| 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 | 56.8 | Low | 78.5 | Confident | 119 Ų | 119 | 21.3 Ų | 21.3 | 59% | 0.586 | 12% | 0.115 | S | C | * | . | 0 | 121.1 | 0 | -84.6 | -179 | -78.9 | 0 | 0 | 106.8 | Q323 K326 | M1-Q323 PolarHBondContact O-NE2 2.97Å; M1-K326 HydrophobicContact SD-CB 4.42Å; M1-K326 HydrophobicContact SD-CG 4.43Å | |||
| 2 | T | 69.6 | Low | 77.5 | Confident | 52 Ų | 52 | 28.2 Ų | 28.2 | 32% | 0.319 | 15% | 0.146 | S | C | . | . | trans | -108.5 | -5.4 | -170.2 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | D375 C376 N377 | T2-D375 PolarHBondContact OG1-OD1 3.5Å; T2-C376 WeakPolarHBondContact O-CB 3.16Å; T2-C376 PolarHBondContact O-N 3.35Å; T2-N377 HydrophobicContact CG2-CB 4.45Å | ||
| 3 | E | 83.6 | Confident | 76.5 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.4 | 178.8 | -176.8 | 172.9 | 178.9 | 0 | 0 | 110.5 | W5 M329 K373 | E3-W5 PolarHBondContact OE1-NE1 3.01Å; E3-M329 HydrophobicContact CG-CE 4.43Å; E3-M329 VanDerWaalsContact OE2-CE 3.26Å; E3-M329 WeakPolarHBondContact OE2-CE 3.2Å; E3-K373 VanDerWaalsContact CD-CE 3.41Å; E3-K373 HydrophobicContact CG-CD 4.43Å; E3-K373 HydrophobicContact CG-CG 4.34Å; E3-K373 WeakPolarHBondContact OE1-CD 3.25Å; E3-K373 WeakPolarHBondContact OE1-CE 3.23Å; E3-K373 IonicContact OE1-NZ 3.07Å; E3-K373 PolarHBondContact OE1-NZ 3.09Å; E3-K373 IonicContact OE2-NZ 2.95Å; E3-K373 PolarHBondContact OE2-NZ 3.13Å |
| 4 | F | 85.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.9 | 173.3 | -63.1 | -91.1 | 0 | 0 | 0 | 110.4 | V99 L321 L322 Q323 I374 | F4-V99 HydrophobicContact CE2-CB 4.46Å; F4-V99 HydrophobicContact CE2-CG1 4.28Å; F4-V99 HydrophobicContact CE2-CG2 4.33Å; F4-V99 HydrophobicContact CZ-CB 4.2Å; F4-V99 HydrophobicContact CZ-CG1 3.62Å; F4-V99 HydrophobicContact CZ-CG2 4.47Å; F4-L321 HydrophobicContact CB-CD1 3.74Å; F4-L321 HydrophobicContact CB-CG 4.21Å; F4-L321 HydrophobicContact CD1-CD1 4.23Å; F4-L321 HydrophobicContact CD1-CD2 3.63Å; F4-L321 HydrophobicContact CD1-CG 3.83Å; F4-L321 HydrophobicContact CE1-CD2 3.92Å; F4-L321 HydrophobicContact CG-CD1 4.25Å; F4-L321 HydrophobicContact CG-CD2 4.33Å; F4-L321 HydrophobicContact CG-CG 4.36Å; F4-L322 CarbonylContact C-O 3.27Å; F4-L322 WeakPolarHBondContact CA-O 3.29Å; F4-Q323 HydrophobicContact CD1-CB 3.82Å; F4-Q323 HydrophobicContact CD1-CG 4Å; F4-Q323 HydrophobicContact CE1-CB 3.89Å; F4-Q323 HydrophobicContact CE1-CG 3.87Å; F4-I374 HydrophobicContact CB-CB 4.27Å; F4-I374 PolarHBondContact N-O 3.43Å; F4-I374 PolarHBondContact O-N 3.41Å |
| 5 | W | 87.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 113.7 | 174 | -61.3 | -7.1 | 0 | 0 | 0 | 108.1 | E3 L322 P324 M329 L332 R333 Y371 | E3-W5 PolarHBondContact OE1-NE1 3.01Å; W5-L322 HydrophobicContact CB-CB 4.43Å; W5-L322 PolarHBondContact N-O 3.31Å; W5-L322 PolarHBondContact O-N 2.97Å; W5-P324 HydrophobicContact CD2-CB 4.45Å; W5-P324 HydrophobicContact CD2-CG 4.02Å; W5-P324 HydrophobicContact CG-CG 4.33Å; W5-P324 HydrophobicContact CH2-CB 4.35Å; W5-P324 HydrophobicContact CZ2-CB 4.22Å; W5-P324 HydrophobicContact CZ2-CG 4.02Å; W5-M329 HydrophobicContact CH2-CB 3.97Å; W5-M329 HydrophobicContact CH2-CG 4.05Å; W5-M329 HydrophobicContact CZ2-CB 4.15Å; W5-M329 HydrophobicContact CZ2-CE 4.39Å; W5-M329 HydrophobicContact CZ2-CG 3.84Å; W5-M329 HydrophobicContact CZ2-SD 4.26Å; W5-L332 HydrophobicContact CE3-CD2 3.87Å; W5-L332 HydrophobicContact CE3-CG 4.48Å; W5-L332 HydrophobicContact CH2-CD2 4.34Å; W5-L332 HydrophobicContact CZ3-CB 4.29Å; W5-L332 HydrophobicContact CZ3-CD2 3.58Å; W5-L332 HydrophobicContact CZ3-CG 3.93Å; W5-R333 HydrophobicContact CH2-CG 3.67Å; W5-R333 HydrophobicContact CZ3-CG 3.77Å; W5-Y371 HydrophobicContact CB-CD2 4.46Å; W5-Y371 HydrophobicContact CB-CE2 3.93Å; W5-Y371 AromaticContact CD2-CE2 3.98Å; W5-Y371 HydrophobicContact CD2-CE2 3.98Å; W5-Y371 HydrophobicContact CE3-CE2 4.41Å; W5-Y371 AromaticContact CG-CE2 3.74Å; W5-Y371 HydrophobicContact CG-CE2 3.74Å |
| 6 | L | 85.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 114.7 | 174.3 | -176.7 | 57.4 | 0 | 0 | 0 | 108.1 | F38 K298 V302 L321 Y372 I374 | L6-F38 HydrophobicContact CD1-CB 3.95Å; L6-F38 HydrophobicContact CD1-CD1 3.97Å; L6-F38 HydrophobicContact CD1-CD2 4.08Å; L6-F38 HydrophobicContact CD1-CE1 4.5Å; L6-F38 HydrophobicContact CD1-CG 3.73Å; L6-F38 HydrophobicContact CD2-CE1 4.38Å; L6-F38 HydrophobicContact CD2-CZ 4.41Å; L6-K298 HydrophobicContact CD2-CB 4.37Å; L6-V302 HydrophobicContact CD2-CG2 3.53Å; L6-V302 HydrophobicContact CG-CG2 3.74Å; L6-L321 HydrophobicContact CB-CD1 4.39Å; L6-L321 HydrophobicContact CD1-CD1 4.34Å; L6-Y372 PolarHBondContact N-O 2.91Å; L6-Y372 PolarHBondContact O-N 2.73Å; L6-I374 HydrophobicContact CB-CD1 4.23Å; L6-I374 HydrophobicContact CD2-CD1 4.18Å |
| 7 | I | 84.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 145.7 | -177.3 | -59.3 | -173 | 0 | 0 | 0 | 109.2 | A319 M320 L322 L336 Y369 V370 Y371 | I7-A319 WeakPolarHBondContact O-CA 3.48Å; I7-M320 HydrophobicContact CB-CG 4.2Å; I7-M320 PolarHBondContact N-O 2.83Å; I7-M320 WeakPolarHBondContact O-CG 3.36Å; I7-M320 PolarHBondContact O-N 2.64Å; I7-M320 VanDerWaalsContact O-O 3.13Å; I7-L322 HydrophobicContact CB-CD1 3.86Å; I7-L322 HydrophobicContact CD1-CD1 3.39Å; I7-L322 HydrophobicContact CG1-CD1 3.61Å; I7-L336 HydrophobicContact CD1-CD1 3.54Å; I7-L336 HydrophobicContact CD1-CD2 4.34Å; I7-Y369 HydrophobicContact CD1-CD2 4.12Å; I7-Y369 HydrophobicContact CD1-CE2 3.6Å; I7-Y369 HydrophobicContact CG1-CD2 4.3Å; I7-Y369 HydrophobicContact CG1-CE2 4.13Å; I7-Y369 HydrophobicContact CG2-CD2 3.57Å; I7-Y369 HydrophobicContact CG2-CE2 4.15Å; I7-Y369 HydrophobicContact CG2-CG 4.11Å; I7-V370 VanDerWaalsContact CA-O 3.29Å; I7-V370 WeakPolarHBondContact CA-O 3.36Å; I7-Y371 HydrophobicContact CG1-CD2 4.28Å |
| 8 | S | 82.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 137.7 | 168.5 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | S306 F317 V370 | S8-S306 VanDerWaalsContact CB-OG 3.29Å; S8-S306 WeakPolarHBondContact CB-OG 3.48Å; S8-S306 PolarHBondContact OG-OG 3.21Å; S8-F317 WeakPolarHBondContact OG-CD2 3.47Å; S8-V370 PolarHBondContact N-O 3.25Å; S8-V370 VanDerWaalsContact N-O 3.11Å |
| 9 | A | 80.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T18 F317 Q318 Y340 | A9-T18 HydrophobicContact CB-CG2 3.76Å; A9-F317 WeakPolarHBondContact O-CA 3.22Å; A9-Q318 PolarHBondContact N-O 2.94Å; A9-Q318 PolarHBondContact O-N 3.49Å; A9-Y340 HydrophobicContact CB-CD1 4.4Å; A9-Y340 HydrophobicContact CB-CE1 3.54Å; A9-Y340 HydrophobicContact CB-CE2 4.35Å; A9-Y340 VanDerWaalsContact CB-CZ 3.49Å; A9-Y340 WeakPolarHBondContact CB-OH 3.28Å |
| 10 | P | 76.2 | Confident | 76.7 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 145.1 | -179.7 | 19.8 | -16.8 | 0 | 0 | 0 | 111.2 | E12 T18 Y311 L343 | P10-E12 PolarHBondContact O-N 3.18Å; P10-E12 VanDerWaalsContact O-N 3.17Å; P10-T18 VanDerWaalsContact O-CG2 3.29Å; P10-T18 WeakPolarHBondContact O-CG2 3.49Å; P10-T18 PolarHBondContact O-OG1 3.09Å; P10-Y311 HydrophobicContact CB-CD1 3.49Å; P10-Y311 VanDerWaalsContact CB-CD1 3.49Å; P10-Y311 HydrophobicContact CB-CE1 3.33Å; P10-Y311 HydrophobicContact CB-CE2 4.46Å; P10-Y311 HydrophobicContact CB-CG 4.16Å; P10-Y311 VanDerWaalsContact CD-OH 3.27Å; P10-Y311 WeakPolarHBondContact CD-OH 3.4Å; P10-Y311 HydrophobicContact CG-CD1 4.02Å; P10-Y311 HydrophobicContact CG-CE1 3.34Å; P10-L343 HydrophobicContact CG-CD1 3.89Å; P10-L343 HydrophobicContact CG-CD2 3.66Å; P10-L343 HydrophobicContact CG-CG 4.44Å |
| 11 | G | 70.8 | Confident | 76.9 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | trans | -75.2 | 94.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | K13 T18 N316 | G11-K13 PolarHBondContact O-N 3.01Å; G11-T18 WeakPolarHBondContact CA-OG1 3.49Å; G11-N316 PolarHBondContact N-O 2.65Å; G11-N316 PolarHBondContact O-ND2 3.32Å | ||
| 12 | E | 66.6 | Low | 78 | Confident | 104 Ų | 104 | 41.2 Ų | 41.2 | 49% | 0.486 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -55.2 | -51.2 | -179.5 | -72.5 | 177.7 | -153.7 | 0 | 0 | 112.5 | P10 K21 | P10-E12 PolarHBondContact O-N 3.18Å; P10-E12 VanDerWaalsContact O-N 3.17Å; E12-K21 IonicContact OE1-NZ 3.53Å; E12-K21 PolarHBondContact OE1-NZ 3.28Å; E12-K21 IonicContact OE2-NZ 2.99Å; E12-K21 PolarHBondContact OE2-NZ 2.91Å |
| 13 | K | 64.9 | Low | 78.6 | Confident | 167 Ų | 167 | 40.3 Ų | 40.3 | 73% | 0.726 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -125.3 | -40.7 | 175.8 | -73.2 | -177.3 | 178.6 | -178.9 | 0 | 112.1 | G11 | G11-K13 PolarHBondContact O-N 3.01Š|
| 14 | T | 72.1 | Confident | 78.5 | Confident | 63 Ų | 63 | 41.5 Ų | 41.5 | 39% | 0.387 | 21% | 0.205 | S | C | . | . | trans | -147.1 | 148.2 | 169.4 | 56.8 | 0 | 0 | 0 | 0 | 108.8 | Q16 Q17 T18 | T14-Q16 PolarHBondContact O-N 3.42Å; T14-Q16 VanDerWaalsContact O-N 3.14Å; T14-Q17 PolarHBondContact O-N 3.28Å; T14-Q17 VanDerWaalsContact O-N 3.08Å; T14-Q17 VanDerWaalsContact OG1-CG 3.3Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.49Å; T14-Q17 PolarHBondContact OG1-N 3.24Å; T14-T18 PolarHBondContact O-N 2.91Å | ||
| 15 | C | 75.1 | Confident | 78.1 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.3 | -31.6 | 175.1 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | T18 W19 N316 Q318 | C15-T18 PolarHBondContact O-N 3.07Å; C15-W19 PolarHBondContact O-N 3.46Å; C15-W19 VanDerWaalsContact O-N 3.08Å; C15-N316 PolarHBondContact SG-OD1 3.22Å; C15-Q318 HydrophobicContact CB-CB 4.06Å |
| 16 | Q | 76.4 | Confident | 77.6 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 38% | 0.379 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 178 | -176.5 | 62.8 | 24 | 0 | 0 | 112.7 | T14 W19 E20 | T14-Q16 PolarHBondContact O-N 3.42Å; T14-Q16 VanDerWaalsContact O-N 3.14Å; Q16-W19 WeakPolarHBondContact O-CB 3.31Å; Q16-W19 PolarHBondContact O-N 3.13Å; Q16-E20 WeakPolarHBondContact CG-OE1 3.39Å; Q16-E20 PolarHBondContact NE2-OE1 3.32Å; Q16-E20 WeakPolarHBondContact O-CG 3.36Å; Q16-E20 PolarHBondContact O-N 2.91Å |
| 17 | Q | 76.9 | Confident | 77.1 | Confident | 80 Ų | 80 | 44 Ų | 44 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69 | -39.3 | 178.4 | -74.9 | 172.9 | 16.7 | 0 | 0 | 111.7 | T14 W19 E20 K21 | T14-Q17 PolarHBondContact O-N 3.28Å; T14-Q17 VanDerWaalsContact O-N 3.08Å; T14-Q17 VanDerWaalsContact OG1-CG 3.3Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.49Å; T14-Q17 PolarHBondContact OG1-N 3.24Å; Q17-W19 VanDerWaalsContact C-N 3.31Å; Q17-W19 PolarHBondContact O-N 3.35Å; Q17-E20 PolarHBondContact O-N 3.47Å; Q17-K21 WeakPolarHBondContact O-CB 3.37Å; Q17-K21 WeakPolarHBondContact O-CG 3.34Å; Q17-K21 PolarHBondContact O-N 2.97Å |
| 18 | T | 78.3 | Confident | 76.4 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 173.5 | -57 | 0 | 0 | 0 | 0 | 110.9 | A9 P10 G11 T14 C15 L22 | A9-T18 HydrophobicContact CB-CG2 3.76Å; P10-T18 VanDerWaalsContact O-CG2 3.29Å; P10-T18 WeakPolarHBondContact O-CG2 3.49Å; P10-T18 PolarHBondContact O-OG1 3.09Å; G11-T18 WeakPolarHBondContact CA-OG1 3.49Å; T14-T18 PolarHBondContact O-N 2.91Å; C15-T18 PolarHBondContact O-N 3.07Å; T18-L22 PolarHBondContact O-N 3.23Å; T18-L22 VanDerWaalsContact O-N 3.11Å |
| 19 | W | 80.5 | Confident | 75.7 | Confident | 30 Ų | 30 | 57 Ų | 57 | 11% | 0.114 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 174.1 | 174.3 | -100.5 | 0 | 0 | 0 | 112.6 | C15 Q16 Q17 L22 M23 N35 K37 Q318 M320 | C15-W19 PolarHBondContact O-N 3.46Å; C15-W19 VanDerWaalsContact O-N 3.08Å; Q16-W19 WeakPolarHBondContact O-CB 3.31Å; Q16-W19 PolarHBondContact O-N 3.13Å; Q17-W19 VanDerWaalsContact C-N 3.31Å; Q17-W19 PolarHBondContact O-N 3.35Å; W19-L22 PolarHBondContact O-N 3.06Å; W19-M23 HydrophobicContact CD2-CG 4.19Å; W19-M23 HydrophobicContact CH2-SD 4.18Å; W19-M23 HydrophobicContact CZ2-CG 3.8Å; W19-M23 HydrophobicContact CZ2-SD 3.7Å; W19-M23 WeakPolarHBondContact O-CB 3.18Å; W19-M23 WeakPolarHBondContact O-CG 3.45Å; W19-M23 PolarHBondContact O-N 2.84Å; W19-N35 HydrophobicContact CH2-CB 3.68Å; W19-N35 HydrophobicContact CZ2-CB 4.4Å; W19-N35 HydrophobicContact CZ3-CB 4.31Å; W19-K37 VanDerWaalsContact CD1-CE 3.43Å; W19-K37 HydrophobicContact CD2-CD 4.28Å; W19-K37 HydrophobicContact CD2-CG 3.67Å; W19-K37 HydrophobicContact CE3-CG 3.65Å; W19-K37 VanDerWaalsContact CG-CE 3.45Å; W19-K37 HydrophobicContact CG-CG 4.39Å; W19-K37 HydrophobicContact CH2-CG 3.86Å; W19-K37 HydrophobicContact CZ2-CG 3.84Å; W19-K37 HydrophobicContact CZ3-CB 4.48Å; W19-K37 HydrophobicContact CZ3-CG 3.75Å; W19-Q318 HydrophobicContact CB-CG 4.3Å; W19-M320 HydrophobicContact CE3-CB 4.1Å; W19-M320 HydrophobicContact CE3-CE 3.98Å; W19-M320 HydrophobicContact CZ3-CB 3.69Å |
| 20 | E | 80.6 | Confident | 75.1 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | -179.1 | -75.2 | 172.2 | -168.4 | 0 | 0 | 112.5 | Q16 Q17 L22 M23 V24 | Q16-E20 WeakPolarHBondContact CG-OE1 3.39Å; Q16-E20 PolarHBondContact NE2-OE1 3.32Å; Q16-E20 WeakPolarHBondContact O-CG 3.36Å; Q16-E20 PolarHBondContact O-N 2.91Å; Q17-E20 PolarHBondContact O-N 3.47Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 3.08Å; E20-M23 PolarHBondContact O-N 3.41Å; E20-V24 VanDerWaalsContact O-CG2 3.32Å; E20-V24 WeakPolarHBondContact O-CG2 3.39Å; E20-V24 PolarHBondContact O-N 3.36Å |
