763-K765 VanDerWaalsContact C-N 3.31Å; Q763-K765 PolarHBondContact O-N 3.3Å; K765-L767 VanDerWaalsContact C-N 3.34Å; K765-L767 PolarHBondContact O-N 2.95Å; K765-H768 WeakPolarHBondContact O-CB 3.5Å; K765-H768 PolarHBondContact O-N 2.95Å; K765-D769 PolarHBondContact O-N 2.98Å |
| 766 | I | 53.9 | Low | 61.9 | Low | 111 Ų | 111 | 98.4 Ų | 98.4 | 57% | 0.569 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 176.6 | -67.5 | 166.9 | 0 | 0 | 0 | 110.3 | K762 Q763 H768 D769 V770 | K762-I766 WeakPolarHBondContact O-CG1 3.43Å; K762-I766 PolarHBondContact O-N 3.14Å; Q763-I766 PolarHBondContact O-N 3.48Å; I766-H768 VanDerWaalsContact C-N 3.31Å; I766-H768 PolarHBondContact O-N 3.47Å; I766-D769 PolarHBondContact O-N 3.4Å; I766-V770 HydrophobicContact CG2-CG2 4.4Å; I766-V770 VanDerWaalsContact O-CG2 3.31Å; I766-V770 WeakPolarHBondContact O-CG2 3.35Å; I766-V770 PolarHBondContact O-N 3.45Å |
| 767 | L | 59.6 | Low | 61.6 | Low | 113 Ų | 113 | 95 Ų | 95 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 178 | -148.1 | 87.8 | 0 | 0 | 0 | 111.1 | Q763 K765 V770 C771 | Q763-L767 WeakPolarHBondContact O-CB 3.44Å; Q763-L767 PolarHBondContact O-N 3.47Å; K765-L767 VanDerWaalsContact C-N 3.34Å; K765-L767 PolarHBondContact O-N 2.95Å; L767-V770 PolarHBondContact O-N 3.35Å; L767-C771 WeakPolarHBondContact O-CB 3.43Å; L767-C771 PolarHBondContact O-N 3.27Å; L767-C771 PolarHBondContact O-SG 3.44Å |
| 768 | H | 70.3 | Confident | 61.6 | Low | 98 Ų | 98 | 96.2 Ų | 96.2 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.5 | -175.9 | 68 | 0 | 0 | 0 | 112.7 | E764 K765 I766 C771 K772 | E764-H768 WeakPolarHBondContact O-CB 3.47Å; E764-H768 PolarHBondContact O-N 2.97Å; K765-H768 WeakPolarHBondContact O-CB 3.5Å; K765-H768 PolarHBondContact O-N 2.95Å; I766-H768 VanDerWaalsContact C-N 3.31Å; I766-H768 PolarHBondContact O-N 3.47Å; H768-C771 PolarHBondContact O-N 3.16Å; H768-K772 WeakPolarHBondContact NE2-CE 3.46Å; H768-K772 PolarHBondContact NE2-NZ 3.22Å; H768-K772 PolarHBondContact O-N 2.97Å |
| 769 | D | 64.3 | Low | 61.8 | Low | 85 Ų | 85 | 98.4 Ų | 98.4 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 179.9 | -66.6 | -21.4 | 0 | 0 | 0 | 111.4 | K765 I766 K772 A773 | K765-D769 PolarHBondContact O-N 2.98Å; I766-D769 PolarHBondContact O-N 3.4Å; D769-K772 PolarHBondContact O-N 3.22Å; D769-A773 PolarHBondContact O-N 3.18Å |
| 770 | V | 54.9 | Low | 61.8 | Low | 95 Ų | 95 | 95.6 Ų | 95.6 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | I766 L767 A773 H774 | I766-V770 HydrophobicContact CG2-CG2 4.4Å; I766-V770 VanDerWaalsContact O-CG2 3.31Å; I766-V770 WeakPolarHBondContact O-CG2 3.35Å; I766-V770 PolarHBondContact O-N 3.45Å; L767-V770 PolarHBondContact O-N 3.35Å; V770-A773 PolarHBondContact O-N 3.4Å; V770-H774 WeakPolarHBondContact O-CB 3.25Å; V770-H774 PolarHBondContact O-N 3.48Å |
| 771 | C | 64.2 | Low | 61.5 | Low | 63 Ų | 63 | 96.4 Ų | 96.4 | 43% | 0.426 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 176.1 | -73 | 0 | 0 | 0 | 0 | 111.9 | L767 H768 A773 H774 D775 | L767-C771 WeakPolarHBondContact O-CB 3.43Å; L767-C771 PolarHBondContact O-N 3.27Å; L767-C771 PolarHBondContact O-SG 3.44Å; H768-C771 PolarHBondContact O-N 3.16Å; C771-A773 PolarHBondContact O-N 3.34Å; C771-H774 WeakPolarHBondContact O-CB 3.44Å; C771-H774 PolarHBondContact O-N 2.83Å; C771-H774 VanDerWaalsContact O-N 3.17Å; C771-D775 PolarHBondContact O-N 3Å |
| 772 | K | 66.1 | Low | 61.5 | Low | 119 Ų | 119 | 95.6 Ų | 95.6 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 174.4 | -89.3 | 178.9 | 167.2 | 162.1 | 0 | 112.8 | H768 D769 H774 D775 S776 | H768-K772 WeakPolarHBondContact NE2-CE 3.46Å; H768-K772 PolarHBondContact NE2-NZ 3.22Å; H768-K772 PolarHBondContact O-N 2.97Å; D769-K772 PolarHBondContact O-N 3.22Å; K772-H774 VanDerWaalsContact C-N 3.32Å; K772-D775 PolarHBondContact O-N 3.09Å; K772-S776 WeakPolarHBondContact O-CB 3.43Å; K772-S776 PolarHBondContact O-N 2.87Å |
| 773 | A | 56.2 | Low | 61.4 | Low | 38 Ų | 38 | 97.8 Ų | 97.8 | 31% | 0.314 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | D769 V770 C771 S776 N777 | D769-A773 PolarHBondContact O-N 3.18Å; V770-A773 PolarHBondContact O-N 3.4Å; C771-A773 PolarHBondContact O-N 3.34Å; A773-S776 PolarHBondContact O-N 3.11Å; A773-N777 WeakPolarHBondContact O-CB 3.39Å; A773-N777 PolarHBondContact O-N 3.32Å; A773-N777 PolarHBondContact O-ND2 3.25Å |
| 774 | H | 58 | Low | 61.6 | Low | 114 Ų | 114 | 94.3 Ų | 94.3 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 175.4 | -173.5 | 70.4 | 0 | 0 | 0 | 112.4 | V770 C771 K772 S776 N777 M778 | V770-H774 WeakPolarHBondContact O-CB 3.25Å; V770-H774 PolarHBondContact O-N 3.48Å; C771-H774 WeakPolarHBondContact O-CB 3.44Å; C771-H774 PolarHBondContact O-N 2.83Å; C771-H774 VanDerWaalsContact O-N 3.17Å; K772-H774 VanDerWaalsContact C-N 3.32Å; H774-S776 VanDerWaalsContact C-N 3.35Å; H774-S776 PolarHBondContact O-N 2.93Å; H774-N777 PolarHBondContact O-N 3.36Å; H774-M778 PolarHBondContact O-N 3.21Å |
| 775 | D | 69.6 | Low | 61.7 | Low | 96 Ų | 96 | 94.2 Ų | 94.2 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 177.8 | -71.1 | -20.8 | 0 | 0 | 0 | 111.4 | C771 K772 N777 M778 I779 | C771-D775 PolarHBondContact O-N 3Å; K772-D775 PolarHBondContact O-N 3.09Å; D775-N777 VanDerWaalsContact C-N 3.35Å; D775-N777 PolarHBondContact O-N 3.45Å; D775-M778 PolarHBondContact O-N 3.45Å; D775-I779 WeakPolarHBondContact O-CG1 3.36Å; D775-I779 PolarHBondContact O-N 3.02Å |
| 776 | S | 61.3 | Low | 61.6 | Low | 72 Ų | 72 | 93.5 Ų | 93.5 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.7 | -166 | 0 | 0 | 0 | 0 | 112.2 | K772 A773 H774 I779 S780 | K772-S776 WeakPolarHBondContact O-CB 3.43Å; K772-S776 PolarHBondContact O-N 2.87Å; A773-S776 PolarHBondContact O-N 3.11Å; H774-S776 VanDerWaalsContact C-N 3.35Å; H774-S776 PolarHBondContact O-N 2.93Å; S776-I779 PolarHBondContact O-N 3.1Å; S776-S780 PolarHBondContact O-N 3.28Å; S776-S780 VanDerWaalsContact O-N 3.13Å; S776-S780 PolarHBondContact O-OG 3.28Å |
| 777 | N | 57.2 | Low | 61.7 | Low | 58 Ų | 58 | 90.4 Ų | 90.4 | 31% | 0.31 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 174 | -79.1 | -22.9 | 0 | 0 | 0 | 111.9 | A773 H774 D775 S780 I781 | A773-N777 WeakPolarHBondContact O-CB 3.39Å; A773-N777 PolarHBondContact O-N 3.32Å; A773-N777 PolarHBondContact O-ND2 3.25Å; H774-N777 PolarHBondContact O-N 3.36Å; D775-N777 VanDerWaalsContact C-N 3.35Å; D775-N777 PolarHBondContact O-N 3.45Å; N777-S780 WeakPolarHBondContact O-CB 3.46Å; N777-S780 PolarHBondContact O-N 3.35Å; N777-I781 WeakPolarHBondContact O-CG1 3.34Å; N777-I781 PolarHBondContact O-N 3.15Å |
| 778 | M | 65.7 | Low | 61.8 | Low | 82 Ų | 82 | 88.9 Ų | 88.9 | 40% | 0.404 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 177.6 | -106.4 | -62.1 | 150.7 | 0 | 0 | 112.8 | H774 D775 S780 I781 N782 | H774-M778 PolarHBondContact O-N 3.21Å; D775-M778 PolarHBondContact O-N 3.45Å; M778-S780 VanDerWaalsContact C-N 3.27Å; M778-S780 PolarHBondContact O-N 3.25Å; M778-I781 HydrophobicContact CE-CD1 4.2Å; M778-I781 PolarHBondContact O-N 3.42Å; M778-N782 PolarHBondContact O-N 3.42Å; M778-N782 PolarHBondContact O-ND2 3.42Å |
| 779 | I | 69 | Low | 61.6 | Low | 108 Ų | 108 | 89.1 Ų | 89.1 | 55% | 0.554 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.1 | -41.6 | 172.4 | -67.3 | 166.3 | 0 | 0 | 0 | 110.2 | D775 S776 N782 R783 | D775-I779 WeakPolarHBondContact O-CG1 3.36Å; D775-I779 PolarHBondContact O-N 3.02Å; S776-I779 PolarHBondContact O-N 3.1Å; I779-N782 PolarHBondContact O-N 2.96Å; I779-R783 PolarHBondContact O-N 2.89Å |
| 780 | S | 55.5 | Low | 61.5 | Low | 38 Ų | 38 | 88.8 Ų | 88.8 | 27% | 0.266 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 178.8 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | S776 N777 M778 R783 L784 | S776-S780 PolarHBondContact O-N 3.28Å; S776-S780 VanDerWaalsContact O-N 3.13Å; S776-S780 PolarHBondContact O-OG 3.28Å; N777-S780 WeakPolarHBondContact O-CB 3.46Å; N777-S780 PolarHBondContact O-N 3.35Å; M778-S780 VanDerWaalsContact C-N 3.27Å; M778-S780 PolarHBondContact O-N 3.25Å; S780-R783 PolarHBondContact O-N 3.1Å; S780-L784 PolarHBondContact O-N 3.04Å |
| 781 | I | 57.9 | Low | 61.6 | Low | 84 Ų | 84 | 87.7 Ų | 87.7 | 43% | 0.431 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.2 | -70.7 | 167.9 | 0 | 0 | 0 | 110.9 | N777 M778 R783 L784 K785 | N777-I781 WeakPolarHBondContact O-CG1 3.34Å; N777-I781 PolarHBondContact O-N 3.15Å; M778-I781 HydrophobicContact CE-CD1 4.2Å; M778-I781 PolarHBondContact O-N 3.42Å; I781-R783 VanDerWaalsContact C-N 3.34Å; I781-R783 PolarHBondContact O-N 3.28Å; I781-L784 WeakPolarHBondContact O-CB 3.5Å; I781-L784 PolarHBondContact O-N 3.06Å; I781-K785 PolarHBondContact O-N 3.49Å |
| 782 | N | 66.6 | Low | 61.4 | Low | 93 Ų | 93 | 87.5 Ų | 87.5 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 177.1 | -77.1 | -35.6 | 0 | 0 | 0 | 112 | M778 I779 K785 E786 | M778-N782 PolarHBondContact O-N 3.42Å; M778-N782 PolarHBondContact O-ND2 3.42Å; I779-N782 PolarHBondContact O-N 2.96Å; N782-K785 WeakPolarHBondContact O-CB 3.48Å; N782-K785 PolarHBondContact O-N 3.26Å; N782-E786 PolarHBondContact O-N 3.18Å |
| 783 | R | 59.3 | Low | 61.5 | Low | 172 Ų | 172 | 87.9 Ų | 87.9 | 65% | 0.649 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 171.8 | -107 | 176.7 | 173.4 | 167.9 | -2.4 | 112.6 | I779 S780 I781 K785 E786 V787 | I779-R783 PolarHBondContact O-N 2.89Å; S780-R783 PolarHBondContact O-N 3.1Å; I781-R783 VanDerWaalsContact C-N 3.34Å; I781-R783 PolarHBondContact O-N 3.28Å; R783-K785 VanDerWaalsContact C-N 3.28Å; R783-K785 PolarHBondContact O-N 3.43Å; R783-E786 PolarHBondContact O-N 3.35Å; R783-V787 WeakPolarHBondContact O-CG2 3.35Å; R783-V787 PolarHBondContact O-N 3.21Å |
| 784 | L | 53.9 | Low | 61.6 | Low | 54 Ų | 54 | 90.1 Ų | 90.1 | 28% | 0.283 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 173.8 | -87.8 | 167.3 | 0 | 0 | 0 | 111.7 | S780 I781 E786 V787 T788 | S780-L784 PolarHBondContact O-N 3.04Å; I781-L784 WeakPolarHBondContact O-CB 3.5Å; I781-L784 PolarHBondContact O-N 3.06Å; L784-E786 VanDerWaalsContact C-N 3.33Å; L784-E786 PolarHBondContact O-N 3.46Å; L784-V787 PolarHBondContact O-N 3.36Å; L784-T788 VanDerWaalsContact O-CB 3.25Å; L784-T788 WeakPolarHBondContact O-CB 3.09Å; L784-T788 PolarHBondContact O-N 3.41Å; L784-T788 PolarHBondContact O-OG1 2.78Å |
| 785 | K | 65.1 | Low | 61.5 | Low | 135 Ų | 135 | 89.8 Ų | 89.8 | 59% | 0.587 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 176.5 | -143 | 176.5 | -173.2 | 179.7 | 0 | 111.4 | I781 N782 R783 N789 | I781-K785 PolarHBondContact O-N 3.49Å; N782-K785 WeakPolarHBondContact O-CB 3.48Å; N782-K785 PolarHBondContact O-N 3.26Å; R783-K785 VanDerWaalsContact C-N 3.28Å; R783-K785 PolarHBondContact O-N 3.43Å; K785-N789 VanDerWaalsContact O-CB 3.32Å; K785-N789 WeakPolarHBondContact O-CB 3.15Å; K785-N789 PolarHBondContact O-N 2.95Å; K785-N789 PolarHBondContact O-ND2 3.31Å; K785-N789 PolarHBondContact O-OD1 3.5Å |
| 786 | E | 64 | Low | 61.2 | Low | 136 Ų | 136 | 90.5 Ų | 90.5 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.9 | -43.8 | 177.9 | -156.4 | 173.5 | -152.5 | 0 | 0 | 112.4 | N782 R783 L784 N789 T790 | N782-E786 PolarHBondContact O-N 3.18Å; R783-E786 PolarHBondContact O-N 3.35Å; L784-E786 VanDerWaalsContact C-N 3.33Å; L784-E786 PolarHBondContact O-N 3.46Å; E786-N789 PolarHBondContact O-N 3.43Å; E786-T790 PolarHBondContact O-N 3.39Å; E786-T790 PolarHBondContact O-OG1 3.35Å |
| 787 | V | 56.9 | Low | 61.1 | Low | 45 Ų | 45 | 92.9 Ų | 92.9 | 27% | 0.273 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 111 | L648 R783 L784 N789 T790 V791 | L648-V787 HydrophobicContact CD1-CG1 4Å; R783-V787 WeakPolarHBondContact O-CG2 3.35Å; R783-V787 PolarHBondContact O-N 3.21Å; L784-V787 PolarHBondContact O-N 3.36Å; V787-N789 VanDerWaalsContact C-N 3.31Å; V787-N789 PolarHBondContact O-N 3.25Å; V787-T790 VanDerWaalsContact CA-OG1 3.24Å; V787-T790 WeakPolarHBondContact CA-OG1 3.16Å; V787-T790 PolarHBondContact O-N 3.34Å; V787-T790 PolarHBondContact O-OG1 2.71Å; V787-V791 HydrophobicContact CG1-CG2 4.42Å; V787-V791 WeakPolarHBondContact O-CG2 3.49Å; V787-V791 PolarHBondContact O-N 3.47Å |
| 788 | T | 61 | Low | 60.8 | Low | 81 Ų | 81 | 91.8 Ų | 91.8 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | L784 T790 V791 S792 | L784-T788 VanDerWaalsContact O-CB 3.25Å; L784-T788 WeakPolarHBondContact O-CB 3.09Å; L784-T788 PolarHBondContact O-N 3.41Å; L784-T788 PolarHBondContact O-OG1 2.78Å; T788-T790 PolarHBondContact O-N 3.4Å; T788-V791 PolarHBondContact O-N 3.1Å; T788-S792 WeakPolarHBondContact O-CB 3.46Å; T788-S792 PolarHBondContact O-N 3.23Å |
| 789 | N | 67.6 | Low | 60.4 | Low | 103 Ų | 103 | 93.1 Ų | 93.1 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.7 | -37.1 | 176.2 | -72.2 | -17.7 | 0 | 0 | 0 | 112.3 | K785 E786 V787 S792 H793 | K785-N789 VanDerWaalsContact O-CB 3.32Å; K785-N789 WeakPolarHBondContact O-CB 3.15Å; K785-N789 PolarHBondContact O-N 2.95Å; K785-N789 PolarHBondContact O-ND2 3.31Å; K785-N789 PolarHBondContact O-OD1 3.5Å; E786-N789 PolarHBondContact O-N 3.43Å; V787-N789 VanDerWaalsContact C-N 3.31Å; V787-N789 PolarHBondContact O-N 3.25Å; N789-S792 PolarHBondContact O-N 3.4Å; N789-H793 VanDerWaalsContact O-CB 3.27Å; N789-H793 WeakPolarHBondContact O-CB 3.44Å; N789-H793 PolarHBondContact O-N 3.42Å |
| 790 | T | 62.2 | Low | 60 | Low | 78 Ų | 78 | 89.6 Ų | 89.6 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 175.6 | 18.7 | 0 | 0 | 0 | 0 | 111.9 | E786 V787 T788 H793 N794 | E786-T790 PolarHBondContact O-N 3.39Å; E786-T790 PolarHBondContact O-OG1 3.35Å; V787-T790 VanDerWaalsContact CA-OG1 3.24Å; V787-T790 WeakPolarHBondContact CA-OG1 3.16Å; V787-T790 PolarHBondContact O-N 3.34Å; V787-T790 PolarHBondContact O-OG1 2.71Å; T788-T790 PolarHBondContact O-N 3.4Å; T790-H793 PolarHBondContact O-N 3.27Å; T790-N794 WeakPolarHBondContact O-CB 3.42Å; T790-N794 VanDerWaalsContact O-CG 3.27Å; T790-N794 PolarHBondContact O-N 2.94Å; T790-N794 PolarHBondContact O-ND2 3.15Å |
| 791 | V | 55.9 | Low | 60 | Low | 72 Ų | 72 | 91.8 Ų | 91.8 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 173.5 | 173 | 0 | 0 | 0 | 0 | 110.7 | V787 T788 N794 H795 | V787-V791 HydrophobicContact CG1-CG2 4.42Å; V787-V791 WeakPolarHBondContact O-CG2 3.49Å; V787-V791 PolarHBondContact O-N 3.47Å; T788-V791 PolarHBondContact O-N 3.1Å; V791-N794 PolarHBondContact O-N 3.44Å; V791-H795 WeakPolarHBondContact O-CB 3.38Å; V791-H795 PolarHBondContact O-N 3.09Å |
