| 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 | 40.3 | Very low | 85.2 | Confident | 242 Ų | 242 | 83.3 Ų | 83.3 | 100% | 1.192 | 47% | 0.466 | S | S | * | . | 0 | 124.4 | 0 | -64.1 | -176.5 | -135.8 | 0 | 0 | 106.1 | Q3 | M1-Q3 PolarHBondContact O-N 2.62Š| |||
| 2 | A | 51.9 | Low | 86.4 | Confident | 105 Ų | 105 | 76.3 Ų | 76.3 | 87% | 0.868 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 126 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 3 | Q | 70.1 | Confident | 87.3 | Confident | 158 Ų | 158 | 70.5 Ų | 70.5 | 74% | 0.738 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 131.8 | 180 | -146.1 | 167.2 | 12.2 | 0 | 0 | 108 | M1 | M1-Q3 PolarHBondContact O-N 2.62Š|
| 4 | T | 87.9 | Confident | 88.2 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 72% | 0.718 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 128.4 | 176.6 | -53.8 | 0 | 0 | 0 | 0 | 108.9 | ||
| 5 | P | 96.1 | Very high | 88.9 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 146.4 | 178.9 | -24.8 | 32.9 | 0 | 0 | 0 | 112.1 | F7 N8 D305 | P5-F7 PolarHBondContact O-N 3.35Å; P5-N8 HydrophobicContact CB-CB 4.12Å; P5-N8 HydrophobicContact CG-CB 4.28Å; P5-D305 VanDerWaalsContact CA-OD1 3.28Å; P5-D305 WeakPolarHBondContact CA-OD1 3.16Å; P5-D305 WeakPolarHBondContact CB-OD1 3.35Å |
| 6 | A | 97.9 | Very high | 89.5 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -56.9 | -41.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D305 Q309 K312 | A6-D305 PolarHBondContact N-OD1 3.02Å; A6-Q309 HydrophobicContact CB-CB 4.04Å; A6-Q309 VanDerWaalsContact CB-OE1 3.3Å; A6-K312 HydrophobicContact CB-CB 4.46Å; A6-K312 HydrophobicContact CB-CD 3.95Å; A6-K312 PolarHBondContact O-NZ 3.45Å; A6-K312 VanDerWaalsContact O-NZ 3.17Å |
| 7 | F | 98.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -140.9 | 93.4 | 178.1 | -177.1 | -115.7 | 0 | 0 | 0 | 110.7 | P5 K9 K11 Y308 E319 F322 K323 Y351 | P5-F7 PolarHBondContact O-N 3.35Å; F7-K9 VanDerWaalsContact C-N 3.31Å; F7-K9 HydrophobicContact CD1-CB 4.33Å; F7-K9 HydrophobicContact CD2-CB 4.5Å; F7-K9 HydrophobicContact CD2-CG 4.44Å; F7-K9 HydrophobicContact CE1-CB 3.8Å; F7-K9 HydrophobicContact CE2-CB 4Å; F7-K9 HydrophobicContact CE2-CD 3.7Å; F7-K9 HydrophobicContact CE2-CG 4Å; F7-K9 HydrophobicContact CZ-CB 3.63Å; F7-K9 HydrophobicContact CZ-CD 3.92Å; F7-K9 HydrophobicContact CZ-CG 4.14Å; F7-K9 PolarHBondContact O-N 3.45Å; F7-K9 VanDerWaalsContact O-N 3.12Å; F7-K11 HydrophobicContact CD1-CG 4.11Å; F7-K11 HydrophobicContact CE1-CG 4.33Å; F7-K11 WeakPolarHBondContact O-CE 3.35Å; F7-K11 PolarHBondContact O-NZ 3.46Å; F7-Y308 HydrophobicContact CB-CD1 3.46Å; F7-Y308 VanDerWaalsContact CB-CD1 3.46Å; F7-Y308 HydrophobicContact CB-CE1 3.88Å; F7-Y308 HydrophobicContact CB-CG 4.41Å; F7-Y308 HydrophobicContact CD1-CD1 4.04Å; F7-Y308 AromaticContact CD1-CE1 3.51Å; F7-Y308 HydrophobicContact CD1-CE1 3.51Å; F7-Y308 HydrophobicContact CE1-CE1 4.31Å; F7-Y308 HydrophobicContact CG-CD1 4.07Å; F7-Y308 AromaticContact CG-CE1 3.97Å; F7-Y308 HydrophobicContact CG-CE1 3.97Å; F7-E319 HydrophobicContact CD2-CG 4.14Å; F7-E319 HydrophobicContact CE2-CG 3.86Å; F7-F322 HydrophobicContact CB-CB 4.43Å; F7-F322 HydrophobicContact CB-CD2 3.84Å; F7-F322 HydrophobicContact CB-CE2 4.32Å; F7-F322 HydrophobicContact CB-CG 4.17Å; F7-F322 HydrophobicContact CD1-CB 4.08Å; F7-F322 HydrophobicContact CD2-CB 3.59Å; F7-F322 AromaticContact CD2-CD2 3.95Å; F7-F322 HydrophobicContact CD2-CD2 3.95Å; F7-F322 HydrophobicContact CD2-CG 4.11Å; F7-F322 HydrophobicContact CE1-CB 4.16Å; F7-F322 HydrophobicContact CE2-CB 3.67Å; F7-F322 HydrophobicContact CG-CB 3.79Å; F7-F322 HydrophobicContact CG-CD2 4.06Å; F7-F322 HydrophobicContact CG-CG 4.08Å; F7-F322 HydrophobicContact CZ-CB 3.94Å; F7-K323 HydrophobicContact CE2-CG 4.16Å; F7-K323 HydrophobicContact CZ-CG 4.09Å; F7-Y351 HydrophobicContact CE1-CE1 4.31Å; F7-Y351 AromaticContact CZ-CE1 3.73Å; F7-Y351 HydrophobicContact CZ-CE1 3.73Å; F7-Y351 AromaticContact CZ-CZ 3.87Å |
| 8 | N | 98.4 | Very high | 90.6 | Very high | 127 Ų | 127 | 51.9 Ų | 51.9 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | trans | -88.8 | 59.8 | -178.3 | -163.6 | 22.3 | 0 | 0 | 0 | 112.7 | P5 | P5-N8 HydrophobicContact CB-CB 4.12Å; P5-N8 HydrophobicContact CG-CB 4.28Å | ||
| 9 | K | 98.7 | Very high | 91 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -138.5 | 171.6 | 176.3 | -59.5 | -170.5 | -172.6 | -67.2 | 0 | 110.3 | F7 K11 E319 Y351 | F7-K9 VanDerWaalsContact C-N 3.31Å; F7-K9 HydrophobicContact CD1-CB 4.33Å; F7-K9 HydrophobicContact CD2-CB 4.5Å; F7-K9 HydrophobicContact CD2-CG 4.44Å; F7-K9 HydrophobicContact CE1-CB 3.8Å; F7-K9 HydrophobicContact CE2-CB 4Å; F7-K9 HydrophobicContact CE2-CD 3.7Å; F7-K9 HydrophobicContact CE2-CG 4Å; F7-K9 HydrophobicContact CZ-CB 3.63Å; F7-K9 HydrophobicContact CZ-CD 3.92Å; F7-K9 HydrophobicContact CZ-CG 4.14Å; F7-K9 PolarHBondContact O-N 3.45Å; F7-K9 VanDerWaalsContact O-N 3.12Å; K9-K11 WeakPolarHBondContact O-CG 3.33Å; K9-K11 PolarHBondContact O-NZ 3.32Å; K9-E319 VanDerWaalsContact CE-CD 3.45Å; K9-E319 WeakPolarHBondContact CE-OE1 3.41Å; K9-E319 IonicContact NZ-OE1 2.76Å; K9-Y351 HydrophobicContact CB-CD1 4.41Å; K9-Y351 HydrophobicContact CB-CE1 3.86Å; K9-Y351 HydrophobicContact CD-CD1 3.88Å; K9-Y351 HydrophobicContact CD-CE1 4.05Å |
| 10 | P | 98.8 | Very high | 91.4 | Very high | 32 Ų | 32 | 47 Ų | 47 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | trans | -51.4 | 141.7 | 174.1 | -35 | 43 | 0 | 0 | 0 | 113.6 | G94 V96 L346 L347 A350 Y351 | P10-G94 CarbonylContact C-O 3.47Å; P10-G94 VanDerWaalsContact CA-O 3.26Å; P10-G94 WeakPolarHBondContact CA-O 3.25Å; P10-V96 HydrophobicContact CB-CB 4.49Å; P10-V96 HydrophobicContact CB-CG1 3.72Å; P10-V96 HydrophobicContact CB-CG2 3.91Å; P10-V96 HydrophobicContact CG-CG1 4.25Å; P10-L346 HydrophobicContact CB-CD2 4.39Å; P10-L347 HydrophobicContact CB-CD2 3.94Å; P10-A350 HydrophobicContact CB-CB 4.43Å; P10-A350 HydrophobicContact CG-CB 3.61Å; P10-Y351 PolarHBondContact O-OH 3.34Å | ||
| 11 | K | 98.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 155.3 | -179.2 | -58.3 | 171.6 | -162.5 | 66.1 | 0 | 111.6 | F7 K9 E93 G94 V95 V96 L304 Y308 N326 | F7-K11 HydrophobicContact CD1-CG 4.11Å; F7-K11 HydrophobicContact CE1-CG 4.33Å; F7-K11 WeakPolarHBondContact O-CE 3.35Å; F7-K11 PolarHBondContact O-NZ 3.46Å; K9-K11 WeakPolarHBondContact O-CG 3.33Å; K9-K11 PolarHBondContact O-NZ 3.32Å; K11-E93 PolarHBondContact NZ-O 3.35Å; K11-G94 PolarHBondContact N-O 2.99Å; K11-V95 WeakPolarHBondContact O-CA 3.34Å; K11-V96 WeakPolarHBondContact O-CG2 3.42Å; K11-V96 PolarHBondContact O-N 3.38Å; K11-L304 HydrophobicContact CB-CD1 4.46Å; K11-L304 HydrophobicContact CD-CB 4.4Å; K11-L304 HydrophobicContact CD-CD1 4.12Å; K11-Y308 HydrophobicContact CD-CE1 4.42Å; K11-Y308 HydrophobicContact CD-CE2 3.93Å; K11-N326 VanDerWaalsContact CA-OD1 3.31Å; K11-N326 WeakPolarHBondContact CA-OD1 3.46Å |
| 12 | V | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.6 | 171.3 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | L14 Y97 N326 A329 A330 L343 L347 | V12-L14 HydrophobicContact CG1-CD2 3.7Å; V12-L14 HydrophobicContact CG1-CG 4.1Å; V12-Y97 WeakPolarHBondContact CA-O 3.09Å; V12-Y97 HydrophobicContact CG1-CD1 3.73Å; V12-N326 PolarHBondContact N-OD1 3.46Å; V12-A329 HydrophobicContact CB-CB 3.85Å; V12-A329 HydrophobicContact CG1-CB 3.62Å; V12-A330 HydrophobicContact CG2-CB 4.34Å; V12-L343 HydrophobicContact CG2-CD1 4.37Å; V12-L343 HydrophobicContact CG2-CD2 4.23Å; V12-L347 HydrophobicContact CG2-CD1 3.97Å |
| 13 | E | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.8 | 178.2 | -173.1 | 171.9 | -147.4 | 0 | 0 | 110.1 | V16 K90 Y97 V98 E99 N293 T294 L304 | E13-V16 HydrophobicContact CG-CB 4.3Å; E13-V16 HydrophobicContact CG-CG1 4.03Å; E13-K90 IonicContact OE1-NZ 3.83Å; E13-K90 PolarHBondContact OE1-NZ 3.3Å; E13-K90 VanDerWaalsContact OE2-CD 3.27Å; E13-K90 WeakPolarHBondContact OE2-CD 3.44Å; E13-K90 WeakPolarHBondContact OE2-CE 3.28Å; E13-K90 IonicContact OE2-NZ 3.76Å; E13-K90 PolarHBondContact OE2-NZ 3.02Å; E13-Y97 PolarHBondContact N-O 2.86Å; E13-Y97 VanDerWaalsContact N-O 3.09Å; E13-V98 HydrophobicContact CB-CG2 4.27Å; E13-V98 VanDerWaalsContact O-CA 3.27Å; E13-V98 WeakPolarHBondContact O-CA 3.27Å; E13-E99 PolarHBondContact O-N 2.91Å; E13-N293 HydrophobicContact CG-CB 4.12Å; E13-T294 VanDerWaalsContact OE1-CB 3.28Å; E13-T294 WeakPolarHBondContact OE1-CB 3.31Å; E13-T294 WeakPolarHBondContact OE1-CG2 3.49Å; E13-T294 PolarHBondContact OE1-N 3.41Å; E13-T294 PolarHBondContact OE1-OG1 3Å; E13-L304 HydrophobicContact CB-CD1 4.28Å; E13-L304 HydrophobicContact CG-CD2 4.22Å; E13-L304 WeakPolarHBondContact OE1-CD2 3.46Å |
| 14 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -11.1 | -173.1 | -57.7 | -177.9 | 0 | 0 | 0 | 112.9 | V12 Y97 E99 R101 N293 A329 | V12-L14 HydrophobicContact CG1-CD2 3.7Å; V12-L14 HydrophobicContact CG1-CG 4.1Å; L14-Y97 HydrophobicContact CD2-CD1 4.24Å; L14-Y97 HydrophobicContact CD2-CE1 3.82Å; L14-E99 HydrophobicContact CD2-CG 4.15Å; L14-R101 PolarHBondContact O-NH2 3.28Å; L14-N293 PolarHBondContact N-OD1 3.15Å; L14-A329 HydrophobicContact CD1-CB 3.93Å; L14-A329 HydrophobicContact CG-CB 4.28Å |
| 15 | H | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 89.1 | -173.3 | -166.1 | 128.8 | 0 | 0 | 0 | 112.2 | R101 H214 H238 E260 N293 D295 | H15-R101 PolarHBondContact CE1-NH1 3.25Å; H15-R101 VanDerWaalsContact CG-CZ 3.46Å; H15-R101 PolarHBondContact ND1-NH1 3.09Å; H15-R101 PolarHBondContact ND1-NH2 3.02Å; H15-H214 AromaticContact CE1-CD2 3.83Å; H15-H214 AromaticContact CE1-CE1 3.49Å; H15-H214 PolarHBondContact CE1-CE1 3.23Å; H15-H214 VanDerWaalsContact CE1-CE1 3.49Å; H15-H214 AromaticContact CE1-NE2 3.33Å; H15-H214 PolarHBondContact CE1-NE2 3.35Å; H15-H214 VanDerWaalsContact CE1-NE2 3.33Å; H15-H214 AromaticContact NE2-CD2 3.95Å; H15-H214 AromaticContact NE2-CE1 3.53Å; H15-H214 AromaticContact NE2-NE2 3.14Å; H15-H214 PolarHBondContact NE2-NE2 3.46Å; H15-H214 VanDerWaalsContact NE2-NE2 3.14Å; H15-H238 AromaticContact CE1-CE1 3.98Å; H15-H238 AromaticContact CE1-NE2 3.71Å; H15-H238 AromaticContact NE2-CE1 3.8Å; H15-H238 AromaticContact NE2-NE2 3.7Å; H15-E260 HydrophobicContact CB-CB 3.8Å; H15-E260 HydrophobicContact CB-CG 4.4Å; H15-E260 IonicContact CE1-OE2 2.76Å; H15-E260 IonicContact CG-OE2 3.38Å; H15-E260 IonicContact ND1-OE2 3.38Å; H15-E260 PolarHBondContact ND1-OE2 3.05Å; H15-N293 HydrophobicContact CB-CB 3.74Å; H15-N293 PolarHBondContact N-OD1 3.26Å; H15-N293 VanDerWaalsContact N-OD1 3.07Å; H15-N293 WeakPolarHBondContact O-CB 3.43Å; H15-D295 IonicContact CD2-OD1 3.83Å; H15-D295 PolarHBondContact CD2-OD1 3Å; H15-D295 VanDerWaalsContact CD2-OD1 3.25Å; H15-D295 IonicContact NE2-OD1 3.68Å; H15-D295 PolarHBondContact NE2-OD1 3.38Å; H15-D295 WeakPolarHBondContact O-CA 3.27Å; H15-D295 PolarHBondContact O-N 2.93Å; H15-D295 VanDerWaalsContact O-N 3.13Å |
| 16 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 132.6 | 177.4 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | E13 S21 F86 V98 V100 R101 T294 D295 P297 | E13-V16 HydrophobicContact CG-CB 4.3Å; E13-V16 HydrophobicContact CG-CG1 4.03Å; V16-S21 VanDerWaalsContact CG2-OG 3.32Å; V16-S21 WeakPolarHBondContact CG2-OG 3.41Å; V16-F86 HydrophobicContact CG1-CE2 4.15Å; V16-F86 HydrophobicContact CG1-CZ 3.66Å; V16-F86 HydrophobicContact CG2-CE2 3.81Å; V16-F86 HydrophobicContact CG2-CZ 4.2Å; V16-V98 HydrophobicContact CG1-CG2 3.67Å; V16-V100 HydrophobicContact CG1-CG2 4.46Å; V16-V100 WeakPolarHBondContact O-CA 3.44Å; V16-V100 WeakPolarHBondContact O-CG2 3.19Å; V16-R101 PolarHBondContact O-N 2.89Å; V16-T294 WeakPolarHBondContact CG2-OG1 3.48Å; V16-D295 CarbonylContact C-O 3.54Å; V16-D295 VanDerWaalsContact CA-O 3.31Å; V16-D295 WeakPolarHBondContact CA-O 3.17Å; V16-D295 WeakPolarHBondContact CG2-O 3.08Å; V16-P297 HydrophobicContact CG2-CG 4.32Å |
| 17 | H | 98.9 | Very high | 98.8 | Very high | 18 Ų | 18 | 22.8 Ų | 22.8 | 8% | 0.083 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.6 | -178 | -80 | -98.7 | 0 | 0 | 0 | 111.3 | D19 G20 S21 R101 H214 D295 D296 | H17-D19 IonicContact ND1-OD1 3.48Å; H17-G20 CarbonylContact O-C 3.47Å; H17-G20 PolarHBondContact O-N 2.97Å; H17-S21 WeakPolarHBondContact O-CB 3.06Å; H17-S21 PolarHBondContact O-N 3.04Å; H17-S21 VanDerWaalsContact O-N 3.15Å; H17-S21 PolarHBondContact O-OG 3.44Å; H17-R101 CarbonylContact C-O 3.56Å; H17-R101 VanDerWaalsContact CA-O 3.32Å; H17-R101 WeakPolarHBondContact CA-O 3.48Å; H17-R101 VanDerWaalsContact NE2-CD 3.28Å; H17-R101 WeakPolarHBondContact NE2-CD 3.45Å; H17-H214 AromaticContact NE2-CE1 3.47Å; H17-H214 PolarHBondContact NE2-CE1 3.36Å; H17-H214 AromaticContact NE2-NE2 3.42Å; H17-H214 PolarHBondContact NE2-NE2 3.01Å; H17-D295 IonicContact CD2-OD1 3.57Å; H17-D295 PolarHBondContact CD2-OD1 3.36Å; H17-D295 PolarHBondContact N-O 3.22Å; H17-D295 IonicContact NE2-OD1 3.32Å; H17-D296 WeakPolarHBondContact CB-OD1 3.49Å; H17-D296 IonicContact CD2-OD2 2.71Å; H17-D296 IonicContact CG-OD1 2.69Å |
| 18 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -65.5 | -46.7 | 178.5 | 180 | 59.7 | 0 | 0 | 0 | 111 | G20 S21 I22 I82 A83 F86 V100 R101 Y102 V133 | L18-G20 VanDerWaalsContact C-N 3.25Å; L18-G20 PolarHBondContact O-N 2.86Å; L18-S21 PolarHBondContact O-N 3.23Å; L18-S21 VanDerWaalsContact O-N 3.1Å; L18-I22 WeakPolarHBondContact O-CG1 3.4Å; L18-I82 HydrophobicContact CD1-CG1 4.37Å; L18-I82 HydrophobicContact CD2-CD1 4.26Å; L18-I82 HydrophobicContact CD2-CG1 4.28Å; L18-I82 HydrophobicContact CG-CD1 4.14Å; L18-I82 HydrophobicContact CG-CG1 4.28Å; L18-A83 HydrophobicContact CD2-CB 4.33Å; L18-F86 HydrophobicContact CD1-CB 3.67Å; L18-F86 HydrophobicContact CD1-CD2 4.2Å; L18-F86 HydrophobicContact CD1-CG 3.92Å; L18-V100 HydrophobicContact CB-CG2 3.61Å; L18-V100 HydrophobicContact CD1-CG2 4.31Å; L18-R101 PolarHBondContact N-O 3.43Å; L18-Y102 HydrophobicContact CB-CD1 4.42Å; L18-Y102 HydrophobicContact CD2-CD1 4.27Å; L18-Y102 HydrophobicContact CD2-CG 4.48Å; L18-V133 HydrophobicContact CD2-CG1 3.76Å; L18-V133 HydrophobicContact CD2-CG2 3.92Å |
| 19 | D | 98.8 | Very high | 98.9 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -63.8 | -32.5 | 175 | 39.5 | 1.3 | 0 | 0 | 0 | 111.7 | H17 S21 I22 F65 Y68 M69 | H17-D19 IonicContact ND1-OD1 3.48Å; D19-S21 VanDerWaalsContact C-N 3.29Å; D19-S21 PolarHBondContact O-N 2.97Å; D19-I22 WeakPolarHBondContact O-CG1 3.29Å; D19-F65 HydrophobicContact CB-CD1 4.47Å; D19-F65 HydrophobicContact CB-CE1 4.1Å; D19-Y68 VanDerWaalsContact O-CE2 3.24Å; D19-Y68 WeakPolarHBondContact O-CE2 3.19Å; D19-Y68 PolarHBondContact O-OH 3.4Å; D19-M69 HydrophobicContact CB-CE 3.89Å; D19-M69 HydrophobicContact CB-SD 3.71Å |
| 20 | G | 98.8 | Very high | 98.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -75.6 | 0.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | H17 L18 D296 P297 L298 | H17-G20 CarbonylContact O-C 3.47Å; H17-G20 PolarHBondContact O-N 2.97Å; L18-G20 VanDerWaalsContact C-N 3.25Å; L18-G20 PolarHBondContact O-N 2.86Å; G20-D296 WeakPolarHBondContact CA-OD1 3.33Å; G20-D296 CarbonylContact O-C 3.58Å; G20-D296 WeakPolarHBondContact O-CA 3.39Å; G20-P297 WeakPolarHBondContact O-CD 3.4Å; G20-L298 WeakPolarHBondContact O-CB 2.93Å; G20-L298 PolarHBondContact O-N 3.23Å |
| 21 | S | 98.9 | Very high | 98.9 | Very high | 22 Ų | 22 | 17.2 Ų | 17.2 | 15% | 0.154 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -126.6 | 15 | -170.8 | -62.9 | 0 | 0 | 0 | 0 | 114.2 | V16 H17 L18 D19 P297 | V16-S21 VanDerWaalsContact CG2-OG 3.32Å; V16-S21 WeakPolarHBondContact CG2-OG 3.41Å; H17-S21 WeakPolarHBondContact O-CB 3.06Å; H17-S21 PolarHBondContact O-N 3.04Å; H17-S21 VanDerWaalsContact O-N 3.15Å; H17-S21 PolarHBondContact O-OG 3.44Å; L18-S21 PolarHBondContact O-N 3.23Å; L18-S21 VanDerWaalsContact O-N 3.1Å; D19-S21 VanDerWaalsContact C-N 3.29Å; D19-S21 PolarHBondContact O-N 2.97Å; S21-P297 WeakPolarHBondContact OG-CD 3.48Å; S21-P297 VanDerWaalsContact OG-CG 3.23Å; S21-P297 WeakPolarHBondContact OG-CG 3.36Å |
| 22 | I | 98.9 | Very high | 98.9 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | trans | -74.1 | 137.8 | -172.9 | -51.7 | 177.7 | 0 | 0 | 0 | 110.8 | L18 D19 T26 I27 Y68 I72 I82 L298 | L18-I22 WeakPolarHBondContact O-CG1 3.4Å; D19-I22 WeakPolarHBondContact O-CG1 3.29Å; I22-T26 HydrophobicContact CG2-CG2 4.49Å; I22-I27 HydrophobicContact CB-CD1 4.12Å; I22-I27 HydrophobicContact CB-CG1 4.25Å; I22-I27 HydrophobicContact CG2-CD1 4.09Å; I22-I27 HydrophobicContact CG2-CG1 3.69Å; I22-Y68 HydrophobicContact CD1-CD2 4.28Å; I22-Y68 HydrophobicContact CD1-CE2 4.08Å; I22-I72 HydrophobicContact CD1-CB 4.47Å; I22-I72 HydrophobicContact CD1-CG1 3.93Å; I22-I72 HydrophobicContact CD1-CG2 4.25Å; I22-I72 HydrophobicContact CG2-CD1 4.48Å; I22-I82 HydrophobicContact CD1-CD1 4.06Å; I22-I82 HydrophobicContact CD1-CG2 4.39Å; I22-I82 HydrophobicContact CG1-CB 4.47Å; I22-I82 HydrophobicContact CG1-CD1 4.31Å; I22-I82 HydrophobicContact CG1-CG2 4.26Å; I22-I82 HydrophobicContact CG2-CG2 3.67Å; I22-L298 HydrophobicContact CB-CD2 4.35Å; I22-L298 WeakPolarHBondContact O-CD1 3.39Å | ||
| 23 | K | 98.9 | Very high | 98.8 | Very high | 44 Ų | 44 | 31.2 Ų | 31.2 | 19% | 0.191 | 14% | 0.135 | C | C | . | . | trans | -61.3 | 130.1 | 172.6 | -66.9 | -180 | -175.5 | 168.7 | 0 | 110.7 | E25 T26 I27 E85 E88 M89 | K23-E25 PolarHBondContact O-N 3.46Å; K23-T26 WeakPolarHBondContact O-CB 3.49Å; K23-T26 PolarHBondContact O-N 3.34Å; K23-I27 PolarHBondContact O-N 3.45Å; K23-I27 VanDerWaalsContact O-N 3.11Å; K23-E85 HydrophobicContact CD-CB 4.27Å; K23-E85 HydrophobicContact CD-CG 4.37Å; K23-E88 IonicContact NZ-OE2 3Å; K23-E88 PolarHBondContact NZ-OE2 3.3Å; K23-M89 HydrophobicContact CD-SD 4.5Å; K23-M89 WeakPolarHBondContact CE-SD 3.34Å; K23-M89 HydrophobicContact CG-CG 4.42Å | ||
| 24 | P | 98.8 | Very high | 98.8 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.4 | -36.4 | 175.2 | -27.5 | 34.5 | 0 | 0 | 0 | 113.7 | T26 I27 L28 A43 L47 L298 | P24-T26 VanDerWaalsContact C-N 3.3Å; P24-T26 PolarHBondContact O-N 3.5Å; P24-I27 PolarHBondContact O-N 3.25Å; P24-L28 WeakPolarHBondContact O-CB 3.31Å; P24-L28 PolarHBondContact O-N 3.13Å; P24-A43 HydrophobicContact CB-CB 3.78Å; P24-L47 HydrophobicContact CB-CG 4.32Å; P24-L47 HydrophobicContact CG-CD1 4.06Å; P24-L47 HydrophobicContact CG-CD2 3.59Å; P24-L47 HydrophobicContact CG-CG 3.71Å; P24-L298 HydrophobicContact CG-CD1 3.78Å |
| 25 | E | 98.8 | Very high | 98.8 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 55% | 0.551 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -64.5 | -34.1 | 176.2 | -64.5 | -63.5 | 172.6 | 0 | 0 | 112.7 | K23 Y29 A43 | K23-E25 PolarHBondContact O-N 3.46Å; E25-Y29 VanDerWaalsContact O-CB 3.28Å; E25-Y29 WeakPolarHBondContact O-CB 3.45Å; E25-Y29 PolarHBondContact O-N 3.02Å; E25-A43 VanDerWaalsContact CD-CB 3.45Å; E25-A43 HydrophobicContact CG-CB 4.05Å; E25-A43 WeakPolarHBondContact OE1-CB 3.43Å |
| 26 | T | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73 | -39.7 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 111 | I22 K23 P24 Y29 Y30 I82 E85 | I22-T26 HydrophobicContact CG2-CG2 4.49Å; K23-T26 WeakPolarHBondContact O-CB 3.49Å; K23-T26 PolarHBondContact O-N 3.34Å; P24-T26 VanDerWaalsContact C-N 3.3Å; P24-T26 PolarHBondContact O-N 3.5Å; T26-Y29 PolarHBondContact O-N 3.44Å; T26-Y30 HydrophobicContact CG2-CD2 3.74Å; T26-Y30 HydrophobicContact CG2-CE2 3.74Å; T26-Y30 WeakPolarHBondContact O-CD2 3.42Å; T26-Y30 PolarHBondContact O-N 3.47Å; T26-I82 HydrophobicContact CG2-CG2 4.07Å; T26-E85 WeakPolarHBondContact CB-OE2 3.5Å; T26-E85 VanDerWaalsContact OG1-CD 3.31Å; T26-E85 PolarHBondContact OG1-OE1 3.02Å; T26-E85 PolarHBondContact OG1-OE2 3.31Å |
| 27 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.3 | -52.2 | 170.3 | -67.5 | 162.1 | 0 | 0 | 0 | 109.9 | I22 K23 P24 Y29 Y30 G31 L38 L46 Y68 A71 I72 L298 | I22-I27 HydrophobicContact CB-CD1 4.12Å; I22-I27 HydrophobicContact CB-CG1 4.25Å; I22-I27 HydrophobicContact CG2-CD1 4.09Å; I22-I27 HydrophobicContact CG2-CG1 3.69Å; K23-I27 PolarHBondContact O-N 3.45Å; K23-I27 VanDerWaalsContact O-N 3.11Å; P24-I27 PolarHBondContact O-N 3.25Å; I27-Y29 VanDerWaalsContact C-N 3.32Å; I27-Y29 PolarHBondContact O-N 2.94Å; I27-Y30 PolarHBondContact O-N 3.21Å; I27-G31 PolarHBondContact O-N 3.18Å; I27-L38 HydrophobicContact CG2-CD1 4.02Å; I27-L38 HydrophobicContact CG2-CD2 3.72Å; I27-L46 HydrophobicContact CB-CD1 4.42Å; I27-L46 HydrophobicContact CG2-CD1 4.07Å; I27-Y68 HydrophobicContact CD1-CD2 3.86Å; I27-Y68 HydrophobicContact CD1-CG 3.9Å; I27-Y68 HydrophobicContact CG1-CD2 4.37Å; I27-A71 HydrophobicContact CG2-CB 4.39Å; I27-I72 HydrophobicContact CG1-CD1 4.49Å; I27-L298 HydrophobicContact CD1-CD2 3.71Å |
| 28 | L | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | -178.9 | -174.7 | 63.6 | 0 | 0 | 0 | 112.2 | P24 R32 L38 L46 | P24-L28 WeakPolarHBondContact O-CB 3.31Å; P24-L28 PolarHBondContact O-N 3.13Å; L28-R32 WeakPolarHBondContact O-CB 3.42Å; L28-R32 PolarHBondContact O-N 3.38Å; L28-R32 VanDerWaalsContact O-N 3.08Å; L28-L38 HydrophobicContact CD1-CD1 4.2Å; L28-L46 HydrophobicContact CB-CD1 3.93Å; L28-L46 HydrophobicContact CD1-CD1 4.34Å |
| 29 | Y | 98.9 | Very high | 98.7 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.3 | -51.9 | 177.2 | 172.8 | -94.6 | 0 | 0 | 0 | 111.9 | E25 T26 I27 R32 R33 | E25-Y29 VanDerWaalsContact O-CB 3.28Å; E25-Y29 WeakPolarHBondContact O-CB 3.45Å; E25-Y29 PolarHBondContact O-N 3.02Å; T26-Y29 PolarHBondContact O-N 3.44Å; I27-Y29 VanDerWaalsContact C-N 3.32Å; I27-Y29 PolarHBondContact O-N 2.94Å; Y29-R32 PolarHBondContact O-N 3.19Å; Y29-R33 VanDerWaalsContact O-CB 3.32Å; Y29-R33 WeakPolarHBondContact O-CB 3.38Å; Y29-R33 PolarHBondContact O-N 3.4Å; Y29-R33 WeakPolarHBondContact OH-CD 3.37Å; Y29-R33 PolarHBondContact OH-NH1 2.72Å |
| 30 | Y | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.9 | -33.8 | -177.7 | -76.8 | -66.3 | 0 | 0 | 0 | 113.1 | T26 I27 R32 R33 R34 A71 I72 E77 A78 | T26-Y30 HydrophobicContact CG2-CD2 3.74Å; T26-Y30 HydrophobicContact CG2-CE2 3.74Å; T26-Y30 WeakPolarHBondContact O-CD2 3.42Å; T26-Y30 PolarHBondContact O-N 3.47Å; I27-Y30 PolarHBondContact O-N 3.21Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.22Å; Y30-R33 PolarHBondContact O-N 3.27Å; Y30-R34 VanDerWaalsContact O-CB 3.24Å; Y30-R34 WeakPolarHBondContact O-CB 3.44Å; Y30-R34 VanDerWaalsContact O-CG 3.27Å; Y30-R34 WeakPolarHBondContact O-CG 3.31Å; Y30-R34 PolarHBondContact O-N 2.89Å; Y30-A71 WeakPolarHBondContact CB-O 3.22Å; Y30-I72 HydrophobicContact CD2-CD1 4.08Å; Y30-E77 HydrophobicContact CE1-CB 4.21Å; Y30-E77 PolarHBondContact OH-O 3.39Å; Y30-E77 VanDerWaalsContact OH-O 3.13Å; Y30-A78 HydrophobicContact CD1-CB 4Å; Y30-A78 HydrophobicContact CD2-CB 3.61Å; Y30-A78 HydrophobicContact CE1-CB 3.95Å; Y30-A78 VanDerWaalsContact CE2-CA 3.43Å; Y30-A78 HydrophobicContact CE2-CB 3.53Å; Y30-A78 HydrophobicContact CG-CB 3.84Å; Y30-A78 VanDerWaalsContact CZ-CA 3.41Å; Y30-A78 PolarHBondContact OH-N 3.09Å |
| 31 | G | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I27 G35 I36 | I27-G31 PolarHBondContact O-N 3.18Å; G31-G35 PolarHBondContact O-N 2.96Å; G31-I36 CarbonylContact C-O 3.57Å; G31-I36 PolarHBondContact O-N 2.88Å |
| 32 | R | 98.6 | Very high | 98.6 | Very high | 169 Ų | 169 | 58 Ų | 58 | 64% | 0.638 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.3 | -48.4 | 175.9 | -170.3 | -175.9 | -60.4 | 124.4 | 2.2 | 112.5 | L28 Y29 Y30 R34 G35 | L28-R32 WeakPolarHBondContact O-CB 3.42Å; L28-R32 PolarHBondContact O-N 3.38Å; L28-R32 VanDerWaalsContact O-N 3.08Å; Y29-R32 PolarHBondContact O-N 3.19Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.22Å; R32-R34 VanDerWaalsContact C-N 3.27Å; R32-R34 PolarHBondContact O-N 3.07Å; R32-G35 PolarHBondContact O-N 3.3Å |
| 33 | R | 98.7 | Very high | 98.6 | Very high | 132 Ų | 132 | 58.4 Ų | 58.4 | 50% | 0.498 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -33.3 | -176.5 | -179.4 | 169.4 | 175.8 | -169.5 | -14.5 | 112.6 | Y29 Y30 E77 | Y29-R33 VanDerWaalsContact O-CB 3.32Å; Y29-R33 WeakPolarHBondContact O-CB 3.38Å; Y29-R33 PolarHBondContact O-N 3.4Å; Y29-R33 WeakPolarHBondContact OH-CD 3.37Å; Y29-R33 PolarHBondContact OH-NH1 2.72Å; Y30-R33 PolarHBondContact O-N 3.27Å; R33-E77 IonicContact CZ-OE2 2.86Å; R33-E77 IonicContact NH1-OE2 2.71Å; R33-E77 PolarHBondContact NH1-OE2 2.85Å; R33-E77 IonicContact NH2-OE1 3.19Å; R33-E77 PolarHBondContact NH2-OE1 3.24Å; R33-E77 VanDerWaalsContact NH2-OE1 3.1Å; R33-E77 IonicContact NH2-OE2 2.8Å; R33-E77 PolarHBondContact NH2-OE2 3Å |
| 34 | R | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 63.1 Ų | 63.1 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -95.8 | -3.9 | -178 | -61.3 | 173.1 | 64.2 | -172.9 | 1.1 | 113.5 | Y30 R32 I36 P70 A71 I72 A73 | Y30-R34 VanDerWaalsContact O-CB 3.24Å; Y30-R34 WeakPolarHBondContact O-CB 3.44Å; Y30-R34 VanDerWaalsContact O-CG 3.27Å; Y30-R34 WeakPolarHBondContact O-CG 3.31Å; Y30-R34 PolarHBondContact O-N 2.89Å; R32-R34 VanDerWaalsContact C-N 3.27Å; R32-R34 PolarHBondContact O-N 3.07Å; R34-I36 VanDerWaalsContact C-N 3.27Å; R34-I36 HydrophobicContact CB-CD1 3.98Å; R34-I36 HydrophobicContact CB-CG1 3.98Å; R34-I36 PolarHBondContact O-N 2.76Å; R34-P70 PolarHBondContact NH1-O 2.77Å; R34-A71 WeakPolarHBondContact CD-O 3.48Å; R34-A71 PolarHBondContact NH1-O 3.43Å; R34-I72 VanDerWaalsContact NH1-C 3.31Å; R34-I72 PolarHBondContact NH1-O 3.27Å; R34-A73 VanDerWaalsContact CZ-O 3.25Å; R34-A73 PolarHBondContact NH1-O 3.42Å; R34-A73 PolarHBondContact NH2-O 3.31Å |
| 35 | G | 98.6 | Very high | 98.6 | Very high | 71 Ų | 71 | 62.8 Ų | 62.8 | 73% | 0.732 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 28.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G31 R32 | G31-G35 PolarHBondContact O-N 2.96Å; R32-G35 PolarHBondContact O-N 3.3Å |
| 36 | I | 98.7 | Very high | 98.5 | Very high | 49 Ų | 49 | 57.2 Ų | 57.2 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | trans | -95.2 | 126.2 | 179.3 | -63.5 | 178.6 | 0 | 0 | 0 | 108.3 | G31 R34 P70 | G31-I36 CarbonylContact C-O 3.57Å; G31-I36 PolarHBondContact O-N 2.88Å; R34-I36 VanDerWaalsContact C-N 3.27Å; R34-I36 HydrophobicContact CB-CD1 3.98Å; R34-I36 HydrophobicContact CB-CG1 3.98Å; R34-I36 PolarHBondContact O-N 2.76Å; I36-P70 WeakPolarHBondContact CD1-O 3.5Å; I36-P70 HydrophobicContact CG2-CB 3.86Å | ||
| 37 | A | 98.4 | Very high | 98.5 | Very high | 96 Ų | 96 | 59.6 Ų | 59.6 | 79% | 0.793 | 32% | 0.323 | S | S | * | . | trans | -62.4 | 140.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 38 | L | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 65 Ų | 65 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | trans | -124.9 | 152.4 | 174.8 | -76 | 173.9 | 0 | 0 | 0 | 109 | I27 L28 A40 L46 A71 | I27-L38 HydrophobicContact CG2-CD1 4.02Å; I27-L38 HydrophobicContact CG2-CD2 3.72Å; L28-L38 HydrophobicContact CD1-CD1 4.2Å; L38-A40 PolarHBondContact O-N 3.1Å; L38-L46 HydrophobicContact CB-CD2 4.2Å; L38-L46 HydrophobicContact CD1-CD1 4.41Å; L38-L46 HydrophobicContact CD1-CD2 4.49Å; L38-L46 HydrophobicContact CD2-CD2 4.4Å; L38-A71 HydrophobicContact CD2-CB 4.1Å | ||
| 39 | P | 98.3 | Very high | 98.4 | Very high | 57 Ų | 57 | 66.4 Ų | 66.4 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -72.9 | -7.6 | -178.2 | 32.2 | -38.1 | 0 | 0 | 0 | 113.5 | L46 V49 Y67 | P39-L46 HydrophobicContact CG-CD2 4.08Å; P39-V49 HydrophobicContact CB-CB 4.41Å; P39-V49 HydrophobicContact CB-CG1 3.86Å; P39-V49 HydrophobicContact CB-CG2 4.33Å; P39-V49 HydrophobicContact CG-CB 4.26Å; P39-V49 HydrophobicContact CG-CG1 3.87Å; P39-Y67 HydrophobicContact CB-CD1 4.03Å; P39-Y67 HydrophobicContact CB-CE1 4.48Å; P39-Y67 HydrophobicContact CG-CD1 3.8Å; P39-Y67 HydrophobicContact CG-CG 4.23Å |
| 40 | A | 98.4 | Very high | 98.3 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | trans | -149.9 | 162.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L38 L46 | L38-A40 PolarHBondContact O-N 3.1Å; A40-L46 HydrophobicContact CB-CD2 4.05Å; A40-L46 HydrophobicContact CB-CG 4.07Å | ||
| 41 | N | 97.6 | Very high | 98.3 | Very high | 127 Ų | 127 | 62.3 Ų | 62.3 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -111.8 | 6 | -176 | 66.1 | -10.3 | 0 | 0 | 0 | 114.3 | ||
| 42 | T | 98.6 | Very high | 98.3 | Very high | 69 Ų | 69 | 62.5 Ų | 62.5 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -134.4 | 155.1 | 174.8 | 61.6 | 0 | 0 | 0 | 0 | 109.6 | E44 G45 L46 | T42-E44 VanDerWaalsContact C-N 3.35Å; T42-E44 PolarHBondContact O-N 3.23Å; T42-G45 PolarHBondContact O-N 2.88Å; T42-G45 PolarHBondContact OG1-N 2.79Å; T42-G45 VanDerWaalsContact OG1-N 3.1Å; T42-L46 WeakPolarHBondContact O-CG 3.47Å; T42-L46 PolarHBondContact O-N 3.41Å |
| 43 | A | 98.1 | Very high | 98.1 | Very high | 14 Ų | 14 | 59.5 Ų | 59.5 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | P24 E25 L46 L47 | P24-A43 HydrophobicContact CB-CB 3.78Å; E25-A43 VanDerWaalsContact CD-CB 3.45Å; E25-A43 HydrophobicContact CG-CB 4.05Å; E25-A43 WeakPolarHBondContact OE1-CB 3.43Å; A43-L46 WeakPolarHBondContact O-CB 3.4Å; A43-L46 PolarHBondContact O-N 2.88Å; A43-L47 WeakPolarHBondContact O-CG 3.35Å; A43-L47 PolarHBondContact O-N 3.25Å |
| 44 | E | 98.4 | Very high | 98.1 | Very high | 144 Ų | 144 | 60.9 Ų | 60.9 | 67% | 0.673 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 175.3 | -175.1 | -179.3 | 179.1 | 0 | 0 | 111.5 | T42 L46 L47 N48 | T42-E44 VanDerWaalsContact C-N 3.35Å; T42-E44 PolarHBondContact O-N 3.23Å; E44-L46 VanDerWaalsContact C-N 3.3Å; E44-L46 PolarHBondContact O-N 3.44Å; E44-L47 PolarHBondContact O-N 3.07Å; E44-N48 VanDerWaalsContact O-CG 3.3Å; E44-N48 PolarHBondContact O-N 3.45Å; E44-N48 PolarHBondContact O-ND2 3.49Å |
| 45 | G | 98.4 | Very high | 98.1 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 19% | 0.186 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T42 N48 V49 | T42-G45 PolarHBondContact O-N 2.88Å; T42-G45 PolarHBondContact OG1-N 2.79Å; T42-G45 VanDerWaalsContact OG1-N 3.1Å; G45-N48 PolarHBondContact O-N 2.88Å; G45-V49 PolarHBondContact O-N 3.02Å |
| 46 | L | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.3 | -77 | 172.8 | 0 | 0 | 0 | 111.4 | I27 L28 L38 P39 A40 T42 A43 E44 N48 V49 I50 | I27-L46 HydrophobicContact CB-CD1 4.42Å; I27-L46 HydrophobicContact CG2-CD1 4.07Å; L28-L46 HydrophobicContact CB-CD1 3.93Å; L28-L46 HydrophobicContact CD1-CD1 4.34Å; L38-L46 HydrophobicContact CB-CD2 4.2Å; L38-L46 HydrophobicContact CD1-CD1 4.41Å; L38-L46 HydrophobicContact CD1-CD2 4.49Å; L38-L46 HydrophobicContact CD2-CD2 4.4Å; P39-L46 HydrophobicContact CG-CD2 4.08Å; A40-L46 HydrophobicContact CB-CD2 4.05Å; A40-L46 HydrophobicContact CB-CG 4.07Å; T42-L46 WeakPolarHBondContact O-CG 3.47Å; T42-L46 PolarHBondContact O-N 3.41Å; A43-L46 WeakPolarHBondContact O-CB 3.4Å; A43-L46 PolarHBondContact O-N 2.88Å; E44-L46 VanDerWaalsContact C-N 3.3Å; E44-L46 PolarHBondContact O-N 3.44Å; L46-N48 VanDerWaalsContact C-N 3.26Å; L46-N48 PolarHBondContact O-N 2.95Å; L46-V49 PolarHBondContact O-N 2.79Å; L46-V49 VanDerWaalsContact O-N 3.09Å; L46-I50 HydrophobicContact CB-CD1 4.18Å; L46-I50 HydrophobicContact CD2-CD1 4.24Å; L46-I50 WeakPolarHBondContact O-CB 3.47Å; L46-I50 WeakPolarHBondContact O-CG1 3.37Å; L46-I50 PolarHBondContact O-N 2.95Å |
| 47 | L | 97.8 | Very high | 98 | Very high | 52 Ų | 52 | 60.6 Ų | 60.6 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -32.4 | 177 | -73.9 | 176.4 | 0 | 0 | 0 | 112.7 | P24 A43 E44 V49 G51 L298 K301 | P24-L47 HydrophobicContact CB-CG 4.32Å; P24-L47 HydrophobicContact CG-CD1 4.06Å; P24-L47 HydrophobicContact CG-CD2 3.59Å; P24-L47 HydrophobicContact CG-CG 3.71Å; A43-L47 WeakPolarHBondContact O-CG 3.35Å; A43-L47 PolarHBondContact O-N 3.25Å; E44-L47 PolarHBondContact O-N 3.07Å; L47-V49 VanDerWaalsContact C-N 3.28Å; L47-V49 PolarHBondContact O-N 3.3Å; L47-G51 VanDerWaalsContact O-CA 3.23Å; L47-G51 WeakPolarHBondContact O-CA 3.34Å; L47-G51 PolarHBondContact O-N 3.14Å; L47-L298 HydrophobicContact CD2-CD1 3.75Å; L47-K301 HydrophobicContact CD2-CG 4.47Å |
| 48 | N | 97.9 | Very high | 98 | Very high | 113 Ų | 113 | 56.4 Ų | 56.4 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.7 | -27.5 | 175.1 | -70.9 | -25.1 | 0 | 0 | 0 | 113.1 | E44 G45 L46 | E44-N48 VanDerWaalsContact O-CG 3.3Å; E44-N48 PolarHBondContact O-N 3.45Å; E44-N48 PolarHBondContact O-ND2 3.49Å; G45-N48 PolarHBondContact O-N 2.88Å; L46-N48 VanDerWaalsContact C-N 3.26Å; L46-N48 PolarHBondContact O-N 2.95Å |
| 49 | V | 98 | Very high | 97.9 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 28% | 0.279 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -90.8 | -49.2 | 178.3 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | P39 G45 L46 L47 K64 Y67 | P39-V49 HydrophobicContact CB-CB 4.41Å; P39-V49 HydrophobicContact CB-CG1 3.86Å; P39-V49 HydrophobicContact CB-CG2 4.33Å; P39-V49 HydrophobicContact CG-CB 4.26Å; P39-V49 HydrophobicContact CG-CG1 3.87Å; G45-V49 PolarHBondContact O-N 3.02Å; L46-V49 PolarHBondContact O-N 2.79Å; L46-V49 VanDerWaalsContact O-N 3.09Å; L47-V49 VanDerWaalsContact C-N 3.28Å; L47-V49 PolarHBondContact O-N 3.3Å; V49-K64 PolarHBondContact O-NZ 2.9Å; V49-Y67 HydrophobicContact CG1-CD1 4.06Å; V49-Y67 HydrophobicContact CG1-CD2 4.33Å; V49-Y67 HydrophobicContact CG1-CE1 3.97Å; V49-Y67 HydrophobicContact CG1-CE2 4.28Å; V49-Y67 HydrophobicContact CG1-CG 4.25Å |
| 50 | I | 97.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.7 | -41.5 | -175.5 | -62.3 | 167 | 0 | 0 | 0 | 110 | L46 K64 Y68 L298 I299 | L46-I50 HydrophobicContact CB-CD1 4.18Å; L46-I50 HydrophobicContact CD2-CD1 4.24Å; L46-I50 WeakPolarHBondContact O-CB 3.47Å; L46-I50 WeakPolarHBondContact O-CG1 3.37Å; L46-I50 PolarHBondContact O-N 2.95Å; I50-K64 VanDerWaalsContact O-CD 3.3Å; I50-K64 WeakPolarHBondContact O-CD 3.36Å; I50-K64 WeakPolarHBondContact O-CE 3.33Å; I50-Y68 HydrophobicContact CD1-CD1 3.8Å; I50-Y68 HydrophobicContact CD1-CG 4.19Å; I50-Y68 HydrophobicContact CG1-CD1 4.13Å; I50-Y68 HydrophobicContact CG2-CD1 3.89Å; I50-Y68 HydrophobicContact CG2-CE1 3.87Å; I50-L298 HydrophobicContact CG2-CG 4.27Å; I50-I299 HydrophobicContact CG2-CG1 3.93Å |
| 51 | G | 97.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | trans | -67.5 | 157.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L47 I299 | L47-G51 VanDerWaalsContact O-CA 3.23Å; L47-G51 WeakPolarHBondContact O-CA 3.34Å; L47-G51 PolarHBondContact O-N 3.14Å; G51-I299 CarbonylContact C-O 3.48Å; G51-I299 WeakPolarHBondContact CA-O 3.43Å | ||
| 52 | M | 98.2 | Very high | 98 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | trans | -124 | 125.8 | 176.6 | -68.2 | 174.2 | 54.2 | 0 | 0 | 110.2 | L56 F61 K64 L268 I299 | M52-L56 HydrophobicContact CE-CB 3.75Å; M52-L56 HydrophobicContact CE-CD1 3.78Å; M52-L56 HydrophobicContact CE-CG 3.82Å; M52-L56 HydrophobicContact CG-CD1 4.38Å; M52-L56 HydrophobicContact SD-CD1 4.24Å; M52-F61 HydrophobicContact CE-CB 4.14Å; M52-F61 HydrophobicContact SD-CB 3.9Å; M52-F61 HydrophobicContact SD-CD2 4.06Å; M52-F61 HydrophobicContact SD-CG 4.5Å; M52-K64 HydrophobicContact SD-CG 4.13Å; M52-L268 HydrophobicContact CB-CD1 4.3Å; M52-L268 HydrophobicContact CB-CD2 4.49Å; M52-L268 HydrophobicContact CE-CB 4.34Å; M52-L268 WeakPolarHBondContact CE-O 3.49Å; M52-L268 WeakPolarHBondContact O-CD1 3.29Å; M52-I299 HydrophobicContact CG-CG2 4.06Å; M52-I299 PolarHBondContact N-O 2.94Å; M52-I299 HydrophobicContact SD-CG2 3.8Å | ||