| 21 | K | 80.3 | Confident | 75.3 | Confident | 93 Ų | 93 | 64 Ų | 64 | 40% | 0.404 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 174.6 | -76.9 | -179.5 | 174.9 | -170.5 | 0 | 111.6 | E12 Q17 V24 A25 | E12-K21 IonicContact OE1-NZ 3.53Å; E12-K21 PolarHBondContact OE1-NZ 3.28Å; E12-K21 IonicContact OE2-NZ 2.99Å; E12-K21 PolarHBondContact OE2-NZ 2.91Å; Q17-K21 WeakPolarHBondContact O-CB 3.37Å; Q17-K21 WeakPolarHBondContact O-CG 3.34Å; Q17-K21 PolarHBondContact O-N 2.97Å; K21-V24 PolarHBondContact O-N 2.89Å; K21-A25 PolarHBondContact O-N 3.41Å |
| 22 | L | 80.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 176.9 | -175.3 | 107.4 | 0 | 0 | 0 | 111.7 | T18 W19 E20 V24 A25 T26 M320 L322 L336 L339 Y340 | T18-L22 PolarHBondContact O-N 3.23Å; T18-L22 VanDerWaalsContact O-N 3.11Å; W19-L22 PolarHBondContact O-N 3.06Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 3.08Å; L22-V24 VanDerWaalsContact C-N 3.28Å; L22-V24 PolarHBondContact O-N 3.45Å; L22-A25 PolarHBondContact O-N 3.17Å; L22-T26 HydrophobicContact CG-CG2 4.26Å; L22-T26 WeakPolarHBondContact O-CB 3.31Å; L22-T26 PolarHBondContact O-N 3.47Å; L22-T26 PolarHBondContact O-OG1 3.05Å; L22-M320 HydrophobicContact CB-CE 3.89Å; L22-M320 HydrophobicContact CB-SD 4.22Å; L22-M320 HydrophobicContact CD1-CE 4.2Å; L22-M320 HydrophobicContact CD1-SD 3.42Å; L22-M320 WeakPolarHBondContact CD1-SD 3.35Å; L22-M320 HydrophobicContact CD2-CE 3.66Å; L22-M320 HydrophobicContact CD2-CG 4.49Å; L22-M320 HydrophobicContact CD2-SD 3.28Å; L22-M320 WeakPolarHBondContact CD2-SD 3.32Å; L22-M320 HydrophobicContact CG-CE 4.09Å; L22-M320 HydrophobicContact CG-SD 3.76Å; L22-L322 HydrophobicContact CD2-CD2 4.12Å; L22-L336 HydrophobicContact CD1-CD2 3.56Å; L22-L339 HydrophobicContact CD1-CD2 4.35Å; L22-Y340 HydrophobicContact CD1-CE2 3.91Å; L22-Y340 WeakPolarHBondContact CD1-OH 3.29Å |
| 23 | M | 80.4 | Confident | 76.3 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 16% | 0.163 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 177.9 | -79.9 | -64.1 | -67.1 | 0 | 0 | 112.7 | W19 E20 T27 R28 N35 | W19-M23 HydrophobicContact CD2-CG 4.19Å; W19-M23 HydrophobicContact CH2-SD 4.18Å; W19-M23 HydrophobicContact CZ2-CG 3.8Å; W19-M23 HydrophobicContact CZ2-SD 3.7Å; W19-M23 WeakPolarHBondContact O-CB 3.18Å; W19-M23 WeakPolarHBondContact O-CG 3.45Å; W19-M23 PolarHBondContact O-N 2.84Å; E20-M23 PolarHBondContact O-N 3.41Å; M23-T27 HydrophobicContact CE-CG2 4.16Å; M23-T27 PolarHBondContact O-N 3.03Å; M23-T27 VanDerWaalsContact O-N 3.12Å; M23-R28 PolarHBondContact O-N 2.91Å; M23-N35 HydrophobicContact SD-CB 3.62Å; M23-N35 PolarHBondContact SD-ND2 3.44Å; M23-N35 VanDerWaalsContact SD-ND2 3.39Å |
| 24 | V | 82.3 | Confident | 77.1 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -64.2 | -52.9 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | E20 K21 L22 T26 T29 | E20-V24 VanDerWaalsContact O-CG2 3.32Å; E20-V24 WeakPolarHBondContact O-CG2 3.39Å; E20-V24 PolarHBondContact O-N 3.36Å; K21-V24 PolarHBondContact O-N 2.89Å; L22-V24 VanDerWaalsContact C-N 3.28Å; L22-V24 PolarHBondContact O-N 3.45Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 PolarHBondContact O-N 3.03Å; V24-T29 VanDerWaalsContact O-CB 3.24Å; V24-T29 WeakPolarHBondContact O-CB 3.44Å; V24-T29 PolarHBondContact O-N 3.06Å; V24-T29 VanDerWaalsContact O-N 3.07Å; V24-T29 PolarHBondContact O-OG1 2.85Å |
| 25 | A | 76 | Confident | 77.7 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -63 | -37 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K21 L22 N30 V335 L339 | K21-A25 PolarHBondContact O-N 3.41Å; L22-A25 PolarHBondContact O-N 3.17Å; A25-N30 PolarHBondContact O-ND2 3.01Å; A25-V335 HydrophobicContact CB-CG1 3.84Å; A25-L339 HydrophobicContact CB-CD1 4.32Å |
| 26 | T | 77.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -101 | -56.1 | -169.6 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | L22 V24 N31 L32 N35 L322 L332 V335 L336 | L22-T26 HydrophobicContact CG-CG2 4.26Å; L22-T26 WeakPolarHBondContact O-CB 3.31Å; L22-T26 PolarHBondContact O-N 3.47Å; L22-T26 PolarHBondContact O-OG1 3.05Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 PolarHBondContact O-N 3.03Å; T26-N31 PolarHBondContact O-N 3.49Å; T26-L32 PolarHBondContact O-N 2.97Å; T26-N35 PolarHBondContact OG1-ND2 2.84Å; T26-L322 HydrophobicContact CG2-CD2 4.27Å; T26-L332 HydrophobicContact CG2-CD1 3.57Å; T26-V335 HydrophobicContact CG2-CG1 4.44Å; T26-L336 HydrophobicContact CG2-CD2 4.23Å |
| 27 | T | 74.8 | Confident | 78.5 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 20% | 0.202 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -89.8 | -51.9 | -172.6 | -52.2 | 0 | 0 | 0 | 0 | 112.1 | M23 N31 S33 N35 | M23-T27 HydrophobicContact CE-CG2 4.16Å; M23-T27 PolarHBondContact O-N 3.03Å; M23-T27 VanDerWaalsContact O-N 3.12Å; T27-N31 VanDerWaalsContact O-CA 3.28Å; T27-N31 WeakPolarHBondContact O-CA 3.37Å; T27-N31 PolarHBondContact O-N 3.29Å; T27-S33 PolarHBondContact OG1-O 2.87Å; T27-N35 PolarHBondContact OG1-ND2 3.18Å; T27-N35 VanDerWaalsContact OG1-ND2 3.1Å |
| 28 | R | 70.3 | Confident | 78.9 | Confident | 183 Ų | 183 | 48.6 Ų | 48.6 | 69% | 0.691 | 24% | 0.242 | S | C | * | . | I | π-helix | trans | -74.2 | -39.9 | -171 | -63.1 | -176.6 | 179.7 | 171.8 | 0.9 | 113.6 | M23 | M23-R28 PolarHBondContact O-N 2.91Å |
| 29 | T | 66.8 | Low | 79.1 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 56% | 0.564 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -31.9 | -175.7 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | V24 | V24-T29 VanDerWaalsContact O-CB 3.24Å; V24-T29 WeakPolarHBondContact O-CB 3.44Å; V24-T29 PolarHBondContact O-N 3.06Å; V24-T29 VanDerWaalsContact O-N 3.07Å; V24-T29 PolarHBondContact O-OG1 2.85Å |
| 30 | N | 69.3 | Low | 79.3 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -3.2 | -167 | -71.5 | -61.5 | 0 | 0 | 0 | 115.1 | A25 L32 K331 | A25-N30 PolarHBondContact O-ND2 3.01Å; N30-L32 HydrophobicContact CB-CD1 3.6Å; N30-L32 HydrophobicContact CB-CD2 3.85Å; N30-L32 HydrophobicContact CB-CG 3.41Å; N30-L32 VanDerWaalsContact CB-CG 3.41Å; N30-L32 PolarHBondContact O-N 2.93Å; N30-L32 VanDerWaalsContact O-N 3.16Å; N30-K331 PolarHBondContact OD1-NZ 3.37Å |
| 31 | N | 80.1 | Confident | 79.4 | Confident | 105 Ų | 105 | 49.6 Ų | 49.6 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | trans | 44.5 | 45.1 | -176.8 | -161.8 | 26.4 | 0 | 0 | 0 | 113.9 | T26 T27 N325 | T26-N31 PolarHBondContact O-N 3.49Å; T27-N31 VanDerWaalsContact O-CA 3.28Å; T27-N31 WeakPolarHBondContact O-CA 3.37Å; T27-N31 PolarHBondContact O-N 3.29Å; N31-N325 PolarHBondContact O-ND2 3.48Å | ||
| 32 | L | 78.1 | Confident | 79.4 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -83.4 | -27.6 | -173.1 | -58.5 | 173 | 0 | 0 | 0 | 112.6 | T26 N30 N325 N328 K331 L332 V335 | T26-L32 PolarHBondContact O-N 2.97Å; N30-L32 HydrophobicContact CB-CD1 3.6Å; N30-L32 HydrophobicContact CB-CD2 3.85Å; N30-L32 HydrophobicContact CB-CG 3.41Å; N30-L32 VanDerWaalsContact CB-CG 3.41Å; N30-L32 PolarHBondContact O-N 2.93Å; N30-L32 VanDerWaalsContact O-N 3.16Å; L32-N325 WeakPolarHBondContact O-CB 3.18Å; L32-N325 PolarHBondContact O-N 2.98Å; L32-N328 HydrophobicContact CD2-CB 3.8Å; L32-K331 HydrophobicContact CD1-CG 4.27Å; L32-K331 HydrophobicContact CD2-CB 4.31Å; L32-K331 HydrophobicContact CD2-CD 3.86Å; L32-K331 HydrophobicContact CD2-CG 4.09Å; L32-L332 HydrophobicContact CB-CB 4.26Å; L32-L332 HydrophobicContact CB-CD1 3.91Å; L32-L332 HydrophobicContact CD1-CD1 4.37Å; L32-V335 HydrophobicContact CD1-CB 4.46Å; L32-V335 HydrophobicContact CD1-CG2 3.95Å | ||
| 33 | S | 80.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 155 | -176.3 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | T27 N35 Q323 | T27-S33 PolarHBondContact OG1-O 2.87Å; S33-N35 WeakPolarHBondContact CB-OD1 3.33Å; S33-N35 PolarHBondContact OG-OD1 2.79Å; S33-Q323 WeakPolarHBondContact CA-O 3.27Å; S33-Q323 VanDerWaalsContact CB-O 3.3Å; S33-Q323 WeakPolarHBondContact CB-O 3.41Å |
| 34 | T | 81.7 | Confident | 79.6 | Confident | 64 Ų | 64 | 56.9 Ų | 56.9 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 125.1 | 164.1 | -51.1 | 0 | 0 | 0 | 0 | 108.5 | H36 Q323 | T34-H36 WeakPolarHBondContact CG2-NE2 3.37Å; T34-Q323 PolarHBondContact N-O 2.95Å; T34-Q323 PolarHBondContact O-N 3.12Å |
| 35 | N | 83.8 | Confident | 79.2 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.9 | -176 | -51.8 | -22.4 | 0 | 0 | 0 | 111 | W19 M23 T26 T27 S33 L321 L322 | W19-N35 HydrophobicContact CH2-CB 3.68Å; W19-N35 HydrophobicContact CZ2-CB 4.4Å; W19-N35 HydrophobicContact CZ3-CB 4.31Å; M23-N35 HydrophobicContact SD-CB 3.62Å; M23-N35 PolarHBondContact SD-ND2 3.44Å; M23-N35 VanDerWaalsContact SD-ND2 3.39Å; T26-N35 PolarHBondContact OG1-ND2 2.84Å; T27-N35 PolarHBondContact OG1-ND2 3.18Å; T27-N35 VanDerWaalsContact OG1-ND2 3.1Å; S33-N35 WeakPolarHBondContact CB-OD1 3.33Å; S33-N35 PolarHBondContact OG-OD1 2.79Å; N35-L321 CarbonylContact C-O 3.52Å; N35-L321 VanDerWaalsContact CA-O 3.31Å; N35-L321 WeakPolarHBondContact CA-O 3.49Å; N35-L322 VanDerWaalsContact OD1-CD2 3.23Å; N35-L322 WeakPolarHBondContact OD1-CD2 3.49Å; N35-L322 WeakPolarHBondContact OD1-CG 3.41Å |
| 36 | H | 84.6 | Confident | 79.2 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.9 | 173 | -60.2 | -79.4 | 0 | 0 | 0 | 110.4 | T34 L321 | T34-H36 WeakPolarHBondContact CG2-NE2 3.37Å; H36-L321 HydrophobicContact CB-CB 4.35Å; H36-L321 HydrophobicContact CB-CD2 4.46Å; H36-L321 PolarHBondContact N-O 2.5Å; H36-L321 PolarHBondContact O-N 3.16Å |
| 37 | K | 83.9 | Confident | 79.3 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 134 | 171.1 | -71.5 | -174.2 | 175.7 | -172.1 | 0 | 108.9 | W19 | W19-K37 VanDerWaalsContact CD1-CE 3.43Å; W19-K37 HydrophobicContact CD2-CD 4.28Å; W19-K37 HydrophobicContact CD2-CG 3.67Å; W19-K37 HydrophobicContact CE3-CG 3.65Å; W19-K37 VanDerWaalsContact CG-CE 3.45Å; W19-K37 HydrophobicContact CG-CG 4.39Å; W19-K37 HydrophobicContact CH2-CG 3.86Å; W19-K37 HydrophobicContact CZ2-CG 3.84Å; W19-K37 HydrophobicContact CZ3-CB 4.48Å; W19-K37 HydrophobicContact CZ3-CG 3.75Å |
| 38 | F | 85.5 | Confident | 79.5 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | trans | -107.5 | 103.8 | 176.8 | -167.8 | -93.5 | 0 | 0 | 0 | 108.5 | L6 I40 F105 I295 A299 A319 | L6-F38 HydrophobicContact CD1-CB 3.95Å; L6-F38 HydrophobicContact CD1-CD1 3.97Å; L6-F38 HydrophobicContact CD1-CD2 4.08Å; L6-F38 HydrophobicContact CD1-CE1 4.5Å; L6-F38 HydrophobicContact CD1-CG 3.73Å; L6-F38 HydrophobicContact CD2-CE1 4.38Å; L6-F38 HydrophobicContact CD2-CZ 4.41Å; F38-I40 HydrophobicContact CD1-CD1 3.79Å; F38-I40 HydrophobicContact CD1-CG1 3.51Å; F38-I40 HydrophobicContact CE1-CD1 3.89Å; F38-I40 HydrophobicContact CE1-CG1 3.68Å; F38-I40 PolarHBondContact O-N 2.69Å; F38-F105 HydrophobicContact CD1-CD1 4.19Å; F38-F105 HydrophobicContact CD1-CE1 4.46Å; F38-F105 HydrophobicContact CD2-CB 3.89Å; F38-F105 AromaticContact CD2-CD1 3.81Å; F38-F105 HydrophobicContact CD2-CD1 3.81Å; F38-F105 HydrophobicContact CD2-CG 4.08Å; F38-F105 AromaticContact CE1-CD1 3.67Å; F38-F105 HydrophobicContact CE1-CD1 3.67Å; F38-F105 AromaticContact CE1-CE1 3.65Å; F38-F105 HydrophobicContact CE1-CE1 3.65Å; F38-F105 HydrophobicContact CE2-CB 3.51Å; F38-F105 AromaticContact CE2-CD1 3.24Å; F38-F105 HydrophobicContact CE2-CD1 3.24Å; F38-F105 HydrophobicContact CE2-CD2 4.16Å; F38-F105 AromaticContact CE2-CE1 3.96Å; F38-F105 HydrophobicContact CE2-CE1 3.96Å; F38-F105 AromaticContact CE2-CG 3.34Å; F38-F105 HydrophobicContact CE2-CG 3.34Å; F38-F105 HydrophobicContact CG-CD1 4.25Å; F38-F105 HydrophobicContact CZ-CB 4.3Å; F38-F105 AromaticContact CZ-CD1 3.16Å; F38-F105 HydrophobicContact CZ-CD1 3.16Å; F38-F105 HydrophobicContact CZ-CD2 4.22Å; F38-F105 AromaticContact CZ-CE1 3.36Å; F38-F105 HydrophobicContact CZ-CE1 3.36Å; F38-F105 HydrophobicContact CZ-CE2 4.37Å; F38-F105 AromaticContact CZ-CG 3.62Å; F38-F105 HydrophobicContact CZ-CG 3.62Å; F38-F105 AromaticContact CZ-CZ 3.97Å; F38-F105 HydrophobicContact CZ-CZ 3.97Å; F38-I295 HydrophobicContact CE2-CG2 4.1Å; F38-I295 HydrophobicContact CZ-CG2 4.04Å; F38-A299 HydrophobicContact CE1-CB 3.57Å; F38-A299 HydrophobicContact CZ-CB 3.88Å; F38-A319 HydrophobicContact CB-CB 4.13Å; F38-A319 HydrophobicContact CD1-CB 4.2Å; F38-A319 PolarHBondContact N-O 2.78Å; F38-A319 VanDerWaalsContact N-O 3.16Å | ||
| 39 | N | 82.6 | Confident | 80 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | trans | -81.9 | 104.7 | -171.7 | -66.6 | -18.5 | 0 | 0 | 0 | 110.3 | ||||
| 40 | I | 84.1 | Confident | 80.7 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | trans | -102 | 124.5 | 173.1 | -54.2 | -176.5 | 0 | 0 | 0 | 107.5 | F38 A299 V302 F303 F317 A319 | F38-I40 HydrophobicContact CD1-CD1 3.79Å; F38-I40 HydrophobicContact CD1-CG1 3.51Å; F38-I40 HydrophobicContact CE1-CD1 3.89Å; F38-I40 HydrophobicContact CE1-CG1 3.68Å; F38-I40 PolarHBondContact O-N 2.69Å; I40-A299 HydrophobicContact CD1-CB 4.43Å; I40-V302 HydrophobicContact CD1-CB 4.13Å; I40-V302 HydrophobicContact CD1-CG1 3.87Å; I40-F303 HydrophobicContact CG2-CB 4.21Å; I40-F303 HydrophobicContact CG2-CD2 3.87Å; I40-F303 HydrophobicContact CG2-CG 4.45Å; I40-F317 HydrophobicContact CD1-CE2 4.13Å; I40-F317 HydrophobicContact CD1-CZ 4.44Å; I40-A319 HydrophobicContact CD1-CB 3.75Å; I40-A319 HydrophobicContact CG1-CB 4.19Å | ||