| 792 | S | 61.1 | Low | 59.7 | Low | 59 Ų | 59 | 90.6 Ų | 90.6 | 41% | 0.413 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65 | -42 | 176.2 | -139.1 | 0 | 0 | 0 | 0 | 111.6 | T788 N789 N794 H795 E796 | T788-S792 WeakPolarHBondContact O-CB 3.46Å; T788-S792 PolarHBondContact O-N 3.23Å; N789-S792 PolarHBondContact O-N 3.4Å; S792-N794 PolarHBondContact O-N 3Å; S792-H795 CarbonylContact O-C 3.43Å; S792-H795 WeakPolarHBondContact O-CB 3.48Å; S792-H795 PolarHBondContact O-N 2.93Å; S792-H795 VanDerWaalsContact O-N 3.16Å; S792-E796 PolarHBondContact O-N 3.39Å |
| 793 | H | 66.8 | Low | 59.4 | Low | 127 Ų | 127 | 91.2 Ų | 91.2 | 59% | 0.588 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | 175.6 | -173.7 | 67.5 | 0 | 0 | 0 | 112.1 | N789 T790 H795 E796 K797 | N789-H793 VanDerWaalsContact O-CB 3.27Å; N789-H793 WeakPolarHBondContact O-CB 3.44Å; N789-H793 PolarHBondContact O-N 3.42Å; T790-H793 PolarHBondContact O-N 3.27Å; H793-H795 VanDerWaalsContact C-N 3.31Å; H793-E796 PolarHBondContact O-N 3.01Å; H793-K797 WeakPolarHBondContact O-CB 3.28Å; H793-K797 PolarHBondContact O-N 3Å |
| 794 | N | 58.8 | Low | 59.3 | Low | 86 Ų | 86 | 87.7 Ų | 87.7 | 46% | 0.46 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 173.5 | -74.3 | -17.8 | 0 | 0 | 0 | 111.7 | T790 V791 S792 K797 L798 | T790-N794 WeakPolarHBondContact O-CB 3.42Å; T790-N794 VanDerWaalsContact O-CG 3.27Å; T790-N794 PolarHBondContact O-N 2.94Å; T790-N794 PolarHBondContact O-ND2 3.15Å; V791-N794 PolarHBondContact O-N 3.44Å; S792-N794 PolarHBondContact O-N 3Å; N794-K797 PolarHBondContact O-N 3.37Å; N794-L798 VanDerWaalsContact O-CB 3.26Å; N794-L798 WeakPolarHBondContact O-CB 3.33Å; N794-L798 PolarHBondContact O-N 2.68Å |
| 795 | H | 55.4 | Low | 59 | Low | 107 Ų | 107 | 86.2 Ų | 86.2 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 173.6 | -177.9 | 75.7 | 0 | 0 | 0 | 111.9 | V791 S792 H793 K797 L798 K799 | V791-H795 WeakPolarHBondContact O-CB 3.38Å; V791-H795 PolarHBondContact O-N 3.09Å; S792-H795 CarbonylContact O-C 3.43Å; S792-H795 WeakPolarHBondContact O-CB 3.48Å; S792-H795 PolarHBondContact O-N 2.93Å; S792-H795 VanDerWaalsContact O-N 3.16Å; H793-H795 VanDerWaalsContact C-N 3.31Å; H795-K797 VanDerWaalsContact C-N 3.32Å; H795-K797 PolarHBondContact O-N 3.16Å; H795-L798 WeakPolarHBondContact O-CB 3.48Å; H795-L798 PolarHBondContact O-N 3.34Å; H795-K799 WeakPolarHBondContact O-CB 3.43Å; H795-K799 PolarHBondContact O-N 3.07Å |
| 796 | E | 65.1 | Low | 58.1 | Low | 111 Ų | 111 | 85.8 Ų | 85.8 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 174.3 | -124.6 | 77.9 | -149.4 | 0 | 0 | 111.3 | S792 H793 K799 G800 | S792-E796 PolarHBondContact O-N 3.39Å; H793-E796 PolarHBondContact O-N 3.01Å; E796-K799 WeakPolarHBondContact O-CB 3.38Å; E796-K799 PolarHBondContact O-N 3.05Å; E796-G800 PolarHBondContact O-N 3.35Å |
| 797 | K | 57.4 | Low | 57.7 | Low | 122 Ų | 122 | 83.7 Ų | 83.7 | 53% | 0.53 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 176.2 | -165.1 | -176.5 | 177.6 | -171 | 0 | 111.8 | H793 N794 H795 K799 G800 E801 | H793-K797 WeakPolarHBondContact O-CB 3.28Å; H793-K797 PolarHBondContact O-N 3Å; N794-K797 PolarHBondContact O-N 3.37Å; H795-K797 VanDerWaalsContact C-N 3.32Å; H795-K797 PolarHBondContact O-N 3.16Å; K797-K799 VanDerWaalsContact C-N 3.33Å; K797-G800 PolarHBondContact O-N 3.08Å; K797-E801 WeakPolarHBondContact CE-OE1 3.27Å; K797-E801 PolarHBondContact O-N 3.16Å |
| 798 | L | 51 | Low | 57.4 | Low | 35 Ų | 35 | 85.1 Ų | 85.1 | 18% | 0.183 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 172.3 | 175.5 | 77 | 0 | 0 | 0 | 110.5 | L637 L641 N794 H795 G800 E801 V802 | L637-L798 HydrophobicContact CB-CD1 4.48Å; L637-L798 HydrophobicContact CD1-CD1 3.92Å; L637-L798 HydrophobicContact CD2-CD1 3.38Å; L637-L798 HydrophobicContact CG-CD1 4.11Å; L641-L798 HydrophobicContact CD1-CD1 4.3Å; L641-L798 HydrophobicContact CD1-CD2 3.91Å; N794-L798 VanDerWaalsContact O-CB 3.26Å; N794-L798 WeakPolarHBondContact O-CB 3.33Å; N794-L798 PolarHBondContact O-N 2.68Å; H795-L798 WeakPolarHBondContact O-CB 3.48Å; H795-L798 PolarHBondContact O-N 3.34Å; L798-G800 VanDerWaalsContact C-N 3.31Å; L798-G800 PolarHBondContact O-N 2.85Å; L798-E801 PolarHBondContact O-N 3.48Å; L798-V802 HydrophobicContact CD1-CG2 4.13Å; L798-V802 HydrophobicContact CG-CG2 4.2Å; L798-V802 VanDerWaalsContact O-CB 3.29Å; L798-V802 WeakPolarHBondContact O-CB 3.26Å; L798-V802 WeakPolarHBondContact O-CG2 3.3Å; L798-V802 PolarHBondContact O-N 2.85Å |
| 799 | K | 57.6 | Low | 56.6 | Low | 110 Ų | 110 | 83.5 Ų | 83.5 | 48% | 0.478 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 176.8 | -175.7 | -176 | 173.5 | -171 | 0 | 110.9 | H795 E796 K797 V802 E803 | H795-K799 WeakPolarHBondContact O-CB 3.43Å; H795-K799 PolarHBondContact O-N 3.07Å; E796-K799 WeakPolarHBondContact O-CB 3.38Å; E796-K799 PolarHBondContact O-N 3.05Å; K797-K799 VanDerWaalsContact C-N 3.33Å; K799-V802 PolarHBondContact O-N 2.85Å; K799-E803 WeakPolarHBondContact CE-OE1 3.44Å; K799-E803 WeakPolarHBondContact O-CB 3.45Å; K799-E803 WeakPolarHBondContact O-CG 3.45Å; K799-E803 PolarHBondContact O-N 2.86Å |
| 800 | G | 61.3 | Low | 55.5 | Low | 33 Ų | 33 | 81.5 Ų | 81.5 | 34% | 0.34 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E796 K797 L798 E803 N804 | E796-G800 PolarHBondContact O-N 3.35Å; K797-G800 PolarHBondContact O-N 3.08Å; L798-G800 VanDerWaalsContact C-N 3.31Å; L798-G800 PolarHBondContact O-N 2.85Å; G800-E803 PolarHBondContact O-N 3.46Å; G800-N804 WeakPolarHBondContact O-CB 3.41Å; G800-N804 PolarHBondContact O-N 3.43Å |
| 801 | E | 56.1 | Low | 54.9 | Low | 85 Ų | 85 | 83.9 Ų | 83.9 | 40% | 0.397 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.2 | -34.9 | 177.2 | -75.8 | -173.7 | -166 | 0 | 0 | 112.3 | L637 K797 L798 N804 C805 | L637-E801 WeakPolarHBondContact CD1-OE2 3.42Å; K797-E801 WeakPolarHBondContact CE-OE1 3.27Å; K797-E801 PolarHBondContact O-N 3.16Å; L798-E801 PolarHBondContact O-N 3.48Å; E801-N804 PolarHBondContact O-N 3.46Å; E801-C805 VanDerWaalsContact O-CB 3.23Å; E801-C805 WeakPolarHBondContact O-CB 3.39Å; E801-C805 PolarHBondContact O-N 3.42Å |
| 802 | V | 50.2 | Low | 54.3 | Low | 58 Ų | 58 | 83.2 Ų | 83.2 | 35% | 0.352 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 171.8 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L634 L798 K799 N804 C805 M806 | L634-V802 HydrophobicContact CD2-CG2 4.41Å; L798-V802 HydrophobicContact CD1-CG2 4.13Å; L798-V802 HydrophobicContact CG-CG2 4.2Å; L798-V802 VanDerWaalsContact O-CB 3.29Å; L798-V802 WeakPolarHBondContact O-CB 3.26Å; L798-V802 WeakPolarHBondContact O-CG2 3.3Å; L798-V802 PolarHBondContact O-N 2.85Å; K799-V802 PolarHBondContact O-N 2.85Å; V802-N804 VanDerWaalsContact C-N 3.31Å; V802-N804 PolarHBondContact O-N 3.21Å; V802-C805 PolarHBondContact O-N 2.9Å; V802-M806 WeakPolarHBondContact O-CB 3.5Å; V802-M806 PolarHBondContact O-N 2.83Å |
| 803 | E | 60.3 | Low | 53.3 | Low | 106 Ų | 106 | 83.3 Ų | 83.3 | 50% | 0.495 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 172.6 | -82.4 | 174.7 | -178.4 | 0 | 0 | 111.3 | K799 G800 M806 N807 | K799-E803 WeakPolarHBondContact CE-OE1 3.44Å; K799-E803 WeakPolarHBondContact O-CB 3.45Å; K799-E803 WeakPolarHBondContact O-CG 3.45Å; K799-E803 PolarHBondContact O-N 2.86Å; G800-E803 PolarHBondContact O-N 3.46Å; E803-M806 PolarHBondContact O-N 2.6Å; E803-N807 WeakPolarHBondContact O-CB 3.21Å; E803-N807 PolarHBondContact O-N 3.47Å; E803-N807 PolarHBondContact O-ND2 3.25Å |
| 804 | N | 58.3 | Low | 52.1 | Low | 98 Ų | 98 | 83.5 Ų | 83.5 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 175.7 | -116.9 | 12.3 | 0 | 0 | 0 | 112.8 | G800 E801 V802 M806 N807 N808 | G800-N804 WeakPolarHBondContact O-CB 3.41Å; G800-N804 PolarHBondContact O-N 3.43Å; E801-N804 PolarHBondContact O-N 3.46Å; V802-N804 VanDerWaalsContact C-N 3.31Å; V802-N804 PolarHBondContact O-N 3.21Å; N804-M806 VanDerWaalsContact C-N 3.28Å; N804-M806 PolarHBondContact O-N 2.71Å; N804-N807 PolarHBondContact O-N 2.89Å; N804-N808 WeakPolarHBondContact O-CB 3.46Å; N804-N808 PolarHBondContact O-N 3.35Å; N804-N808 PolarHBondContact O-ND2 2.86Å |
| 805 | C | 47.4 | Very low | 51.5 | Low | 24 Ų | 24 | 86.8 Ų | 86.8 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | Q630 E801 V802 N808 V809 | Q630-C805 PolarHBondContact OE1-SG 3.09Å; E801-C805 VanDerWaalsContact O-CB 3.23Å; E801-C805 WeakPolarHBondContact O-CB 3.39Å; E801-C805 PolarHBondContact O-N 3.42Å; V802-C805 PolarHBondContact O-N 2.9Å; C805-N808 PolarHBondContact O-N 3.35Å; C805-V809 WeakPolarHBondContact O-CB 3.49Å; C805-V809 VanDerWaalsContact O-CG2 3.24Å; C805-V809 WeakPolarHBondContact O-CG2 3.42Å; C805-V809 PolarHBondContact O-N 3.49Å |
| 806 | M | 45.3 | Very low | 50.9 | Low | 126 Ų | 126 | 88 Ų | 88 | 62% | 0.621 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 178.1 | -159.7 | 159.4 | 175.8 | 0 | 0 | 111.4 | V802 E803 N804 V809 C810 | V802-M806 WeakPolarHBondContact O-CB 3.5Å; V802-M806 PolarHBondContact O-N 2.83Å; E803-M806 PolarHBondContact O-N 2.6Å; N804-M806 VanDerWaalsContact C-N 3.28Å; N804-M806 PolarHBondContact O-N 2.71Å; M806-V809 PolarHBondContact O-N 2.86Å; M806-C810 WeakPolarHBondContact O-CB 3.47Å; M806-C810 PolarHBondContact O-N 3.25Å; M806-C810 PolarHBondContact O-SG 3.43Å |
| 807 | N | 55.1 | Low | 49.8 | Very low | 92 Ų | 92 | 85 Ų | 85 | 49% | 0.492 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 173.3 | -73.2 | -19.9 | 0 | 0 | 0 | 112.5 | E803 N804 C810 E811 | E803-N807 WeakPolarHBondContact O-CB 3.21Å; E803-N807 PolarHBondContact O-N 3.47Å; E803-N807 PolarHBondContact O-ND2 3.25Å; N804-N807 PolarHBondContact O-N 2.89Å; N807-C810 CarbonylContact O-C 3.6Å; N807-C810 WeakPolarHBondContact O-CB 3.44Å; N807-C810 PolarHBondContact O-N 3.38Å; N807-E811 PolarHBondContact O-N 3.03Å |
| 808 | N | 50.6 | Low | 49.3 | Very low | 75 Ų | 75 | 82.6 Ų | 82.6 | 40% | 0.401 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.9 | -37.3 | 176.8 | -73.2 | -26.1 | 0 | 0 | 0 | 111.9 | N804 C805 S812 | N804-N808 WeakPolarHBondContact O-CB 3.46Å; N804-N808 PolarHBondContact O-N 3.35Å; N804-N808 PolarHBondContact O-ND2 2.86Å; C805-N808 PolarHBondContact O-N 3.35Å; N808-S812 VanDerWaalsContact O-CB 3.25Å; N808-S812 WeakPolarHBondContact O-CB 3.42Å; N808-S812 PolarHBondContact O-N 3.33Å; N808-S812 PolarHBondContact O-OG 3.29Å |
| 809 | V | 44.7 | Very low | 48.8 | Very low | 46 Ų | 46 | 89 Ų | 89 | 28% | 0.279 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 170.7 | 170.3 | 0 | 0 | 0 | 0 | 109.6 | Q630 C805 M806 S812 V813 | Q630-V809 HydrophobicContact CG-CG2 3.93Å; C805-V809 WeakPolarHBondContact O-CB 3.49Å; C805-V809 VanDerWaalsContact O-CG2 3.24Å; C805-V809 WeakPolarHBondContact O-CG2 3.42Å; C805-V809 PolarHBondContact O-N 3.49Å; M806-V809 PolarHBondContact O-N 2.86Å; V809-S812 PolarHBondContact O-N 2.9Å; V809-V813 HydrophobicContact CG1-CG2 4.13Å; V809-V813 WeakPolarHBondContact O-CB 3.49Å; V809-V813 WeakPolarHBondContact O-CG2 3.37Å; V809-V813 PolarHBondContact O-N 3.21Å |
| 810 | C | 44.8 | Very low | 48.3 | Very low | 61 Ų | 61 | 84.6 Ų | 84.6 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 175.2 | -73.5 | 0 | 0 | 0 | 0 | 112.1 | M806 N807 S812 V813 E814 | M806-C810 WeakPolarHBondContact O-CB 3.47Å; M806-C810 PolarHBondContact O-N 3.25Å; M806-C810 PolarHBondContact O-SG 3.43Å; N807-C810 CarbonylContact O-C 3.6Å; N807-C810 WeakPolarHBondContact O-CB 3.44Å; N807-C810 PolarHBondContact O-N 3.38Å; C810-S812 PolarHBondContact O-N 3.14Å; C810-V813 CarbonylContact O-C 3.49Å; C810-V813 PolarHBondContact O-N 3.41Å; C810-E814 WeakPolarHBondContact O-CB 3.29Å; C810-E814 WeakPolarHBondContact O-CG 3.46Å; C810-E814 PolarHBondContact O-N 3.35Å |
| 811 | E | 49.4 | Very low | 47.6 | Very low | 129 Ų | 129 | 87.9 Ų | 87.9 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 176.9 | -80.4 | -171.7 | 165.5 | 0 | 0 | 112.1 | N807 V813 E814 Q815 | N807-E811 PolarHBondContact O-N 3.03Å; E811-V813 VanDerWaalsContact C-N 3.34Å; E811-E814 PolarHBondContact O-N 3.01Å; E811-Q815 PolarHBondContact O-N 3.13Å |
| 812 | S | 43 | Very low | 47.1 | Very low | 58 Ų | 58 | 84 Ų | 84 | 41% | 0.406 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.3 | -34.9 | 177.2 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | N808 V809 C810 F816 | N808-S812 VanDerWaalsContact O-CB 3.25Å; N808-S812 WeakPolarHBondContact O-CB 3.42Å; N808-S812 PolarHBondContact O-N 3.33Å; N808-S812 PolarHBondContact O-OG 3.29Å; V809-S812 PolarHBondContact O-N 2.9Å; C810-S812 PolarHBondContact O-N 3.14Å; S812-F816 WeakPolarHBondContact O-CB 3.43Å; S812-F816 PolarHBondContact O-N 3.38Å |
| 813 | V | 41.1 | Very low | 46.9 | Very low | 61 Ų | 61 | 84.1 Ų | 84.1 | 37% | 0.37 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.4 | -35.9 | 172.2 | 169 | 0 | 0 | 0 | 0 | 110.3 | V809 C810 E811 F816 V817 | V809-V813 HydrophobicContact CG1-CG2 4.13Å; V809-V813 WeakPolarHBondContact O-CB 3.49Å; V809-V813 WeakPolarHBondContact O-CG2 3.37Å; V809-V813 PolarHBondContact O-N 3.21Å; C810-V813 CarbonylContact O-C 3.49Å; C810-V813 PolarHBondContact O-N 3.41Å; E811-V813 VanDerWaalsContact C-N 3.34Å; V813-F816 CarbonylContact O-C 3.57Å; V813-F816 PolarHBondContact O-N 3.2Å; V813-V817 HydrophobicContact CG1-CG2 4.06Å; V813-V817 WeakPolarHBondContact O-CB 3.36Å; V813-V817 WeakPolarHBondContact O-CG2 3.28Å; V813-V817 PolarHBondContact O-N 3.14Å |
| 814 | E | 40.8 | Very low | 46.2 | Very low | 131 Ų | 131 | 84.5 Ų | 84.5 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 174.4 | -81.4 | 180 | 177.3 | 0 | 0 | 111.5 | C810 E811 V817 A818 | C810-E814 WeakPolarHBondContact O-CB 3.29Å; C810-E814 WeakPolarHBondContact O-CG 3.46Å; C810-E814 PolarHBondContact O-N 3.35Å; E811-E814 PolarHBondContact O-N 3.01Å; E814-V817 PolarHBondContact O-N 3.02Å; E814-A818 PolarHBondContact O-N 3.49Å |
| 815 | Q | 47.3 | Very low | 45.5 | Very low | 154 Ų | 154 | 84.9 Ų | 84.9 | 72% | 0.72 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.1 | -38.6 | 170.4 | -94.3 | -175 | -14.1 | 0 | 0 | 112.6 | E811 V817 | E811-Q815 PolarHBondContact O-N 3.13Å; Q815-V817 VanDerWaalsContact C-N 3.28Å; Q815-V817 PolarHBondContact O-N 3.49Å |
| 816 | F | 42.3 | Very low | 45.5 | Very low | 133 Ų | 133 | 89.1 Ų | 89.1 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.6 | -25.7 | 175.7 | -169.9 | -101.2 | 0 | 0 | 0 | 112.8 | S812 V813 G820 | S812-F816 WeakPolarHBondContact O-CB 3.43Å; S812-F816 PolarHBondContact O-N 3.38Å; V813-F816 CarbonylContact O-C 3.57Å; V813-F816 PolarHBondContact O-N 3.2Å; F816-G820 PolarHBondContact O-N 2.98Å |