| 53 | D | 96.3 | Very high | 98 | Very high | 107 Ų | 107 | 52.9 Ų | 52.9 | 57% | 0.572 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -109 | -8.4 | 174.4 | -68 | -58 | 0 | 0 | 0 | 113.1 | K301 | D53-K301 WeakPolarHBondContact OD1-CE 3.29Å; D53-K301 IonicContact OD1-NZ 2.8Å; D53-K301 PolarHBondContact OD1-NZ 3.28Å; D53-K301 IonicContact OD2-NZ 3.48Å; D53-K301 PolarHBondContact OD2-NZ 3.33Å |
| 54 | K | 97.8 | Very high | 98 | Very high | 161 Ų | 161 | 53.8 Ų | 53.8 | 70% | 0.7 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -136 | 150.7 | -175.9 | -67.5 | -175 | 179.3 | 179.6 | 0 | 109.7 | L56 | K54-L56 PolarHBondContact O-N 3.26Š|
| 55 | P | 98 | Very high | 98 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 33% | 0.331 | 27% | 0.266 | S | S | . | . | trans | -56.5 | 131.5 | 174.4 | -23.8 | 34.5 | 0 | 0 | 0 | 111.2 | Y267 L268 | P55-Y267 VanDerWaalsContact CB-O 3.3Å; P55-Y267 WeakPolarHBondContact CB-O 3.44Å; P55-Y267 WeakPolarHBondContact CD-OH 3.44Å; P55-Y267 HydrophobicContact CG-CD1 4.49Å; P55-Y267 HydrophobicContact CG-CD2 3.96Å; P55-Y267 HydrophobicContact CG-CE1 4.07Å; P55-Y267 HydrophobicContact CG-CE2 3.49Å; P55-Y267 VanDerWaalsContact CG-CE2 3.49Å; P55-Y267 HydrophobicContact CG-CG 4.44Å; P55-Y267 WeakPolarHBondContact CG-O 3.31Å; P55-L268 WeakPolarHBondContact CA-O 3.28Å | ||
| 56 | L | 98.3 | Very high | 98 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | trans | -117.6 | -136.2 | 165 | -61.7 | 177.3 | 0 | 0 | 0 | 108.2 | M52 K54 D60 L268 | M52-L56 HydrophobicContact CE-CB 3.75Å; M52-L56 HydrophobicContact CE-CD1 3.78Å; M52-L56 HydrophobicContact CE-CG 3.82Å; M52-L56 HydrophobicContact CG-CD1 4.38Å; M52-L56 HydrophobicContact SD-CD1 4.24Å; K54-L56 PolarHBondContact O-N 3.26Å; L56-D60 HydrophobicContact CB-CB 3.76Å; L56-D60 HydrophobicContact CD1-CB 3.93Å; L56-D60 HydrophobicContact CG-CB 4.42Å; L56-L268 PolarHBondContact N-O 3.33Å | ||
| 57 | T | 98.3 | Very high | 98 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | trans | -123.6 | 161.5 | 174 | 65.3 | 0 | 0 | 0 | 0 | 109.4 | P59 D60 F61 T269 | T57-P59 VanDerWaalsContact C-N 3.35Å; T57-D60 PolarHBondContact O-N 2.89Å; T57-D60 PolarHBondContact OG1-N 2.93Å; T57-D60 PolarHBondContact OG1-OD2 3.12Å; T57-F61 PolarHBondContact O-N 2.75Å; T57-T269 CarbonylContact C-O 3.28Å; T57-T269 WeakPolarHBondContact CA-O 3.33Å | ||
| 58 | L | 97.1 | Very high | 98.1 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.6 | -45.1 | 173.8 | 179.3 | 70.7 | 0 | 0 | 0 | 112.3 | D60 F61 L62 E186 V218 T269 | L58-D60 PolarHBondContact O-N 2.88Å; L58-F61 HydrophobicContact CD1-CD1 3.88Å; L58-F61 HydrophobicContact CD1-CE1 4.32Å; L58-F61 WeakPolarHBondContact O-CB 3.35Å; L58-F61 PolarHBondContact O-N 2.83Å; L58-L62 HydrophobicContact CD1-CD1 4.37Å; L58-L62 HydrophobicContact CD1-CG 4.34Å; L58-L62 HydrophobicContact CG-CD1 4.01Å; L58-L62 HydrophobicContact CG-CG 4.4Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.06Å; L58-E186 HydrophobicContact CD2-CB 4.32Å; L58-V218 HydrophobicContact CB-CG1 4.05Å; L58-V218 HydrophobicContact CB-CG2 4.23Å; L58-V218 HydrophobicContact CD2-CG2 3.56Å; L58-T269 PolarHBondContact N-O 2.98Å |
| 59 | P | 97.9 | Very high | 98.1 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 174.5 | -27.3 | 36.7 | 0 | 0 | 0 | 114.7 | T57 F61 L62 A63 | T57-P59 VanDerWaalsContact C-N 3.35Å; P59-F61 VanDerWaalsContact C-N 3.31Å; P59-F61 PolarHBondContact O-N 2.9Å; P59-L62 PolarHBondContact O-N 2.8Å; P59-A63 WeakPolarHBondContact O-CB 3.26Å; P59-A63 PolarHBondContact O-N 2.79Å |
| 60 | D | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 47.8 Ų | 47.8 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 177.9 | -67 | -41.1 | 0 | 0 | 0 | 112.1 | L56 T57 L58 | L56-D60 HydrophobicContact CB-CB 3.76Å; L56-D60 HydrophobicContact CD1-CB 3.93Å; L56-D60 HydrophobicContact CG-CB 4.42Å; T57-D60 PolarHBondContact O-N 2.89Å; T57-D60 PolarHBondContact OG1-N 2.93Å; T57-D60 PolarHBondContact OG1-OD2 3.12Å; L58-D60 PolarHBondContact O-N 2.88Å |
| 61 | F | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -49.4 | 171.2 | 155.1 | -98.7 | 0 | 0 | 0 | 111.1 | M52 T57 L58 P59 A63 K64 F65 T269 D296 I299 F300 | M52-F61 HydrophobicContact CE-CB 4.14Å; M52-F61 HydrophobicContact SD-CB 3.9Å; M52-F61 HydrophobicContact SD-CD2 4.06Å; M52-F61 HydrophobicContact SD-CG 4.5Å; T57-F61 PolarHBondContact O-N 2.75Å; L58-F61 HydrophobicContact CD1-CD1 3.88Å; L58-F61 HydrophobicContact CD1-CE1 4.32Å; L58-F61 WeakPolarHBondContact O-CB 3.35Å; L58-F61 PolarHBondContact O-N 2.83Å; P59-F61 VanDerWaalsContact C-N 3.31Å; P59-F61 PolarHBondContact O-N 2.9Å; F61-A63 PolarHBondContact O-N 2.99Å; F61-K64 WeakPolarHBondContact O-CB 3.49Å; F61-K64 VanDerWaalsContact O-CG 3.28Å; F61-K64 WeakPolarHBondContact O-CG 3.39Å; F61-K64 PolarHBondContact O-N 2.76Å; F61-F65 HydrophobicContact CE1-CE2 4.19Å; F61-F65 HydrophobicContact CE2-CE2 4.26Å; F61-F65 AromaticContact CZ-CE2 3.79Å; F61-F65 HydrophobicContact CZ-CE2 3.79Å; F61-F65 HydrophobicContact CZ-CZ 4.3Å; F61-T269 HydrophobicContact CB-CG2 4.3Å; F61-T269 HydrophobicContact CD1-CG2 4.19Å; F61-T269 HydrophobicContact CD2-CG2 4.49Å; F61-T269 HydrophobicContact CG-CG2 4.05Å; F61-D296 HydrophobicContact CE2-CB 3.86Å; F61-D296 HydrophobicContact CZ-CB 3.95Å; F61-D296 VanDerWaalsContact CZ-OD2 3.29Å; F61-D296 WeakPolarHBondContact CZ-OD2 3.38Å; F61-I299 HydrophobicContact CD2-CB 4.45Å; F61-I299 HydrophobicContact CD2-CD1 4.31Å; F61-I299 HydrophobicContact CD2-CG2 3.73Å; F61-I299 HydrophobicContact CE2-CB 4.08Å; F61-I299 HydrophobicContact CE2-CD1 3.66Å; F61-I299 HydrophobicContact CE2-CG1 4.48Å; F61-I299 HydrophobicContact CE2-CG2 3.87Å; F61-I299 HydrophobicContact CZ-CD1 4.29Å; F61-F300 HydrophobicContact CD2-CD1 4.46Å; F61-F300 AromaticContact CD2-CE1 3.42Å; F61-F300 HydrophobicContact CD2-CE1 3.42Å; F61-F300 VanDerWaalsContact CD2-CE1 3.42Å; F61-F300 AromaticContact CD2-CZ 3.55Å; F61-F300 HydrophobicContact CD2-CZ 3.55Å; F61-F300 HydrophobicContact CE2-CD1 4.48Å; F61-F300 AromaticContact CE2-CE1 3.55Å; F61-F300 HydrophobicContact CE2-CE1 3.55Å; F61-F300 HydrophobicContact CE2-CE2 4.03Å; F61-F300 AromaticContact CE2-CZ 3.27Å; F61-F300 HydrophobicContact CE2-CZ 3.27Å; F61-F300 HydrophobicContact CG-CE1 4.34Å; F61-F300 HydrophobicContact CG-CZ 4.34Å; F61-F300 HydrophobicContact CZ-CE2 4.46Å; F61-F300 AromaticContact CZ-CZ 3.87Å; F61-F300 HydrophobicContact CZ-CZ 3.87Å |
| 62 | L | 98 | Very high | 98.3 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -33.1 | 179.2 | -71 | 170.6 | 0 | 0 | 0 | 112 | L58 P59 K64 F65 D185 | L58-L62 HydrophobicContact CD1-CD1 4.37Å; L58-L62 HydrophobicContact CD1-CG 4.34Å; L58-L62 HydrophobicContact CG-CD1 4.01Å; L58-L62 HydrophobicContact CG-CG 4.4Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.06Å; P59-L62 PolarHBondContact O-N 2.8Å; L62-K64 PolarHBondContact O-N 2.83Å; L62-K64 VanDerWaalsContact O-N 3.16Å; L62-F65 VanDerWaalsContact O-CD2 3.31Å; L62-F65 WeakPolarHBondContact O-CD2 3.34Å; L62-F65 PolarHBondContact O-N 3.41Å; L62-D185 HydrophobicContact CD1-CB 4.09Å |
| 63 | A | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 47 Ų | 47 | 38% | 0.38 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -64.8 | -14.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P59 F61 F65 D66 | P59-A63 WeakPolarHBondContact O-CB 3.26Å; P59-A63 PolarHBondContact O-N 2.79Å; F61-A63 PolarHBondContact O-N 2.99Å; A63-F65 PolarHBondContact O-N 3.36Å; A63-D66 WeakPolarHBondContact O-CB 3.31Å; A63-D66 PolarHBondContact O-N 3.33Å |
| 64 | K | 98.7 | Very high | 98.5 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 14% | 0.143 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -66.8 | -26 | 175.7 | -63.1 | -59.9 | -161.3 | 165.3 | 0 | 112.9 | V49 I50 M52 F61 L62 D66 Y67 Y68 I299 | V49-K64 PolarHBondContact O-NZ 2.9Å; I50-K64 VanDerWaalsContact O-CD 3.3Å; I50-K64 WeakPolarHBondContact O-CD 3.36Å; I50-K64 WeakPolarHBondContact O-CE 3.33Å; M52-K64 HydrophobicContact SD-CG 4.13Å; F61-K64 WeakPolarHBondContact O-CB 3.49Å; F61-K64 VanDerWaalsContact O-CG 3.28Å; F61-K64 WeakPolarHBondContact O-CG 3.39Å; F61-K64 PolarHBondContact O-N 2.76Å; L62-K64 PolarHBondContact O-N 2.83Å; L62-K64 VanDerWaalsContact O-N 3.16Å; K64-D66 VanDerWaalsContact C-N 3.26Å; K64-D66 PolarHBondContact O-N 3.29Å; K64-Y67 HydrophobicContact CD-CD2 4.32Å; K64-Y67 HydrophobicContact CD-CE2 4.11Å; K64-Y67 WeakPolarHBondContact O-CD2 3.49Å; K64-Y67 PolarHBondContact O-N 3.38Å; K64-Y68 WeakPolarHBondContact O-CD1 3.28Å; K64-Y68 WeakPolarHBondContact O-CE1 3.36Å; K64-I299 HydrophobicContact CB-CD1 4.03Å; K64-I299 HydrophobicContact CB-CG1 4.22Å; K64-I299 HydrophobicContact CB-CG2 4.13Å; K64-I299 HydrophobicContact CG-CG2 3.96Å |
| 65 | F | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -64.3 | -31.5 | 179.9 | -73.6 | -102.8 | 0 | 0 | 0 | 112.3 | D19 F61 L62 A63 Y67 Y68 M69 W117 D296 I299 | D19-F65 HydrophobicContact CB-CD1 4.47Å; D19-F65 HydrophobicContact CB-CE1 4.1Å; F61-F65 HydrophobicContact CE1-CE2 4.19Å; F61-F65 HydrophobicContact CE2-CE2 4.26Å; F61-F65 AromaticContact CZ-CE2 3.79Å; F61-F65 HydrophobicContact CZ-CE2 3.79Å; F61-F65 HydrophobicContact CZ-CZ 4.3Å; L62-F65 VanDerWaalsContact O-CD2 3.31Å; L62-F65 WeakPolarHBondContact O-CD2 3.34Å; L62-F65 PolarHBondContact O-N 3.41Å; A63-F65 PolarHBondContact O-N 3.36Å; F65-Y67 PolarHBondContact O-N 3.33Å; F65-Y67 VanDerWaalsContact O-N 3.08Å; F65-Y68 AromaticContact CD1-CZ 3.86Å; F65-Y68 WeakPolarHBondContact CD1-OH 3.42Å; F65-Y68 WeakPolarHBondContact CE1-OH 3.45Å; F65-Y68 PolarHBondContact O-N 2.77Å; F65-M69 HydrophobicContact CB-CG 3.95Å; F65-M69 HydrophobicContact CD1-CG 4.04Å; F65-M69 HydrophobicContact CD1-SD 4.39Å; F65-M69 VanDerWaalsContact O-CB 3.31Å; F65-M69 WeakPolarHBondContact O-CB 3.44Å; F65-M69 VanDerWaalsContact O-CG 3.29Å; F65-M69 WeakPolarHBondContact O-CG 3.44Å; F65-M69 PolarHBondContact O-N 2.84Å; F65-W117 HydrophobicContact CB-CH2 3.96Å; F65-W117 HydrophobicContact CB-CZ3 4.46Å; F65-D296 VanDerWaalsContact CZ-OD1 3.27Å; F65-D296 WeakPolarHBondContact CZ-OD1 3.41Å; F65-I299 HydrophobicContact CD2-CD1 3.78Å; F65-I299 HydrophobicContact CE1-CD1 4.46Å; F65-I299 HydrophobicContact CE2-CD1 3.37Å; F65-I299 HydrophobicContact CZ-CD1 3.77Å |
| 66 | D | 98.5 | Very high | 98.5 | Very high | 98 Ų | 98 | 37.3 Ų | 37.3 | 52% | 0.524 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -55.7 | -29 | 178.4 | -67.4 | 17.2 | 0 | 0 | 0 | 112.8 | A63 K64 P70 W117 | A63-D66 WeakPolarHBondContact O-CB 3.31Å; A63-D66 PolarHBondContact O-N 3.33Å; K64-D66 VanDerWaalsContact C-N 3.26Å; K64-D66 PolarHBondContact O-N 3.29Å; D66-P70 WeakPolarHBondContact O-CD 3.35Å; D66-W117 WeakPolarHBondContact OD1-CZ3 3.18Å |
| 67 | Y | 98.8 | Very high | 98.6 | Very high | 102 Ų | 102 | 38.5 Ų | 38.5 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -72.3 | -29 | -176.4 | -71.9 | -62.8 | 0 | 0 | 0 | 114.4 | P39 V49 K64 F65 | P39-Y67 HydrophobicContact CB-CD1 4.03Å; P39-Y67 HydrophobicContact CB-CE1 4.48Å; P39-Y67 HydrophobicContact CG-CD1 3.8Å; P39-Y67 HydrophobicContact CG-CG 4.23Å; V49-Y67 HydrophobicContact CG1-CD1 4.06Å; V49-Y67 HydrophobicContact CG1-CD2 4.33Å; V49-Y67 HydrophobicContact CG1-CE1 3.97Å; V49-Y67 HydrophobicContact CG1-CE2 4.28Å; V49-Y67 HydrophobicContact CG1-CG 4.25Å; K64-Y67 HydrophobicContact CD-CD2 4.32Å; K64-Y67 HydrophobicContact CD-CE2 4.11Å; K64-Y67 WeakPolarHBondContact O-CD2 3.49Å; K64-Y67 PolarHBondContact O-N 3.38Å; F65-Y67 PolarHBondContact O-N 3.33Å; F65-Y67 VanDerWaalsContact O-N 3.08Å |
| 68 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132 | -24.8 | -168.3 | 67.1 | -94.6 | 0 | 0 | 0 | 114.6 | D19 I22 I27 I50 K64 F65 P70 A71 L298 I299 | D19-Y68 VanDerWaalsContact O-CE2 3.24Å; D19-Y68 WeakPolarHBondContact O-CE2 3.19Å; D19-Y68 PolarHBondContact O-OH 3.4Å; I22-Y68 HydrophobicContact CD1-CD2 4.28Å; I22-Y68 HydrophobicContact CD1-CE2 4.08Å; I27-Y68 HydrophobicContact CD1-CD2 3.86Å; I27-Y68 HydrophobicContact CD1-CG 3.9Å; I27-Y68 HydrophobicContact CG1-CD2 4.37Å; I50-Y68 HydrophobicContact CD1-CD1 3.8Å; I50-Y68 HydrophobicContact CD1-CG 4.19Å; I50-Y68 HydrophobicContact CG1-CD1 4.13Å; I50-Y68 HydrophobicContact CG2-CD1 3.89Å; I50-Y68 HydrophobicContact CG2-CE1 3.87Å; K64-Y68 WeakPolarHBondContact O-CD1 3.28Å; K64-Y68 WeakPolarHBondContact O-CE1 3.36Å; F65-Y68 AromaticContact CD1-CZ 3.86Å; F65-Y68 WeakPolarHBondContact CD1-OH 3.42Å; F65-Y68 WeakPolarHBondContact CE1-OH 3.45Å; F65-Y68 PolarHBondContact O-N 2.77Å; Y68-P70 VanDerWaalsContact C-N 3.32Å; Y68-A71 WeakPolarHBondContact O-CB 3.43Å; Y68-A71 PolarHBondContact O-N 2.97Å; Y68-L298 HydrophobicContact CD1-CD2 4.39Å; Y68-L298 HydrophobicContact CD2-CD2 4.34Å; Y68-L298 HydrophobicContact CE1-CD2 4.07Å; Y68-L298 HydrophobicContact CE2-CD2 4.04Å; Y68-I299 HydrophobicContact CE1-CD1 4.39Å; Y68-I299 HydrophobicContact CE1-CG1 4.39Å |
| 69 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56 | -38.2 | 176.9 | -72.6 | -63.6 | -77.7 | 0 | 0 | 113.9 | D19 F65 A71 I72 A73 L106 L107 W117 | D19-M69 HydrophobicContact CB-CE 3.89Å; D19-M69 HydrophobicContact CB-SD 3.71Å; F65-M69 HydrophobicContact CB-CG 3.95Å; F65-M69 HydrophobicContact CD1-CG 4.04Å; F65-M69 HydrophobicContact CD1-SD 4.39Å; F65-M69 VanDerWaalsContact O-CB 3.31Å; F65-M69 WeakPolarHBondContact O-CB 3.44Å; F65-M69 VanDerWaalsContact O-CG 3.29Å; F65-M69 WeakPolarHBondContact O-CG 3.44Å; F65-M69 PolarHBondContact O-N 2.84Å; M69-A71 PolarHBondContact O-N 2.85Å; M69-A71 VanDerWaalsContact O-N 3.16Å; M69-I72 PolarHBondContact O-N 3.31Å; M69-A73 WeakPolarHBondContact O-CB 3.05Å; M69-A73 PolarHBondContact O-N 3.04Å; M69-L106 HydrophobicContact CE-CB 4.26Å; M69-L107 HydrophobicContact CE-CD2 3.66Å; M69-L107 HydrophobicContact CE-CG 4.33Å; M69-W117 HydrophobicContact CB-CD2 3.72Å; M69-W117 VanDerWaalsContact CB-CE2 3.47Å; M69-W117 HydrophobicContact CB-CE3 4.11Å; M69-W117 HydrophobicContact CB-CG 4.24Å; M69-W117 HydrophobicContact CB-CH2 4.08Å; M69-W117 HydrophobicContact CB-CZ2 3.67Å; M69-W117 HydrophobicContact CB-CZ3 4.28Å; M69-W117 HydrophobicContact CE-CZ2 3.9Å; M69-W117 HydrophobicContact CG-CH2 4.05Å; M69-W117 HydrophobicContact CG-CZ2 3.72Å |
| 70 | P | 98.9 | Very high | 98.7 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 20% | 0.201 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.4 | -34.8 | 174.3 | -25.1 | 31.4 | 0 | 0 | 0 | 113.8 | R34 I36 D66 Y68 I72 W117 | R34-P70 PolarHBondContact NH1-O 2.77Å; I36-P70 WeakPolarHBondContact CD1-O 3.5Å; I36-P70 HydrophobicContact CG2-CB 3.86Å; D66-P70 WeakPolarHBondContact O-CD 3.35Å; Y68-P70 VanDerWaalsContact C-N 3.32Å; P70-I72 PolarHBondContact O-N 3.4Å; P70-W117 HydrophobicContact CG-CB 4.13Å |
| 71 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.7 | -19.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I27 Y30 R34 L38 Y68 M69 | I27-A71 HydrophobicContact CG2-CB 4.39Å; Y30-A71 WeakPolarHBondContact CB-O 3.22Å; R34-A71 WeakPolarHBondContact CD-O 3.48Å; R34-A71 PolarHBondContact NH1-O 3.43Å; L38-A71 HydrophobicContact CD2-CB 4.1Å; Y68-A71 WeakPolarHBondContact O-CB 3.43Å; Y68-A71 PolarHBondContact O-N 2.97Å; M69-A71 PolarHBondContact O-N 2.85Å; M69-A71 VanDerWaalsContact O-N 3.16Å |
| 72 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -110.8 | -49.6 | -172.1 | -57.2 | -61.8 | 0 | 0 | 0 | 112 | I22 I27 Y30 R34 M69 P70 C75 A78 I82 L107 | I22-I72 HydrophobicContact CD1-CB 4.47Å; I22-I72 HydrophobicContact CD1-CG1 3.93Å; I22-I72 HydrophobicContact CD1-CG2 4.25Å; I22-I72 HydrophobicContact CG2-CD1 4.48Å; I27-I72 HydrophobicContact CG1-CD1 4.49Å; Y30-I72 HydrophobicContact CD2-CD1 4.08Å; R34-I72 VanDerWaalsContact NH1-C 3.31Å; R34-I72 PolarHBondContact NH1-O 3.27Å; M69-I72 PolarHBondContact O-N 3.31Å; P70-I72 PolarHBondContact O-N 3.4Å; I72-C75 PolarHBondContact O-N 3.2Å; I72-A78 HydrophobicContact CD1-CB 4.27Å; I72-A78 HydrophobicContact CG2-CB 4.2Å; I72-I82 HydrophobicContact CD1-CG2 4.48Å; I72-I82 HydrophobicContact CG2-CD1 3.89Å; I72-L107 HydrophobicContact CG2-CD2 4.09Å |
| 73 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 142.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R34 M69 C75 L106 W117 Q119 | R34-A73 VanDerWaalsContact CZ-O 3.25Å; R34-A73 PolarHBondContact NH1-O 3.42Å; R34-A73 PolarHBondContact NH2-O 3.31Å; M69-A73 WeakPolarHBondContact O-CB 3.05Å; M69-A73 PolarHBondContact O-N 3.04Å; A73-C75 VanDerWaalsContact C-N 3.29Å; A73-C75 PolarHBondContact O-N 2.95Å; A73-L106 WeakPolarHBondContact CB-O 3.42Å; A73-W117 VanDerWaalsContact CB-CD1 3.48Å; A73-Q119 PolarHBondContact O-OE1 3.34Å |
| 74 | G | 98.8 | Very high | 98.9 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | L107 N109 | G74-L107 PolarHBondContact N-O 2.88Å; G74-N109 VanDerWaalsContact CA-ND2 3.3Å; G74-N109 WeakPolarHBondContact CA-ND2 3.4Å; G74-N109 PolarHBondContact O-ND2 2.94Å |
| 75 | C | 98.9 | Very high | 98.9 | Very high | 22 Ų | 22 | 33 Ų | 33 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | trans | -115.5 | 111.6 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | I72 A73 E77 A78 I79 | I72-C75 PolarHBondContact O-N 3.2Å; A73-C75 VanDerWaalsContact C-N 3.29Å; A73-C75 PolarHBondContact O-N 2.95Å; C75-E77 PolarHBondContact O-N 3.44Å; C75-A78 HydrophobicContact CB-CB 3.81Å; C75-A78 PolarHBondContact O-N 3.06Å; C75-A78 VanDerWaalsContact O-N 3.15Å; C75-I79 WeakPolarHBondContact O-CG1 3.27Å; C75-I79 PolarHBondContact O-N 2.78Å | ||
| 76 | R | 98.9 | Very high | 98.9 | Very high | 80 Ų | 80 | 32.4 Ų | 32.4 | 30% | 0.302 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.4 | -46.5 | -179.3 | -64.3 | -178.4 | 172 | 73.9 | 10.8 | 113.4 | A78 I79 K80 D123 L124 E128 L132 | R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 2.68Å; R76-I79 PolarHBondContact O-N 3.14Å; R76-K80 PolarHBondContact O-N 3.45Å; R76-K80 VanDerWaalsContact O-N 3.17Å; R76-D123 IonicContact CZ-OD1 3.77Å; R76-D123 VanDerWaalsContact CZ-OD1 3.32Å; R76-D123 IonicContact NH1-OD1 3.63Å; R76-D123 PolarHBondContact NH1-OD1 3.25Å; R76-D123 IonicContact NH1-OD2 3.12Å; R76-D123 PolarHBondContact NH2-O 3.49Å; R76-D123 IonicContact NH2-OD1 3.75Å; R76-D123 PolarHBondContact NH2-OD1 2.88Å; R76-D123 IonicContact NH2-OD2 3.16Å; R76-L124 HydrophobicContact CG-CD1 3.93Å; R76-L124 HydrophobicContact CG-CD2 4.19Å; R76-E128 WeakPolarHBondContact CD-OE1 3.12Å; R76-E128 IonicContact CZ-OE1 2.88Å; R76-E128 IonicContact CZ-OE2 3.25Å; R76-E128 VanDerWaalsContact NE-CD 3.31Å; R76-E128 IonicContact NE-OE1 2.75Å; R76-E128 PolarHBondContact NE-OE1 2.91Å; R76-E128 IonicContact NE-OE2 3.41Å; R76-E128 PolarHBondContact NE-OE2 2.85Å; R76-E128 IonicContact NH2-OE1 3.1Å; R76-E128 IonicContact NH2-OE2 3.53Å; R76-E128 PolarHBondContact NH2-OE2 3.12Å; R76-L132 HydrophobicContact CB-CD1 3.92Å; R76-L132 HydrophobicContact CG-CD1 3.88Å |
| 77 | E | 98.9 | Very high | 98.9 | Very high | 101 Ų | 101 | 27.8 Ų | 27.8 | 47% | 0.472 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 178.6 | -68.3 | -178.4 | -158.3 | 0 | 0 | 111.5 | Y30 R33 C75 R81 | Y30-E77 HydrophobicContact CE1-CB 4.21Å; Y30-E77 PolarHBondContact OH-O 3.39Å; Y30-E77 VanDerWaalsContact OH-O 3.13Å; R33-E77 IonicContact CZ-OE2 2.86Å; R33-E77 IonicContact NH1-OE2 2.71Å; R33-E77 PolarHBondContact NH1-OE2 2.85Å; R33-E77 IonicContact NH2-OE1 3.19Å; R33-E77 PolarHBondContact NH2-OE1 3.24Å; R33-E77 VanDerWaalsContact NH2-OE1 3.1Å; R33-E77 IonicContact NH2-OE2 2.8Å; R33-E77 PolarHBondContact NH2-OE2 3Å; C75-E77 PolarHBondContact O-N 3.44Å; E77-R81 WeakPolarHBondContact O-CB 3.38Å; E77-R81 PolarHBondContact O-N 3.26Å; E77-R81 VanDerWaalsContact O-N 3.1Å |
| 78 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.1 | -48.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y30 I72 C75 R76 K80 R81 I82 | Y30-A78 HydrophobicContact CD1-CB 4Å; Y30-A78 HydrophobicContact CD2-CB 3.61Å; Y30-A78 HydrophobicContact CE1-CB 3.95Å; Y30-A78 VanDerWaalsContact CE2-CA 3.43Å; Y30-A78 HydrophobicContact CE2-CB 3.53Å; Y30-A78 HydrophobicContact CG-CB 3.84Å; Y30-A78 VanDerWaalsContact CZ-CA 3.41Å; Y30-A78 PolarHBondContact OH-N 3.09Å; I72-A78 HydrophobicContact CD1-CB 4.27Å; I72-A78 HydrophobicContact CG2-CB 4.2Å; C75-A78 HydrophobicContact CB-CB 3.81Å; C75-A78 PolarHBondContact O-N 3.06Å; C75-A78 VanDerWaalsContact O-N 3.15Å; R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 2.68Å; A78-K80 PolarHBondContact O-N 3.3Å; A78-R81 PolarHBondContact O-N 3.04Å; A78-R81 VanDerWaalsContact O-N 3.16Å; A78-I82 WeakPolarHBondContact O-CG2 3.48Å; A78-I82 PolarHBondContact O-N 3.01Å |
| 79 | I | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.7 | -47.5 | -177.7 | -67.9 | 176.5 | 0 | 0 | 0 | 112 | C75 R76 R81 I82 A83 L107 L124 V129 L132 V133 | C75-I79 WeakPolarHBondContact O-CG1 3.27Å; C75-I79 PolarHBondContact O-N 2.78Å; R76-I79 PolarHBondContact O-N 3.14Å; I79-R81 VanDerWaalsContact C-N 3.31Å; I79-R81 PolarHBondContact O-N 2.97Å; I79-I82 VanDerWaalsContact O-CG1 3.24Å; I79-I82 WeakPolarHBondContact O-CG1 2.84Å; I79-A83 PolarHBondContact O-N 2.93Å; I79-L107 HydrophobicContact CD1-CB 3.81Å; I79-L107 HydrophobicContact CG1-CB 4.35Å; I79-L124 HydrophobicContact CD1-CD2 3.6Å; I79-V129 HydrophobicContact CD1-CB 4.49Å; I79-V129 HydrophobicContact CD1-CG1 4.24Å; I79-V129 HydrophobicContact CD1-CG2 3.78Å; I79-V129 HydrophobicContact CG2-CG1 4.15Å; I79-L132 HydrophobicContact CG2-CB 3.88Å; I79-V133 HydrophobicContact CG2-CG2 3.53Å |
| 80 | K | 98.9 | Very high | 98.9 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 24% | 0.239 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.9 | -175.7 | 175.1 | 176.6 | 175.8 | 0 | 111.3 | R76 A78 A83 Y84 L132 Q135 E139 | R76-K80 PolarHBondContact O-N 3.45Å; R76-K80 VanDerWaalsContact O-N 3.17Å; A78-K80 PolarHBondContact O-N 3.3Å; K80-A83 PolarHBondContact O-N 2.86Å; K80-Y84 PolarHBondContact O-N 3.48Å; K80-Y84 VanDerWaalsContact O-N 3.15Å; K80-L132 HydrophobicContact CB-CB 4.46Å; K80-L132 HydrophobicContact CB-CD2 4.37Å; K80-Q135 HydrophobicContact CD-CB 4.25Å; K80-E139 VanDerWaalsContact CE-CD 3.41Å; K80-E139 VanDerWaalsContact CE-OE1 3.25Å; K80-E139 WeakPolarHBondContact CE-OE1 3.1Å; K80-E139 WeakPolarHBondContact CE-OE2 3.48Å; K80-E139 IonicContact NZ-OE1 2.72Å; K80-E139 PolarHBondContact NZ-OE1 3.18Å; K80-E139 IonicContact NZ-OE2 3.69Å; K80-E139 PolarHBondContact NZ-OE2 3Å |
| 81 | R | 98.9 | Very high | 98.9 | Very high | 83 Ų | 83 | 28.6 Ų | 28.6 | 31% | 0.313 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -65.6 | -44.7 | -178.4 | 178.2 | 170.1 | 173.7 | -171 | -4.4 | 112.9 | E77 A78 I79 A83 Y84 E85 | E77-R81 WeakPolarHBondContact O-CB 3.38Å; E77-R81 PolarHBondContact O-N 3.26Å; E77-R81 VanDerWaalsContact O-N 3.1Å; A78-R81 PolarHBondContact O-N 3.04Å; A78-R81 VanDerWaalsContact O-N 3.16Å; I79-R81 VanDerWaalsContact C-N 3.31Å; I79-R81 PolarHBondContact O-N 2.97Å; R81-A83 PolarHBondContact O-N 3.12Å; R81-Y84 PolarHBondContact O-N 2.82Å; R81-E85 HydrophobicContact CG-CG 4.12Å; R81-E85 IonicContact CZ-OE1 2.85Å; R81-E85 VanDerWaalsContact CZ-OE1 3.27Å; R81-E85 IonicContact NE-OE1 2.69Å; R81-E85 PolarHBondContact NE-OE1 3.43Å; R81-E85 IonicContact NE-OE2 3.3Å; R81-E85 IonicContact NH2-OE1 3.47Å; R81-E85 PolarHBondContact NH2-OE1 2.78Å; R81-E85 WeakPolarHBondContact O-CB 3.42Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.27Å |
| 82 | I | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -34.6 | -180 | 65 | 176.6 | 0 | 0 | 0 | 111.2 | L18 I22 T26 I72 A78 I79 F86 | L18-I82 HydrophobicContact CD1-CG1 4.37Å; L18-I82 HydrophobicContact CD2-CD1 4.26Å; L18-I82 HydrophobicContact CD2-CG1 4.28Å; L18-I82 HydrophobicContact CG-CD1 4.14Å; L18-I82 HydrophobicContact CG-CG1 4.28Å; I22-I82 HydrophobicContact CD1-CD1 4.06Å; I22-I82 HydrophobicContact CD1-CG2 4.39Å; I22-I82 HydrophobicContact CG1-CB 4.47Å; I22-I82 HydrophobicContact CG1-CD1 4.31Å; I22-I82 HydrophobicContact CG1-CG2 4.26Å; I22-I82 HydrophobicContact CG2-CG2 3.67Å; T26-I82 HydrophobicContact CG2-CG2 4.07Å; I72-I82 HydrophobicContact CD1-CG2 4.48Å; I72-I82 HydrophobicContact CG2-CD1 3.89Å; A78-I82 WeakPolarHBondContact O-CG2 3.48Å; A78-I82 PolarHBondContact O-N 3.01Å; I79-I82 VanDerWaalsContact O-CG1 3.24Å; I79-I82 WeakPolarHBondContact O-CG1 2.84Å; I82-F86 WeakPolarHBondContact O-CB 3.44Å; I82-F86 PolarHBondContact O-N 3.17Å |
| 83 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.1 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L18 I79 K80 R81 F86 V87 V133 L137 | L18-A83 HydrophobicContact CD2-CB 4.33Å; I79-A83 PolarHBondContact O-N 2.93Å; K80-A83 PolarHBondContact O-N 2.86Å; R81-A83 PolarHBondContact O-N 3.12Å; A83-F86 WeakPolarHBondContact O-CB 3.39Å; A83-F86 PolarHBondContact O-N 3.36Å; A83-V87 PolarHBondContact O-N 3.12Å; A83-V133 HydrophobicContact CB-CB 4.39Å; A83-V133 HydrophobicContact CB-CG1 3.97Å; A83-V133 WeakPolarHBondContact CB-O 3.28Å; A83-L137 HydrophobicContact CB-CD2 4.12Å; A83-L137 HydrophobicContact CB-CG 4.17Å |
| 84 | Y | 98.9 | Very high | 98.9 | Very high | 68 Ų | 68 | 37.7 Ų | 37.7 | 27% | 0.267 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 174.7 | 179.7 | -91.8 | 0 | 0 | 0 | 112.4 | K80 R81 F86 V87 E88 G136 E139 D143 F144 | K80-Y84 PolarHBondContact O-N 3.48Å; K80-Y84 VanDerWaalsContact O-N 3.15Å; R81-Y84 PolarHBondContact O-N 2.82Å; Y84-F86 VanDerWaalsContact C-N 3.27Å; Y84-F86 PolarHBondContact O-N 3.4Å; Y84-V87 PolarHBondContact O-N 3.44Å; Y84-E88 PolarHBondContact O-N 3.09Å; Y84-G136 WeakPolarHBondContact CA-O 3.41Å; Y84-E139 HydrophobicContact CD2-CB 3.77Å; Y84-E139 HydrophobicContact CE2-CB 4.08Å; Y84-D143 HydrophobicContact CE2-CB 4.34Å; Y84-D143 WeakPolarHBondContact CE2-OD2 3.33Å; Y84-D143 PolarHBondContact OH-OD2 3.41Å; Y84-F144 HydrophobicContact CD1-CE2 4.21Å; Y84-F144 HydrophobicContact CD1-CZ 4.5Å; Y84-F144 HydrophobicContact CD2-CE2 4.37Å; Y84-F144 AromaticContact CE1-CE2 3.67Å; Y84-F144 HydrophobicContact CE1-CE2 3.67Å; Y84-F144 AromaticContact CE1-CZ 3.6Å; Y84-F144 HydrophobicContact CE1-CZ 3.6Å; Y84-F144 AromaticContact CE2-CE2 3.85Å; Y84-F144 HydrophobicContact CE2-CE2 3.85Å; Y84-F144 HydrophobicContact CE2-CZ 4.27Å; Y84-F144 AromaticContact CZ-CE2 3.46Å; Y84-F144 VanDerWaalsContact CZ-CE2 3.46Å; Y84-F144 AromaticContact CZ-CZ 3.46Å; Y84-F144 VanDerWaalsContact CZ-CZ 3.46Å; Y84-F144 VanDerWaalsContact OH-CZ 3.26Å; Y84-F144 WeakPolarHBondContact OH-CZ 3.47Å |
| 85 | E | 98.9 | Very high | 98.9 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 9% | 0.089 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -30.7 | 179.3 | -74.7 | -177.7 | 163.6 | 0 | 0 | 112.6 | K23 T26 R81 E88 M89 | K23-E85 HydrophobicContact CD-CB 4.27Å; K23-E85 HydrophobicContact CD-CG 4.37Å; T26-E85 WeakPolarHBondContact CB-OE2 3.5Å; T26-E85 VanDerWaalsContact OG1-CD 3.31Å; T26-E85 PolarHBondContact OG1-OE1 3.02Å; T26-E85 PolarHBondContact OG1-OE2 3.31Å; R81-E85 HydrophobicContact CG-CG 4.12Å; R81-E85 IonicContact CZ-OE1 2.85Å; R81-E85 VanDerWaalsContact CZ-OE1 3.27Å; R81-E85 IonicContact NE-OE1 2.69Å; R81-E85 PolarHBondContact NE-OE1 3.43Å; R81-E85 IonicContact NE-OE2 3.3Å; R81-E85 IonicContact NH2-OE1 3.47Å; R81-E85 PolarHBondContact NH2-OE1 2.78Å; R81-E85 WeakPolarHBondContact O-CB 3.42Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.27Å; E85-E88 WeakPolarHBondContact O-CB 3.26Å; E85-E88 PolarHBondContact O-N 2.79Å; E85-M89 VanDerWaalsContact O-CG 3.25Å; E85-M89 WeakPolarHBondContact O-CG 3.42Å; E85-M89 PolarHBondContact O-N 2.69Å |
| 86 | F | 98.9 | Very high | 98.9 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 174.8 | 172 | -95.2 | 0 | 0 | 0 | 111.3 | V16 L18 I82 A83 Y84 E88 M89 K90 V98 V100 L137 | V16-F86 HydrophobicContact CG1-CE2 4.15Å; V16-F86 HydrophobicContact CG1-CZ 3.66Å; V16-F86 HydrophobicContact CG2-CE2 3.81Å; V16-F86 HydrophobicContact CG2-CZ 4.2Å; L18-F86 HydrophobicContact CD1-CB 3.67Å; L18-F86 HydrophobicContact CD1-CD2 4.2Å; L18-F86 HydrophobicContact CD1-CG 3.92Å; I82-F86 WeakPolarHBondContact O-CB 3.44Å; I82-F86 PolarHBondContact O-N 3.17Å; A83-F86 WeakPolarHBondContact O-CB 3.39Å; A83-F86 PolarHBondContact O-N 3.36Å; Y84-F86 VanDerWaalsContact C-N 3.27Å; Y84-F86 PolarHBondContact O-N 3.4Å; F86-E88 VanDerWaalsContact C-N 3.33Å; F86-E88 PolarHBondContact O-N 3.3Å; F86-M89 PolarHBondContact O-N 3.05Å; F86-M89 VanDerWaalsContact O-N 3.17Å; F86-K90 HydrophobicContact CD1-CG 4.49Å; F86-K90 HydrophobicContact CD2-CG 4.4Å; F86-K90 HydrophobicContact CE1-CG 4Å; F86-K90 HydrophobicContact CE2-CD 4.41Å; F86-K90 HydrophobicContact CE2-CG 3.92Å; F86-K90 HydrophobicContact CZ-CD 4.35Å; F86-K90 HydrophobicContact CZ-CG 3.69Å; F86-K90 PolarHBondContact O-N 3.46Å; F86-V98 HydrophobicContact CE1-CB 4.47Å; F86-V98 HydrophobicContact CE1-CG1 3.83Å; F86-V98 HydrophobicContact CE1-CG2 3.82Å; F86-V98 HydrophobicContact CZ-CG2 3.68Å; F86-V100 HydrophobicContact CD1-CB 4.2Å; F86-V100 HydrophobicContact CD1-CG1 4.33Å; F86-V100 HydrophobicContact CD1-CG2 4.15Å; F86-V100 HydrophobicContact CD2-CG2 4.21Å; F86-V100 HydrophobicContact CE1-CB 3.51Å; F86-V100 HydrophobicContact CE1-CG1 4.03Å; F86-V100 HydrophobicContact CE1-CG2 3.7Å; F86-V100 HydrophobicContact CE2-CB 4.41Å; F86-V100 HydrophobicContact CE2-CG2 3.75Å; F86-V100 HydrophobicContact CG-CG2 4.39Å; F86-V100 HydrophobicContact CZ-CB 3.63Å; F86-V100 HydrophobicContact CZ-CG2 3.47Å; F86-V100 VanDerWaalsContact CZ-CG2 3.47Å; F86-L137 HydrophobicContact CD1-CD2 4.18Å |
| 87 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 178.8 | -171.6 | 0 | 0 | 0 | 0 | 111 | A83 Y84 M89 K90 A91 L137 F144 V146 A148 | A83-V87 PolarHBondContact O-N 3.12Å; Y84-V87 PolarHBondContact O-N 3.44Å; V87-M89 VanDerWaalsContact C-N 3.29Å; V87-M89 PolarHBondContact O-N 3.31Å; V87-K90 PolarHBondContact O-N 3.3Å; V87-A91 PolarHBondContact O-N 3.36Å; V87-L137 HydrophobicContact CG2-CD2 3.74Å; V87-F144 HydrophobicContact CB-CD2 4.28Å; V87-F144 HydrophobicContact CG1-CB 4.39Å; V87-F144 HydrophobicContact CG1-CD2 4.24Å; V87-V146 HydrophobicContact CG1-CB 3.82Å; V87-V146 HydrophobicContact CG1-CG1 4.45Å; V87-A148 HydrophobicContact CG2-CB 3.9Å |
| 88 | E | 98.9 | Very high | 98.9 | Very high | 48 Ų | 48 | 29 Ų | 29 | 22% | 0.224 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.9 | -44 | 174.3 | -169.9 | -155.4 | 160.8 | 0 | 0 | 111.9 | K23 Y84 E85 F86 K92 F144 | K23-E88 IonicContact NZ-OE2 3Å; K23-E88 PolarHBondContact NZ-OE2 3.3Å; Y84-E88 PolarHBondContact O-N 3.09Å; E85-E88 WeakPolarHBondContact O-CB 3.26Å; E85-E88 PolarHBondContact O-N 2.79Å; F86-E88 VanDerWaalsContact C-N 3.33Å; F86-E88 PolarHBondContact O-N 3.3Å; E88-K92 WeakPolarHBondContact OE1-CE 3.14Å; E88-K92 IonicContact OE1-NZ 3.13Å; E88-K92 PolarHBondContact OE1-NZ 3.17Å; E88-F144 HydrophobicContact CB-CD1 4.42Å; E88-F144 HydrophobicContact CB-CD2 3.87Å; E88-F144 HydrophobicContact CB-CE1 4.08Å; E88-F144 HydrophobicContact CB-CE2 3.48Å; E88-F144 VanDerWaalsContact CB-CE2 3.48Å; E88-F144 HydrophobicContact CB-CG 4.34Å; E88-F144 HydrophobicContact CB-CZ 3.59Å; E88-F144 HydrophobicContact CG-CD1 4.18Å; E88-F144 HydrophobicContact CG-CD2 4.49Å; E88-F144 HydrophobicContact CG-CE1 3.67Å; E88-F144 HydrophobicContact CG-CE2 4.02Å; E88-F144 HydrophobicContact CG-CZ 3.57Å |
| 89 | M | 98.8 | Very high | 98.9 | Very high | 68 Ų | 68 | 29 Ų | 29 | 34% | 0.335 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -70.5 | -43.3 | -178.2 | -70.4 | -62.3 | -65.9 | 0 | 0 | 111.4 | K23 E85 F86 V87 A91 K92 | K23-M89 HydrophobicContact CD-SD 4.5Å; K23-M89 WeakPolarHBondContact CE-SD 3.34Å; K23-M89 HydrophobicContact CG-CG 4.42Å; E85-M89 VanDerWaalsContact O-CG 3.25Å; E85-M89 WeakPolarHBondContact O-CG 3.42Å; E85-M89 PolarHBondContact O-N 2.69Å; F86-M89 PolarHBondContact O-N 3.05Å; F86-M89 VanDerWaalsContact O-N 3.17Å; V87-M89 VanDerWaalsContact C-N 3.29Å; V87-M89 PolarHBondContact O-N 3.31Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 3.11Å; M89-K92 WeakPolarHBondContact O-CB 3.01Å; M89-K92 PolarHBondContact O-N 2.82Å; M89-K92 HydrophobicContact SD-CD 4.19Å |
| 90 | K | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.013 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66 | -30.4 | 178.4 | -68.1 | -62.6 | 177.6 | 178 | 0 | 113.2 | E13 F86 V87 K92 E93 V95 T294 | E13-K90 IonicContact OE1-NZ 3.83Å; E13-K90 PolarHBondContact OE1-NZ 3.3Å; E13-K90 VanDerWaalsContact OE2-CD 3.27Å; E13-K90 WeakPolarHBondContact OE2-CD 3.44Å; E13-K90 WeakPolarHBondContact OE2-CE 3.28Å; E13-K90 IonicContact OE2-NZ 3.76Å; E13-K90 PolarHBondContact OE2-NZ 3.02Å; F86-K90 HydrophobicContact CD1-CG 4.49Å; F86-K90 HydrophobicContact CD2-CG 4.4Å; F86-K90 HydrophobicContact CE1-CG 4Å; F86-K90 HydrophobicContact CE2-CD 4.41Å; F86-K90 HydrophobicContact CE2-CG 3.92Å; F86-K90 HydrophobicContact CZ-CD 4.35Å; F86-K90 HydrophobicContact CZ-CG 3.69Å; F86-K90 PolarHBondContact O-N 3.46Å; V87-K90 PolarHBondContact O-N 3.3Å; K90-K92 PolarHBondContact O-N 2.98Å; K90-E93 IonicContact NZ-OE1 3.12Å; K90-E93 IonicContact NZ-OE2 2.87Å; K90-E93 PolarHBondContact NZ-OE2 3.35Å; K90-E93 PolarHBondContact O-N 3.47Å; K90-E93 VanDerWaalsContact O-N 3.09Å; K90-V95 HydrophobicContact CB-CB 4.09Å; K90-V95 HydrophobicContact CB-CG1 4.49Å; K90-V95 HydrophobicContact CB-CG2 4.21Å; K90-V95 HydrophobicContact CD-CG2 4.25Å; K90-V95 WeakPolarHBondContact O-CB 3.34Å; K90-V95 PolarHBondContact O-N 3.38Å; K90-T294 PolarHBondContact NZ-OG1 3.46Å |
| 91 | A | 98.8 | Very high | 98.9 | Very high | 32 Ų | 32 | 26.4 Ų | 26.4 | 26% | 0.264 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -57.7 | -37.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V87 M89 E93 G94 F144 V146 | V87-A91 PolarHBondContact O-N 3.36Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 3.11Å; A91-E93 PolarHBondContact O-N 3.2Å; A91-G94 PolarHBondContact O-N 2.98Å; A91-G94 VanDerWaalsContact O-N 3.12Å; A91-F144 HydrophobicContact CB-CB 4.08Å; A91-V146 HydrophobicContact CB-CG2 3.59Å |
| 92 | K | 98.7 | Very high | 98.9 | Very high | 134 Ų | 134 | 22.4 Ų | 22.4 | 58% | 0.583 | 12% | 0.116 | S | C | * | . | H | α-helix | trans | -69.7 | -19.2 | 179.4 | -60.4 | 169.7 | -170 | 175 | 0 | 112.9 | E88 M89 K90 G94 | E88-K92 WeakPolarHBondContact OE1-CE 3.14Å; E88-K92 IonicContact OE1-NZ 3.13Å; E88-K92 PolarHBondContact OE1-NZ 3.17Å; M89-K92 WeakPolarHBondContact O-CB 3.01Å; M89-K92 PolarHBondContact O-N 2.82Å; M89-K92 HydrophobicContact SD-CD 4.19Å; K90-K92 PolarHBondContact O-N 2.98Å; K92-G94 VanDerWaalsContact C-N 3.32Å |
| 93 | E | 98.6 | Very high | 98.9 | Very high | 31 Ų | 31 | 22.3 Ų | 22.3 | 15% | 0.145 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -1 | 176.4 | -62.2 | 176.9 | -136 | 0 | 0 | 112.3 | K11 K90 A91 V95 L304 | K11-E93 PolarHBondContact NZ-O 3.35Å; K90-E93 IonicContact NZ-OE1 3.12Å; K90-E93 IonicContact NZ-OE2 2.87Å; K90-E93 PolarHBondContact NZ-OE2 3.35Å; K90-E93 PolarHBondContact O-N 3.47Å; K90-E93 VanDerWaalsContact O-N 3.09Å; A91-E93 PolarHBondContact O-N 3.2Å; E93-V95 VanDerWaalsContact C-N 3.31Å; E93-V95 HydrophobicContact CB-CG2 4.13Å; E93-L304 HydrophobicContact CB-CD1 4.42Å; E93-L304 WeakPolarHBondContact OE2-CB 3.27Å; E93-L304 WeakPolarHBondContact OE2-CG 3.29Å; E93-L304 PolarHBondContact OE2-N 2.88Å |
| 94 | G | 98.7 | Very high | 98.9 | Very high | 26 Ų | 26 | 22.3 Ų | 22.3 | 27% | 0.268 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 22.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P10 K11 A91 K92 | P10-G94 CarbonylContact C-O 3.47Å; P10-G94 VanDerWaalsContact CA-O 3.26Å; P10-G94 WeakPolarHBondContact CA-O 3.25Å; K11-G94 PolarHBondContact N-O 2.99Å; A91-G94 PolarHBondContact O-N 2.98Å; A91-G94 VanDerWaalsContact O-N 3.12Å; K92-G94 VanDerWaalsContact C-N 3.32Å |