| 41 | P | 84 | Confident | 81.4 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 16% | 0.156 | 33% | 0.329 | C | S | . | . | trans | -72.9 | 165.3 | 177.2 | 32 | -36.1 | 0 | 0 | 0 | 111.4 | L43 W107 M109 I114 | P41-L43 HydrophobicContact CG-CD2 4.25Å; P41-L43 HydrophobicContact CG-CG 4.48Å; P41-L43 PolarHBondContact O-N 3.42Å; P41-L43 VanDerWaalsContact O-N 3.1Å; P41-W107 HydrophobicContact CG-CB 3.8Å; P41-W107 HydrophobicContact CG-CD2 3.74Å; P41-W107 HydrophobicContact CG-CE3 4.29Å; P41-W107 HydrophobicContact CG-CG 3.48Å; P41-W107 VanDerWaalsContact CG-CG 3.48Å; P41-M109 HydrophobicContact CB-CE 4.44Å; P41-I114 HydrophobicContact CB-CG2 3.92Å; P41-I114 HydrophobicContact CG-CG2 3.71Å | ||
| 42 | D | 80.4 | Confident | 81.6 | Confident | 133 Ų | 133 | 58.6 Ų | 58.6 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | trans | -68.6 | 109 | 170.9 | -63.7 | -37.1 | 0 | 0 | 0 | 109.9 | ||||
| 43 | L | 83.5 | Confident | 81.9 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | trans | -96.4 | 150.6 | 178 | -61.9 | 166 | 0 | 0 | 0 | 110.3 | P41 V45 W107 I114 L118 I121 L300 F303 | P41-L43 HydrophobicContact CG-CD2 4.25Å; P41-L43 HydrophobicContact CG-CG 4.48Å; P41-L43 PolarHBondContact O-N 3.42Å; P41-L43 VanDerWaalsContact O-N 3.1Å; L43-V45 PolarHBondContact O-N 3.43Å; L43-W107 HydrophobicContact CD1-CH2 4.17Å; L43-W107 HydrophobicContact CD1-CZ3 4.44Å; L43-W107 HydrophobicContact CD2-CH2 4.35Å; L43-W107 HydrophobicContact CD2-CZ2 3.92Å; L43-I114 HydrophobicContact CD2-CB 4.24Å; L43-I114 HydrophobicContact CD2-CG2 4.02Å; L43-L118 HydrophobicContact CB-CD2 3.61Å; L43-L118 HydrophobicContact CD1-CD2 3.71Å; L43-L118 HydrophobicContact CG-CD2 4.2Å; L43-I121 HydrophobicContact CD2-CD1 4.28Å; L43-L300 HydrophobicContact CD1-CD2 3.55Å; L43-F303 HydrophobicContact CB-CD1 4.35Å; L43-F303 HydrophobicContact CB-CE1 3.89Å; L43-F303 HydrophobicContact CB-CE2 4.1Å; L43-F303 HydrophobicContact CB-CZ 3.77Å; L43-F303 HydrophobicContact CD1-CB 4.38Å; L43-F303 HydrophobicContact CD1-CD1 4.14Å; L43-F303 HydrophobicContact CD1-CD2 4.14Å; L43-F303 HydrophobicContact CD1-CG 3.96Å; L43-F303 HydrophobicContact CG-CE2 4.49Å | ||
| 44 | K | 80.4 | Confident | 82.1 | Confident | 136 Ų | 136 | 60.5 Ų | 60.5 | 59% | 0.591 | 34% | 0.344 | S | S | * | . | B | Isolated β-bridge | trans | -67.5 | 107.6 | -179.1 | -170.3 | 177.8 | -178.4 | 179.9 | 0 | 111.1 | ||
| 45 | V | 75.3 | Confident | 82.3 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 26% | 0.255 | 33% | 0.333 | S | S | . | . | trans | -77.1 | 134 | 177.2 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | L43 L51 F303 V307 V315 | L43-V45 PolarHBondContact O-N 3.43Å; V45-L51 HydrophobicContact CG1-CD1 3.73Å; V45-L51 HydrophobicContact CG1-CD2 4.42Å; V45-L51 HydrophobicContact CG1-CG 4.47Å; V45-F303 HydrophobicContact CG2-CE1 3.95Å; V45-F303 HydrophobicContact CG2-CZ 3.81Å; V45-V307 HydrophobicContact CG1-CG1 3.98Å; V45-V315 HydrophobicContact CG2-CG2 4.15Å | ||
| 46 | G | 75.1 | Confident | 82.5 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | trans | -90.7 | -153.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 47 | T | 80.7 | Confident | 82.7 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 53% | 0.534 | 36% | 0.364 | S | S | . | . | trans | -75.6 | 156.2 | 169.5 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | D49 V50 L51 | T47-D49 VanDerWaalsContact C-N 3.26Å; T47-D49 PolarHBondContact O-N 3.34Å; T47-V50 PolarHBondContact O-N 2.9Å; T47-V50 VanDerWaalsContact OG1-CG2 3.25Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.49Å; T47-V50 PolarHBondContact OG1-N 2.89Å; T47-L51 WeakPolarHBondContact O-CG 3.45Å; T47-L51 PolarHBondContact O-N 2.89Å; T47-L51 VanDerWaalsContact O-N 3.1Å | ||
| 48 | L | 79 | Confident | 83 | Confident | 123 Ų | 123 | 61.2 Ų | 61.2 | 64% | 0.644 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.8 | -41.2 | 176.8 | -69.3 | 174.1 | 0 | 0 | 0 | 112.1 | V50 L51 V52 | L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.14Å; L48-L51 HydrophobicContact CD2-CD1 4.41Å; L48-L51 WeakPolarHBondContact O-CB 3.49Å; L48-L51 PolarHBondContact O-N 2.88Å; L48-L51 VanDerWaalsContact O-N 3.09Å; L48-V52 WeakPolarHBondContact O-CG2 3.26Å; L48-V52 PolarHBondContact O-N 3.48Å |
| 49 | D | 79.7 | Confident | 83.2 | Confident | 134 Ų | 134 | 62.3 Ų | 62.3 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.2 | -44.9 | 176.7 | -176.3 | 48.6 | 0 | 0 | 0 | 112.4 | T47 L51 V52 G53 | T47-D49 VanDerWaalsContact C-N 3.26Å; T47-D49 PolarHBondContact O-N 3.34Å; D49-L51 VanDerWaalsContact C-N 3.32Å; D49-L51 PolarHBondContact O-N 2.78Å; D49-V52 PolarHBondContact O-N 2.82Å; D49-G53 PolarHBondContact O-N 2.91Å |
| 50 | V | 82.9 | Confident | 83.7 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | T47 L48 L54 | T47-V50 PolarHBondContact O-N 2.9Å; T47-V50 VanDerWaalsContact OG1-CG2 3.25Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.49Å; T47-V50 PolarHBondContact OG1-N 2.89Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.14Å; V50-L54 WeakPolarHBondContact O-CB 3.16Å; V50-L54 PolarHBondContact O-N 2.87Å |
| 51 | L | 82.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.8 | -40 | 177.9 | -67.7 | 176.9 | 0 | 0 | 0 | 112.1 | V45 T47 L48 D49 L54 S55 L118 V304 V307 L308 | V45-L51 HydrophobicContact CG1-CD1 3.73Å; V45-L51 HydrophobicContact CG1-CD2 4.42Å; V45-L51 HydrophobicContact CG1-CG 4.47Å; T47-L51 WeakPolarHBondContact O-CG 3.45Å; T47-L51 PolarHBondContact O-N 2.89Å; T47-L51 VanDerWaalsContact O-N 3.1Å; L48-L51 HydrophobicContact CD2-CD1 4.41Å; L48-L51 WeakPolarHBondContact O-CB 3.49Å; L48-L51 PolarHBondContact O-N 2.88Å; L48-L51 VanDerWaalsContact O-N 3.09Å; D49-L51 VanDerWaalsContact C-N 3.32Å; D49-L51 PolarHBondContact O-N 2.78Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-S55 PolarHBondContact O-N 3.45Å; L51-L118 HydrophobicContact CD2-CD1 3.68Å; L51-V304 HydrophobicContact CB-CG1 4.4Å; L51-V304 HydrophobicContact CD2-CG1 4.42Å; L51-V304 HydrophobicContact CD2-CG2 4.3Å; L51-V307 HydrophobicContact CD1-CB 4.36Å; L51-V307 HydrophobicContact CD1-CG1 3.56Å; L51-L308 HydrophobicContact CB-CD1 4.21Å; L51-L308 HydrophobicContact CB-CD2 3.56Å; L51-L308 HydrophobicContact CB-CG 3.93Å; L51-L308 HydrophobicContact CD1-CD2 4.26Å |
| 52 | V | 84.2 | Confident | 84.5 | Confident | 81 Ų | 81 | 64 Ų | 64 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60 | -50.7 | 177 | 173.3 | 0 | 0 | 0 | 0 | 110 | L48 D49 L54 S55 L308 | L48-V52 WeakPolarHBondContact O-CG2 3.26Å; L48-V52 PolarHBondContact O-N 3.48Å; D49-V52 PolarHBondContact O-N 2.82Å; V52-L54 VanDerWaalsContact C-N 3.31Å; V52-L54 PolarHBondContact O-N 3.14Å; V52-S55 WeakPolarHBondContact O-CB 2.91Å; V52-S55 PolarHBondContact O-N 3.43Å; V52-L308 HydrophobicContact CG2-CD2 3.86Å |
| 53 | G | 84.6 | Confident | 85.1 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | D49 S55 D56 E57 | D49-G53 PolarHBondContact O-N 2.91Å; G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 3.09Å; G53-D56 PolarHBondContact O-N 2.74Å; G53-E57 WeakPolarHBondContact O-CG 3.24Å; G53-E57 PolarHBondContact O-N 2.81Å |
| 54 | L | 86.6 | Confident | 85.6 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67 | -31.6 | 178.5 | -174.1 | 66.8 | 0 | 0 | 0 | 112.8 | V50 L51 V52 D56 E57 L58 L118 V304 | V50-L54 WeakPolarHBondContact O-CB 3.16Å; V50-L54 PolarHBondContact O-N 2.87Å; L51-L54 PolarHBondContact O-N 2.93Å; V52-L54 VanDerWaalsContact C-N 3.31Å; V52-L54 PolarHBondContact O-N 3.14Å; L54-D56 PolarHBondContact O-N 2.94Å; L54-E57 PolarHBondContact O-N 3.21Å; L54-L58 HydrophobicContact CD1-CD1 4.43Å; L54-L58 HydrophobicContact CD1-CG 4.12Å; L54-L58 HydrophobicContact CD2-CD1 4.22Å; L54-L58 HydrophobicContact CG-CD1 3.83Å; L54-L58 HydrophobicContact CG-CG 4Å; L54-L58 VanDerWaalsContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CB 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 2.81Å; L54-L118 HydrophobicContact CD2-CB 3.43Å; L54-L118 VanDerWaalsContact CD2-CB 3.43Å; L54-L118 HydrophobicContact CD2-CD1 4.07Å; L54-L118 HydrophobicContact CD2-CG 4.38Å; L54-V304 HydrophobicContact CD2-CG2 3.98Å |
| 55 | S | 85.6 | Confident | 86.2 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 16% | 0.161 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 177.4 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | L51 V52 G53 L58 A59 | L51-S55 PolarHBondContact O-N 3.45Å; V52-S55 WeakPolarHBondContact O-CB 2.91Å; V52-S55 PolarHBondContact O-N 3.43Å; G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 3.09Å; S55-L58 PolarHBondContact O-N 2.92Å; S55-A59 PolarHBondContact O-N 3.45Å |
| 56 | D | 86.6 | Confident | 87 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 55% | 0.551 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | 178.3 | -71.5 | -17.7 | 0 | 0 | 0 | 112.1 | G53 L54 A59 K60 | G53-D56 PolarHBondContact O-N 2.74Å; L54-D56 PolarHBondContact O-N 2.94Å; D56-A59 PolarHBondContact O-N 2.8Å; D56-K60 WeakPolarHBondContact O-CG 3.02Å; D56-K60 PolarHBondContact O-N 3.22Å; D56-K60 VanDerWaalsContact O-N 3.15Å |
| 57 | E | 89.5 | Confident | 87.8 | Confident | 99 Ų | 99 | 59.3 Ų | 59.3 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 175.8 | -72.5 | -179.1 | 178.4 | 0 | 0 | 111.7 | G53 L54 A59 K60 L61 | G53-E57 WeakPolarHBondContact O-CG 3.24Å; G53-E57 PolarHBondContact O-N 2.81Å; L54-E57 PolarHBondContact O-N 3.21Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.37Å; E57-K60 PolarHBondContact O-N 3.45Å; E57-L61 WeakPolarHBondContact O-CB 3.27Å; E57-L61 PolarHBondContact O-N 3.2Å |
| 58 | L | 90.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.7 | -33.8 | 177.7 | -73 | 173.2 | 0 | 0 | 0 | 111.9 | L54 S55 L61 D62 I297 L300 R301 V304 | L54-L58 HydrophobicContact CD1-CD1 4.43Å; L54-L58 HydrophobicContact CD1-CG 4.12Å; L54-L58 HydrophobicContact CD2-CD1 4.22Å; L54-L58 HydrophobicContact CG-CD1 3.83Å; L54-L58 HydrophobicContact CG-CG 4Å; L54-L58 VanDerWaalsContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CB 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 2.81Å; S55-L58 PolarHBondContact O-N 2.92Å; L58-L61 PolarHBondContact O-N 3.34Å; L58-D62 VanDerWaalsContact O-CB 3.27Å; L58-D62 WeakPolarHBondContact O-CB 2.98Å; L58-D62 PolarHBondContact O-N 3.43Å; L58-I297 HydrophobicContact CD2-CD1 3.86Å; L58-L300 HydrophobicContact CD1-CB 4.1Å; L58-L300 HydrophobicContact CD2-CB 4.22Å; L58-L300 HydrophobicContact CD2-CD1 4.33Å; L58-R301 HydrophobicContact CB-CG 3.65Å; L58-R301 HydrophobicContact CD1-CG 4.36Å; L58-V304 HydrophobicContact CD1-CB 4.33Å; L58-V304 HydrophobicContact CD1-CG2 3.83Å |
| 59 | A | 89.6 | Confident | 89.1 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 22% | 0.223 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S55 D56 E57 T63 R301 | S55-A59 PolarHBondContact O-N 3.45Å; D56-A59 PolarHBondContact O-N 2.8Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.37Å; A59-T63 PolarHBondContact O-N 2.88Å; A59-T63 PolarHBondContact O-OG1 3.3Å; A59-R301 VanDerWaalsContact CA-CZ 3.49Å; A59-R301 VanDerWaalsContact CB-NH2 3.34Å |
| 60 | K | 92.6 | Very high | 89.6 | Confident | 156 Ų | 156 | 47.1 Ų | 47.1 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.8 | -43.8 | 174.1 | -68.9 | 172.5 | -174.2 | 170.4 | 0 | 111 | D56 E57 T63 F64 | D56-K60 WeakPolarHBondContact O-CG 3.02Å; D56-K60 PolarHBondContact O-N 3.22Å; D56-K60 VanDerWaalsContact O-N 3.15Å; E57-K60 PolarHBondContact O-N 3.45Å; K60-T63 PolarHBondContact O-N 3.3Å; K60-F64 WeakPolarHBondContact O-CB 3.5Å; K60-F64 PolarHBondContact O-N 3.14Å |
| 61 | L | 93 | Very high | 90 | Very high | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 179.6 | -175.8 | 52.7 | 0 | 0 | 0 | 111.3 | E57 L58 T63 F64 V65 S122 I297 | E57-L61 WeakPolarHBondContact O-CB 3.27Å; E57-L61 PolarHBondContact O-N 3.2Å; L58-L61 PolarHBondContact O-N 3.34Å; L61-T63 PolarHBondContact O-N 2.89Å; L61-F64 HydrophobicContact CD1-CD1 4.2Å; L61-F64 WeakPolarHBondContact O-CB 3.4Å; L61-F64 PolarHBondContact O-N 3.49Å; L61-F64 VanDerWaalsContact O-N 3.16Å; L61-V65 HydrophobicContact CD1-CG2 3.86Å; L61-V65 HydrophobicContact CG-CG2 4.16Å; L61-V65 WeakPolarHBondContact O-CG2 3.38Å; L61-V65 PolarHBondContact O-N 3.39Å; L61-S122 WeakPolarHBondContact CD2-O 3.45Å; L61-I297 HydrophobicContact CD2-CD1 3.42Å; L61-I297 VanDerWaalsContact CD2-CD1 3.42Å; L61-I297 HydrophobicContact CD2-CG1 4.35Å; L61-I297 HydrophobicContact CG-CD1 3.88Å; L61-I297 HydrophobicContact CG-CG1 4.36Å |