| 817 | V | 41.3 | Very low | 45.6 | Very low | 47 Ų | 47 | 90.4 Ų | 90.4 | 29% | 0.285 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -82 | -32.5 | 178 | 154.1 | 0 | 0 | 0 | 0 | 111.7 | V813 E814 Q815 D819 G820 | V813-V817 HydrophobicContact CG1-CG2 4.06Å; V813-V817 WeakPolarHBondContact O-CB 3.36Å; V813-V817 WeakPolarHBondContact O-CG2 3.28Å; V813-V817 PolarHBondContact O-N 3.14Å; E814-V817 PolarHBondContact O-N 3.02Å; Q815-V817 VanDerWaalsContact C-N 3.28Å; Q815-V817 PolarHBondContact O-N 3.49Å; V817-D819 VanDerWaalsContact C-N 3.3Å; V817-D819 PolarHBondContact O-N 3.49Å; V817-G820 PolarHBondContact O-N 3.27Å |
| 818 | A | 46.5 | Very low | 45.1 | Very low | 73 Ų | 73 | 93.1 Ų | 93.1 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -35.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E814 | E814-A818 PolarHBondContact O-N 3.49Å |
| 819 | D | 42.4 | Very low | 44.7 | Very low | 168 Ų | 168 | 91.8 Ų | 91.8 | 90% | 0.898 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 8.5 | 177.4 | -69.5 | -31.3 | 0 | 0 | 0 | 113.2 | V817 | V817-D819 VanDerWaalsContact C-N 3.3Å; V817-D819 PolarHBondContact O-N 3.49Å |
| 820 | G | 45.6 | Very low | 44.8 | Very low | 19 Ų | 19 | 92.9 Ų | 92.9 | 20% | 0.196 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -127.3 | -177.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F816 V817 G822 A823 | F816-G820 PolarHBondContact O-N 2.98Å; V817-G820 PolarHBondContact O-N 3.27Å; G820-G822 PolarHBondContact O-N 2.83Å; G820-A823 PolarHBondContact O-N 3.01Å; G820-A823 VanDerWaalsContact O-N 3.11Å |
| 821 | P | 46.2 | Very low | 44.8 | Very low | 101 Ų | 101 | 94.9 Ų | 94.9 | 66% | 0.656 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -1.1 | -174.1 | 24.9 | -33.5 | 0 | 0 | 0 | 114.9 | A823 D824 L825 | P821-A823 PolarHBondContact O-N 3.35Å; P821-D824 PolarHBondContact O-N 3.45Å; P821-L825 PolarHBondContact O-N 3.06Å |
| 822 | G | 47.4 | Very low | 44.2 | Very low | 4 Ų | 4 | 98.1 Ų | 98.1 | 4% | 0.041 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -61.8 | -25.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G820 D824 L825 L826 | G820-G822 PolarHBondContact O-N 2.83Å; G822-D824 VanDerWaalsContact C-N 3.28Å; G822-D824 PolarHBondContact O-N 3.41Å; G822-L825 WeakPolarHBondContact O-CB 3.41Å; G822-L825 PolarHBondContact O-N 3.5Å; G822-L826 PolarHBondContact O-N 3.26Å |
| 823 | A | 45.9 | Very low | 44.2 | Very low | 61 Ų | 61 | 101.8 Ų | 101.8 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -33.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | G820 P821 K827 | G820-A823 PolarHBondContact O-N 3.01Å; G820-A823 VanDerWaalsContact O-N 3.11Å; P821-A823 PolarHBondContact O-N 3.35Å; A823-K827 PolarHBondContact O-N 3.15Å |
| 824 | D | 45.7 | Very low | 44.2 | Very low | 114 Ų | 114 | 102.1 Ų | 102.1 | 61% | 0.61 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78.4 | -30.9 | 174.6 | -86 | -17.6 | 0 | 0 | 0 | 112.2 | P821 G822 K827 K828 | P821-D824 PolarHBondContact O-N 3.45Å; G822-D824 VanDerWaalsContact C-N 3.28Å; G822-D824 PolarHBondContact O-N 3.41Å; D824-K827 PolarHBondContact O-N 3.39Å; D824-K828 PolarHBondContact O-N 3.29Å; D824-K828 VanDerWaalsContact O-N 3.1Å |
| 825 | L | 42.5 | Very low | 44.2 | Very low | 106 Ų | 106 | 100.4 Ų | 100.4 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 170.4 | -90 | 159 | 0 | 0 | 0 | 111.9 | P821 G822 K827 K828 A829 | P821-L825 PolarHBondContact O-N 3.06Å; G822-L825 WeakPolarHBondContact O-CB 3.41Å; G822-L825 PolarHBondContact O-N 3.5Å; L825-K827 VanDerWaalsContact C-N 3.3Å; L825-K827 PolarHBondContact O-N 3.03Å; L825-K828 PolarHBondContact O-N 3.07Å; L825-A829 WeakPolarHBondContact O-CB 3.5Å; L825-A829 PolarHBondContact O-N 3.41Å |
| 826 | L | 47.8 | Very low | 43.8 | Very low | 113 Ų | 113 | 99.6 Ų | 99.6 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | 173.9 | -99.5 | 157.9 | 0 | 0 | 0 | 111 | G822 K828 A829 S830 | G822-L826 PolarHBondContact O-N 3.26Å; L826-K828 VanDerWaalsContact C-N 3.33Å; L826-K828 PolarHBondContact O-N 2.92Å; L826-A829 PolarHBondContact O-N 3.14Å; L826-S830 PolarHBondContact O-N 3.23Å; L826-S830 PolarHBondContact O-OG 3.14Å |
| 827 | K | 47.9 | Very low | 43.7 | Very low | 153 Ų | 153 | 101.1 Ų | 101.1 | 67% | 0.665 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.5 | -36.7 | 176.8 | -131.8 | 175.9 | -173.6 | 175.8 | 0 | 112.9 | A823 D824 L825 I831 | A823-K827 PolarHBondContact O-N 3.15Å; D824-K827 PolarHBondContact O-N 3.39Å; L825-K827 VanDerWaalsContact C-N 3.3Å; L825-K827 PolarHBondContact O-N 3.03Å; K827-I831 WeakPolarHBondContact O-CD1 3.16Å; K827-I831 WeakPolarHBondContact O-CG1 3.37Å |
| 828 | K | 43.2 | Very low | 43.5 | Very low | 149 Ų | 149 | 105.1 Ų | 105.1 | 65% | 0.648 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -83.2 | -31.3 | 176.5 | -77.5 | -171.4 | 175.8 | -176.3 | 0 | 113.6 | D824 L825 L826 I831 W832 | D824-K828 PolarHBondContact O-N 3.29Å; D824-K828 VanDerWaalsContact O-N 3.1Å; L825-K828 PolarHBondContact O-N 3.07Å; L826-K828 VanDerWaalsContact C-N 3.33Å; L826-K828 PolarHBondContact O-N 2.92Å; K828-I831 WeakPolarHBondContact O-CB 3.46Å; K828-I831 PolarHBondContact O-N 3.44Å; K828-W832 PolarHBondContact O-N 3.26Å |
| 829 | A | 43.4 | Very low | 42.8 | Very low | 47 Ų | 47 | 108.9 Ų | 108.9 | 39% | 0.388 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.1 | -37.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | L825 L826 I831 W832 Q833 | L825-A829 WeakPolarHBondContact O-CB 3.5Å; L825-A829 PolarHBondContact O-N 3.41Å; L826-A829 PolarHBondContact O-N 3.14Å; A829-I831 PolarHBondContact O-N 3.15Å; A829-W832 CarbonylContact O-C 3.58Å; A829-W832 WeakPolarHBondContact O-CA 3.43Å; A829-W832 PolarHBondContact O-N 3.34Å; A829-Q833 PolarHBondContact O-N 3.43Å |
| 830 | S | 46.9 | Very low | 42.6 | Very low | 69 Ų | 69 | 106.3 Ų | 106.3 | 48% | 0.483 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.5 | -31 | 170.7 | -55.5 | 0 | 0 | 0 | 0 | 112.6 | L826 S834 | L826-S830 PolarHBondContact O-N 3.23Å; L826-S830 PolarHBondContact O-OG 3.14Å; S830-S834 PolarHBondContact O-N 3.18Å; S830-S834 PolarHBondContact O-OG 3Å |
| 831 | I | 45 | Very low | 42.2 | Very low | 103 Ų | 103 | 110.7 Ų | 110.7 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.7 | -35.4 | 171.2 | -62.7 | 167.1 | 0 | 0 | 0 | 110.6 | K827 K828 A829 S834 V835 | K827-I831 WeakPolarHBondContact O-CD1 3.16Å; K827-I831 WeakPolarHBondContact O-CG1 3.37Å; K828-I831 WeakPolarHBondContact O-CB 3.46Å; K828-I831 PolarHBondContact O-N 3.44Å; A829-I831 PolarHBondContact O-N 3.15Å; I831-S834 PolarHBondContact O-OG 3.14Å; I831-V835 VanDerWaalsContact O-CG2 3.29Å; I831-V835 WeakPolarHBondContact O-CG2 3.45Å; I831-V835 PolarHBondContact O-N 3.45Å |
| 832 | W | 37.1 | Very low | 41.7 | Very low | 196 Ų | 196 | 116.3 Ų | 116.3 | 74% | 0.742 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.1 | -37.7 | 177.1 | -90.7 | 65.4 | 0 | 0 | 0 | 113.6 | K828 A829 V835 N836 | K828-W832 PolarHBondContact O-N 3.26Å; A829-W832 CarbonylContact O-C 3.58Å; A829-W832 WeakPolarHBondContact O-CA 3.43Å; A829-W832 PolarHBondContact O-N 3.34Å; W832-V835 PolarHBondContact O-N 3.49Å; W832-V835 VanDerWaalsContact O-N 3.15Å; W832-N836 PolarHBondContact O-N 3.44Å |
| 833 | Q | 41.3 | Very low | 41.9 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67 | -37.7 | 176.6 | -115.7 | 173.2 | -14 | 0 | 0 | 111.5 | A829 V835 N836 E837 | A829-Q833 PolarHBondContact O-N 3.43Å; Q833-V835 PolarHBondContact O-N 3.19Å; Q833-N836 PolarHBondContact O-N 3.41Å; Q833-E837 PolarHBondContact O-N 3.24Å |
| 834 | S | 41 | Very low | 41.8 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68 | -20.5 | 172.9 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | S830 I831 | S830-S834 PolarHBondContact O-N 3.18Å; S830-S834 PolarHBondContact O-OG 3Å; I831-S834 PolarHBondContact O-OG 3.14Å |
| 835 | V | 41.2 | Very low | 41.8 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 58% | 0.576 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -82.6 | -30.8 | 172.4 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | I831 W832 Q833 | I831-V835 VanDerWaalsContact O-CG2 3.29Å; I831-V835 WeakPolarHBondContact O-CG2 3.45Å; I831-V835 PolarHBondContact O-N 3.45Å; W832-V835 PolarHBondContact O-N 3.49Å; W832-V835 VanDerWaalsContact O-N 3.15Å; Q833-V835 PolarHBondContact O-N 3.19Å |
| 836 | N | 39.7 | Very low | 42.2 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 73% | 0.733 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80 | -21.2 | -177.4 | -149.9 | 34.3 | 0 | 0 | 0 | 114 | W832 Q833 N838 | W832-N836 PolarHBondContact O-N 3.44Å; Q833-N836 PolarHBondContact O-N 3.41Å; N836-N838 VanDerWaalsContact C-N 3.28Å; N836-N838 PolarHBondContact O-N 3.04Å |
| 837 | E | 39.2 | Very low | 42.4 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -12.9 | 177.3 | -74 | -176.9 | 172 | 0 | 0 | 113.9 | Q833 | Q833-E837 PolarHBondContact O-N 3.24Š|
| 838 | N | 37.1 | Very low | 42.6 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 70% | 0.701 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 13.7 | -171.8 | -79.2 | -36.3 | 0 | 0 | 0 | 116.6 | N836 | N836-N838 VanDerWaalsContact C-N 3.28Å; N836-N838 PolarHBondContact O-N 3.04Å |
| 839 | H | 31.4 | Very low | 43.3 | Very low | 152 Ų | 152 | 118 Ų | 118 | 70% | 0.704 | 61% | 0.607 | S | S | * | * | trans | -116.9 | 88.7 | 171.2 | -83.2 | -70.5 | 0 | 0 | 0 | 112.5 | D841 | H839-D841 PolarHBondContact O-N 2.97Š| ||
| 840 | S | 39.7 | Very low | 44.4 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 80% | 0.797 | 61% | 0.614 | S | S | * | * | trans | -69.8 | 54.2 | 170.7 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 841 | D | 36.1 | Very low | 44.9 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 59% | 0.594 | 61% | 0.607 | S | S | * | * | trans | -110.7 | 68.3 | 173.1 | -91.5 | -45.9 | 0 | 0 | 0 | 111.4 | H839 N843 | H839-D841 PolarHBondContact O-N 2.97Å; D841-N843 PolarHBondContact O-N 2.85Å; D841-N843 PolarHBondContact OD1-ND2 3.02Å | ||
| 842 | Y | 36.8 | Very low | 45.6 | Very low | 218 Ų | 218 | 121.3 Ų | 121.3 | 86% | 0.855 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 33.3 | 162.8 | -87.2 | -85.6 | 0 | 0 | 0 | 112.8 | ||
| 843 | N | 50.7 | Low | 47.2 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -83.4 | -12.6 | -179 | -81.8 | -39.2 | 0 | 0 | 0 | 113.6 | D841 H847 | D841-N843 PolarHBondContact O-N 2.85Å; D841-N843 PolarHBondContact OD1-ND2 3.02Å; N843-H847 PolarHBondContact O-N 3.31Å |
| 844 | L | 44.5 | Very low | 48.5 | Very low | 126 Ų | 126 | 116 Ų | 116 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.6 | -39.6 | -179.1 | -155 | 80.6 | 0 | 0 | 0 | 112.6 | F596 T848 | F596-L844 HydrophobicContact CZ-CD1 3.98Å; L844-T848 PolarHBondContact O-OG1 3.27Å |
| 845 | F | 45.9 | Very low | 49.2 | Very low | 165 Ų | 165 | 114.2 Ų | 114.2 | 72% | 0.724 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -77.9 | -35.5 | 179.7 | -146.5 | -91.1 | 0 | 0 | 0 | 111.5 | T848 T849 | F845-T848 PolarHBondContact O-N 3.42Å; F845-T849 WeakPolarHBondContact O-CB 3.2Å; F845-T849 PolarHBondContact O-N 2.95Å; F845-T849 PolarHBondContact O-OG1 3.12Å |
| 846 | D | 50.4 | Low | 50.2 | Low | 65 Ų | 65 | 113 Ų | 113 | 35% | 0.348 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.4 | -37.4 | 180 | -166 | 47.6 | 0 | 0 | 0 | 112.2 | T849 K850 | D846-T849 PolarHBondContact O-N 2.9Å; D846-K850 WeakPolarHBondContact O-CB 3.37Å; D846-K850 WeakPolarHBondContact O-CG 3.4Å; D846-K850 PolarHBondContact O-N 3.43Å; D846-K850 WeakPolarHBondContact OD2-CE 3.4Å; D846-K850 IonicContact OD2-NZ 3.17Å; D846-K850 PolarHBondContact OD2-NZ 3.34Å |
| 847 | H | 52.6 | Low | 51.8 | Low | 143 Ų | 143 | 109.9 Ų | 109.9 | 66% | 0.662 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.4 | -43.4 | 177.2 | -149 | 66.3 | 0 | 0 | 0 | 112.2 | N843 T849 K850 M851 | N843-H847 PolarHBondContact O-N 3.31Å; H847-T849 VanDerWaalsContact C-N 3.35Å; H847-K850 PolarHBondContact O-N 3.05Å; H847-M851 WeakPolarHBondContact O-CB 3.49Å; H847-M851 PolarHBondContact O-N 3.22Å |
| 848 | T | 51.9 | Low | 53 | Low | 70 Ų | 70 | 106.1 Ų | 106.1 | 43% | 0.429 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.4 | -41.3 | 0 | 0 | 0 | 0 | 110.9 | L844 F845 M851 I852 | L844-T848 PolarHBondContact O-OG1 3.27Å; F845-T848 PolarHBondContact O-N 3.42Å; T848-M851 PolarHBondContact O-N 3.09Å; T848-I852 WeakPolarHBondContact O-CG1 3.2Å; T848-I852 PolarHBondContact O-N 2.72Å; T848-I852 VanDerWaalsContact O-N 3.09Å |
| 849 | T | 58.3 | Low | 54.2 | Low | 69 Ų | 69 | 102.7 Ų | 102.7 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | F845 D846 H847 M851 I852 H853 | F845-T849 WeakPolarHBondContact O-CB 3.2Å; F845-T849 PolarHBondContact O-N 2.95Å; F845-T849 PolarHBondContact O-OG1 3.12Å; D846-T849 PolarHBondContact O-N 2.9Å; H847-T849 VanDerWaalsContact C-N 3.35Å; T849-M851 VanDerWaalsContact C-N 3.3Å; T849-M851 PolarHBondContact O-N 3.03Å; T849-I852 PolarHBondContact O-N 3.16Å; T849-H853 WeakPolarHBondContact O-CB 3.29Å; T849-H853 PolarHBondContact O-N 3.39Å |
| 850 | K | 65.1 | Low | 55.8 | Low | 123 Ų | 123 | 102.3 Ų | 102.3 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 174.6 | -79.7 | 171.9 | 175.2 | 160.3 | 0 | 112.3 | D846 H847 H853 N854 | D846-K850 WeakPolarHBondContact O-CB 3.37Å; D846-K850 WeakPolarHBondContact O-CG 3.4Å; D846-K850 PolarHBondContact O-N 3.43Å; D846-K850 WeakPolarHBondContact OD2-CE 3.4Å; D846-K850 IonicContact OD2-NZ 3.17Å; D846-K850 PolarHBondContact OD2-NZ 3.34Å; H847-K850 PolarHBondContact O-N 3.05Å; K850-H853 PolarHBondContact O-N 3Å; K850-N854 PolarHBondContact O-N 3.21Å |
| 851 | M | 58.5 | Low | 57.3 | Low | 67 Ų | 67 | 100.5 Ų | 100.5 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 178.4 | -159.1 | 176.2 | -174.6 | 0 | 0 | 111.9 | K592 H847 T848 T849 M855 | K592-M851 HydrophobicContact CB-CE 4.34Å; K592-M851 HydrophobicContact CD-CE 3.83Å; H847-M851 WeakPolarHBondContact O-CB 3.49Å; H847-M851 PolarHBondContact O-N 3.22Å; T848-M851 PolarHBondContact O-N 3.09Å; T849-M851 VanDerWaalsContact C-N 3.3Å; T849-M851 PolarHBondContact O-N 3.03Å; M851-M855 PolarHBondContact O-N 3.26Å |
| 852 | I | 58.8 | Low | 58.6 | Low | 97 Ų | 97 | 97.3 Ų | 97.3 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.2 | -66.5 | 169.4 | 0 | 0 | 0 | 110.8 | T848 T849 N854 M855 S856 | T848-I852 WeakPolarHBondContact O-CG1 3.2Å; T848-I852 PolarHBondContact O-N 2.72Å; T848-I852 VanDerWaalsContact O-N 3.09Å; T849-I852 PolarHBondContact O-N 3.16Å; I852-N854 PolarHBondContact O-N 3.06Å; I852-M855 PolarHBondContact O-N 3.45Å; I852-S856 PolarHBondContact O-N 3.16Å |