| 95 | V | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136.9 | 172.6 | -179 | 0 | 0 | 0 | 0 | 109.3 | K11 K90 E93 Y97 V98 V146 L304 | K11-V95 WeakPolarHBondContact O-CA 3.34Å; K90-V95 HydrophobicContact CB-CB 4.09Å; K90-V95 HydrophobicContact CB-CG1 4.49Å; K90-V95 HydrophobicContact CB-CG2 4.21Å; K90-V95 HydrophobicContact CD-CG2 4.25Å; K90-V95 WeakPolarHBondContact O-CB 3.34Å; K90-V95 PolarHBondContact O-N 3.38Å; E93-V95 VanDerWaalsContact C-N 3.31Å; E93-V95 HydrophobicContact CB-CG2 4.13Å; V95-Y97 VanDerWaalsContact CG1-O 3.23Å; V95-Y97 WeakPolarHBondContact CG1-O 3.24Å; V95-V98 HydrophobicContact CG1-CB 3.97Å; V95-V146 HydrophobicContact CG1-CG1 4.13Å; V95-V146 VanDerWaalsContact O-CG2 3.27Å; V95-V146 WeakPolarHBondContact O-CG2 3.29Å; V95-L304 HydrophobicContact CG2-CD1 3.27Å |
| 96 | V | 98.9 | Very high | 98.9 | Very high | 29 Ų | 29 | 19.3 Ų | 19.3 | 18% | 0.176 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -20.2 | 175.8 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | P10 K11 K147 L343 L346 L347 | P10-V96 HydrophobicContact CB-CB 4.49Å; P10-V96 HydrophobicContact CB-CG1 3.72Å; P10-V96 HydrophobicContact CB-CG2 3.91Å; P10-V96 HydrophobicContact CG-CG1 4.25Å; K11-V96 WeakPolarHBondContact O-CG2 3.42Å; K11-V96 PolarHBondContact O-N 3.38Å; V96-K147 PolarHBondContact O-N 2.99Å; V96-L343 HydrophobicContact CG2-CD1 4.04Å; V96-L346 HydrophobicContact CB-CD2 4.18Å; V96-L346 HydrophobicContact CG1-CD2 4.15Å; V96-L346 HydrophobicContact CG2-CD2 3.93Å; V96-L347 HydrophobicContact CG2-CD2 4.04Å |
| 97 | Y | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 133.2 | 171.5 | 176.1 | -113.2 | 0 | 0 | 0 | 110.6 | V12 E13 L14 V95 E99 K147 R149 L335 L343 | V12-Y97 WeakPolarHBondContact CA-O 3.09Å; V12-Y97 HydrophobicContact CG1-CD1 3.73Å; E13-Y97 PolarHBondContact N-O 2.86Å; E13-Y97 VanDerWaalsContact N-O 3.09Å; L14-Y97 HydrophobicContact CD2-CD1 4.24Å; L14-Y97 HydrophobicContact CD2-CE1 3.82Å; V95-Y97 VanDerWaalsContact CG1-O 3.23Å; V95-Y97 WeakPolarHBondContact CG1-O 3.24Å; Y97-E99 HydrophobicContact CE1-CG 3.74Å; Y97-E99 WeakPolarHBondContact OH-CG 3.39Å; Y97-E99 PolarHBondContact OH-OE1 3.17Å; Y97-K147 WeakPolarHBondContact CA-O 3.14Å; Y97-K147 HydrophobicContact CD2-CB 3.96Å; Y97-K147 HydrophobicContact CD2-CD 4.03Å; Y97-K147 HydrophobicContact CD2-CG 3.92Å; Y97-K147 WeakPolarHBondContact CD2-O 3.45Å; Y97-K147 HydrophobicContact CE2-CD 4.3Å; Y97-K147 HydrophobicContact CE2-CG 4.28Å; Y97-R149 HydrophobicContact CE2-CB 4.33Å; Y97-R149 HydrophobicContact CE2-CG 3.86Å; Y97-L335 HydrophobicContact CD2-CD1 3.95Å; Y97-L335 HydrophobicContact CD2-CG 4.46Å; Y97-L335 HydrophobicContact CE1-CD1 4.25Å; Y97-L335 HydrophobicContact CE1-CG 4.37Å; Y97-L335 HydrophobicContact CE2-CD1 3.62Å; Y97-L335 HydrophobicContact CE2-CD2 3.75Å; Y97-L335 HydrophobicContact CE2-CG 3.65Å; Y97-L335 HydrophobicContact CG-CD1 4.38Å; Y97-L335 WeakPolarHBondContact OH-CG 3.43Å; Y97-L343 HydrophobicContact CD1-CD2 3.6Å; Y97-L343 HydrophobicContact CD2-CD2 4.46Å; Y97-L343 HydrophobicContact CE1-CD2 4.44Å; Y97-L343 HydrophobicContact CG-CD2 3.62Å |
| 98 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136.9 | 178.8 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | E13 V16 F86 V95 V146 K147 A148 R149 | E13-V98 HydrophobicContact CB-CG2 4.27Å; E13-V98 VanDerWaalsContact O-CA 3.27Å; E13-V98 WeakPolarHBondContact O-CA 3.27Å; V16-V98 HydrophobicContact CG1-CG2 3.67Å; F86-V98 HydrophobicContact CE1-CB 4.47Å; F86-V98 HydrophobicContact CE1-CG1 3.83Å; F86-V98 HydrophobicContact CE1-CG2 3.82Å; F86-V98 HydrophobicContact CZ-CG2 3.68Å; V95-V98 HydrophobicContact CG1-CB 3.97Å; V98-V146 HydrophobicContact CG1-CG1 4.21Å; V98-K147 PolarHBondContact N-O 3.04Å; V98-A148 HydrophobicContact CG1-CB 4.04Å; V98-R149 PolarHBondContact O-N 2.97Å |
| 99 | E | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 104.2 | 165.9 | -65.6 | 175.5 | -162.1 | 0 | 0 | 109.2 | E13 L14 Y97 R149 I151 V178 R235 S333 F334 | E13-E99 PolarHBondContact O-N 2.91Å; L14-E99 HydrophobicContact CD2-CG 4.15Å; Y97-E99 HydrophobicContact CE1-CG 3.74Å; Y97-E99 WeakPolarHBondContact OH-CG 3.39Å; Y97-E99 PolarHBondContact OH-OE1 3.17Å; E99-R149 WeakPolarHBondContact CA-O 3.41Å; E99-R149 HydrophobicContact CG-CB 4.39Å; E99-I151 HydrophobicContact CB-CD1 4.01Å; E99-I151 HydrophobicContact CB-CG1 4.28Å; E99-I151 WeakPolarHBondContact OE2-CD1 3.23Å; E99-V178 HydrophobicContact CG-CG2 4.36Å; E99-R235 IonicContact OE1-NH1 2.88Å; E99-R235 PolarHBondContact OE1-NH1 3.05Å; E99-R235 IonicContact OE2-CZ 3.79Å; E99-R235 IonicContact OE2-NH1 2.77Å; E99-R235 PolarHBondContact OE2-NH1 3.02Å; E99-R235 IonicContact OE2-NH2 2.76Å; E99-R235 PolarHBondContact OE2-NH2 3.03Å; E99-S333 VanDerWaalsContact OE1-CA 3.28Å; E99-S333 WeakPolarHBondContact OE1-CA 3.37Å; E99-S333 WeakPolarHBondContact OE1-CB 3.39Å; E99-F334 PolarHBondContact OE1-N 2.88Å; E99-F334 WeakPolarHBondContact OE2-CD2 3.07Å |
| 100 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134 | -179.7 | 69.6 | 0 | 0 | 0 | 0 | 111 | V16 L18 F86 L137 R149 S150 I151 | V16-V100 HydrophobicContact CG1-CG2 4.46Å; V16-V100 WeakPolarHBondContact O-CA 3.44Å; V16-V100 WeakPolarHBondContact O-CG2 3.19Å; L18-V100 HydrophobicContact CB-CG2 3.61Å; L18-V100 HydrophobicContact CD1-CG2 4.31Å; F86-V100 HydrophobicContact CD1-CB 4.2Å; F86-V100 HydrophobicContact CD1-CG1 4.33Å; F86-V100 HydrophobicContact CD1-CG2 4.15Å; F86-V100 HydrophobicContact CD2-CG2 4.21Å; F86-V100 HydrophobicContact CE1-CB 3.51Å; F86-V100 HydrophobicContact CE1-CG1 4.03Å; F86-V100 HydrophobicContact CE1-CG2 3.7Å; F86-V100 HydrophobicContact CE2-CB 4.41Å; F86-V100 HydrophobicContact CE2-CG2 3.75Å; F86-V100 HydrophobicContact CG-CG2 4.39Å; F86-V100 HydrophobicContact CZ-CB 3.63Å; F86-V100 HydrophobicContact CZ-CG2 3.47Å; F86-V100 VanDerWaalsContact CZ-CG2 3.47Å; V100-L137 HydrophobicContact CG1-CD1 3.77Å; V100-L137 HydrophobicContact CG1-CD2 3.95Å; V100-R149 PolarHBondContact N-O 3.1Å; V100-S150 CarbonylContact O-C 3.42Å; V100-S150 WeakPolarHBondContact O-CA 3.25Å; V100-I151 PolarHBondContact O-N 3.48Å |
| 101 | R | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149.2 | -176.4 | 71.1 | -168.9 | 59.6 | -169.3 | -0.2 | 112.4 | L14 H15 V16 H17 L18 I151 D181 H214 E260 | L14-R101 PolarHBondContact O-NH2 3.28Å; H15-R101 PolarHBondContact CE1-NH1 3.25Å; H15-R101 VanDerWaalsContact CG-CZ 3.46Å; H15-R101 PolarHBondContact ND1-NH1 3.09Å; H15-R101 PolarHBondContact ND1-NH2 3.02Å; V16-R101 PolarHBondContact O-N 2.89Å; H17-R101 CarbonylContact C-O 3.56Å; H17-R101 VanDerWaalsContact CA-O 3.32Å; H17-R101 WeakPolarHBondContact CA-O 3.48Å; H17-R101 VanDerWaalsContact NE2-CD 3.28Å; H17-R101 WeakPolarHBondContact NE2-CD 3.45Å; L18-R101 PolarHBondContact N-O 3.43Å; R101-I151 VanDerWaalsContact CA-O 3.3Å; R101-I151 WeakPolarHBondContact CA-O 3.2Å; R101-I151 HydrophobicContact CB-CB 3.86Å; R101-I151 HydrophobicContact CB-CG2 4.33Å; R101-D181 IonicContact NH1-OD2 3.29Å; R101-D181 PolarHBondContact NH1-OD2 2.62Å; R101-H214 PolarHBondContact NH1-CE1 2.87Å; R101-E260 IonicContact CZ-OE2 3.27Å; R101-E260 IonicContact NH1-OE2 3.48Å; R101-E260 PolarHBondContact NH1-OE2 3.33Å; R101-E260 IonicContact NH2-OE1 3.76Å; R101-E260 PolarHBondContact NH2-OE1 3.04Å; R101-E260 IonicContact NH2-OE2 2.88Å; R101-E260 PolarHBondContact NH2-OE2 2.99Å |
| 102 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 158.2 | 175.7 | 63.1 | -78.9 | 0 | 0 | 0 | 111 | L18 P104 L107 V129 V130 V133 I151 L152 C153 | L18-Y102 HydrophobicContact CB-CD1 4.42Å; L18-Y102 HydrophobicContact CD2-CD1 4.27Å; L18-Y102 HydrophobicContact CD2-CG 4.48Å; Y102-P104 HydrophobicContact CD2-CB 4.48Å; Y102-P104 HydrophobicContact CE2-CB 4Å; Y102-P104 WeakPolarHBondContact O-CD 3.4Å; Y102-L107 HydrophobicContact CD2-CD1 4.03Å; Y102-V129 HydrophobicContact CE2-CG1 4.02Å; Y102-V130 WeakPolarHBondContact OH-CA 3.35Å; Y102-V133 HydrophobicContact CD1-CG1 4.28Å; Y102-V133 HydrophobicContact CE1-CB 4.11Å; Y102-V133 HydrophobicContact CE1-CG1 3.51Å; Y102-V133 HydrophobicContact CE1-CG2 4.27Å; Y102-V133 HydrophobicContact CE2-CB 4.38Å; Y102-V133 HydrophobicContact CE2-CG2 3.92Å; Y102-V133 WeakPolarHBondContact OH-CB 3.19Å; Y102-I151 PolarHBondContact N-O 2.8Å; Y102-L152 HydrophobicContact CE1-CD2 3.86Å; Y102-L152 HydrophobicContact CE2-CD2 4.02Å; Y102-L152 VanDerWaalsContact CZ-CD2 3.5Å; Y102-L152 WeakPolarHBondContact OH-CD2 3.42Å; Y102-C153 PolarHBondContact O-N 3.26Å |
| 103 | S | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | trans | -90.6 | 114.3 | 167.6 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | H105 L106 C153 | S103-H105 PolarHBondContact O-N 2.8Å; S103-L106 PolarHBondContact O-N 2.93Å; S103-L106 VanDerWaalsContact O-N 3.16Å; S103-C153 PolarHBondContact OG-O 3.3Å | ||
| 104 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -25.5 | 178 | 24.2 | -33.2 | 0 | 0 | 0 | 112.7 | Y102 L107 A108 P126 V129 V130 L168 | Y102-P104 HydrophobicContact CD2-CB 4.48Å; Y102-P104 HydrophobicContact CE2-CB 4Å; Y102-P104 WeakPolarHBondContact O-CD 3.4Å; P104-L107 PolarHBondContact O-N 3.39Å; P104-A108 PolarHBondContact O-N 3.36Å; P104-P126 HydrophobicContact CB-CB 4.14Å; P104-P126 WeakPolarHBondContact CB-O 3.49Å; P104-V129 HydrophobicContact CB-CB 4.3Å; P104-V129 HydrophobicContact CB-CG1 4.1Å; P104-V130 HydrophobicContact CB-CG2 3.66Å; P104-V130 HydrophobicContact CG-CG2 4.01Å; P104-L168 HydrophobicContact CG-CD1 4.1Å |
| 105 | H | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 177.2 | -64.2 | 85.9 | 0 | 0 | 0 | 111.9 | S103 L107 A108 V112 P116 W161 | S103-H105 PolarHBondContact O-N 2.8Å; H105-L107 PolarHBondContact O-N 2.82Å; H105-A108 PolarHBondContact O-N 3.25Å; H105-V112 HydrophobicContact CB-CG2 3.86Å; H105-P116 WeakPolarHBondContact O-CG 3.42Å; H105-W161 HydrophobicContact CB-CD2 3.7Å; H105-W161 HydrophobicContact CB-CE3 3.34Å; H105-W161 HydrophobicContact CB-CG 4.39Å; H105-W161 HydrophobicContact CB-CH2 4.1Å; H105-W161 HydrophobicContact CB-CZ2 4.42Å; H105-W161 HydrophobicContact CB-CZ3 3.56Å; H105-W161 AromaticContact CD2-CD2 3.89Å; H105-W161 AromaticContact CD2-CG 3.68Å; H105-W161 AromaticContact CG-CD2 3.71Å; H105-W161 AromaticContact CG-CE3 3.71Å; H105-W161 AromaticContact CG-CG 3.87Å |
| 106 | L | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 24.9 Ų | 24.9 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.7 | -18.2 | 179.7 | -65.8 | 179.6 | 0 | 0 | 0 | 113.3 | M69 A73 S103 P116 W117 M155 W161 | M69-L106 HydrophobicContact CE-CB 4.26Å; A73-L106 WeakPolarHBondContact CB-O 3.42Å; S103-L106 PolarHBondContact O-N 2.93Å; S103-L106 VanDerWaalsContact O-N 3.16Å; L106-P116 HydrophobicContact CD2-CB 4.14Å; L106-W117 HydrophobicContact CB-CZ2 4.19Å; L106-W117 HydrophobicContact CD1-CZ2 4.37Å; L106-W117 HydrophobicContact CD2-CZ2 3.99Å; L106-W117 HydrophobicContact CG-CZ2 4.41Å; L106-W117 PolarHBondContact O-NE1 3.47Å; L106-M155 HydrophobicContact CD1-CE 4.14Å; L106-M155 HydrophobicContact CD1-SD 4.24Å; L106-W161 HydrophobicContact CD2-CH2 3.96Å; L106-W161 HydrophobicContact CD2-CZ3 3.89Å; L106-W161 HydrophobicContact CG-CZ3 4.28Å |
| 107 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -99 | -6.9 | 177.2 | -67.1 | 171.1 | 0 | 0 | 0 | 113 | M69 I72 G74 I79 Y102 P104 H105 V129 | M69-L107 HydrophobicContact CE-CD2 3.66Å; M69-L107 HydrophobicContact CE-CG 4.33Å; I72-L107 HydrophobicContact CG2-CD2 4.09Å; G74-L107 PolarHBondContact N-O 2.88Å; I79-L107 HydrophobicContact CD1-CB 3.81Å; I79-L107 HydrophobicContact CG1-CB 4.35Å; Y102-L107 HydrophobicContact CD2-CD1 4.03Å; P104-L107 PolarHBondContact O-N 3.39Å; H105-L107 PolarHBondContact O-N 2.82Å; L107-V129 HydrophobicContact CB-CG1 3.75Å; L107-V129 HydrophobicContact CB-CG2 4.13Å; L107-V129 HydrophobicContact CD1-CG1 3.93Å; L107-V129 HydrophobicContact CG-CG1 4.49Å |
| 108 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -89.1 | 164 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | P104 H105 V112 Q119 L124 P126 V129 | P104-A108 PolarHBondContact O-N 3.36Å; H105-A108 PolarHBondContact O-N 3.25Å; A108-V112 HydrophobicContact CB-CG1 4.16Å; A108-Q119 PolarHBondContact O-NE2 2.56Å; A108-Q119 VanDerWaalsContact O-NE2 3.07Å; A108-L124 WeakPolarHBondContact CB-O 3.26Å; A108-P126 HydrophobicContact CB-CB 4.48Å; A108-P126 HydrophobicContact CB-CG 3.82Å; A108-V129 HydrophobicContact CB-CG2 4.12Å | ||
| 109 | N | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -134.4 | 12.8 | 173.4 | 65.9 | 9.8 | 0 | 0 | 0 | 113.2 | G74 Q119 E121 G122 D123 L124 | G74-N109 VanDerWaalsContact CA-ND2 3.3Å; G74-N109 WeakPolarHBondContact CA-ND2 3.4Å; G74-N109 PolarHBondContact O-ND2 2.94Å; N109-Q119 HydrophobicContact CB-CB 4.26Å; N109-E121 WeakPolarHBondContact O-CA 3.39Å; N109-G122 PolarHBondContact O-N 3.21Å; N109-G122 WeakPolarHBondContact OD1-CA 3.36Å; N109-D123 PolarHBondContact OD1-N 2.88Å; N109-L124 PolarHBondContact N-O 2.86Å; N109-L124 WeakPolarHBondContact OD1-CB 3.47Å; N109-L124 PolarHBondContact OD1-N 2.99Å; N109-L124 PolarHBondContact OD1-O 2.87Å |
| 110 | S | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -149.6 | 154.2 | 174.8 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | V112 G122 D123 L124 T125 P126 | S110-V112 PolarHBondContact O-N 2.92Å; S110-G122 VanDerWaalsContact CB-O 3.25Å; S110-G122 WeakPolarHBondContact CB-O 3.41Å; S110-D123 VanDerWaalsContact OG-C 3.28Å; S110-L124 PolarHBondContact N-O 2.8Å; S110-L124 PolarHBondContact OG-N 2.68Å; S110-L124 PolarHBondContact OG-O 2.98Å; S110-T125 WeakPolarHBondContact OG-CG2 3.01Å; S110-T125 PolarHBondContact OG-N 3.19Å; S110-P126 WeakPolarHBondContact O-CD 3.5Å |
| 111 | K | 98.6 | Very high | 98.7 | Very high | 178 Ų | 178 | 47 Ų | 47 | 77% | 0.774 | 24% | 0.244 | S | C | * | . | S | Bend | trans | 51.9 | 37.2 | -175.6 | -59.6 | -168.8 | 179.5 | 178.9 | 0 | 113.9 | T125 | K111-T125 HydrophobicContact CB-CG2 4.16Å; K111-T125 HydrophobicContact CD-CG2 3.79Å; K111-T125 HydrophobicContact CG-CG2 3.95Å |
| 112 | V | 98.6 | Very high | 98.7 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | trans | -136.9 | 130.6 | 173.4 | 53.1 | 0 | 0 | 0 | 0 | 107.1 | H105 A108 S110 P114 I115 P126 W161 | H105-V112 HydrophobicContact CB-CG2 3.86Å; A108-V112 HydrophobicContact CB-CG1 4.16Å; S110-V112 PolarHBondContact O-N 2.92Å; V112-P114 CarbonylContact O-C 3.55Å; V112-I115 HydrophobicContact CG1-CG1 4.33Å; V112-I115 VanDerWaalsContact O-CG1 3.32Å; V112-I115 WeakPolarHBondContact O-CG1 3.29Å; V112-I115 PolarHBondContact O-N 3.35Å; V112-P126 HydrophobicContact CB-CG 4.32Å; V112-W161 HydrophobicContact CG2-CH2 4.19Å; V112-W161 HydrophobicContact CG2-CZ2 3.57Å | ||
| 113 | E | 98 | Very high | 98.7 | Very high | 135 Ų | 135 | 53.7 Ų | 53.7 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -131.6 | 118.5 | -176.5 | 177.5 | 55.6 | -133.3 | 0 | 0 | 109.5 | N160 W161 | E113-N160 PolarHBondContact O-ND2 2.76Å; E113-W161 PolarHBondContact O-NE1 3.45Å |
| 114 | P | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 39% | 0.39 | 29% | 0.288 | S | S | . | . | S | Bend | cis | -69.9 | 154.2 | -6.4 | 30.8 | -35.6 | 0 | 0 | 0 | 112.6 | V112 | V112-P114 CarbonylContact O-C 3.55Š|
| 115 | I | 98.7 | Very high | 98.6 | Very high | 47 Ų | 47 | 55 Ų | 55 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 124.8 | 171.5 | -62.3 | 177.8 | 0 | 0 | 0 | 109 | V112 Q119 E121 | V112-I115 HydrophobicContact CG1-CG1 4.33Å; V112-I115 VanDerWaalsContact O-CG1 3.32Å; V112-I115 WeakPolarHBondContact O-CG1 3.29Å; V112-I115 PolarHBondContact O-N 3.35Å; I115-Q119 HydrophobicContact CG2-CB 3.82Å; I115-E121 HydrophobicContact CD1-CB 3.73Å; I115-E121 HydrophobicContact CD1-CG 4.07Å |
| 116 | P | 98.6 | Very high | 98.6 | Very high | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -77.2 | 162.8 | -172.5 | 32.2 | -36.2 | 0 | 0 | 0 | 112.2 | H105 L106 N118 Q119 | H105-P116 WeakPolarHBondContact O-CG 3.42Å; L106-P116 HydrophobicContact CD2-CB 4.14Å; P116-N118 PolarHBondContact O-N 2.84Å; P116-N118 VanDerWaalsContact O-N 3.13Å; P116-Q119 WeakPolarHBondContact O-CG 3.39Å; P116-Q119 PolarHBondContact O-N 2.87Å; P116-Q119 PolarHBondContact O-NE2 2.73Å |
| 117 | W | 98.5 | Very high | 98.7 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 22% | 0.223 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | 58.6 | 25.3 | 171.5 | -39.4 | 117 | 0 | 0 | 0 | 115.3 | F65 D66 M69 P70 A73 L106 Q119 | F65-W117 HydrophobicContact CB-CH2 3.96Å; F65-W117 HydrophobicContact CB-CZ3 4.46Å; D66-W117 WeakPolarHBondContact OD1-CZ3 3.18Å; M69-W117 HydrophobicContact CB-CD2 3.72Å; M69-W117 VanDerWaalsContact CB-CE2 3.47Å; M69-W117 HydrophobicContact CB-CE3 4.11Å; M69-W117 HydrophobicContact CB-CG 4.24Å; M69-W117 HydrophobicContact CB-CH2 4.08Å; M69-W117 HydrophobicContact CB-CZ2 3.67Å; M69-W117 HydrophobicContact CB-CZ3 4.28Å; M69-W117 HydrophobicContact CE-CZ2 3.9Å; M69-W117 HydrophobicContact CG-CH2 4.05Å; M69-W117 HydrophobicContact CG-CZ2 3.72Å; P70-W117 HydrophobicContact CG-CB 4.13Å; A73-W117 VanDerWaalsContact CB-CD1 3.48Å; L106-W117 HydrophobicContact CB-CZ2 4.19Å; L106-W117 HydrophobicContact CD1-CZ2 4.37Å; L106-W117 HydrophobicContact CD2-CZ2 3.99Å; L106-W117 HydrophobicContact CG-CZ2 4.41Å; L106-W117 PolarHBondContact O-NE1 3.47Å; W117-Q119 HydrophobicContact CB-CG 4.26Å; W117-Q119 PolarHBondContact O-N 3.2Å; W117-Q119 VanDerWaalsContact O-N 3.14Å |
| 118 | N | 98.4 | Very high | 98.6 | Very high | 164 Ų | 164 | 58.7 Ų | 58.7 | 88% | 0.877 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | 55.7 | 30.6 | -179.1 | -155.2 | 79.1 | 0 | 0 | 0 | 112.9 | P116 | P116-N118 PolarHBondContact O-N 2.84Å; P116-N118 VanDerWaalsContact O-N 3.13Å |
| 119 | Q | 98.6 | Very high | 98.7 | Very high | 33 Ų | 33 | 58.7 Ų | 58.7 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 147.8 | 175.4 | -64 | 170.2 | 95.7 | 0 | 0 | 110 | A73 A108 N109 I115 P116 W117 | A73-Q119 PolarHBondContact O-OE1 3.34Å; A108-Q119 PolarHBondContact O-NE2 2.56Å; A108-Q119 VanDerWaalsContact O-NE2 3.07Å; N109-Q119 HydrophobicContact CB-CB 4.26Å; I115-Q119 HydrophobicContact CG2-CB 3.82Å; P116-Q119 WeakPolarHBondContact O-CG 3.39Å; P116-Q119 PolarHBondContact O-N 2.87Å; P116-Q119 PolarHBondContact O-NE2 2.73Å; W117-Q119 HydrophobicContact CB-CG 4.26Å; W117-Q119 PolarHBondContact O-N 3.2Å; W117-Q119 VanDerWaalsContact O-N 3.14Å |
| 120 | A | 98.3 | Very high | 98.7 | Very high | 84 Ų | 84 | 57.9 Ų | 57.9 | 69% | 0.694 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 153.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G122 | A120-G122 PolarHBondContact O-N 3.11Š|
| 121 | E | 98.6 | Very high | 98.7 | Very high | 153 Ų | 153 | 58.3 Ų | 58.3 | 72% | 0.715 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 124.5 | 172.7 | -170.3 | 174.3 | -162.5 | 0 | 0 | 110.3 | N109 I115 | N109-E121 WeakPolarHBondContact O-CA 3.39Å; I115-E121 HydrophobicContact CD1-CB 3.73Å; I115-E121 HydrophobicContact CD1-CG 4.07Å |
| 122 | G | 98.5 | Very high | 98.7 | Very high | 35 Ų | 35 | 50.6 Ų | 50.6 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | trans | -114.2 | -145 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N109 S110 A120 | N109-G122 PolarHBondContact O-N 3.21Å; N109-G122 WeakPolarHBondContact OD1-CA 3.36Å; S110-G122 VanDerWaalsContact CB-O 3.25Å; S110-G122 WeakPolarHBondContact CB-O 3.41Å; A120-G122 PolarHBondContact O-N 3.11Å | ||
| 123 | D | 98.7 | Very high | 98.7 | Very high | 105 Ų | 105 | 50.1 Ų | 50.1 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -126 | 5 | -178.9 | 65.4 | -0.6 | 0 | 0 | 0 | 113.1 | R76 N109 S110 | R76-D123 IonicContact CZ-OD1 3.77Å; R76-D123 VanDerWaalsContact CZ-OD1 3.32Å; R76-D123 IonicContact NH1-OD1 3.63Å; R76-D123 PolarHBondContact NH1-OD1 3.25Å; R76-D123 IonicContact NH1-OD2 3.12Å; R76-D123 PolarHBondContact NH2-O 3.49Å; R76-D123 IonicContact NH2-OD1 3.75Å; R76-D123 PolarHBondContact NH2-OD1 2.88Å; R76-D123 IonicContact NH2-OD2 3.16Å; N109-D123 PolarHBondContact OD1-N 2.88Å; S110-D123 VanDerWaalsContact OG-C 3.28Å |
| 124 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -94.6 | 111 | -178.9 | -176.8 | 56.1 | 0 | 0 | 0 | 110 | R76 I79 A108 N109 S110 E128 V129 L132 | R76-L124 HydrophobicContact CG-CD1 3.93Å; R76-L124 HydrophobicContact CG-CD2 4.19Å; I79-L124 HydrophobicContact CD1-CD2 3.6Å; A108-L124 WeakPolarHBondContact CB-O 3.26Å; N109-L124 PolarHBondContact N-O 2.86Å; N109-L124 WeakPolarHBondContact OD1-CB 3.47Å; N109-L124 PolarHBondContact OD1-N 2.99Å; N109-L124 PolarHBondContact OD1-O 2.87Å; S110-L124 PolarHBondContact N-O 2.8Å; S110-L124 PolarHBondContact OG-N 2.68Å; S110-L124 PolarHBondContact OG-O 2.98Å; L124-E128 HydrophobicContact CD1-CB 3.89Å; L124-E128 HydrophobicContact CD1-CG 3.7Å; L124-E128 WeakPolarHBondContact CD1-OE2 3.46Å; L124-V129 HydrophobicContact CD1-CG2 4.28Å; L124-V129 HydrophobicContact CD2-CG2 4.36Å; L124-V129 HydrophobicContact CG-CG2 4.05Å; L124-L132 HydrophobicContact CD1-CD1 3.96Å | ||
| 125 | T | 98.9 | Very high | 98.8 | Very high | 29 Ų | 29 | 44.7 Ų | 44.7 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | trans | -94.4 | 158.3 | -176.3 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | S110 K111 D127 E128 V129 | S110-T125 WeakPolarHBondContact OG-CG2 3.01Å; S110-T125 PolarHBondContact OG-N 3.19Å; K111-T125 HydrophobicContact CB-CG2 4.16Å; K111-T125 HydrophobicContact CD-CG2 3.79Å; K111-T125 HydrophobicContact CG-CG2 3.95Å; T125-D127 PolarHBondContact O-N 2.71Å; T125-D127 VanDerWaalsContact O-N 3.14Å; T125-E128 PolarHBondContact O-N 3.49Å; T125-E128 VanDerWaalsContact O-N 3.1Å; T125-E128 PolarHBondContact OG1-N 2.8Å; T125-V129 WeakPolarHBondContact O-CG2 3.33Å; T125-V129 PolarHBondContact O-N 2.88Å | ||
| 126 | P | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55 | -32.6 | 174.2 | -25.8 | 33.5 | 0 | 0 | 0 | 113.3 | P104 A108 S110 V112 V129 V130 L168 | P104-P126 HydrophobicContact CB-CB 4.14Å; P104-P126 WeakPolarHBondContact CB-O 3.49Å; A108-P126 HydrophobicContact CB-CB 4.48Å; A108-P126 HydrophobicContact CB-CG 3.82Å; S110-P126 WeakPolarHBondContact O-CD 3.5Å; V112-P126 HydrophobicContact CB-CG 4.32Å; P126-V129 WeakPolarHBondContact O-CB 3.43Å; P126-V129 PolarHBondContact O-N 2.99Å; P126-V130 WeakPolarHBondContact O-CG2 3.28Å; P126-V130 PolarHBondContact O-N 2.95Å; P126-L168 HydrophobicContact CB-CD1 4.27Å |
| 127 | D | 98.9 | Very high | 98.8 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 20% | 0.198 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 177.1 | -172 | -70.1 | 0 | 0 | 0 | 112.5 | T125 V130 A131 L168 K171 Y172 | T125-D127 PolarHBondContact O-N 2.71Å; T125-D127 VanDerWaalsContact O-N 3.14Å; D127-V130 PolarHBondContact O-N 3.39Å; D127-A131 PolarHBondContact O-N 3.33Å; D127-L168 HydrophobicContact CB-CD2 3.81Å; D127-L168 WeakPolarHBondContact OD2-CD2 3.45Å; D127-K171 IonicContact OD1-NZ 2.73Å; D127-K171 PolarHBondContact OD1-NZ 3.09Å; D127-K171 IonicContact OD2-NZ 3.38Å; D127-K171 PolarHBondContact OD2-NZ 3.41Å; D127-Y172 PolarHBondContact O-OH 2.96Å; D127-Y172 PolarHBondContact OD1-OH 3.44Å |
| 128 | E | 98.9 | Very high | 98.8 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.1 | -32.7 | 178.8 | -177.8 | 177.7 | -169.4 | 0 | 0 | 111.9 | R76 L124 T125 V130 A131 L132 | R76-E128 WeakPolarHBondContact CD-OE1 3.12Å; R76-E128 IonicContact CZ-OE1 2.88Å; R76-E128 IonicContact CZ-OE2 3.25Å; R76-E128 VanDerWaalsContact NE-CD 3.31Å; R76-E128 IonicContact NE-OE1 2.75Å; R76-E128 PolarHBondContact NE-OE1 2.91Å; R76-E128 IonicContact NE-OE2 3.41Å; R76-E128 PolarHBondContact NE-OE2 2.85Å; R76-E128 IonicContact NH2-OE1 3.1Å; R76-E128 IonicContact NH2-OE2 3.53Å; R76-E128 PolarHBondContact NH2-OE2 3.12Å; L124-E128 HydrophobicContact CD1-CB 3.89Å; L124-E128 HydrophobicContact CD1-CG 3.7Å; L124-E128 WeakPolarHBondContact CD1-OE2 3.46Å; T125-E128 PolarHBondContact O-N 3.49Å; T125-E128 VanDerWaalsContact O-N 3.1Å; T125-E128 PolarHBondContact OG1-N 2.8Å; E128-V130 VanDerWaalsContact C-N 3.29Å; E128-V130 PolarHBondContact O-N 3.04Å; E128-A131 PolarHBondContact O-N 3Å; E128-L132 HydrophobicContact CG-CD1 4.06Å; E128-L132 HydrophobicContact CG-CG 4.37Å; E128-L132 VanDerWaalsContact O-CG 3.32Å; E128-L132 WeakPolarHBondContact O-CG 3.39Å; E128-L132 PolarHBondContact O-N 3.05Å |
| 129 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.8 | -47.1 | 170.5 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | I79 Y102 P104 L107 A108 L124 T125 P126 A131 L132 V133 | I79-V129 HydrophobicContact CD1-CB 4.49Å; I79-V129 HydrophobicContact CD1-CG1 4.24Å; I79-V129 HydrophobicContact CD1-CG2 3.78Å; I79-V129 HydrophobicContact CG2-CG1 4.15Å; Y102-V129 HydrophobicContact CE2-CG1 4.02Å; P104-V129 HydrophobicContact CB-CB 4.3Å; P104-V129 HydrophobicContact CB-CG1 4.1Å; L107-V129 HydrophobicContact CB-CG1 3.75Å; L107-V129 HydrophobicContact CB-CG2 4.13Å; L107-V129 HydrophobicContact CD1-CG1 3.93Å; L107-V129 HydrophobicContact CG-CG1 4.49Å; A108-V129 HydrophobicContact CB-CG2 4.12Å; L124-V129 HydrophobicContact CD1-CG2 4.28Å; L124-V129 HydrophobicContact CD2-CG2 4.36Å; L124-V129 HydrophobicContact CG-CG2 4.05Å; T125-V129 WeakPolarHBondContact O-CG2 3.33Å; T125-V129 PolarHBondContact O-N 2.88Å; P126-V129 WeakPolarHBondContact O-CB 3.43Å; P126-V129 PolarHBondContact O-N 2.99Å; V129-A131 VanDerWaalsContact C-N 3.33Å; V129-A131 PolarHBondContact O-N 3.25Å; V129-L132 PolarHBondContact O-N 2.83Å; V129-V133 HydrophobicContact CG1-CG2 4.35Å; V129-V133 WeakPolarHBondContact O-CG2 3.25Å; V129-V133 PolarHBondContact O-N 3.38Å |
| 130 | V | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | Y102 P104 P126 D127 E128 L132 V133 G134 L152 L168 Y172 V177 | Y102-V130 WeakPolarHBondContact OH-CA 3.35Å; P104-V130 HydrophobicContact CB-CG2 3.66Å; P104-V130 HydrophobicContact CG-CG2 4.01Å; P126-V130 WeakPolarHBondContact O-CG2 3.28Å; P126-V130 PolarHBondContact O-N 2.95Å; D127-V130 PolarHBondContact O-N 3.39Å; E128-V130 VanDerWaalsContact C-N 3.29Å; E128-V130 PolarHBondContact O-N 3.04Å; V130-L132 VanDerWaalsContact C-N 3.35Å; V130-L132 PolarHBondContact O-N 2.85Å; V130-V133 PolarHBondContact O-N 2.92Å; V130-G134 PolarHBondContact O-N 3.38Å; V130-L152 HydrophobicContact CG1-CD1 4.23Å; V130-L152 HydrophobicContact CG1-CD2 4.37Å; V130-L152 HydrophobicContact CG2-CD1 3.79Å; V130-L152 HydrophobicContact CG2-CD2 3.92Å; V130-L168 HydrophobicContact CG2-CB 4.39Å; V130-L168 HydrophobicContact CG2-CD1 3.99Å; V130-Y172 HydrophobicContact CB-CD2 3.96Å; V130-Y172 HydrophobicContact CB-CE2 4.08Å; V130-Y172 HydrophobicContact CB-CG 4.33Å; V130-Y172 HydrophobicContact CG1-CD1 4.04Å; V130-Y172 HydrophobicContact CG1-CD2 3.49Å; V130-Y172 VanDerWaalsContact CG1-CD2 3.49Å; V130-Y172 HydrophobicContact CG1-CE2 4.1Å; V130-Y172 HydrophobicContact CG1-CG 3.46Å; V130-Y172 VanDerWaalsContact CG1-CG 3.46Å; V130-V177 HydrophobicContact CG1-CG2 3.75Å |
| 131 | A | 98.9 | Very high | 98.9 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 13% | 0.132 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D127 E128 V129 Q135 Y172 | D127-A131 PolarHBondContact O-N 3.33Å; E128-A131 PolarHBondContact O-N 3Å; V129-A131 VanDerWaalsContact C-N 3.33Å; V129-A131 PolarHBondContact O-N 3.25Å; A131-Q135 VanDerWaalsContact O-CG 3.24Å; A131-Q135 WeakPolarHBondContact O-CG 3.13Å; A131-Q135 PolarHBondContact O-N 3.26Å; A131-Q135 PolarHBondContact O-NE2 3.09Å; A131-Y172 HydrophobicContact CB-CE1 3.82Å |
| 132 | L | 98.9 | Very high | 98.9 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.3 | -43.3 | -179 | -71.9 | 165.6 | 0 | 0 | 0 | 112.6 | R76 I79 K80 L124 E128 V129 V130 Q135 G136 | R76-L132 HydrophobicContact CB-CD1 3.92Å; R76-L132 HydrophobicContact CG-CD1 3.88Å; I79-L132 HydrophobicContact CG2-CB 3.88Å; K80-L132 HydrophobicContact CB-CB 4.46Å; K80-L132 HydrophobicContact CB-CD2 4.37Å; L124-L132 HydrophobicContact CD1-CD1 3.96Å; E128-L132 HydrophobicContact CG-CD1 4.06Å; E128-L132 HydrophobicContact CG-CG 4.37Å; E128-L132 VanDerWaalsContact O-CG 3.32Å; E128-L132 WeakPolarHBondContact O-CG 3.39Å; E128-L132 PolarHBondContact O-N 3.05Å; V129-L132 PolarHBondContact O-N 2.83Å; V130-L132 VanDerWaalsContact C-N 3.35Å; V130-L132 PolarHBondContact O-N 2.85Å; L132-Q135 PolarHBondContact O-N 3.3Å; L132-G136 PolarHBondContact O-N 2.64Å |
| 133 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 109.8 | L18 I79 A83 Y102 V129 V130 Q135 G136 L137 | L18-V133 HydrophobicContact CD2-CG1 3.76Å; L18-V133 HydrophobicContact CD2-CG2 3.92Å; I79-V133 HydrophobicContact CG2-CG2 3.53Å; A83-V133 HydrophobicContact CB-CB 4.39Å; A83-V133 HydrophobicContact CB-CG1 3.97Å; A83-V133 WeakPolarHBondContact CB-O 3.28Å; Y102-V133 HydrophobicContact CD1-CG1 4.28Å; Y102-V133 HydrophobicContact CE1-CB 4.11Å; Y102-V133 HydrophobicContact CE1-CG1 3.51Å; Y102-V133 HydrophobicContact CE1-CG2 4.27Å; Y102-V133 HydrophobicContact CE2-CB 4.38Å; Y102-V133 HydrophobicContact CE2-CG2 3.92Å; Y102-V133 WeakPolarHBondContact OH-CB 3.19Å; V129-V133 HydrophobicContact CG1-CG2 4.35Å; V129-V133 WeakPolarHBondContact O-CG2 3.25Å; V129-V133 PolarHBondContact O-N 3.38Å; V130-V133 PolarHBondContact O-N 2.92Å; V133-Q135 VanDerWaalsContact C-N 3.33Å; V133-Q135 PolarHBondContact O-N 2.89Å; V133-G136 PolarHBondContact O-N 2.87Å; V133-G136 VanDerWaalsContact O-N 3.11Å; V133-L137 HydrophobicContact CG1-CD1 3.96Å; V133-L137 HydrophobicContact CG1-CG 4.13Å; V133-L137 WeakPolarHBondContact O-CG 3.47Å; V133-L137 PolarHBondContact O-N 3.03Å |
| 134 | G | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52.3 | -52.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V130 G136 L137 Q138 | V130-G134 PolarHBondContact O-N 3.38Å; G134-G136 VanDerWaalsContact C-N 3.33Å; G134-G136 PolarHBondContact O-N 3.02Å; G134-L137 PolarHBondContact O-N 3.31Å; G134-L137 VanDerWaalsContact O-N 3.17Å; G134-Q138 WeakPolarHBondContact O-CB 3.41Å; G134-Q138 PolarHBondContact O-N 2.73Å; G134-Q138 PolarHBondContact O-NE2 3.33Å |
| 135 | Q | 98.9 | Very high | 98.9 | Very high | 79 Ų | 79 | 38.3 Ų | 38.3 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54 | -46 | 177.1 | -71.2 | 165.5 | 33.5 | 0 | 0 | 113.1 | K80 A131 L132 V133 Q138 E139 | K80-Q135 HydrophobicContact CD-CB 4.25Å; A131-Q135 VanDerWaalsContact O-CG 3.24Å; A131-Q135 WeakPolarHBondContact O-CG 3.13Å; A131-Q135 PolarHBondContact O-N 3.26Å; A131-Q135 PolarHBondContact O-NE2 3.09Å; L132-Q135 PolarHBondContact O-N 3.3Å; V133-Q135 VanDerWaalsContact C-N 3.33Å; V133-Q135 PolarHBondContact O-N 2.89Å; Q135-Q138 PolarHBondContact O-N 3.35Å; Q135-E139 WeakPolarHBondContact O-CB 3.37Å; Q135-E139 WeakPolarHBondContact O-CG 3.32Å; Q135-E139 PolarHBondContact O-N 3.3Å |
| 136 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y84 L132 V133 G134 G140 | Y84-G136 WeakPolarHBondContact CA-O 3.41Å; L132-G136 PolarHBondContact O-N 2.64Å; V133-G136 PolarHBondContact O-N 2.87Å; V133-G136 VanDerWaalsContact O-N 3.11Å; G134-G136 VanDerWaalsContact C-N 3.33Å; G134-G136 PolarHBondContact O-N 3.02Å; G136-G140 PolarHBondContact O-N 2.87Å |
| 137 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.9 | -65 | -179.6 | 0 | 0 | 0 | 112 | A83 F86 V87 V100 V133 G134 G140 E141 A148 T176 | A83-L137 HydrophobicContact CB-CD2 4.12Å; A83-L137 HydrophobicContact CB-CG 4.17Å; F86-L137 HydrophobicContact CD1-CD2 4.18Å; V87-L137 HydrophobicContact CG2-CD2 3.74Å; V100-L137 HydrophobicContact CG1-CD1 3.77Å; V100-L137 HydrophobicContact CG1-CD2 3.95Å; V133-L137 HydrophobicContact CG1-CD1 3.96Å; V133-L137 HydrophobicContact CG1-CG 4.13Å; V133-L137 WeakPolarHBondContact O-CG 3.47Å; V133-L137 PolarHBondContact O-N 3.03Å; G134-L137 PolarHBondContact O-N 3.31Å; G134-L137 VanDerWaalsContact O-N 3.17Å; L137-G140 PolarHBondContact O-N 3.34Å; L137-E141 WeakPolarHBondContact O-CB 3.24Å; L137-E141 PolarHBondContact O-N 2.94Å; L137-A148 HydrophobicContact CB-CB 4.24Å; L137-A148 HydrophobicContact CD2-CB 4.33Å; L137-T176 HydrophobicContact CB-CG2 3.75Å; L137-T176 HydrophobicContact CD1-CG2 3.92Å; L137-T176 HydrophobicContact CG-CG2 4.49Å |
| 138 | Q | 98.9 | Very high | 98.9 | Very high | 72 Ų | 72 | 36.6 Ų | 36.6 | 34% | 0.336 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 176.8 | -96 | 89.1 | -127.1 | 0 | 0 | 112.4 | G134 Q135 G140 E141 R142 | G134-Q138 WeakPolarHBondContact O-CB 3.41Å; G134-Q138 PolarHBondContact O-N 2.73Å; G134-Q138 PolarHBondContact O-NE2 3.33Å; Q135-Q138 PolarHBondContact O-N 3.35Å; Q138-G140 VanDerWaalsContact C-N 3.35Å; Q138-E141 PolarHBondContact O-N 3.4Å; Q138-R142 PolarHBondContact O-N 3.41Å; Q138-R142 VanDerWaalsContact O-N 3.14Å |
| 139 | E | 98.9 | Very high | 98.9 | Very high | 64 Ų | 64 | 35.3 Ų | 35.3 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.6 | -42 | 177.2 | -73.9 | 170.1 | -170.6 | 0 | 0 | 110.9 | K80 Y84 Q135 R142 D143 | K80-E139 VanDerWaalsContact CE-CD 3.41Å; K80-E139 VanDerWaalsContact CE-OE1 3.25Å; K80-E139 WeakPolarHBondContact CE-OE1 3.1Å; K80-E139 WeakPolarHBondContact CE-OE2 3.48Å; K80-E139 IonicContact NZ-OE1 2.72Å; K80-E139 PolarHBondContact NZ-OE1 3.18Å; K80-E139 IonicContact NZ-OE2 3.69Å; K80-E139 PolarHBondContact NZ-OE2 3Å; Y84-E139 HydrophobicContact CD2-CB 3.77Å; Y84-E139 HydrophobicContact CE2-CB 4.08Å; Q135-E139 WeakPolarHBondContact O-CB 3.37Å; Q135-E139 WeakPolarHBondContact O-CG 3.32Å; Q135-E139 PolarHBondContact O-N 3.3Å; E139-R142 PolarHBondContact O-N 3.45Å; E139-D143 WeakPolarHBondContact O-CB 3.22Å; E139-D143 VanDerWaalsContact O-CG 3.28Å; E139-D143 PolarHBondContact O-N 3.28Å; E139-D143 VanDerWaalsContact O-N 3.07Å |
| 140 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G136 L137 Q138 R142 D143 F144 | G136-G140 PolarHBondContact O-N 2.87Å; L137-G140 PolarHBondContact O-N 3.34Å; Q138-G140 VanDerWaalsContact C-N 3.35Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 2.81Å; G140-D143 PolarHBondContact O-N 2.92Å; G140-F144 WeakPolarHBondContact O-CB 3.41Å; G140-F144 WeakPolarHBondContact O-CD2 3.48Å; G140-F144 PolarHBondContact O-N 3.19Å |
| 141 | E | 98.9 | Very high | 98.9 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 23% | 0.229 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 176.9 | 172.3 | 167.8 | 162.5 | 0 | 0 | 110.7 | L137 Q138 G145 V146 A148 R149 | L137-E141 WeakPolarHBondContact O-CB 3.24Å; L137-E141 PolarHBondContact O-N 2.94Å; Q138-E141 PolarHBondContact O-N 3.4Å; E141-G145 WeakPolarHBondContact O-CA 3.31Å; E141-G145 PolarHBondContact O-N 3.47Å; E141-V146 WeakPolarHBondContact CA-O 3.43Å; E141-V146 WeakPolarHBondContact CB-O 3.36Å; E141-V146 WeakPolarHBondContact CG-O 3.41Å; E141-A148 PolarHBondContact OE2-N 3.38Å; E141-R149 IonicContact OE1-NH1 3.56Å; E141-R149 IonicContact OE2-CZ 2.71Å; E141-R149 IonicContact OE2-NH1 2.68Å; E141-R149 PolarHBondContact OE2-NH1 2.81Å |
| 142 | R | 98.9 | Very high | 98.9 | Very high | 172 Ų | 172 | 34.5 Ų | 34.5 | 65% | 0.649 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -60.6 | -45.6 | 176.1 | -177.1 | -165.2 | 68.7 | -150.6 | -8.7 | 112.3 | Q138 E139 G140 | Q138-R142 PolarHBondContact O-N 3.41Å; Q138-R142 VanDerWaalsContact O-N 3.14Å; E139-R142 PolarHBondContact O-N 3.45Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 2.81Å |
| 143 | D | 98.9 | Very high | 98.9 | Very high | 72 Ų | 72 | 33.7 Ų | 33.7 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -85 | -25 | -169.1 | -66.3 | -16 | 0 | 0 | 0 | 113.1 | Y84 E139 G140 | Y84-D143 HydrophobicContact CE2-CB 4.34Å; Y84-D143 WeakPolarHBondContact CE2-OD2 3.33Å; Y84-D143 PolarHBondContact OH-OD2 3.41Å; E139-D143 WeakPolarHBondContact O-CB 3.22Å; E139-D143 VanDerWaalsContact O-CG 3.28Å; E139-D143 PolarHBondContact O-N 3.28Å; E139-D143 VanDerWaalsContact O-N 3.07Å; G140-D143 PolarHBondContact O-N 2.92Å |