| 62 | D | 91.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 176 | -177.4 | 41.3 | 0 | 0 | 0 | 112.1 | L58 F64 V65 E66 W294 I297 K298 R301 | L58-D62 VanDerWaalsContact O-CB 3.27Å; L58-D62 WeakPolarHBondContact O-CB 2.98Å; L58-D62 PolarHBondContact O-N 3.43Å; D62-F64 VanDerWaalsContact C-N 3.32Å; D62-F64 PolarHBondContact O-N 2.9Å; D62-V65 PolarHBondContact O-N 3.14Å; D62-E66 WeakPolarHBondContact O-CB 3.44Å; D62-E66 PolarHBondContact O-N 3.41Å; D62-W294 VanDerWaalsContact OD1-CD1 3.22Å; D62-W294 PolarHBondContact OD1-NE1 2.76Å; D62-I297 HydrophobicContact CB-CG2 3.7Å; D62-K298 VanDerWaalsContact CG-NZ 3.3Å; D62-K298 IonicContact OD1-NZ 2.78Å; D62-K298 PolarHBondContact OD1-NZ 2.98Å; D62-K298 IonicContact OD2-NZ 3.35Å; D62-K298 PolarHBondContact OD2-NZ 3.43Å; D62-R301 IonicContact OD2-CZ 3.98Å; D62-R301 IonicContact OD2-NH1 3.06Å; D62-R301 PolarHBondContact OD2-NH1 2.86Å |
| 63 | T | 92.6 | Very high | 90.6 | Very high | 92 Ų | 92 | 44.1 Ų | 44.1 | 56% | 0.564 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.3 | -42.8 | 176.1 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | A59 K60 L61 S67 | A59-T63 PolarHBondContact O-N 2.88Å; A59-T63 PolarHBondContact O-OG1 3.3Å; K60-T63 PolarHBondContact O-N 3.3Å; L61-T63 PolarHBondContact O-N 2.89Å; T63-S67 PolarHBondContact O-N 2.97Å; T63-S67 VanDerWaalsContact O-N 3.08Å |
| 64 | F | 94 | Very high | 90.8 | Very high | 66 Ų | 66 | 46.3 Ų | 46.3 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -49.3 | 176.7 | 174.2 | -114.6 | 0 | 0 | 0 | 111.8 | K60 L61 D62 E66 S67 V68 V129 | K60-F64 WeakPolarHBondContact O-CB 3.5Å; K60-F64 PolarHBondContact O-N 3.14Å; L61-F64 HydrophobicContact CD1-CD1 4.2Å; L61-F64 WeakPolarHBondContact O-CB 3.4Å; L61-F64 PolarHBondContact O-N 3.49Å; L61-F64 VanDerWaalsContact O-N 3.16Å; D62-F64 VanDerWaalsContact C-N 3.32Å; D62-F64 PolarHBondContact O-N 2.9Å; F64-E66 VanDerWaalsContact C-N 3.35Å; F64-E66 PolarHBondContact O-N 3.42Å; F64-S67 WeakPolarHBondContact O-CB 3.42Å; F64-S67 PolarHBondContact O-N 2.84Å; F64-S67 VanDerWaalsContact O-N 3.13Å; F64-S67 PolarHBondContact O-OG 3.39Å; F64-V68 HydrophobicContact CD2-CG2 4.29Å; F64-V68 HydrophobicContact CE1-CG2 4.32Å; F64-V68 HydrophobicContact CE2-CG2 3.84Å; F64-V68 HydrophobicContact CZ-CG2 3.86Å; F64-V68 WeakPolarHBondContact O-CG2 3.45Å; F64-V68 PolarHBondContact O-N 2.68Å; F64-V129 HydrophobicContact CD1-CG1 4.17Å; F64-V129 HydrophobicContact CE1-CB 4.38Å; F64-V129 HydrophobicContact CE1-CG1 3.78Å; F64-V129 HydrophobicContact CZ-CG1 4.49Å |
| 65 | V | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 180 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | L61 D62 S67 V68 V69 V125 V129 W294 | L61-V65 HydrophobicContact CD1-CG2 3.86Å; L61-V65 HydrophobicContact CG-CG2 4.16Å; L61-V65 WeakPolarHBondContact O-CG2 3.38Å; L61-V65 PolarHBondContact O-N 3.39Å; D62-V65 PolarHBondContact O-N 3.14Å; V65-S67 VanDerWaalsContact C-N 3.29Å; V65-S67 PolarHBondContact O-N 3.14Å; V65-V68 PolarHBondContact O-N 3.32Å; V65-V68 VanDerWaalsContact O-N 3.15Å; V65-V69 HydrophobicContact CG1-CG2 4.25Å; V65-V69 WeakPolarHBondContact O-CG2 3.4Å; V65-V69 PolarHBondContact O-N 2.82Å; V65-V125 HydrophobicContact CG2-CG1 4.41Å; V65-V129 HydrophobicContact CB-CG1 4.33Å; V65-V129 HydrophobicContact CB-CG2 4.5Å; V65-V129 HydrophobicContact CG1-CG1 4.23Å; V65-V129 HydrophobicContact CG1-CG2 3.94Å; V65-V129 HydrophobicContact CG2-CB 4.27Å; V65-V129 HydrophobicContact CG2-CG1 4.03Å; V65-V129 HydrophobicContact CG2-CG2 3.87Å; V65-W294 HydrophobicContact CG1-CB 3.68Å; V65-W294 HydrophobicContact CG1-CG 4.17Å |
| 66 | E | 91.8 | Very high | 91.1 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.6 | -45.5 | 174.3 | -175.4 | 175.4 | 162 | 0 | 0 | 111.6 | D62 F64 V68 V69 K70 W294 | D62-E66 WeakPolarHBondContact O-CB 3.44Å; D62-E66 PolarHBondContact O-N 3.41Å; F64-E66 VanDerWaalsContact C-N 3.35Å; F64-E66 PolarHBondContact O-N 3.42Å; E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.06Å; E66-V69 PolarHBondContact O-N 3.11Å; E66-K70 HydrophobicContact CG-CD 4.32Å; E66-K70 WeakPolarHBondContact O-CG 3.23Å; E66-K70 PolarHBondContact O-N 2.81Å; E66-K70 WeakPolarHBondContact OE1-CE 3.46Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 3.41Å; E66-W294 HydrophobicContact CB-CZ2 3.92Å; E66-W294 HydrophobicContact CG-CH2 4.23Å; E66-W294 HydrophobicContact CG-CZ2 3.57Å |
| 67 | S | 92.9 | Very high | 91 | Very high | 61 Ų | 61 | 41 Ų | 41 | 43% | 0.427 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 178.5 | 80.8 | 0 | 0 | 0 | 0 | 112.3 | T63 F64 V65 K71 | T63-S67 PolarHBondContact O-N 2.97Å; T63-S67 VanDerWaalsContact O-N 3.08Å; F64-S67 WeakPolarHBondContact O-CB 3.42Å; F64-S67 PolarHBondContact O-N 2.84Å; F64-S67 VanDerWaalsContact O-N 3.13Å; F64-S67 PolarHBondContact O-OG 3.39Å; V65-S67 VanDerWaalsContact C-N 3.29Å; V65-S67 PolarHBondContact O-N 3.14Å; S67-K71 VanDerWaalsContact O-CB 3.26Å; S67-K71 WeakPolarHBondContact O-CB 3.47Å; S67-K71 PolarHBondContact O-N 2.83Å |
| 68 | V | 93.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.9 | -44.7 | 178 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | F64 V65 E66 K70 K71 V72 V129 I132 D133 | F64-V68 HydrophobicContact CD2-CG2 4.29Å; F64-V68 HydrophobicContact CE1-CG2 4.32Å; F64-V68 HydrophobicContact CE2-CG2 3.84Å; F64-V68 HydrophobicContact CZ-CG2 3.86Å; F64-V68 WeakPolarHBondContact O-CG2 3.45Å; F64-V68 PolarHBondContact O-N 2.68Å; V65-V68 PolarHBondContact O-N 3.32Å; V65-V68 VanDerWaalsContact O-N 3.15Å; E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.06Å; V68-K70 PolarHBondContact O-N 3.04Å; V68-K71 WeakPolarHBondContact O-CB 2.82Å; V68-K71 PolarHBondContact O-N 3.45Å; V68-V72 HydrophobicContact CG1-CG2 4.32Å; V68-V72 VanDerWaalsContact O-CG2 3.29Å; V68-V72 WeakPolarHBondContact O-CG2 3.14Å; V68-V72 PolarHBondContact O-N 3.46Å; V68-V129 HydrophobicContact CB-CG1 3.93Å; V68-V129 HydrophobicContact CG1-CG1 4.04Å; V68-V129 HydrophobicContact CG2-CG1 3.89Å; V68-I132 HydrophobicContact CG1-CG2 4.21Å; V68-D133 HydrophobicContact CG1-CB 4.15Å; V68-D133 HydrophobicContact CG2-CB 3.88Å |
| 69 | V | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.5 | -47.5 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | V65 E66 K71 V72 A73 F287 A290 F291 W294 L378 | V65-V69 HydrophobicContact CG1-CG2 4.25Å; V65-V69 WeakPolarHBondContact O-CG2 3.4Å; V65-V69 PolarHBondContact O-N 2.82Å; E66-V69 PolarHBondContact O-N 3.11Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 3.31Å; V69-V72 PolarHBondContact O-N 2.89Å; V69-A73 WeakPolarHBondContact O-CB 3.42Å; V69-A73 PolarHBondContact O-N 2.85Å; V69-F287 HydrophobicContact CG1-CD2 4.37Å; V69-F287 HydrophobicContact CG1-CE2 3.76Å; V69-A290 HydrophobicContact CG2-CB 3.69Å; V69-F291 HydrophobicContact CG1-CD2 4.2Å; V69-W294 HydrophobicContact CG2-CB 4.4Å; V69-L378 HydrophobicContact CG1-CD1 3.9Å; V69-L378 HydrophobicContact CG1-CD2 3.81Å; V69-L378 HydrophobicContact CG1-CG 4.5Å |
| 70 | K | 90.7 | Very high | 90.3 | Very high | 86 Ų | 86 | 39.3 Ų | 39.3 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.7 | -73.5 | -179 | -176.6 | 174.6 | 0 | 112 | E66 V68 A73 Q74 L378 | E66-K70 HydrophobicContact CG-CD 4.32Å; E66-K70 WeakPolarHBondContact O-CG 3.23Å; E66-K70 PolarHBondContact O-N 2.81Å; E66-K70 WeakPolarHBondContact OE1-CE 3.46Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 3.41Å; V68-K70 PolarHBondContact O-N 3.04Å; K70-A73 PolarHBondContact O-N 2.93Å; K70-Q74 WeakPolarHBondContact O-CB 3.38Å; K70-Q74 PolarHBondContact O-N 2.96Å; K70-L378 HydrophobicContact CG-CD2 4.18Å |
| 71 | K | 91.4 | Very high | 89.4 | Confident | 92 Ų | 92 | 36.5 Ų | 36.5 | 40% | 0.4 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 178 | -166 | -174.7 | -157.5 | 174.7 | 0 | 112.6 | S67 V68 V69 Y75 D133 L136 | S67-K71 VanDerWaalsContact O-CB 3.26Å; S67-K71 WeakPolarHBondContact O-CB 3.47Å; S67-K71 PolarHBondContact O-N 2.83Å; V68-K71 WeakPolarHBondContact O-CB 2.82Å; V68-K71 PolarHBondContact O-N 3.45Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 3.31Å; K71-Y75 WeakPolarHBondContact O-CB 3.31Å; K71-Y75 PolarHBondContact O-N 3.41Å; K71-D133 IonicContact NZ-OD1 3.88Å; K71-D133 PolarHBondContact NZ-OD1 3.05Å; K71-L136 HydrophobicContact CB-CD2 4.45Å; K71-L136 HydrophobicContact CD-CD2 4.07Å; K71-L136 HydrophobicContact CG-CD2 4.01Å |
| 72 | V | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | V68 V69 Y75 M76 I132 L136 L283 F287 | V68-V72 HydrophobicContact CG1-CG2 4.32Å; V68-V72 VanDerWaalsContact O-CG2 3.29Å; V68-V72 WeakPolarHBondContact O-CG2 3.14Å; V68-V72 PolarHBondContact O-N 3.46Å; V69-V72 PolarHBondContact O-N 2.89Å; V72-Y75 PolarHBondContact O-N 3.14Å; V72-M76 WeakPolarHBondContact O-CB 3.34Å; V72-M76 PolarHBondContact O-N 2.89Å; V72-I132 HydrophobicContact CG2-CG2 4.32Å; V72-L136 HydrophobicContact CG2-CD2 3.76Å; V72-L283 HydrophobicContact CG1-CD2 4.2Å; V72-F287 HydrophobicContact CB-CD2 4.42Å; V72-F287 HydrophobicContact CG1-CB 3.73Å; V72-F287 HydrophobicContact CG1-CD2 4.12Å; V72-F287 HydrophobicContact CG1-CG 4.42Å |
| 73 | A | 88.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | V69 K70 Y75 M76 G77 L91 F287 L378 L379 | V69-A73 WeakPolarHBondContact O-CB 3.42Å; V69-A73 PolarHBondContact O-N 2.85Å; K70-A73 PolarHBondContact O-N 2.93Å; A73-Y75 PolarHBondContact O-N 2.81Å; A73-M76 WeakPolarHBondContact O-CB 3.4Å; A73-M76 PolarHBondContact O-N 3.42Å; A73-G77 PolarHBondContact O-N 2.97Å; A73-L91 HydrophobicContact CB-CD1 4.09Å; A73-L91 HydrophobicContact CB-CD2 4.29Å; A73-F287 HydrophobicContact CB-CD2 4.37Å; A73-F287 HydrophobicContact CB-CE2 3.94Å; A73-L378 HydrophobicContact CB-CB 4.06Å; A73-L379 HydrophobicContact CB-CD2 3.96Å; A73-L379 HydrophobicContact CB-CG 4.5Å |
| 74 | Q | 88.8 | Confident | 86.3 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 177.6 | -176.4 | 59 | 46.5 | 0 | 0 | 111.1 | K70 M76 G77 D78 | K70-Q74 WeakPolarHBondContact O-CB 3.38Å; K70-Q74 PolarHBondContact O-N 2.96Å; Q74-M76 VanDerWaalsContact C-N 3.29Å; Q74-M76 PolarHBondContact O-N 3.45Å; Q74-G77 CarbonylContact O-C 3.57Å; Q74-G77 WeakPolarHBondContact O-CA 3.17Å; Q74-G77 PolarHBondContact O-N 2.94Å; Q74-D78 PolarHBondContact NE2-OD1 3.33Å; Q74-D78 PolarHBondContact O-N 3.28Å |
| 75 | Y | 89.6 | Confident | 85 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -34.3 | 179.3 | -170.7 | -112.3 | 0 | 0 | 0 | 112.5 | K71 V72 A73 G77 D78 V79 L136 A140 N144 L279 L283 | K71-Y75 WeakPolarHBondContact O-CB 3.31Å; K71-Y75 PolarHBondContact O-N 3.41Å; V72-Y75 PolarHBondContact O-N 3.14Å; A73-Y75 PolarHBondContact O-N 2.81Å; Y75-G77 VanDerWaalsContact C-N 3.27Å; Y75-G77 PolarHBondContact O-N 2.78Å; Y75-D78 PolarHBondContact O-N 3.49Å; Y75-V79 HydrophobicContact CD1-CG2 4.02Å; Y75-V79 HydrophobicContact CE1-CG2 3.56Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 HydrophobicContact CG-CG2 4.47Å; Y75-V79 WeakPolarHBondContact O-CB 3.37Å; Y75-V79 VanDerWaalsContact O-CG2 3.3Å; Y75-V79 WeakPolarHBondContact O-CG2 3.31Å; Y75-V79 PolarHBondContact O-N 2.88Å; Y75-L136 HydrophobicContact CD1-CD1 3.68Å; Y75-L136 HydrophobicContact CE1-CD1 4.36Å; Y75-L136 HydrophobicContact CG-CD1 4.26Å; Y75-A140 HydrophobicContact CD1-CB 4.39Å; Y75-A140 HydrophobicContact CD2-CB 4.32Å; Y75-A140 HydrophobicContact CE1-CB 3.8Å; Y75-A140 HydrophobicContact CE2-CB 3.74Å; Y75-A140 VanDerWaalsContact CZ-CB 3.46Å; Y75-A140 VanDerWaalsContact OH-CA 3.31Å; Y75-A140 WeakPolarHBondContact OH-CA 3.4Å; Y75-N144 PolarHBondContact OH-OD1 3.29Å; Y75-L279 HydrophobicContact CE1-CD1 4.5Å; Y75-L279 HydrophobicContact CE1-CD2 4.38Å; Y75-L283 HydrophobicContact CD1-CD1 3.92Å; Y75-L283 HydrophobicContact CD1-CD2 3.84Å; Y75-L283 HydrophobicContact CE1-CD1 4.17Å; Y75-L283 HydrophobicContact CE1-CD2 4.45Å |
| 76 | M | 87.6 | Confident | 83.9 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 170.6 | -171.4 | 70.9 | -171.5 | 0 | 0 | 111.5 | V72 A73 Q74 L80 N90 L91 V280 L283 K284 | V72-M76 WeakPolarHBondContact O-CB 3.34Å; V72-M76 PolarHBondContact O-N 2.89Å; A73-M76 WeakPolarHBondContact O-CB 3.4Å; A73-M76 PolarHBondContact O-N 3.42Å; Q74-M76 VanDerWaalsContact C-N 3.29Å; Q74-M76 PolarHBondContact O-N 3.45Å; M76-L80 HydrophobicContact CE-CD1 3.37Å; M76-L80 HydrophobicContact CE-CG 4.1Å; M76-L80 HydrophobicContact CG-CD1 4.23Å; M76-L80 WeakPolarHBondContact O-CB 3.38Å; M76-L80 WeakPolarHBondContact O-CG 3.45Å; M76-L80 PolarHBondContact O-N 3.5Å; M76-L80 VanDerWaalsContact O-N 3.08Å; M76-L80 HydrophobicContact SD-CD1 4.41Å; M76-N90 HydrophobicContact CE-CB 3.69Å; M76-L91 HydrophobicContact CB-CD2 4.43Å; M76-L91 HydrophobicContact CG-CD2 4.35Å; M76-V280 HydrophobicContact CE-CB 4.45Å; M76-V280 HydrophobicContact CE-CG1 3.67Å; M76-V280 HydrophobicContact CE-CG2 4.46Å; M76-L283 HydrophobicContact SD-CB 3.58Å; M76-L283 VanDerWaalsContact SD-CB 3.58Å; M76-L283 HydrophobicContact SD-CD1 3.76Å; M76-L283 HydrophobicContact SD-CG 4.31Å; M76-K284 HydrophobicContact CE-CG 4.24Å |
| 77 | G | 86 | Confident | 83.1 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A73 Q74 Y75 L80 E81 | A73-G77 PolarHBondContact O-N 2.97Å; Q74-G77 CarbonylContact O-C 3.57Å; Q74-G77 WeakPolarHBondContact O-CA 3.17Å; Q74-G77 PolarHBondContact O-N 2.94Å; Y75-G77 VanDerWaalsContact C-N 3.27Å; Y75-G77 PolarHBondContact O-N 2.78Å; G77-L80 CarbonylContact O-C 3.53Å; G77-L80 PolarHBondContact O-N 3.35Å; G77-E81 PolarHBondContact O-N 3.16Å |