| 853 | H | 71.3 | Confident | 60 | Low | 116 Ų | 116 | 91.4 Ų | 91.4 | 54% | 0.537 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | -179.6 | -165 | 71 | 0 | 0 | 0 | 112.3 | T849 K850 M855 S856 N857 | T849-H853 WeakPolarHBondContact O-CB 3.29Å; T849-H853 PolarHBondContact O-N 3.39Å; K850-H853 PolarHBondContact O-N 3Å; H853-M855 VanDerWaalsContact C-N 3.33Å; H853-M855 PolarHBondContact O-N 3.27Å; H853-S856 PolarHBondContact O-N 2.97Å; H853-N857 PolarHBondContact CD2-ND2 3.29Å; H853-N857 PolarHBondContact NE2-ND2 3.04Å; H853-N857 PolarHBondContact O-N 3.25Å; H853-N857 VanDerWaalsContact O-N 3.1Å; H853-N857 PolarHBondContact O-ND2 3.17Å |
| 854 | N | 68.4 | Low | 61.1 | Low | 104 Ų | 104 | 92 Ų | 92 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.8 | -37.2 | 174.2 | -94.8 | -7.6 | 0 | 0 | 0 | 112.8 | K850 I852 N857 N858 | K850-N854 PolarHBondContact O-N 3.21Å; I852-N854 PolarHBondContact O-N 3.06Å; N854-N857 PolarHBondContact O-N 3.04Å; N854-N858 WeakPolarHBondContact O-CB 3.45Å; N854-N858 VanDerWaalsContact O-CG 3.24Å; N854-N858 PolarHBondContact O-N 3.24Å; N854-N858 PolarHBondContact O-ND2 3.33Å |
| 855 | M | 56.3 | Low | 62.3 | Low | 31 Ų | 31 | 89.5 Ų | 89.5 | 15% | 0.153 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 175.3 | -83.2 | 179.9 | 56.8 | 0 | 0 | 112.8 | V585 M589 M851 I852 H853 N857 N858 L859 | V585-M855 HydrophobicContact CG1-CE 4.48Å; V585-M855 HydrophobicContact CG1-CG 4.06Å; M589-M855 HydrophobicContact CB-SD 4.06Å; M589-M855 HydrophobicContact CE-SD 4.16Å; M589-M855 HydrophobicContact CG-SD 3.86Å; M589-M855 HydrophobicContact SD-CE 3.52Å; M589-M855 VanDerWaalsContact SD-CE 3.52Å; M589-M855 HydrophobicContact SD-SD 3.36Å; M851-M855 PolarHBondContact O-N 3.26Å; I852-M855 PolarHBondContact O-N 3.45Å; H853-M855 VanDerWaalsContact C-N 3.33Å; H853-M855 PolarHBondContact O-N 3.27Å; M855-N857 VanDerWaalsContact C-N 3.29Å; M855-N857 PolarHBondContact O-N 3.47Å; M855-N858 PolarHBondContact O-N 2.95Å; M855-L859 PolarHBondContact O-N 3.35Å |
| 856 | S | 62.2 | Low | 63.5 | Low | 70 Ų | 70 | 82.3 Ų | 82.3 | 49% | 0.49 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 175.6 | -168.9 | 0 | 0 | 0 | 0 | 110.8 | I852 H853 L859 F860 | I852-S856 PolarHBondContact O-N 3.16Å; H853-S856 PolarHBondContact O-N 2.97Å; S856-L859 PolarHBondContact O-N 3.49Å; S856-F860 WeakPolarHBondContact O-CB 3.14Å; S856-F860 PolarHBondContact O-N 2.68Å |
| 857 | N | 72.2 | Confident | 64.5 | Low | 71 Ų | 71 | 83 Ų | 83 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 178.6 | -69.5 | -19.5 | 0 | 0 | 0 | 112.9 | H853 N854 M855 F860 T861 | H853-N857 PolarHBondContact CD2-ND2 3.29Å; H853-N857 PolarHBondContact NE2-ND2 3.04Å; H853-N857 PolarHBondContact O-N 3.25Å; H853-N857 VanDerWaalsContact O-N 3.1Å; H853-N857 PolarHBondContact O-ND2 3.17Å; N854-N857 PolarHBondContact O-N 3.04Å; M855-N857 VanDerWaalsContact C-N 3.29Å; M855-N857 PolarHBondContact O-N 3.47Å; N857-F860 PolarHBondContact O-N 2.97Å; N857-T861 PolarHBondContact O-N 3.33Å; N857-T861 PolarHBondContact O-OG1 2.92Å |
| 858 | N | 65 | Low | 65.5 | Low | 86 Ų | 86 | 84.3 Ų | 84.3 | 46% | 0.46 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.3 | -36.5 | 177.4 | -73.4 | -16 | 0 | 0 | 0 | 113 | N854 M855 T861 S862 | N854-N858 WeakPolarHBondContact O-CB 3.45Å; N854-N858 VanDerWaalsContact O-CG 3.24Å; N854-N858 PolarHBondContact O-N 3.24Å; N854-N858 PolarHBondContact O-ND2 3.33Å; M855-N858 PolarHBondContact O-N 2.95Å; N858-T861 VanDerWaalsContact CA-OG1 3.32Å; N858-T861 WeakPolarHBondContact CA-OG1 3.37Å; N858-T861 PolarHBondContact O-OG1 2.97Å; N858-T861 VanDerWaalsContact O-OG1 3.09Å; N858-S862 WeakPolarHBondContact O-CB 3.46Å; N858-S862 PolarHBondContact O-N 3.47Å; N858-S862 VanDerWaalsContact O-N 3.14Å; N858-S862 PolarHBondContact O-OG 3.43Å |
| 859 | L | 62.8 | Low | 66.6 | Low | 60 Ų | 60 | 82.1 Ų | 82.1 | 31% | 0.314 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 173 | -82.6 | 161.4 | 0 | 0 | 0 | 110.9 | A582 M855 S856 S862 L863 | A582-L859 HydrophobicContact CB-CD2 3.59Å; M855-L859 PolarHBondContact O-N 3.35Å; S856-L859 PolarHBondContact O-N 3.49Å; L859-S862 PolarHBondContact O-N 2.73Å; L859-L863 WeakPolarHBondContact O-CG 3.47Å; L859-L863 PolarHBondContact O-N 3.42Å |
| 860 | F | 65.2 | Low | 67.2 | Low | 143 Ų | 143 | 83.7 Ų | 83.7 | 63% | 0.627 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 179.1 | -163.4 | -95.8 | 0 | 0 | 0 | 112.1 | S856 N857 S862 L863 | S856-F860 WeakPolarHBondContact O-CB 3.14Å; S856-F860 PolarHBondContact O-N 2.68Å; N857-F860 PolarHBondContact O-N 2.97Å; F860-S862 PolarHBondContact O-N 2.89Å; F860-L863 PolarHBondContact O-N 2.94Å |
| 861 | T | 70.2 | Confident | 67.6 | Low | 77 Ų | 77 | 82.8 Ų | 82.8 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 175.7 | 38.4 | 0 | 0 | 0 | 0 | 112.9 | N857 N858 L863 Q864 | N857-T861 PolarHBondContact O-N 3.33Å; N857-T861 PolarHBondContact O-OG1 2.92Å; N858-T861 VanDerWaalsContact CA-OG1 3.32Å; N858-T861 WeakPolarHBondContact CA-OG1 3.37Å; N858-T861 PolarHBondContact O-OG1 2.97Å; N858-T861 VanDerWaalsContact O-OG1 3.09Å; T861-L863 PolarHBondContact O-N 3.48Å; T861-Q864 PolarHBondContact O-N 3.34Å |
| 862 | S | 63.8 | Low | 68.4 | Low | 44 Ų | 44 | 81.6 Ų | 81.6 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.4 | -18.9 | 177.8 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | S578 N858 L859 F860 | S578-S862 WeakPolarHBondContact CB-O 3.48Å; S578-S862 PolarHBondContact OG-O 3.27Å; N858-S862 WeakPolarHBondContact O-CB 3.46Å; N858-S862 PolarHBondContact O-N 3.47Å; N858-S862 VanDerWaalsContact O-N 3.14Å; N858-S862 PolarHBondContact O-OG 3.43Å; L859-S862 PolarHBondContact O-N 2.73Å; F860-S862 PolarHBondContact O-N 2.89Å |
| 863 | L | 65.7 | Low | 69.1 | Low | 94 Ų | 94 | 78.9 Ų | 78.9 | 49% | 0.492 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -93.3 | -13.7 | -179.8 | -71.3 | 169.5 | 0 | 0 | 0 | 113.8 | L859 F860 T861 E865 P866 T867 | L859-L863 WeakPolarHBondContact O-CG 3.47Å; L859-L863 PolarHBondContact O-N 3.42Å; F860-L863 PolarHBondContact O-N 2.94Å; T861-L863 PolarHBondContact O-N 3.48Å; L863-E865 PolarHBondContact O-N 3.39Å; L863-P866 WeakPolarHBondContact O-CD 3.39Å; L863-T867 PolarHBondContact O-N 3.08Å; L863-T867 PolarHBondContact O-OG1 3.4Å |
| 864 | Q | 74.3 | Confident | 69 | Low | 112 Ų | 112 | 79.9 Ų | 79.9 | 52% | 0.523 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | -175.8 | -75.2 | -175.4 | -26.7 | 0 | 0 | 113.8 | T861 T867 R868 | T861-Q864 PolarHBondContact O-N 3.34Å; Q864-T867 PolarHBondContact O-N 3.34Å; Q864-R868 WeakPolarHBondContact O-CB 3.36Å; Q864-R868 PolarHBondContact O-N 3.26Å |
| 865 | E | 69.2 | Low | 69.4 | Low | 73 Ų | 73 | 76.4 Ų | 76.4 | 34% | 0.341 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.2 | -47.4 | -177.7 | -89.7 | -68.3 | 131.6 | 0 | 0 | 113.2 | K574 L863 T867 R868 I869 | K574-E865 HydrophobicContact CD-CB 4.37Å; K574-E865 IonicContact NZ-OE2 2.72Å; K574-E865 PolarHBondContact NZ-OE2 3.2Å; L863-E865 PolarHBondContact O-N 3.39Å; E865-T867 VanDerWaalsContact C-N 3.33Å; E865-T867 PolarHBondContact O-N 3.02Å; E865-R868 PolarHBondContact O-N 3.22Å; E865-R868 IonicContact OE1-NH1 3.53Å; E865-R868 PolarHBondContact OE1-NH1 3.04Å; E865-I869 WeakPolarHBondContact O-CG1 3.23Å; E865-I869 PolarHBondContact O-N 3.35Å; E865-I869 VanDerWaalsContact O-N 3.09Å |
| 866 | P | 70.9 | Confident | 70.3 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55.2 | -44.7 | 171 | -27.1 | 33 | 0 | 0 | 0 | 113.5 | L571 V575 L863 R868 I869 L870 | L571-P866 HydrophobicContact CD1-CB 4.24Å; L571-P866 WeakPolarHBondContact CD1-O 3.08Å; V575-P866 HydrophobicContact CG2-CB 3.85Å; V575-P866 HydrophobicContact CG2-CG 4.24Å; L863-P866 WeakPolarHBondContact O-CD 3.39Å; P866-R868 VanDerWaalsContact C-N 3.32Å; P866-R868 PolarHBondContact O-N 2.99Å; P866-I869 PolarHBondContact O-N 3.47Å; P866-L870 PolarHBondContact O-N 3.03Å; P866-L870 VanDerWaalsContact O-N 3.1Å |
| 867 | T | 71.4 | Confident | 70.6 | Confident | 78 Ų | 78 | 73.8 Ų | 73.8 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 179.1 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | L863 Q864 E865 L870 L871 | L863-T867 PolarHBondContact O-N 3.08Å; L863-T867 PolarHBondContact O-OG1 3.4Å; Q864-T867 PolarHBondContact O-N 3.34Å; E865-T867 VanDerWaalsContact C-N 3.33Å; E865-T867 PolarHBondContact O-N 3.02Å; T867-L870 PolarHBondContact O-N 3.42Å; T867-L871 HydrophobicContact CG2-CD1 4.17Å; T867-L871 WeakPolarHBondContact O-CG 3.4Å; T867-L871 PolarHBondContact O-N 3.4Å |
| 868 | R | 74.7 | Confident | 70.6 | Confident | 171 Ų | 171 | 73.5 Ų | 73.5 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 176.7 | 179.7 | -172.8 | 155.4 | -177.1 | -0.8 | 112.3 | Q864 E865 P866 L870 L871 G872 | Q864-R868 WeakPolarHBondContact O-CB 3.36Å; Q864-R868 PolarHBondContact O-N 3.26Å; E865-R868 PolarHBondContact O-N 3.22Å; E865-R868 IonicContact OE1-NH1 3.53Å; E865-R868 PolarHBondContact OE1-NH1 3.04Å; P866-R868 VanDerWaalsContact C-N 3.32Å; P866-R868 PolarHBondContact O-N 2.99Å; R868-L870 VanDerWaalsContact C-N 3.3Å; R868-L870 PolarHBondContact O-N 3.5Å; R868-L871 PolarHBondContact O-N 3.04Å; R868-G872 PolarHBondContact O-N 3.31Å |
| 869 | I | 73.7 | Confident | 71.2 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 177.3 | -64.4 | 167.3 | 0 | 0 | 0 | 110.2 | D570 L571 K574 E865 P866 G872 L873 | D570-I869 WeakPolarHBondContact OD2-CD1 3.48Å; L571-I869 HydrophobicContact CB-CG2 3.9Å; L571-I869 HydrophobicContact CD1-CB 4.07Å; L571-I869 HydrophobicContact CD1-CG2 4.11Å; K574-I869 HydrophobicContact CB-CD1 4.4Å; K574-I869 HydrophobicContact CD-CD1 3.7Å; K574-I869 HydrophobicContact CG-CD1 4.1Å; E865-I869 WeakPolarHBondContact O-CG1 3.23Å; E865-I869 PolarHBondContact O-N 3.35Å; E865-I869 VanDerWaalsContact O-N 3.09Å; P866-I869 PolarHBondContact O-N 3.47Å; I869-G872 PolarHBondContact O-N 3.18Å; I869-L873 HydrophobicContact CG2-CD1 4.39Å; I869-L873 PolarHBondContact O-N 3.41Å |
| 870 | L | 71.7 | Confident | 71.7 | Confident | 101 Ų | 101 | 76.9 Ų | 76.9 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | -179.8 | -154.7 | 127.1 | 0 | 0 | 0 | 112.3 | L571 P866 T867 R868 G872 L873 E874 | L571-L870 HydrophobicContact CD2-CD1 3.99Å; P866-L870 PolarHBondContact O-N 3.03Å; P866-L870 VanDerWaalsContact O-N 3.1Å; T867-L870 PolarHBondContact O-N 3.42Å; R868-L870 VanDerWaalsContact C-N 3.3Å; R868-L870 PolarHBondContact O-N 3.5Å; L870-G872 VanDerWaalsContact C-N 3.34Å; L870-G872 PolarHBondContact O-N 3.37Å; L870-L873 PolarHBondContact O-N 3.27Å; L870-E874 PolarHBondContact O-N 3.34Å |
| 871 | L | 74.5 | Confident | 72 | Confident | 104 Ų | 104 | 73.9 Ų | 73.9 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.4 | -34.6 | 175.1 | -71.2 | 169.3 | 0 | 0 | 0 | 112.5 | T867 R868 E874 G875 | T867-L871 HydrophobicContact CG2-CD1 4.17Å; T867-L871 WeakPolarHBondContact O-CG 3.4Å; T867-L871 PolarHBondContact O-N 3.4Å; R868-L871 PolarHBondContact O-N 3.04Å; L871-E874 PolarHBondContact O-N 2.84Å; L871-G875 PolarHBondContact O-N 3Å; L871-G875 VanDerWaalsContact O-N 3.15Å |
| 872 | G | 74.7 | Confident | 72.3 | Confident | 42 Ų | 42 | 75 Ų | 75 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R868 I869 L870 E874 A876 | R868-G872 PolarHBondContact O-N 3.31Å; I869-G872 PolarHBondContact O-N 3.18Å; L870-G872 VanDerWaalsContact C-N 3.34Å; L870-G872 PolarHBondContact O-N 3.37Å; G872-E874 VanDerWaalsContact C-N 3.33Å; G872-A876 WeakPolarHBondContact O-CB 3.22Å; G872-A876 PolarHBondContact O-N 2.62Å |
| 873 | L | 73.7 | Confident | 72.9 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 21% | 0.209 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 174.5 | -88.9 | 162 | 0 | 0 | 0 | 112.1 | I869 L870 G877 | I869-L873 HydrophobicContact CG2-CD1 4.39Å; I869-L873 PolarHBondContact O-N 3.41Å; L870-L873 PolarHBondContact O-N 3.27Å; L873-G877 PolarHBondContact O-N 3.46Å |
| 874 | E | 69.2 | Low | 73.6 | Confident | 137 Ų | 137 | 74.7 Ų | 74.7 | 64% | 0.64 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.5 | -44.5 | -180 | -158.9 | 173.2 | -162.7 | 0 | 0 | 111.6 | L870 L871 G872 G877 S878 | L870-E874 PolarHBondContact O-N 3.34Å; L871-E874 PolarHBondContact O-N 2.84Å; G872-E874 VanDerWaalsContact C-N 3.33Å; E874-G877 PolarHBondContact O-N 3.48Å; E874-S878 PolarHBondContact O-N 2.98Å |
| 875 | G | 75.6 | Confident | 73.7 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | L871 G877 S878 D879 | L871-G875 PolarHBondContact O-N 3Å; L871-G875 VanDerWaalsContact O-N 3.15Å; G875-G877 PolarHBondContact O-N 3.13Å; G875-S878 PolarHBondContact O-N 3.42Å; G875-S878 PolarHBondContact O-OG 3.06Å; G875-D879 PolarHBondContact O-N 3.31Å |
| 876 | A | 75 | Confident | 74.2 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 14% | 0.14 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.8 | -31.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | F563 G872 R880 | F563-A876 HydrophobicContact CE1-CB 3.65Å; F563-A876 HydrophobicContact CZ-CB 4.1Å; G872-A876 WeakPolarHBondContact O-CB 3.22Å; G872-A876 PolarHBondContact O-N 2.62Å; A876-R880 PolarHBondContact O-N 2.97Å |
| 877 | G | 69.5 | Low | 74.5 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L873 E874 G875 S881 | L873-G877 PolarHBondContact O-N 3.46Å; E874-G877 PolarHBondContact O-N 3.48Å; G875-G877 PolarHBondContact O-N 3.13Å; G877-S881 PolarHBondContact O-N 3.44Å |
| 878 | S | 73.1 | Confident | 74.7 | Confident | 64 Ų | 64 | 79.3 Ų | 79.3 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68 | -43.1 | 179.4 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | E874 G875 S881 | E874-S878 PolarHBondContact O-N 2.98Å; G875-S878 PolarHBondContact O-N 3.42Å; G875-S878 PolarHBondContact O-OG 3.06Å; S878-S881 PolarHBondContact O-N 2.9Å |
| 879 | D | 76.1 | Confident | 74.7 | Confident | 100 Ų | 100 | 78.1 Ų | 78.1 | 54% | 0.535 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.4 | -44.3 | -174.6 | -67.1 | -9.8 | 0 | 0 | 0 | 111.6 | G875 S881 I882 E883 | G875-D879 PolarHBondContact O-N 3.31Å; D879-S881 VanDerWaalsContact C-N 3.3Å; D879-S881 PolarHBondContact O-N 3.49Å; D879-I882 PolarHBondContact O-N 3.21Å; D879-E883 PolarHBondContact O-N 3.37Å |