| 144 | F | 98.8 | Very high | 98.9 | Very high | 65 Ų | 65 | 33.7 Ų | 33.7 | 29% | 0.285 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -117.1 | -7.3 | -174.9 | -51.6 | -58.8 | 0 | 0 | 0 | 114.6 | Y84 V87 E88 A91 G140 V146 | Y84-F144 HydrophobicContact CD1-CE2 4.21Å; Y84-F144 HydrophobicContact CD1-CZ 4.5Å; Y84-F144 HydrophobicContact CD2-CE2 4.37Å; Y84-F144 AromaticContact CE1-CE2 3.67Å; Y84-F144 HydrophobicContact CE1-CE2 3.67Å; Y84-F144 AromaticContact CE1-CZ 3.6Å; Y84-F144 HydrophobicContact CE1-CZ 3.6Å; Y84-F144 AromaticContact CE2-CE2 3.85Å; Y84-F144 HydrophobicContact CE2-CE2 3.85Å; Y84-F144 HydrophobicContact CE2-CZ 4.27Å; Y84-F144 AromaticContact CZ-CE2 3.46Å; Y84-F144 VanDerWaalsContact CZ-CE2 3.46Å; Y84-F144 AromaticContact CZ-CZ 3.46Å; Y84-F144 VanDerWaalsContact CZ-CZ 3.46Å; Y84-F144 VanDerWaalsContact OH-CZ 3.26Å; Y84-F144 WeakPolarHBondContact OH-CZ 3.47Å; V87-F144 HydrophobicContact CB-CD2 4.28Å; V87-F144 HydrophobicContact CG1-CB 4.39Å; V87-F144 HydrophobicContact CG1-CD2 4.24Å; E88-F144 HydrophobicContact CB-CD1 4.42Å; E88-F144 HydrophobicContact CB-CD2 3.87Å; E88-F144 HydrophobicContact CB-CE1 4.08Å; E88-F144 HydrophobicContact CB-CE2 3.48Å; E88-F144 VanDerWaalsContact CB-CE2 3.48Å; E88-F144 HydrophobicContact CB-CG 4.34Å; E88-F144 HydrophobicContact CB-CZ 3.59Å; E88-F144 HydrophobicContact CG-CD1 4.18Å; E88-F144 HydrophobicContact CG-CD2 4.49Å; E88-F144 HydrophobicContact CG-CE1 3.67Å; E88-F144 HydrophobicContact CG-CE2 4.02Å; E88-F144 HydrophobicContact CG-CZ 3.57Å; A91-F144 HydrophobicContact CB-CB 4.08Å; G140-F144 WeakPolarHBondContact O-CB 3.41Å; G140-F144 WeakPolarHBondContact O-CD2 3.48Å; G140-F144 PolarHBondContact O-N 3.19Å; F144-V146 VanDerWaalsContact C-N 3.33Å; F144-V146 PolarHBondContact O-N 3.13Å |
| 145 | G | 98.6 | Very high | 98.9 | Very high | 66 Ų | 66 | 34.6 Ų | 34.6 | 68% | 0.68 | 17% | 0.172 | S | C | * | . | trans | 71.3 | 23.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E141 | E141-G145 WeakPolarHBondContact O-CA 3.31Å; E141-G145 PolarHBondContact O-N 3.47Å | ||
| 146 | V | 98.8 | Very high | 98.9 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | trans | -109.5 | 118.3 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | V87 A91 V95 V98 E141 F144 A148 | V87-V146 HydrophobicContact CG1-CB 3.82Å; V87-V146 HydrophobicContact CG1-CG1 4.45Å; A91-V146 HydrophobicContact CB-CG2 3.59Å; V95-V146 HydrophobicContact CG1-CG1 4.13Å; V95-V146 VanDerWaalsContact O-CG2 3.27Å; V95-V146 WeakPolarHBondContact O-CG2 3.29Å; V98-V146 HydrophobicContact CG1-CG1 4.21Å; E141-V146 WeakPolarHBondContact CA-O 3.43Å; E141-V146 WeakPolarHBondContact CB-O 3.36Å; E141-V146 WeakPolarHBondContact CG-O 3.41Å; F144-V146 VanDerWaalsContact C-N 3.33Å; F144-V146 PolarHBondContact O-N 3.13Å; V146-A148 PolarHBondContact O-N 3.41Å | ||
| 147 | K | 98.9 | Very high | 98.9 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 14% | 0.143 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 120.3 | 178.3 | -173.4 | -177.5 | -63.8 | -99.6 | 0 | 109.2 | V96 Y97 V98 L335 E339 E342 | V96-K147 PolarHBondContact O-N 2.99Å; Y97-K147 WeakPolarHBondContact CA-O 3.14Å; Y97-K147 HydrophobicContact CD2-CB 3.96Å; Y97-K147 HydrophobicContact CD2-CD 4.03Å; Y97-K147 HydrophobicContact CD2-CG 3.92Å; Y97-K147 WeakPolarHBondContact CD2-O 3.45Å; Y97-K147 HydrophobicContact CE2-CD 4.3Å; Y97-K147 HydrophobicContact CE2-CG 4.28Å; V98-K147 PolarHBondContact N-O 3.04Å; K147-L335 HydrophobicContact CD-CD1 4Å; K147-L335 HydrophobicContact CD-CD2 3.93Å; K147-E339 IonicContact NZ-OE2 3.23Å; K147-E339 PolarHBondContact NZ-OE2 3.23Å; K147-E342 IonicContact NZ-OE2 3.95Å; K147-E342 PolarHBondContact NZ-OE2 2.94Å; K147-E342 VanDerWaalsContact NZ-OE2 3.13Å |
| 148 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V87 V98 L137 E141 V146 T176 | V87-A148 HydrophobicContact CG2-CB 3.9Å; V98-A148 HydrophobicContact CG1-CB 4.04Å; L137-A148 HydrophobicContact CB-CB 4.24Å; L137-A148 HydrophobicContact CD2-CB 4.33Å; E141-A148 PolarHBondContact OE2-N 3.38Å; V146-A148 PolarHBondContact O-N 3.41Å; A148-T176 WeakPolarHBondContact O-CG2 3.41Å |
| 149 | R | 98.9 | Very high | 98.9 | Very high | 31 Ų | 31 | 35 Ų | 35 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 162.2 | 173 | -64 | -65 | 174.6 | -88.3 | -0.9 | 109.5 | Y97 V98 E99 V100 E141 T176 V178 L335 E339 | Y97-R149 HydrophobicContact CE2-CB 4.33Å; Y97-R149 HydrophobicContact CE2-CG 3.86Å; V98-R149 PolarHBondContact O-N 2.97Å; E99-R149 WeakPolarHBondContact CA-O 3.41Å; E99-R149 HydrophobicContact CG-CB 4.39Å; V100-R149 PolarHBondContact N-O 3.1Å; E141-R149 IonicContact OE1-NH1 3.56Å; E141-R149 IonicContact OE2-CZ 2.71Å; E141-R149 IonicContact OE2-NH1 2.68Å; E141-R149 PolarHBondContact OE2-NH1 2.81Å; R149-T176 CarbonylContact C-O 3.4Å; R149-T176 WeakPolarHBondContact CA-O 3.4Å; R149-T176 WeakPolarHBondContact CB-O 3.45Å; R149-T176 WeakPolarHBondContact CD-O 3.43Å; R149-V178 HydrophobicContact CB-CB 4.45Å; R149-V178 HydrophobicContact CB-CG1 3.76Å; R149-V178 HydrophobicContact CB-CG2 3.82Å; R149-V178 HydrophobicContact CG-CG1 3.78Å; R149-L335 HydrophobicContact CG-CD2 3.94Å; R149-E339 IonicContact CZ-OE2 3.39Å; R149-E339 IonicContact NH2-OE1 2.7Å; R149-E339 IonicContact NH2-OE2 3.56Å; R149-E339 PolarHBondContact NH2-OE2 2.87Å |
| 150 | S | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149.4 | -176.4 | 58.2 | 0 | 0 | 0 | 0 | 113 | V100 T176 V177 V178 | V100-S150 CarbonylContact O-C 3.42Å; V100-S150 WeakPolarHBondContact O-CA 3.25Å; S150-T176 PolarHBondContact N-O 3.43Å; S150-T176 WeakPolarHBondContact OG-CB 3.33Å; S150-T176 PolarHBondContact OG-O 2.54Å; S150-T176 PolarHBondContact OG-OG1 2.79Å; S150-V177 CarbonylContact O-C 3.34Å; S150-V177 VanDerWaalsContact O-CA 3.29Å; S150-V177 WeakPolarHBondContact O-CA 3.24Å; S150-V177 WeakPolarHBondContact OG-CA 3.48Å; S150-V177 WeakPolarHBondContact OG-CG2 3.43Å; S150-V177 PolarHBondContact OG-N 3Å; S150-V178 PolarHBondContact O-N 2.99Å |
| 151 | I | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.5 | 174.3 | -56.2 | -176.9 | 0 | 0 | 0 | 108.2 | E99 V100 R101 Y102 V178 A179 D181 T212 F334 | E99-I151 HydrophobicContact CB-CD1 4.01Å; E99-I151 HydrophobicContact CB-CG1 4.28Å; E99-I151 WeakPolarHBondContact OE2-CD1 3.23Å; V100-I151 PolarHBondContact O-N 3.48Å; R101-I151 VanDerWaalsContact CA-O 3.3Å; R101-I151 WeakPolarHBondContact CA-O 3.2Å; R101-I151 HydrophobicContact CB-CB 3.86Å; R101-I151 HydrophobicContact CB-CG2 4.33Å; Y102-I151 PolarHBondContact N-O 2.8Å; I151-V178 HydrophobicContact CG1-CG2 4.29Å; I151-A179 HydrophobicContact CD1-CB 4.28Å; I151-A179 HydrophobicContact CG1-CB 4.07Å; I151-A179 HydrophobicContact CG2-CB 4.09Å; I151-D181 HydrophobicContact CG2-CB 3.58Å; I151-T212 HydrophobicContact CD1-CG2 4.16Å; I151-T212 HydrophobicContact CG2-CG2 4.25Å; I151-F334 HydrophobicContact CD1-CD2 4.29Å; I151-F334 HydrophobicContact CD1-CE2 4.37Å |
| 152 | L | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123 | 179.3 | -52.7 | -175.5 | 0 | 0 | 0 | 110.5 | Y102 V130 V165 L168 V177 A179 I180 D181 | Y102-L152 HydrophobicContact CE1-CD2 3.86Å; Y102-L152 HydrophobicContact CE2-CD2 4.02Å; Y102-L152 VanDerWaalsContact CZ-CD2 3.5Å; Y102-L152 WeakPolarHBondContact OH-CD2 3.42Å; V130-L152 HydrophobicContact CG1-CD1 4.23Å; V130-L152 HydrophobicContact CG1-CD2 4.37Å; V130-L152 HydrophobicContact CG2-CD1 3.79Å; V130-L152 HydrophobicContact CG2-CD2 3.92Å; L152-V165 HydrophobicContact CB-CG1 3.73Å; L152-V165 WeakPolarHBondContact O-CG1 3.46Å; L152-L168 HydrophobicContact CD1-CB 3.61Å; L152-V177 HydrophobicContact CD1-CG1 4.1Å; L152-V177 HydrophobicContact CD1-CG2 4.21Å; L152-V177 HydrophobicContact CD2-CG2 4.25Å; L152-V177 HydrophobicContact CG-CG1 3.88Å; L152-V177 HydrophobicContact CG-CG2 4.21Å; L152-A179 PolarHBondContact N-O 3.12Å; L152-A179 VanDerWaalsContact N-O 3.15Å; L152-I180 WeakPolarHBondContact O-CA 3.06Å; L152-D181 PolarHBondContact O-N 3.19Å |
| 153 | C | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.9 | -176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | Y102 S103 M155 D181 A183 | Y102-C153 PolarHBondContact O-N 3.26Å; S103-C153 PolarHBondContact OG-O 3.3Å; C153-M155 HydrophobicContact CB-SD 4.37Å; C153-D181 PolarHBondContact SG-OD2 3.31Å; C153-A183 HydrophobicContact CB-CB 4.27Å |
| 154 | C | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 152.1 | 148.8 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | S162 D181 L182 A183 | C154-S162 VanDerWaalsContact CB-OG 3.29Å; C154-S162 WeakPolarHBondContact CB-OG 3.27Å; C154-S162 VanDerWaalsContact SG-CB 3.58Å; C154-S162 PolarHBondContact SG-OG 3.13Å; C154-D181 WeakPolarHBondContact CB-O 3.34Å; C154-D181 PolarHBondContact N-O 2.76Å; C154-L182 HydrophobicContact CB-CB 4.47Å; C154-L182 HydrophobicContact CB-CD1 3.7Å; C154-A183 PolarHBondContact O-N 3.23Å |
| 155 | M | 98.9 | Very high | 98.9 | Very high | 19 Ų | 19 | 26.1 Ų | 26.1 | 9% | 0.094 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.2 | 176.1 | -58.8 | -55.1 | -64.1 | 0 | 0 | 109.5 | L106 C153 H157 Q158 W161 A183 H197 | L106-M155 HydrophobicContact CD1-CE 4.14Å; L106-M155 HydrophobicContact CD1-SD 4.24Å; C153-M155 HydrophobicContact CB-SD 4.37Å; M155-H157 PolarHBondContact O-N 3.1Å; M155-Q158 HydrophobicContact CB-CB 4.28Å; M155-Q158 HydrophobicContact CB-CG 4.5Å; M155-Q158 CarbonylContact O-C 3.47Å; M155-Q158 PolarHBondContact O-N 2.61Å; M155-W161 HydrophobicContact CB-CE3 4.45Å; M155-W161 HydrophobicContact CG-CE3 4.17Å; M155-W161 HydrophobicContact CG-CZ3 4.08Å; M155-A183 WeakPolarHBondContact CA-O 3.34Å; M155-A183 HydrophobicContact SD-CB 4.46Å; M155-H197 PolarHBondContact O-CE1 2.72Å |
| 156 | R | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -31.5 | -176.2 | -75.9 | 178.4 | 175.2 | -78.8 | 0.5 | 114.9 | L182 A183 D185 I188 S191 S192 H197 H214 | R156-L182 HydrophobicContact CG-CD1 3.86Å; R156-L182 HydrophobicContact CG-CD2 4.32Å; R156-L182 HydrophobicContact CG-CG 3.92Å; R156-A183 WeakPolarHBondContact CG-O 3.26Å; R156-A183 PolarHBondContact N-O 3.18Å; R156-D185 VanDerWaalsContact CD-C 3.45Å; R156-D185 WeakPolarHBondContact CD-O 3.18Å; R156-I188 HydrophobicContact CB-CD1 4.3Å; R156-S191 PolarHBondContact NH1-OG 3.22Å; R156-S192 PolarHBondContact NH1-OG 2.87Å; R156-S192 VanDerWaalsContact NH1-OG 3.16Å; R156-H197 PolarHBondContact O-NE2 2.72Å; R156-H214 PolarHBondContact NH2-O 2.57Å |
| 157 | H | 98.6 | Very high | 98.9 | Very high | 92 Ų | 92 | 27.6 Ų | 27.6 | 43% | 0.426 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.3 | 179.1 | 68.1 | -78.7 | 0 | 0 | 0 | 114 | M155 I188 | M155-H157 PolarHBondContact O-N 3.1Å; H157-I188 HydrophobicContact CB-CD1 3.72Å |
| 158 | Q | 98.8 | Very high | 98.9 | Very high | 29 Ų | 29 | 26 Ų | 26 | 14% | 0.136 | 13% | 0.131 | C | C | . | . | trans | -129.9 | 67.6 | -177 | -58.7 | -68.5 | -1.4 | 0 | 0 | 112 | M155 N160 W161 | M155-Q158 HydrophobicContact CB-CB 4.28Å; M155-Q158 HydrophobicContact CB-CG 4.5Å; M155-Q158 CarbonylContact O-C 3.47Å; M155-Q158 PolarHBondContact O-N 2.61Å; Q158-N160 PolarHBondContact O-N 3.24Å; Q158-N160 PolarHBondContact OE1-OD1 3.36Å; Q158-W161 HydrophobicContact CB-CB 4.31Å; Q158-W161 HydrophobicContact CB-CD2 3.43Å; Q158-W161 VanDerWaalsContact CB-CD2 3.43Å; Q158-W161 HydrophobicContact CB-CE3 3.58Å; Q158-W161 HydrophobicContact CB-CG 3.79Å; Q158-W161 HydrophobicContact CB-CH2 4.43Å; Q158-W161 HydrophobicContact CB-CZ2 4.29Å; Q158-W161 HydrophobicContact CB-CZ3 4.09Å; Q158-W161 HydrophobicContact CG-CD2 3.79Å; Q158-W161 HydrophobicContact CG-CE3 3.75Å; Q158-W161 HydrophobicContact CG-CH2 3.7Å; Q158-W161 HydrophobicContact CG-CZ2 3.7Å; Q158-W161 HydrophobicContact CG-CZ3 3.72Å; Q158-W161 PolarHBondContact O-N 2.64Å; Q158-W161 VanDerWaalsContact O-N 3.11Å | ||
| 159 | P | 98.8 | Very high | 98.9 | Very high | 37 Ų | 37 | 26 Ų | 26 | 24% | 0.24 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.8 | 177.2 | 29.1 | -38.5 | 0 | 0 | 0 | 113.6 | W161 S162 L194 G196 H197 | P159-W161 PolarHBondContact O-N 3.4Å; P159-S162 PolarHBondContact O-N 3.16Å; P159-L194 HydrophobicContact CB-CB 3.89Å; P159-L194 HydrophobicContact CB-CD1 4.17Å; P159-L194 HydrophobicContact CG-CB 4.4Å; P159-L194 HydrophobicContact CG-CD1 3.99Å; P159-G196 WeakPolarHBondContact O-CA 3.44Å; P159-H197 WeakPolarHBondContact CA-CE1 3.46Å |
| 160 | N | 98.8 | Very high | 98.9 | Very high | 88 Ų | 88 | 28.3 Ų | 28.3 | 47% | 0.471 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.4 | 175 | 63.7 | -33.1 | 0 | 0 | 0 | 113.2 | E113 Q158 | E113-N160 PolarHBondContact O-ND2 2.76Å; Q158-N160 PolarHBondContact O-N 3.24Å; Q158-N160 PolarHBondContact OE1-OD1 3.36Å |
| 161 | W | 98.9 | Very high | 98.9 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 5% | 0.045 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -28.2 | 179.8 | -63.4 | -3.7 | 0 | 0 | 0 | 112.9 | H105 L106 V112 E113 M155 Q158 P159 K164 V165 | H105-W161 HydrophobicContact CB-CD2 3.7Å; H105-W161 HydrophobicContact CB-CE3 3.34Å; H105-W161 HydrophobicContact CB-CG 4.39Å; H105-W161 HydrophobicContact CB-CH2 4.1Å; H105-W161 HydrophobicContact CB-CZ2 4.42Å; H105-W161 HydrophobicContact CB-CZ3 3.56Å; H105-W161 AromaticContact CD2-CD2 3.89Å; H105-W161 AromaticContact CD2-CG 3.68Å; H105-W161 AromaticContact CG-CD2 3.71Å; H105-W161 AromaticContact CG-CE3 3.71Å; H105-W161 AromaticContact CG-CG 3.87Å; L106-W161 HydrophobicContact CD2-CH2 3.96Å; L106-W161 HydrophobicContact CD2-CZ3 3.89Å; L106-W161 HydrophobicContact CG-CZ3 4.28Å; V112-W161 HydrophobicContact CG2-CH2 4.19Å; V112-W161 HydrophobicContact CG2-CZ2 3.57Å; E113-W161 PolarHBondContact O-NE1 3.45Å; M155-W161 HydrophobicContact CB-CE3 4.45Å; M155-W161 HydrophobicContact CG-CE3 4.17Å; M155-W161 HydrophobicContact CG-CZ3 4.08Å; Q158-W161 HydrophobicContact CB-CB 4.31Å; Q158-W161 HydrophobicContact CB-CD2 3.43Å; Q158-W161 VanDerWaalsContact CB-CD2 3.43Å; Q158-W161 HydrophobicContact CB-CE3 3.58Å; Q158-W161 HydrophobicContact CB-CG 3.79Å; Q158-W161 HydrophobicContact CB-CH2 4.43Å; Q158-W161 HydrophobicContact CB-CZ2 4.29Å; Q158-W161 HydrophobicContact CB-CZ3 4.09Å; Q158-W161 HydrophobicContact CG-CD2 3.79Å; Q158-W161 HydrophobicContact CG-CE3 3.75Å; Q158-W161 HydrophobicContact CG-CH2 3.7Å; Q158-W161 HydrophobicContact CG-CZ2 3.7Å; Q158-W161 HydrophobicContact CG-CZ3 3.72Å; Q158-W161 PolarHBondContact O-N 2.64Å; Q158-W161 VanDerWaalsContact O-N 3.11Å; P159-W161 PolarHBondContact O-N 3.4Å; W161-K164 WeakPolarHBondContact O-CB 3.14Å; W161-K164 PolarHBondContact O-N 3.15Å; W161-V165 PolarHBondContact O-N 3.46Å |
| 162 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.1 | -39.9 | -173 | -69.4 | 0 | 0 | 0 | 0 | 116.1 | C154 P159 K164 V165 V166 G196 H197 A200 | C154-S162 VanDerWaalsContact CB-OG 3.29Å; C154-S162 WeakPolarHBondContact CB-OG 3.27Å; C154-S162 VanDerWaalsContact SG-CB 3.58Å; C154-S162 PolarHBondContact SG-OG 3.13Å; P159-S162 PolarHBondContact O-N 3.16Å; S162-K164 VanDerWaalsContact C-N 3.26Å; S162-K164 PolarHBondContact O-N 3.43Å; S162-V165 WeakPolarHBondContact O-CB 3.46Å; S162-V165 PolarHBondContact O-N 3.17Å; S162-V165 VanDerWaalsContact O-N 3.13Å; S162-V166 PolarHBondContact O-N 3.45Å; S162-V166 VanDerWaalsContact O-N 3.12Å; S162-G196 VanDerWaalsContact CB-O 3.28Å; S162-G196 WeakPolarHBondContact CB-O 2.98Å; S162-H197 PolarHBondContact OG-CE1 3.18Å; S162-H197 PolarHBondContact OG-ND1 3.37Å; S162-A200 WeakPolarHBondContact O-CB 3.2Å |
| 163 | P | 98.9 | Very high | 98.8 | Very high | 63 Ų | 63 | 38.8 Ų | 38.8 | 41% | 0.409 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.1 | -39.3 | 173.9 | -26.1 | 35.7 | 0 | 0 | 0 | 112.7 | V166 E167 | P163-V166 VanDerWaalsContact O-CG1 3.31Å; P163-V166 WeakPolarHBondContact O-CG1 3.16Å; P163-E167 WeakPolarHBondContact O-CB 3.32Å; P163-E167 PolarHBondContact O-N 2.9Å |
| 164 | K | 98.9 | Very high | 98.7 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.4 | -38 | 175.9 | 177.3 | 59 | 74.7 | -168.3 | 0 | 111.2 | W161 S162 V166 E167 L168 | W161-K164 WeakPolarHBondContact O-CB 3.14Å; W161-K164 PolarHBondContact O-N 3.15Å; S162-K164 VanDerWaalsContact C-N 3.26Å; S162-K164 PolarHBondContact O-N 3.43Å; K164-V166 PolarHBondContact O-N 2.88Å; K164-E167 WeakPolarHBondContact CE-OE2 3.45Å; K164-E167 IonicContact NZ-OE1 3.32Å; K164-E167 PolarHBondContact NZ-OE1 3.23Å; K164-E167 IonicContact NZ-OE2 3.52Å; K164-E167 PolarHBondContact NZ-OE2 3.39Å; K164-E167 WeakPolarHBondContact O-CB 3.46Å; K164-E167 PolarHBondContact O-N 2.99Å; K164-L168 HydrophobicContact CD-CD1 4.12Å; K164-L168 HydrophobicContact CD-CD2 4.29Å; K164-L168 HydrophobicContact CD-CG 3.93Å; K164-L168 HydrophobicContact CG-CD1 3.99Å; K164-L168 HydrophobicContact CG-CG 4.26Å; K164-L168 VanDerWaalsContact O-CG 3.25Å; K164-L168 WeakPolarHBondContact O-CG 3.49Å; K164-L168 PolarHBondContact O-N 2.82Å |
| 165 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.1 | -51.8 | 177 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | L152 W161 S162 E167 L168 C169 I180 | L152-V165 HydrophobicContact CB-CG1 3.73Å; L152-V165 WeakPolarHBondContact O-CG1 3.46Å; W161-V165 PolarHBondContact O-N 3.46Å; S162-V165 WeakPolarHBondContact O-CB 3.46Å; S162-V165 PolarHBondContact O-N 3.17Å; S162-V165 VanDerWaalsContact O-N 3.13Å; V165-E167 VanDerWaalsContact C-N 3.34Å; V165-E167 PolarHBondContact O-N 2.7Å; V165-L168 WeakPolarHBondContact O-CB 3.45Å; V165-L168 PolarHBondContact O-N 3.25Å; V165-L168 VanDerWaalsContact O-N 3.16Å; V165-C169 PolarHBondContact O-N 2.79Å; V165-C169 PolarHBondContact O-SG 3.43Å; V165-I180 HydrophobicContact CB-CD1 4.36Å; V165-I180 HydrophobicContact CG1-CD1 3.83Å; V165-I180 HydrophobicContact CG1-CG1 3.8Å |
| 166 | V | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.8 | -34 | 179.7 | 68 | 0 | 0 | 0 | 0 | 112.6 | S162 P163 K164 L168 C169 K170 I180 A200 E203 A204 | S162-V166 PolarHBondContact O-N 3.45Å; S162-V166 VanDerWaalsContact O-N 3.12Å; P163-V166 VanDerWaalsContact O-CG1 3.31Å; P163-V166 WeakPolarHBondContact O-CG1 3.16Å; K164-V166 PolarHBondContact O-N 2.88Å; V166-L168 VanDerWaalsContact C-N 3.32Å; V166-L168 PolarHBondContact O-N 2.87Å; V166-C169 PolarHBondContact O-N 3.16Å; V166-K170 WeakPolarHBondContact O-CG 3.32Å; V166-K170 PolarHBondContact O-N 2.88Å; V166-I180 HydrophobicContact CB-CD1 3.92Å; V166-A200 HydrophobicContact CB-CB 4.23Å; V166-A200 HydrophobicContact CG1-CB 3.97Å; V166-E203 HydrophobicContact CG1-CB 4.34Å; V166-E203 HydrophobicContact CG1-CG 4.22Å; V166-E203 HydrophobicContact CG2-CB 4.3Å; V166-E203 HydrophobicContact CG2-CG 4.12Å; V166-A204 HydrophobicContact CG2-CB 4.11Å |
| 167 | E | 98.9 | Very high | 98.7 | Very high | 93 Ų | 93 | 50 Ų | 50 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 172.1 | -175.4 | -163.9 | 146.2 | 0 | 0 | 111.2 | P163 K164 V165 K170 K171 | P163-E167 WeakPolarHBondContact O-CB 3.32Å; P163-E167 PolarHBondContact O-N 2.9Å; K164-E167 WeakPolarHBondContact CE-OE2 3.45Å; K164-E167 IonicContact NZ-OE1 3.32Å; K164-E167 PolarHBondContact NZ-OE1 3.23Å; K164-E167 IonicContact NZ-OE2 3.52Å; K164-E167 PolarHBondContact NZ-OE2 3.39Å; K164-E167 WeakPolarHBondContact O-CB 3.46Å; K164-E167 PolarHBondContact O-N 2.99Å; V165-E167 VanDerWaalsContact C-N 3.34Å; V165-E167 PolarHBondContact O-N 2.7Å; E167-K170 PolarHBondContact O-N 3.48Å; E167-K171 WeakPolarHBondContact O-CB 3.31Å; E167-K171 PolarHBondContact O-N 2.91Å |
| 168 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -39.3 | 177.2 | -67 | 173.6 | 0 | 0 | 0 | 111.8 | P104 P126 D127 V130 L152 K164 V165 V166 K170 K171 Y172 | P104-L168 HydrophobicContact CG-CD1 4.1Å; P126-L168 HydrophobicContact CB-CD1 4.27Å; D127-L168 HydrophobicContact CB-CD2 3.81Å; D127-L168 WeakPolarHBondContact OD2-CD2 3.45Å; V130-L168 HydrophobicContact CG2-CB 4.39Å; V130-L168 HydrophobicContact CG2-CD1 3.99Å; L152-L168 HydrophobicContact CD1-CB 3.61Å; K164-L168 HydrophobicContact CD-CD1 4.12Å; K164-L168 HydrophobicContact CD-CD2 4.29Å; K164-L168 HydrophobicContact CD-CG 3.93Å; K164-L168 HydrophobicContact CG-CD1 3.99Å; K164-L168 HydrophobicContact CG-CG 4.26Å; K164-L168 VanDerWaalsContact O-CG 3.25Å; K164-L168 WeakPolarHBondContact O-CG 3.49Å; K164-L168 PolarHBondContact O-N 2.82Å; V165-L168 WeakPolarHBondContact O-CB 3.45Å; V165-L168 PolarHBondContact O-N 3.25Å; V165-L168 VanDerWaalsContact O-N 3.16Å; V166-L168 VanDerWaalsContact C-N 3.32Å; V166-L168 PolarHBondContact O-N 2.87Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.08Å; L168-K171 PolarHBondContact O-N 3.25Å; L168-Y172 HydrophobicContact CB-CD2 4.47Å; L168-Y172 HydrophobicContact CD2-CD2 4.14Å; L168-Y172 HydrophobicContact CD2-CE2 3.85Å; L168-Y172 WeakPolarHBondContact O-CB 3.38Å; L168-Y172 WeakPolarHBondContact O-CD2 3.28Å; L168-Y172 PolarHBondContact O-N 2.71Å |
| 169 | C | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 173 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | V165 V166 K171 Q173 V177 A179 I209 | V165-C169 PolarHBondContact O-N 2.79Å; V165-C169 PolarHBondContact O-SG 3.43Å; V166-C169 PolarHBondContact O-N 3.16Å; C169-K171 PolarHBondContact O-N 3Å; C169-Q173 WeakPolarHBondContact O-CB 3.46Å; C169-Q173 PolarHBondContact O-N 3.21Å; C169-Q173 VanDerWaalsContact O-N 3.11Å; C169-V177 HydrophobicContact CB-CG1 4.09Å; C169-A179 PolarHBondContact SG-O 3.39Å; C169-I209 HydrophobicContact CB-CD1 4.27Å; C169-I209 HydrophobicContact CB-CG1 4.39Å; C169-I209 HydrophobicContact CB-CG2 3.74Å |
| 170 | K | 98.9 | Very high | 98.7 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 177.1 | -66.6 | 167.9 | 65 | 173.6 | 0 | 112.3 | V166 E167 L168 Q173 E203 S207 I209 | V166-K170 WeakPolarHBondContact O-CG 3.32Å; V166-K170 PolarHBondContact O-N 2.88Å; E167-K170 PolarHBondContact O-N 3.48Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.08Å; K170-Q173 PolarHBondContact O-NE2 3.24Å; K170-E203 HydrophobicContact CD-CG 4.49Å; K170-E203 IonicContact NZ-OE1 3.52Å; K170-E203 PolarHBondContact NZ-OE1 3.5Å; K170-S207 WeakPolarHBondContact CE-OG 3.37Å; K170-S207 PolarHBondContact NZ-OG 3.42Å; K170-I209 HydrophobicContact CG-CD1 3.96Å; K170-I209 HydrophobicContact CG-CG1 3.84Å |
| 171 | K | 98.9 | Very high | 98.7 | Very high | 107 Ų | 107 | 39.3 Ų | 39.3 | 47% | 0.465 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.3 | -41.3 | -178.4 | 179.3 | 175.9 | 170.8 | -176.6 | 0 | 112.6 | D127 E167 L168 C169 | D127-K171 IonicContact OD1-NZ 2.73Å; D127-K171 PolarHBondContact OD1-NZ 3.09Å; D127-K171 IonicContact OD2-NZ 3.38Å; D127-K171 PolarHBondContact OD2-NZ 3.41Å; E167-K171 WeakPolarHBondContact O-CB 3.31Å; E167-K171 PolarHBondContact O-N 2.91Å; L168-K171 PolarHBondContact O-N 3.25Å; C169-K171 PolarHBondContact O-N 3Å |
| 172 | Y | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -104.6 | 15.3 | -171.3 | -70.1 | -80.1 | 0 | 0 | 0 | 113.6 | D127 V130 A131 L168 Q174 Q175 V177 | D127-Y172 PolarHBondContact O-OH 2.96Å; D127-Y172 PolarHBondContact OD1-OH 3.44Å; V130-Y172 HydrophobicContact CB-CD2 3.96Å; V130-Y172 HydrophobicContact CB-CE2 4.08Å; V130-Y172 HydrophobicContact CB-CG 4.33Å; V130-Y172 HydrophobicContact CG1-CD1 4.04Å; V130-Y172 HydrophobicContact CG1-CD2 3.49Å; V130-Y172 VanDerWaalsContact CG1-CD2 3.49Å; V130-Y172 HydrophobicContact CG1-CE2 4.1Å; V130-Y172 HydrophobicContact CG1-CG 3.46Å; V130-Y172 VanDerWaalsContact CG1-CG 3.46Å; A131-Y172 HydrophobicContact CB-CE1 3.82Å; L168-Y172 HydrophobicContact CB-CD2 4.47Å; L168-Y172 HydrophobicContact CD2-CD2 4.14Å; L168-Y172 HydrophobicContact CD2-CE2 3.85Å; L168-Y172 WeakPolarHBondContact O-CB 3.38Å; L168-Y172 WeakPolarHBondContact O-CD2 3.28Å; L168-Y172 PolarHBondContact O-N 2.71Å; Y172-Q174 PolarHBondContact O-N 3.4Å; Y172-Q175 HydrophobicContact CD1-CB 4.14Å; Y172-Q175 CarbonylContact O-C 3.59Å; Y172-Q175 WeakPolarHBondContact O-CA 3.24Å; Y172-Q175 PolarHBondContact O-N 2.94Å; Y172-V177 WeakPolarHBondContact O-CB 3.36Å; Y172-V177 PolarHBondContact O-N 3.42Å |
| 173 | Q | 97.1 | Very high | 98.7 | Very high | 100 Ų | 100 | 38.9 Ų | 38.9 | 47% | 0.467 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.7 | -179 | 68.8 | -176 | -79 | 0 | 0 | 114.9 | C169 K170 V177 | C169-Q173 WeakPolarHBondContact O-CB 3.46Å; C169-Q173 PolarHBondContact O-N 3.21Å; C169-Q173 VanDerWaalsContact O-N 3.11Å; K170-Q173 PolarHBondContact O-NE2 3.24Å; Q173-V177 VanDerWaalsContact CA-O 3.27Å; Q173-V177 WeakPolarHBondContact CA-O 3.36Å |
| 174 | Q | 97.1 | Very high | 98.7 | Very high | 167 Ų | 167 | 36.4 Ų | 36.4 | 78% | 0.78 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 7.9 | 176.4 | -58.1 | -58.7 | -41.4 | 0 | 0 | 112.7 | Y172 | Y172-Q174 PolarHBondContact O-N 3.4Š|
| 175 | Q | 98 | Very high | 98.6 | Very high | 81 Ų | 81 | 34.7 Ų | 34.7 | 38% | 0.379 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 72.5 | -175.4 | -65.1 | 176.2 | 52.6 | 0 | 0 | 108.2 | Y172 V177 | Y172-Q175 HydrophobicContact CD1-CB 4.14Å; Y172-Q175 CarbonylContact O-C 3.59Å; Y172-Q175 WeakPolarHBondContact O-CA 3.24Å; Y172-Q175 PolarHBondContact O-N 2.94Å; Q175-V177 PolarHBondContact O-N 3.5Å |
| 176 | T | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | -28.2 | -171.6 | 62.6 | 0 | 0 | 0 | 0 | 119 | L137 A148 R149 S150 V178 | L137-T176 HydrophobicContact CB-CG2 3.75Å; L137-T176 HydrophobicContact CD1-CG2 3.92Å; L137-T176 HydrophobicContact CG-CG2 4.49Å; A148-T176 WeakPolarHBondContact O-CG2 3.41Å; R149-T176 CarbonylContact C-O 3.4Å; R149-T176 WeakPolarHBondContact CA-O 3.4Å; R149-T176 WeakPolarHBondContact CB-O 3.45Å; R149-T176 WeakPolarHBondContact CD-O 3.43Å; S150-T176 PolarHBondContact N-O 3.43Å; S150-T176 WeakPolarHBondContact OG-CB 3.33Å; S150-T176 PolarHBondContact OG-O 2.54Å; S150-T176 PolarHBondContact OG-OG1 2.79Å; T176-V178 PolarHBondContact O-N 2.85Å |
| 177 | V | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 120.6 | -170 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | V130 S150 L152 C169 Y172 Q173 Q175 | V130-V177 HydrophobicContact CG1-CG2 3.75Å; S150-V177 CarbonylContact O-C 3.34Å; S150-V177 VanDerWaalsContact O-CA 3.29Å; S150-V177 WeakPolarHBondContact O-CA 3.24Å; S150-V177 WeakPolarHBondContact OG-CA 3.48Å; S150-V177 WeakPolarHBondContact OG-CG2 3.43Å; S150-V177 PolarHBondContact OG-N 3Å; L152-V177 HydrophobicContact CD1-CG1 4.1Å; L152-V177 HydrophobicContact CD1-CG2 4.21Å; L152-V177 HydrophobicContact CD2-CG2 4.25Å; L152-V177 HydrophobicContact CG-CG1 3.88Å; L152-V177 HydrophobicContact CG-CG2 4.21Å; C169-V177 HydrophobicContact CB-CG1 4.09Å; Y172-V177 WeakPolarHBondContact O-CB 3.36Å; Y172-V177 PolarHBondContact O-N 3.42Å; Q173-V177 VanDerWaalsContact CA-O 3.27Å; Q173-V177 WeakPolarHBondContact CA-O 3.36Å; Q175-V177 PolarHBondContact O-N 3.5Å |
| 178 | V | 98.9 | Very high | 98.5 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 13% | 0.127 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -22.5 | -177.8 | -68.6 | 0 | 0 | 0 | 0 | 113.8 | E99 R149 S150 I151 T176 H210 F334 | E99-V178 HydrophobicContact CG-CG2 4.36Å; R149-V178 HydrophobicContact CB-CB 4.45Å; R149-V178 HydrophobicContact CB-CG1 3.76Å; R149-V178 HydrophobicContact CB-CG2 3.82Å; R149-V178 HydrophobicContact CG-CG1 3.78Å; S150-V178 PolarHBondContact O-N 2.99Å; I151-V178 HydrophobicContact CG1-CG2 4.29Å; T176-V178 PolarHBondContact O-N 2.85Å; V178-H210 WeakPolarHBondContact O-CB 3.42Å; V178-F334 HydrophobicContact CB-CB 3.8Å; V178-F334 HydrophobicContact CG2-CB 3.8Å |
| 179 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 169.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | I151 L152 C169 H210 F334 | I151-A179 HydrophobicContact CD1-CB 4.28Å; I151-A179 HydrophobicContact CG1-CB 4.07Å; I151-A179 HydrophobicContact CG2-CB 4.09Å; L152-A179 PolarHBondContact N-O 3.12Å; L152-A179 VanDerWaalsContact N-O 3.15Å; C169-A179 PolarHBondContact SG-O 3.39Å; A179-H210 CarbonylContact C-O 3.46Å; A179-H210 VanDerWaalsContact CA-O 3.28Å; A179-H210 WeakPolarHBondContact CA-O 3.4Å; A179-H210 HydrophobicContact CB-CB 3.76Å; A179-H210 WeakPolarHBondContact CB-O 3.3Å; A179-F334 HydrophobicContact CB-CD2 3.32Å; A179-F334 HydrophobicContact CB-CE2 3.51Å; A179-F334 HydrophobicContact CB-CG 4.1Å; A179-F334 HydrophobicContact CB-CZ 4.44Å |
| 180 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 145.1 | 164.3 | -168.2 | 165.8 | 0 | 0 | 0 | 110.2 | L152 V165 V166 A200 Y201 A204 I209 H210 R211 T212 | L152-I180 WeakPolarHBondContact O-CA 3.06Å; V165-I180 HydrophobicContact CB-CD1 4.36Å; V165-I180 HydrophobicContact CG1-CD1 3.83Å; V165-I180 HydrophobicContact CG1-CG1 3.8Å; V166-I180 HydrophobicContact CB-CD1 3.92Å; I180-A200 HydrophobicContact CD1-CB 4.34Å; I180-Y201 HydrophobicContact CD1-CE2 4.49Å; I180-Y201 HydrophobicContact CG1-CE2 4.5Å; I180-Y201 HydrophobicContact CG2-CD1 4.36Å; I180-Y201 HydrophobicContact CG2-CE1 4.01Å; I180-A204 HydrophobicContact CG2-CB 3.98Å; I180-I209 HydrophobicContact CB-CG2 4.46Å; I180-I209 HydrophobicContact CG2-CG2 4.42Å; I180-H210 WeakPolarHBondContact CG2-O 3.36Å; I180-H210 PolarHBondContact N-O 2.73Å; I180-R211 HydrophobicContact CG2-CG 4.02Å; I180-T212 PolarHBondContact O-N 3.34Å |
| 181 | D | 99 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 164.7 | 171.6 | -177.3 | 32 | 0 | 0 | 0 | 111.5 | R101 I151 L152 C153 C154 Y201 T212 V213 H214 | R101-D181 IonicContact NH1-OD2 3.29Å; R101-D181 PolarHBondContact NH1-OD2 2.62Å; I151-D181 HydrophobicContact CG2-CB 3.58Å; L152-D181 PolarHBondContact O-N 3.19Å; C153-D181 PolarHBondContact SG-OD2 3.31Å; C154-D181 WeakPolarHBondContact CB-O 3.34Å; C154-D181 PolarHBondContact N-O 2.76Å; D181-Y201 WeakPolarHBondContact CA-OH 3.41Å; D181-Y201 PolarHBondContact O-OH 3.48Å; D181-T212 WeakPolarHBondContact CA-O 3.19Å; D181-T212 HydrophobicContact CB-CG2 3.69Å; D181-V213 WeakPolarHBondContact OD1-CA 3.45Å; D181-H214 PolarHBondContact OD1-N 3.17Å; D181-H214 IonicContact OD1-ND1 2.77Å; D181-H214 PolarHBondContact OD1-ND1 3.23Å; D181-H214 IonicContact OD2-CE1 3.8Å; D181-H214 PolarHBondContact OD2-CE1 3.39Å; D181-H214 IonicContact OD2-ND1 3.84Å; D181-H214 PolarHBondContact OD2-ND1 3.1Å; D181-H214 VanDerWaalsContact OD2-ND1 3.12Å |
| 182 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 112.5 | 170 | 176.1 | 65.5 | 0 | 0 | 0 | 107.9 | C154 R156 Y201 V213 H214 L231 | C154-L182 HydrophobicContact CB-CB 4.47Å; C154-L182 HydrophobicContact CB-CD1 3.7Å; R156-L182 HydrophobicContact CG-CD1 3.86Å; R156-L182 HydrophobicContact CG-CD2 4.32Å; R156-L182 HydrophobicContact CG-CG 3.92Å; L182-Y201 HydrophobicContact CB-CE2 4.11Å; L182-Y201 WeakPolarHBondContact CB-OH 3.29Å; L182-Y201 PolarHBondContact N-OH 3.28Å; L182-V213 HydrophobicContact CB-CG1 4.28Å; L182-V213 HydrophobicContact CD2-CG1 4.39Å; L182-H214 WeakPolarHBondContact O-CB 3.46Å; L182-H214 PolarHBondContact O-N 3.29Å; L182-H214 PolarHBondContact O-ND1 3.29Å; L182-L231 HydrophobicContact CD2-CD1 3.77Å |
| 183 | A | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | -178.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C153 C154 M155 R156 | C153-A183 HydrophobicContact CB-CB 4.27Å; C154-A183 PolarHBondContact O-N 3.23Å; M155-A183 WeakPolarHBondContact CA-O 3.34Å; M155-A183 HydrophobicContact SD-CB 4.46Å; R156-A183 WeakPolarHBondContact CG-O 3.26Å; R156-A183 PolarHBondContact N-O 3.18Å |
| 184 | G | 98.3 | Very high | 98.4 | Very high | 11 Ų | 11 | 37 Ų | 37 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 94 | -164.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E186 | G184-E186 PolarHBondContact O-N 2.86Š|
| 185 | D | 98.6 | Very high | 98.5 | Very high | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | trans | -64.3 | 106.3 | -171.3 | -175.9 | 2.6 | 0 | 0 | 0 | 113 | L62 R156 T187 I188 | L62-D185 HydrophobicContact CD1-CB 4.09Å; R156-D185 VanDerWaalsContact CD-C 3.45Å; R156-D185 WeakPolarHBondContact CD-O 3.18Å; D185-T187 VanDerWaalsContact CG-OG1 3.26Å; D185-T187 PolarHBondContact O-N 3.03Å; D185-T187 VanDerWaalsContact OD1-CB 3.3Å; D185-T187 WeakPolarHBondContact OD1-CB 3.39Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.36Å; D185-T187 PolarHBondContact OD1-N 2.87Å; D185-T187 PolarHBondContact OD1-OG1 3.07Å; D185-T187 PolarHBondContact OD2-OG1 2.71Å; D185-I188 HydrophobicContact CB-CD1 4.1Å; D185-I188 HydrophobicContact CB-CG1 4.16Å; D185-I188 WeakPolarHBondContact O-CG1 3.22Å | ||
| 186 | E | 98.2 | Very high | 98.6 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.3 | 178.4 | -165 | -178.5 | -177.3 | 0 | 0 | 112.9 | L58 G184 I188 A215 G216 E217 V218 G219 V223 | L58-E186 HydrophobicContact CD2-CB 4.32Å; G184-E186 PolarHBondContact O-N 2.86Å; E186-I188 VanDerWaalsContact C-N 3.25Å; E186-I188 PolarHBondContact O-N 3.42Å; E186-A215 VanDerWaalsContact OE1-CA 3.25Å; E186-A215 WeakPolarHBondContact OE1-CA 3.33Å; E186-G216 PolarHBondContact OE1-N 2.78Å; E186-E217 WeakPolarHBondContact OE2-CB 3.28Å; E186-E217 PolarHBondContact OE2-N 3Å; E186-V218 HydrophobicContact CB-CG2 3.92Å; E186-V218 PolarHBondContact OE2-N 3.44Å; E186-G219 VanDerWaalsContact CD-CA 3.47Å; E186-G219 WeakPolarHBondContact OE1-CA 3.25Å; E186-G219 PolarHBondContact OE2-N 2.98Å; E186-V223 HydrophobicContact CG-CG1 3.96Å; E186-V223 WeakPolarHBondContact OE1-CB 3.49Å; E186-V223 WeakPolarHBondContact OE1-CG1 3.39Å |
| 187 | T | 97.3 | Very high | 98.6 | Very high | 81 Ų | 81 | 29.4 Ų | 29.4 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -9.9 | -174.2 | 73.2 | 0 | 0 | 0 | 0 | 113.7 | D185 P189 V218 | D185-T187 VanDerWaalsContact CG-OG1 3.26Å; D185-T187 PolarHBondContact O-N 3.03Å; D185-T187 VanDerWaalsContact OD1-CB 3.3Å; D185-T187 WeakPolarHBondContact OD1-CB 3.39Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.36Å; D185-T187 PolarHBondContact OD1-N 2.87Å; D185-T187 PolarHBondContact OD1-OG1 3.07Å; D185-T187 PolarHBondContact OD2-OG1 2.71Å; T187-P189 WeakPolarHBondContact O-CD 3.24Å; T187-P189 VanDerWaalsContact O-N 3.15Å; T187-V218 HydrophobicContact CG2-CG2 3.99Å |
| 188 | I | 98.5 | Very high | 98.6 | Very high | 51 Ų | 51 | 30.3 Ų | 30.3 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -62.6 | 113.8 | 177.4 | -60.1 | 171.6 | 0 | 0 | 0 | 109.3 | R156 H157 D185 E186 G190 S191 | R156-I188 HydrophobicContact CB-CD1 4.3Å; H157-I188 HydrophobicContact CB-CD1 3.72Å; D185-I188 HydrophobicContact CB-CD1 4.1Å; D185-I188 HydrophobicContact CB-CG1 4.16Å; D185-I188 WeakPolarHBondContact O-CG1 3.22Å; E186-I188 VanDerWaalsContact C-N 3.25Å; E186-I188 PolarHBondContact O-N 3.42Å; I188-G190 PolarHBondContact O-N 2.88Å; I188-S191 VanDerWaalsContact O-CB 3.25Å; I188-S191 WeakPolarHBondContact O-CB 3.37Å; I188-S191 PolarHBondContact O-N 2.91Å; I188-S191 VanDerWaalsContact O-N 3.07Å; I188-S191 PolarHBondContact O-OG 3.15Å |
| 189 | P | 98 | Very high | 98.6 | Very high | 125 Ų | 125 | 34.8 Ų | 34.8 | 81% | 0.812 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 126.9 | -172.6 | -26.1 | 35.5 | 0 | 0 | 0 | 112.8 | T187 S191 | T187-P189 WeakPolarHBondContact O-CD 3.24Å; T187-P189 VanDerWaalsContact O-N 3.15Å; P189-S191 PolarHBondContact O-N 3.25Å |
| 190 | G | 97.9 | Very high | 98.6 | Very high | 39 Ų | 39 | 34.9 Ų | 34.9 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 14.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I188 S192 L193 | I188-G190 PolarHBondContact O-N 2.88Å; G190-S192 VanDerWaalsContact C-N 3.29Å; G190-S192 PolarHBondContact O-N 2.68Å; G190-L193 PolarHBondContact O-N 2.77Å |