| 78 | D | 86.1 | Confident | 82 | Confident | 64 Ų | 64 | 56 Ų | 56 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.8 | -35.7 | 178.9 | -57.8 | -19.5 | 0 | 0 | 0 | 112.1 | Q74 Y75 L80 E81 | Q74-D78 PolarHBondContact NE2-OD1 3.33Å; Q74-D78 PolarHBondContact O-N 3.28Å; Y75-D78 PolarHBondContact O-N 3.49Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-E81 VanDerWaalsContact O-CD 3.3Å; D78-E81 WeakPolarHBondContact O-CG 3.44Å |
| 79 | V | 86 | Confident | 81 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.5 | -33.4 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | Y75 Y143 F276 L279 V280 L283 | Y75-V79 HydrophobicContact CD1-CG2 4.02Å; Y75-V79 HydrophobicContact CE1-CG2 3.56Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 HydrophobicContact CG-CG2 4.47Å; Y75-V79 WeakPolarHBondContact O-CB 3.37Å; Y75-V79 VanDerWaalsContact O-CG2 3.3Å; Y75-V79 WeakPolarHBondContact O-CG2 3.31Å; Y75-V79 PolarHBondContact O-N 2.88Å; V79-Y143 HydrophobicContact CG2-CD1 4.48Å; V79-Y143 HydrophobicContact CG2-CE1 4.36Å; V79-F276 HydrophobicContact CG1-CD2 3.86Å; V79-F276 HydrophobicContact CG1-CE2 3.56Å; V79-F276 WeakPolarHBondContact O-CE2 3.48Å; V79-L279 HydrophobicContact CG1-CD2 4.38Å; V79-L279 HydrophobicContact CG2-CD2 4.13Å; V79-V280 HydrophobicContact CG1-CG2 3.93Å; V79-L283 HydrophobicContact CG2-CD1 4.26Å |
| 80 | L | 83.1 | Confident | 80.2 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 30.7 | 178.1 | -67.9 | 175.2 | 0 | 0 | 0 | 113.3 | M76 G77 D78 D82 N83 K84 V87 N90 F276 V280 | M76-L80 HydrophobicContact CE-CD1 3.37Å; M76-L80 HydrophobicContact CE-CG 4.1Å; M76-L80 HydrophobicContact CG-CD1 4.23Å; M76-L80 WeakPolarHBondContact O-CB 3.38Å; M76-L80 WeakPolarHBondContact O-CG 3.45Å; M76-L80 PolarHBondContact O-N 3.5Å; M76-L80 VanDerWaalsContact O-N 3.08Å; M76-L80 HydrophobicContact SD-CD1 4.41Å; G77-L80 CarbonylContact O-C 3.53Å; G77-L80 PolarHBondContact O-N 3.35Å; D78-L80 VanDerWaalsContact C-N 3.33Å; L80-D82 PolarHBondContact O-N 3.39Å; L80-N83 CarbonylContact O-C 3.41Å; L80-N83 WeakPolarHBondContact O-CA 3.21Å; L80-N83 PolarHBondContact O-N 3.42Å; L80-K84 PolarHBondContact O-N 3.33Å; L80-V87 HydrophobicContact CB-CG2 3.82Å; L80-V87 HydrophobicContact CD1-CG2 3.87Å; L80-N90 WeakPolarHBondContact CD1-ND2 3.26Å; L80-F276 HydrophobicContact CD2-CE2 4.48Å; L80-F276 HydrophobicContact CD2-CZ 3.9Å; L80-V280 HydrophobicContact CD2-CG2 4.49Å |
| 81 | E | 73.3 | Confident | 79.7 | Confident | 97 Ų | 97 | 60.1 Ų | 60.1 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -44.9 | -40.2 | -179.7 | -89.5 | 162.9 | -160.1 | 0 | 0 | 113.8 | G77 D78 N83 K147 | G77-E81 PolarHBondContact O-N 3.16Å; D78-E81 VanDerWaalsContact O-CD 3.3Å; D78-E81 WeakPolarHBondContact O-CG 3.44Å; E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 2.96Å; E81-K147 IonicContact OE1-NZ 2.76Å; E81-K147 PolarHBondContact OE1-NZ 3.18Å; E81-K147 IonicContact OE2-NZ 3Å; E81-K147 PolarHBondContact OE2-NZ 2.94Å |
| 82 | D | 68.4 | Low | 79.4 | Confident | 155 Ų | 155 | 58.5 Ų | 58.5 | 83% | 0.829 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -79.7 | -10.1 | -179.8 | -58.4 | -40.3 | 0 | 0 | 0 | 114.2 | L80 | L80-D82 PolarHBondContact O-N 3.39Š|
| 83 | N | 73.1 | Confident | 79 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -140.1 | 48.4 | -175.4 | -69 | -88.1 | 0 | 0 | 0 | 111.1 | L80 E81 D85 K86 | L80-N83 CarbonylContact O-C 3.41Å; L80-N83 WeakPolarHBondContact O-CA 3.21Å; L80-N83 PolarHBondContact O-N 3.42Å; E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 2.96Å; N83-D85 PolarHBondContact O-N 3.45Å; N83-D85 VanDerWaalsContact O-N 3.14Å; N83-K86 HydrophobicContact CB-CB 4.23Å; N83-K86 HydrophobicContact CB-CD 3.99Å; N83-K86 HydrophobicContact CB-CG 4.17Å; N83-K86 WeakPolarHBondContact O-CB 3.33Å; N83-K86 PolarHBondContact O-N 2.99Å; N83-K86 PolarHBondContact OD1-NZ 3.28Å |
| 84 | K | 69.4 | Low | 78.7 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 47% | 0.47 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33.8 | -179.7 | -71.7 | -174.5 | 179.9 | -178.5 | 0 | 113.2 | L80 K86 V87 F381 | L80-K84 PolarHBondContact O-N 3.33Å; K84-K86 PolarHBondContact O-N 2.83Å; K84-V87 VanDerWaalsContact O-CB 3.26Å; K84-V87 WeakPolarHBondContact O-CB 3.19Å; K84-V87 VanDerWaalsContact O-CG2 3.27Å; K84-V87 WeakPolarHBondContact O-CG2 3.35Å; K84-V87 PolarHBondContact O-N 3.01Å; K84-F381 HydrophobicContact CD-CE1 4Å; K84-F381 HydrophobicContact CG-CE1 4.48Å |
| 85 | D | 68.2 | Low | 78.3 | Confident | 148 Ų | 148 | 63.6 Ų | 63.6 | 79% | 0.791 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.1 | -30.8 | 177.4 | -54.4 | -39.4 | 0 | 0 | 0 | 112.5 | N83 V87 | N83-D85 PolarHBondContact O-N 3.45Å; N83-D85 VanDerWaalsContact O-N 3.14Å; D85-V87 VanDerWaalsContact C-N 3.3Å; D85-V87 PolarHBondContact O-N 3.06Å |
| 86 | K | 70.3 | Confident | 78.1 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -80.2 | -9.6 | 177.1 | -60.4 | -176 | -176.8 | 149.7 | 0 | 112.8 | N83 K84 Q88 E89 N90 | N83-K86 HydrophobicContact CB-CB 4.23Å; N83-K86 HydrophobicContact CB-CD 3.99Å; N83-K86 HydrophobicContact CB-CG 4.17Å; N83-K86 WeakPolarHBondContact O-CB 3.33Å; N83-K86 PolarHBondContact O-N 2.99Å; N83-K86 PolarHBondContact OD1-NZ 3.28Å; K84-K86 PolarHBondContact O-N 2.83Å; K86-Q88 VanDerWaalsContact C-N 3.34Å; K86-Q88 PolarHBondContact O-N 2.86Å; K86-E89 PolarHBondContact O-N 2.8Å; K86-N90 VanDerWaalsContact O-CG 3.23Å; K86-N90 PolarHBondContact O-N 3.42Å; K86-N90 PolarHBondContact O-ND2 3.03Å |
| 87 | V | 73.8 | Confident | 78 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | -178.5 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | L80 K84 D85 E89 N90 L91 L379 | L80-V87 HydrophobicContact CB-CG2 3.82Å; L80-V87 HydrophobicContact CD1-CG2 3.87Å; K84-V87 VanDerWaalsContact O-CB 3.26Å; K84-V87 WeakPolarHBondContact O-CB 3.19Å; K84-V87 VanDerWaalsContact O-CG2 3.27Å; K84-V87 WeakPolarHBondContact O-CG2 3.35Å; K84-V87 PolarHBondContact O-N 3.01Å; D85-V87 VanDerWaalsContact C-N 3.3Å; D85-V87 PolarHBondContact O-N 3.06Å; V87-E89 VanDerWaalsContact C-N 3.3Å; V87-E89 PolarHBondContact O-N 2.92Å; V87-N90 PolarHBondContact O-N 2.83Å; V87-L91 HydrophobicContact CG1-CD1 4.05Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CG 3.25Å; V87-L91 PolarHBondContact O-N 3.3Å; V87-L91 VanDerWaalsContact O-N 3.1Å; V87-L379 HydrophobicContact CB-CD1 4.45Å; V87-L379 HydrophobicContact CG1-CD1 3.52Å |
| 88 | Q | 69.9 | Low | 77.9 | Confident | 133 Ų | 133 | 69.5 Ų | 69.5 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.6 | -34 | 179.1 | -64.7 | -148.4 | -15.8 | 0 | 0 | 113 | K86 N90 L91 | K86-Q88 VanDerWaalsContact C-N 3.34Å; K86-Q88 PolarHBondContact O-N 2.86Å; Q88-N90 PolarHBondContact O-N 3.34Å; Q88-L91 PolarHBondContact O-N 3.36Å |
| 89 | E | 72.5 | Confident | 77.9 | Confident | 130 Ų | 130 | 68.6 Ų | 68.6 | 61% | 0.607 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.6 | -22.9 | 174.9 | -59 | -179.2 | 162.5 | 0 | 0 | 112.9 | K86 V87 L92 | K86-E89 PolarHBondContact O-N 2.8Å; V87-E89 VanDerWaalsContact C-N 3.3Å; V87-E89 PolarHBondContact O-N 2.92Å; E89-L92 WeakPolarHBondContact O-CG 3.42Å |
| 90 | N | 76.1 | Confident | 77.8 | Confident | 28 Ų | 28 | 70.2 Ų | 70.2 | 15% | 0.15 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -96 | -19.2 | -177.9 | -69.2 | -48.8 | 0 | 0 | 0 | 113.1 | M76 L80 K86 V87 Q88 L92 K284 | M76-N90 HydrophobicContact CE-CB 3.69Å; L80-N90 WeakPolarHBondContact CD1-ND2 3.26Å; K86-N90 VanDerWaalsContact O-CG 3.23Å; K86-N90 PolarHBondContact O-N 3.42Å; K86-N90 PolarHBondContact O-ND2 3.03Å; V87-N90 PolarHBondContact O-N 2.83Å; Q88-N90 PolarHBondContact O-N 3.34Å; N90-L92 VanDerWaalsContact C-N 3.29Å; N90-L92 PolarHBondContact O-N 3.24Å; N90-L92 VanDerWaalsContact O-N 3.09Å; N90-K284 HydrophobicContact CB-CG 4.31Å; N90-K284 WeakPolarHBondContact OD1-CE 3.46Å; N90-K284 PolarHBondContact OD1-NZ 3.05Å |
| 91 | L | 80.7 | Confident | 78 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | trans | -84.9 | 71.5 | 177.2 | -65.9 | -177.7 | 0 | 0 | 0 | 110.7 | A73 M76 V87 Q88 F287 L379 | A73-L91 HydrophobicContact CB-CD1 4.09Å; A73-L91 HydrophobicContact CB-CD2 4.29Å; M76-L91 HydrophobicContact CB-CD2 4.43Å; M76-L91 HydrophobicContact CG-CD2 4.35Å; V87-L91 HydrophobicContact CG1-CD1 4.05Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CG 3.25Å; V87-L91 PolarHBondContact O-N 3.3Å; V87-L91 VanDerWaalsContact O-N 3.1Å; Q88-L91 PolarHBondContact O-N 3.36Å; L91-F287 HydrophobicContact CB-CD1 4.22Å; L91-F287 HydrophobicContact CB-CE1 3.59Å; L91-F287 HydrophobicContact CB-CZ 3.91Å; L91-F287 HydrophobicContact CD1-CZ 4.44Å; L91-F287 HydrophobicContact CD2-CD1 3.72Å; L91-F287 HydrophobicContact CD2-CD2 3.79Å; L91-F287 HydrophobicContact CD2-CE1 3.73Å; L91-F287 HydrophobicContact CD2-CE2 3.8Å; L91-F287 HydrophobicContact CD2-CG 3.75Å; L91-F287 HydrophobicContact CD2-CZ 3.77Å; L91-F287 HydrophobicContact CG-CE1 4.19Å; L91-F287 HydrophobicContact CG-CZ 4.23Å; L91-L379 HydrophobicContact CD1-CD1 3.72Å; L91-L379 HydrophobicContact CD1-CG 4.2Å | ||
| 92 | L | 84.5 | Confident | 78.6 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | trans | -108.4 | 145.8 | 178.5 | -56.6 | 177.7 | 0 | 0 | 0 | 110.7 | E89 N90 V96 S288 | E89-L92 WeakPolarHBondContact O-CG 3.42Å; N90-L92 VanDerWaalsContact C-N 3.29Å; N90-L92 PolarHBondContact O-N 3.24Å; N90-L92 VanDerWaalsContact O-N 3.09Å; L92-V96 CarbonylContact C-O 3.59Å; L92-V96 WeakPolarHBondContact CA-O 3.08Å; L92-S288 WeakPolarHBondContact O-CB 3.4Å | ||
| 93 | A | 82.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -103.7 | 114.7 | 169 | 0 | 0 | 0 | 0 | 0 | 108.7 | G95 V96 L98 Y101 F291 | A93-G95 PolarHBondContact O-N 2.91Å; A93-V96 PolarHBondContact N-O 2.94Å; A93-V96 PolarHBondContact O-N 2.98Å; A93-V96 VanDerWaalsContact O-O 3.13Å; A93-L98 HydrophobicContact CB-CD2 3.84Å; A93-Y101 HydrophobicContact CB-CD1 4.22Å; A93-Y101 HydrophobicContact CB-CD2 3.99Å; A93-Y101 HydrophobicContact CB-CG 3.79Å; A93-F291 HydrophobicContact CB-CD1 3.64Å; A93-F291 HydrophobicContact CB-CE1 4.19Å; A93-F291 HydrophobicContact CB-CG 4.47Å |
| 94 | N | 82.9 | Confident | 80 | Confident | 126 Ų | 126 | 66.8 Ų | 66.8 | 67% | 0.674 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 36.2 | -176.6 | -161 | 25.7 | 0 | 0 | 0 | 113.7 | V96 S288 I292 | N94-V96 PolarHBondContact O-N 2.88Å; N94-S288 PolarHBondContact N-OG 3.18Å; N94-I292 HydrophobicContact CB-CD1 4.33Å |
| 95 | G | 80 | Confident | 80.8 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 64% | 0.639 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | A93 | A93-G95 PolarHBondContact O-N 2.91Š|
| 96 | V | 85.9 | Confident | 81.7 | Confident | 59 Ų | 59 | 62 Ų | 62 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -116.6 | 152.9 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | L92 A93 N94 T100 | L92-V96 CarbonylContact C-O 3.59Å; L92-V96 WeakPolarHBondContact CA-O 3.08Å; A93-V96 PolarHBondContact N-O 2.94Å; A93-V96 PolarHBondContact O-N 2.98Å; A93-V96 VanDerWaalsContact O-O 3.13Å; N94-V96 PolarHBondContact O-N 2.88Å; V96-T100 HydrophobicContact CG1-CG2 3.48Å; V96-T100 VanDerWaalsContact CG1-CG2 3.48Å |
| 97 | D | 85.3 | Confident | 82.5 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | trans | -62.7 | 152.2 | 174 | 71 | -85.7 | 0 | 0 | 0 | 111.6 | V99 T100 Y101 | D97-V99 VanDerWaalsContact C-N 3.28Å; D97-V99 PolarHBondContact O-N 3.22Å; D97-V99 WeakPolarHBondContact OD2-CB 3.47Å; D97-V99 PolarHBondContact OD2-N 3.06Å; D97-T100 PolarHBondContact O-N 3.48Å; D97-T100 WeakPolarHBondContact OD1-CB 3.37Å; D97-T100 PolarHBondContact OD1-OG1 3.39Å; D97-T100 WeakPolarHBondContact OD2-CB 3.5Å; D97-T100 PolarHBondContact OD2-N 3.1Å; D97-T100 PolarHBondContact OD2-OG1 2.83Å; D97-T100 VanDerWaalsContact OD2-OG1 3.06Å; D97-Y101 WeakPolarHBondContact O-CB 3.26Å; D97-Y101 PolarHBondContact O-N 3.36Å | ||
| 98 | L | 84.3 | Confident | 83.1 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.094 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -38.8 | -174 | -56.3 | 178.8 | 0 | 0 | 0 | 112.5 | A93 Y101 V102 F287 F291 C376 L378 | A93-L98 HydrophobicContact CB-CD2 3.84Å; L98-Y101 PolarHBondContact O-N 2.79Å; L98-V102 VanDerWaalsContact O-CG2 3.25Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.05Å; L98-F287 HydrophobicContact CD1-CZ 4.12Å; L98-F287 HydrophobicContact CD2-CE1 3.94Å; L98-F287 HydrophobicContact CD2-CZ 4.19Å; L98-F291 HydrophobicContact CB-CE1 4.3Å; L98-F291 HydrophobicContact CB-CE2 4.42Å; L98-F291 HydrophobicContact CB-CZ 3.92Å; L98-F291 HydrophobicContact CD1-CE2 4.22Å; L98-F291 HydrophobicContact CD2-CD1 3.79Å; L98-F291 HydrophobicContact CD2-CD2 3.98Å; L98-F291 HydrophobicContact CD2-CE1 3.75Å; L98-F291 HydrophobicContact CD2-CE2 3.96Å; L98-F291 HydrophobicContact CD2-CG 3.89Å; L98-F291 HydrophobicContact CD2-CZ 3.85Å; L98-F291 HydrophobicContact CG-CE2 4.43Å; L98-F291 HydrophobicContact CG-CZ 4.32Å; L98-C376 HydrophobicContact CB-CB 4.4Å; L98-L378 HydrophobicContact CD1-CD1 3.48Å; L98-L378 VanDerWaalsContact CD1-CD1 3.48Å; L98-L378 HydrophobicContact CD1-CG 4.42Å |