| 880 | R | 73.2 | Confident | 74.8 | Confident | 118 Ų | 118 | 79.4 Ų | 79.4 | 45% | 0.445 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 177.9 | -106.6 | 70.6 | 175.3 | -172.6 | -0.1 | 112.8 | F560 A876 I882 E883 F884 | F560-R880 HydrophobicContact CD2-CB 4.04Å; F560-R880 HydrophobicContact CD2-CG 3.68Å; F560-R880 HydrophobicContact CE2-CB 3.99Å; F560-R880 HydrophobicContact CE2-CG 4.09Å; F560-R880 HydrophobicContact CG-CB 4.49Å; F560-R880 HydrophobicContact CG-CG 4.16Å; F560-R880 HydrophobicContact CZ-CB 4.42Å; A876-R880 PolarHBondContact O-N 2.97Å; R880-I882 PolarHBondContact O-N 2.93Å; R880-E883 PolarHBondContact O-N 3.06Å; R880-F884 HydrophobicContact CB-CD2 4.46Å; R880-F884 HydrophobicContact CB-CE2 3.95Å; R880-F884 HydrophobicContact CB-CZ 4.23Å; R880-F884 HydrophobicContact CG-CE2 4.16Å; R880-F884 HydrophobicContact CG-CZ 3.93Å; R880-F884 WeakPolarHBondContact O-CD2 3.18Å; R880-F884 WeakPolarHBondContact O-CG 3.2Å; R880-F884 PolarHBondContact O-N 3.47Å |
| 881 | S | 71.9 | Confident | 75.1 | Confident | 79 Ų | 79 | 75.3 Ų | 75.3 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.6 | -34.4 | 178.7 | -175 | 0 | 0 | 0 | 0 | 112.3 | G877 S878 D879 S885 | G877-S881 PolarHBondContact O-N 3.44Å; S878-S881 PolarHBondContact O-N 2.9Å; D879-S881 VanDerWaalsContact C-N 3.3Å; D879-S881 PolarHBondContact O-N 3.49Å; S881-S885 PolarHBondContact O-N 3.5Å |
| 882 | I | 76.7 | Confident | 74.9 | Confident | 102 Ų | 102 | 72.1 Ų | 72.1 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -74.1 | -48.4 | 179.5 | -62.5 | 170.8 | 0 | 0 | 0 | 110 | D879 R880 F884 S885 E886 | D879-I882 PolarHBondContact O-N 3.21Å; R880-I882 PolarHBondContact O-N 2.93Å; I882-F884 VanDerWaalsContact C-N 3.29Å; I882-F884 PolarHBondContact O-N 3.07Å; I882-S885 WeakPolarHBondContact O-CB 3.36Å; I882-S885 PolarHBondContact O-N 3.37Å; I882-S885 VanDerWaalsContact O-N 3.08Å; I882-E886 PolarHBondContact O-N 3.49Å |
| 883 | E | 76.1 | Confident | 74.9 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 46% | 0.458 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.6 | -41.5 | 177.3 | -79.4 | -174.3 | 154.8 | 0 | 0 | 112.6 | D879 R880 E886 S887 | D879-E883 PolarHBondContact O-N 3.37Å; R880-E883 PolarHBondContact O-N 3.06Å; E883-E886 PolarHBondContact O-N 3.19Å; E883-S887 WeakPolarHBondContact O-CB 3.46Å; E883-S887 PolarHBondContact O-N 3.22Å; E883-S887 PolarHBondContact O-OG 3.18Å |
| 884 | F | 80.8 | Confident | 74.7 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 14% | 0.14 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 177.2 | -65.1 | -29.9 | 0 | 0 | 0 | 111.6 | L553 Q556 V557 F560 R880 I882 E886 S887 F888 | L553-F884 HydrophobicContact CD1-CD1 3.84Å; Q556-F884 HydrophobicContact CB-CE1 3.97Å; V557-F884 HydrophobicContact CB-CZ 4.46Å; V557-F884 HydrophobicContact CG2-CD1 4.15Å; V557-F884 HydrophobicContact CG2-CE1 3.82Å; V557-F884 HydrophobicContact CG2-CE2 4.21Å; V557-F884 HydrophobicContact CG2-CG 4.49Å; V557-F884 HydrophobicContact CG2-CZ 3.86Å; F560-F884 HydrophobicContact CB-CZ 4.19Å; F560-F884 HydrophobicContact CD1-CE2 4.38Å; R880-F884 HydrophobicContact CB-CD2 4.46Å; R880-F884 HydrophobicContact CB-CE2 3.95Å; R880-F884 HydrophobicContact CB-CZ 4.23Å; R880-F884 HydrophobicContact CG-CE2 4.16Å; R880-F884 HydrophobicContact CG-CZ 3.93Å; R880-F884 WeakPolarHBondContact O-CD2 3.18Å; R880-F884 WeakPolarHBondContact O-CG 3.2Å; R880-F884 PolarHBondContact O-N 3.47Å; I882-F884 VanDerWaalsContact C-N 3.29Å; I882-F884 PolarHBondContact O-N 3.07Å; F884-E886 PolarHBondContact O-N 3.33Å; F884-S887 PolarHBondContact O-N 3.11Å; F884-F888 WeakPolarHBondContact O-CD2 3.38Å; F884-F888 PolarHBondContact O-N 2.96Å |
| 885 | S | 76.4 | Confident | 74.7 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 178.9 | -170.3 | 0 | 0 | 0 | 0 | 112.4 | S881 I882 F888 Q889 | S881-S885 PolarHBondContact O-N 3.5Å; I882-S885 WeakPolarHBondContact O-CB 3.36Å; I882-S885 PolarHBondContact O-N 3.37Å; I882-S885 VanDerWaalsContact O-N 3.08Å; S885-F888 PolarHBondContact O-N 3.19Å; S885-Q889 PolarHBondContact O-N 3.45Å |
| 886 | E | 79.3 | Confident | 74.4 | Confident | 125 Ų | 125 | 81.4 Ų | 81.4 | 58% | 0.584 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.4 | -43 | 177.9 | -69.3 | -177 | 165.4 | 0 | 0 | 111.8 | I882 E883 F884 F888 Q889 A890 | I882-E886 PolarHBondContact O-N 3.49Å; E883-E886 PolarHBondContact O-N 3.19Å; F884-E886 PolarHBondContact O-N 3.33Å; E886-F888 VanDerWaalsContact C-N 3.34Å; E886-F888 PolarHBondContact O-N 3.44Å; E886-Q889 PolarHBondContact O-N 3.08Å; E886-A890 PolarHBondContact O-N 3.33Å; E886-A890 VanDerWaalsContact O-N 3.08Å |
| 887 | S | 77.2 | Confident | 74.1 | Confident | 41 Ų | 41 | 83.1 Ų | 83.1 | 29% | 0.287 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 112 | E883 F884 Q889 A890 I891 | E883-S887 WeakPolarHBondContact O-CB 3.46Å; E883-S887 PolarHBondContact O-N 3.22Å; E883-S887 PolarHBondContact O-OG 3.18Å; F884-S887 PolarHBondContact O-N 3.11Å; S887-Q889 VanDerWaalsContact C-N 3.33Å; S887-Q889 PolarHBondContact O-N 3.5Å; S887-A890 PolarHBondContact O-N 3.45Å; S887-I891 WeakPolarHBondContact O-CG1 3.46Å; S887-I891 PolarHBondContact O-N 2.85Å |
| 888 | F | 75.2 | Confident | 74.1 | Confident | 134 Ų | 134 | 83 Ų | 83 | 59% | 0.588 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 175 | -91.4 | -68.6 | 0 | 0 | 0 | 112.5 | L553 F884 S885 E886 G892 | L553-F888 HydrophobicContact CD2-CD1 4.24Å; L553-F888 HydrophobicContact CD2-CD2 4.11Å; L553-F888 HydrophobicContact CD2-CE1 3.99Å; L553-F888 HydrophobicContact CD2-CE2 3.84Å; L553-F888 HydrophobicContact CD2-CG 4.29Å; L553-F888 HydrophobicContact CD2-CZ 3.77Å; F884-F888 WeakPolarHBondContact O-CD2 3.38Å; F884-F888 PolarHBondContact O-N 2.96Å; S885-F888 PolarHBondContact O-N 3.19Å; E886-F888 VanDerWaalsContact C-N 3.34Å; E886-F888 PolarHBondContact O-N 3.44Å; F888-G892 PolarHBondContact O-N 2.98Å |
| 889 | Q | 76.4 | Confident | 73.7 | Confident | 145 Ų | 145 | 84 Ų | 84 | 68% | 0.678 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70 | -39.2 | -177.7 | -155.5 | 173.5 | 8.9 | 0 | 0 | 112 | S885 E886 S887 G892 T893 | S885-Q889 PolarHBondContact O-N 3.45Å; E886-Q889 PolarHBondContact O-N 3.08Å; S887-Q889 VanDerWaalsContact C-N 3.33Å; S887-Q889 PolarHBondContact O-N 3.5Å; Q889-G892 PolarHBondContact O-N 3.31Å; Q889-T893 PolarHBondContact O-N 2.78Å |
| 890 | A | 75.5 | Confident | 73.1 | Confident | 53 Ų | 53 | 84.9 Ų | 84.9 | 44% | 0.438 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E886 S887 G892 T893 N894 | E886-A890 PolarHBondContact O-N 3.33Å; E886-A890 VanDerWaalsContact O-N 3.08Å; S887-A890 PolarHBondContact O-N 3.45Å; A890-G892 VanDerWaalsContact C-N 3.33Å; A890-T893 PolarHBondContact O-OG1 2.95Å; A890-N894 PolarHBondContact O-N 3.39Å; A890-N894 PolarHBondContact O-ND2 3.03Å |
| 891 | I | 76.9 | Confident | 72.9 | Confident | 15 Ų | 15 | 82.7 Ų | 82.7 | 8% | 0.077 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 175.3 | -67.6 | 167.9 | 0 | 0 | 0 | 110.5 | V546 D549 L550 L553 S887 T893 N894 L895 | V546-I891 HydrophobicContact CG1-CG2 4.27Å; D549-I891 HydrophobicContact CB-CD1 4.22Å; D549-I891 HydrophobicContact CB-CG1 4.1Å; L550-I891 HydrophobicContact CD2-CD1 4.03Å; L550-I891 HydrophobicContact CD2-CG2 4.3Å; L550-I891 HydrophobicContact CG-CD1 4.21Å; L550-I891 HydrophobicContact CG-CG2 4.29Å; L553-I891 HydrophobicContact CD2-CD1 4.17Å; S887-I891 WeakPolarHBondContact O-CG1 3.46Å; S887-I891 PolarHBondContact O-N 2.85Å; I891-T893 PolarHBondContact O-N 3.43Å; I891-N894 PolarHBondContact O-N 2.88Å; I891-L895 HydrophobicContact CG2-CD1 4.08Å; I891-L895 PolarHBondContact O-N 3.26Å |
| 892 | G | 71 | Confident | 72.5 | Confident | 37 Ų | 37 | 82.5 Ų | 82.5 | 38% | 0.381 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F888 Q889 A890 | F888-G892 PolarHBondContact O-N 2.98Å; Q889-G892 PolarHBondContact O-N 3.31Å; A890-G892 VanDerWaalsContact C-N 3.33Å |
| 893 | T | 73.5 | Confident | 71.6 | Confident | 93 Ų | 93 | 83.9 Ų | 83.9 | 57% | 0.571 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.5 | -39.5 | 179.9 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | Q889 A890 I891 L895 F896 | Q889-T893 PolarHBondContact O-N 2.78Å; A890-T893 PolarHBondContact O-OG1 2.95Å; I891-T893 PolarHBondContact O-N 3.43Å; T893-L895 PolarHBondContact O-N 3.46Å; T893-F896 PolarHBondContact O-N 3.47Å |
| 894 | N | 69.6 | Low | 71 | Confident | 87 Ų | 87 | 85.3 Ų | 85.3 | 47% | 0.465 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 179.4 | -75.4 | -26.2 | 0 | 0 | 0 | 113 | V546 A890 I891 F896 | V546-N894 HydrophobicContact CG2-CB 4.37Å; A890-N894 PolarHBondContact O-N 3.39Å; A890-N894 PolarHBondContact O-ND2 3.03Å; I891-N894 PolarHBondContact O-N 2.88Å; N894-F896 VanDerWaalsContact C-N 3.29Å; N894-F896 PolarHBondContact O-N 3.24Å |
| 895 | L | 70.7 | Confident | 70.3 | Confident | 86 Ų | 86 | 87 Ų | 87 | 45% | 0.45 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.9 | -28.9 | 178.4 | -86.8 | 158 | 0 | 0 | 0 | 113.2 | V546 I891 T893 A897 | V546-L895 HydrophobicContact CG1-CD1 4.19Å; V546-L895 HydrophobicContact CG1-CD2 4.36Å; V546-L895 HydrophobicContact CG1-CG 4.1Å; I891-L895 HydrophobicContact CG2-CD1 4.08Å; I891-L895 PolarHBondContact O-N 3.26Å; T893-L895 PolarHBondContact O-N 3.46Å; L895-A897 PolarHBondContact O-N 3.26Å |
| 896 | F | 68.2 | Low | 69.7 | Low | 179 Ų | 179 | 88.2 Ų | 88.2 | 79% | 0.785 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -75.3 | -20.5 | -173 | -126 | -84.6 | 0 | 0 | 0 | 114.3 | T893 N894 | T893-F896 PolarHBondContact O-N 3.47Å; N894-F896 VanDerWaalsContact C-N 3.29Å; N894-F896 PolarHBondContact O-N 3.24Å |
| 897 | A | 68.6 | Low | 68.7 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -86.2 | -23.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L895 | L895-A897 PolarHBondContact O-N 3.26Å |
| 898 | I | 70.8 | Confident | 67.5 | Low | 27 Ų | 27 | 97.9 Ų | 97.9 | 14% | 0.138 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -60.9 | -41.3 | -169.1 | -61.4 | 174.2 | 0 | 0 | 0 | 114.2 | W538 L543 N900 E901 M902 | W538-I898 HydrophobicContact CH2-CG2 4.3Å; L543-I898 HydrophobicContact CD2-CD1 4.07Å; I898-N900 PolarHBondContact O-N 3.39Å; I898-E901 PolarHBondContact O-N 2.89Å; I898-M902 PolarHBondContact O-N 3.42Å |
| 899 | P | 64.1 | Low | 66.6 | Low | 84 Ų | 84 | 99.9 Ų | 99.9 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | -175.7 | -24.1 | 35.2 | 0 | 0 | 0 | 114.3 | M902 | P899-M902 PolarHBondContact O-N 2.85Å |
| 900 | N | 63.8 | Low | 65.5 | Low | 119 Ų | 119 | 101.2 Ų | 101.2 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.6 | -29.7 | -177.2 | -75.6 | -16.1 | 0 | 0 | 0 | 113 | I898 | I898-N900 PolarHBondContact O-N 3.39Å |
| 901 | E | 67.7 | Low | 64.5 | Low | 73 Ų | 73 | 104.8 Ų | 104.8 | 34% | 0.341 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.2 | -35.3 | 177.4 | -69.5 | -172.2 | 168.8 | 0 | 0 | 111.6 | W538 R542 I898 N904 | W538-E901 HydrophobicContact CH2-CB 4.24Å; W538-E901 HydrophobicContact CZ2-CB 3.75Å; R542-E901 IonicContact CZ-OE2 3.42Å; R542-E901 IonicContact NE-OE2 2.77Å; R542-E901 PolarHBondContact NE-OE2 2.73Å; R542-E901 IonicContact NH2-OE1 3.35Å; R542-E901 PolarHBondContact NH2-OE1 3.23Å; R542-E901 IonicContact NH2-OE2 2.75Å; R542-E901 PolarHBondContact NH2-OE2 3.1Å; R542-E901 VanDerWaalsContact NH2-OE2 3.12Å; I898-E901 PolarHBondContact O-N 2.89Å; E901-N904 PolarHBondContact O-N 3.39Å |
| 902 | M | 64.9 | Low | 63.2 | Low | 75 Ų | 75 | 110.8 Ų | 110.8 | 37% | 0.369 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67 | -37.2 | -176.5 | -170.7 | 175.4 | 176.3 | 0 | 0 | 112.9 | L534 W538 I898 P899 N904 I905 | L534-M902 HydrophobicContact CD2-CE 4.43Å; W538-M902 HydrophobicContact CH2-CB 4.15Å; W538-M902 HydrophobicContact CZ3-CB 4.34Å; W538-M902 HydrophobicContact CZ3-CG 4.49Å; I898-M902 PolarHBondContact O-N 3.42Å; P899-M902 PolarHBondContact O-N 2.85Å; M902-N904 VanDerWaalsContact C-N 3.34Å; M902-N904 PolarHBondContact O-N 2.89Å; M902-I905 PolarHBondContact O-N 2.75Å |
| 903 | E | 57.9 | Low | 62.1 | Low | 131 Ų | 131 | 112.8 Ų | 112.8 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.9 | -34.1 | -178.7 | -167.6 | 174.4 | -175.8 | 0 | 0 | 112.8 | I905 | E903-I905 PolarHBondContact O-N 3.21Å |
| 904 | N | 63.8 | Low | 60.7 | Low | 127 Ų | 127 | 113.8 Ų | 113.8 | 68% | 0.679 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.6 | -27.7 | 179.5 | -82.4 | -41.8 | 0 | 0 | 0 | 113.8 | E901 M902 | E901-N904 PolarHBondContact O-N 3.39Å; M902-N904 VanDerWaalsContact C-N 3.34Å; M902-N904 PolarHBondContact O-N 2.89Å |
| 905 | I | 65.8 | Low | 59.8 | Low | 69 Ų | 69 | 114.7 Ų | 114.7 | 35% | 0.354 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -79 | -34.8 | -174.1 | -62.1 | 169.8 | 0 | 0 | 0 | 111.5 | L534 W538 M902 E903 N907 | L534-I905 HydrophobicContact CD1-CB 4.06Å; L534-I905 HydrophobicContact CD1-CD1 4.28Å; L534-I905 HydrophobicContact CD1-CG2 3.39Å; W538-I905 HydrophobicContact CD2-CD1 4.26Å; W538-I905 HydrophobicContact CG-CD1 4.49Å; W538-I905 HydrophobicContact CZ2-CD1 4.3Å; M902-I905 PolarHBondContact O-N 2.75Å; E903-I905 PolarHBondContact O-N 3.21Å; I905-N907 VanDerWaalsContact C-N 3.3Å; I905-N907 PolarHBondContact O-N 3.03Å |
| 906 | L | 63.9 | Low | 59 | Low | 100 Ų | 100 | 115 Ų | 115 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.6 | -26.3 | -174.1 | -70.5 | 167.7 | 0 | 0 | 0 | 113.5 | R908 | L906-R908 PolarHBondContact O-N 3.11Å |
| 907 | N | 56.6 | Low | 58.2 | Low | 139 Ų | 139 | 110.1 Ų | 110.1 | 74% | 0.743 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -1.3 | -171.6 | -81.3 | -29.4 | 0 | 0 | 0 | 116.6 | I905 | I905-N907 VanDerWaalsContact C-N 3.3Å; I905-N907 PolarHBondContact O-N 3.03Å |
| 908 | R | 53.8 | Low | 57.2 | Low | 229 Ų | 229 | 114.3 Ų | 114.3 | 86% | 0.864 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 4.2 | -169.1 | -82.7 | -171.5 | 176 | -172.4 | 0.6 | 118.8 | L906 | L906-R908 PolarHBondContact O-N 3.11Š|
| 909 | R | 55.6 | Low | 56.5 | Low | 177 Ų | 177 | 116.4 Ų | 116.4 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | trans | -143.5 | 38.6 | -161.3 | -83.4 | -169.6 | 174 | 171.3 | -0.9 | 121.5 | ||||
| 910 | Y | 53.9 | Low | 56 | Low | 172 Ų | 172 | 115.8 Ų | 115.8 | 68% | 0.675 | 60% | 0.597 | S | S | * | * | trans | -109.9 | 138 | 177.5 | -122.7 | -89.8 | 0 | 0 | 0 | 115.3 | ||||
| 911 | H | 53.3 | Low | 55.4 | Low | 129 Ų | 129 | 119.1 Ų | 119.1 | 60% | 0.597 | 61% | 0.608 | S | S | * | * | trans | -137.2 | 158 | 179.2 | -74.6 | -13.3 | 0 | 0 | 0 | 114.4 | N527 | N527-H911 PolarHBondContact ND2-O 3Å; N527-H911 VanDerWaalsContact ND2-O 3.16Å | ||