| 191 | S | 98.5 | Very high | 98.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -56.5 | -41 | -177.1 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | R156 I188 P189 L193 L194 H197 | R156-S191 PolarHBondContact NH1-OG 3.22Å; I188-S191 VanDerWaalsContact O-CB 3.25Å; I188-S191 WeakPolarHBondContact O-CB 3.37Å; I188-S191 PolarHBondContact O-N 2.91Å; I188-S191 VanDerWaalsContact O-N 3.07Å; I188-S191 PolarHBondContact O-OG 3.15Å; P189-S191 PolarHBondContact O-N 3.25Å; S191-L193 PolarHBondContact O-N 3.3Å; S191-L194 WeakPolarHBondContact O-CB 3.39Å; S191-L194 WeakPolarHBondContact O-CG 3.48Å; S191-L194 PolarHBondContact O-N 2.94Å; S191-L194 VanDerWaalsContact O-N 3.12Å; S191-H197 PolarHBondContact O-CD2 2.96Å; S191-H197 VanDerWaalsContact O-CD2 3.25Å |
| 192 | S | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -58.9 | -22.9 | 178.2 | -34.5 | 0 | 0 | 0 | 0 | 113.7 | R156 G190 E226 | R156-S192 PolarHBondContact NH1-OG 2.87Å; R156-S192 VanDerWaalsContact NH1-OG 3.16Å; G190-S192 VanDerWaalsContact C-N 3.29Å; G190-S192 PolarHBondContact O-N 2.68Å; S192-E226 WeakPolarHBondContact CB-OE2 3.44Å; S192-E226 PolarHBondContact OG-OE2 3.42Å |
| 193 | L | 98.8 | Very high | 98.6 | Very high | 83 Ų | 83 | 43 Ų | 43 | 44% | 0.435 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -97.5 | 0.5 | -175.4 | -54.9 | -179.8 | 0 | 0 | 0 | 113.2 | G190 S191 E226 I230 | G190-L193 PolarHBondContact O-N 2.77Å; S191-L193 PolarHBondContact O-N 3.3Å; L193-E226 HydrophobicContact CD2-CB 4.41Å; L193-E226 HydrophobicContact CD2-CG 4.07Å; L193-E226 HydrophobicContact CG-CG 4.45Å; L193-I230 HydrophobicContact CD2-CB 4.31Å; L193-I230 HydrophobicContact CD2-CG1 3.97Å; L193-I230 HydrophobicContact CD2-CG2 4.08Å |
| 194 | L | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | trans | -61.6 | 134.4 | 179.3 | -66.3 | 169.8 | 0 | 0 | 0 | 110.2 | P159 S191 G196 H197 V198 | P159-L194 HydrophobicContact CB-CB 3.89Å; P159-L194 HydrophobicContact CB-CD1 4.17Å; P159-L194 HydrophobicContact CG-CB 4.4Å; P159-L194 HydrophobicContact CG-CD1 3.99Å; S191-L194 WeakPolarHBondContact O-CB 3.39Å; S191-L194 WeakPolarHBondContact O-CG 3.48Å; S191-L194 PolarHBondContact O-N 2.94Å; S191-L194 VanDerWaalsContact O-N 3.12Å; L194-G196 VanDerWaalsContact C-N 3.27Å; L194-G196 PolarHBondContact O-N 3.2Å; L194-G196 VanDerWaalsContact O-N 3.09Å; L194-H197 PolarHBondContact O-N 3.4Å; L194-V198 PolarHBondContact O-N 2.86Å; L194-V198 VanDerWaalsContact O-N 3.13Å | ||
| 195 | P | 98.8 | Very high | 98.6 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -54.6 | -38.3 | -169.7 | -29.9 | 35.1 | 0 | 0 | 0 | 114.7 | H197 V198 Q199 | P195-H197 PolarHBondContact O-N 3.15Å; P195-V198 PolarHBondContact O-N 3.48Å; P195-Q199 VanDerWaalsContact O-CB 3.23Å; P195-Q199 WeakPolarHBondContact O-CB 3.45Å; P195-Q199 WeakPolarHBondContact O-CG 3.49Å; P195-Q199 PolarHBondContact O-N 3.49Å |
| 196 | G | 98.7 | Very high | 98.6 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P159 S162 L194 A200 | P159-G196 WeakPolarHBondContact O-CA 3.44Å; S162-G196 VanDerWaalsContact CB-O 3.28Å; S162-G196 WeakPolarHBondContact CB-O 2.98Å; L194-G196 VanDerWaalsContact C-N 3.27Å; L194-G196 PolarHBondContact O-N 3.2Å; L194-G196 VanDerWaalsContact O-N 3.09Å; G196-A200 VanDerWaalsContact O-CB 3.32Å; G196-A200 WeakPolarHBondContact O-CB 3.35Å; G196-A200 PolarHBondContact O-N 3.47Å; G196-A200 VanDerWaalsContact O-N 3.15Å |
| 197 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.9 | -52 | 175.5 | -58 | -37.4 | 0 | 0 | 0 | 110.7 | M155 R156 P159 S162 S191 L194 P195 Q199 A200 Y201 | M155-H197 PolarHBondContact O-CE1 2.72Å; R156-H197 PolarHBondContact O-NE2 2.72Å; P159-H197 WeakPolarHBondContact CA-CE1 3.46Å; S162-H197 PolarHBondContact OG-CE1 3.18Å; S162-H197 PolarHBondContact OG-ND1 3.37Å; S191-H197 PolarHBondContact O-CD2 2.96Å; S191-H197 VanDerWaalsContact O-CD2 3.25Å; L194-H197 PolarHBondContact O-N 3.4Å; P195-H197 PolarHBondContact O-N 3.15Å; H197-Q199 VanDerWaalsContact C-N 3.31Å; H197-Q199 PolarHBondContact O-N 3.48Å; H197-A200 PolarHBondContact O-N 2.81Å; H197-A200 VanDerWaalsContact O-N 3.12Å; H197-Y201 WeakPolarHBondContact O-CD2 3.18Å; H197-Y201 PolarHBondContact O-N 2.84Å |
| 198 | V | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | -179 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | L194 P195 Y201 Q202 I230 L231 | L194-V198 PolarHBondContact O-N 2.86Å; L194-V198 VanDerWaalsContact O-N 3.13Å; P195-V198 PolarHBondContact O-N 3.48Å; V198-Y201 PolarHBondContact O-N 3.35Å; V198-Q202 HydrophobicContact CG1-CG 4.44Å; V198-Q202 WeakPolarHBondContact O-CB 3.43Å; V198-Q202 VanDerWaalsContact O-CG 3.28Å; V198-Q202 WeakPolarHBondContact O-CG 3.39Å; V198-Q202 PolarHBondContact O-N 3.18Å; V198-I230 HydrophobicContact CG1-CG2 4.17Å; V198-I230 HydrophobicContact CG2-CG2 4.03Å; V198-L231 HydrophobicContact CG2-CD2 4.13Å |
| 199 | Q | 98.9 | Very high | 98.7 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 53% | 0.533 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 177.9 | -71.5 | 168.3 | 16.9 | 0 | 0 | 112.2 | P195 H197 Q202 E203 | P195-Q199 VanDerWaalsContact O-CB 3.23Å; P195-Q199 WeakPolarHBondContact O-CB 3.45Å; P195-Q199 WeakPolarHBondContact O-CG 3.49Å; P195-Q199 PolarHBondContact O-N 3.49Å; H197-Q199 VanDerWaalsContact C-N 3.31Å; H197-Q199 PolarHBondContact O-N 3.48Å; Q199-Q202 PolarHBondContact O-N 3.19Å; Q199-E203 WeakPolarHBondContact O-CB 3.45Å; Q199-E203 PolarHBondContact O-N 2.93Å |
| 200 | A | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S162 V166 I180 G196 H197 E203 A204 | S162-A200 WeakPolarHBondContact O-CB 3.2Å; V166-A200 HydrophobicContact CB-CB 4.23Å; V166-A200 HydrophobicContact CG1-CB 3.97Å; I180-A200 HydrophobicContact CD1-CB 4.34Å; G196-A200 VanDerWaalsContact O-CB 3.32Å; G196-A200 WeakPolarHBondContact O-CB 3.35Å; G196-A200 PolarHBondContact O-N 3.47Å; G196-A200 VanDerWaalsContact O-N 3.15Å; H197-A200 PolarHBondContact O-N 2.81Å; H197-A200 VanDerWaalsContact O-N 3.12Å; A200-E203 PolarHBondContact O-N 3.32Å; A200-A204 WeakPolarHBondContact O-CB 3.41Å; A200-A204 PolarHBondContact O-N 3.34Å |
| 201 | Y | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.2 | -34.9 | 176.8 | -85.1 | -98.7 | 0 | 0 | 0 | 112.9 | I180 D181 L182 H197 V198 E203 A204 V205 R211 T212 V213 L231 | I180-Y201 HydrophobicContact CD1-CE2 4.49Å; I180-Y201 HydrophobicContact CG1-CE2 4.5Å; I180-Y201 HydrophobicContact CG2-CD1 4.36Å; I180-Y201 HydrophobicContact CG2-CE1 4.01Å; D181-Y201 WeakPolarHBondContact CA-OH 3.41Å; D181-Y201 PolarHBondContact O-OH 3.48Å; L182-Y201 HydrophobicContact CB-CE2 4.11Å; L182-Y201 WeakPolarHBondContact CB-OH 3.29Å; L182-Y201 PolarHBondContact N-OH 3.28Å; H197-Y201 WeakPolarHBondContact O-CD2 3.18Å; H197-Y201 PolarHBondContact O-N 2.84Å; V198-Y201 PolarHBondContact O-N 3.35Å; Y201-E203 VanDerWaalsContact C-N 3.35Å; Y201-A204 WeakPolarHBondContact O-CB 3.21Å; Y201-A204 PolarHBondContact O-N 3.22Å; Y201-V205 WeakPolarHBondContact O-CG2 3.4Å; Y201-V205 PolarHBondContact O-N 2.95Å; Y201-R211 HydrophobicContact CD1-CB 4.11Å; Y201-R211 HydrophobicContact CD1-CG 3.89Å; Y201-R211 HydrophobicContact CE1-CB 3.98Å; Y201-R211 HydrophobicContact CE1-CG 4.16Å; Y201-T212 PolarHBondContact OH-O 2.84Å; Y201-V213 HydrophobicContact CD1-CG2 4.47Å; Y201-V213 HydrophobicContact CE1-CG2 3.53Å; Y201-V213 WeakPolarHBondContact OH-CG2 3.19Å; Y201-L231 HydrophobicContact CD1-CB 3.79Å; Y201-L231 WeakPolarHBondContact CD1-O 3.23Å; Y201-L231 HydrophobicContact CD2-CD2 4.1Å; Y201-L231 HydrophobicContact CE1-CB 4.27Å; Y201-L231 HydrophobicContact CG-CB 3.92Å; Y201-L231 HydrophobicContact CG-CD2 4.04Å; Y201-L231 HydrophobicContact CG-CG 4.44Å |
| 202 | Q | 98.9 | Very high | 98.8 | Very high | 115 Ų | 115 | 46.6 Ų | 46.6 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 170.3 | -75.4 | 176.5 | 0.6 | 0 | 0 | 111.9 | V198 Q199 A204 V205 K206 | V198-Q202 HydrophobicContact CG1-CG 4.44Å; V198-Q202 WeakPolarHBondContact O-CB 3.43Å; V198-Q202 VanDerWaalsContact O-CG 3.28Å; V198-Q202 WeakPolarHBondContact O-CG 3.39Å; V198-Q202 PolarHBondContact O-N 3.18Å; Q199-Q202 PolarHBondContact O-N 3.19Å; Q202-A204 VanDerWaalsContact C-N 3.31Å; Q202-V205 PolarHBondContact O-N 3.04Å; Q202-K206 WeakPolarHBondContact O-CB 3.47Å; Q202-K206 PolarHBondContact O-N 2.73Å |
| 203 | E | 98.9 | Very high | 98.9 | Very high | 54 Ų | 54 | 46.5 Ų | 46.5 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.5 | -34.4 | 174.3 | -179.2 | 59 | -162 | 0 | 0 | 111.8 | V166 K170 Q199 A200 Y201 K206 S207 | V166-E203 HydrophobicContact CG1-CB 4.34Å; V166-E203 HydrophobicContact CG1-CG 4.22Å; V166-E203 HydrophobicContact CG2-CB 4.3Å; V166-E203 HydrophobicContact CG2-CG 4.12Å; K170-E203 HydrophobicContact CD-CG 4.49Å; K170-E203 IonicContact NZ-OE1 3.52Å; K170-E203 PolarHBondContact NZ-OE1 3.5Å; Q199-E203 WeakPolarHBondContact O-CB 3.45Å; Q199-E203 PolarHBondContact O-N 2.93Å; A200-E203 PolarHBondContact O-N 3.32Å; Y201-E203 VanDerWaalsContact C-N 3.35Å; E203-K206 PolarHBondContact O-N 3.5Å; E203-S207 VanDerWaalsContact O-CB 3.22Å; E203-S207 WeakPolarHBondContact O-CB 3.28Å; E203-S207 PolarHBondContact O-N 2.86Å; E203-S207 PolarHBondContact O-OG 3.29Å; E203-S207 VanDerWaalsContact O-OG 3.09Å; E203-S207 PolarHBondContact OE1-OG 3.19Å |
| 204 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V166 I180 A200 Y201 Q202 K206 S207 G208 I209 R211 | V166-A204 HydrophobicContact CG2-CB 4.11Å; I180-A204 HydrophobicContact CG2-CB 3.98Å; A200-A204 WeakPolarHBondContact O-CB 3.41Å; A200-A204 PolarHBondContact O-N 3.34Å; Y201-A204 WeakPolarHBondContact O-CB 3.21Å; Y201-A204 PolarHBondContact O-N 3.22Å; Q202-A204 VanDerWaalsContact C-N 3.31Å; A204-K206 PolarHBondContact O-N 3.02Å; A204-S207 PolarHBondContact O-N 3.47Å; A204-G208 PolarHBondContact O-N 3.49Å; A204-I209 HydrophobicContact CB-CB 3.97Å; A204-I209 HydrophobicContact CB-CG2 4.34Å; A204-I209 PolarHBondContact O-N 3.29Å; A204-R211 HydrophobicContact CB-CG 3.95Å |
| 205 | V | 98.9 | Very high | 98.9 | Very high | 68 Ų | 68 | 40.3 Ų | 40.3 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.2 | -50.6 | 172.8 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | Y201 Q202 S207 G208 K232 | Y201-V205 WeakPolarHBondContact O-CG2 3.4Å; Y201-V205 PolarHBondContact O-N 2.95Å; Q202-V205 PolarHBondContact O-N 3.04Å; V205-S207 VanDerWaalsContact C-N 3.28Å; V205-S207 PolarHBondContact O-N 3.16Å; V205-G208 PolarHBondContact O-N 3.12Å; V205-K232 HydrophobicContact CG2-CB 3.78Å; V205-K232 HydrophobicContact CG2-CG 4.2Å |
| 206 | K | 98.9 | Very high | 98.9 | Very high | 169 Ų | 169 | 36.3 Ų | 36.3 | 74% | 0.735 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62.1 | -35.6 | -178.3 | -177 | -175.5 | 173 | -168.5 | 0 | 112.8 | Q202 E203 A204 | Q202-K206 WeakPolarHBondContact O-CB 3.47Å; Q202-K206 PolarHBondContact O-N 2.73Å; E203-K206 PolarHBondContact O-N 3.5Å; A204-K206 PolarHBondContact O-N 3.02Å |
| 207 | S | 98.6 | Very high | 98.9 | Very high | 45 Ų | 45 | 36 Ų | 36 | 32% | 0.315 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -93.5 | 0.5 | -176.1 | -63.3 | 0 | 0 | 0 | 0 | 113.9 | K170 E203 A204 V205 I209 | K170-S207 WeakPolarHBondContact CE-OG 3.37Å; K170-S207 PolarHBondContact NZ-OG 3.42Å; E203-S207 VanDerWaalsContact O-CB 3.22Å; E203-S207 WeakPolarHBondContact O-CB 3.28Å; E203-S207 PolarHBondContact O-N 2.86Å; E203-S207 PolarHBondContact O-OG 3.29Å; E203-S207 VanDerWaalsContact O-OG 3.09Å; E203-S207 PolarHBondContact OE1-OG 3.19Å; A204-S207 PolarHBondContact O-N 3.47Å; V205-S207 VanDerWaalsContact C-N 3.28Å; V205-S207 PolarHBondContact O-N 3.16Å; S207-I209 VanDerWaalsContact C-N 3.27Å; S207-I209 PolarHBondContact O-N 2.93Å |
| 208 | G | 98.6 | Very high | 98.8 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 60% | 0.598 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 25.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | A204 V205 | A204-G208 PolarHBondContact O-N 3.49Å; V205-G208 PolarHBondContact O-N 3.12Å |
| 209 | I | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | trans | -82.3 | 128.7 | 171.8 | -58.2 | -60.8 | 0 | 0 | 0 | 108.3 | C169 K170 I180 A204 S207 R211 | C169-I209 HydrophobicContact CB-CD1 4.27Å; C169-I209 HydrophobicContact CB-CG1 4.39Å; C169-I209 HydrophobicContact CB-CG2 3.74Å; K170-I209 HydrophobicContact CG-CD1 3.96Å; K170-I209 HydrophobicContact CG-CG1 3.84Å; I180-I209 HydrophobicContact CB-CG2 4.46Å; I180-I209 HydrophobicContact CG2-CG2 4.42Å; A204-I209 HydrophobicContact CB-CB 3.97Å; A204-I209 HydrophobicContact CB-CG2 4.34Å; A204-I209 PolarHBondContact O-N 3.29Å; S207-I209 VanDerWaalsContact C-N 3.27Å; S207-I209 PolarHBondContact O-N 2.93Å; I209-R211 PolarHBondContact O-NH1 3.41Å | ||
| 210 | H | 98.9 | Very high | 98.8 | Very high | 54 Ų | 54 | 34.8 Ų | 34.8 | 25% | 0.25 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 154.8 | 179.1 | -75.4 | -61.1 | 0 | 0 | 0 | 113 | V178 A179 I180 E234 F334 | V178-H210 WeakPolarHBondContact O-CB 3.42Å; A179-H210 CarbonylContact C-O 3.46Å; A179-H210 VanDerWaalsContact CA-O 3.28Å; A179-H210 WeakPolarHBondContact CA-O 3.4Å; A179-H210 HydrophobicContact CB-CB 3.76Å; A179-H210 WeakPolarHBondContact CB-O 3.3Å; I180-H210 WeakPolarHBondContact CG2-O 3.36Å; I180-H210 PolarHBondContact N-O 2.73Å; H210-E234 WeakPolarHBondContact CA-OE2 3.45Å; H210-E234 VanDerWaalsContact CB-OE2 3.32Å; H210-E234 WeakPolarHBondContact CB-OE2 3.49Å; H210-E234 IonicContact CG-OE2 2.73Å; H210-E234 IonicContact ND1-OE1 2.83Å; H210-E234 PolarHBondContact ND1-OE1 3Å; H210-E234 IonicContact ND1-OE2 3.48Å; H210-E234 PolarHBondContact ND1-OE2 3.03Å; H210-F334 HydrophobicContact CB-CB 3.96Å; H210-F334 HydrophobicContact CB-CD1 3.33Å; H210-F334 HydrophobicContact CB-CD2 3.99Å; H210-F334 HydrophobicContact CB-CE1 3.64Å; H210-F334 HydrophobicContact CB-CE2 4.21Å; H210-F334 HydrophobicContact CB-CG 3.51Å; H210-F334 HydrophobicContact CB-CZ 4.05Å; H210-F334 AromaticContact CD2-CD1 3.78Å; H210-F334 AromaticContact CD2-CG 3.97Å; H210-F334 AromaticContact CG-CD1 3.28Å; H210-F334 AromaticContact CG-CE1 3.89Å; H210-F334 AromaticContact CG-CG 3.73Å; H210-F334 AromaticContact ND1-CD1 3.56Å; H210-F334 AromaticContact ND1-CE1 3.92Å |
| 211 | R | 98.9 | Very high | 98.8 | Very high | 28 Ų | 28 | 35 Ų | 35 | 11% | 0.106 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 119.4 | -166.9 | -63.5 | 164 | -53.3 | -66.1 | -3.1 | 111 | I180 Y201 A204 I209 K232 T233 E234 R235 | I180-R211 HydrophobicContact CG2-CG 4.02Å; Y201-R211 HydrophobicContact CD1-CB 4.11Å; Y201-R211 HydrophobicContact CD1-CG 3.89Å; Y201-R211 HydrophobicContact CE1-CB 3.98Å; Y201-R211 HydrophobicContact CE1-CG 4.16Å; A204-R211 HydrophobicContact CB-CG 3.95Å; I209-R211 PolarHBondContact O-NH1 3.41Å; R211-K232 PolarHBondContact NE-O 3.48Å; R211-K232 PolarHBondContact NH2-O 3.16Å; R211-T233 PolarHBondContact O-OG1 3.11Å; R211-E234 VanDerWaalsContact CZ-CD 3.49Å; R211-E234 IonicContact CZ-OE1 3.29Å; R211-E234 IonicContact CZ-OE2 2.86Å; R211-E234 PolarHBondContact N-OE2 3.15Å; R211-E234 IonicContact NH1-OE1 3.84Å; R211-E234 PolarHBondContact NH1-OE1 3.45Å; R211-E234 IonicContact NH1-OE2 2.84Å; R211-E234 IonicContact NH2-OE1 3.87Å; R211-E234 PolarHBondContact NH2-OE1 3.46Å; R211-E234 IonicContact NH2-OE2 3.57Å; R211-E234 WeakPolarHBondContact O-CB 3.44Å; R211-E234 PolarHBondContact O-N 2.66Å; R211-R235 PolarHBondContact O-N 3.39Å |
| 212 | T | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 159.8 | 161.5 | -170.4 | 0 | 0 | 0 | 0 | 109 | I151 I180 D181 Y201 T233 R235 E260 F334 | I151-T212 HydrophobicContact CD1-CG2 4.16Å; I151-T212 HydrophobicContact CG2-CG2 4.25Å; I180-T212 PolarHBondContact O-N 3.34Å; D181-T212 WeakPolarHBondContact CA-O 3.19Å; D181-T212 HydrophobicContact CB-CG2 3.69Å; Y201-T212 PolarHBondContact OH-O 2.84Å; T212-T233 VanDerWaalsContact CA-OG1 3.29Å; T212-T233 WeakPolarHBondContact CA-OG1 3.13Å; T212-R235 PolarHBondContact OG1-O 2.92Å; T212-E260 PolarHBondContact OG1-OE1 3.13Å; T212-E260 PolarHBondContact OG1-OE2 3.05Å; T212-F334 HydrophobicContact CG2-CE2 4.34Å |
| 213 | V | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 129.7 | 179.7 | 174.7 | 0 | 0 | 0 | 0 | 108.1 | D181 L182 Y201 A215 A227 L231 T233 R235 G237 | D181-V213 WeakPolarHBondContact OD1-CA 3.45Å; L182-V213 HydrophobicContact CB-CG1 4.28Å; L182-V213 HydrophobicContact CD2-CG1 4.39Å; Y201-V213 HydrophobicContact CD1-CG2 4.47Å; Y201-V213 HydrophobicContact CE1-CG2 3.53Å; Y201-V213 WeakPolarHBondContact OH-CG2 3.19Å; V213-A215 HydrophobicContact CG1-CB 4.15Å; V213-A215 PolarHBondContact O-N 3.3Å; V213-A227 HydrophobicContact CB-CB 3.93Å; V213-A227 HydrophobicContact CG1-CB 3.66Å; V213-A227 HydrophobicContact CG2-CB 4.3Å; V213-L231 HydrophobicContact CG1-CD1 4.25Å; V213-L231 HydrophobicContact CG2-CB 4.22Å; V213-L231 HydrophobicContact CG2-CD1 3.93Å; V213-T233 PolarHBondContact N-OG1 3.37Å; V213-R235 PolarHBondContact N-O 3.1Å; V213-G237 PolarHBondContact O-N 2.94Å |
| 214 | H | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 113.1 | 163.6 | -73.3 | 64.6 | 0 | 0 | 0 | 109.1 | H15 H17 R101 R156 D181 L182 H238 | H15-H214 AromaticContact CE1-CD2 3.83Å; H15-H214 AromaticContact CE1-CE1 3.49Å; H15-H214 PolarHBondContact CE1-CE1 3.23Å; H15-H214 VanDerWaalsContact CE1-CE1 3.49Å; H15-H214 AromaticContact CE1-NE2 3.33Å; H15-H214 PolarHBondContact CE1-NE2 3.35Å; H15-H214 VanDerWaalsContact CE1-NE2 3.33Å; H15-H214 AromaticContact NE2-CD2 3.95Å; H15-H214 AromaticContact NE2-CE1 3.53Å; H15-H214 AromaticContact NE2-NE2 3.14Å; H15-H214 PolarHBondContact NE2-NE2 3.46Å; H15-H214 VanDerWaalsContact NE2-NE2 3.14Å; H17-H214 AromaticContact NE2-CE1 3.47Å; H17-H214 PolarHBondContact NE2-CE1 3.36Å; H17-H214 AromaticContact NE2-NE2 3.42Å; H17-H214 PolarHBondContact NE2-NE2 3.01Å; R101-H214 PolarHBondContact NH1-CE1 2.87Å; R156-H214 PolarHBondContact NH2-O 2.57Å; D181-H214 PolarHBondContact OD1-N 3.17Å; D181-H214 IonicContact OD1-ND1 2.77Å; D181-H214 PolarHBondContact OD1-ND1 3.23Å; D181-H214 IonicContact OD2-CE1 3.8Å; D181-H214 PolarHBondContact OD2-CE1 3.39Å; D181-H214 IonicContact OD2-ND1 3.84Å; D181-H214 PolarHBondContact OD2-ND1 3.1Å; D181-H214 VanDerWaalsContact OD2-ND1 3.12Å; L182-H214 WeakPolarHBondContact O-CB 3.46Å; L182-H214 PolarHBondContact O-N 3.29Å; L182-H214 PolarHBondContact O-ND1 3.29Å; H214-H238 AromaticContact CD2-CD2 3.52Å; H214-H238 AromaticContact CD2-NE2 3.17Å; H214-H238 PolarHBondContact CD2-NE2 2.84Å; H214-H238 AromaticContact NE2-NE2 3.65Å |
| 215 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 145.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E186 V213 E217 V223 V224 A227 L236 G237 G239 | E186-A215 VanDerWaalsContact OE1-CA 3.25Å; E186-A215 WeakPolarHBondContact OE1-CA 3.33Å; V213-A215 HydrophobicContact CG1-CB 4.15Å; V213-A215 PolarHBondContact O-N 3.3Å; A215-E217 PolarHBondContact O-N 3.09Å; A215-V223 HydrophobicContact CB-CG1 4.03Å; A215-V224 HydrophobicContact CB-CG2 4.26Å; A215-A227 HydrophobicContact CB-CB 3.81Å; A215-L236 HydrophobicContact CB-CD2 4.01Å; A215-G237 PolarHBondContact N-O 2.76Å; A215-G237 VanDerWaalsContact N-O 3.16Å; A215-G239 WeakPolarHBondContact O-CA 3.32Å; A215-G239 PolarHBondContact O-N 3.04Å |
| 216 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 70.7 | 20 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E186 G219 Y240 H241 | E186-G216 PolarHBondContact OE1-N 2.78Å; G216-G219 WeakPolarHBondContact CA-O 3.45Å; G216-Y240 PolarHBondContact O-N 3.48Å; G216-H241 PolarHBondContact O-N 3.01Å; G216-H241 PolarHBondContact O-ND1 2.8Å |
| 217 | E | 98.7 | Very high | 98.7 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.028 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -75.7 | -63 | 172 | -170.8 | -157.7 | 158.3 | 0 | 0 | 109.1 | E186 A215 H238 Y240 H241 T269 A271 | E186-E217 WeakPolarHBondContact OE2-CB 3.28Å; E186-E217 PolarHBondContact OE2-N 3Å; A215-E217 PolarHBondContact O-N 3.09Å; E217-H238 HydrophobicContact CB-CB 3.79Å; E217-H238 VanDerWaalsContact CB-CD2 3.46Å; E217-H238 WeakPolarHBondContact CB-CD2 3.38Å; E217-H238 HydrophobicContact CG-CB 4Å; E217-H238 VanDerWaalsContact CG-CD2 3.48Å; E217-H238 WeakPolarHBondContact CG-CD2 3.32Å; E217-H238 IonicContact OE2-CD2 3.45Å; E217-H238 IonicContact OE2-NE2 2.64Å; E217-Y240 HydrophobicContact CG-CE2 4.23Å; E217-H241 PolarHBondContact O-CE1 3.42Å; E217-H241 PolarHBondContact O-ND1 3.38Å; E217-T269 PolarHBondContact OE1-OG1 3.23Å; E217-A271 HydrophobicContact CG-CB 3.83Å; E217-A271 WeakPolarHBondContact O-CB 3.12Å |
| 218 | V | 98.2 | Very high | 98.8 | Very high | 44 Ų | 44 | 24.5 Ų | 24.5 | 27% | 0.267 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -121.3 | -16.1 | 174.3 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | L58 E186 T187 A271 | L58-V218 HydrophobicContact CB-CG1 4.05Å; L58-V218 HydrophobicContact CB-CG2 4.23Å; L58-V218 HydrophobicContact CD2-CG2 3.56Å; E186-V218 HydrophobicContact CB-CG2 3.92Å; E186-V218 PolarHBondContact OE2-N 3.44Å; T187-V218 HydrophobicContact CG2-CG2 3.99Å; V218-A271 HydrophobicContact CG1-CB 4.04Å |
| 219 | G | 97.7 | Very high | 98.8 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -77.6 | 161.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E186 G216 H241 | E186-G219 VanDerWaalsContact CD-CA 3.47Å; E186-G219 WeakPolarHBondContact OE1-CA 3.25Å; E186-G219 PolarHBondContact OE2-N 2.98Å; G216-G219 WeakPolarHBondContact CA-O 3.45Å; G219-H241 WeakPolarHBondContact O-CB 3.12Å; G219-H241 VanDerWaalsContact O-CG 3.3Å |
| 220 | S | 98.7 | Very high | 98.8 | Very high | 55 Ų | 55 | 27.2 Ų | 27.2 | 39% | 0.385 | 14% | 0.143 | S | C | . | . | trans | -76.8 | 174.1 | -178.7 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | E222 V223 | S220-E222 PolarHBondContact O-N 3.31Å; S220-E222 PolarHBondContact OG-N 3.46Å; S220-V223 PolarHBondContact O-N 2.9Å | ||
| 221 | A | 98.7 | Very high | 98.8 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 5% | 0.05 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -52.7 | -22.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V224 K225 D245 L248 | A221-V224 WeakPolarHBondContact O-CB 3.35Å; A221-V224 PolarHBondContact O-N 3.14Å; A221-K225 WeakPolarHBondContact O-CG 3.45Å; A221-K225 PolarHBondContact O-N 3.46Å; A221-D245 HydrophobicContact CB-CB 3.84Å; A221-L248 HydrophobicContact CB-CD2 3.98Å; A221-L248 WeakPolarHBondContact O-CD2 3.31Å |
| 222 | E | 98.8 | Very high | 98.8 | Very high | 104 Ų | 104 | 28.4 Ų | 28.4 | 49% | 0.486 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -68.6 | -37 | 175.2 | -65.6 | -57 | 126.8 | 0 | 0 | 112 | S220 V224 K225 E226 | S220-E222 PolarHBondContact O-N 3.31Å; S220-E222 PolarHBondContact OG-N 3.46Å; E222-V224 PolarHBondContact O-N 3.33Å; E222-K225 WeakPolarHBondContact O-CB 3.31Å; E222-K225 PolarHBondContact O-N 3.48Å; E222-K225 VanDerWaalsContact O-N 3.1Å; E222-K225 IonicContact OE1-NZ 3.59Å; E222-K225 PolarHBondContact OE1-NZ 2.92Å; E222-E226 WeakPolarHBondContact O-CG 3.45Å; E222-E226 PolarHBondContact O-N 2.94Å |
| 223 | V | 98.8 | Very high | 98.8 | Very high | 20 Ų | 20 | 28.8 Ų | 28.8 | 12% | 0.121 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.8 | -33.4 | 175.4 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | E186 A215 S220 E226 A227 | E186-V223 HydrophobicContact CG-CG1 3.96Å; E186-V223 WeakPolarHBondContact OE1-CB 3.49Å; E186-V223 WeakPolarHBondContact OE1-CG1 3.39Å; A215-V223 HydrophobicContact CB-CG1 4.03Å; S220-V223 PolarHBondContact O-N 2.9Å; V223-E226 PolarHBondContact O-N 3.35Å; V223-A227 PolarHBondContact O-N 2.91Å |
| 224 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | A215 A221 E222 E226 A227 V228 L236 L248 L252 | A215-V224 HydrophobicContact CB-CG2 4.26Å; A221-V224 WeakPolarHBondContact O-CB 3.35Å; A221-V224 PolarHBondContact O-N 3.14Å; E222-V224 PolarHBondContact O-N 3.33Å; V224-E226 VanDerWaalsContact C-N 3.32Å; V224-E226 PolarHBondContact O-N 3.03Å; V224-A227 WeakPolarHBondContact O-CB 3.45Å; V224-A227 PolarHBondContact O-N 2.68Å; V224-V228 HydrophobicContact CG1-CG2 4.39Å; V224-V228 WeakPolarHBondContact O-CG2 3.48Å; V224-V228 PolarHBondContact O-N 2.82Å; V224-L236 HydrophobicContact CG1-CD1 3.61Å; V224-L236 HydrophobicContact CG1-CD2 4.01Å; V224-L236 HydrophobicContact CG1-CG 4.49Å; V224-L248 HydrophobicContact CB-CD2 4.02Å; V224-L248 HydrophobicContact CG1-CD2 3.91Å; V224-L252 HydrophobicContact CG1-CD1 3.86Å |
| 225 | K | 98.9 | Very high | 98.8 | Very high | 55 Ų | 55 | 31.5 Ų | 31.5 | 24% | 0.239 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 174.2 | -70.8 | 171.3 | -173.6 | 167.2 | 0 | 111.3 | A221 E222 A227 V228 D229 D245 L248 | A221-K225 WeakPolarHBondContact O-CG 3.45Å; A221-K225 PolarHBondContact O-N 3.46Å; E222-K225 WeakPolarHBondContact O-CB 3.31Å; E222-K225 PolarHBondContact O-N 3.48Å; E222-K225 VanDerWaalsContact O-N 3.1Å; E222-K225 IonicContact OE1-NZ 3.59Å; E222-K225 PolarHBondContact OE1-NZ 2.92Å; K225-A227 PolarHBondContact O-N 2.73Å; K225-V228 PolarHBondContact O-N 3Å; K225-D229 WeakPolarHBondContact O-CA 3.39Å; K225-D229 VanDerWaalsContact O-CB 3.24Å; K225-D229 WeakPolarHBondContact O-CB 3.4Å; K225-D229 PolarHBondContact O-N 3.22Å; K225-D245 VanDerWaalsContact CE-OD2 3.23Å; K225-D245 WeakPolarHBondContact CE-OD2 3.36Å; K225-D245 IonicContact NZ-OD2 2.68Å; K225-D245 PolarHBondContact NZ-OD2 3.36Å; K225-L248 HydrophobicContact CG-CD1 3.88Å; K225-L248 HydrophobicContact CG-CD2 3.89Å; K225-L248 HydrophobicContact CG-CG 4.46Å |
| 226 | E | 98.9 | Very high | 98.8 | Very high | 43 Ų | 43 | 31.5 Ų | 31.5 | 20% | 0.201 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -60.4 | -44.7 | 175.8 | -66 | 172 | 165.8 | 0 | 0 | 111.8 | S192 L193 E222 V223 V224 V228 I230 L231 | S192-E226 WeakPolarHBondContact CB-OE2 3.44Å; S192-E226 PolarHBondContact OG-OE2 3.42Å; L193-E226 HydrophobicContact CD2-CB 4.41Å; L193-E226 HydrophobicContact CD2-CG 4.07Å; L193-E226 HydrophobicContact CG-CG 4.45Å; E222-E226 WeakPolarHBondContact O-CG 3.45Å; E222-E226 PolarHBondContact O-N 2.94Å; V223-E226 PolarHBondContact O-N 3.35Å; V224-E226 VanDerWaalsContact C-N 3.32Å; V224-E226 PolarHBondContact O-N 3.03Å; E226-V228 PolarHBondContact O-N 2.98Å; E226-I230 WeakPolarHBondContact O-CA 3.47Å; E226-I230 VanDerWaalsContact O-CB 3.24Å; E226-I230 WeakPolarHBondContact O-CB 3.46Å; E226-I230 PolarHBondContact O-N 2.88Å; E226-L231 PolarHBondContact O-N 3.1Å |
| 227 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -60.1 | -43.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V213 A215 V223 V224 K225 L231 K232 T233 L236 | V213-A227 HydrophobicContact CB-CB 3.93Å; V213-A227 HydrophobicContact CG1-CB 3.66Å; V213-A227 HydrophobicContact CG2-CB 4.3Å; A215-A227 HydrophobicContact CB-CB 3.81Å; V223-A227 PolarHBondContact O-N 2.91Å; V224-A227 WeakPolarHBondContact O-CB 3.45Å; V224-A227 PolarHBondContact O-N 2.68Å; K225-A227 PolarHBondContact O-N 2.73Å; A227-L231 CarbonylContact O-C 3.59Å; A227-L231 WeakPolarHBondContact O-CB 3.22Å; A227-K232 PolarHBondContact O-N 2.75Å; A227-K232 VanDerWaalsContact O-N 3.09Å; A227-T233 HydrophobicContact CB-CG2 4.13Å; A227-T233 WeakPolarHBondContact O-CB 3.48Å; A227-T233 PolarHBondContact O-N 3.4Å; A227-L236 HydrophobicContact CB-CD2 4.04Å |
| 228 | V | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 31.2 Ų | 31.2 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -79.1 | -49.4 | -177.7 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | V224 K225 E226 K232 T233 L252 M257 | V224-V228 HydrophobicContact CG1-CG2 4.39Å; V224-V228 WeakPolarHBondContact O-CG2 3.48Å; V224-V228 PolarHBondContact O-N 2.82Å; K225-V228 PolarHBondContact O-N 3Å; E226-V228 PolarHBondContact O-N 2.98Å; V228-K232 VanDerWaalsContact O-CA 3.28Å; V228-K232 WeakPolarHBondContact O-CA 3.3Å; V228-K232 PolarHBondContact O-N 2.88Å; V228-T233 HydrophobicContact CG2-CG2 4.02Å; V228-L252 HydrophobicContact CB-CD2 4.4Å; V228-L252 HydrophobicContact CG1-CD2 3.89Å; V228-L252 HydrophobicContact CG2-CD1 4.37Å; V228-L252 HydrophobicContact CG2-CD2 3.87Å; V228-M257 HydrophobicContact CG2-CE 3.87Å |
| 229 | D | 98.9 | Very high | 98.8 | Very high | 51 Ų | 51 | 29.3 Ų | 29.3 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -87.8 | -27.3 | -169.3 | -66.3 | -32.4 | 0 | 0 | 0 | 113.2 | K225 K232 R251 | K225-D229 WeakPolarHBondContact O-CA 3.39Å; K225-D229 VanDerWaalsContact O-CB 3.24Å; K225-D229 WeakPolarHBondContact O-CB 3.4Å; K225-D229 PolarHBondContact O-N 3.22Å; D229-K232 WeakPolarHBondContact O-CE 3.25Å; D229-K232 PolarHBondContact O-NZ 2.94Å; D229-R251 VanDerWaalsContact CG-NH1 3.31Å; D229-R251 IonicContact OD1-CZ 3.21Å; D229-R251 IonicContact OD1-NH1 3.18Å; D229-R251 PolarHBondContact OD1-NH1 2.89Å; D229-R251 IonicContact OD1-NH2 3.17Å; D229-R251 PolarHBondContact OD1-NH2 2.93Å; D229-R251 IonicContact OD2-NH1 2.68Å; D229-R251 PolarHBondContact OD2-NH1 3.07Å |
| 230 | I | 98.9 | Very high | 98.9 | Very high | 74 Ų | 74 | 29.5 Ų | 29.5 | 38% | 0.379 | 15% | 0.148 | S | C | . | . | I | π-helix | trans | -104.2 | -53.5 | -179.6 | -50.6 | -58 | 0 | 0 | 0 | 110.7 | L193 V198 E226 K232 | L193-I230 HydrophobicContact CD2-CB 4.31Å; L193-I230 HydrophobicContact CD2-CG1 3.97Å; L193-I230 HydrophobicContact CD2-CG2 4.08Å; V198-I230 HydrophobicContact CG1-CG2 4.17Å; V198-I230 HydrophobicContact CG2-CG2 4.03Å; E226-I230 WeakPolarHBondContact O-CA 3.47Å; E226-I230 VanDerWaalsContact O-CB 3.24Å; E226-I230 WeakPolarHBondContact O-CB 3.46Å; E226-I230 PolarHBondContact O-N 2.88Å; I230-K232 VanDerWaalsContact C-N 3.27Å; I230-K232 PolarHBondContact O-N 3.43Å |
| 231 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -80 | -9.8 | -178.8 | -55 | -178.1 | 0 | 0 | 0 | 113 | L182 V198 Y201 V213 E226 A227 T233 | L182-L231 HydrophobicContact CD2-CD1 3.77Å; V198-L231 HydrophobicContact CG2-CD2 4.13Å; Y201-L231 HydrophobicContact CD1-CB 3.79Å; Y201-L231 WeakPolarHBondContact CD1-O 3.23Å; Y201-L231 HydrophobicContact CD2-CD2 4.1Å; Y201-L231 HydrophobicContact CE1-CB 4.27Å; Y201-L231 HydrophobicContact CG-CB 3.92Å; Y201-L231 HydrophobicContact CG-CD2 4.04Å; Y201-L231 HydrophobicContact CG-CG 4.44Å; V213-L231 HydrophobicContact CG1-CD1 4.25Å; V213-L231 HydrophobicContact CG2-CB 4.22Å; V213-L231 HydrophobicContact CG2-CD1 3.93Å; E226-L231 PolarHBondContact O-N 3.1Å; A227-L231 CarbonylContact O-C 3.59Å; A227-L231 WeakPolarHBondContact O-CB 3.22Å; L231-T233 PolarHBondContact O-N 2.96Å |
| 232 | K | 98.9 | Very high | 98.9 | Very high | 107 Ų | 107 | 28.6 Ų | 28.6 | 47% | 0.465 | 14% | 0.137 | S | C | . | . | trans | 56.7 | 38.5 | 176.7 | -53.2 | -51.9 | -169.7 | -177 | 0 | 112.6 | V205 R211 A227 V228 D229 I230 | V205-K232 HydrophobicContact CG2-CB 3.78Å; V205-K232 HydrophobicContact CG2-CG 4.2Å; R211-K232 PolarHBondContact NE-O 3.48Å; R211-K232 PolarHBondContact NH2-O 3.16Å; A227-K232 PolarHBondContact O-N 2.75Å; A227-K232 VanDerWaalsContact O-N 3.09Å; V228-K232 VanDerWaalsContact O-CA 3.28Å; V228-K232 WeakPolarHBondContact O-CA 3.3Å; V228-K232 PolarHBondContact O-N 2.88Å; D229-K232 WeakPolarHBondContact O-CE 3.25Å; D229-K232 PolarHBondContact O-NZ 2.94Å; I230-K232 VanDerWaalsContact C-N 3.27Å; I230-K232 PolarHBondContact O-N 3.43Å | ||
| 233 | T | 98.9 | Very high | 98.9 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 6% | 0.055 | 12% | 0.123 | C | C | . | . | trans | -60.7 | 148.6 | -179.2 | -157.8 | 0 | 0 | 0 | 0 | 112 | R211 T212 V213 A227 V228 L231 R235 L236 M257 | R211-T233 PolarHBondContact O-OG1 3.11Å; T212-T233 VanDerWaalsContact CA-OG1 3.29Å; T212-T233 WeakPolarHBondContact CA-OG1 3.13Å; V213-T233 PolarHBondContact N-OG1 3.37Å; A227-T233 HydrophobicContact CB-CG2 4.13Å; A227-T233 WeakPolarHBondContact O-CB 3.48Å; A227-T233 PolarHBondContact O-N 3.4Å; V228-T233 HydrophobicContact CG2-CG2 4.02Å; L231-T233 PolarHBondContact O-N 2.96Å; T233-R235 WeakPolarHBondContact CG2-O 3.43Å; T233-R235 PolarHBondContact OG1-O 3.15Å; T233-L236 HydrophobicContact CG2-CD2 4.03Å; T233-L236 HydrophobicContact CG2-CG 4.36Å; T233-M257 HydrophobicContact CG2-CE 4.26Å | ||
| 234 | E | 98.9 | Very high | 98.9 | Very high | 66 Ų | 66 | 30.4 Ų | 30.4 | 31% | 0.308 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -101.2 | -21.5 | 177.8 | -61.9 | 168 | 138.6 | 0 | 0 | 111.5 | H210 R211 F334 | H210-E234 WeakPolarHBondContact CA-OE2 3.45Å; H210-E234 VanDerWaalsContact CB-OE2 3.32Å; H210-E234 WeakPolarHBondContact CB-OE2 3.49Å; H210-E234 IonicContact CG-OE2 2.73Å; H210-E234 IonicContact ND1-OE1 2.83Å; H210-E234 PolarHBondContact ND1-OE1 3Å; H210-E234 IonicContact ND1-OE2 3.48Å; H210-E234 PolarHBondContact ND1-OE2 3.03Å; R211-E234 VanDerWaalsContact CZ-CD 3.49Å; R211-E234 IonicContact CZ-OE1 3.29Å; R211-E234 IonicContact CZ-OE2 2.86Å; R211-E234 PolarHBondContact N-OE2 3.15Å; R211-E234 IonicContact NH1-OE1 3.84Å; R211-E234 PolarHBondContact NH1-OE1 3.45Å; R211-E234 IonicContact NH1-OE2 2.84Å; R211-E234 IonicContact NH2-OE1 3.87Å; R211-E234 PolarHBondContact NH2-OE1 3.46Å; R211-E234 IonicContact NH2-OE2 3.57Å; R211-E234 WeakPolarHBondContact O-CB 3.44Å; R211-E234 PolarHBondContact O-N 2.66Å; E234-F334 HydrophobicContact CB-CE1 4.07Å; E234-F334 HydrophobicContact CB-CZ 4.42Å |
| 235 | R | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 155.9 | 174.8 | -48 | -167.4 | -48.5 | -146 | -1.1 | 110.2 | E99 R211 T212 V213 T233 H258 E260 S332 F334 | E99-R235 IonicContact OE1-NH1 2.88Å; E99-R235 PolarHBondContact OE1-NH1 3.05Å; E99-R235 IonicContact OE2-CZ 3.79Å; E99-R235 IonicContact OE2-NH1 2.77Å; E99-R235 PolarHBondContact OE2-NH1 3.02Å; E99-R235 IonicContact OE2-NH2 2.76Å; E99-R235 PolarHBondContact OE2-NH2 3.03Å; R211-R235 PolarHBondContact O-N 3.39Å; T212-R235 PolarHBondContact OG1-O 2.92Å; V213-R235 PolarHBondContact N-O 3.1Å; T233-R235 WeakPolarHBondContact CG2-O 3.43Å; T233-R235 PolarHBondContact OG1-O 3.15Å; R235-H258 WeakPolarHBondContact CA-O 3.36Å; R235-H258 HydrophobicContact CB-CB 4.27Å; R235-H258 HydrophobicContact CG-CB 3.93Å; R235-E260 HydrophobicContact CB-CG 4.35Å; R235-E260 IonicContact CZ-OE1 3.77Å; R235-E260 IonicContact NE-OE1 4Å; R235-E260 PolarHBondContact NE-OE1 2.9Å; R235-E260 IonicContact NH2-OE1 3.82Å; R235-E260 PolarHBondContact NH2-OE1 3.23Å; R235-S332 WeakPolarHBondContact CD-O 3.23Å; R235-S332 PolarHBondContact NH1-O 3Å; R235-F334 HydrophobicContact CB-CZ 4.42Å; R235-F334 HydrophobicContact CG-CE1 4Å; R235-F334 HydrophobicContact CG-CZ 3.69Å; R235-F334 VanDerWaalsContact CZ-CD2 3.49Å |
| 236 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.1 | 173.7 | -73.8 | 164.3 | 0 | 0 | 0 | 109.4 | A215 V224 A227 T233 H238 L252 M257 H258 F259 E260 | A215-L236 HydrophobicContact CB-CD2 4.01Å; V224-L236 HydrophobicContact CG1-CD1 3.61Å; V224-L236 HydrophobicContact CG1-CD2 4.01Å; V224-L236 HydrophobicContact CG1-CG 4.49Å; A227-L236 HydrophobicContact CB-CD2 4.04Å; T233-L236 HydrophobicContact CG2-CD2 4.03Å; T233-L236 HydrophobicContact CG2-CG 4.36Å; L236-H238 PolarHBondContact O-N 3.26Å; L236-L252 HydrophobicContact CD1-CD1 3.88Å; L236-M257 HydrophobicContact CD1-CG 3.82Å; L236-M257 HydrophobicContact CD1-SD 4.17Å; L236-M257 HydrophobicContact CG-CG 4.28Å; L236-M257 HydrophobicContact CG-SD 4Å; L236-H258 PolarHBondContact N-O 3.05Å; L236-F259 HydrophobicContact CB-CD1 4.31Å; L236-F259 HydrophobicContact CD1-CD1 4.1Å; L236-F259 HydrophobicContact CD1-CE1 3.64Å; L236-F259 HydrophobicContact CD1-CZ 4.32Å; L236-E260 WeakPolarHBondContact O-CB 3.5Å; L236-E260 PolarHBondContact O-N 3.45Å |
| 237 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 118.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | V213 A215 G239 | V213-G237 PolarHBondContact O-N 2.94Å; A215-G237 PolarHBondContact N-O 2.76Å; A215-G237 VanDerWaalsContact N-O 3.16Å; G237-G239 PolarHBondContact O-N 2.7Å |