| 99 | V | 84.7 | Confident | 83.9 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66 | -47.3 | -178 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | F4 D97 S103 | F4-V99 HydrophobicContact CE2-CB 4.46Å; F4-V99 HydrophobicContact CE2-CG1 4.28Å; F4-V99 HydrophobicContact CE2-CG2 4.33Å; F4-V99 HydrophobicContact CZ-CB 4.2Å; F4-V99 HydrophobicContact CZ-CG1 3.62Å; F4-V99 HydrophobicContact CZ-CG2 4.47Å; D97-V99 VanDerWaalsContact C-N 3.28Å; D97-V99 PolarHBondContact O-N 3.22Å; D97-V99 WeakPolarHBondContact OD2-CB 3.47Å; D97-V99 PolarHBondContact OD2-N 3.06Å; V99-S103 VanDerWaalsContact O-CB 3.31Å; V99-S103 WeakPolarHBondContact O-CB 3.2Å; V99-S103 PolarHBondContact O-N 2.9Å; V99-S103 PolarHBondContact O-OG 3.16Å |
| 100 | T | 85.7 | Confident | 84.5 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 31% | 0.307 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.9 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | V96 D97 S103 R104 | V96-T100 HydrophobicContact CG1-CG2 3.48Å; V96-T100 VanDerWaalsContact CG1-CG2 3.48Å; D97-T100 PolarHBondContact O-N 3.48Å; D97-T100 WeakPolarHBondContact OD1-CB 3.37Å; D97-T100 PolarHBondContact OD1-OG1 3.39Å; D97-T100 WeakPolarHBondContact OD2-CB 3.5Å; D97-T100 PolarHBondContact OD2-N 3.1Å; D97-T100 PolarHBondContact OD2-OG1 2.83Å; D97-T100 VanDerWaalsContact OD2-OG1 3.06Å; T100-S103 PolarHBondContact O-N 3.41Å; T100-R104 PolarHBondContact O-N 3.1Å |
| 101 | Y | 86.3 | Confident | 84.9 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 12% | 0.122 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 176.6 | 179 | -89.2 | 0 | 0 | 0 | 111.5 | A93 D97 L98 S103 R104 F105 F291 I292 I295 | A93-Y101 HydrophobicContact CB-CD1 4.22Å; A93-Y101 HydrophobicContact CB-CD2 3.99Å; A93-Y101 HydrophobicContact CB-CG 3.79Å; D97-Y101 WeakPolarHBondContact O-CB 3.26Å; D97-Y101 PolarHBondContact O-N 3.36Å; L98-Y101 PolarHBondContact O-N 2.79Å; Y101-S103 VanDerWaalsContact C-N 3.32Å; Y101-S103 PolarHBondContact O-N 3.43Å; Y101-R104 CarbonylContact O-C 3.52Å; Y101-R104 PolarHBondContact O-N 2.76Å; Y101-F105 HydrophobicContact CE1-CD2 4.25Å; Y101-F105 WeakPolarHBondContact O-CA 3.27Å; Y101-F105 PolarHBondContact O-N 3.08Å; Y101-F105 VanDerWaalsContact O-N 3.07Å; Y101-F291 HydrophobicContact CD1-CD1 4.17Å; Y101-F291 AromaticContact CD1-CE1 3.79Å; Y101-F291 HydrophobicContact CD1-CE1 3.79Å; Y101-F291 HydrophobicContact CE1-CD1 4.45Å; Y101-F291 HydrophobicContact CE1-CE1 4.38Å; Y101-I292 HydrophobicContact CE1-CG1 4.41Å; Y101-I292 HydrophobicContact CE2-CG1 4.08Å; Y101-I295 HydrophobicContact CE1-CB 4.31Å; Y101-I295 HydrophobicContact CE1-CG1 4.12Å; Y101-I295 HydrophobicContact CE1-CG2 4.47Å |
| 102 | V | 85.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65 | -38.6 | 179.8 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | L98 R104 F105 F291 I295 L321 I374 | L98-V102 VanDerWaalsContact O-CG2 3.25Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.05Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.36Å; V102-F105 PolarHBondContact O-N 3.49Å; V102-F291 HydrophobicContact CG2-CE1 3.89Å; V102-F291 HydrophobicContact CG2-CZ 3.75Å; V102-I295 HydrophobicContact CG2-CD1 3.81Å; V102-I295 HydrophobicContact CG2-CG1 4.22Å; V102-L321 HydrophobicContact CG1-CD1 3.79Å; V102-L321 HydrophobicContact CG1-CD2 3.67Å; V102-L321 HydrophobicContact CG1-CG 4.38Å; V102-I374 HydrophobicContact CG1-CD1 4.43Å |
| 103 | S | 84.9 | Confident | 85.4 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -24 | 179.5 | -56.3 | 0 | 0 | 0 | 0 | 114 | V99 T100 Y101 | V99-S103 VanDerWaalsContact O-CB 3.31Å; V99-S103 WeakPolarHBondContact O-CB 3.2Å; V99-S103 PolarHBondContact O-N 2.9Å; V99-S103 PolarHBondContact O-OG 3.16Å; T100-S103 PolarHBondContact O-N 3.41Å; Y101-S103 VanDerWaalsContact C-N 3.32Å; Y101-S103 PolarHBondContact O-N 3.43Å |
| 104 | R | 85.9 | Confident | 85.7 | Confident | 202 Ų | 202 | 60.9 Ų | 60.9 | 76% | 0.762 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | 31.3 | 179 | -61.2 | -174.4 | -179.2 | -164.9 | 1.5 | 112.1 | T100 Y101 V102 Q106 | T100-R104 PolarHBondContact O-N 3.1Å; Y101-R104 CarbonylContact O-C 3.52Å; Y101-R104 PolarHBondContact O-N 2.76Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.36Å; R104-Q106 PolarHBondContact O-N 3.41Å |
| 105 | F | 86.6 | Confident | 85.8 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | trans | -55.4 | 133.5 | -177.4 | 173.9 | -99 | 0 | 0 | 0 | 111.7 | F38 Y101 V102 W107 I295 H296 A299 | F38-F105 HydrophobicContact CD1-CD1 4.19Å; F38-F105 HydrophobicContact CD1-CE1 4.46Å; F38-F105 HydrophobicContact CD2-CB 3.89Å; F38-F105 AromaticContact CD2-CD1 3.81Å; F38-F105 HydrophobicContact CD2-CD1 3.81Å; F38-F105 HydrophobicContact CD2-CG 4.08Å; F38-F105 AromaticContact CE1-CD1 3.67Å; F38-F105 HydrophobicContact CE1-CD1 3.67Å; F38-F105 AromaticContact CE1-CE1 3.65Å; F38-F105 HydrophobicContact CE1-CE1 3.65Å; F38-F105 HydrophobicContact CE2-CB 3.51Å; F38-F105 AromaticContact CE2-CD1 3.24Å; F38-F105 HydrophobicContact CE2-CD1 3.24Å; F38-F105 HydrophobicContact CE2-CD2 4.16Å; F38-F105 AromaticContact CE2-CE1 3.96Å; F38-F105 HydrophobicContact CE2-CE1 3.96Å; F38-F105 AromaticContact CE2-CG 3.34Å; F38-F105 HydrophobicContact CE2-CG 3.34Å; F38-F105 HydrophobicContact CG-CD1 4.25Å; F38-F105 HydrophobicContact CZ-CB 4.3Å; F38-F105 AromaticContact CZ-CD1 3.16Å; F38-F105 HydrophobicContact CZ-CD1 3.16Å; F38-F105 HydrophobicContact CZ-CD2 4.22Å; F38-F105 AromaticContact CZ-CE1 3.36Å; F38-F105 HydrophobicContact CZ-CE1 3.36Å; F38-F105 HydrophobicContact CZ-CE2 4.37Å; F38-F105 AromaticContact CZ-CG 3.62Å; F38-F105 HydrophobicContact CZ-CG 3.62Å; F38-F105 AromaticContact CZ-CZ 3.97Å; F38-F105 HydrophobicContact CZ-CZ 3.97Å; Y101-F105 HydrophobicContact CE1-CD2 4.25Å; Y101-F105 WeakPolarHBondContact O-CA 3.27Å; Y101-F105 PolarHBondContact O-N 3.08Å; Y101-F105 VanDerWaalsContact O-N 3.07Å; V102-F105 PolarHBondContact O-N 3.49Å; F105-W107 HydrophobicContact CZ-CE3 4.18Å; F105-I295 HydrophobicContact CD2-CB 4.43Å; F105-I295 HydrophobicContact CD2-CG2 3.4Å; F105-I295 HydrophobicContact CE2-CB 4.36Å; F105-I295 HydrophobicContact CE2-CG2 3.56Å; F105-I295 HydrophobicContact CG-CG2 4.1Å; F105-I295 HydrophobicContact CZ-CG2 4.37Å; F105-H296 AromaticContact CE2-CE1 3.73Å; F105-H296 AromaticContact CE2-ND1 3.98Å; F105-H296 AromaticContact CE2-NE2 3.92Å; F105-H296 AromaticContact CZ-NE2 3.92Å; F105-A299 HydrophobicContact CE1-CB 4.31Å; F105-A299 HydrophobicContact CZ-CB 4.24Å | ||
| 106 | Q | 86.5 | Confident | 86.1 | Confident | 149 Ų | 149 | 64.1 Ų | 64.1 | 70% | 0.696 | 32% | 0.324 | S | S | * | . | trans | -131.7 | 141.8 | 167.8 | -66.7 | -172.8 | -0.3 | 0 | 0 | 108.4 | R104 D108 | R104-Q106 PolarHBondContact O-N 3.41Å; Q106-D108 PolarHBondContact O-N 3.45Å | ||
| 107 | W | 87.3 | Confident | 86.2 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | trans | -66.9 | 126.5 | 177.9 | -174.1 | -84.3 | 0 | 0 | 0 | 111.4 | P41 L43 F105 M109 Y112 I121 H296 A299 L300 | P41-W107 HydrophobicContact CG-CB 3.8Å; P41-W107 HydrophobicContact CG-CD2 3.74Å; P41-W107 HydrophobicContact CG-CE3 4.29Å; P41-W107 HydrophobicContact CG-CG 3.48Å; P41-W107 VanDerWaalsContact CG-CG 3.48Å; L43-W107 HydrophobicContact CD1-CH2 4.17Å; L43-W107 HydrophobicContact CD1-CZ3 4.44Å; L43-W107 HydrophobicContact CD2-CH2 4.35Å; L43-W107 HydrophobicContact CD2-CZ2 3.92Å; F105-W107 HydrophobicContact CZ-CE3 4.18Å; W107-M109 PolarHBondContact O-N 3.04Å; W107-Y112 HydrophobicContact CZ2-CG 4.49Å; W107-Y112 PolarHBondContact NE1-O 2.9Å; W107-I121 HydrophobicContact CZ2-CD1 4.49Å; W107-I121 HydrophobicContact CZ2-CG2 4.42Å; W107-H296 AromaticContact CD2-CD2 3.83Å; W107-H296 AromaticContact CE3-CD2 3.71Å; W107-H296 AromaticContact CZ3-CD2 3.85Å; W107-A299 HydrophobicContact CE3-CB 4.24Å; W107-A299 HydrophobicContact CZ3-CB 3.82Å; W107-L300 HydrophobicContact CH2-CD1 4.39Å; W107-L300 HydrophobicContact CH2-CD2 3.65Å; W107-L300 HydrophobicContact CH2-CG 3.78Å; W107-L300 HydrophobicContact CZ3-CD2 4.36Å; W107-L300 HydrophobicContact CZ3-CG 4.31Å | ||
| 108 | D | 87.2 | Confident | 86.3 | Confident | 47 Ų | 47 | 60.5 Ų | 60.5 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | trans | -78.1 | 89.4 | 176.5 | -171.4 | -22 | 0 | 0 | 0 | 110.1 | Q106 A110 K111 Y112 H296 | Q106-D108 PolarHBondContact O-N 3.45Å; D108-A110 PolarHBondContact O-N 3.23Å; D108-A110 WeakPolarHBondContact OD1-CB 3.46Å; D108-A110 PolarHBondContact OD1-N 3.35Å; D108-K111 HydrophobicContact CB-CB 4.43Å; D108-K111 PolarHBondContact O-N 3.31Å; D108-K111 PolarHBondContact OD1-N 3.48Å; D108-K111 WeakPolarHBondContact OD2-CD 3.36Å; D108-K111 WeakPolarHBondContact OD2-CG 3.4Å; D108-Y112 HydrophobicContact CB-CD2 4.23Å; D108-Y112 PolarHBondContact O-N 2.97Å; D108-H296 WeakPolarHBondContact CB-NE2 3.14Å; D108-H296 PolarHBondContact N-NE2 2.94Å | ||
| 109 | M | 86.2 | Confident | 86.5 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.8 | 178.8 | -64.2 | -170.7 | -178.7 | 0 | 0 | 113.6 | P41 W107 I114 | P41-M109 HydrophobicContact CB-CE 4.44Å; W107-M109 PolarHBondContact O-N 3.04Å; M109-I114 HydrophobicContact CE-CD1 4.43Å; M109-I114 HydrophobicContact CG-CG2 4.39Å |
| 110 | A | 85.9 | Confident | 86.8 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 78% | 0.777 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -41.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D108 | D108-A110 PolarHBondContact O-N 3.23Å; D108-A110 WeakPolarHBondContact OD1-CB 3.46Å; D108-A110 PolarHBondContact OD1-N 3.35Å |
| 111 | K | 83.6 | Confident | 87.1 | Confident | 72 Ų | 72 | 63.4 Ų | 63.4 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -35 | 176.4 | -67.8 | -170.2 | 179.6 | -167.3 | 0 | 113.1 | D108 E289 | D108-K111 HydrophobicContact CB-CB 4.43Å; D108-K111 PolarHBondContact O-N 3.31Å; D108-K111 PolarHBondContact OD1-N 3.48Å; D108-K111 WeakPolarHBondContact OD2-CD 3.36Å; D108-K111 WeakPolarHBondContact OD2-CG 3.4Å; K111-E289 IonicContact NZ-OE1 2.76Å; K111-E289 PolarHBondContact NZ-OE1 3.1Å |
| 112 | Y | 88.4 | Confident | 87.3 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -126.3 | 83.3 | -175.8 | -50.1 | -61.2 | 0 | 0 | 0 | 110.8 | W107 D108 I114 I121 I124 V125 Q128 H296 | W107-Y112 HydrophobicContact CZ2-CG 4.49Å; W107-Y112 PolarHBondContact NE1-O 2.9Å; D108-Y112 HydrophobicContact CB-CD2 4.23Å; D108-Y112 PolarHBondContact O-N 2.97Å; Y112-I114 PolarHBondContact O-N 3.48Å; Y112-I121 HydrophobicContact CD1-CG2 3.93Å; Y112-I121 HydrophobicContact CG-CG2 4.21Å; Y112-I124 HydrophobicContact CE1-CG2 4.29Å; Y112-V125 HydrophobicContact CD1-CG2 4.02Å; Y112-V125 HydrophobicContact CE1-CG2 3.32Å; Y112-Q128 PolarHBondContact OH-OE1 3.08Å; Y112-H296 HydrophobicContact CD2-CB 4.17Å; Y112-H296 AromaticContact CD2-CD2 3.29Å; Y112-H296 WeakPolarHBondContact CD2-CD2 3.29Å; Y112-H296 AromaticContact CD2-CG 3.61Å; Y112-H296 AromaticContact CD2-NE2 3.66Å; Y112-H296 HydrophobicContact CE2-CB 3.93Å; Y112-H296 AromaticContact CE2-CD2 3.67Å; Y112-H296 AromaticContact CE2-CE1 3.95Å; Y112-H296 AromaticContact CE2-CG 3.48Å; Y112-H296 VanDerWaalsContact CE2-CG 3.48Å; Y112-H296 AromaticContact CE2-ND1 3.68Å; Y112-H296 AromaticContact CE2-NE2 3.97Å |
| 113 | P | 88.2 | Confident | 87.6 | Confident | 40 Ų | 40 | 67 Ų | 67 | 26% | 0.26 | 33% | 0.332 | S | S | . | . | trans | -68.4 | 123.7 | -174 | -20.6 | 33.5 | 0 | 0 | 0 | 112.4 | K115 Q116 | P113-K115 PolarHBondContact O-N 3.39Å; P113-Q116 HydrophobicContact CB-CG 4.25Å; P113-Q116 PolarHBondContact O-N 3.22Å | ||
| 114 | I | 87.4 | Confident | 87.9 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 28% | 0.277 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.4 | -177.5 | 64 | 175.1 | 0 | 0 | 0 | 114.6 | P41 L43 M109 Y112 Q116 | P41-I114 HydrophobicContact CB-CG2 3.92Å; P41-I114 HydrophobicContact CG-CG2 3.71Å; L43-I114 HydrophobicContact CD2-CB 4.24Å; L43-I114 HydrophobicContact CD2-CG2 4.02Å; M109-I114 HydrophobicContact CE-CD1 4.43Å; M109-I114 HydrophobicContact CG-CG2 4.39Å; Y112-I114 PolarHBondContact O-N 3.48Å; I114-Q116 VanDerWaalsContact C-N 3.35Å |
| 115 | K | 85.9 | Confident | 88.3 | Confident | 189 Ų | 189 | 59.6 Ų | 59.6 | 82% | 0.822 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.6 | 178 | -63.8 | -175.3 | -179.5 | -179.4 | 0 | 113.2 | P113 | P113-K115 PolarHBondContact O-N 3.39Š|
| 116 | Q | 87 | Confident | 88.6 | Confident | 68 Ų | 68 | 61.5 Ų | 61.5 | 32% | 0.318 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -78.6 | 161.7 | 178.4 | -65.1 | -171.1 | 19.6 | 0 | 0 | 111 | P113 I114 N120 I121 | P113-Q116 HydrophobicContact CB-CG 4.25Å; P113-Q116 PolarHBondContact O-N 3.22Å; I114-Q116 VanDerWaalsContact C-N 3.35Å; Q116-N120 HydrophobicContact CB-CB 4.41Å; Q116-I121 HydrophobicContact CB-CG1 4.22Å |
| 117 | S | 88.1 | Confident | 89.1 | Confident | 44 Ų | 44 | 62 Ų | 62 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 149.7 | 173.1 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | K119 N120 I121 | S117-K119 PolarHBondContact O-N 3.38Å; S117-N120 PolarHBondContact O-N 2.67Å; S117-N120 WeakPolarHBondContact OG-CB 3.35Å; S117-N120 PolarHBondContact OG-N 2.82Å; S117-N120 PolarHBondContact OG-OD1 2.9Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.96Å; S117-I121 VanDerWaalsContact O-N 3.12Å |