| 912 | T | 49.5 | Very low | 54.6 | Low | 141 Ų | 141 | 120.9 Ų | 120.9 | 87% | 0.865 | 63% | 0.629 | S | S | * | * | trans | -127.6 | 151.7 | -161.3 | -27.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 913 | Y | 48.6 | Very low | 54 | Low | 79 Ų | 79 | 124.4 Ų | 124.4 | 31% | 0.31 | 64% | 0.638 | S | S | . | * | trans | -84.8 | 154.1 | -166 | -174.7 | -106.3 | 0 | 0 | 0 | 118.1 | L520 L523 P915 | L520-Y913 HydrophobicContact CB-CE2 4.41Å; L520-Y913 HydrophobicContact CD1-CD1 3.77Å; L520-Y913 HydrophobicContact CD1-CD2 3.66Å; L520-Y913 HydrophobicContact CD1-CE1 4.02Å; L520-Y913 HydrophobicContact CD1-CE2 3.92Å; L520-Y913 HydrophobicContact CD1-CG 3.59Å; L523-Y913 HydrophobicContact CB-CD2 4.47Å; L523-Y913 VanDerWaalsContact CD2-CB 3.41Å; L523-Y913 HydrophobicContact CD2-CD2 3.84Å; L523-Y913 HydrophobicContact CD2-CG 4.1Å; Y913-P915 HydrophobicContact CE1-CB 4.44Å | ||
| 914 | V | 44.7 | Very low | 53.7 | Low | 114 Ų | 114 | 127.8 Ų | 127.8 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | trans | -138.5 | 139.6 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 915 | P | 50.5 | Low | 53.4 | Low | 106 Ų | 106 | 126 Ų | 126 | 69% | 0.688 | 64% | 0.637 | S | S | * | * | trans | -97.5 | 160.7 | -166 | -1 | 23.5 | 0 | 0 | 0 | 117.9 | Y913 | Y913-P915 HydrophobicContact CE1-CB 4.44Š| ||
| 916 | T | 52.7 | Low | 52.8 | Low | 91 Ų | 91 | 128.1 Ų | 128.1 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | trans | -133.8 | -12.4 | -165.5 | 44.3 | 0 | 0 | 0 | 0 | 121.1 | R519 | R519-T916 PolarHBondContact NH1-OG1 3.36Š| ||
| 917 | G | 51 | Low | 52.9 | Low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 65% | 0.652 | S | S | * | * | trans | 96.3 | 4.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 918 | E | 48.2 | Very low | 53.1 | Low | 142 Ų | 142 | 124.2 Ų | 124.2 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | trans | -102.1 | 47.2 | -173.4 | -62.7 | 175 | 139.5 | 0 | 0 | 115.8 | R519 | R519-E918 IonicContact CZ-OE2 3.73Å; R519-E918 IonicContact NH1-OE2 3.56Å; R519-E918 IonicContact NH2-OE2 2.9Å; R519-E918 PolarHBondContact NH2-OE2 3.2Å | ||
| 919 | T | 56.2 | Low | 53.7 | Low | 70 Ų | 70 | 118.7 Ų | 118.7 | 43% | 0.429 | 63% | 0.625 | S | S | . | * | trans | -95.2 | 123.7 | -173.2 | -50.2 | 0 | 0 | 0 | 0 | 113.7 | L513 | L513-T919 HydrophobicContact CD1-CG2 4.13Š| ||
| 920 | P | 53.1 | Low | 54.2 | Low | 72 Ų | 72 | 118.4 Ų | 118.4 | 47% | 0.468 | 63% | 0.631 | S | S | . | * | trans | -76 | 163.7 | 178.8 | 17.6 | -15 | 0 | 0 | 0 | 115.2 | ||||
| 921 | Q | 51.8 | Low | 55.1 | Low | 188 Ų | 188 | 114.7 Ų | 114.7 | 88% | 0.879 | 62% | 0.619 | S | S | * | * | trans | -105.2 | 153.4 | -167.1 | -64.4 | -174.6 | -10.3 | 0 | 0 | 114.7 | ||||
| 922 | S | 50.8 | Low | 56 | Low | 110 Ų | 110 | 109 Ų | 109 | 77% | 0.769 | 59% | 0.594 | S | S | * | * | trans | -77.5 | 145.1 | -166.9 | 178.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 923 | R | 53.1 | Low | 57.3 | Low | 150 Ų | 150 | 110.4 Ų | 110.4 | 57% | 0.566 | 59% | 0.588 | S | S | * | * | trans | -152.6 | 162.4 | 172.3 | 60 | 178.3 | 176.6 | 177.1 | -2.5 | 112.1 | D509 F925 | D509-R923 VanDerWaalsContact CG-NH2 3.25Å; D509-R923 IonicContact OD1-CZ 3.94Å; D509-R923 IonicContact OD1-NE 3.85Å; D509-R923 IonicContact OD1-NH2 3.01Å; D509-R923 PolarHBondContact OD1-NH2 3.5Å; D509-R923 IonicContact OD2-CZ 3.38Å; D509-R923 VanDerWaalsContact OD2-CZ 3.24Å; D509-R923 IonicContact OD2-NE 3.29Å; D509-R923 PolarHBondContact OD2-NE 3.47Å; D509-R923 IonicContact OD2-NH2 3.37Å; D509-R923 PolarHBondContact OD2-NH2 3.3Å; R923-F925 HydrophobicContact CG-CE2 4.34Å; R923-F925 HydrophobicContact CG-CZ 4.29Å | ||
| 924 | K | 51.3 | Low | 58.9 | Low | 202 Ų | 202 | 108.4 Ų | 108.4 | 88% | 0.878 | 58% | 0.584 | S | S | * | * | trans | -107.7 | 142 | -174.2 | -72.1 | -173.3 | 175.8 | -173.6 | 0 | 114.4 | ||||
| 925 | F | 57.4 | Low | 60.5 | Low | 88 Ų | 88 | 105.1 Ų | 105.1 | 39% | 0.386 | 57% | 0.569 | S | S | . | * | trans | -117.4 | 158.6 | 179.6 | -61.9 | -81.9 | 0 | 0 | 0 | 113 | A506 R923 | A506-F925 HydrophobicContact CB-CE2 4.3Å; R923-F925 HydrophobicContact CG-CE2 4.34Å; R923-F925 HydrophobicContact CG-CZ 4.29Å | ||
| 926 | S | 51.9 | Low | 61.9 | Low | 114 Ų | 114 | 103.4 Ų | 103.4 | 80% | 0.797 | 56% | 0.558 | S | S | * | * | trans | -123.1 | 131 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 927 | Y | 68 | Low | 63.2 | Low | 105 Ų | 105 | 103.6 Ų | 103.6 | 41% | 0.412 | 55% | 0.549 | S | S | . | . | trans | -157.4 | 159.4 | -174 | 56.4 | -91.8 | 0 | 0 | 0 | 111.9 | L499 T929 | L499-Y927 HydrophobicContact CD1-CD2 4.13Å; L499-Y927 HydrophobicContact CD1-CG 4.45Å; Y927-T929 HydrophobicContact CD2-CG2 4.45Å; Y927-T929 HydrophobicContact CE2-CG2 4.19Å | ||
| 928 | P | 59.3 | Low | 64.4 | Low | 52 Ų | 52 | 106.6 Ų | 106.6 | 34% | 0.338 | 54% | 0.542 | S | S | . | . | trans | -70.5 | 133.5 | -180 | 21.9 | -26.1 | 0 | 0 | 0 | 113 | ||||
| 929 | T | 66.3 | Low | 65.8 | Low | 113 Ų | 113 | 108 Ų | 108 | 69% | 0.693 | 54% | 0.541 | S | S | * | . | trans | -107.6 | -11.1 | -169.4 | 48.2 | 0 | 0 | 0 | 0 | 115.8 | Y927 | Y927-T929 HydrophobicContact CD2-CG2 4.45Å; Y927-T929 HydrophobicContact CE2-CG2 4.19Å | ||
| 930 | E | 65.8 | Low | 67 | Low | 172 Ų | 172 | 105 Ų | 105 | 80% | 0.804 | 52% | 0.523 | S | S | * | . | trans | -114.4 | 115.5 | 177.5 | -73.6 | -169.3 | 169.6 | 0 | 0 | 112.1 | Q495 | Q495-E930 PolarHBondContact NE2-O 2.76Š| ||
| 931 | F | 73 | Confident | 68.2 | Low | 94 Ų | 94 | 102.7 Ų | 102.7 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | trans | -99.5 | 145.2 | -176.6 | -62.7 | -74.9 | 0 | 0 | 0 | 113.2 | Q495 L499 K933 | Q495-F931 HydrophobicContact CB-CD1 4.15Å; Q495-F931 HydrophobicContact CB-CE1 4.32Å; L499-F931 HydrophobicContact CD1-CZ 4.14Å; F931-K933 PolarHBondContact O-N 2.96Å | ||
| 932 | A | 73.8 | Confident | 69.3 | Low | 8 Ų | 8 | 101 Ų | 101 | 7% | 0.066 | 50% | 0.496 | C | S | . | . | trans | -54.6 | 124.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T488 R491 L492 | T488-A932 HydrophobicContact CG2-CB 4.1Å; R491-A932 HydrophobicContact CB-CB 4.18Å; R491-A932 HydrophobicContact CG-CB 3.96Å; L492-A932 HydrophobicContact CD1-CB 4.34Å; L492-A932 WeakPolarHBondContact CD1-O 3.22Å; L492-A932 HydrophobicContact CG-CB 4.35Å | ||
| 933 | K | 76.8 | Confident | 70.4 | Confident | 171 Ų | 171 | 101 Ų | 101 | 74% | 0.743 | 48% | 0.484 | S | S | * | . | trans | -124.2 | 135.7 | 172.3 | -67.7 | -176.6 | -178.8 | -178.9 | 0 | 111.3 | F931 | F931-K933 PolarHBondContact O-N 2.96Š| ||
| 934 | T | 81.5 | Confident | 71.5 | Confident | 37 Ų | 37 | 95.8 Ų | 95.8 | 23% | 0.227 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 138.8 | 169.7 | -51.1 | 0 | 0 | 0 | 0 | 108.4 | H485 T488 I940 | H485-T934 PolarHBondContact ND1-OG1 3.29Å; T488-T934 WeakPolarHBondContact CB-OG1 3.35Å; T488-T934 WeakPolarHBondContact CG2-OG1 3.38Å; T488-T934 PolarHBondContact OG1-OG1 2.92Å; T934-I940 HydrophobicContact CG2-CD1 3.68Å |
| 935 | A | 77.6 | Confident | 72.6 | Confident | 46 Ų | 46 | 92.1 Ų | 92.1 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 155.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I940 | A935-I940 HydrophobicContact CB-CD1 4.23Å; A935-I940 HydrophobicContact CB-CG1 3.96Å; A935-I940 WeakPolarHBondContact O-CD1 3.47Å |
| 936 | P | 81.3 | Confident | 73.1 | Confident | 70 Ų | 70 | 91.9 Ų | 91.9 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 140.6 | 177.8 | -24.7 | 33.9 | 0 | 0 | 0 | 112.4 | H938 R939 I940 | P936-H938 VanDerWaalsContact C-N 3.28Å; P936-H938 WeakPolarHBondContact CB-CE1 3.29Å; P936-H938 PolarHBondContact O-N 2.86Å; P936-R939 WeakPolarHBondContact O-CA 3.27Å; P936-R939 WeakPolarHBondContact O-CB 3.21Å; P936-R939 PolarHBondContact O-N 3.01Å; P936-I940 PolarHBondContact O-N 2.84Å |
| 937 | Y | 79.4 | Confident | 73.6 | Confident | 95 Ų | 95 | 92 Ų | 92 | 37% | 0.373 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.6 | -39.4 | -172.2 | -70.5 | 2.5 | 0 | 0 | 0 | 113.4 | L481 H485 R939 I940 L941 | L481-Y937 HydrophobicContact CD1-CD2 4.34Å; L481-Y937 HydrophobicContact CD1-CG 4.47Å; L481-Y937 HydrophobicContact CD2-CD1 3.73Å; L481-Y937 HydrophobicContact CD2-CD2 4.45Å; L481-Y937 HydrophobicContact CD2-CE1 4.26Å; L481-Y937 HydrophobicContact CD2-CG 3.85Å; H485-Y937 AromaticContact CE1-CE1 3.67Å; H485-Y937 AromaticContact NE2-CE1 3.13Å; H485-Y937 WeakPolarHBondContact NE2-CE1 3.48Å; H485-Y937 AromaticContact NE2-CZ 3.33Å; H485-Y937 VanDerWaalsContact NE2-CZ 3.33Å; H485-Y937 PolarHBondContact NE2-OH 3.49Å; Y937-R939 PolarHBondContact O-N 3.26Å; Y937-I940 PolarHBondContact O-N 2.75Å; Y937-L941 VanDerWaalsContact O-CB 3.31Å; Y937-L941 WeakPolarHBondContact O-CB 3.24Å; Y937-L941 VanDerWaalsContact O-CG 3.29Å; Y937-L941 WeakPolarHBondContact O-CG 3.37Å; Y937-L941 PolarHBondContact O-N 3.42Å |
| 938 | H | 76.8 | Confident | 73.1 | Confident | 139 Ų | 139 | 91.8 Ų | 91.8 | 64% | 0.644 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.1 | -31.1 | 177.6 | 69.6 | -94.7 | 0 | 0 | 0 | 112.2 | P936 K942 | P936-H938 VanDerWaalsContact C-N 3.28Å; P936-H938 WeakPolarHBondContact CB-CE1 3.29Å; P936-H938 PolarHBondContact O-N 2.86Å; H938-K942 WeakPolarHBondContact O-CB 3.42Å; H938-K942 PolarHBondContact O-N 2.68Å |
| 939 | R | 77.8 | Confident | 72.5 | Confident | 171 Ų | 171 | 94 Ų | 94 | 65% | 0.645 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -77.8 | -43.8 | 179.9 | -157.6 | 177.1 | -176.4 | 170.2 | 1.3 | 110.8 | P936 Y937 K942 E943 | P936-R939 WeakPolarHBondContact O-CA 3.27Å; P936-R939 WeakPolarHBondContact O-CB 3.21Å; P936-R939 PolarHBondContact O-N 3.01Å; Y937-R939 PolarHBondContact O-N 3.26Å; R939-K942 PolarHBondContact O-N 3.41Å; R939-E943 WeakPolarHBondContact O-CB 3.17Å; R939-E943 PolarHBondContact O-N 3.32Å |
| 940 | I | 79.8 | Confident | 71.8 | Confident | 9 Ų | 9 | 94.7 Ų | 94.7 | 5% | 0.046 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 174.4 | -61.9 | 177.1 | 0 | 0 | 0 | 110.6 | Y480 L481 E484 T934 A935 P936 Y937 E943 Y944 | Y480-I940 HydrophobicContact CD1-CG2 3.85Å; Y480-I940 HydrophobicContact CE1-CG2 3.57Å; L481-I940 HydrophobicContact CD2-CB 4.27Å; L481-I940 HydrophobicContact CD2-CD1 4.34Å; L481-I940 HydrophobicContact CD2-CG2 4.05Å; E484-I940 HydrophobicContact CB-CD1 4.36Å; E484-I940 HydrophobicContact CG-CG2 4.14Å; T934-I940 HydrophobicContact CG2-CD1 3.68Å; A935-I940 HydrophobicContact CB-CD1 4.23Å; A935-I940 HydrophobicContact CB-CG1 3.96Å; A935-I940 WeakPolarHBondContact O-CD1 3.47Å; P936-I940 PolarHBondContact O-N 2.84Å; Y937-I940 PolarHBondContact O-N 2.75Å; I940-E943 PolarHBondContact O-N 3.45Å; I940-Y944 WeakPolarHBondContact O-CB 3.24Å; I940-Y944 PolarHBondContact O-N 3.19Å |
| 941 | L | 78.2 | Confident | 70.9 | Confident | 22 Ų | 22 | 93.9 Ų | 93.9 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -68.9 | -34.2 | 178.2 | -69.8 | 175.2 | 0 | 0 | 0 | 112.1 | E477 L481 Y937 E943 Y944 R945 | E477-L941 HydrophobicContact CB-CD2 3.83Å; E477-L941 HydrophobicContact CG-CD2 3.96Å; L481-L941 HydrophobicContact CD1-CD1 4.35Å; L481-L941 HydrophobicContact CD1-CD2 4.2Å; L481-L941 HydrophobicContact CD1-CG 4.38Å; L481-L941 HydrophobicContact CG-CD2 4.24Å; Y937-L941 VanDerWaalsContact O-CB 3.31Å; Y937-L941 WeakPolarHBondContact O-CB 3.24Å; Y937-L941 VanDerWaalsContact O-CG 3.29Å; Y937-L941 WeakPolarHBondContact O-CG 3.37Å; Y937-L941 PolarHBondContact O-N 3.42Å; L941-E943 VanDerWaalsContact C-N 3.33Å; L941-Y944 PolarHBondContact O-N 3.2Å; L941-R945 WeakPolarHBondContact O-CB 3.29Å; L941-R945 VanDerWaalsContact O-CD 3.29Å; L941-R945 WeakPolarHBondContact O-CD 3.37Å; L941-R945 WeakPolarHBondContact O-CG 3.02Å; L941-R945 PolarHBondContact O-N 3.14Å |
| 942 | K | 75.4 | Confident | 69.9 | Low | 153 Ų | 153 | 93.1 Ų | 93.1 | 67% | 0.665 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 173.4 | -175.7 | 177.1 | -177.1 | 179.5 | 0 | 110.8 | H938 R939 R945 S946 | H938-K942 WeakPolarHBondContact O-CB 3.42Å; H938-K942 PolarHBondContact O-N 2.68Å; R939-K942 PolarHBondContact O-N 3.41Å; K942-R945 PolarHBondContact O-N 3.18Å; K942-S946 WeakPolarHBondContact O-CB 3.21Å; K942-S946 PolarHBondContact O-N 3.46Å; K942-S946 PolarHBondContact O-OG 3.28Å; K942-S946 VanDerWaalsContact O-OG 3.08Å |
| 943 | E | 74.6 | Confident | 68.7 | Low | 111 Ų | 111 | 97.5 Ų | 97.5 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 177.1 | -165.2 | 170.9 | -176 | 0 | 0 | 112.2 | R939 I940 L941 R945 S946 N947 | R939-E943 WeakPolarHBondContact O-CB 3.17Å; R939-E943 PolarHBondContact O-N 3.32Å; I940-E943 PolarHBondContact O-N 3.45Å; L941-E943 VanDerWaalsContact C-N 3.33Å; E943-R945 VanDerWaalsContact C-N 3.31Å; E943-R945 PolarHBondContact O-N 3.45Å; E943-S946 VanDerWaalsContact CA-OG 3.28Å; E943-S946 WeakPolarHBondContact CA-OG 3.46Å; E943-S946 PolarHBondContact O-N 2.96Å; E943-S946 PolarHBondContact O-OG 2.71Å; E943-N947 WeakPolarHBondContact O-CB 3.44Å; E943-N947 PolarHBondContact O-N 3.29Å; E943-N947 VanDerWaalsContact O-N 3.08Å |
| 944 | Y | 76.2 | Confident | 67.2 | Low | 40 Ų | 40 | 94.1 Ų | 94.1 | 16% | 0.157 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 172.4 | -178.2 | -113.2 | 0 | 0 | 0 | 112.1 | E477 Y480 I940 L941 R948 | E477-Y944 HydrophobicContact CG-CE1 4.32Å; Y480-Y944 AromaticContact CD1-CD2 3.63Å; Y480-Y944 HydrophobicContact CD1-CD2 3.63Å; Y480-Y944 HydrophobicContact CD1-CE2 4.37Å; Y480-Y944 AromaticContact CD1-CG 3.82Å; Y480-Y944 HydrophobicContact CD1-CG 3.82Å; Y480-Y944 AromaticContact CD2-CD2 3.47Å; Y480-Y944 HydrophobicContact CD2-CD2 3.47Å; Y480-Y944 VanDerWaalsContact CD2-CD2 3.47Å; Y480-Y944 AromaticContact CD2-CE2 3.63Å; Y480-Y944 HydrophobicContact CD2-CE2 3.63Å; Y480-Y944 HydrophobicContact CD2-CG 4.45Å; Y480-Y944 AromaticContact CE1-CD2 3.84Å; Y480-Y944 HydrophobicContact CE1-CD2 3.84Å; Y480-Y944 HydrophobicContact CE1-CG 4.08Å; Y480-Y944 AromaticContact CE2-CD2 3.68Å; Y480-Y944 HydrophobicContact CE2-CD2 3.68Å; Y480-Y944 HydrophobicContact CE2-CE2 4.17Å; Y480-Y944 AromaticContact CG-CD2 3.43Å; Y480-Y944 HydrophobicContact CG-CD2 3.43Å; Y480-Y944 VanDerWaalsContact CG-CD2 3.43Å; Y480-Y944 AromaticContact CG-CE2 3.73Å; Y480-Y944 HydrophobicContact CG-CE2 3.73Å; Y480-Y944 HydrophobicContact CG-CG 4.01Å; Y480-Y944 AromaticContact CZ-CD2 3.86Å; I940-Y944 WeakPolarHBondContact O-CB 3.24Å; I940-Y944 PolarHBondContact O-N 3.19Å; L941-Y944 PolarHBondContact O-N 3.2Å; Y944-R948 PolarHBondContact OH-NH2 2.86Å |