| 238 | H | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.1 | -89.1 | -173.8 | -43.9 | -69.9 | 0 | 0 | 0 | 114 | H15 H214 E217 L236 Y240 E260 I261 D295 | H15-H238 AromaticContact CE1-CE1 3.98Å; H15-H238 AromaticContact CE1-NE2 3.71Å; H15-H238 AromaticContact NE2-CE1 3.8Å; H15-H238 AromaticContact NE2-NE2 3.7Å; H214-H238 AromaticContact CD2-CD2 3.52Å; H214-H238 AromaticContact CD2-NE2 3.17Å; H214-H238 PolarHBondContact CD2-NE2 2.84Å; H214-H238 AromaticContact NE2-NE2 3.65Å; E217-H238 HydrophobicContact CB-CB 3.79Å; E217-H238 VanDerWaalsContact CB-CD2 3.46Å; E217-H238 WeakPolarHBondContact CB-CD2 3.38Å; E217-H238 HydrophobicContact CG-CB 4Å; E217-H238 VanDerWaalsContact CG-CD2 3.48Å; E217-H238 WeakPolarHBondContact CG-CD2 3.32Å; E217-H238 IonicContact OE2-CD2 3.45Å; E217-H238 IonicContact OE2-NE2 2.64Å; L236-H238 PolarHBondContact O-N 3.26Å; H238-Y240 HydrophobicContact CB-CD2 4.01Å; H238-Y240 HydrophobicContact CB-CE1 4.11Å; H238-Y240 HydrophobicContact CB-CE2 3.58Å; H238-Y240 HydrophobicContact CB-CG 4.47Å; H238-Y240 AromaticContact CG-CE2 4Å; H238-Y240 AromaticContact ND1-CE2 3.93Å; H238-Y240 AromaticContact ND1-CZ 3.73Å; H238-Y240 PolarHBondContact ND1-OH 3.38Å; H238-Y240 VanDerWaalsContact ND1-OH 3.14Å; H238-Y240 PolarHBondContact O-N 3.3Å; H238-E260 WeakPolarHBondContact CA-O 3.48Å; H238-E260 PolarHBondContact N-O 2.99Å; H238-I261 WeakPolarHBondContact O-CD1 3.36Å; H238-D295 IonicContact CE1-OD2 3.3Å; H238-D295 PolarHBondContact CE1-OD2 3.05Å |
| 239 | G | 98.8 | Very high | 98.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | trans | 72.4 | 17.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A215 G237 H241 T242 | A215-G239 WeakPolarHBondContact O-CA 3.32Å; A215-G239 PolarHBondContact O-N 3.04Å; G237-G239 PolarHBondContact O-N 2.7Å; G239-H241 PolarHBondContact O-N 2.66Å; G239-T242 WeakPolarHBondContact O-CB 3.48Å; G239-T242 PolarHBondContact O-N 3.46Å; G239-T242 PolarHBondContact O-OG1 3.45Å | ||
| 240 | Y | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -57.8 | -46.6 | -177.7 | -45.7 | -46.7 | 0 | 0 | 0 | 112.9 | G216 E217 H238 T242 L243 I261 C262 A271 A279 | G216-Y240 PolarHBondContact O-N 3.48Å; E217-Y240 HydrophobicContact CG-CE2 4.23Å; H238-Y240 HydrophobicContact CB-CD2 4.01Å; H238-Y240 HydrophobicContact CB-CE1 4.11Å; H238-Y240 HydrophobicContact CB-CE2 3.58Å; H238-Y240 HydrophobicContact CB-CG 4.47Å; H238-Y240 AromaticContact CG-CE2 4Å; H238-Y240 AromaticContact ND1-CE2 3.93Å; H238-Y240 AromaticContact ND1-CZ 3.73Å; H238-Y240 PolarHBondContact ND1-OH 3.38Å; H238-Y240 VanDerWaalsContact ND1-OH 3.14Å; H238-Y240 PolarHBondContact O-N 3.3Å; Y240-T242 PolarHBondContact O-N 2.9Å; Y240-T242 VanDerWaalsContact O-N 3.12Å; Y240-L243 PolarHBondContact O-N 2.84Å; Y240-I261 HydrophobicContact CD1-CD1 3.95Å; Y240-I261 HydrophobicContact CE1-CD1 3.72Å; Y240-I261 HydrophobicContact CE1-CG2 4.04Å; Y240-C262 WeakPolarHBondContact OH-CA 3.34Å; Y240-C262 PolarHBondContact OH-N 3.07Å; Y240-C262 PolarHBondContact OH-O 3.21Å; Y240-C262 VanDerWaalsContact OH-O 3.07Å; Y240-A271 HydrophobicContact CD2-CB 4.05Å; Y240-A271 HydrophobicContact CE2-CB 4.04Å; Y240-A279 HydrophobicContact CD1-CB 4.26Å |
| 241 | H | 98.8 | Very high | 98.8 | Very high | 41 Ų | 41 | 36.5 Ų | 36.5 | 19% | 0.19 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -72.2 | -2.2 | -177.5 | -65.9 | 78.9 | 0 | 0 | 0 | 113.2 | G216 E217 G219 G239 L243 E244 A271 | G216-H241 PolarHBondContact O-N 3.01Å; G216-H241 PolarHBondContact O-ND1 2.8Å; E217-H241 PolarHBondContact O-CE1 3.42Å; E217-H241 PolarHBondContact O-ND1 3.38Å; G219-H241 WeakPolarHBondContact O-CB 3.12Å; G219-H241 VanDerWaalsContact O-CG 3.3Å; G239-H241 PolarHBondContact O-N 2.66Å; H241-L243 PolarHBondContact O-N 3.05Å; H241-E244 HydrophobicContact CB-CG 4.31Å; H241-E244 IonicContact CD2-OE1 3.41Å; H241-E244 PolarHBondContact CD2-OE1 3.13Å; H241-E244 VanDerWaalsContact CD2-OE1 3.29Å; H241-E244 IonicContact CD2-OE2 2.81Å; H241-E244 WeakPolarHBondContact O-CB 3.32Å; H241-E244 WeakPolarHBondContact O-CG 3.26Å; H241-E244 PolarHBondContact O-N 2.85Å; H241-E244 VanDerWaalsContact O-N 3.13Å; H241-A271 PolarHBondContact CE1-O 2.91Å |
| 242 | T | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -53.5 | -35 | 165.5 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | G239 Y240 E244 D245 L248 Y249 L252 F259 | G239-T242 WeakPolarHBondContact O-CB 3.48Å; G239-T242 PolarHBondContact O-N 3.46Å; G239-T242 PolarHBondContact O-OG1 3.45Å; Y240-T242 PolarHBondContact O-N 2.9Å; Y240-T242 VanDerWaalsContact O-N 3.12Å; T242-E244 PolarHBondContact O-N 3.48Å; T242-D245 PolarHBondContact O-N 2.92Å; T242-D245 VanDerWaalsContact O-O 3.14Å; T242-L248 HydrophobicContact CG2-CD2 4.32Å; T242-L248 HydrophobicContact CG2-CG 4.25Å; T242-Y249 HydrophobicContact CG2-CD2 4.33Å; T242-L252 HydrophobicContact CG2-CD1 3.82Å; T242-F259 HydrophobicContact CG2-CE1 4.07Å; T242-F259 HydrophobicContact CG2-CZ 4.16Å |
| 243 | L | 98.7 | Very high | 98.8 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 19% | 0.194 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -70.4 | -10.7 | -177.3 | -62.3 | -175.4 | 0 | 0 | 0 | 113.8 | Y240 H241 D245 Q246 Y249 A279 R282 | Y240-L243 PolarHBondContact O-N 2.84Å; H241-L243 PolarHBondContact O-N 3.05Å; L243-D245 VanDerWaalsContact C-N 3.26Å; L243-D245 PolarHBondContact O-N 3.14Å; L243-Q246 PolarHBondContact O-NE2 3.39Å; L243-Y249 HydrophobicContact CD2-CD1 3.96Å; L243-Y249 HydrophobicContact CD2-CD2 3.46Å; L243-Y249 VanDerWaalsContact CD2-CD2 3.46Å; L243-Y249 HydrophobicContact CD2-CE1 4.19Å; L243-Y249 HydrophobicContact CD2-CE2 3.73Å; L243-Y249 HydrophobicContact CD2-CG 3.58Å; L243-A279 HydrophobicContact CD1-CB 3.58Å; L243-A279 HydrophobicContact CG-CB 4.43Å; L243-R282 HydrophobicContact CD1-CB 3.83Å; L243-R282 HydrophobicContact CD1-CG 4.13Å; L243-R282 HydrophobicContact CD2-CG 4.09Å |
| 244 | E | 98.7 | Very high | 98.8 | Very high | 126 Ų | 126 | 43 Ų | 43 | 59% | 0.589 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -68.6 | -28 | 173.2 | -59.1 | -175.6 | 138.8 | 0 | 0 | 112 | H241 T242 | H241-E244 HydrophobicContact CB-CG 4.31Å; H241-E244 IonicContact CD2-OE1 3.41Å; H241-E244 PolarHBondContact CD2-OE1 3.13Å; H241-E244 VanDerWaalsContact CD2-OE1 3.29Å; H241-E244 IonicContact CD2-OE2 2.81Å; H241-E244 WeakPolarHBondContact O-CB 3.32Å; H241-E244 WeakPolarHBondContact O-CG 3.26Å; H241-E244 PolarHBondContact O-N 2.85Å; H241-E244 VanDerWaalsContact O-N 3.13Å; T242-E244 PolarHBondContact O-N 3.48Å |
| 245 | D | 98.8 | Very high | 98.8 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | trans | -114 | 99.9 | 176 | -175.5 | -25.1 | 0 | 0 | 0 | 109.7 | A221 K225 T242 L243 A247 L248 Y249 | A221-D245 HydrophobicContact CB-CB 3.84Å; K225-D245 VanDerWaalsContact CE-OD2 3.23Å; K225-D245 WeakPolarHBondContact CE-OD2 3.36Å; K225-D245 IonicContact NZ-OD2 2.68Å; K225-D245 PolarHBondContact NZ-OD2 3.36Å; T242-D245 PolarHBondContact O-N 2.92Å; T242-D245 VanDerWaalsContact O-O 3.14Å; L243-D245 VanDerWaalsContact C-N 3.26Å; L243-D245 PolarHBondContact O-N 3.14Å; D245-A247 PolarHBondContact O-N 3.38Å; D245-A247 WeakPolarHBondContact OD1-CB 3.26Å; D245-A247 PolarHBondContact OD1-N 3.16Å; D245-L248 HydrophobicContact CB-CB 3.82Å; D245-L248 PolarHBondContact O-N 3.18Å; D245-L248 PolarHBondContact OD1-N 2.89Å; D245-Y249 PolarHBondContact O-N 3.25Å | ||
| 246 | Q | 98.7 | Very high | 98.8 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -28.4 | -178.5 | -65.9 | -61.4 | -63.3 | 0 | 0 | 113 | L243 N250 | L243-Q246 PolarHBondContact O-NE2 3.39Å; Q246-N250 VanDerWaalsContact O-CB 3.31Å; Q246-N250 WeakPolarHBondContact O-CB 3.44Å; Q246-N250 PolarHBondContact O-N 3.14Å; Q246-N250 PolarHBondContact O-ND2 3.41Å |
| 247 | A | 98.8 | Very high | 98.8 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 60% | 0.595 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -72.4 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D245 N250 R251 | D245-A247 PolarHBondContact O-N 3.38Å; D245-A247 WeakPolarHBondContact OD1-CB 3.26Å; D245-A247 PolarHBondContact OD1-N 3.16Å; A247-N250 PolarHBondContact O-N 3.03Å; A247-R251 WeakPolarHBondContact O-CB 3.34Å; A247-R251 PolarHBondContact O-N 3.14Å |
| 248 | L | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -51.7 | 172.6 | 179.9 | 63.1 | 0 | 0 | 0 | 111.1 | A221 V224 K225 T242 D245 N250 R251 L252 | A221-L248 HydrophobicContact CB-CD2 3.98Å; A221-L248 WeakPolarHBondContact O-CD2 3.31Å; V224-L248 HydrophobicContact CB-CD2 4.02Å; V224-L248 HydrophobicContact CG1-CD2 3.91Å; K225-L248 HydrophobicContact CG-CD1 3.88Å; K225-L248 HydrophobicContact CG-CD2 3.89Å; K225-L248 HydrophobicContact CG-CG 4.46Å; T242-L248 HydrophobicContact CG2-CD2 4.32Å; T242-L248 HydrophobicContact CG2-CG 4.25Å; D245-L248 HydrophobicContact CB-CB 3.82Å; D245-L248 PolarHBondContact O-N 3.18Å; D245-L248 PolarHBondContact OD1-N 2.89Å; L248-N250 VanDerWaalsContact C-N 3.32Å; L248-N250 PolarHBondContact O-N 3.41Å; L248-R251 WeakPolarHBondContact O-CB 3.27Å; L248-R251 PolarHBondContact O-N 3.18Å; L248-R251 VanDerWaalsContact O-N 3.14Å; L248-L252 HydrophobicContact CD1-CD1 4.08Å; L248-L252 HydrophobicContact CD1-CD2 4.31Å; L248-L252 HydrophobicContact CD1-CG 4.01Å; L248-L252 HydrophobicContact CG-CD1 4.09Å; L248-L252 HydrophobicContact CG-CG 4.3Å; L248-L252 WeakPolarHBondContact O-CG 3.33Å; L248-L252 PolarHBondContact O-N 3.13Å |
| 249 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.4 | -46.5 | 178.7 | 172.5 | -117 | 0 | 0 | 0 | 112.3 | T242 L243 D245 R251 L252 R253 R282 L283 D286 | T242-Y249 HydrophobicContact CG2-CD2 4.33Å; L243-Y249 HydrophobicContact CD2-CD1 3.96Å; L243-Y249 HydrophobicContact CD2-CD2 3.46Å; L243-Y249 VanDerWaalsContact CD2-CD2 3.46Å; L243-Y249 HydrophobicContact CD2-CE1 4.19Å; L243-Y249 HydrophobicContact CD2-CE2 3.73Å; L243-Y249 HydrophobicContact CD2-CG 3.58Å; D245-Y249 PolarHBondContact O-N 3.25Å; Y249-R251 PolarHBondContact O-N 3.42Å; Y249-L252 PolarHBondContact O-N 3.43Å; Y249-R253 HydrophobicContact CD2-CG 4.06Å; Y249-R253 HydrophobicContact CE1-CG 4.14Å; Y249-R253 HydrophobicContact CE2-CG 3.51Å; Y249-R253 WeakPolarHBondContact O-CB 3.49Å; Y249-R253 WeakPolarHBondContact O-CG 3.41Å; Y249-R253 PolarHBondContact O-N 3.48Å; Y249-R253 PolarHBondContact OH-NH1 3.45Å; Y249-R282 HydrophobicContact CE1-CG 4.43Å; Y249-L283 HydrophobicContact CE2-CD2 3.68Å; Y249-D286 WeakPolarHBondContact CE1-OD2 3.49Å; Y249-D286 VanDerWaalsContact CZ-OD2 3.3Å; Y249-D286 VanDerWaalsContact OH-CB 3.24Å; Y249-D286 WeakPolarHBondContact OH-CB 3.24Å; Y249-D286 VanDerWaalsContact OH-CG 3.29Å; Y249-D286 PolarHBondContact OH-OD2 3.47Å |
| 250 | N | 98.8 | Very high | 98.8 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 178.1 | -76.8 | -21.5 | 0 | 0 | 0 | 112.4 | Q246 A247 L248 R253 Q254 | Q246-N250 VanDerWaalsContact O-CB 3.31Å; Q246-N250 WeakPolarHBondContact O-CB 3.44Å; Q246-N250 PolarHBondContact O-N 3.14Å; Q246-N250 PolarHBondContact O-ND2 3.41Å; A247-N250 PolarHBondContact O-N 3.03Å; L248-N250 VanDerWaalsContact C-N 3.32Å; L248-N250 PolarHBondContact O-N 3.41Å; N250-R253 WeakPolarHBondContact O-CB 3.5Å; N250-R253 PolarHBondContact O-N 2.76Å; N250-Q254 VanDerWaalsContact O-CG 3.29Å; N250-Q254 WeakPolarHBondContact O-CG 3.5Å; N250-Q254 PolarHBondContact O-N 3.12Å; N250-Q254 VanDerWaalsContact O-N 3.1Å |
| 251 | R | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.1 | -51 | 174.4 | 175.6 | -171.8 | 166.3 | -158.2 | -8.8 | 110.9 | D229 A247 L248 Y249 R253 Q254 E255 | D229-R251 VanDerWaalsContact CG-NH1 3.31Å; D229-R251 IonicContact OD1-CZ 3.21Å; D229-R251 IonicContact OD1-NH1 3.18Å; D229-R251 PolarHBondContact OD1-NH1 2.89Å; D229-R251 IonicContact OD1-NH2 3.17Å; D229-R251 PolarHBondContact OD1-NH2 2.93Å; D229-R251 IonicContact OD2-NH1 2.68Å; D229-R251 PolarHBondContact OD2-NH1 3.07Å; A247-R251 WeakPolarHBondContact O-CB 3.34Å; A247-R251 PolarHBondContact O-N 3.14Å; L248-R251 WeakPolarHBondContact O-CB 3.27Å; L248-R251 PolarHBondContact O-N 3.18Å; L248-R251 VanDerWaalsContact O-N 3.14Å; Y249-R251 PolarHBondContact O-N 3.42Å; R251-R253 VanDerWaalsContact C-N 3.27Å; R251-R253 PolarHBondContact O-N 3.27Å; R251-Q254 WeakPolarHBondContact O-CB 3.28Å; R251-Q254 PolarHBondContact O-N 3.48Å; R251-E255 VanDerWaalsContact CG-OE1 3.31Å; R251-E255 WeakPolarHBondContact CG-OE1 3.04Å; R251-E255 IonicContact CZ-OE1 3.21Å; R251-E255 IonicContact NE-OE1 2.82Å; R251-E255 PolarHBondContact NE-OE1 3.36Å; R251-E255 IonicContact NE-OE2 3.18Å; R251-E255 IonicContact NH2-OE1 2.73Å; R251-E255 PolarHBondContact NH2-OE1 3.49Å; R251-E255 IonicContact NH2-OE2 3.41Å; R251-E255 PolarHBondContact O-N 3.49Å |
| 252 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -33.3 | -178.1 | -64 | -171.8 | 0 | 0 | 0 | 112.4 | V224 V228 L236 T242 L248 Y249 E255 N256 M257 F259 | V224-L252 HydrophobicContact CG1-CD1 3.86Å; V228-L252 HydrophobicContact CB-CD2 4.4Å; V228-L252 HydrophobicContact CG1-CD2 3.89Å; V228-L252 HydrophobicContact CG2-CD1 4.37Å; V228-L252 HydrophobicContact CG2-CD2 3.87Å; L236-L252 HydrophobicContact CD1-CD1 3.88Å; T242-L252 HydrophobicContact CG2-CD1 3.82Å; L248-L252 HydrophobicContact CD1-CD1 4.08Å; L248-L252 HydrophobicContact CD1-CD2 4.31Å; L248-L252 HydrophobicContact CD1-CG 4.01Å; L248-L252 HydrophobicContact CG-CD1 4.09Å; L248-L252 HydrophobicContact CG-CG 4.3Å; L248-L252 WeakPolarHBondContact O-CG 3.33Å; L248-L252 PolarHBondContact O-N 3.13Å; Y249-L252 PolarHBondContact O-N 3.43Å; L252-E255 CarbonylContact O-C 3.2Å; L252-E255 PolarHBondContact O-N 3.32Å; L252-N256 PolarHBondContact O-N 3.5Å; L252-N256 VanDerWaalsContact O-N 3.13Å; L252-M257 HydrophobicContact CB-CB 3.81Å; L252-M257 HydrophobicContact CB-CG 4.31Å; L252-M257 HydrophobicContact CD1-CG 4.4Å; L252-M257 HydrophobicContact CD2-CE 4.36Å; L252-M257 WeakPolarHBondContact O-CB 3.44Å; L252-M257 PolarHBondContact O-N 3Å; L252-F259 HydrophobicContact CB-CZ 4.24Å; L252-F259 HydrophobicContact CD1-CZ 4.21Å |
| 253 | R | 98.6 | Very high | 98.8 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 32% | 0.317 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 170.2 | -81.5 | -73.3 | -50.2 | -69.7 | 5.5 | 112.9 | Y249 N250 R251 E255 N256 D286 A288 | Y249-R253 HydrophobicContact CD2-CG 4.06Å; Y249-R253 HydrophobicContact CE1-CG 4.14Å; Y249-R253 HydrophobicContact CE2-CG 3.51Å; Y249-R253 WeakPolarHBondContact O-CB 3.49Å; Y249-R253 WeakPolarHBondContact O-CG 3.41Å; Y249-R253 PolarHBondContact O-N 3.48Å; Y249-R253 PolarHBondContact OH-NH1 3.45Å; N250-R253 WeakPolarHBondContact O-CB 3.5Å; N250-R253 PolarHBondContact O-N 2.76Å; R251-R253 VanDerWaalsContact C-N 3.27Å; R251-R253 PolarHBondContact O-N 3.27Å; R253-E255 VanDerWaalsContact C-N 3.3Å; R253-N256 PolarHBondContact O-N 3.17Å; R253-D286 VanDerWaalsContact CZ-O 3.25Å; R253-D286 VanDerWaalsContact NH1-CB 3.26Å; R253-D286 IonicContact NH1-OD2 2.78Å; R253-D286 PolarHBondContact NH1-OD2 3.16Å; R253-D286 PolarHBondContact NH2-O 3.26Å; R253-A288 VanDerWaalsContact CD-CB 3.48Å |
| 254 | Q | 98.7 | Very high | 98.8 | Very high | 167 Ų | 167 | 48.5 Ų | 48.5 | 78% | 0.78 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -66.3 | -35.1 | 177.5 | -69.8 | 165.2 | 1.1 | 0 | 0 | 111.8 | N250 R251 N256 | N250-Q254 VanDerWaalsContact O-CG 3.29Å; N250-Q254 WeakPolarHBondContact O-CG 3.5Å; N250-Q254 PolarHBondContact O-N 3.12Å; N250-Q254 VanDerWaalsContact O-N 3.1Å; R251-Q254 WeakPolarHBondContact O-CB 3.28Å; R251-Q254 PolarHBondContact O-N 3.48Å; Q254-N256 PolarHBondContact O-N 3.04Å |
| 255 | E | 98.6 | Very high | 98.8 | Very high | 101 Ų | 101 | 42.5 Ų | 42.5 | 47% | 0.472 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1.2 | 175.6 | -65.6 | 173.3 | -169 | 0 | 0 | 113 | R251 L252 R253 M257 | R251-E255 VanDerWaalsContact CG-OE1 3.31Å; R251-E255 WeakPolarHBondContact CG-OE1 3.04Å; R251-E255 IonicContact CZ-OE1 3.21Å; R251-E255 IonicContact NE-OE1 2.82Å; R251-E255 PolarHBondContact NE-OE1 3.36Å; R251-E255 IonicContact NE-OE2 3.18Å; R251-E255 IonicContact NH2-OE1 2.73Å; R251-E255 PolarHBondContact NH2-OE1 3.49Å; R251-E255 IonicContact NH2-OE2 3.41Å; R251-E255 PolarHBondContact O-N 3.49Å; L252-E255 CarbonylContact O-C 3.2Å; L252-E255 PolarHBondContact O-N 3.32Å; R253-E255 VanDerWaalsContact C-N 3.3Å; E255-M257 PolarHBondContact O-N 3.33Å |
| 256 | N | 98.6 | Very high | 98.8 | Very high | 106 Ų | 106 | 40.6 Ų | 40.6 | 57% | 0.567 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 33 | -178.2 | -166.5 | 47 | 0 | 0 | 0 | 114.3 | L252 R253 Q254 H258 N289 | L252-N256 PolarHBondContact O-N 3.5Å; L252-N256 VanDerWaalsContact O-N 3.13Å; R253-N256 PolarHBondContact O-N 3.17Å; Q254-N256 PolarHBondContact O-N 3.04Å; N256-H258 PolarHBondContact O-N 2.95Å; N256-N289 PolarHBondContact O-ND2 2.97Å; N256-N289 WeakPolarHBondContact OD1-CB 3.37Å |
| 257 | M | 98.9 | Very high | 98.8 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 6% | 0.064 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -51.2 | 131.9 | 175.5 | 177.6 | 56.4 | 64.8 | 0 | 0 | 110.9 | V228 T233 L236 L252 E255 F259 | V228-M257 HydrophobicContact CG2-CE 3.87Å; T233-M257 HydrophobicContact CG2-CE 4.26Å; L236-M257 HydrophobicContact CD1-CG 3.82Å; L236-M257 HydrophobicContact CD1-SD 4.17Å; L236-M257 HydrophobicContact CG-CG 4.28Å; L236-M257 HydrophobicContact CG-SD 4Å; L252-M257 HydrophobicContact CB-CB 3.81Å; L252-M257 HydrophobicContact CB-CG 4.31Å; L252-M257 HydrophobicContact CD1-CG 4.4Å; L252-M257 HydrophobicContact CD2-CE 4.36Å; L252-M257 WeakPolarHBondContact O-CB 3.44Å; L252-M257 PolarHBondContact O-N 3Å; E255-M257 PolarHBondContact O-N 3.33Å; M257-F259 HydrophobicContact CB-CE2 4.25Å; M257-F259 HydrophobicContact CB-CZ 4.49Å; M257-F259 HydrophobicContact CG-CE2 4.14Å; M257-F259 HydrophobicContact CG-CZ 4.11Å |
| 258 | H | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.1 | 175.6 | -169.9 | 86.7 | 0 | 0 | 0 | 110.9 | R235 L236 N256 N289 S291 S332 | R235-H258 WeakPolarHBondContact CA-O 3.36Å; R235-H258 HydrophobicContact CB-CB 4.27Å; R235-H258 HydrophobicContact CG-CB 3.93Å; L236-H258 PolarHBondContact N-O 3.05Å; N256-H258 PolarHBondContact O-N 2.95Å; H258-N289 WeakPolarHBondContact CA-O 3.42Å; H258-N289 PolarHBondContact ND1-OD1 2.97Å; H258-S291 PolarHBondContact CE1-N 3.16Å; H258-S291 WeakPolarHBondContact NE2-CB 3.41Å; H258-S291 PolarHBondContact NE2-N 2.83Å; H258-S291 PolarHBondContact NE2-OG 2.82Å; H258-S332 VanDerWaalsContact CG-CB 3.48Å; H258-S332 WeakPolarHBondContact ND1-CB 3.39Å; H258-S332 PolarHBondContact ND1-OG 3.26Å |
| 259 | F | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.8 | 174 | -60.5 | -94.1 | 0 | 0 | 0 | 110.6 | L236 T242 L252 M257 I261 L283 N289 Y290 S291 | L236-F259 HydrophobicContact CB-CD1 4.31Å; L236-F259 HydrophobicContact CD1-CD1 4.1Å; L236-F259 HydrophobicContact CD1-CE1 3.64Å; L236-F259 HydrophobicContact CD1-CZ 4.32Å; T242-F259 HydrophobicContact CG2-CE1 4.07Å; T242-F259 HydrophobicContact CG2-CZ 4.16Å; L252-F259 HydrophobicContact CB-CZ 4.24Å; L252-F259 HydrophobicContact CD1-CZ 4.21Å; M257-F259 HydrophobicContact CB-CE2 4.25Å; M257-F259 HydrophobicContact CB-CZ 4.49Å; M257-F259 HydrophobicContact CG-CE2 4.14Å; M257-F259 HydrophobicContact CG-CZ 4.11Å; F259-I261 HydrophobicContact CB-CD1 3.85Å; F259-I261 HydrophobicContact CB-CG1 4.17Å; F259-I261 PolarHBondContact O-N 2.96Å; F259-L283 HydrophobicContact CB-CD1 4.04Å; F259-L283 HydrophobicContact CD2-CD1 4.46Å; F259-L283 HydrophobicContact CD2-CD2 4.26Å; F259-L283 HydrophobicContact CE2-CD2 4.42Å; F259-L283 HydrophobicContact CG-CD1 4.21Å; F259-N289 PolarHBondContact N-O 3.19Å; F259-Y290 CarbonylContact O-C 3.45Å; F259-Y290 WeakPolarHBondContact O-CA 3.06Å; F259-Y290 VanDerWaalsContact O-CB 3.24Å; F259-Y290 WeakPolarHBondContact O-CB 3.42Å; F259-S291 PolarHBondContact O-N 3.3Å |
| 260 | E | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 86.4 | 177.3 | -58.7 | 170.4 | 177.1 | 0 | 0 | 109.1 | H15 R101 T212 R235 L236 H238 | H15-E260 HydrophobicContact CB-CB 3.8Å; H15-E260 HydrophobicContact CB-CG 4.4Å; H15-E260 IonicContact CE1-OE2 2.76Å; H15-E260 IonicContact CG-OE2 3.38Å; H15-E260 IonicContact ND1-OE2 3.38Å; H15-E260 PolarHBondContact ND1-OE2 3.05Å; R101-E260 IonicContact CZ-OE2 3.27Å; R101-E260 IonicContact NH1-OE2 3.48Å; R101-E260 PolarHBondContact NH1-OE2 3.33Å; R101-E260 IonicContact NH2-OE1 3.76Å; R101-E260 PolarHBondContact NH2-OE1 3.04Å; R101-E260 IonicContact NH2-OE2 2.88Å; R101-E260 PolarHBondContact NH2-OE2 2.99Å; T212-E260 PolarHBondContact OG1-OE1 3.13Å; T212-E260 PolarHBondContact OG1-OE2 3.05Å; R235-E260 HydrophobicContact CB-CG 4.35Å; R235-E260 IonicContact CZ-OE1 3.77Å; R235-E260 IonicContact NE-OE1 4Å; R235-E260 PolarHBondContact NE-OE1 2.9Å; R235-E260 IonicContact NH2-OE1 3.82Å; R235-E260 PolarHBondContact NH2-OE1 3.23Å; L236-E260 WeakPolarHBondContact O-CB 3.5Å; L236-E260 PolarHBondContact O-N 3.45Å; H238-E260 WeakPolarHBondContact CA-O 3.48Å; H238-E260 PolarHBondContact N-O 2.99Å |
| 261 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 134.7 | -171 | -56.3 | -64.7 | 0 | 0 | 0 | 110.5 | H238 Y240 F259 P263 V280 L283 Y290 S291 L292 N293 | H238-I261 WeakPolarHBondContact O-CD1 3.36Å; Y240-I261 HydrophobicContact CD1-CD1 3.95Å; Y240-I261 HydrophobicContact CE1-CD1 3.72Å; Y240-I261 HydrophobicContact CE1-CG2 4.04Å; F259-I261 HydrophobicContact CB-CD1 3.85Å; F259-I261 HydrophobicContact CB-CG1 4.17Å; F259-I261 PolarHBondContact O-N 2.96Å; I261-P263 HydrophobicContact CG2-CG 3.94Å; I261-V280 HydrophobicContact CB-CG2 4.37Å; I261-V280 HydrophobicContact CG1-CG2 4.19Å; I261-V280 HydrophobicContact CG2-CB 3.93Å; I261-V280 HydrophobicContact CG2-CG2 3.83Å; I261-L283 HydrophobicContact CD1-CD1 3.56Å; I261-L283 HydrophobicContact CG1-CD1 3.86Å; I261-Y290 HydrophobicContact CG1-CD2 4.14Å; I261-Y290 HydrophobicContact CG1-CG 4.43Å; I261-S291 VanDerWaalsContact CB-O 3.26Å; I261-S291 WeakPolarHBondContact CB-O 3.45Å; I261-S291 PolarHBondContact N-O 3.42Å; I261-S291 VanDerWaalsContact N-O 3.15Å; I261-L292 HydrophobicContact CB-CD2 4.48Å; I261-L292 HydrophobicContact CG2-CD2 4.34Å; I261-L292 CarbonylContact O-C 3.56Å; I261-L292 WeakPolarHBondContact O-CA 3.37Å; I261-N293 PolarHBondContact N-ND2 3.48Å; I261-N293 PolarHBondContact O-N 3.16Å; I261-N293 PolarHBondContact O-ND2 2.94Å |
| 262 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -124.7 | 79.3 | 178.4 | -49 | 0 | 0 | 0 | 0 | 109.8 | Y240 W264 S265 S266 N293 D295 | Y240-C262 WeakPolarHBondContact OH-CA 3.34Å; Y240-C262 PolarHBondContact OH-N 3.07Å; Y240-C262 PolarHBondContact OH-O 3.21Å; Y240-C262 VanDerWaalsContact OH-O 3.07Å; C262-W264 PolarHBondContact O-N 3.43Å; C262-S265 PolarHBondContact O-N 2.97Å; C262-S266 PolarHBondContact O-N 2.7Å; C262-N293 WeakPolarHBondContact CA-O 3.48Å; C262-D295 HydrophobicContact CB-CB 3.9Å | ||
| 263 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.8 | -48.6 | -168 | -25.2 | 33.5 | 0 | 0 | 0 | 114.8 | I261 S266 Y267 L292 D307 M310 T311 | I261-P263 HydrophobicContact CG2-CG 3.94Å; P263-S266 PolarHBondContact O-N 3.12Å; P263-S266 PolarHBondContact O-OG 3.18Å; P263-Y267 PolarHBondContact O-N 3.26Å; P263-L292 HydrophobicContact CG-CD2 3.76Å; P263-D307 VanDerWaalsContact CD-OD1 3.27Å; P263-D307 WeakPolarHBondContact CD-OD1 3.49Å; P263-D307 HydrophobicContact CG-CB 4.24Å; P263-M310 HydrophobicContact CB-CE 3.14Å; P263-M310 VanDerWaalsContact O-CE 3.31Å; P263-M310 WeakPolarHBondContact O-CE 3.38Å; P263-T311 HydrophobicContact CB-CG2 4.2Å; P263-T311 HydrophobicContact CG-CG2 3.85Å |
| 264 | W | 98.9 | Very high | 98.6 | Very high | 57 Ų | 57 | 36 Ų | 36 | 22% | 0.216 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.8 | -35.5 | -177.7 | -178.6 | -115.6 | 0 | 0 | 0 | 111.9 | C262 Y267 L268 F300 T306 D307 M310 | C262-W264 PolarHBondContact O-N 3.43Å; W264-Y267 AromaticContact CE3-CD1 3.88Å; W264-Y267 HydrophobicContact CE3-CD1 3.88Å; W264-Y267 AromaticContact CH2-CD1 3.7Å; W264-Y267 HydrophobicContact CH2-CD1 3.7Å; W264-Y267 AromaticContact CH2-CE1 3.71Å; W264-Y267 HydrophobicContact CH2-CE1 3.71Å; W264-Y267 HydrophobicContact CZ2-CD1 4.39Å; W264-Y267 AromaticContact CZ3-CD1 3.41Å; W264-Y267 HydrophobicContact CZ3-CD1 3.41Å; W264-Y267 VanDerWaalsContact CZ3-CD1 3.41Å; W264-Y267 AromaticContact CZ3-CE1 3.76Å; W264-Y267 HydrophobicContact CZ3-CE1 3.76Å; W264-Y267 HydrophobicContact CZ3-CG 4.27Å; W264-Y267 WeakPolarHBondContact O-CB 3.38Å; W264-Y267 PolarHBondContact O-N 3.2Å; W264-L268 HydrophobicContact CD2-CD1 4.44Å; W264-L268 HydrophobicContact CZ2-CD1 3.94Å; W264-L268 HydrophobicContact CZ2-CD2 4.16Å; W264-L268 HydrophobicContact CZ2-CG 4.16Å; W264-L268 VanDerWaalsContact NE1-CD1 3.33Å; W264-L268 PolarHBondContact O-N 3.32Å; W264-F300 PolarHBondContact NE1-O 3.22Å; W264-T306 HydrophobicContact CB-CG2 4.02Å; W264-T306 HydrophobicContact CD2-CG2 3.94Å; W264-T306 HydrophobicContact CG-CG2 3.65Å; W264-D307 VanDerWaalsContact CB-OD1 3.26Å; W264-D307 WeakPolarHBondContact CB-OD1 3.37Å; W264-D307 PolarHBondContact N-OD1 2.93Å; W264-M310 HydrophobicContact CB-CE 4.45Å; W264-M310 HydrophobicContact CE3-SD 3.97Å |
| 265 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.9 | -49.9 | 170.3 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | C262 Y267 L268 T269 D295 F300 | C262-S265 PolarHBondContact O-N 2.97Å; S265-Y267 PolarHBondContact O-N 3.39Å; S265-Y267 VanDerWaalsContact O-N 3.15Å; S265-L268 PolarHBondContact O-N 3.44Å; S265-T269 PolarHBondContact O-N 3.12Å; S265-T269 PolarHBondContact O-OG1 3.1Å; S265-D295 VanDerWaalsContact CB-OD2 3.31Å; S265-D295 WeakPolarHBondContact CB-OD2 3.48Å; S265-D295 PolarHBondContact OG-OD2 2.85Å; S265-F300 VanDerWaalsContact OG-CE2 3.27Å; S265-F300 WeakPolarHBondContact OG-CE2 3.3Å; S265-F300 WeakPolarHBondContact OG-CZ 3.47Å |
| 266 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.6 | -33 | -175.9 | 78.7 | 0 | 0 | 0 | 0 | 113.1 | C262 P263 G270 A271 W272 H278 | C262-S266 PolarHBondContact O-N 2.7Å; P263-S266 PolarHBondContact O-N 3.12Å; P263-S266 PolarHBondContact O-OG 3.18Å; S266-G270 CarbonylContact O-C 3.57Å; S266-G270 PolarHBondContact O-N 3.15Å; S266-A271 PolarHBondContact O-N 3.13Å; S266-W272 PolarHBondContact O-N 3.23Å; S266-W272 WeakPolarHBondContact OG-CB 3.46Å; S266-H278 PolarHBondContact OG-CD2 2.75Å; S266-H278 PolarHBondContact OG-NE2 2.97Å |
| 267 | Y | 98.9 | Very high | 98.5 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 21% | 0.212 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -49.6 | 171.3 | 171.6 | -110.4 | 0 | 0 | 0 | 111.6 | P55 P263 W264 S265 G270 W272 P274 | P55-Y267 VanDerWaalsContact CB-O 3.3Å; P55-Y267 WeakPolarHBondContact CB-O 3.44Å; P55-Y267 WeakPolarHBondContact CD-OH 3.44Å; P55-Y267 HydrophobicContact CG-CD1 4.49Å; P55-Y267 HydrophobicContact CG-CD2 3.96Å; P55-Y267 HydrophobicContact CG-CE1 4.07Å; P55-Y267 HydrophobicContact CG-CE2 3.49Å; P55-Y267 VanDerWaalsContact CG-CE2 3.49Å; P55-Y267 HydrophobicContact CG-CG 4.44Å; P55-Y267 WeakPolarHBondContact CG-O 3.31Å; P263-Y267 PolarHBondContact O-N 3.26Å; W264-Y267 AromaticContact CE3-CD1 3.88Å; W264-Y267 HydrophobicContact CE3-CD1 3.88Å; W264-Y267 AromaticContact CH2-CD1 3.7Å; W264-Y267 HydrophobicContact CH2-CD1 3.7Å; W264-Y267 AromaticContact CH2-CE1 3.71Å; W264-Y267 HydrophobicContact CH2-CE1 3.71Å; W264-Y267 HydrophobicContact CZ2-CD1 4.39Å; W264-Y267 AromaticContact CZ3-CD1 3.41Å; W264-Y267 HydrophobicContact CZ3-CD1 3.41Å; W264-Y267 VanDerWaalsContact CZ3-CD1 3.41Å; W264-Y267 AromaticContact CZ3-CE1 3.76Å; W264-Y267 HydrophobicContact CZ3-CE1 3.76Å; W264-Y267 HydrophobicContact CZ3-CG 4.27Å; W264-Y267 WeakPolarHBondContact O-CB 3.38Å; W264-Y267 PolarHBondContact O-N 3.2Å; S265-Y267 PolarHBondContact O-N 3.39Å; S265-Y267 VanDerWaalsContact O-N 3.15Å; Y267-G270 PolarHBondContact O-N 3.48Å; Y267-W272 HydrophobicContact CD2-CE3 4.43Å; Y267-W272 HydrophobicContact CD2-CZ3 4.25Å; Y267-P274 HydrophobicContact CD2-CB 4.29Å; Y267-P274 HydrophobicContact CD2-CG 4.41Å; Y267-P274 HydrophobicContact CE2-CB 4.16Å; Y267-P274 HydrophobicContact CE2-CG 4.03Å |
| 268 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.5 | -32.3 | -173.1 | -70.8 | -178.6 | 0 | 0 | 0 | 113.9 | M52 P55 L56 W264 S265 G270 F300 | M52-L268 HydrophobicContact CB-CD1 4.3Å; M52-L268 HydrophobicContact CB-CD2 4.49Å; M52-L268 HydrophobicContact CE-CB 4.34Å; M52-L268 WeakPolarHBondContact CE-O 3.49Å; M52-L268 WeakPolarHBondContact O-CD1 3.29Å; P55-L268 WeakPolarHBondContact CA-O 3.28Å; L56-L268 PolarHBondContact N-O 3.33Å; W264-L268 HydrophobicContact CD2-CD1 4.44Å; W264-L268 HydrophobicContact CZ2-CD1 3.94Å; W264-L268 HydrophobicContact CZ2-CD2 4.16Å; W264-L268 HydrophobicContact CZ2-CG 4.16Å; W264-L268 VanDerWaalsContact NE1-CD1 3.33Å; W264-L268 PolarHBondContact O-N 3.32Å; S265-L268 PolarHBondContact O-N 3.44Å; L268-G270 PolarHBondContact O-N 2.98Å; L268-F300 HydrophobicContact CB-CD1 3.79Å; L268-F300 HydrophobicContact CB-CE1 3.88Å; L268-F300 HydrophobicContact CD1-CB 3.75Å; L268-F300 HydrophobicContact CD1-CD1 3.43Å; L268-F300 VanDerWaalsContact CD1-CD1 3.43Å; L268-F300 HydrophobicContact CD1-CE1 4.36Å; L268-F300 HydrophobicContact CD1-CG 3.91Å; L268-F300 HydrophobicContact CG-CD1 4.26Å |
| 269 | T | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -78.5 | -11.9 | 173.1 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | T57 L58 F61 E217 S265 A271 F300 | T57-T269 CarbonylContact C-O 3.28Å; T57-T269 WeakPolarHBondContact CA-O 3.33Å; L58-T269 PolarHBondContact N-O 2.98Å; F61-T269 HydrophobicContact CB-CG2 4.3Å; F61-T269 HydrophobicContact CD1-CG2 4.19Å; F61-T269 HydrophobicContact CD2-CG2 4.49Å; F61-T269 HydrophobicContact CG-CG2 4.05Å; E217-T269 PolarHBondContact OE1-OG1 3.23Å; S265-T269 PolarHBondContact O-N 3.12Å; S265-T269 PolarHBondContact O-OG1 3.1Å; T269-A271 PolarHBondContact O-N 3.47Å; T269-A271 WeakPolarHBondContact OG1-CB 3.35Å; T269-A271 PolarHBondContact OG1-N 3.02Å; T269-F300 HydrophobicContact CG2-CE1 4.08Å; T269-F300 HydrophobicContact CG2-CZ 3.75Å |
| 270 | G | 98.3 | Very high | 98.5 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 9.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S266 Y267 L268 W272 K273 | S266-G270 CarbonylContact O-C 3.57Å; S266-G270 PolarHBondContact O-N 3.15Å; Y267-G270 PolarHBondContact O-N 3.48Å; L268-G270 PolarHBondContact O-N 2.98Å; G270-W272 PolarHBondContact O-N 3.26Å; G270-K273 WeakPolarHBondContact O-CE 3.45Å; G270-K273 PolarHBondContact O-NZ 3.44Å |
| 271 | A | 98.5 | Very high | 98.5 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -57 | -36.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E217 V218 Y240 H241 S266 T269 | E217-A271 HydrophobicContact CG-CB 3.83Å; E217-A271 WeakPolarHBondContact O-CB 3.12Å; V218-A271 HydrophobicContact CG1-CB 4.04Å; Y240-A271 HydrophobicContact CD2-CB 4.05Å; Y240-A271 HydrophobicContact CE2-CB 4.04Å; H241-A271 PolarHBondContact CE1-O 2.91Å; S266-A271 PolarHBondContact O-N 3.13Å; T269-A271 PolarHBondContact O-N 3.47Å; T269-A271 WeakPolarHBondContact OG1-CB 3.35Å; T269-A271 PolarHBondContact OG1-N 3.02Å |
| 272 | W | 98.7 | Very high | 98.5 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 15% | 0.148 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -113.9 | 137.8 | 169.6 | 169 | 62.4 | 0 | 0 | 0 | 110.6 | S266 Y267 G270 P274 T276 H278 M315 | S266-W272 PolarHBondContact O-N 3.23Å; S266-W272 WeakPolarHBondContact OG-CB 3.46Å; Y267-W272 HydrophobicContact CD2-CE3 4.43Å; Y267-W272 HydrophobicContact CD2-CZ3 4.25Å; G270-W272 PolarHBondContact O-N 3.26Å; W272-P274 HydrophobicContact CH2-CB 4.19Å; W272-P274 HydrophobicContact CZ2-CB 4.46Å; W272-P274 HydrophobicContact CZ3-CB 4.45Å; W272-T276 WeakPolarHBondContact CZ2-O 3.13Å; W272-T276 PolarHBondContact NE1-O 3.22Å; W272-T276 PolarHBondContact NE1-OG1 3.22Å; W272-H278 HydrophobicContact CD2-CB 4.26Å; W272-H278 AromaticContact CD2-CD2 3.47Å; W272-H278 VanDerWaalsContact CD2-CD2 3.47Å; W272-H278 AromaticContact CE2-CD2 3.97Å; W272-H278 AromaticContact CE3-CD2 3.73Å; W272-H278 AromaticContact CG-CD2 3.55Å; W272-H278 HydrophobicContact CZ2-CB 4.1Å; W272-M315 HydrophobicContact CH2-CE 4.49Å |
| 273 | K | 97.9 | Very high | 98.4 | Very high | 112 Ų | 112 | 41 Ų | 41 | 49% | 0.487 | 20% | 0.204 | S | C | . | . | trans | -98.2 | 126.6 | 174.4 | -53 | -53.5 | -174 | -161.7 | 0 | 109.7 | G270 D275 T276 | G270-K273 WeakPolarHBondContact O-CE 3.45Å; G270-K273 PolarHBondContact O-NZ 3.44Å; K273-D275 WeakPolarHBondContact CB-OD1 3.32Å; K273-D275 PolarHBondContact O-N 2.81Å; K273-D275 VanDerWaalsContact O-N 3.09Å; K273-T276 HydrophobicContact CB-CG2 4.47Å; K273-T276 PolarHBondContact O-N 2.9Å; K273-T276 PolarHBondContact O-OG1 3.03Å | ||
| 274 | P | 95.9 | Very high | 98.4 | Very high | 80 Ų | 80 | 42.8 Ų | 42.8 | 52% | 0.519 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -10.7 | -169.8 | 30.1 | -38.9 | 0 | 0 | 0 | 114.8 | Y267 W272 T276 | Y267-P274 HydrophobicContact CD2-CB 4.29Å; Y267-P274 HydrophobicContact CD2-CG 4.41Å; Y267-P274 HydrophobicContact CE2-CB 4.16Å; Y267-P274 HydrophobicContact CE2-CG 4.03Å; W272-P274 HydrophobicContact CH2-CB 4.19Å; W272-P274 HydrophobicContact CZ2-CB 4.46Å; W272-P274 HydrophobicContact CZ3-CB 4.45Å; P274-T276 VanDerWaalsContact C-N 3.28Å |
| 275 | D | 96.7 | Very high | 98.4 | Very high | 141 Ų | 141 | 44.8 Ų | 44.8 | 75% | 0.754 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 0.1 | 171.8 | 62.7 | -36.9 | 0 | 0 | 0 | 113.3 | K273 | K273-D275 WeakPolarHBondContact CB-OD1 3.32Å; K273-D275 PolarHBondContact O-N 2.81Å; K273-D275 VanDerWaalsContact O-N 3.09Å |
| 276 | T | 98.1 | Very high | 98.4 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 44% | 0.442 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -114.4 | 155 | 173.5 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | W272 K273 P274 H278 | W272-T276 WeakPolarHBondContact CZ2-O 3.13Å; W272-T276 PolarHBondContact NE1-O 3.22Å; W272-T276 PolarHBondContact NE1-OG1 3.22Å; K273-T276 HydrophobicContact CB-CG2 4.47Å; K273-T276 PolarHBondContact O-N 2.9Å; K273-T276 PolarHBondContact O-OG1 3.03Å; P274-T276 VanDerWaalsContact C-N 3.28Å; T276-H278 PolarHBondContact O-N 2.94Å |
| 277 | E | 98.4 | Very high | 98.4 | Very high | 152 Ų | 152 | 51.9 Ų | 51.9 | 71% | 0.71 | 26% | 0.262 | S | S | * | . | trans | -69 | 130.7 | 172.4 | -71.2 | -72.2 | 122.2 | 0 | 0 | 110.5 | I281 | E277-I281 WeakPolarHBondContact OE2-CD1 3.12Š| ||
| 278 | H | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | trans | -64.9 | 139.3 | -179.5 | -169.1 | -80.4 | 0 | 0 | 0 | 111.4 | S266 W272 T276 V280 I281 M315 | S266-H278 PolarHBondContact OG-CD2 2.75Å; S266-H278 PolarHBondContact OG-NE2 2.97Å; W272-H278 HydrophobicContact CD2-CB 4.26Å; W272-H278 AromaticContact CD2-CD2 3.47Å; W272-H278 VanDerWaalsContact CD2-CD2 3.47Å; W272-H278 AromaticContact CE2-CD2 3.97Å; W272-H278 AromaticContact CE3-CD2 3.73Å; W272-H278 AromaticContact CG-CD2 3.55Å; W272-H278 HydrophobicContact CZ2-CB 4.1Å; T276-H278 PolarHBondContact O-N 2.94Å; H278-V280 HydrophobicContact CB-CG1 4.43Å; H278-V280 WeakPolarHBondContact ND1-CB 3.4Å; H278-V280 WeakPolarHBondContact ND1-CG1 3.41Å; H278-V280 PolarHBondContact ND1-N 2.98Å; H278-V280 VanDerWaalsContact ND1-N 3.13Å; H278-V280 PolarHBondContact O-N 2.88Å; H278-I281 WeakPolarHBondContact O-CB 3.44Å; H278-I281 PolarHBondContact O-N 3.44Å; H278-M315 HydrophobicContact CB-CE 3.67Å; H278-M315 HydrophobicContact CB-SD 4.02Å | ||