| 118 | L | 86.9 | Confident | 89.4 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.7 | -36.7 | 175.5 | -62.4 | 169.1 | 0 | 0 | 0 | 112.2 | L43 L51 L54 I121 S122 L300 F303 V304 | L43-L118 HydrophobicContact CB-CD2 3.61Å; L43-L118 HydrophobicContact CD1-CD2 3.71Å; L43-L118 HydrophobicContact CG-CD2 4.2Å; L51-L118 HydrophobicContact CD2-CD1 3.68Å; L54-L118 HydrophobicContact CD2-CB 3.43Å; L54-L118 VanDerWaalsContact CD2-CB 3.43Å; L54-L118 HydrophobicContact CD2-CD1 4.07Å; L54-L118 HydrophobicContact CD2-CG 4.38Å; L118-I121 PolarHBondContact O-N 2.92Å; L118-S122 PolarHBondContact O-N 3.46Å; L118-S122 PolarHBondContact O-OG 3.06Å; L118-L300 HydrophobicContact CD2-CD2 3.68Å; L118-F303 HydrophobicContact CD1-CD1 4.3Å; L118-F303 HydrophobicContact CD1-CE1 4.14Å; L118-F303 HydrophobicContact CD2-CD1 4.26Å; L118-F303 HydrophobicContact CD2-CE1 4.34Å; L118-V304 HydrophobicContact CD1-CG2 4.03Å |
| 119 | K | 88.9 | Confident | 89.8 | Confident | 100 Ų | 100 | 60.4 Ų | 60.4 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.2 | -176.3 | 173 | 179.6 | 170.5 | 0 | 112.6 | S117 I121 S122 E123 | S117-K119 PolarHBondContact O-N 3.38Å; K119-I121 VanDerWaalsContact C-N 3.3Å; K119-I121 PolarHBondContact O-N 3.27Å; K119-S122 PolarHBondContact O-N 3.14Å; K119-S122 PolarHBondContact O-OG 3.01Å; K119-E123 WeakPolarHBondContact CE-OE1 3.34Å; K119-E123 WeakPolarHBondContact O-CB 3.48Å; K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.22Å |
| 120 | N | 90.3 | Very high | 90.2 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 177.5 | -70.5 | 12.9 | 0 | 0 | 0 | 110.8 | Q116 S117 E123 I124 | Q116-N120 HydrophobicContact CB-CB 4.41Å; S117-N120 PolarHBondContact O-N 2.67Å; S117-N120 WeakPolarHBondContact OG-CB 3.35Å; S117-N120 PolarHBondContact OG-N 2.82Å; S117-N120 PolarHBondContact OG-OD1 2.9Å; N120-E123 PolarHBondContact O-N 3.48Å; N120-I124 WeakPolarHBondContact O-CD1 3.49Å; N120-I124 WeakPolarHBondContact O-CG1 3.46Å; N120-I124 PolarHBondContact O-N 3.21Å |
| 121 | I | 90.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.3 | -60.3 | 171.8 | 0 | 0 | 0 | 110.5 | L43 W107 Y112 Q116 S117 L118 K119 E123 I124 V125 L300 | L43-I121 HydrophobicContact CD2-CD1 4.28Å; W107-I121 HydrophobicContact CZ2-CD1 4.49Å; W107-I121 HydrophobicContact CZ2-CG2 4.42Å; Y112-I121 HydrophobicContact CD1-CG2 3.93Å; Y112-I121 HydrophobicContact CG-CG2 4.21Å; Q116-I121 HydrophobicContact CB-CG1 4.22Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.96Å; S117-I121 VanDerWaalsContact O-N 3.12Å; L118-I121 PolarHBondContact O-N 2.92Å; K119-I121 VanDerWaalsContact C-N 3.3Å; K119-I121 PolarHBondContact O-N 3.27Å; I121-E123 VanDerWaalsContact C-N 3.35Å; I121-E123 PolarHBondContact O-N 2.72Å; I121-I124 PolarHBondContact O-N 3.04Å; I121-V125 WeakPolarHBondContact O-CG2 3.21Å; I121-V125 PolarHBondContact O-N 3.32Å; I121-V125 VanDerWaalsContact O-N 3.08Å; I121-L300 HydrophobicContact CG2-CD1 3.86Å |
| 122 | S | 90.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 177 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | L61 L118 K119 V125 S126 | L61-S122 WeakPolarHBondContact CD2-O 3.45Å; L118-S122 PolarHBondContact O-N 3.46Å; L118-S122 PolarHBondContact O-OG 3.06Å; K119-S122 PolarHBondContact O-N 3.14Å; K119-S122 PolarHBondContact O-OG 3.01Å; S122-V125 PolarHBondContact O-N 3.37Å; S122-S126 VanDerWaalsContact O-CB 3.31Å; S122-S126 WeakPolarHBondContact O-CB 3.37Å; S122-S126 PolarHBondContact O-N 3.03Å |
| 123 | E | 92.3 | Very high | 91.6 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.5 | -75 | 175 | -171.5 | 0 | 0 | 112.5 | K119 N120 I121 S126 K127 | K119-E123 WeakPolarHBondContact CE-OE1 3.34Å; K119-E123 WeakPolarHBondContact O-CB 3.48Å; K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.22Å; N120-E123 PolarHBondContact O-N 3.48Å; I121-E123 VanDerWaalsContact C-N 3.35Å; I121-E123 PolarHBondContact O-N 2.72Å; E123-S126 PolarHBondContact O-N 3.25Å; E123-K127 WeakPolarHBondContact O-CB 3.46Å; E123-K127 PolarHBondContact O-N 2.73Å |
| 124 | I | 92.2 | Very high | 92 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 34% | 0.338 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 175.3 | -70.4 | 162.7 | 0 | 0 | 0 | 110.2 | Y112 N120 I121 K127 Q128 | Y112-I124 HydrophobicContact CE1-CG2 4.29Å; N120-I124 WeakPolarHBondContact O-CD1 3.49Å; N120-I124 WeakPolarHBondContact O-CG1 3.46Å; N120-I124 PolarHBondContact O-N 3.21Å; I121-I124 PolarHBondContact O-N 3.04Å; I124-K127 PolarHBondContact O-N 3.31Å; I124-Q128 WeakPolarHBondContact O-CB 3.34Å; I124-Q128 PolarHBondContact O-N 2.63Å |
| 125 | V | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 111 | V65 Y112 I121 S122 K127 Q128 V129 A293 I297 | V65-V125 HydrophobicContact CG2-CG1 4.41Å; Y112-V125 HydrophobicContact CD1-CG2 4.02Å; Y112-V125 HydrophobicContact CE1-CG2 3.32Å; I121-V125 WeakPolarHBondContact O-CG2 3.21Å; I121-V125 PolarHBondContact O-N 3.32Å; I121-V125 VanDerWaalsContact O-N 3.08Å; S122-V125 PolarHBondContact O-N 3.37Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.48Å; V125-Q128 PolarHBondContact O-N 2.79Å; V125-V129 HydrophobicContact CG1-CG2 4.1Å; V125-V129 WeakPolarHBondContact O-CG2 3.17Å; V125-V129 PolarHBondContact O-N 3.49Å; V125-A293 HydrophobicContact CG1-CB 3.96Å; V125-I297 HydrophobicContact CB-CD1 4.03Å; V125-I297 HydrophobicContact CB-CG1 4.3Å; V125-I297 HydrophobicContact CG1-CD1 3.8Å; V125-I297 HydrophobicContact CG1-CG1 3.57Å; V125-I297 HydrophobicContact CG2-CD1 4.26Å; V125-I297 HydrophobicContact CG2-CG1 4.44Å |
| 126 | S | 94.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 49.2 Ų | 49.2 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | S122 E123 T130 | S122-S126 VanDerWaalsContact O-CB 3.31Å; S122-S126 WeakPolarHBondContact O-CB 3.37Å; S122-S126 PolarHBondContact O-N 3.03Å; E123-S126 PolarHBondContact O-N 3.25Å; S126-T130 VanDerWaalsContact O-CB 3.25Å; S126-T130 WeakPolarHBondContact O-CB 3.32Å; S126-T130 PolarHBondContact O-N 3.21Å; S126-T130 PolarHBondContact O-OG1 3.4Å |
| 127 | K | 95.3 | Very high | 93.1 | Very high | 160 Ų | 160 | 50.7 Ų | 50.7 | 70% | 0.696 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 177.4 | -173.1 | 177.6 | 179.5 | -179.7 | 0 | 111.9 | E123 I124 V125 T130 Q131 | E123-K127 WeakPolarHBondContact O-CB 3.46Å; E123-K127 PolarHBondContact O-N 2.73Å; I124-K127 PolarHBondContact O-N 3.31Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.48Å; K127-T130 PolarHBondContact O-N 3.48Å; K127-Q131 WeakPolarHBondContact O-CB 3.41Å; K127-Q131 PolarHBondContact O-N 3.43Å |
| 128 | Q | 94.2 | Very high | 93.4 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 178.5 | -175.2 | -174.8 | 11.8 | 0 | 0 | 111.2 | Y112 I124 V125 T130 Q131 I132 E289 | Y112-Q128 PolarHBondContact OH-OE1 3.08Å; I124-Q128 WeakPolarHBondContact O-CB 3.34Å; I124-Q128 PolarHBondContact O-N 2.63Å; V125-Q128 PolarHBondContact O-N 2.79Å; Q128-T130 PolarHBondContact O-N 3.22Å; Q128-Q131 WeakPolarHBondContact O-CB 3.49Å; Q128-Q131 PolarHBondContact O-N 3.05Å; Q128-I132 HydrophobicContact CG-CD1 4.21Å; Q128-I132 WeakPolarHBondContact O-CG1 3.23Å; Q128-I132 PolarHBondContact O-N 2.85Å; Q128-E289 PolarHBondContact NE2-OE2 2.94Å |
| 129 | V | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.8 | -37 | -177.7 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | F64 V65 V68 V125 Q131 I132 D133 A293 | F64-V129 HydrophobicContact CD1-CG1 4.17Å; F64-V129 HydrophobicContact CE1-CB 4.38Å; F64-V129 HydrophobicContact CE1-CG1 3.78Å; F64-V129 HydrophobicContact CZ-CG1 4.49Å; V65-V129 HydrophobicContact CB-CG1 4.33Å; V65-V129 HydrophobicContact CB-CG2 4.5Å; V65-V129 HydrophobicContact CG1-CG1 4.23Å; V65-V129 HydrophobicContact CG1-CG2 3.94Å; V65-V129 HydrophobicContact CG2-CB 4.27Å; V65-V129 HydrophobicContact CG2-CG1 4.03Å; V65-V129 HydrophobicContact CG2-CG2 3.87Å; V68-V129 HydrophobicContact CB-CG1 3.93Å; V68-V129 HydrophobicContact CG1-CG1 4.04Å; V68-V129 HydrophobicContact CG2-CG1 3.89Å; V125-V129 HydrophobicContact CG1-CG2 4.1Å; V125-V129 WeakPolarHBondContact O-CG2 3.17Å; V125-V129 PolarHBondContact O-N 3.49Å; V129-Q131 VanDerWaalsContact C-N 3.34Å; V129-I132 PolarHBondContact O-N 3Å; V129-D133 PolarHBondContact O-N 2.88Å; V129-A293 HydrophobicContact CG2-CB 4.07Å |
| 130 | T | 96.2 | Very high | 93.9 | Very high | 51 Ų | 51 | 52 Ų | 52 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 174.4 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | S126 K127 Q128 D133 N134 | S126-T130 VanDerWaalsContact O-CB 3.25Å; S126-T130 WeakPolarHBondContact O-CB 3.32Å; S126-T130 PolarHBondContact O-N 3.21Å; S126-T130 PolarHBondContact O-OG1 3.4Å; K127-T130 PolarHBondContact O-N 3.48Å; Q128-T130 PolarHBondContact O-N 3.22Å; T130-D133 PolarHBondContact O-N 3.27Å; T130-N134 PolarHBondContact O-N 3.49Å; T130-N134 PolarHBondContact O-ND2 3.48Å |
| 131 | Q | 95.9 | Very high | 94 | Very high | 113 Ų | 113 | 51.6 Ų | 51.6 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 174.7 | -176.2 | 175.2 | -9 | 0 | 0 | 111.1 | K127 Q128 V129 D133 N134 D135 | K127-Q131 WeakPolarHBondContact O-CB 3.41Å; K127-Q131 PolarHBondContact O-N 3.43Å; Q128-Q131 WeakPolarHBondContact O-CB 3.49Å; Q128-Q131 PolarHBondContact O-N 3.05Å; V129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-D133 PolarHBondContact O-N 2.88Å; Q131-N134 PolarHBondContact O-N 3.04Å; Q131-D135 WeakPolarHBondContact O-CB 3.48Å; Q131-D135 PolarHBondContact O-N 3.37Å |
| 132 | I | 95.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 175.9 | -67.5 | 168.6 | 0 | 0 | 0 | 111.5 | V68 V72 Q128 V129 L136 N286 E289 A290 | V68-I132 HydrophobicContact CG1-CG2 4.21Å; V72-I132 HydrophobicContact CG2-CG2 4.32Å; Q128-I132 HydrophobicContact CG-CD1 4.21Å; Q128-I132 WeakPolarHBondContact O-CG1 3.23Å; Q128-I132 PolarHBondContact O-N 2.85Å; V129-I132 PolarHBondContact O-N 3Å; I132-L136 VanDerWaalsContact O-CB 3.23Å; I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 PolarHBondContact O-N 2.82Å; I132-N286 HydrophobicContact CG1-CB 4.41Å; I132-N286 HydrophobicContact CG2-CB 4.01Å; I132-E289 HydrophobicContact CD1-CB 4.3Å; I132-A290 HydrophobicContact CD1-CB 4.24Å |
| 133 | D | 95.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 179.1 | -178.9 | 53.1 | 0 | 0 | 0 | 112.2 | V68 K71 V129 T130 Q131 L136 K137 | V68-D133 HydrophobicContact CG1-CB 4.15Å; V68-D133 HydrophobicContact CG2-CB 3.88Å; K71-D133 IonicContact NZ-OD1 3.88Å; K71-D133 PolarHBondContact NZ-OD1 3.05Å; V129-D133 PolarHBondContact O-N 2.88Å; T130-D133 PolarHBondContact O-N 3.27Å; Q131-D133 PolarHBondContact O-N 2.88Å; D133-L136 PolarHBondContact O-N 3.39Å; D133-K137 WeakPolarHBondContact O-CG 3.36Å; D133-K137 PolarHBondContact O-N 2.91Å; D133-K137 WeakPolarHBondContact OD1-CE 3.47Å; D133-K137 IonicContact OD1-NZ 2.62Å; D133-K137 WeakPolarHBondContact OD2-CE 3.47Å; D133-K137 IonicContact OD2-NZ 3.84Å; D133-K137 PolarHBondContact OD2-NZ 3.37Å |
| 134 | N | 96.5 | Very high | 94.1 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 178.1 | -72.2 | -24 | 0 | 0 | 0 | 112 | T130 Q131 L136 K137 A138 | T130-N134 PolarHBondContact O-N 3.49Å; T130-N134 PolarHBondContact O-ND2 3.48Å; Q131-N134 PolarHBondContact O-N 3.04Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.38Å; N134-K137 PolarHBondContact O-N 3.36Å; N134-A138 PolarHBondContact O-N 3.34Å |
| 135 | D | 95.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 177.4 | -75.4 | -10.3 | 0 | 0 | 0 | 111.4 | Q131 A138 R139 W282 | Q131-D135 WeakPolarHBondContact O-CB 3.48Å; Q131-D135 PolarHBondContact O-N 3.37Å; D135-A138 PolarHBondContact O-N 2.89Å; D135-R139 WeakPolarHBondContact O-CB 3.36Å; D135-R139 VanDerWaalsContact O-CG 3.31Å; D135-R139 WeakPolarHBondContact O-CG 3.48Å; D135-R139 PolarHBondContact O-N 3.49Å; D135-W282 HydrophobicContact CB-CH2 3.78Å; D135-W282 HydrophobicContact CB-CZ2 3.38Å |
| 136 | L | 94.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -49.9 | 173.8 | 176.5 | 68.2 | 0 | 0 | 0 | 110.5 | K71 V72 Y75 I132 D133 N134 A138 R139 A140 W282 L283 | K71-L136 HydrophobicContact CB-CD2 4.45Å; K71-L136 HydrophobicContact CD-CD2 4.07Å; K71-L136 HydrophobicContact CG-CD2 4.01Å; V72-L136 HydrophobicContact CG2-CD2 3.76Å; Y75-L136 HydrophobicContact CD1-CD1 3.68Å; Y75-L136 HydrophobicContact CE1-CD1 4.36Å; Y75-L136 HydrophobicContact CG-CD1 4.26Å; I132-L136 VanDerWaalsContact O-CB 3.23Å; I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 PolarHBondContact O-N 2.82Å; D133-L136 PolarHBondContact O-N 3.39Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.38Å; L136-A138 PolarHBondContact O-N 2.91Å; L136-R139 PolarHBondContact O-N 3.22Å; L136-A140 WeakPolarHBondContact O-CB 3.46Å; L136-A140 PolarHBondContact O-N 3.49Å; L136-W282 HydrophobicContact CB-CH2 4.11Å; L136-W282 HydrophobicContact CB-CZ3 4.21Å; L136-W282 HydrophobicContact CD1-CZ3 4.15Å; L136-L283 HydrophobicContact CD1-CD2 3.56Å |
| 137 | K | 94.3 | Very high | 93.7 | Very high | 99 Ų | 99 | 57.1 Ų | 57.1 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 178.8 | -73.4 | 170.1 | -170.2 | 158.8 | 0 | 111.9 | D133 N134 S141 | D133-K137 WeakPolarHBondContact O-CG 3.36Å; D133-K137 PolarHBondContact O-N 2.91Å; D133-K137 WeakPolarHBondContact OD1-CE 3.47Å; D133-K137 IonicContact OD1-NZ 2.62Å; D133-K137 WeakPolarHBondContact OD2-CE 3.47Å; D133-K137 IonicContact OD2-NZ 3.84Å; D133-K137 PolarHBondContact OD2-NZ 3.37Å; N134-K137 PolarHBondContact O-N 3.36Å; K137-S141 WeakPolarHBondContact O-CB 3.34Å; K137-S141 PolarHBondContact O-N 2.63Å |