| 945 | R | 73.8 | Confident | 65.5 | Low | 125 Ų | 125 | 99.2 Ų | 99.2 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72 | -32.7 | 178.4 | -71.3 | 165.7 | -176.4 | 172.9 | 3 | 112.4 | E477 L941 K942 E943 | E477-R945 IonicContact OE1-CZ 3.14Å; E477-R945 IonicContact OE1-NE 2.75Å; E477-R945 PolarHBondContact OE1-NE 3.32Å; E477-R945 VanDerWaalsContact OE1-NE 3.16Å; E477-R945 IonicContact OE1-NH2 3.92Å; E477-R945 PolarHBondContact OE1-NH2 3.49Å; E477-R945 IonicContact OE2-NH2 2.86Å; E477-R945 PolarHBondContact OE2-NH2 3.15Å; L941-R945 WeakPolarHBondContact O-CB 3.29Å; L941-R945 VanDerWaalsContact O-CD 3.29Å; L941-R945 WeakPolarHBondContact O-CD 3.37Å; L941-R945 WeakPolarHBondContact O-CG 3.02Å; L941-R945 PolarHBondContact O-N 3.14Å; K942-R945 PolarHBondContact O-N 3.18Å; E943-R945 VanDerWaalsContact C-N 3.31Å; E943-R945 PolarHBondContact O-N 3.45Å |
| 946 | S | 67.7 | Low | 63.9 | Low | 82 Ų | 82 | 103.3 Ų | 103.3 | 57% | 0.573 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -77.6 | -22.9 | 179 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | K942 E943 | K942-S946 WeakPolarHBondContact O-CB 3.21Å; K942-S946 PolarHBondContact O-N 3.46Å; K942-S946 PolarHBondContact O-OG 3.28Å; K942-S946 VanDerWaalsContact O-OG 3.08Å; E943-S946 VanDerWaalsContact CA-OG 3.28Å; E943-S946 WeakPolarHBondContact CA-OG 3.46Å; E943-S946 PolarHBondContact O-N 2.96Å; E943-S946 PolarHBondContact O-OG 2.71Å |
| 947 | N | 63.8 | Low | 61.9 | Low | 116 Ų | 116 | 103.3 Ų | 103.3 | 62% | 0.62 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1.7 | -179.1 | -74.8 | -10.8 | 0 | 0 | 0 | 114.3 | E943 | E943-N947 WeakPolarHBondContact O-CB 3.44Å; E943-N947 PolarHBondContact O-N 3.29Å; E943-N947 VanDerWaalsContact O-N 3.08Å |
| 948 | R | 56 | Low | 59.8 | Low | 101 Ų | 101 | 104.5 Ų | 104.5 | 38% | 0.381 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -84.3 | 124.4 | 173.1 | -75.9 | -163.5 | 171.6 | -176.5 | -1.9 | 110.9 | E476 Y944 | E476-R948 IonicContact OE2-CZ 3.5Å; E476-R948 IonicContact OE2-NH1 3.63Å; E476-R948 PolarHBondContact OE2-NH1 3.26Å; E476-R948 IonicContact OE2-NH2 3.93Å; E476-R948 PolarHBondContact OE2-NH2 3.5Å; Y944-R948 PolarHBondContact OH-NH2 2.86Å |
| 949 | T | 47.6 | Very low | 57.9 | Low | 100 Ų | 100 | 103.4 Ų | 103.4 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | trans | -64 | 148.9 | 177.4 | 25.7 | 0 | 0 | 0 | 0 | 112 | E951 D952 | T949-E951 PolarHBondContact O-N 3.37Å; T949-D952 PolarHBondContact O-N 3.05Å | ||
| 950 | I | 50.3 | Low | 55.9 | Low | 127 Ų | 127 | 101.1 Ų | 101.1 | 65% | 0.651 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -54.1 | -23.2 | -175.4 | -66.4 | 169 | 0 | 0 | 0 | 113.3 | D952 I953 N954 | I950-D952 VanDerWaalsContact C-N 3.3Å; I950-D952 PolarHBondContact O-N 3Å; I950-I953 PolarHBondContact O-N 2.97Å; I950-N954 PolarHBondContact O-N 3.43Å |
| 951 | E | 47.4 | Very low | 53.8 | Low | 155 Ų | 155 | 107.4 Ų | 107.4 | 72% | 0.724 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.5 | -30.1 | 173.7 | -78.6 | -176.8 | 150.1 | 0 | 0 | 113.9 | T949 I953 | T949-E951 PolarHBondContact O-N 3.37Å; E951-I953 VanDerWaalsContact C-N 3.32Å |
| 952 | D | 52.1 | Low | 51.7 | Low | 78 Ų | 78 | 111.6 Ų | 111.6 | 42% | 0.417 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.8 | -24.4 | 175.7 | -75.3 | -26.4 | 0 | 0 | 0 | 112.4 | T949 I950 | T949-D952 PolarHBondContact O-N 3.05Å; I950-D952 VanDerWaalsContact C-N 3.3Å; I950-D952 PolarHBondContact O-N 3Å |
| 953 | I | 48.9 | Very low | 49.9 | Very low | 100 Ų | 100 | 112 Ų | 112 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -80.1 | -33.9 | -179.4 | -61 | 176.7 | 0 | 0 | 0 | 110.7 | I950 E951 N955 L956 A957 | I950-I953 PolarHBondContact O-N 2.97Å; E951-I953 VanDerWaalsContact C-N 3.32Å; I953-N955 PolarHBondContact O-N 3.38Å; I953-L956 PolarHBondContact O-N 3.05Å; I953-L956 VanDerWaalsContact O-N 3.12Å; I953-A957 PolarHBondContact O-N 2.67Å |
| 954 | N | 45 | Very low | 47.9 | Very low | 100 Ų | 100 | 115 Ų | 115 | 54% | 0.535 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.5 | -29.3 | -177.8 | -78.5 | -21.4 | 0 | 0 | 0 | 113.8 | I950 L956 A957 | I950-N954 PolarHBondContact O-N 3.43Å; N954-L956 PolarHBondContact O-N 3.27Å; N954-A957 PolarHBondContact O-N 3.27Å |
| 955 | N | 45.6 | Very low | 45.7 | Very low | 144 Ų | 144 | 119.7 Ų | 119.7 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -7.8 | 172.8 | -73.6 | -29.8 | 0 | 0 | 0 | 113.4 | I953 | I953-N955 PolarHBondContact O-N 3.38Š|
| 956 | L | 44.8 | Very low | 43.6 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -9.7 | 176.4 | -87 | 150.6 | 0 | 0 | 0 | 113.7 | I953 N954 | I953-L956 PolarHBondContact O-N 3.05Å; I953-L956 VanDerWaalsContact O-N 3.12Å; N954-L956 PolarHBondContact O-N 3.27Å |
| 957 | A | 39 | Very low | 41.9 | Very low | 69 Ų | 69 | 121.9 Ų | 121.9 | 57% | 0.57 | 67% | 0.665 | S | S | * | * | trans | -100.5 | 3.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | I953 N954 I959 | I953-A957 PolarHBondContact O-N 2.67Å; N954-A957 PolarHBondContact O-N 3.27Å; A957-I959 PolarHBondContact O-N 3.16Å | ||
| 958 | T | 35.6 | Very low | 40.4 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 74% | 0.742 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -99.3 | 75.8 | 171.7 | 19.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 959 | I | 36.4 | Very low | 39.1 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 59% | 0.59 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -177.3 | 116 | 143.8 | -82.5 | 140.2 | 0 | 0 | 0 | 105.6 | A957 I961 | A957-I959 PolarHBondContact O-N 3.16Å; I959-I961 PolarHBondContact O-N 3.1Å |
| 960 | P | 35.8 | Very low | 38.3 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 122.9 | 176.2 | -5.2 | 20.2 | 0 | 0 | 0 | 108.9 | ||
| 961 | I | 36.6 | Very low | 37.4 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 124.5 | 170.1 | -59.2 | 172.2 | 0 | 0 | 0 | 106.1 | I959 D963 | I959-I961 PolarHBondContact O-N 3.1Å; I961-D963 PolarHBondContact O-N 3.43Å |
| 962 | P | 33.9 | Very low | 36.5 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.8 | 177.6 | -18.1 | 29.9 | 0 | 0 | 0 | 110.9 | E964 | P962-E964 PolarHBondContact O-N 3.37Š|
| 963 | D | 36.7 | Very low | 35.5 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -74 | 33.3 | -177.2 | -81.4 | -37.3 | 0 | 0 | 0 | 114.4 | I961 | I961-D963 PolarHBondContact O-N 3.43Š|
| 964 | E | 31.7 | Very low | 34.8 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -115.3 | 128.2 | 170.8 | -79.3 | -176.6 | 158 | 0 | 0 | 110.2 | P962 | P962-E964 PolarHBondContact O-N 3.37Š|
| 965 | D | 30.5 | Very low | 34.4 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | 78.6 | 58.5 | 174.8 | -59 | -24.9 | 0 | 0 | 0 | 118.3 | S967 | D965-S967 VanDerWaalsContact C-N 3.3Š| ||
| 966 | L | 30.9 | Very low | 34 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | trans | -89 | 17.1 | 159.2 | -119.9 | 127.4 | 0 | 0 | 0 | 113.9 | ||||
| 967 | S | 32.2 | Very low | 33.8 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 60% | 0.601 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -96.2 | -4.7 | -179.5 | 62.8 | 0 | 0 | 0 | 0 | 115.3 | D965 | D965-S967 VanDerWaalsContact C-N 3.3Š|
| 968 | Y | 31.5 | Very low | 33.8 | Very low | 218 Ų | 218 | 129.2 Ų | 129.2 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -122.9 | 62.2 | 177.3 | -74.8 | -81.7 | 0 | 0 | 0 | 112.5 | ||
| 969 | A | 28.9 | Very low | 34.1 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | -156.1 | 51.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 970 | V | 31.1 | Very low | 34.6 | Very low | 121 Ų | 121 | 129 Ų | 129 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | trans | -133 | 77.6 | 161.4 | -173.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 971 | D | 31.1 | Very low | 35.1 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | -167.9 | 57.4 | 151.3 | -97.5 | -14 | 0 | 0 | 0 | 109 | ||||
| 972 | C | 27.4 | Very low | 35.4 | Very low | 117 Ų | 117 | 125 Ų | 125 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | trans | -132.3 | 52.9 | 156.6 | -69.7 | 0 | 0 | 0 | 0 | 107.4 | E974 | C972-E974 PolarHBondContact O-N 2.75Š| ||
| 973 | N | 31 | Very low | 36.2 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | trans | -74.7 | 69.3 | 164.3 | -89 | -13.5 | 0 | 0 | 0 | 108.5 | S975 T976 | N973-S975 PolarHBondContact O-N 3.29Å; N973-T976 PolarHBondContact O-OG1 3.17Å | ||
| 974 | E | 34.6 | Very low | 36.9 | Very low | 167 Ų | 167 | 119.5 Ų | 119.5 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 3.8 | 163.2 | -80.2 | -176 | 155.1 | 0 | 0 | 111.8 | C972 | C972-E974 PolarHBondContact O-N 2.75Š|
| 975 | S | 36.7 | Very low | 37.5 | Very low | 76 Ų | 76 | 116 Ų | 116 | 53% | 0.531 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -13 | 174.1 | 33.7 | 0 | 0 | 0 | 0 | 114.5 | N973 F977 E979 | N973-S975 PolarHBondContact O-N 3.29Å; S975-F977 VanDerWaalsContact C-N 3.32Å; S975-E979 PolarHBondContact O-N 3.39Å |
| 976 | T | 37.6 | Very low | 38 | Very low | 77 Ų | 77 | 115 Ų | 115 | 47% | 0.472 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -74 | -23.5 | 170.7 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | N973 I978 D980 | N973-T976 PolarHBondContact O-OG1 3.17Å; T976-I978 VanDerWaalsContact C-N 3.29Å; T976-I978 PolarHBondContact O-N 3.35Å; T976-D980 VanDerWaalsContact O-CB 3.26Å; T976-D980 WeakPolarHBondContact O-CB 3.2Å; T976-D980 PolarHBondContact O-N 3.19Å |
| 977 | F | 40.7 | Very low | 38.9 | Very low | 146 Ų | 146 | 110.4 Ų | 110.4 | 64% | 0.64 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.2 | -28.1 | -179.4 | -167.2 | -101.1 | 0 | 0 | 0 | 113.1 | S975 | S975-F977 VanDerWaalsContact C-N 3.32Å |
| 978 | I | 39.8 | Very low | 39.5 | Very low | 107 Ų | 107 | 112.4 Ų | 112.4 | 55% | 0.549 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -93 | -35.5 | 178.2 | -57.9 | -179.4 | 0 | 0 | 0 | 111.6 | T976 Q981 I982 | T976-I978 VanDerWaalsContact C-N 3.29Å; T976-I978 PolarHBondContact O-N 3.35Å; I978-Q981 PolarHBondContact O-N 3.44Å; I978-I982 HydrophobicContact CG2-CD1 4.16Å; I978-I982 WeakPolarHBondContact O-CG1 3.4Å; I978-I982 PolarHBondContact O-N 3Å; I978-I982 VanDerWaalsContact O-N 3.09Å |
| 979 | E | 41.1 | Very low | 39.9 | Very low | 129 Ų | 129 | 108.9 Ų | 108.9 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.9 | -33.2 | 175.1 | -87.3 | -177.7 | 166.6 | 0 | 0 | 113.1 | S975 I982 T983 | S975-E979 PolarHBondContact O-N 3.39Å; E979-I982 PolarHBondContact O-N 2.68Å; E979-T983 WeakPolarHBondContact O-CB 3.36Å; E979-T983 PolarHBondContact O-N 2.81Å; E979-T983 PolarHBondContact O-OG1 2.71Å |
| 980 | D | 47.6 | Very low | 40.4 | Very low | 102 Ų | 102 | 110.9 Ų | 110.9 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.7 | -36.6 | 172.3 | -82.3 | -17.7 | 0 | 0 | 0 | 111.2 | T976 T983 T984 | T976-D980 VanDerWaalsContact O-CB 3.26Å; T976-D980 WeakPolarHBondContact O-CB 3.2Å; T976-D980 PolarHBondContact O-N 3.19Å; D980-T983 PolarHBondContact O-N 3.38Å; D980-T984 VanDerWaalsContact O-CB 3.27Å; D980-T984 WeakPolarHBondContact O-CB 3.47Å; D980-T984 PolarHBondContact O-N 2.74Å; D980-T984 PolarHBondContact O-OG1 3.46Å |
| 981 | Q | 45.2 | Very low | 41 | Very low | 106 Ų | 106 | 113.6 Ų | 113.6 | 50% | 0.495 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.2 | -35.5 | 174.3 | -77.7 | -166.6 | 2.2 | 0 | 0 | 112.8 | I978 L985 | I978-Q981 PolarHBondContact O-N 3.44Å; Q981-L985 WeakPolarHBondContact O-CB 3.18Å; Q981-L985 VanDerWaalsContact O-CG 3.29Å; Q981-L985 WeakPolarHBondContact O-CG 3.34Å; Q981-L985 PolarHBondContact O-N 3.26Å |
| 982 | I | 43.7 | Very low | 41.1 | Very low | 74 Ų | 74 | 112.3 Ų | 112.3 | 38% | 0.379 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.2 | -35.6 | 175.8 | -66.2 | 172.2 | 0 | 0 | 0 | 111.5 | I978 E979 L985 Q986 | I978-I982 HydrophobicContact CG2-CD1 4.16Å; I978-I982 WeakPolarHBondContact O-CG1 3.4Å; I978-I982 PolarHBondContact O-N 3Å; I978-I982 VanDerWaalsContact O-N 3.09Å; E979-I982 PolarHBondContact O-N 2.68Å; I982-L985 PolarHBondContact O-N 3.43Å; I982-Q986 HydrophobicContact CG2-CG 4.49Å; I982-Q986 WeakPolarHBondContact O-CB 3.42Å; I982-Q986 WeakPolarHBondContact O-CG 3.27Å; I982-Q986 PolarHBondContact O-N 3.35Å |
| 983 | T | 49.8 | Very low | 41.2 | Very low | 84 Ų | 84 | 113.1 Ų | 113.1 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.9 | -35.1 | 176 | -44.4 | 0 | 0 | 0 | 0 | 111.1 | E979 D980 Q986 S987 | E979-T983 WeakPolarHBondContact O-CB 3.36Å; E979-T983 PolarHBondContact O-N 2.81Å; E979-T983 PolarHBondContact O-OG1 2.71Å; D980-T983 PolarHBondContact O-N 3.38Å; T983-Q986 PolarHBondContact O-N 3.4Å; T983-S987 WeakPolarHBondContact O-CB 3.35Å; T983-S987 PolarHBondContact O-N 3.37Å |
| 984 | T | 51.1 | Low | 41.3 | Very low | 73 Ų | 73 | 114.6 Ų | 114.6 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.4 | -47.4 | 172.9 | -50.1 | 0 | 0 | 0 | 0 | 109.9 | D980 Q986 S987 E988 | D980-T984 VanDerWaalsContact O-CB 3.27Å; D980-T984 WeakPolarHBondContact O-CB 3.47Å; D980-T984 PolarHBondContact O-N 2.74Å; D980-T984 PolarHBondContact O-OG1 3.46Å; T984-Q986 PolarHBondContact O-N 3.48Å; T984-S987 PolarHBondContact O-N 3.34Å; T984-S987 PolarHBondContact O-OG 2.73Å; T984-E988 WeakPolarHBondContact O-CG 3.38Å; T984-E988 PolarHBondContact O-N 2.9Å |
| 985 | L | 44.4 | Very low | 41.1 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 52% | 0.518 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.6 | -29.9 | 177.2 | -72.5 | 168 | 0 | 0 | 0 | 114.1 | Q981 I982 L989 | Q981-L985 WeakPolarHBondContact O-CB 3.18Å; Q981-L985 VanDerWaalsContact O-CG 3.29Å; Q981-L985 WeakPolarHBondContact O-CG 3.34Å; Q981-L985 PolarHBondContact O-N 3.26Å; I982-L985 PolarHBondContact O-N 3.43Å; L985-L989 PolarHBondContact O-N 3.44Å |
| 986 | Q | 40.8 | Very low | 40.6 | Very low | 119 Ų | 119 | 114 Ų | 114 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -79.7 | -27.7 | 174.1 | -78.9 | -173.4 | -16 | 0 | 0 | 113.4 | I982 T983 T984 E988 N990 | I982-Q986 HydrophobicContact CG2-CG 4.49Å; I982-Q986 WeakPolarHBondContact O-CB 3.42Å; I982-Q986 WeakPolarHBondContact O-CG 3.27Å; I982-Q986 PolarHBondContact O-N 3.35Å; T983-Q986 PolarHBondContact O-N 3.4Å; T984-Q986 PolarHBondContact O-N 3.48Å; Q986-E988 VanDerWaalsContact C-N 3.3Å; Q986-N990 PolarHBondContact O-N 3.43Å |
| 987 | S | 50.3 | Low | 40.2 | Very low | 70 Ų | 70 | 116.4 Ų | 116.4 | 49% | 0.49 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.5 | -32.1 | 170.2 | 81.7 | 0 | 0 | 0 | 0 | 111.3 | T983 T984 | T983-S987 WeakPolarHBondContact O-CB 3.35Å; T983-S987 PolarHBondContact O-N 3.37Å; T984-S987 PolarHBondContact O-N 3.34Å; T984-S987 PolarHBondContact O-OG 2.73Å |