| 279 | A | 98.8 | Very high | 98.4 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 12% | 0.124 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.3 | -35 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y240 L243 I281 R282 L283 | Y240-A279 HydrophobicContact CD1-CB 4.26Å; L243-A279 HydrophobicContact CD1-CB 3.58Å; L243-A279 HydrophobicContact CG-CB 4.43Å; A279-I281 PolarHBondContact O-N 2.92Å; A279-R282 WeakPolarHBondContact O-CB 3.37Å; A279-R282 PolarHBondContact O-N 3.38Å; A279-L283 PolarHBondContact O-N 3.08Å |
| 280 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.6 | -26.5 | 178 | 82.9 | 0 | 0 | 0 | 0 | 113.8 | I261 H278 R282 L283 K284 Y290 L292 T311 M315 F317 | I261-V280 HydrophobicContact CB-CG2 4.37Å; I261-V280 HydrophobicContact CG1-CG2 4.19Å; I261-V280 HydrophobicContact CG2-CB 3.93Å; I261-V280 HydrophobicContact CG2-CG2 3.83Å; H278-V280 HydrophobicContact CB-CG1 4.43Å; H278-V280 WeakPolarHBondContact ND1-CB 3.4Å; H278-V280 WeakPolarHBondContact ND1-CG1 3.41Å; H278-V280 PolarHBondContact ND1-N 2.98Å; H278-V280 VanDerWaalsContact ND1-N 3.13Å; H278-V280 PolarHBondContact O-N 2.88Å; V280-R282 VanDerWaalsContact C-N 3.32Å; V280-R282 PolarHBondContact O-N 3.37Å; V280-L283 PolarHBondContact O-N 3.26Å; V280-K284 WeakPolarHBondContact O-CB 3.49Å; V280-K284 PolarHBondContact O-N 2.93Å; V280-Y290 HydrophobicContact CG2-CD2 3.82Å; V280-Y290 HydrophobicContact CG2-CE2 3.5Å; V280-Y290 VanDerWaalsContact CG2-CE2 3.5Å; V280-L292 HydrophobicContact CG2-CD2 4.29Å; V280-T311 HydrophobicContact CG1-CG2 4.45Å; V280-M315 HydrophobicContact CG1-SD 3.56Å; V280-M315 VanDerWaalsContact CG1-SD 3.56Å; V280-F317 HydrophobicContact CG1-CE2 4.16Å; V280-F317 HydrophobicContact CG1-CZ 4.08Å; V280-F317 HydrophobicContact CG2-CZ 3.83Å |
| 281 | I | 98.9 | Very high | 98.5 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.128 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.9 | -66.1 | 174 | 0 | 0 | 0 | 109.7 | E277 H278 A279 K284 N285 M315 | E277-I281 WeakPolarHBondContact OE2-CD1 3.12Å; H278-I281 WeakPolarHBondContact O-CB 3.44Å; H278-I281 PolarHBondContact O-N 3.44Å; A279-I281 PolarHBondContact O-N 2.92Å; I281-K284 PolarHBondContact O-N 3.35Å; I281-N285 WeakPolarHBondContact O-CB 3.39Å; I281-N285 PolarHBondContact O-N 2.85Å; I281-N285 PolarHBondContact O-ND2 3.04Å; I281-N285 PolarHBondContact O-OD1 3.36Å; I281-M315 HydrophobicContact CD1-CB 3.96Å; I281-M315 HydrophobicContact CD1-CG 3.94Å; I281-M315 HydrophobicContact CD1-SD 4.37Å; I281-M315 HydrophobicContact CG1-CB 3.85Å; I281-M315 HydrophobicContact CG1-CG 4.12Å; I281-M315 HydrophobicContact CG1-SD 4.16Å |
| 282 | R | 98.9 | Very high | 98.5 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 32% | 0.317 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -48.7 | 173.3 | -179 | 61.8 | -178.9 | -76.9 | -3.7 | 110.4 | L243 Y249 A279 V280 K284 N285 D286 | L243-R282 HydrophobicContact CD1-CB 3.83Å; L243-R282 HydrophobicContact CD1-CG 4.13Å; L243-R282 HydrophobicContact CD2-CG 4.09Å; Y249-R282 HydrophobicContact CE1-CG 4.43Å; A279-R282 WeakPolarHBondContact O-CB 3.37Å; A279-R282 PolarHBondContact O-N 3.38Å; V280-R282 VanDerWaalsContact C-N 3.32Å; V280-R282 PolarHBondContact O-N 3.37Å; R282-K284 VanDerWaalsContact C-N 3.31Å; R282-K284 PolarHBondContact O-N 3.47Å; R282-N285 PolarHBondContact O-N 3.33Å; R282-D286 IonicContact CZ-OD2 3.04Å; R282-D286 VanDerWaalsContact NE-CG 3.35Å; R282-D286 IonicContact NE-OD1 3.98Å; R282-D286 PolarHBondContact NE-OD1 3.47Å; R282-D286 IonicContact NE-OD2 2.7Å; R282-D286 PolarHBondContact NE-OD2 2.76Å; R282-D286 IonicContact NH2-OD2 3.75Å; R282-D286 WeakPolarHBondContact O-CB 3.23Å; R282-D286 PolarHBondContact O-N 3.42Å |
| 283 | L | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.7 | -41.8 | 179.2 | -60.4 | -178.9 | 0 | 0 | 0 | 112.6 | Y249 F259 I261 A279 V280 Q287 A288 Y290 | Y249-L283 HydrophobicContact CE2-CD2 3.68Å; F259-L283 HydrophobicContact CB-CD1 4.04Å; F259-L283 HydrophobicContact CD2-CD1 4.46Å; F259-L283 HydrophobicContact CD2-CD2 4.26Å; F259-L283 HydrophobicContact CE2-CD2 4.42Å; F259-L283 HydrophobicContact CG-CD1 4.21Å; I261-L283 HydrophobicContact CD1-CD1 3.56Å; I261-L283 HydrophobicContact CG1-CD1 3.86Å; A279-L283 PolarHBondContact O-N 3.08Å; V280-L283 PolarHBondContact O-N 3.26Å; L283-Q287 PolarHBondContact O-N 2.96Å; L283-Q287 VanDerWaalsContact O-N 3.12Å; L283-A288 HydrophobicContact CB-CB 3.98Å; L283-A288 HydrophobicContact CD2-CB 3.82Å; L283-A288 HydrophobicContact CG-CB 4.49Å; L283-A288 WeakPolarHBondContact O-CB 3.24Å; L283-A288 PolarHBondContact O-N 3.19Å; L283-Y290 HydrophobicContact CB-CD1 3.79Å; L283-Y290 HydrophobicContact CB-CE1 4.06Å; L283-Y290 HydrophobicContact CB-CG 4.34Å; L283-Y290 HydrophobicContact CD1-CG 4.35Å |
| 284 | K | 98.8 | Very high | 98.6 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -55.2 | 173.4 | 174.3 | -179.9 | 67.9 | 68.2 | 0 | 111.7 | V280 I281 R282 D286 Q287 F317 E321 | V280-K284 WeakPolarHBondContact O-CB 3.49Å; V280-K284 PolarHBondContact O-N 2.93Å; I281-K284 PolarHBondContact O-N 3.35Å; R282-K284 VanDerWaalsContact C-N 3.31Å; R282-K284 PolarHBondContact O-N 3.47Å; K284-D286 PolarHBondContact O-N 2.91Å; K284-Q287 PolarHBondContact O-N 2.82Å; K284-Q287 PolarHBondContact O-NE2 3.15Å; K284-F317 HydrophobicContact CB-CE2 4.24Å; K284-F317 HydrophobicContact CB-CZ 4.06Å; K284-F317 HydrophobicContact CD-CD2 3.71Å; K284-F317 HydrophobicContact CD-CE1 4.49Å; K284-F317 HydrophobicContact CD-CE2 3.63Å; K284-F317 HydrophobicContact CD-CG 4.17Å; K284-F317 HydrophobicContact CD-CZ 4.03Å; K284-F317 HydrophobicContact CG-CE2 4.47Å; K284-F317 HydrophobicContact CG-CZ 4.48Å; K284-E321 HydrophobicContact CD-CG 4.05Å; K284-E321 HydrophobicContact CG-CG 3.9Å |
| 285 | N | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 37.8 Ų | 37.8 | 54% | 0.535 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.9 | -34.9 | -175.4 | -68.6 | -13.8 | 0 | 0 | 0 | 111.7 | I281 R282 Q287 | I281-N285 WeakPolarHBondContact O-CB 3.39Å; I281-N285 PolarHBondContact O-N 2.85Å; I281-N285 PolarHBondContact O-ND2 3.04Å; I281-N285 PolarHBondContact O-OD1 3.36Å; R282-N285 PolarHBondContact O-N 3.33Å; N285-Q287 VanDerWaalsContact C-N 3.29Å |
| 286 | D | 98.8 | Very high | 98.8 | Very high | 43 Ų | 43 | 31.2 Ų | 31.2 | 23% | 0.23 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -3.9 | 179.3 | -83.7 | 17.7 | 0 | 0 | 0 | 113.7 | Y249 R253 R282 K284 A288 | Y249-D286 WeakPolarHBondContact CE1-OD2 3.49Å; Y249-D286 VanDerWaalsContact CZ-OD2 3.3Å; Y249-D286 VanDerWaalsContact OH-CB 3.24Å; Y249-D286 WeakPolarHBondContact OH-CB 3.24Å; Y249-D286 VanDerWaalsContact OH-CG 3.29Å; Y249-D286 PolarHBondContact OH-OD2 3.47Å; R253-D286 VanDerWaalsContact CZ-O 3.25Å; R253-D286 VanDerWaalsContact NH1-CB 3.26Å; R253-D286 IonicContact NH1-OD2 2.78Å; R253-D286 PolarHBondContact NH1-OD2 3.16Å; R253-D286 PolarHBondContact NH2-O 3.26Å; R282-D286 IonicContact CZ-OD2 3.04Å; R282-D286 VanDerWaalsContact NE-CG 3.35Å; R282-D286 IonicContact NE-OD1 3.98Å; R282-D286 PolarHBondContact NE-OD1 3.47Å; R282-D286 IonicContact NE-OD2 2.7Å; R282-D286 PolarHBondContact NE-OD2 2.76Å; R282-D286 IonicContact NH2-OD2 3.75Å; R282-D286 WeakPolarHBondContact O-CB 3.23Å; R282-D286 PolarHBondContact O-N 3.42Å; K284-D286 PolarHBondContact O-N 2.91Å; D286-A288 PolarHBondContact O-N 2.88Å |
| 287 | Q | 98.7 | Very high | 98.9 | Very high | 105 Ų | 105 | 28.5 Ų | 28.5 | 49% | 0.491 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 36.3 | -175.4 | -62.8 | -71.4 | -72.2 | 0 | 0 | 112.9 | L283 K284 N285 E321 R324 | L283-Q287 PolarHBondContact O-N 2.96Å; L283-Q287 VanDerWaalsContact O-N 3.12Å; K284-Q287 PolarHBondContact O-N 2.82Å; K284-Q287 PolarHBondContact O-NE2 3.15Å; N285-Q287 VanDerWaalsContact C-N 3.29Å; Q287-E321 PolarHBondContact NE2-OE2 2.86Å; Q287-R324 PolarHBondContact O-NH1 3.04Å; Q287-R324 VanDerWaalsContact O-NH1 3.12Å |
| 288 | A | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | trans | -64.7 | 168.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R253 L283 D286 R324 | R253-A288 VanDerWaalsContact CD-CB 3.48Å; L283-A288 HydrophobicContact CB-CB 3.98Å; L283-A288 HydrophobicContact CD2-CB 3.82Å; L283-A288 HydrophobicContact CG-CB 4.49Å; L283-A288 WeakPolarHBondContact O-CB 3.24Å; L283-A288 PolarHBondContact O-N 3.19Å; D286-A288 PolarHBondContact O-N 2.88Å; A288-R324 PolarHBondContact O-NH1 3Å; A288-R324 PolarHBondContact O-NH2 3.29Å | ||
| 289 | N | 98.9 | Very high | 98.9 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | trans | -90.3 | 109.1 | 176.6 | -176.6 | 16.2 | 0 | 0 | 0 | 110.1 | N256 H258 F259 N328 S332 | N256-N289 PolarHBondContact O-ND2 2.97Å; N256-N289 WeakPolarHBondContact OD1-CB 3.37Å; H258-N289 WeakPolarHBondContact CA-O 3.42Å; H258-N289 PolarHBondContact ND1-OD1 2.97Å; F259-N289 PolarHBondContact N-O 3.19Å; N289-N328 WeakPolarHBondContact OD1-CB 3.42Å; N289-S332 PolarHBondContact ND2-OG 3.07Å; N289-S332 PolarHBondContact OD1-OG 3.45Å | ||
| 290 | Y | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 164.7 | -179.4 | 72.2 | -86.8 | 0 | 0 | 0 | 111.9 | F259 I261 V280 L283 L292 F317 E321 L325 | F259-Y290 CarbonylContact O-C 3.45Å; F259-Y290 WeakPolarHBondContact O-CA 3.06Å; F259-Y290 VanDerWaalsContact O-CB 3.24Å; F259-Y290 WeakPolarHBondContact O-CB 3.42Å; I261-Y290 HydrophobicContact CG1-CD2 4.14Å; I261-Y290 HydrophobicContact CG1-CG 4.43Å; V280-Y290 HydrophobicContact CG2-CD2 3.82Å; V280-Y290 HydrophobicContact CG2-CE2 3.5Å; V280-Y290 VanDerWaalsContact CG2-CE2 3.5Å; L283-Y290 HydrophobicContact CB-CD1 3.79Å; L283-Y290 HydrophobicContact CB-CE1 4.06Å; L283-Y290 HydrophobicContact CB-CG 4.34Å; L283-Y290 HydrophobicContact CD1-CG 4.35Å; Y290-L292 HydrophobicContact CD2-CD2 4.5Å; Y290-L292 HydrophobicContact CE2-CD2 4.19Å; Y290-F317 HydrophobicContact CE2-CE1 4.01Å; Y290-F317 HydrophobicContact CE2-CZ 4.21Å; Y290-F317 AromaticContact CZ-CE1 3.95Å; Y290-F317 WeakPolarHBondContact OH-CE1 3.32Å; Y290-F317 VanDerWaalsContact OH-CZ 3.26Å; Y290-F317 WeakPolarHBondContact OH-CZ 3.28Å; Y290-E321 WeakPolarHBondContact CE1-OE1 3.34Å; Y290-E321 VanDerWaalsContact CZ-OE1 3.32Å; Y290-E321 WeakPolarHBondContact OH-CG 3.19Å; Y290-E321 PolarHBondContact OH-OE1 3.16Å; Y290-L325 HydrophobicContact CE2-CB 4.18Å; Y290-L325 HydrophobicContact CE2-CD2 3.92Å |
| 291 | S | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 164.6 | 174 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | H258 F259 I261 N293 | H258-S291 PolarHBondContact CE1-N 3.16Å; H258-S291 WeakPolarHBondContact NE2-CB 3.41Å; H258-S291 PolarHBondContact NE2-N 2.83Å; H258-S291 PolarHBondContact NE2-OG 2.82Å; F259-S291 PolarHBondContact O-N 3.3Å; I261-S291 VanDerWaalsContact CB-O 3.26Å; I261-S291 WeakPolarHBondContact CB-O 3.45Å; I261-S291 PolarHBondContact N-O 3.42Å; I261-S291 VanDerWaalsContact N-O 3.15Å; S291-N293 PolarHBondContact OG-ND2 2.84Å |
| 292 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.2 | 170 | -64.9 | -176.4 | 0 | 0 | 0 | 109.2 | I261 P263 V280 Y290 Y308 T311 F317 F322 L325 | I261-L292 HydrophobicContact CB-CD2 4.48Å; I261-L292 HydrophobicContact CG2-CD2 4.34Å; I261-L292 CarbonylContact O-C 3.56Å; I261-L292 WeakPolarHBondContact O-CA 3.37Å; P263-L292 HydrophobicContact CG-CD2 3.76Å; V280-L292 HydrophobicContact CG2-CD2 4.29Å; Y290-L292 HydrophobicContact CD2-CD2 4.5Å; Y290-L292 HydrophobicContact CE2-CD2 4.19Å; L292-Y308 HydrophobicContact CB-CD2 4.45Å; L292-Y308 HydrophobicContact CB-CE2 3.97Å; L292-Y308 HydrophobicContact CD1-CD1 4.45Å; L292-Y308 HydrophobicContact CD1-CD2 4.2Å; L292-Y308 HydrophobicContact CD1-CE1 4.47Å; L292-Y308 HydrophobicContact CD1-CE2 4.23Å; L292-Y308 HydrophobicContact CD1-CG 4.35Å; L292-T311 HydrophobicContact CD1-CG2 4.25Å; L292-T311 HydrophobicContact CD2-CG2 4.22Å; L292-F317 HydrophobicContact CD1-CE1 4.36Å; L292-F322 HydrophobicContact CD1-CD1 4.18Å; L292-F322 HydrophobicContact CD1-CE1 3.84Å; L292-L325 HydrophobicContact CB-CD1 4.38Å; L292-L325 HydrophobicContact CD1-CD1 4.49Å; L292-L325 HydrophobicContact CD1-CD2 3.92Å; L292-L325 HydrophobicContact CG-CD1 4.08Å; L292-L325 HydrophobicContact CG-CD2 3.94Å |
| 293 | N | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -143.7 | 155.2 | -169.2 | -45.6 | -90.1 | 0 | 0 | 0 | 112.4 | E13 L14 H15 I261 C262 S291 | E13-N293 HydrophobicContact CG-CB 4.12Å; L14-N293 PolarHBondContact N-OD1 3.15Å; H15-N293 HydrophobicContact CB-CB 3.74Å; H15-N293 PolarHBondContact N-OD1 3.26Å; H15-N293 VanDerWaalsContact N-OD1 3.07Å; H15-N293 WeakPolarHBondContact O-CB 3.43Å; I261-N293 PolarHBondContact N-ND2 3.48Å; I261-N293 PolarHBondContact O-N 3.16Å; I261-N293 PolarHBondContact O-ND2 2.94Å; C262-N293 WeakPolarHBondContact CA-O 3.48Å; S291-N293 PolarHBondContact OG-ND2 2.84Å | ||
| 294 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -86.5 | -24.1 | -176.6 | 51.1 | 0 | 0 | 0 | 0 | 115.2 | E13 V16 K90 D296 L304 | E13-T294 VanDerWaalsContact OE1-CB 3.28Å; E13-T294 WeakPolarHBondContact OE1-CB 3.31Å; E13-T294 WeakPolarHBondContact OE1-CG2 3.49Å; E13-T294 PolarHBondContact OE1-N 3.41Å; E13-T294 PolarHBondContact OE1-OG1 3Å; V16-T294 WeakPolarHBondContact CG2-OG1 3.48Å; K90-T294 PolarHBondContact NZ-OG1 3.46Å; T294-D296 PolarHBondContact O-N 2.7Å; T294-L304 HydrophobicContact CG2-CB 4.2Å; T294-L304 HydrophobicContact CG2-CD2 3.82Å; T294-L304 HydrophobicContact CG2-CG 3.7Å | ||
| 295 | D | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | 65.3 | -92.1 | -176 | -159.2 | 19.7 | 0 | 0 | 0 | 112.9 | H15 V16 H17 H238 C262 S265 P297 F300 | H15-D295 IonicContact CD2-OD1 3.83Å; H15-D295 PolarHBondContact CD2-OD1 3Å; H15-D295 VanDerWaalsContact CD2-OD1 3.25Å; H15-D295 IonicContact NE2-OD1 3.68Å; H15-D295 PolarHBondContact NE2-OD1 3.38Å; H15-D295 WeakPolarHBondContact O-CA 3.27Å; H15-D295 PolarHBondContact O-N 2.93Å; H15-D295 VanDerWaalsContact O-N 3.13Å; V16-D295 CarbonylContact C-O 3.54Å; V16-D295 VanDerWaalsContact CA-O 3.31Å; V16-D295 WeakPolarHBondContact CA-O 3.17Å; V16-D295 WeakPolarHBondContact CG2-O 3.08Å; H17-D295 IonicContact CD2-OD1 3.57Å; H17-D295 PolarHBondContact CD2-OD1 3.36Å; H17-D295 PolarHBondContact N-O 3.22Å; H17-D295 IonicContact NE2-OD1 3.32Å; H238-D295 IonicContact CE1-OD2 3.3Å; H238-D295 PolarHBondContact CE1-OD2 3.05Å; C262-D295 HydrophobicContact CB-CB 3.9Å; S265-D295 VanDerWaalsContact CB-OD2 3.31Å; S265-D295 WeakPolarHBondContact CB-OD2 3.48Å; S265-D295 PolarHBondContact OG-OD2 2.85Å; D295-P297 VanDerWaalsContact C-CD 3.49Å; D295-P297 VanDerWaalsContact O-CD 3.26Å; D295-P297 WeakPolarHBondContact O-CD 3.38Å; D295-F300 HydrophobicContact CB-CD2 4.44Å; D295-F300 HydrophobicContact CB-CE2 3.97Å |
| 296 | D | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -121.5 | 70.8 | -178.6 | -64.9 | -95.4 | 0 | 0 | 0 | 112.1 | H17 G20 F61 F65 T294 L298 I299 F300 | H17-D296 WeakPolarHBondContact CB-OD1 3.49Å; H17-D296 IonicContact CD2-OD2 2.71Å; H17-D296 IonicContact CG-OD1 2.69Å; G20-D296 WeakPolarHBondContact CA-OD1 3.33Å; G20-D296 CarbonylContact O-C 3.58Å; G20-D296 WeakPolarHBondContact O-CA 3.39Å; F61-D296 HydrophobicContact CE2-CB 3.86Å; F61-D296 HydrophobicContact CZ-CB 3.95Å; F61-D296 VanDerWaalsContact CZ-OD2 3.29Å; F61-D296 WeakPolarHBondContact CZ-OD2 3.38Å; F65-D296 VanDerWaalsContact CZ-OD1 3.27Å; F65-D296 WeakPolarHBondContact CZ-OD1 3.41Å; T294-D296 PolarHBondContact O-N 2.7Å; D296-L298 PolarHBondContact O-N 2.92Å; D296-I299 HydrophobicContact CB-CB 4.38Å; D296-I299 HydrophobicContact CB-CD1 4.31Å; D296-I299 PolarHBondContact O-N 3.39Å; D296-F300 HydrophobicContact CB-CD2 3.93Å; D296-F300 HydrophobicContact CB-CE2 3.7Å; D296-F300 HydrophobicContact CB-CZ 4.33Å; D296-F300 WeakPolarHBondContact O-CD2 3.24Å; D296-F300 PolarHBondContact O-N 2.99Å |
| 297 | P | 98.9 | Very high | 98.9 | Very high | 15 Ų | 15 | 18.3 Ų | 18.3 | 10% | 0.097 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23 | -170.7 | 22.3 | -33.4 | 0 | 0 | 0 | 114.8 | V16 G20 S21 D295 K301 S302 | V16-P297 HydrophobicContact CG2-CG 4.32Å; G20-P297 WeakPolarHBondContact O-CD 3.4Å; S21-P297 WeakPolarHBondContact OG-CD 3.48Å; S21-P297 VanDerWaalsContact OG-CG 3.23Å; S21-P297 WeakPolarHBondContact OG-CG 3.36Å; D295-P297 VanDerWaalsContact C-CD 3.49Å; D295-P297 VanDerWaalsContact O-CD 3.26Å; D295-P297 WeakPolarHBondContact O-CD 3.38Å; P297-K301 VanDerWaalsContact O-CA 3.3Å; P297-K301 WeakPolarHBondContact O-CA 3.21Å; P297-K301 PolarHBondContact O-N 2.96Å; P297-S302 WeakPolarHBondContact CA-OG 3.46Å; P297-S302 VanDerWaalsContact CB-O 3.25Å; P297-S302 WeakPolarHBondContact CB-O 3.24Å; P297-S302 PolarHBondContact O-N 3.38Å |
| 298 | L | 98.8 | Very high | 98.9 | Very high | 10 Ų | 10 | 13.3 Ų | 13.3 | 5% | 0.052 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -51.7 | 171.6 | 170.7 | 60 | 0 | 0 | 0 | 111.2 | G20 I22 P24 I27 L47 I50 Y68 D296 | G20-L298 WeakPolarHBondContact O-CB 2.93Å; G20-L298 PolarHBondContact O-N 3.23Å; I22-L298 HydrophobicContact CB-CD2 4.35Å; I22-L298 WeakPolarHBondContact O-CD1 3.39Å; P24-L298 HydrophobicContact CG-CD1 3.78Å; I27-L298 HydrophobicContact CD1-CD2 3.71Å; L47-L298 HydrophobicContact CD2-CD1 3.75Å; I50-L298 HydrophobicContact CG2-CG 4.27Å; Y68-L298 HydrophobicContact CD1-CD2 4.39Å; Y68-L298 HydrophobicContact CD2-CD2 4.34Å; Y68-L298 HydrophobicContact CE1-CD2 4.07Å; Y68-L298 HydrophobicContact CE2-CD2 4.04Å; D296-L298 PolarHBondContact O-N 2.92Å |
| 299 | I | 98.8 | Very high | 98.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -38.4 | -174.2 | -62.5 | 165.5 | 0 | 0 | 0 | 109.7 | I50 G51 M52 F61 K64 F65 Y68 D296 K301 | I50-I299 HydrophobicContact CG2-CG1 3.93Å; G51-I299 CarbonylContact C-O 3.48Å; G51-I299 WeakPolarHBondContact CA-O 3.43Å; M52-I299 HydrophobicContact CG-CG2 4.06Å; M52-I299 PolarHBondContact N-O 2.94Å; M52-I299 HydrophobicContact SD-CG2 3.8Å; F61-I299 HydrophobicContact CD2-CB 4.45Å; F61-I299 HydrophobicContact CD2-CD1 4.31Å; F61-I299 HydrophobicContact CD2-CG2 3.73Å; F61-I299 HydrophobicContact CE2-CB 4.08Å; F61-I299 HydrophobicContact CE2-CD1 3.66Å; F61-I299 HydrophobicContact CE2-CG1 4.48Å; F61-I299 HydrophobicContact CE2-CG2 3.87Å; F61-I299 HydrophobicContact CZ-CD1 4.29Å; K64-I299 HydrophobicContact CB-CD1 4.03Å; K64-I299 HydrophobicContact CB-CG1 4.22Å; K64-I299 HydrophobicContact CB-CG2 4.13Å; K64-I299 HydrophobicContact CG-CG2 3.96Å; F65-I299 HydrophobicContact CD2-CD1 3.78Å; F65-I299 HydrophobicContact CE1-CD1 4.46Å; F65-I299 HydrophobicContact CE2-CD1 3.37Å; F65-I299 HydrophobicContact CZ-CD1 3.77Å; Y68-I299 HydrophobicContact CE1-CD1 4.39Å; Y68-I299 HydrophobicContact CE1-CG1 4.39Å; D296-I299 HydrophobicContact CB-CB 4.38Å; D296-I299 HydrophobicContact CB-CD1 4.31Å; D296-I299 PolarHBondContact O-N 3.39Å; I299-K301 VanDerWaalsContact C-N 3.25Å; I299-K301 PolarHBondContact O-N 3.05Å |
| 300 | F | 98.8 | Very high | 98.9 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.009 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.7 | 179 | -57.7 | -37.1 | 0 | 0 | 0 | 114.1 | F61 W264 S265 L268 T269 D295 D296 S302 | F61-F300 HydrophobicContact CD2-CD1 4.46Å; F61-F300 AromaticContact CD2-CE1 3.42Å; F61-F300 HydrophobicContact CD2-CE1 3.42Å; F61-F300 VanDerWaalsContact CD2-CE1 3.42Å; F61-F300 AromaticContact CD2-CZ 3.55Å; F61-F300 HydrophobicContact CD2-CZ 3.55Å; F61-F300 HydrophobicContact CE2-CD1 4.48Å; F61-F300 AromaticContact CE2-CE1 3.55Å; F61-F300 HydrophobicContact CE2-CE1 3.55Å; F61-F300 HydrophobicContact CE2-CE2 4.03Å; F61-F300 AromaticContact CE2-CZ 3.27Å; F61-F300 HydrophobicContact CE2-CZ 3.27Å; F61-F300 HydrophobicContact CG-CE1 4.34Å; F61-F300 HydrophobicContact CG-CZ 4.34Å; F61-F300 HydrophobicContact CZ-CE2 4.46Å; F61-F300 AromaticContact CZ-CZ 3.87Å; F61-F300 HydrophobicContact CZ-CZ 3.87Å; W264-F300 PolarHBondContact NE1-O 3.22Å; S265-F300 VanDerWaalsContact OG-CE2 3.27Å; S265-F300 WeakPolarHBondContact OG-CE2 3.3Å; S265-F300 WeakPolarHBondContact OG-CZ 3.47Å; L268-F300 HydrophobicContact CB-CD1 3.79Å; L268-F300 HydrophobicContact CB-CE1 3.88Å; L268-F300 HydrophobicContact CD1-CB 3.75Å; L268-F300 HydrophobicContact CD1-CD1 3.43Å; L268-F300 VanDerWaalsContact CD1-CD1 3.43Å; L268-F300 HydrophobicContact CD1-CE1 4.36Å; L268-F300 HydrophobicContact CD1-CG 3.91Å; L268-F300 HydrophobicContact CG-CD1 4.26Å; T269-F300 HydrophobicContact CG2-CE1 4.08Å; T269-F300 HydrophobicContact CG2-CZ 3.75Å; D295-F300 HydrophobicContact CB-CD2 4.44Å; D295-F300 HydrophobicContact CB-CE2 3.97Å; D296-F300 HydrophobicContact CB-CD2 3.93Å; D296-F300 HydrophobicContact CB-CE2 3.7Å; D296-F300 HydrophobicContact CB-CZ 4.33Å; D296-F300 WeakPolarHBondContact O-CD2 3.24Å; D296-F300 PolarHBondContact O-N 2.99Å; F300-S302 PolarHBondContact O-N 2.58Å |
| 301 | K | 98.7 | Very high | 98.9 | Very high | 77 Ų | 77 | 16.2 Ų | 16.2 | 34% | 0.335 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 44.2 | -178.4 | -57.4 | -172.3 | -64.7 | -179.1 | 0 | 111.7 | L47 D53 P297 I299 | L47-K301 HydrophobicContact CD2-CG 4.47Å; D53-K301 WeakPolarHBondContact OD1-CE 3.29Å; D53-K301 IonicContact OD1-NZ 2.8Å; D53-K301 PolarHBondContact OD1-NZ 3.28Å; D53-K301 IonicContact OD2-NZ 3.48Å; D53-K301 PolarHBondContact OD2-NZ 3.33Å; P297-K301 VanDerWaalsContact O-CA 3.3Å; P297-K301 WeakPolarHBondContact O-CA 3.21Å; P297-K301 PolarHBondContact O-N 2.96Å; I299-K301 VanDerWaalsContact C-N 3.25Å; I299-K301 PolarHBondContact O-N 3.05Å |
| 302 | S | 98.8 | Very high | 98.8 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 8% | 0.084 | 11% | 0.106 | C | C | . | . | trans | -122 | 168.3 | -170.6 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | P297 F300 T306 | P297-S302 WeakPolarHBondContact CA-OG 3.46Å; P297-S302 VanDerWaalsContact CB-O 3.25Å; P297-S302 WeakPolarHBondContact CB-O 3.24Å; P297-S302 PolarHBondContact O-N 3.38Å; F300-S302 PolarHBondContact O-N 2.58Å; S302-T306 WeakPolarHBondContact CB-OG1 3.18Å | ||
| 303 | T | 98.9 | Very high | 98.8 | Very high | 60 Ų | 60 | 28.8 Ų | 28.8 | 37% | 0.368 | 14% | 0.137 | S | C | . | . | trans | -132.6 | 173.6 | 161.7 | 63 | 0 | 0 | 0 | 0 | 106.8 | D305 T306 | T303-D305 PolarHBondContact O-N 2.97Å; T303-D305 VanDerWaalsContact O-N 3.08Å; T303-D305 PolarHBondContact OG1-N 3.15Å; T303-T306 PolarHBondContact N-OG1 3.39Å; T303-T306 WeakPolarHBondContact O-CB 3.06Å; T303-T306 PolarHBondContact O-N 3.48Å; T303-T306 PolarHBondContact O-OG1 2.89Å | ||
| 304 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.8 | -31.1 | 174.6 | -81.2 | 169.5 | 0 | 0 | 0 | 112.5 | K11 E13 E93 V95 T294 T306 D307 Y308 | K11-L304 HydrophobicContact CB-CD1 4.46Å; K11-L304 HydrophobicContact CD-CB 4.4Å; K11-L304 HydrophobicContact CD-CD1 4.12Å; E13-L304 HydrophobicContact CB-CD1 4.28Å; E13-L304 HydrophobicContact CG-CD2 4.22Å; E13-L304 WeakPolarHBondContact OE1-CD2 3.46Å; E93-L304 HydrophobicContact CB-CD1 4.42Å; E93-L304 WeakPolarHBondContact OE2-CB 3.27Å; E93-L304 WeakPolarHBondContact OE2-CG 3.29Å; E93-L304 PolarHBondContact OE2-N 2.88Å; V95-L304 HydrophobicContact CG2-CD1 3.27Å; T294-L304 HydrophobicContact CG2-CB 4.2Å; T294-L304 HydrophobicContact CG2-CD2 3.82Å; T294-L304 HydrophobicContact CG2-CG 3.7Å; L304-T306 PolarHBondContact O-N 3.23Å; L304-D307 PolarHBondContact O-N 3.41Å; L304-D307 VanDerWaalsContact O-N 3.16Å; L304-Y308 HydrophobicContact CB-CD2 4.42Å; L304-Y308 HydrophobicContact CB-CE2 4.48Å; L304-Y308 HydrophobicContact CD2-CE2 4.22Å; L304-Y308 WeakPolarHBondContact O-CD2 3.13Å; L304-Y308 PolarHBondContact O-N 3.04Å |
| 305 | D | 98.8 | Very high | 98.8 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 24% | 0.235 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -26.4 | 177.4 | -164.1 | 57.7 | 0 | 0 | 0 | 112.4 | P5 A6 T303 Q309 | P5-D305 VanDerWaalsContact CA-OD1 3.28Å; P5-D305 WeakPolarHBondContact CA-OD1 3.16Å; P5-D305 WeakPolarHBondContact CB-OD1 3.35Å; A6-D305 PolarHBondContact N-OD1 3.02Å; T303-D305 PolarHBondContact O-N 2.97Å; T303-D305 VanDerWaalsContact O-N 3.08Å; T303-D305 PolarHBondContact OG1-N 3.15Å; D305-Q309 WeakPolarHBondContact O-CA 3.27Å; D305-Q309 WeakPolarHBondContact O-CB 3.31Å; D305-Q309 PolarHBondContact O-N 3.35Å |
| 306 | T | 98.9 | Very high | 98.8 | Very high | 45 Ų | 45 | 36 Ų | 36 | 28% | 0.276 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 172 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | W264 S302 T303 L304 Q309 M310 | W264-T306 HydrophobicContact CB-CG2 4.02Å; W264-T306 HydrophobicContact CD2-CG2 3.94Å; W264-T306 HydrophobicContact CG-CG2 3.65Å; S302-T306 WeakPolarHBondContact CB-OG1 3.18Å; T303-T306 PolarHBondContact N-OG1 3.39Å; T303-T306 WeakPolarHBondContact O-CB 3.06Å; T303-T306 PolarHBondContact O-N 3.48Å; T303-T306 PolarHBondContact O-OG1 2.89Å; L304-T306 PolarHBondContact O-N 3.23Å; T306-Q309 PolarHBondContact O-N 3.04Å; T306-M310 WeakPolarHBondContact O-CB 3.49Å; T306-M310 PolarHBondContact O-N 2.84Å |
| 307 | D | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.4 | -42.3 | -178.7 | -62.1 | -79.9 | 0 | 0 | 0 | 112.5 | P263 W264 L304 T311 | P263-D307 VanDerWaalsContact CD-OD1 3.27Å; P263-D307 WeakPolarHBondContact CD-OD1 3.49Å; P263-D307 HydrophobicContact CG-CB 4.24Å; W264-D307 VanDerWaalsContact CB-OD1 3.26Å; W264-D307 WeakPolarHBondContact CB-OD1 3.37Å; W264-D307 PolarHBondContact N-OD1 2.93Å; L304-D307 PolarHBondContact O-N 3.41Å; L304-D307 VanDerWaalsContact O-N 3.16Å; D307-T311 WeakPolarHBondContact O-CB 3.25Å; D307-T311 WeakPolarHBondContact O-CG2 3.44Å; D307-T311 PolarHBondContact O-N 2.8Å; D307-T311 PolarHBondContact O-OG1 2.88Å |
| 308 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -39.6 | 176 | -81.4 | -109 | 0 | 0 | 0 | 111.6 | F7 K11 L292 L304 T311 K312 F322 N326 | F7-Y308 HydrophobicContact CB-CD1 3.46Å; F7-Y308 VanDerWaalsContact CB-CD1 3.46Å; F7-Y308 HydrophobicContact CB-CE1 3.88Å; F7-Y308 HydrophobicContact CB-CG 4.41Å; F7-Y308 HydrophobicContact CD1-CD1 4.04Å; F7-Y308 AromaticContact CD1-CE1 3.51Å; F7-Y308 HydrophobicContact CD1-CE1 3.51Å; F7-Y308 HydrophobicContact CE1-CE1 4.31Å; F7-Y308 HydrophobicContact CG-CD1 4.07Å; F7-Y308 AromaticContact CG-CE1 3.97Å; F7-Y308 HydrophobicContact CG-CE1 3.97Å; K11-Y308 HydrophobicContact CD-CE1 4.42Å; K11-Y308 HydrophobicContact CD-CE2 3.93Å; L292-Y308 HydrophobicContact CB-CD2 4.45Å; L292-Y308 HydrophobicContact CB-CE2 3.97Å; L292-Y308 HydrophobicContact CD1-CD1 4.45Å; L292-Y308 HydrophobicContact CD1-CD2 4.2Å; L292-Y308 HydrophobicContact CD1-CE1 4.47Å; L292-Y308 HydrophobicContact CD1-CE2 4.23Å; L292-Y308 HydrophobicContact CD1-CG 4.35Å; L304-Y308 HydrophobicContact CB-CD2 4.42Å; L304-Y308 HydrophobicContact CB-CE2 4.48Å; L304-Y308 HydrophobicContact CD2-CE2 4.22Å; L304-Y308 WeakPolarHBondContact O-CD2 3.13Å; L304-Y308 PolarHBondContact O-N 3.04Å; Y308-T311 WeakPolarHBondContact CA-OG1 3.42Å; Y308-T311 PolarHBondContact O-OG1 3.02Å; Y308-T311 VanDerWaalsContact O-OG1 3.09Å; Y308-K312 WeakPolarHBondContact O-CB 3.18Å; Y308-K312 PolarHBondContact O-N 2.96Å; Y308-F322 HydrophobicContact CD1-CB 4.49Å; Y308-F322 AromaticContact CD1-CD1 3.32Å; Y308-F322 HydrophobicContact CD1-CD1 3.32Å; Y308-F322 HydrophobicContact CD1-CD2 4.21Å; Y308-F322 AromaticContact CD1-CE1 3.4Å; Y308-F322 HydrophobicContact CD1-CE1 3.4Å; Y308-F322 HydrophobicContact CD1-CE2 4.26Å; Y308-F322 AromaticContact CD1-CG 3.77Å; Y308-F322 HydrophobicContact CD1-CG 3.77Å; Y308-F322 AromaticContact CD1-CZ 3.89Å; Y308-F322 HydrophobicContact CD1-CZ 3.89Å; Y308-F322 HydrophobicContact CE1-CB 4.11Å; Y308-F322 AromaticContact CE1-CD1 3.43Å; Y308-F322 HydrophobicContact CE1-CD1 3.43Å; Y308-F322 VanDerWaalsContact CE1-CD1 3.43Å; Y308-F322 AromaticContact CE1-CE1 3.97Å; Y308-F322 HydrophobicContact CE1-CE1 3.97Å; Y308-F322 AromaticContact CE1-CG 3.84Å; Y308-F322 HydrophobicContact CE1-CG 3.84Å; Y308-F322 HydrophobicContact CG-CD1 4.37Å; Y308-F322 HydrophobicContact CG-CE1 4.08Å; Y308-F322 HydrophobicContact CG-CZ 4.48Å; Y308-F322 WeakPolarHBondContact O-CZ 3.38Å; Y308-N326 PolarHBondContact OH-ND2 3.03Å; Y308-N326 PolarHBondContact OH-OD1 3.49Å |
| 309 | Q | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.8 | -39.5 | 178.5 | -174.6 | 63.3 | 15.5 | 0 | 0 | 111.2 | A6 D305 T306 R313 | A6-Q309 HydrophobicContact CB-CB 4.04Å; A6-Q309 VanDerWaalsContact CB-OE1 3.3Å; D305-Q309 WeakPolarHBondContact O-CA 3.27Å; D305-Q309 WeakPolarHBondContact O-CB 3.31Å; D305-Q309 PolarHBondContact O-N 3.35Å; T306-Q309 PolarHBondContact O-N 3.04Å; Q309-R313 WeakPolarHBondContact O-CB 3.43Å; Q309-R313 PolarHBondContact O-N 3.49Å |
| 310 | M | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -50.2 | 175.5 | -172 | 172.5 | 68.4 | 0 | 0 | 111.3 | P263 W264 T306 K312 R313 D314 M315 | P263-M310 HydrophobicContact CB-CE 3.14Å; P263-M310 VanDerWaalsContact O-CE 3.31Å; P263-M310 WeakPolarHBondContact O-CE 3.38Å; W264-M310 HydrophobicContact CB-CE 4.45Å; W264-M310 HydrophobicContact CE3-SD 3.97Å; T306-M310 WeakPolarHBondContact O-CB 3.49Å; T306-M310 PolarHBondContact O-N 2.84Å; M310-K312 VanDerWaalsContact C-N 3.34Å; M310-K312 PolarHBondContact O-N 2.98Å; M310-R313 PolarHBondContact O-N 3.46Å; M310-D314 WeakPolarHBondContact O-CB 3.41Å; M310-D314 PolarHBondContact O-N 3.37Å; M310-M315 HydrophobicContact CE-CE 4.05Å; M310-M315 HydrophobicContact CG-CE 4.33Å |
| 311 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -35.8 | 179.1 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | P263 V280 L292 D307 Y308 M315 G316 F317 | P263-T311 HydrophobicContact CB-CG2 4.2Å; P263-T311 HydrophobicContact CG-CG2 3.85Å; V280-T311 HydrophobicContact CG1-CG2 4.45Å; L292-T311 HydrophobicContact CD1-CG2 4.25Å; L292-T311 HydrophobicContact CD2-CG2 4.22Å; D307-T311 WeakPolarHBondContact O-CB 3.25Å; D307-T311 WeakPolarHBondContact O-CG2 3.44Å; D307-T311 PolarHBondContact O-N 2.8Å; D307-T311 PolarHBondContact O-OG1 2.88Å; Y308-T311 WeakPolarHBondContact CA-OG1 3.42Å; Y308-T311 PolarHBondContact O-OG1 3.02Å; Y308-T311 VanDerWaalsContact O-OG1 3.09Å; T311-M315 HydrophobicContact CG2-SD 3.86Å; T311-M315 CarbonylContact O-C 3.53Å; T311-M315 VanDerWaalsContact O-C 3.28Å; T311-M315 WeakPolarHBondContact O-CA 3.33Å; T311-M315 VanDerWaalsContact O-CB 3.24Å; T311-M315 WeakPolarHBondContact O-CB 3.08Å; T311-M315 PolarHBondContact O-N 2.93Å; T311-M315 VanDerWaalsContact O-N 3.17Å; T311-G316 PolarHBondContact O-N 3.37Å; T311-F317 HydrophobicContact CG2-CE2 4.33Å; T311-F317 HydrophobicContact CG2-CZ 4.39Å; T311-F317 WeakPolarHBondContact O-CD2 3.48Å; T311-F317 PolarHBondContact O-N 3.11Å; T311-F317 VanDerWaalsContact O-N 3.12Å |
| 312 | K | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.9 | -52 | 173.7 | -175.7 | 178.7 | 179.9 | -176.3 | 0 | 112.4 | A6 Y308 M310 F322 | A6-K312 HydrophobicContact CB-CB 4.46Å; A6-K312 HydrophobicContact CB-CD 3.95Å; A6-K312 PolarHBondContact O-NZ 3.45Å; A6-K312 VanDerWaalsContact O-NZ 3.17Å; Y308-K312 WeakPolarHBondContact O-CB 3.18Å; Y308-K312 PolarHBondContact O-N 2.96Å; M310-K312 VanDerWaalsContact C-N 3.34Å; M310-K312 PolarHBondContact O-N 2.98Å; K312-F322 HydrophobicContact CB-CE2 4.14Å; K312-F322 HydrophobicContact CB-CZ 3.95Å; K312-F322 HydrophobicContact CD-CE2 4.45Å; K312-F322 HydrophobicContact CG-CE2 4.47Å |
| 313 | R | 98.5 | Very high | 98.8 | Very high | 172 Ų | 172 | 46.4 Ų | 46.4 | 65% | 0.649 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -70.2 | -46.4 | -172.1 | -173.8 | -169.8 | 70.1 | -168.8 | -3.8 | 111.8 | Q309 M310 | Q309-R313 WeakPolarHBondContact O-CB 3.43Å; Q309-R313 PolarHBondContact O-N 3.49Å; M310-R313 PolarHBondContact O-N 3.46Å |
| 314 | D | 98.5 | Very high | 98.8 | Very high | 89 Ų | 89 | 45.7 Ų | 45.7 | 48% | 0.476 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -103.2 | -22.4 | -167.7 | -56.1 | -30.1 | 0 | 0 | 0 | 112.6 | M310 | M310-D314 WeakPolarHBondContact O-CB 3.41Å; M310-D314 PolarHBondContact O-N 3.37Å |
| 315 | M | 98.6 | Very high | 98.8 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -118.9 | 4.3 | -171.6 | -46.5 | -178 | -174.1 | 0 | 0 | 113.3 | W272 H278 V280 I281 M310 T311 F317 | W272-M315 HydrophobicContact CH2-CE 4.49Å; H278-M315 HydrophobicContact CB-CE 3.67Å; H278-M315 HydrophobicContact CB-SD 4.02Å; V280-M315 HydrophobicContact CG1-SD 3.56Å; V280-M315 VanDerWaalsContact CG1-SD 3.56Å; I281-M315 HydrophobicContact CD1-CB 3.96Å; I281-M315 HydrophobicContact CD1-CG 3.94Å; I281-M315 HydrophobicContact CD1-SD 4.37Å; I281-M315 HydrophobicContact CG1-CB 3.85Å; I281-M315 HydrophobicContact CG1-CG 4.12Å; I281-M315 HydrophobicContact CG1-SD 4.16Å; M310-M315 HydrophobicContact CE-CE 4.05Å; M310-M315 HydrophobicContact CG-CE 4.33Å; T311-M315 HydrophobicContact CG2-SD 3.86Å; T311-M315 CarbonylContact O-C 3.53Å; T311-M315 VanDerWaalsContact O-C 3.28Å; T311-M315 WeakPolarHBondContact O-CA 3.33Å; T311-M315 VanDerWaalsContact O-CB 3.24Å; T311-M315 WeakPolarHBondContact O-CB 3.08Å; T311-M315 PolarHBondContact O-N 2.93Å; T311-M315 VanDerWaalsContact O-N 3.17Å; M315-F317 HydrophobicContact CB-CD2 3.97Å; M315-F317 HydrophobicContact CB-CE2 4.09Å; M315-F317 PolarHBondContact O-N 3.2Å |
| 316 | G | 98.4 | Very high | 98.8 | Very high | 49 Ų | 49 | 43.6 Ų | 43.6 | 51% | 0.505 | 22% | 0.217 | S | C | . | . | trans | 65.8 | 31 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T311 | T311-G316 PolarHBondContact O-N 3.37Š| ||
| 317 | F | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | -66.8 | 139.3 | 173.5 | -83.9 | -127 | 0 | 0 | 0 | 111.2 | V280 K284 Y290 L292 T311 M315 E321 F322 L325 | V280-F317 HydrophobicContact CG1-CE2 4.16Å; V280-F317 HydrophobicContact CG1-CZ 4.08Å; V280-F317 HydrophobicContact CG2-CZ 3.83Å; K284-F317 HydrophobicContact CB-CE2 4.24Å; K284-F317 HydrophobicContact CB-CZ 4.06Å; K284-F317 HydrophobicContact CD-CD2 3.71Å; K284-F317 HydrophobicContact CD-CE1 4.49Å; K284-F317 HydrophobicContact CD-CE2 3.63Å; K284-F317 HydrophobicContact CD-CG 4.17Å; K284-F317 HydrophobicContact CD-CZ 4.03Å; K284-F317 HydrophobicContact CG-CE2 4.47Å; K284-F317 HydrophobicContact CG-CZ 4.48Å; Y290-F317 HydrophobicContact CE2-CE1 4.01Å; Y290-F317 HydrophobicContact CE2-CZ 4.21Å; Y290-F317 AromaticContact CZ-CE1 3.95Å; Y290-F317 WeakPolarHBondContact OH-CE1 3.32Å; Y290-F317 VanDerWaalsContact OH-CZ 3.26Å; Y290-F317 WeakPolarHBondContact OH-CZ 3.28Å; L292-F317 HydrophobicContact CD1-CE1 4.36Å; T311-F317 HydrophobicContact CG2-CE2 4.33Å; T311-F317 HydrophobicContact CG2-CZ 4.39Å; T311-F317 WeakPolarHBondContact O-CD2 3.48Å; T311-F317 PolarHBondContact O-N 3.11Å; T311-F317 VanDerWaalsContact O-N 3.12Å; M315-F317 HydrophobicContact CB-CD2 3.97Å; M315-F317 HydrophobicContact CB-CE2 4.09Å; M315-F317 PolarHBondContact O-N 3.2Å; F317-E321 HydrophobicContact CD1-CB 4.47Å; F317-E321 HydrophobicContact CD1-CG 3.86Å; F317-E321 HydrophobicContact CE1-CG 3.98Å; F317-F322 HydrophobicContact CB-CE1 3.72Å; F317-F322 HydrophobicContact CB-CE2 4.1Å; F317-F322 HydrophobicContact CB-CZ 3.48Å; F317-F322 VanDerWaalsContact CB-CZ 3.48Å; F317-F322 HydrophobicContact CD1-CD1 4.01Å; F317-F322 AromaticContact CD1-CE1 3.57Å; F317-F322 HydrophobicContact CD1-CE1 3.57Å; F317-F322 HydrophobicContact CD1-CZ 4.24Å; F317-F322 HydrophobicContact CG-CE1 4.05Å; F317-F322 HydrophobicContact CG-CZ 4.27Å; F317-L325 HydrophobicContact CD1-CD2 4.16Å; F317-L325 HydrophobicContact CE1-CD2 3.88Å | ||
| 318 | T | 98.8 | Very high | 98.8 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | trans | -107.7 | 168.3 | 178.3 | 77.6 | 0 | 0 | 0 | 0 | 111.1 | E320 E321 F322 | T318-E320 WeakPolarHBondContact CB-OE2 3.25Å; T318-E320 PolarHBondContact O-N 2.84Å; T318-E320 PolarHBondContact OG1-N 3.05Å; T318-E320 PolarHBondContact OG1-OE2 2.66Å; T318-E321 PolarHBondContact O-N 3.32Å; T318-E321 PolarHBondContact OG1-N 3.41Å; T318-F322 WeakPolarHBondContact O-CD2 3.43Å; T318-F322 WeakPolarHBondContact O-CG 3.34Å; T318-F322 PolarHBondContact O-N 3.29Å | ||
| 319 | E | 98.7 | Very high | 98.8 | Very high | 82 Ų | 82 | 43.4 Ų | 43.4 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -36.6 | 174.6 | -172 | -178.3 | 131.5 | 0 | 0 | 111.8 | F7 K9 F322 K323 | F7-E319 HydrophobicContact CD2-CG 4.14Å; F7-E319 HydrophobicContact CE2-CG 3.86Å; K9-E319 VanDerWaalsContact CE-CD 3.45Å; K9-E319 WeakPolarHBondContact CE-OE1 3.41Å; K9-E319 IonicContact NZ-OE1 2.76Å; E319-F322 PolarHBondContact O-N 3.15Å; E319-K323 WeakPolarHBondContact O-CG 3.32Å; E319-K323 PolarHBondContact O-N 2.97Å; E319-K323 WeakPolarHBondContact OE1-CE 3.21Å; E319-K323 IonicContact OE1-NZ 2.64Å; E319-K323 PolarHBondContact OE1-NZ 2.73Å |
| 320 | E | 98.7 | Very high | 98.8 | Very high | 127 Ų | 127 | 41 Ų | 41 | 59% | 0.593 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.3 | -44 | 178.4 | -62.7 | 70.3 | -155.7 | 0 | 0 | 111.3 | T318 K323 R324 | T318-E320 WeakPolarHBondContact CB-OE2 3.25Å; T318-E320 PolarHBondContact O-N 2.84Å; T318-E320 PolarHBondContact OG1-N 3.05Å; T318-E320 PolarHBondContact OG1-OE2 2.66Å; E320-K323 PolarHBondContact O-N 3Å; E320-R324 WeakPolarHBondContact O-CB 3.48Å; E320-R324 PolarHBondContact O-N 3.09Å |
| 321 | E | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 175.9 | -175.2 | 61.3 | -167.4 | 0 | 0 | 111.1 | K284 Q287 Y290 F317 T318 K323 R324 L325 | K284-E321 HydrophobicContact CD-CG 4.05Å; K284-E321 HydrophobicContact CG-CG 3.9Å; Q287-E321 PolarHBondContact NE2-OE2 2.86Å; Y290-E321 WeakPolarHBondContact CE1-OE1 3.34Å; Y290-E321 VanDerWaalsContact CZ-OE1 3.32Å; Y290-E321 WeakPolarHBondContact OH-CG 3.19Å; Y290-E321 PolarHBondContact OH-OE1 3.16Å; F317-E321 HydrophobicContact CD1-CB 4.47Å; F317-E321 HydrophobicContact CD1-CG 3.86Å; F317-E321 HydrophobicContact CE1-CG 3.98Å; T318-E321 PolarHBondContact O-N 3.32Å; T318-E321 PolarHBondContact OG1-N 3.41Å; E321-K323 VanDerWaalsContact C-N 3.33Å; E321-K323 PolarHBondContact O-N 3.47Å; E321-R324 PolarHBondContact O-N 3.25Å; E321-R324 IonicContact OE1-CZ 3.18Å; E321-R324 IonicContact OE1-NE 2.72Å; E321-R324 PolarHBondContact OE1-NE 2.91Å; E321-R324 IonicContact OE1-NH2 3.71Å; E321-R324 PolarHBondContact OE1-NH2 2.72Å; E321-R324 IonicContact OE2-CZ 2.77Å; E321-R324 IonicContact OE2-NE 2.72Å; E321-R324 PolarHBondContact OE2-NE 2.97Å; E321-R324 IonicContact OE2-NH2 3.41Å; E321-L325 HydrophobicContact CG-CD2 4.48Å; E321-L325 WeakPolarHBondContact O-CD2 3.43Å; E321-L325 WeakPolarHBondContact O-CG 3.44Å; E321-L325 PolarHBondContact O-N 2.75Å |
| 322 | F | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 173.8 | -68.7 | -44.3 | 0 | 0 | 0 | 112.4 | F7 L292 Y308 K312 F317 T318 E319 L325 N326 | F7-F322 HydrophobicContact CB-CB 4.43Å; F7-F322 HydrophobicContact CB-CD2 3.84Å; F7-F322 HydrophobicContact CB-CE2 4.32Å; F7-F322 HydrophobicContact CB-CG 4.17Å; F7-F322 HydrophobicContact CD1-CB 4.08Å; F7-F322 HydrophobicContact CD2-CB 3.59Å; F7-F322 AromaticContact CD2-CD2 3.95Å; F7-F322 HydrophobicContact CD2-CD2 3.95Å; F7-F322 HydrophobicContact CD2-CG 4.11Å; F7-F322 HydrophobicContact CE1-CB 4.16Å; F7-F322 HydrophobicContact CE2-CB 3.67Å; F7-F322 HydrophobicContact CG-CB 3.79Å; F7-F322 HydrophobicContact CG-CD2 4.06Å; F7-F322 HydrophobicContact CG-CG 4.08Å; F7-F322 HydrophobicContact CZ-CB 3.94Å; L292-F322 HydrophobicContact CD1-CD1 4.18Å; L292-F322 HydrophobicContact CD1-CE1 3.84Å; Y308-F322 HydrophobicContact CD1-CB 4.49Å; Y308-F322 AromaticContact CD1-CD1 3.32Å; Y308-F322 HydrophobicContact CD1-CD1 3.32Å; Y308-F322 HydrophobicContact CD1-CD2 4.21Å; Y308-F322 AromaticContact CD1-CE1 3.4Å; Y308-F322 HydrophobicContact CD1-CE1 3.4Å; Y308-F322 HydrophobicContact CD1-CE2 4.26Å; Y308-F322 AromaticContact CD1-CG 3.77Å; Y308-F322 HydrophobicContact CD1-CG 3.77Å; Y308-F322 AromaticContact CD1-CZ 3.89Å; Y308-F322 HydrophobicContact CD1-CZ 3.89Å; Y308-F322 HydrophobicContact CE1-CB 4.11Å; Y308-F322 AromaticContact CE1-CD1 3.43Å; Y308-F322 HydrophobicContact CE1-CD1 3.43Å; Y308-F322 VanDerWaalsContact CE1-CD1 3.43Å; Y308-F322 AromaticContact CE1-CE1 3.97Å; Y308-F322 HydrophobicContact CE1-CE1 3.97Å; Y308-F322 AromaticContact CE1-CG 3.84Å; Y308-F322 HydrophobicContact CE1-CG 3.84Å; Y308-F322 HydrophobicContact CG-CD1 4.37Å; Y308-F322 HydrophobicContact CG-CE1 4.08Å; Y308-F322 HydrophobicContact CG-CZ 4.48Å; Y308-F322 WeakPolarHBondContact O-CZ 3.38Å; K312-F322 HydrophobicContact CB-CE2 4.14Å; K312-F322 HydrophobicContact CB-CZ 3.95Å; K312-F322 HydrophobicContact CD-CE2 4.45Å; K312-F322 HydrophobicContact CG-CE2 4.47Å; F317-F322 HydrophobicContact CB-CE1 3.72Å; F317-F322 HydrophobicContact CB-CE2 4.1Å; F317-F322 HydrophobicContact CB-CZ 3.48Å; F317-F322 VanDerWaalsContact CB-CZ 3.48Å; F317-F322 HydrophobicContact CD1-CD1 4.01Å; F317-F322 AromaticContact CD1-CE1 3.57Å; F317-F322 HydrophobicContact CD1-CE1 3.57Å; F317-F322 HydrophobicContact CD1-CZ 4.24Å; F317-F322 HydrophobicContact CG-CE1 4.05Å; F317-F322 HydrophobicContact CG-CZ 4.27Å; T318-F322 WeakPolarHBondContact O-CD2 3.43Å; T318-F322 WeakPolarHBondContact O-CG 3.34Å; T318-F322 PolarHBondContact O-N 3.29Å; E319-F322 PolarHBondContact O-N 3.15Å; F322-L325 HydrophobicContact CD1-CD2 3.96Å; F322-N326 PolarHBondContact O-N 3.13Å; F322-N326 PolarHBondContact O-ND2 3.34Å |
| 323 | K | 98.9 | Very high | 98.8 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 173.1 | -71.2 | 172.4 | 179.8 | 166.4 | 0 | 111.2 | F7 E319 E320 E321 N326 I327 Y351 | F7-K323 HydrophobicContact CE2-CG 4.16Å; F7-K323 HydrophobicContact CZ-CG 4.09Å; E319-K323 WeakPolarHBondContact O-CG 3.32Å; E319-K323 PolarHBondContact O-N 2.97Å; E319-K323 WeakPolarHBondContact OE1-CE 3.21Å; E319-K323 IonicContact OE1-NZ 2.64Å; E319-K323 PolarHBondContact OE1-NZ 2.73Å; E320-K323 PolarHBondContact O-N 3Å; E321-K323 VanDerWaalsContact C-N 3.33Å; E321-K323 PolarHBondContact O-N 3.47Å; K323-N326 PolarHBondContact O-N 3.38Å; K323-I327 WeakPolarHBondContact O-CD1 3.39Å; K323-I327 WeakPolarHBondContact O-CG1 3.08Å; K323-I327 PolarHBondContact O-N 2.77Å; K323-Y351 HydrophobicContact CB-CD2 3.75Å; K323-Y351 HydrophobicContact CB-CE2 3.83Å; K323-Y351 HydrophobicContact CB-CG 4.3Å; K323-Y351 HydrophobicContact CD-CD1 4.48Å; K323-Y351 HydrophobicContact CD-CD2 4.28Å; K323-Y351 HydrophobicContact CD-CG 4.02Å; K323-Y351 HydrophobicContact CG-CD1 3.99Å; K323-Y351 HydrophobicContact CG-CD2 3.66Å; K323-Y351 HydrophobicContact CG-CE1 4.2Å; K323-Y351 HydrophobicContact CG-CE2 3.9Å; K323-Y351 HydrophobicContact CG-CG 3.7Å |
| 324 | R | 98.9 | Very high | 98.8 | Very high | 46 Ų | 46 | 33 Ų | 33 | 17% | 0.174 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -49.3 | -178 | -169.6 | -166.3 | 75.4 | 85.9 | 8.3 | 111.9 | Q287 A288 E320 E321 N326 I327 N328 | Q287-R324 PolarHBondContact O-NH1 3.04Å; Q287-R324 VanDerWaalsContact O-NH1 3.12Å; A288-R324 PolarHBondContact O-NH1 3Å; A288-R324 PolarHBondContact O-NH2 3.29Å; E320-R324 WeakPolarHBondContact O-CB 3.48Å; E320-R324 PolarHBondContact O-N 3.09Å; E321-R324 PolarHBondContact O-N 3.25Å; E321-R324 IonicContact OE1-CZ 3.18Å; E321-R324 IonicContact OE1-NE 2.72Å; E321-R324 PolarHBondContact OE1-NE 2.91Å; E321-R324 IonicContact OE1-NH2 3.71Å; E321-R324 PolarHBondContact OE1-NH2 2.72Å; E321-R324 IonicContact OE2-CZ 2.77Å; E321-R324 IonicContact OE2-NE 2.72Å; E321-R324 PolarHBondContact OE2-NE 2.97Å; E321-R324 IonicContact OE2-NH2 3.41Å; R324-N326 VanDerWaalsContact C-N 3.32Å; R324-N326 PolarHBondContact O-N 3Å; R324-I327 PolarHBondContact O-N 2.71Å; R324-N328 PolarHBondContact NH1-ND2 3.1Å; R324-N328 PolarHBondContact O-N 3.12Å |
| 325 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.9 | -34.6 | -178.2 | 71.5 | 85.1 | 0 | 0 | 0 | 112.2 | Y290 L292 F317 E321 F322 N328 A329 | Y290-L325 HydrophobicContact CE2-CB 4.18Å; Y290-L325 HydrophobicContact CE2-CD2 3.92Å; L292-L325 HydrophobicContact CB-CD1 4.38Å; L292-L325 HydrophobicContact CD1-CD1 4.49Å; L292-L325 HydrophobicContact CD1-CD2 3.92Å; L292-L325 HydrophobicContact CG-CD1 4.08Å; L292-L325 HydrophobicContact CG-CD2 3.94Å; F317-L325 HydrophobicContact CD1-CD2 4.16Å; F317-L325 HydrophobicContact CE1-CD2 3.88Å; E321-L325 HydrophobicContact CG-CD2 4.48Å; E321-L325 WeakPolarHBondContact O-CD2 3.43Å; E321-L325 WeakPolarHBondContact O-CG 3.44Å; E321-L325 PolarHBondContact O-N 2.75Å; F322-L325 HydrophobicContact CD1-CD2 3.96Å; L325-N328 PolarHBondContact O-N 3.37Å; L325-A329 WeakPolarHBondContact O-CB 3.23Å; L325-A329 PolarHBondContact O-N 3.34Å |
| 326 | N | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71 | -36 | 175.8 | -81.5 | -73.6 | 0 | 0 | 0 | 112.3 | K11 V12 Y308 F322 K323 R324 N328 A329 A330 Y351 | K11-N326 VanDerWaalsContact CA-OD1 3.31Å; K11-N326 WeakPolarHBondContact CA-OD1 3.46Å; V12-N326 PolarHBondContact N-OD1 3.46Å; Y308-N326 PolarHBondContact OH-ND2 3.03Å; Y308-N326 PolarHBondContact OH-OD1 3.49Å; F322-N326 PolarHBondContact O-N 3.13Å; F322-N326 PolarHBondContact O-ND2 3.34Å; K323-N326 PolarHBondContact O-N 3.38Å; R324-N326 VanDerWaalsContact C-N 3.32Å; R324-N326 PolarHBondContact O-N 3Å; N326-N328 VanDerWaalsContact C-N 3.34Å; N326-A329 PolarHBondContact O-N 2.93Å; N326-A330 PolarHBondContact O-N 3.32Å; N326-Y351 HydrophobicContact CB-CE2 4.39Å; N326-Y351 VanDerWaalsContact CB-OH 3.28Å; N326-Y351 WeakPolarHBondContact CB-OH 3.44Å |
| 327 | I | 98.9 | Very high | 98.8 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 172.1 | -70.9 | 158.8 | 0 | 0 | 0 | 110.3 | K323 R324 A330 K331 L344 Y348 Y351 M353 | K323-I327 WeakPolarHBondContact O-CD1 3.39Å; K323-I327 WeakPolarHBondContact O-CG1 3.08Å; K323-I327 PolarHBondContact O-N 2.77Å; R324-I327 PolarHBondContact O-N 2.71Å; I327-A330 PolarHBondContact O-N 3.35Å; I327-K331 HydrophobicContact CG2-CD 4.32Å; I327-K331 WeakPolarHBondContact O-CG 3.43Å; I327-K331 PolarHBondContact O-N 3.41Å; I327-L344 HydrophobicContact CG2-CD2 3.96Å; I327-Y348 HydrophobicContact CD1-CD1 4.15Å; I327-Y348 HydrophobicContact CD1-CE1 3.76Å; I327-Y348 HydrophobicContact CG1-CD1 4.45Å; I327-Y348 HydrophobicContact CG1-CE1 3.98Å; I327-Y348 HydrophobicContact CG2-CE1 4.12Å; I327-Y351 HydrophobicContact CD1-CD2 4.11Å; I327-Y351 HydrophobicContact CD1-CE2 4.35Å; I327-Y351 HydrophobicContact CG1-CD2 4.36Å; I327-Y351 HydrophobicContact CG1-CE2 4.2Å; I327-M353 HydrophobicContact CD1-CE 3.89Å; I327-M353 HydrophobicContact CD1-SD 3.63Å |
| 328 | N | 98.9 | Very high | 98.7 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 174.9 | -81.2 | -10.8 | 0 | 0 | 0 | 112 | N289 R324 L325 N326 A330 K331 S332 | N289-N328 WeakPolarHBondContact OD1-CB 3.42Å; R324-N328 PolarHBondContact NH1-ND2 3.1Å; R324-N328 PolarHBondContact O-N 3.12Å; L325-N328 PolarHBondContact O-N 3.37Å; N326-N328 VanDerWaalsContact C-N 3.34Å; N328-A330 VanDerWaalsContact C-N 3.33Å; N328-A330 PolarHBondContact O-N 3.46Å; N328-K331 PolarHBondContact O-N 3.29Å; N328-S332 WeakPolarHBondContact O-CB 3.5Å; N328-S332 PolarHBondContact O-N 3.33Å; N328-S332 PolarHBondContact O-OG 2.92Å |
| 329 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V12 L14 L325 N326 K331 S332 S333 | V12-A329 HydrophobicContact CB-CB 3.85Å; V12-A329 HydrophobicContact CG1-CB 3.62Å; L14-A329 HydrophobicContact CD1-CB 3.93Å; L14-A329 HydrophobicContact CG-CB 4.28Å; L325-A329 WeakPolarHBondContact O-CB 3.23Å; L325-A329 PolarHBondContact O-N 3.34Å; N326-A329 PolarHBondContact O-N 2.93Å; A329-K331 PolarHBondContact O-N 3.36Å; A329-S332 CarbonylContact O-C 3.56Å; A329-S332 PolarHBondContact O-N 3.34Å; A329-S333 PolarHBondContact O-N 2.84Å |
| 330 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V12 N326 I327 N328 S332 S333 L343 L344 L347 | V12-A330 HydrophobicContact CG2-CB 4.34Å; N326-A330 PolarHBondContact O-N 3.32Å; I327-A330 PolarHBondContact O-N 3.35Å; N328-A330 VanDerWaalsContact C-N 3.33Å; N328-A330 PolarHBondContact O-N 3.46Å; A330-S332 VanDerWaalsContact C-N 3.31Å; A330-S332 PolarHBondContact O-N 2.92Å; A330-S333 WeakPolarHBondContact O-CB 3.01Å; A330-S333 PolarHBondContact O-N 3.44Å; A330-S333 PolarHBondContact O-OG 3.35Å; A330-L343 HydrophobicContact CB-CD2 3.64Å; A330-L343 HydrophobicContact CB-CG 3.85Å; A330-L344 HydrophobicContact CB-CD2 3.79Å; A330-L344 HydrophobicContact CB-CG 4.18Å; A330-L347 HydrophobicContact CB-CD1 3.71Å |
| 331 | K | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 35.4 Ų | 35.4 | 36% | 0.361 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.6 | -37.6 | 176.2 | -71.3 | 176.1 | 174.6 | -167.3 | 0 | 112.5 | I327 N328 A329 S333 L344 N362 | I327-K331 HydrophobicContact CG2-CD 4.32Å; I327-K331 WeakPolarHBondContact O-CG 3.43Å; I327-K331 PolarHBondContact O-N 3.41Å; N328-K331 PolarHBondContact O-N 3.29Å; A329-K331 PolarHBondContact O-N 3.36Å; K331-S333 VanDerWaalsContact C-N 3.35Å; K331-L344 HydrophobicContact CG-CD1 4.11Å; K331-L344 HydrophobicContact CG-CD2 4.02Å; K331-N362 VanDerWaalsContact CE-OD1 3.31Å; K331-N362 WeakPolarHBondContact CE-OD1 3.19Å; K331-N362 PolarHBondContact NZ-OD1 3.2Å |
| 332 | S | 98.9 | Very high | 98.6 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 7.5 | 178.9 | -65.3 | 0 | 0 | 0 | 0 | 113.8 | R235 H258 N289 N328 A329 A330 | R235-S332 WeakPolarHBondContact CD-O 3.23Å; R235-S332 PolarHBondContact NH1-O 3Å; H258-S332 VanDerWaalsContact CG-CB 3.48Å; H258-S332 WeakPolarHBondContact ND1-CB 3.39Å; H258-S332 PolarHBondContact ND1-OG 3.26Å; N289-S332 PolarHBondContact ND2-OG 3.07Å; N289-S332 PolarHBondContact OD1-OG 3.45Å; N328-S332 WeakPolarHBondContact O-CB 3.5Å; N328-S332 PolarHBondContact O-N 3.33Å; N328-S332 PolarHBondContact O-OG 2.92Å; A329-S332 CarbonylContact O-C 3.56Å; A329-S332 PolarHBondContact O-N 3.34Å; A330-S332 VanDerWaalsContact C-N 3.31Å; A330-S332 PolarHBondContact O-N 2.92Å |
| 333 | S | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -63.6 | 162.1 | 170.2 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | E99 A329 A330 K331 L335 K340 | E99-S333 VanDerWaalsContact OE1-CA 3.28Å; E99-S333 WeakPolarHBondContact OE1-CA 3.37Å; E99-S333 WeakPolarHBondContact OE1-CB 3.39Å; A329-S333 PolarHBondContact O-N 2.84Å; A330-S333 WeakPolarHBondContact O-CB 3.01Å; A330-S333 PolarHBondContact O-N 3.44Å; A330-S333 PolarHBondContact O-OG 3.35Å; K331-S333 VanDerWaalsContact C-N 3.35Å; S333-L335 VanDerWaalsContact C-N 3.27Å; S333-K340 WeakPolarHBondContact O-CE 3.31Å; S333-K340 PolarHBondContact O-NZ 3.09Å; S333-K340 VanDerWaalsContact O-NZ 3.14Å; S333-K340 WeakPolarHBondContact OG-CE 3.31Å; S333-K340 WeakPolarHBondContact OG-CG 3.34Å |
| 334 | F | 98.9 | Very high | 98.6 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.044 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -94.8 | 20.1 | 173.7 | -63.1 | -42.5 | 0 | 0 | 0 | 112.4 | E99 I151 V178 A179 H210 T212 E234 R235 | E99-F334 PolarHBondContact OE1-N 2.88Å; E99-F334 WeakPolarHBondContact OE2-CD2 3.07Å; I151-F334 HydrophobicContact CD1-CD2 4.29Å; I151-F334 HydrophobicContact CD1-CE2 4.37Å; V178-F334 HydrophobicContact CB-CB 3.8Å; V178-F334 HydrophobicContact CG2-CB 3.8Å; A179-F334 HydrophobicContact CB-CD2 3.32Å; A179-F334 HydrophobicContact CB-CE2 3.51Å; A179-F334 HydrophobicContact CB-CG 4.1Å; A179-F334 HydrophobicContact CB-CZ 4.44Å; H210-F334 HydrophobicContact CB-CB 3.96Å; H210-F334 HydrophobicContact CB-CD1 3.33Å; H210-F334 HydrophobicContact CB-CD2 3.99Å; H210-F334 HydrophobicContact CB-CE1 3.64Å; H210-F334 HydrophobicContact CB-CE2 4.21Å; H210-F334 HydrophobicContact CB-CG 3.51Å; H210-F334 HydrophobicContact CB-CZ 4.05Å; H210-F334 AromaticContact CD2-CD1 3.78Å; H210-F334 AromaticContact CD2-CG 3.97Å; H210-F334 AromaticContact CG-CD1 3.28Å; H210-F334 AromaticContact CG-CE1 3.89Å; H210-F334 AromaticContact CG-CG 3.73Å; H210-F334 AromaticContact ND1-CD1 3.56Å; H210-F334 AromaticContact ND1-CE1 3.92Å; T212-F334 HydrophobicContact CG2-CE2 4.34Å; E234-F334 HydrophobicContact CB-CE1 4.07Å; E234-F334 HydrophobicContact CB-CZ 4.42Å; R235-F334 HydrophobicContact CB-CZ 4.42Å; R235-F334 HydrophobicContact CG-CE1 4Å; R235-F334 HydrophobicContact CG-CZ 3.69Å; R235-F334 VanDerWaalsContact CZ-CD2 3.49Å |
| 335 | L | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -66.8 | 151.8 | 171 | -77.8 | 172.6 | 0 | 0 | 0 | 111.8 | Y97 K147 R149 S333 E339 K340 L343 | Y97-L335 HydrophobicContact CD2-CD1 3.95Å; Y97-L335 HydrophobicContact CD2-CG 4.46Å; Y97-L335 HydrophobicContact CE1-CD1 4.25Å; Y97-L335 HydrophobicContact CE1-CG 4.37Å; Y97-L335 HydrophobicContact CE2-CD1 3.62Å; Y97-L335 HydrophobicContact CE2-CD2 3.75Å; Y97-L335 HydrophobicContact CE2-CG 3.65Å; Y97-L335 HydrophobicContact CG-CD1 4.38Å; Y97-L335 WeakPolarHBondContact OH-CG 3.43Å; K147-L335 HydrophobicContact CD-CD1 4Å; K147-L335 HydrophobicContact CD-CD2 3.93Å; R149-L335 HydrophobicContact CG-CD2 3.94Å; S333-L335 VanDerWaalsContact C-N 3.27Å; L335-E339 HydrophobicContact CB-CB 4.1Å; L335-E339 HydrophobicContact CD1-CB 4.14Å; L335-E339 HydrophobicContact CD2-CB 3.96Å; L335-E339 HydrophobicContact CG-CB 4.28Å; L335-K340 HydrophobicContact CB-CG 3.65Å; L335-K340 WeakPolarHBondContact O-CE 3.38Å; L335-L343 HydrophobicContact CD1-CB 4.48Å; L335-L343 HydrophobicContact CD1-CD2 4.04Å |
| 336 | P | 98.5 | Very high | 98.5 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | trans | -52.5 | 149 | 158.8 | -26.3 | 37.3 | 0 | 0 | 0 | 112 | D338 E339 K340 | P336-D338 VanDerWaalsContact C-N 3.27Å; P336-D338 VanDerWaalsContact CB-OD1 3.22Å; P336-D338 WeakPolarHBondContact CB-OD1 3.46Å; P336-D338 PolarHBondContact O-N 3.21Å; P336-E339 WeakPolarHBondContact CD-OE1 3.3Å; P336-E339 PolarHBondContact O-N 3.38Å; P336-E339 VanDerWaalsContact O-N 3.1Å; P336-K340 PolarHBondContact O-N 2.69Å | ||
| 337 | E | 97.8 | Very high | 98.5 | Very high | 113 Ų | 113 | 43.4 Ų | 43.4 | 53% | 0.528 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.2 | -29.5 | -171.8 | -71.9 | -59.8 | 131.1 | 0 | 0 | 114.4 | K340 R341 | E337-K340 WeakPolarHBondContact OE1-CD 3.4Å; E337-K340 IonicContact OE1-NZ 3.56Å; E337-K340 PolarHBondContact OE1-NZ 2.99Å; E337-R341 WeakPolarHBondContact O-CG 3.17Å; E337-R341 PolarHBondContact O-N 2.68Å; E337-R341 VanDerWaalsContact O-N 3.09Å; E337-R341 PolarHBondContact O-NH1 3.04Å |
| 338 | D | 97.8 | Very high | 98.5 | Very high | 97 Ų | 97 | 43.3 Ų | 43.3 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.6 | -46.1 | 172.3 | 54.9 | -18 | 0 | 0 | 0 | 112.6 | P336 K340 R341 E342 | P336-D338 VanDerWaalsContact C-N 3.27Å; P336-D338 VanDerWaalsContact CB-OD1 3.22Å; P336-D338 WeakPolarHBondContact CB-OD1 3.46Å; P336-D338 PolarHBondContact O-N 3.21Å; D338-K340 VanDerWaalsContact C-N 3.31Å; D338-K340 PolarHBondContact O-N 3.08Å; D338-R341 VanDerWaalsContact CA-NH2 3.28Å; D338-R341 WeakPolarHBondContact O-CB 3.45Å; D338-R341 PolarHBondContact O-N 3.32Å; D338-E342 PolarHBondContact O-N 3.24Å |
| 339 | E | 98.2 | Very high | 98.4 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -33.7 | 174.6 | -63.4 | -166.9 | -105.2 | 0 | 0 | 112.1 | K147 R149 L335 P336 E342 L343 | K147-E339 IonicContact NZ-OE2 3.23Å; K147-E339 PolarHBondContact NZ-OE2 3.23Å; R149-E339 IonicContact CZ-OE2 3.39Å; R149-E339 IonicContact NH2-OE1 2.7Å; R149-E339 IonicContact NH2-OE2 3.56Å; R149-E339 PolarHBondContact NH2-OE2 2.87Å; L335-E339 HydrophobicContact CB-CB 4.1Å; L335-E339 HydrophobicContact CD1-CB 4.14Å; L335-E339 HydrophobicContact CD2-CB 3.96Å; L335-E339 HydrophobicContact CG-CB 4.28Å; P336-E339 WeakPolarHBondContact CD-OE1 3.3Å; P336-E339 PolarHBondContact O-N 3.38Å; P336-E339 VanDerWaalsContact O-N 3.1Å; E339-E342 PolarHBondContact O-N 3.44Å; E339-L343 WeakPolarHBondContact O-CB 3.48Å; E339-L343 PolarHBondContact O-N 3.27Å |
| 340 | K | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 170 | -75.8 | -173.6 | -177.7 | 161 | 0 | 112.1 | S333 L335 P336 E337 D338 E342 L343 L344 | S333-K340 WeakPolarHBondContact O-CE 3.31Å; S333-K340 PolarHBondContact O-NZ 3.09Å; S333-K340 VanDerWaalsContact O-NZ 3.14Å; S333-K340 WeakPolarHBondContact OG-CE 3.31Å; S333-K340 WeakPolarHBondContact OG-CG 3.34Å; L335-K340 HydrophobicContact CB-CG 3.65Å; L335-K340 WeakPolarHBondContact O-CE 3.38Å; P336-K340 PolarHBondContact O-N 2.69Å; E337-K340 WeakPolarHBondContact OE1-CD 3.4Å; E337-K340 IonicContact OE1-NZ 3.56Å; E337-K340 PolarHBondContact OE1-NZ 2.99Å; D338-K340 VanDerWaalsContact C-N 3.31Å; D338-K340 PolarHBondContact O-N 3.08Å; K340-E342 VanDerWaalsContact C-N 3.32Å; K340-E342 PolarHBondContact O-N 3.26Å; K340-L343 PolarHBondContact O-N 3.46Å; K340-L344 WeakPolarHBondContact O-CB 3.37Å; K340-L344 VanDerWaalsContact O-CG 3.31Å; K340-L344 WeakPolarHBondContact O-CG 3.49Å; K340-L344 PolarHBondContact O-N 2.88Å |
| 341 | R | 97.9 | Very high | 98.3 | Very high | 148 Ų | 148 | 51.1 Ų | 51.1 | 56% | 0.558 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.8 | -40.2 | 177.4 | -76.3 | -175.2 | -60.7 | -89.6 | 4.3 | 111.5 | E337 D338 L344 D345 | E337-R341 WeakPolarHBondContact O-CG 3.17Å; E337-R341 PolarHBondContact O-N 2.68Å; E337-R341 VanDerWaalsContact O-N 3.09Å; E337-R341 PolarHBondContact O-NH1 3.04Å; D338-R341 VanDerWaalsContact CA-NH2 3.28Å; D338-R341 WeakPolarHBondContact O-CB 3.45Å; D338-R341 PolarHBondContact O-N 3.32Å; R341-L344 PolarHBondContact O-N 3.07Å; R341-D345 WeakPolarHBondContact O-CB 3.28Å; R341-D345 PolarHBondContact O-N 3.13Å |
| 342 | E | 98.1 | Very high | 98.2 | Very high | 117 Ų | 117 | 50.5 Ų | 50.5 | 55% | 0.547 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 173.7 | -175.6 | -174.2 | -158.9 | 0 | 0 | 111.4 | K147 D338 E339 K340 L344 D345 L346 | K147-E342 IonicContact NZ-OE2 3.95Å; K147-E342 PolarHBondContact NZ-OE2 2.94Å; K147-E342 VanDerWaalsContact NZ-OE2 3.13Å; D338-E342 PolarHBondContact O-N 3.24Å; E339-E342 PolarHBondContact O-N 3.44Å; K340-E342 VanDerWaalsContact C-N 3.32Å; K340-E342 PolarHBondContact O-N 3.26Å; E342-L344 PolarHBondContact O-N 3.38Å; E342-D345 PolarHBondContact O-N 3.16Å; E342-L346 PolarHBondContact O-N 2.93Å |
| 343 | L | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 177.5 | 178.3 | 58.8 | 0 | 0 | 0 | 112 | V12 V96 Y97 A330 L335 E339 K340 L346 L347 | V12-L343 HydrophobicContact CG2-CD1 4.37Å; V12-L343 HydrophobicContact CG2-CD2 4.23Å; V96-L343 HydrophobicContact CG2-CD1 4.04Å; Y97-L343 HydrophobicContact CD1-CD2 3.6Å; Y97-L343 HydrophobicContact CD2-CD2 4.46Å; Y97-L343 HydrophobicContact CE1-CD2 4.44Å; Y97-L343 HydrophobicContact CG-CD2 3.62Å; A330-L343 HydrophobicContact CB-CD2 3.64Å; A330-L343 HydrophobicContact CB-CG 3.85Å; L335-L343 HydrophobicContact CD1-CB 4.48Å; L335-L343 HydrophobicContact CD1-CD2 4.04Å; E339-L343 WeakPolarHBondContact O-CB 3.48Å; E339-L343 PolarHBondContact O-N 3.27Å; K340-L343 PolarHBondContact O-N 3.46Å; L343-L346 WeakPolarHBondContact O-CB 3.2Å; L343-L346 PolarHBondContact O-N 3.49Å; L343-L347 HydrophobicContact CD1-CG 4.48Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 3.38Å |
| 344 | L | 98.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 177.6 | -75.5 | 167.6 | 0 | 0 | 0 | 112.1 | I327 A330 K331 K340 R341 E342 L346 L347 Y348 | I327-L344 HydrophobicContact CG2-CD2 3.96Å; A330-L344 HydrophobicContact CB-CD2 3.79Å; A330-L344 HydrophobicContact CB-CG 4.18Å; K331-L344 HydrophobicContact CG-CD1 4.11Å; K331-L344 HydrophobicContact CG-CD2 4.02Å; K340-L344 WeakPolarHBondContact O-CB 3.37Å; K340-L344 VanDerWaalsContact O-CG 3.31Å; K340-L344 WeakPolarHBondContact O-CG 3.49Å; K340-L344 PolarHBondContact O-N 2.88Å; R341-L344 PolarHBondContact O-N 3.07Å; E342-L344 PolarHBondContact O-N 3.38Å; L344-L346 VanDerWaalsContact C-N 3.32Å; L344-L346 PolarHBondContact O-N 3.32Å; L344-L347 PolarHBondContact O-N 3.41Å; L344-Y348 HydrophobicContact CB-CD2 4.38Å; L344-Y348 HydrophobicContact CB-CE2 3.91Å; L344-Y348 HydrophobicContact CD2-CE2 4.49Å; L344-Y348 WeakPolarHBondContact O-CB 3.34Å; L344-Y348 WeakPolarHBondContact O-CD2 3.3Å; L344-Y348 PolarHBondContact O-N 2.89Å |
| 345 | D | 98 | Very high | 95.9 | Very high | 54 Ų | 54 | 58 Ų | 58 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 175.8 | 177.9 | 64.2 | 0 | 0 | 0 | 111.7 | R341 E342 Y348 K349 P355 | R341-D345 WeakPolarHBondContact O-CB 3.28Å; R341-D345 PolarHBondContact O-N 3.13Å; E342-D345 PolarHBondContact O-N 3.16Å; D345-Y348 PolarHBondContact O-N 3.31Å; D345-K349 WeakPolarHBondContact O-CB 3.36Å; D345-K349 VanDerWaalsContact O-CG 3.31Å; D345-K349 WeakPolarHBondContact O-CG 3.32Å; D345-K349 PolarHBondContact O-N 2.96Å; D345-K349 WeakPolarHBondContact OD1-CE 3.3Å; D345-K349 IonicContact OD1-NZ 3.65Å; D345-K349 WeakPolarHBondContact OD2-CE 3.4Å; D345-K349 IonicContact OD2-NZ 2.62Å; D345-K349 PolarHBondContact OD2-NZ 2.75Å; D345-P355 WeakPolarHBondContact OD1-CB 3.25Å |
| 346 | L | 98.4 | Very high | 94 | Very high | 74 Ų | 74 | 63.1 Ų | 63.1 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.2 | -49.6 | 173.3 | -177.2 | 160.7 | 0 | 0 | 0 | 111.4 | P10 V96 E342 L343 L344 K349 A350 | P10-L346 HydrophobicContact CB-CD2 4.39Å; V96-L346 HydrophobicContact CB-CD2 4.18Å; V96-L346 HydrophobicContact CG1-CD2 4.15Å; V96-L346 HydrophobicContact CG2-CD2 3.93Å; E342-L346 PolarHBondContact O-N 2.93Å; L343-L346 WeakPolarHBondContact O-CB 3.2Å; L343-L346 PolarHBondContact O-N 3.49Å; L344-L346 VanDerWaalsContact C-N 3.32Å; L344-L346 PolarHBondContact O-N 3.32Å; L346-K349 PolarHBondContact O-N 3.47Å; L346-A350 WeakPolarHBondContact O-CB 3.37Å; L346-A350 PolarHBondContact O-N 2.7Å |
| 347 | L | 98.4 | Very high | 92 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 179.2 | -68.4 | 179 | 0 | 0 | 0 | 111.9 | P10 V12 V96 A330 L343 L344 K349 A350 Y351 | P10-L347 HydrophobicContact CB-CD2 3.94Å; V12-L347 HydrophobicContact CG2-CD1 3.97Å; V96-L347 HydrophobicContact CG2-CD2 4.04Å; A330-L347 HydrophobicContact CB-CD1 3.71Å; L343-L347 HydrophobicContact CD1-CG 4.48Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 3.38Å; L344-L347 PolarHBondContact O-N 3.41Å; L347-K349 PolarHBondContact O-N 3.42Å; L347-A350 PolarHBondContact O-N 2.95Å; L347-Y351 HydrophobicContact CB-CD2 4.44Å; L347-Y351 HydrophobicContact CB-CE2 4.2Å; L347-Y351 HydrophobicContact CD2-CE2 4.39Å; L347-Y351 VanDerWaalsContact O-CB 3.29Å; L347-Y351 WeakPolarHBondContact O-CB 3.19Å; L347-Y351 WeakPolarHBondContact O-CD2 3.3Å; L347-Y351 PolarHBondContact O-N 3.09Å |
| 348 | Y | 98.1 | Very high | 90 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 178.6 | -66.2 | -39.1 | 0 | 0 | 0 | 111.7 | I327 L344 D345 Y351 G352 M353 S358 N362 | I327-Y348 HydrophobicContact CD1-CD1 4.15Å; I327-Y348 HydrophobicContact CD1-CE1 3.76Å; I327-Y348 HydrophobicContact CG1-CD1 4.45Å; I327-Y348 HydrophobicContact CG1-CE1 3.98Å; I327-Y348 HydrophobicContact CG2-CE1 4.12Å; L344-Y348 HydrophobicContact CB-CD2 4.38Å; L344-Y348 HydrophobicContact CB-CE2 3.91Å; L344-Y348 HydrophobicContact CD2-CE2 4.49Å; L344-Y348 WeakPolarHBondContact O-CB 3.34Å; L344-Y348 WeakPolarHBondContact O-CD2 3.3Å; L344-Y348 PolarHBondContact O-N 2.89Å; D345-Y348 PolarHBondContact O-N 3.31Å; Y348-Y351 PolarHBondContact O-N 3.29Å; Y348-G352 PolarHBondContact O-N 2.92Å; Y348-M353 HydrophobicContact CD1-CB 4Å; Y348-M353 HydrophobicContact CD1-CE 4.06Å; Y348-M353 HydrophobicContact CD1-SD 4Å; Y348-M353 HydrophobicContact CE1-CE 4.06Å; Y348-M353 HydrophobicContact CE1-SD 4.46Å; Y348-M353 HydrophobicContact CG-CB 4.43Å; Y348-M353 PolarHBondContact O-N 2.64Å; Y348-S358 VanDerWaalsContact CE2-CB 3.48Å; Y348-N362 PolarHBondContact OH-ND2 3.28Å |
| 349 | K | 97.7 | Very high | 88 | Confident | 135 Ų | 135 | 55.6 Ų | 55.6 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59 | -48.7 | 173.8 | -74.8 | 169.4 | 177.2 | 167.5 | 0 | 111.7 | D345 L346 L347 Y351 G352 P355 | D345-K349 WeakPolarHBondContact O-CB 3.36Å; D345-K349 VanDerWaalsContact O-CG 3.31Å; D345-K349 WeakPolarHBondContact O-CG 3.32Å; D345-K349 PolarHBondContact O-N 2.96Å; D345-K349 WeakPolarHBondContact OD1-CE 3.3Å; D345-K349 IonicContact OD1-NZ 3.65Å; D345-K349 WeakPolarHBondContact OD2-CE 3.4Å; D345-K349 IonicContact OD2-NZ 2.62Å; D345-K349 PolarHBondContact OD2-NZ 2.75Å; L346-K349 PolarHBondContact O-N 3.47Å; L347-K349 PolarHBondContact O-N 3.42Å; K349-Y351 PolarHBondContact O-N 3.47Å; K349-G352 PolarHBondContact O-N 3.17Å; K349-P355 HydrophobicContact CG-CG 4.12Å |
| 350 | A | 98.1 | Very high | 85.6 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 35% | 0.347 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.3 | -26.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P10 L346 L347 | P10-A350 HydrophobicContact CB-CB 4.43Å; P10-A350 HydrophobicContact CG-CB 3.61Å; L346-A350 WeakPolarHBondContact O-CB 3.37Å; L346-A350 PolarHBondContact O-N 2.7Å; L347-A350 PolarHBondContact O-N 2.95Å |
| 351 | Y | 98.3 | Very high | 83.5 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -95.3 | -2.9 | -179.3 | -63.6 | -14.3 | 0 | 0 | 0 | 114.1 | F7 K9 P10 K323 N326 I327 L347 Y348 K349 M353 | F7-Y351 HydrophobicContact CE1-CE1 4.31Å; F7-Y351 AromaticContact CZ-CE1 3.73Å; F7-Y351 HydrophobicContact CZ-CE1 3.73Å; F7-Y351 AromaticContact CZ-CZ 3.87Å; K9-Y351 HydrophobicContact CB-CD1 4.41Å; K9-Y351 HydrophobicContact CB-CE1 3.86Å; K9-Y351 HydrophobicContact CD-CD1 3.88Å; K9-Y351 HydrophobicContact CD-CE1 4.05Å; P10-Y351 PolarHBondContact O-OH 3.34Å; K323-Y351 HydrophobicContact CB-CD2 3.75Å; K323-Y351 HydrophobicContact CB-CE2 3.83Å; K323-Y351 HydrophobicContact CB-CG 4.3Å; K323-Y351 HydrophobicContact CD-CD1 4.48Å; K323-Y351 HydrophobicContact CD-CD2 4.28Å; K323-Y351 HydrophobicContact CD-CG 4.02Å; K323-Y351 HydrophobicContact CG-CD1 3.99Å; K323-Y351 HydrophobicContact CG-CD2 3.66Å; K323-Y351 HydrophobicContact CG-CE1 4.2Å; K323-Y351 HydrophobicContact CG-CE2 3.9Å; K323-Y351 HydrophobicContact CG-CG 3.7Å; N326-Y351 HydrophobicContact CB-CE2 4.39Å; N326-Y351 VanDerWaalsContact CB-OH 3.28Å; N326-Y351 WeakPolarHBondContact CB-OH 3.44Å; I327-Y351 HydrophobicContact CD1-CD2 4.11Å; I327-Y351 HydrophobicContact CD1-CE2 4.35Å; I327-Y351 HydrophobicContact CG1-CD2 4.36Å; I327-Y351 HydrophobicContact CG1-CE2 4.2Å; L347-Y351 HydrophobicContact CB-CD2 4.44Å; L347-Y351 HydrophobicContact CB-CE2 4.2Å; L347-Y351 HydrophobicContact CD2-CE2 4.39Å; L347-Y351 VanDerWaalsContact O-CB 3.29Å; L347-Y351 WeakPolarHBondContact O-CB 3.19Å; L347-Y351 WeakPolarHBondContact O-CD2 3.3Å; L347-Y351 PolarHBondContact O-N 3.09Å; Y348-Y351 PolarHBondContact O-N 3.29Å; K349-Y351 PolarHBondContact O-N 3.47Å; Y351-M353 VanDerWaalsContact C-N 3.33Å; Y351-M353 HydrophobicContact CD2-SD 4.37Å |
| 352 | G | 97 | Very high | 81.6 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 73% | 0.732 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 28.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y348 K349 | Y348-G352 PolarHBondContact O-N 2.92Å; K349-G352 PolarHBondContact O-N 3.17Å |
| 353 | M | 94.5 | Very high | 79 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | trans | -97 | 140.8 | 177.9 | -62.6 | 174.7 | 67 | 0 | 0 | 110.1 | I327 Y348 Y351 P355 | I327-M353 HydrophobicContact CD1-CE 3.89Å; I327-M353 HydrophobicContact CD1-SD 3.63Å; Y348-M353 HydrophobicContact CD1-CB 4Å; Y348-M353 HydrophobicContact CD1-CE 4.06Å; Y348-M353 HydrophobicContact CD1-SD 4Å; Y348-M353 HydrophobicContact CE1-CE 4.06Å; Y348-M353 HydrophobicContact CE1-SD 4.46Å; Y348-M353 HydrophobicContact CG-CB 4.43Å; Y348-M353 PolarHBondContact O-N 2.64Å; Y351-M353 VanDerWaalsContact C-N 3.33Å; Y351-M353 HydrophobicContact CD2-SD 4.37Å; M353-P355 WeakPolarHBondContact O-CD 3.49Å | ||
| 354 | P | 84.5 | Confident | 78 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | trans | -68.3 | 111.8 | -175.7 | 26.4 | -33.2 | 0 | 0 | 0 | 111.7 | S356 A357 S358 | P354-S356 PolarHBondContact O-N 3.07Å; P354-A357 HydrophobicContact CB-CB 4.44Å; P354-A357 HydrophobicContact CG-CB 4.34Å; P354-A357 PolarHBondContact O-N 2.88Å; P354-S358 PolarHBondContact O-N 3.19Å; P354-S358 PolarHBondContact O-OG 2.96Å | ||
| 355 | P | 68.7 | Low | 76.9 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 26% | 0.26 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | -170.3 | -21.9 | 33.5 | 0 | 0 | 0 | 113.6 | D345 K349 M353 A357 S358 A359 | D345-P355 WeakPolarHBondContact OD1-CB 3.25Å; K349-P355 HydrophobicContact CG-CG 4.12Å; M353-P355 WeakPolarHBondContact O-CD 3.49Å; P355-A357 PolarHBondContact O-N 3.31Å; P355-S358 PolarHBondContact O-N 3.32Å; P355-A359 WeakPolarHBondContact O-CB 3.47Å; P355-A359 PolarHBondContact O-N 3.22Å |
| 356 | S | 59.3 | Low | 75.8 | Confident | 112 Ų | 112 | 69 Ų | 69 | 78% | 0.783 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -70.5 | -30.4 | -174.5 | -36.1 | 0 | 0 | 0 | 0 | 113.6 | P354 | P354-S356 PolarHBondContact O-N 3.07Å |
| 357 | A | 55.5 | Low | 74.4 | Confident | 53 Ų | 53 | 68.7 Ų | 68.7 | 44% | 0.438 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -80.7 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P354 P355 G360 Q361 | P354-A357 HydrophobicContact CB-CB 4.44Å; P354-A357 HydrophobicContact CG-CB 4.34Å; P354-A357 PolarHBondContact O-N 2.88Å; P355-A357 PolarHBondContact O-N 3.31Å; A357-G360 PolarHBondContact O-N 2.94Å; A357-Q361 WeakPolarHBondContact O-CG 3.48Å; A357-Q361 PolarHBondContact O-N 3.29Å; A357-Q361 VanDerWaalsContact O-N 3.15Å |
| 358 | S | 56.6 | Low | 72.9 | Confident | 10 Ų | 10 | 73 Ų | 73 | 7% | 0.07 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -73.8 | -33.4 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | Y348 P354 P355 Q361 N362 | Y348-S358 VanDerWaalsContact CE2-CB 3.48Å; P354-S358 PolarHBondContact O-N 3.19Å; P354-S358 PolarHBondContact O-OG 2.96Å; P355-S358 PolarHBondContact O-N 3.32Å; S358-Q361 PolarHBondContact O-N 3.2Å; S358-N362 PolarHBondContact O-N 2.86Å; S358-N362 PolarHBondContact O-ND2 2.77Å; S358-N362 VanDerWaalsContact O-ND2 3.07Å |
| 359 | A | 56.1 | Low | 71.3 | Confident | 53 Ų | 53 | 77.1 Ų | 77.1 | 44% | 0.438 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | P355 N362 | P355-A359 WeakPolarHBondContact O-CB 3.47Å; P355-A359 PolarHBondContact O-N 3.22Å; A359-N362 PolarHBondContact O-N 3.14Å |
| 360 | G | 45.8 | Very low | 69.4 | Low | 47 Ų | 47 | 73 Ų | 73 | 49% | 0.485 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.5 | -23.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A357 N362 | A357-G360 PolarHBondContact O-N 2.94Å; G360-N362 VanDerWaalsContact C-N 3.35Å |
| 361 | Q | 55.9 | Low | 67.2 | Low | 155 Ų | 155 | 75.4 Ų | 75.4 | 72% | 0.724 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -80.6 | -15.5 | 172.4 | -74.2 | 171.5 | -19.5 | 0 | 0 | 113.3 | A357 S358 | A357-Q361 WeakPolarHBondContact O-CG 3.48Å; A357-Q361 PolarHBondContact O-N 3.29Å; A357-Q361 VanDerWaalsContact O-N 3.15Å; S358-Q361 PolarHBondContact O-N 3.2Å |
| 362 | N | 57.5 | Low | 64.6 | Low | 68 Ų | 68 | 80.5 Ų | 80.5 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | trans | -97.9 | 1.8 | 178.7 | -65.4 | -30.3 | 0 | 0 | 0 | 112.8 | K331 Y348 S358 A359 G360 | K331-N362 VanDerWaalsContact CE-OD1 3.31Å; K331-N362 WeakPolarHBondContact CE-OD1 3.19Å; K331-N362 PolarHBondContact NZ-OD1 3.2Å; Y348-N362 PolarHBondContact OH-ND2 3.28Å; S358-N362 PolarHBondContact O-N 2.86Å; S358-N362 PolarHBondContact O-ND2 2.77Å; S358-N362 VanDerWaalsContact O-ND2 3.07Å; A359-N362 PolarHBondContact O-N 3.14Å; G360-N362 VanDerWaalsContact C-N 3.35Å | ||
| 363 | L | 43.3 | Very low | 61.6 | Low | 209 Ų | 209 | 81.4 Ų | 81.4 | 100% | 1.094 | 50% | 0.501 | S | S | * | . | trans | -91.9 | 0 | 177.1 | -77.8 | 173.4 | 0 | 0 | 0 | 112.6 |
Retrieved 363 of 363 residues in 188.8 ms
(Link to these results)