| 988 | E | 46 | Very low | 39.5 | Very low | 128 Ų | 128 | 114.5 Ų | 114.5 | 60% | 0.598 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.6 | -34.3 | 175.3 | -73.1 | -178 | 167.9 | 0 | 0 | 112.4 | T984 Q986 N990 | T984-E988 WeakPolarHBondContact O-CG 3.38Å; T984-E988 PolarHBondContact O-N 2.9Å; Q986-E988 VanDerWaalsContact C-N 3.3Å; E988-N990 PolarHBondContact O-N 3.47Å |
| 989 | L | 39.6 | Very low | 38.8 | Very low | 145 Ų | 145 | 116 Ų | 116 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.4 | -16.3 | 178.3 | -110.3 | 102.1 | 0 | 0 | 0 | 115.4 | L985 | L985-L989 PolarHBondContact O-N 3.44Å |
| 990 | N | 38.9 | Very low | 38.1 | Very low | 135 Ų | 135 | 115 Ų | 115 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 3.3 | -173.5 | -87.9 | -24.5 | 0 | 0 | 0 | 115.5 | Q986 E988 | Q986-N990 PolarHBondContact O-N 3.43Å; E988-N990 PolarHBondContact O-N 3.47Å |
| 991 | K | 42.6 | Very low | 37.2 | Very low | 177 Ų | 177 | 115.4 Ų | 115.4 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -98.7 | -3 | 178.6 | -84.9 | -173.9 | 175.6 | 177.7 | 0 | 116 | ||
| 992 | D | 33.8 | Very low | 36.3 | Very low | 122 Ų | 122 | 118 Ų | 118 | 65% | 0.652 | 65% | 0.65 | S | S | * | * | trans | -104.5 | 19.5 | 179.9 | -73.7 | -18.1 | 0 | 0 | 0 | 115.2 | Y994 | D992-Y994 PolarHBondContact O-N 3.37Š| ||
| 993 | N | 29.8 | Very low | 35.6 | Very low | 134 Ų | 134 | 117.7 Ų | 117.7 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | trans | -89.9 | 83.8 | 164.7 | -100.6 | -10.8 | 0 | 0 | 0 | 110.7 | D995 | N993-D995 PolarHBondContact O-N 3.12Š| ||
| 994 | Y | 33.3 | Very low | 34.6 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 53% | 0.533 | 68% | 0.679 | S | S | . | * | trans | -65.9 | 114.4 | 167.6 | -77.2 | -98.1 | 0 | 0 | 0 | 110.7 | D992 | D992-Y994 PolarHBondContact O-N 3.37Š| ||
| 995 | D | 30.9 | Very low | 33.6 | Very low | 158 Ų | 158 | 124.1 Ų | 124.1 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | trans | -108 | 109.8 | 153 | -140.3 | -5.3 | 0 | 0 | 0 | 107.7 | N993 T997 | N993-D995 PolarHBondContact O-N 3.12Å; D995-T997 PolarHBondContact O-N 2.9Å | ||
| 996 | C | 26.6 | Very low | 32.8 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 50% | 0.5 | 71% | 0.706 | S | S | . | * | trans | -80.9 | 105.7 | -179 | -67.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 997 | T | 27.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -143.8 | 126.3 | 152.9 | 29.1 | 0 | 0 | 0 | 0 | 112.8 | D995 | D995-T997 PolarHBondContact O-N 2.9Š| ||
| 998 | S | 26.1 | Very low | 31.1 | Very low | 106 Ų | 106 | 125.2 Ų | 125.2 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | 58.8 | 90.2 | 152 | 58.3 | 0 | 0 | 0 | 0 | 118 | S1000 | S998-S1000 VanDerWaalsContact C-N 3.32Å; S998-S1000 PolarHBondContact O-N 2.85Å | ||
| 999 | V | 26 | Very low | 30.2 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | trans | -50.1 | 93.7 | 144.9 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | T1001 | V999-T1001 HydrophobicContact CG1-CG2 3.92Š| ||
| 1000 | S | 26.7 | Very low | 30 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -100.4 | 96.8 | 153 | 68.8 | 0 | 0 | 0 | 0 | 107.4 | S998 N1002 | S998-S1000 VanDerWaalsContact C-N 3.32Å; S998-S1000 PolarHBondContact O-N 2.85Å; S1000-N1002 PolarHBondContact O-N 3.49Å | ||
| 1001 | T | 27.5 | Very low | 30.3 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | trans | -57.2 | 109.2 | 163 | 47.5 | 0 | 0 | 0 | 0 | 109 | V999 | V999-T1001 HydrophobicContact CG1-CG2 3.92Š| ||
| 1002 | N | 27.5 | Very low | 30.6 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | trans | -170.1 | 123 | 135.9 | -87.6 | -24 | 0 | 0 | 0 | 107.3 | S1000 | S1000-N1002 PolarHBondContact O-N 3.49Š| ||
| 1003 | G | 29.1 | Very low | 30.3 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | -64.7 | 148.5 | -155.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1005 | G1003-D1005 PolarHBondContact O-N 2.98Š| ||
| 1004 | P | 27.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | -77.1 | 103.7 | 167.3 | 32.1 | -25.5 | 0 | 0 | 0 | 106.8 | S1006 | P1004-S1006 PolarHBondContact O-N 3.16Š| ||
| 1005 | D | 30.8 | Very low | 30.4 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -70.1 | 83.4 | 150.9 | -94.8 | -18.4 | 0 | 0 | 0 | 106.1 | G1003 G1007 | G1003-D1005 PolarHBondContact O-N 2.98Å; D1005-G1007 PolarHBondContact O-N 3.5Å | ||
| 1006 | S | 27.6 | Very low | 30.3 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -38.6 | 124.6 | 157.5 | 45.3 | 0 | 0 | 0 | 0 | 108.9 | P1004 I1008 | P1004-S1006 PolarHBondContact O-N 3.16Å; S1006-I1008 PolarHBondContact O-N 3.36Å | ||
| 1007 | G | 24.8 | Very low | 30.3 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -42.7 | 113.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | D1005 V1009 | D1005-G1007 PolarHBondContact O-N 3.5Å; G1007-V1009 VanDerWaalsContact C-N 3.28Å; G1007-V1009 PolarHBondContact O-N 3.31Å | ||
| 1008 | I | 29.7 | Very low | 30.4 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -56 | 98 | 149.4 | -65.2 | 165.6 | 0 | 0 | 0 | 105.8 | S1006 S1010 | S1006-I1008 PolarHBondContact O-N 3.36Å; I1008-S1010 WeakPolarHBondContact CG2-OG 3.36Å | ||
| 1009 | V | 28.6 | Very low | 30.2 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -105.1 | 86.3 | 142 | 177.4 | 0 | 0 | 0 | 0 | 105.4 | G1007 | G1007-V1009 VanDerWaalsContact C-N 3.28Å; G1007-V1009 PolarHBondContact O-N 3.31Å | ||
| 1010 | S | 34.9 | Very low | 30.4 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 136.5 | 143.9 | 49.6 | 0 | 0 | 0 | 0 | 106.3 | I1008 | I1008-S1010 WeakPolarHBondContact CG2-OG 3.36Š| ||
| 1011 | E | 44.4 | Very low | 30.3 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | cis | -148.5 | -165.3 | 31.9 | -57.5 | 174.5 | 144.4 | 0 | 0 | 107.4 | ||||
| 1012 | P | 48.5 | Very low | 30.3 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -143.8 | 178.6 | -3.9 | 25.5 | 0.9 | 0 | 0 | 0 | 115.1 | ||||
| 1013 | N | 28.8 | Very low | 30.5 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -105.6 | 126.8 | 158.6 | -98.9 | -32.5 | 0 | 0 | 0 | 109.5 | ||||
| 1014 | G | 29.9 | Very low | 30.5 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -167.5 | 104.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1015 | V | 35 | Very low | 30.4 | Very low | 132 Ų | 132 | 136 Ų | 136 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | 68.1 | 125.6 | 148.4 | -167.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1016 | K | 27.7 | Very low | 30.3 | Very low | 203 Ų | 203 | 133.2 Ų | 133.2 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | 42.8 | 139.6 | 152.2 | -69.4 | 175.5 | 177.1 | 179.6 | 0 | 121.5 | ||||
| 1017 | G | 26.6 | Very low | 30.3 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | 111.8 | 115.8 | 126.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1018 | K | 29.9 | Very low | 30.5 | Very low | 205 Ų | 205 | 137.7 Ų | 137.7 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | -45.2 | 132.5 | 160.5 | -65.6 | 172.1 | 172.3 | 179.5 | 0 | 111.3 | ||||
| 1019 | T | 23.6 | Very low | 30.7 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | -164.4 | 129.9 | 127.6 | -29.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1020 | V | 29 | Very low | 30.8 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | trans | -49.9 | 143.7 | 160.8 | 174.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1021 | T | 24.7 | Very low | 30.6 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | trans | 162.6 | 116.3 | 130.7 | 29.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1022 | Q | 28.5 | Very low | 29.9 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | 47 | 114.2 | 100.5 | -74 | -177.6 | -9.8 | 0 | 0 | 115.2 | |||||
| 1023 | Q | 30.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | -133.5 | 104.3 | 142.2 | -77 | -172.2 | -2.3 | 0 | 0 | 107.2 | ||||
| 1024 | L | 30.2 | Very low | 29.8 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | 69.5 | 101.5 | 77.1 | -75.8 | 157.2 | 0 | 0 | 0 | 112.1 | |||||
| 1025 | Q | 25.4 | Very low | 29.7 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -121.2 | 96.2 | 140.4 | -99.5 | -179 | -17.3 | 0 | 0 | 109.4 | ||||
| 1026 | T | 27.7 | Very low | 29.6 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | 56.7 | 113.4 | 122.8 | 56.1 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1027 | S | 27.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | 173.8 | 104.8 | 110.3 | 39.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1028 | I | 29.6 | Very low | 29.9 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | 32 | 116.8 | 126.5 | -52.7 | 169.2 | 0 | 0 | 0 | 118.5 | |||||
| 1029 | H | 34 | Very low | 29.9 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | -175 | 108.7 | 124.2 | -101.2 | -55.4 | 0 | 0 | 0 | 113.9 | |||||
| 1030 | D | 31.5 | Very low | 30.5 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 66% | 0.658 | 75% | 0.751 | S | S | * | * | 50.7 | 122 | 127.4 | -60.8 | -31.7 | 0 | 0 | 0 | 124.9 | |||||
| 1031 | S | 30.5 | Very low | 30.4 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 95.4 | 107.7 | 121.2 | 69.2 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1032 | E | 28.3 | Very low | 30.6 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | 42.5 | 118.5 | 118.1 | -76.3 | -169.8 | -179.1 | 0 | 0 | 120.4 | |||||
| 1033 | K | 34.6 | Very low | 30.8 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | 164 | 150.2 | 84.4 | -112.3 | 156.6 | -173.6 | 154.7 | 0 | 114 | |||||
| 1034 | P | 41.7 | Very low | 30.5 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | trans | -96.2 | 157.4 | 174.6 | 37.7 | -30.8 | 0 | 0 | 0 | 112.8 | ||||
| 1035 | T | 27.9 | Very low | 30.6 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 153.8 | 128.2 | 134.8 | 38.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1036 | K | 33.1 | Very low | 30.7 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | 179.7 | 117.9 | 114.7 | -99.1 | 175.7 | -178.6 | 178.3 | 0 | 112.4 | |||||
| 1037 | V | 27.4 | Very low | 30.9 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 133.2 | 160.9 | 172.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1038 | V | 33.2 | Very low | 31.6 | Very low | 125 Ų | 125 | 143 Ų | 143 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -132.6 | 102.2 | 159.9 | -179 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1039 | N | 29.9 | Very low | 31.6 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -77.6 | 127 | 162.8 | -84 | -27.3 | 0 | 0 | 0 | 109.2 | ||||
| 1040 | S | 34.7 | Very low | 31.4 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -154.7 | 100.8 | 153 | 58.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1041 | L | 28.3 | Very low | 31.2 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | trans | -58.4 | 141.8 | 161.3 | -79.7 | 136.8 | 0 | 0 | 0 | 111.1 | ||||
| 1042 | G | 29.2 | Very low | 31.1 | Very low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 164 | 95.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1043 | K | 31 | Very low | 31.3 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | 87.2 | 91.9 | 145.3 | -60 | -176.8 | 177.9 | 179.4 | 0 | 119.8 | ||||
| 1044 | C | 24.5 | Very low | 31.1 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | 34.5 | 110.8 | 121.9 | -57.2 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1045 | K | 31.8 | Very low | 30.6 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | -133.9 | 131.2 | 129.6 | -99.7 | -176 | 178.9 | 179.3 | 0 | 110 | |||||
| 1046 | N | 28.6 | Very low | 30.8 | Very low | 148 Ų | 148 | 150.5 Ų | 150.5 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -65.5 | 141.1 | -176.4 | -75.7 | -27.4 | 0 | 0 | 0 | 113.4 | ||||
| 1047 | N | 31.4 | Very low | 30.7 | Very low | 156 Ų | 156 | 146 Ų | 146 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | 85.3 | 149.9 | 135.8 | -93.9 | 12.5 | 0 | 0 | 0 | 121.4 | ||||
| 1048 | P | 42.7 | Very low | 30.8 | Very low | 88 Ų | 88 | 149.8 Ų | 149.8 | 57% | 0.571 | 82% | 0.815 | S | S | * | * | -120.1 | 153.3 | -129.8 | 24.2 | -1.6 | 0 | 0 | 0 | 111.7 | |||||
| 1049 | N | 29.6 | Very low | 30.7 | Very low | 175 Ų | 175 | 159.5 Ų | 159.5 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | trans | -122.2 | 94.8 | 152.4 | -96.7 | -18.7 | 0 | 0 | 0 | 108.2 | ||||
| 1050 | V | 29.4 | Very low | 30.7 | Very low | 117 Ų | 117 | 160 Ų | 160 | 71% | 0.709 | 84% | 0.84 | S | S | * | * | trans | -66.6 | 155.4 | 158.5 | 166.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1051 | S | 28.4 | Very low | 30.5 | Very low | 117 Ų | 117 | 162.7 Ų | 162.7 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | trans | 79.1 | 123.5 | 167.5 | 76.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1052 | G | 28.2 | Very low | 30.6 | Very low | 72 Ų | 72 | 161.6 Ų | 161.6 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | cis | 143.4 | 84.8 | 15.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | N1054 | G1052-N1054 PolarHBondContact O-N 3.45Š| ||
| 1053 | K | 31 | Very low | 30.7 | Very low | 217 Ų | 217 | 166.9 Ų | 166.9 | 94% | 0.943 | 85% | 0.845 | S | S | * | * | trans | -85.6 | 92.5 | 168.8 | -88.3 | -169 | 173.6 | -172.2 | 0 | 108.3 | ||||
| 1054 | N | 31 | Very low | 30.7 | Very low | 142 Ų | 142 | 164.6 Ų | 164.6 | 76% | 0.759 | 84% | 0.842 | S | S | * | * | trans | -67 | 154 | 162.1 | -126.1 | -10.8 | 0 | 0 | 0 | 109.6 | G1052 | G1052-N1054 PolarHBondContact O-N 3.45Š| ||
| 1055 | Q | 31.8 | Very low | 31.1 | Very low | 165 Ų | 165 | 167.3 Ų | 167.3 | 77% | 0.771 | 84% | 0.843 | S | S | * | * | trans | 79 | 84.9 | 157 | -65.7 | 173.8 | -8.1 | 0 | 0 | 117.9 | S1057 | Q1055-S1057 PolarHBondContact O-N 2.69Š| ||
| 1056 | R | 31.5 | Very low | 31.1 | Very low | 260 Ų | 260 | 163.9 Ų | 163.9 | 98% | 0.981 | 84% | 0.836 | S | S | * | * | trans | -53.4 | 111.7 | 130.3 | -88.5 | 176.8 | 166.7 | 171.5 | -4.2 | 109.1 | ||||
| 1057 | S | 30.3 | Very low | 31.3 | Very low | 101 Ų | 101 | 165.1 Ų | 165.1 | 71% | 0.706 | 84% | 0.839 | S | S | * | * | trans | -107.9 | 112.8 | 159.3 | 60.5 | 0 | 0 | 0 | 0 | 108.5 | Q1055 | Q1055-S1057 PolarHBondContact O-N 2.69Š| ||
| 1058 | K | 30.8 | Very low | 31.2 | Very low | 206 Ų | 206 | 165.8 Ų | 165.8 | 90% | 0.896 | 84% | 0.84 | S | S | * | * | trans | 179.9 | 104.6 | 144.9 | -100.7 | 168.8 | -173.7 | -177.8 | 0 | 109.2 | ||||
| 1059 | R | 30.2 | Very low | 30.2 | Very low | 330 Ų | 330 | 172.9 Ų | 172.9 | 100% | 1.245 | 86% | 0.864 | S | S | * | * | trans | 70.5 | 0 | 178.5 | -75.2 | -175.9 | 173.9 | 177.3 | -2.4 | 117.2 |
Retrieved 1,059 of 1,059 residues in 1107 ms
(Link to these results)