| 138 | A | 94.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 52% | 0.521 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -49.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N134 D135 L136 S141 A142 | N134-A138 PolarHBondContact O-N 3.34Å; D135-A138 PolarHBondContact O-N 2.89Å; L136-A138 PolarHBondContact O-N 2.91Å; A138-S141 PolarHBondContact O-N 3.47Å; A138-A142 PolarHBondContact O-N 2.97Å; A138-A142 VanDerWaalsContact O-N 3.08Å |
| 139 | R | 93 | Very high | 93.3 | Very high | 103 Ų | 103 | 53.2 Ų | 53.2 | 39% | 0.389 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 178.6 | -70.2 | 176.8 | -177.7 | -85.2 | -2.4 | 112 | D135 L136 A142 Y143 L279 | D135-R139 WeakPolarHBondContact O-CB 3.36Å; D135-R139 VanDerWaalsContact O-CG 3.31Å; D135-R139 WeakPolarHBondContact O-CG 3.48Å; D135-R139 PolarHBondContact O-N 3.49Å; L136-R139 PolarHBondContact O-N 3.22Å; R139-A142 PolarHBondContact O-N 3.47Å; R139-Y143 WeakPolarHBondContact O-CB 3.02Å; R139-Y143 PolarHBondContact O-N 2.83Å; R139-L279 HydrophobicContact CB-CD1 4.02Å |
| 140 | A | 91.9 | Very high | 93 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y75 L136 Y143 N144 | Y75-A140 HydrophobicContact CD1-CB 4.39Å; Y75-A140 HydrophobicContact CD2-CB 4.32Å; Y75-A140 HydrophobicContact CE1-CB 3.8Å; Y75-A140 HydrophobicContact CE2-CB 3.74Å; Y75-A140 VanDerWaalsContact CZ-CB 3.46Å; Y75-A140 VanDerWaalsContact OH-CA 3.31Å; Y75-A140 WeakPolarHBondContact OH-CA 3.4Å; L136-A140 WeakPolarHBondContact O-CB 3.46Å; L136-A140 PolarHBondContact O-N 3.49Å; A140-Y143 PolarHBondContact O-N 3.06Å; A140-N144 WeakPolarHBondContact O-CB 3.44Å; A140-N144 PolarHBondContact O-N 2.97Å; A140-N144 PolarHBondContact O-ND2 3.25Å |
| 141 | S | 93.7 | Very high | 92.7 | Very high | 63 Ų | 63 | 55.8 Ų | 55.8 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | K137 A138 Y143 N144 N145 | K137-S141 WeakPolarHBondContact O-CB 3.34Å; K137-S141 PolarHBondContact O-N 2.63Å; A138-S141 PolarHBondContact O-N 3.47Å; S141-Y143 PolarHBondContact O-N 3.42Å; S141-N144 PolarHBondContact O-N 3.44Å; S141-N145 WeakPolarHBondContact O-CB 3.47Å; S141-N145 PolarHBondContact O-N 3.36Å; S141-N145 PolarHBondContact O-ND2 3.21Å |
| 142 | A | 91.4 | Very high | 92.3 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 50% | 0.504 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A138 R139 L146 | A138-A142 PolarHBondContact O-N 2.97Å; A138-A142 VanDerWaalsContact O-N 3.08Å; R139-A142 PolarHBondContact O-N 3.47Å; A142-L146 PolarHBondContact O-N 2.77Å |
| 143 | Y | 91.8 | Very high | 91.7 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 8% | 0.078 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69 | -40.9 | 179.5 | -174.6 | -101.8 | 0 | 0 | 0 | 112.3 | V79 R139 A140 S141 L146 K147 K272 Q275 F276 L279 | V79-Y143 HydrophobicContact CG2-CD1 4.48Å; V79-Y143 HydrophobicContact CG2-CE1 4.36Å; R139-Y143 WeakPolarHBondContact O-CB 3.02Å; R139-Y143 PolarHBondContact O-N 2.83Å; A140-Y143 PolarHBondContact O-N 3.06Å; S141-Y143 PolarHBondContact O-N 3.42Å; Y143-L146 PolarHBondContact O-N 3.1Å; Y143-K147 PolarHBondContact O-N 3.06Å; Y143-K272 HydrophobicContact CE2-CG 4.18Å; Y143-Q275 HydrophobicContact CD2-CB 4.29Å; Y143-F276 HydrophobicContact CE2-CB 4.37Å; Y143-L279 HydrophobicContact CD1-CD2 3.87Å; Y143-L279 HydrophobicContact CD2-CD2 3.78Å; Y143-L279 HydrophobicContact CE1-CD2 4.37Å; Y143-L279 HydrophobicContact CE2-CD2 4.31Å; Y143-L279 HydrophobicContact CG-CD2 3.54Å |
| 144 | N | 91.6 | Very high | 91.2 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 179.1 | -70.1 | -9.8 | 0 | 0 | 0 | 112.1 | Y75 A140 S141 L146 K147 G148 | Y75-N144 PolarHBondContact OH-OD1 3.29Å; A140-N144 WeakPolarHBondContact O-CB 3.44Å; A140-N144 PolarHBondContact O-N 2.97Å; A140-N144 PolarHBondContact O-ND2 3.25Å; S141-N144 PolarHBondContact O-N 3.44Å; N144-L146 VanDerWaalsContact C-N 3.32Å; N144-L146 PolarHBondContact O-N 2.95Å; N144-K147 PolarHBondContact O-N 3.36Å; N144-G148 PolarHBondContact O-N 3Å |
| 145 | N | 92.4 | Very high | 90.6 | Very high | 94 Ų | 94 | 64.9 Ų | 64.9 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 172.7 | -71.7 | -17.6 | 0 | 0 | 0 | 111 | S141 G148 N149 | S141-N145 WeakPolarHBondContact O-CB 3.47Å; S141-N145 PolarHBondContact O-N 3.36Å; S141-N145 PolarHBondContact O-ND2 3.21Å; N145-G148 PolarHBondContact O-N 3.24Å; N145-N149 WeakPolarHBondContact O-CB 3.3Å; N145-N149 PolarHBondContact O-N 3.09Å; N145-N149 PolarHBondContact O-ND2 2.92Å; N145-N149 PolarHBondContact O-OD1 3Å |
| 146 | L | 90.3 | Very high | 89.9 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 177.4 | -165.8 | 152.9 | 0 | 0 | 0 | 111.7 | A142 Y143 N144 G148 N149 L150 L268 D271 K272 | A142-L146 PolarHBondContact O-N 2.77Å; Y143-L146 PolarHBondContact O-N 3.1Å; N144-L146 VanDerWaalsContact C-N 3.32Å; N144-L146 PolarHBondContact O-N 2.95Å; L146-G148 PolarHBondContact O-N 2.85Å; L146-N149 PolarHBondContact O-N 3.25Å; L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 3.36Å; L146-L268 HydrophobicContact CG-CD2 4.47Å; L146-D271 HydrophobicContact CD1-CB 3.84Å; L146-K272 VanDerWaalsContact CD2-CA 3.46Å; L146-K272 HydrophobicContact CD2-CB 3.35Å; L146-K272 HydrophobicContact CD2-CG 3.88Å |
| 147 | K | 89.7 | Confident | 89 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 173.3 | -173.8 | -179.2 | 178.8 | 179.4 | 0 | 111 | E81 Y143 N144 L150 Q151 | E81-K147 IonicContact OE1-NZ 2.76Å; E81-K147 PolarHBondContact OE1-NZ 3.18Å; E81-K147 IonicContact OE2-NZ 3Å; E81-K147 PolarHBondContact OE2-NZ 2.94Å; Y143-K147 PolarHBondContact O-N 3.06Å; N144-K147 PolarHBondContact O-N 3.36Å; K147-L150 PolarHBondContact O-N 2.9Å; K147-Q151 WeakPolarHBondContact O-CB 3.27Å; K147-Q151 PolarHBondContact O-N 3.07Å |
| 148 | G | 90.9 | Very high | 87.9 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 25% | 0.247 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | N144 N145 L146 Q151 N152 | N144-G148 PolarHBondContact O-N 3Å; N145-G148 PolarHBondContact O-N 3.24Å; L146-G148 PolarHBondContact O-N 2.85Å; G148-Q151 PolarHBondContact O-N 3.48Å; G148-N152 WeakPolarHBondContact O-CB 3.45Å; G148-N152 VanDerWaalsContact O-CG 3.24Å; G148-N152 PolarHBondContact O-N 2.98Å; G148-N152 PolarHBondContact O-ND2 3.45Å |
| 149 | N | 90.1 | Very high | 87 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 176 | -72 | -11.1 | 0 | 0 | 0 | 111.5 | N145 L146 N152 L153 | N145-N149 WeakPolarHBondContact O-CB 3.3Å; N145-N149 PolarHBondContact O-N 3.09Å; N145-N149 PolarHBondContact O-ND2 2.92Å; N145-N149 PolarHBondContact O-OD1 3Å; L146-N149 PolarHBondContact O-N 3.25Å; N149-N152 PolarHBondContact O-N 2.95Å; N149-L153 WeakPolarHBondContact O-CG 3.47Å; N149-L153 PolarHBondContact O-N 3.47Å |
| 150 | L | 88.9 | Confident | 86.3 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 177.1 | -177.4 | 145 | 0 | 0 | 0 | 111.4 | L146 K147 N152 L153 E154 L268 S269 K272 | L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 3.36Å; K147-L150 PolarHBondContact O-N 2.9Å; L150-N152 VanDerWaalsContact C-N 3.31Å; L150-N152 PolarHBondContact O-N 3.23Å; L150-L153 PolarHBondContact O-N 3.29Å; L150-E154 HydrophobicContact CD2-CG 4.1Å; L150-E154 VanDerWaalsContact CD2-OE1 3.23Å; L150-E154 WeakPolarHBondContact CD2-OE1 3.36Å; L150-E154 WeakPolarHBondContact CD2-OE2 2.85Å; L150-E154 WeakPolarHBondContact O-CB 3.45Å; L150-E154 WeakPolarHBondContact O-CG 3.47Å; L150-E154 PolarHBondContact O-N 2.83Å; L150-L268 HydrophobicContact CD1-CB 4.33Å; L150-S269 VanDerWaalsContact CD1-CA 3.47Å; L150-K272 HydrophobicContact CD1-CD 4.21Å |
| 151 | Q | 88.5 | Confident | 85.9 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 176.8 | -171.1 | 178.7 | 21.3 | 0 | 0 | 112.1 | K147 G148 E154 R155 | K147-Q151 WeakPolarHBondContact O-CB 3.27Å; K147-Q151 PolarHBondContact O-N 3.07Å; G148-Q151 PolarHBondContact O-N 3.48Å; Q151-E154 PolarHBondContact O-N 3.41Å; Q151-R155 WeakPolarHBondContact O-CB 3.26Å; Q151-R155 VanDerWaalsContact O-CG 3.29Å; Q151-R155 WeakPolarHBondContact O-CG 3.33Å; Q151-R155 PolarHBondContact O-N 2.74Å |
| 152 | N | 87.4 | Confident | 85.2 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.9 | -76 | -22.2 | 0 | 0 | 0 | 111.9 | G148 N149 L150 R155 K156 | G148-N152 WeakPolarHBondContact O-CB 3.45Å; G148-N152 VanDerWaalsContact O-CG 3.24Å; G148-N152 PolarHBondContact O-N 2.98Å; G148-N152 PolarHBondContact O-ND2 3.45Å; N149-N152 PolarHBondContact O-N 2.95Å; L150-N152 VanDerWaalsContact C-N 3.31Å; L150-N152 PolarHBondContact O-N 3.23Å; N152-R155 PolarHBondContact O-N 3.36Å; N152-K156 WeakPolarHBondContact O-CG 3.4Å; N152-K156 PolarHBondContact O-N 2.87Å; N152-K156 VanDerWaalsContact O-N 3.1Å |
| 153 | L | 83.6 | Confident | 84.7 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 18% | 0.183 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 174.5 | -69.2 | 172.3 | 0 | 0 | 0 | 111.5 | N149 L150 R155 K156 N157 E264 M265 L268 | N149-L153 WeakPolarHBondContact O-CG 3.47Å; N149-L153 PolarHBondContact O-N 3.47Å; L150-L153 PolarHBondContact O-N 3.29Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.36Å; L153-K156 WeakPolarHBondContact O-CB 3.47Å; L153-K156 PolarHBondContact O-N 3.42Å; L153-K156 VanDerWaalsContact O-N 3.16Å; L153-N157 PolarHBondContact O-N 3.49Å; L153-E264 HydrophobicContact CD1-CG 4.2Å; L153-M265 HydrophobicContact CB-CE 3.39Å; L153-M265 HydrophobicContact CB-SD 4.12Å; L153-L268 HydrophobicContact CD1-CD1 3.4Å; L153-L268 VanDerWaalsContact CD1-CD1 3.4Å |
| 154 | E | 84.6 | Confident | 84.4 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 176.6 | -76.7 | 177.9 | 160.3 | 0 | 0 | 110.9 | L150 Q151 K156 N157 A158 M265 | L150-E154 HydrophobicContact CD2-CG 4.1Å; L150-E154 VanDerWaalsContact CD2-OE1 3.23Å; L150-E154 WeakPolarHBondContact CD2-OE1 3.36Å; L150-E154 WeakPolarHBondContact CD2-OE2 2.85Å; L150-E154 WeakPolarHBondContact O-CB 3.45Å; L150-E154 WeakPolarHBondContact O-CG 3.47Å; L150-E154 PolarHBondContact O-N 2.83Å; Q151-E154 PolarHBondContact O-N 3.41Å; E154-K156 PolarHBondContact O-N 3.46Å; E154-N157 CarbonylContact O-C 3.56Å; E154-N157 WeakPolarHBondContact O-CA 3.49Å; E154-N157 PolarHBondContact O-N 2.83Å; E154-N157 VanDerWaalsContact O-N 3.08Å; E154-A158 WeakPolarHBondContact O-CB 3.35Å; E154-A158 PolarHBondContact O-N 3.43Å; E154-M265 HydrophobicContact CG-CE 4.17Å; E154-M265 HydrophobicContact CG-SD 4.34Å |
| 155 | R | 84 | Confident | 84 | Confident | 181 Ų | 181 | 68 Ų | 68 | 68% | 0.683 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.2 | -34.1 | 175.1 | -71.6 | -178.9 | 88.9 | 177.1 | 8.2 | 113.2 | Q151 N152 L153 N157 A158 | Q151-R155 WeakPolarHBondContact O-CB 3.26Å; Q151-R155 VanDerWaalsContact O-CG 3.29Å; Q151-R155 WeakPolarHBondContact O-CG 3.33Å; Q151-R155 PolarHBondContact O-N 2.74Å; N152-R155 PolarHBondContact O-N 3.36Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.36Å; R155-N157 PolarHBondContact O-N 3.14Å; R155-A158 CarbonylContact O-C 3.59Å; R155-A158 PolarHBondContact O-N 2.95Å |
| 156 | K | 79.7 | Confident | 83.5 | Confident | 143 Ų | 143 | 63.6 Ų | 63.6 | 62% | 0.622 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.6 | -31.6 | 171.1 | -72.6 | 179 | 178.9 | -176 | 0 | 111.7 | N152 L153 E154 R164 S165 | N152-K156 WeakPolarHBondContact O-CG 3.4Å; N152-K156 PolarHBondContact O-N 2.87Å; N152-K156 VanDerWaalsContact O-N 3.1Å; L153-K156 WeakPolarHBondContact O-CB 3.47Å; L153-K156 PolarHBondContact O-N 3.42Å; L153-K156 VanDerWaalsContact O-N 3.16Å; E154-K156 PolarHBondContact O-N 3.46Å; K156-R164 WeakPolarHBondContact O-CA 3.43Å; K156-S165 PolarHBondContact O-N 2.91Å |
| 157 | N | 76.1 | Confident | 83.1 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -91.5 | -8 | 178.9 | -67 | -9.3 | 0 | 0 | 0 | 113.5 | L153 E154 R155 R164 S165 M265 | L153-N157 PolarHBondContact O-N 3.49Å; E154-N157 CarbonylContact O-C 3.56Å; E154-N157 WeakPolarHBondContact O-CA 3.49Å; E154-N157 PolarHBondContact O-N 2.83Å; E154-N157 VanDerWaalsContact O-N 3.08Å; R155-N157 PolarHBondContact O-N 3.14Å; N157-R164 VanDerWaalsContact O-CD 3.26Å; N157-R164 WeakPolarHBondContact O-CD 3.17Å; N157-R164 WeakPolarHBondContact O-CG 3.29Å; N157-R164 PolarHBondContact O-NE 3.47Å; N157-S165 VanDerWaalsContact OD1-CB 3.26Å; N157-S165 WeakPolarHBondContact OD1-CB 3.48Å; N157-M265 WeakPolarHBondContact ND2-CE 3.23Å |
| 158 | A | 71.8 | Confident | 82.5 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 60% | 0.595 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -121.3 | 104.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | E154 R155 | E154-A158 WeakPolarHBondContact O-CB 3.35Å; E154-A158 PolarHBondContact O-N 3.43Å; R155-A158 CarbonylContact O-C 3.59Å; R155-A158 PolarHBondContact O-N 2.95Å |
| 159 | G | 74.7 | Confident | 82.2 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -179.3 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 160 | S | 80.3 | Confident | 82 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | trans | -67.9 | 160.5 | 171.7 | 64.3 | 0 | 0 | 0 | 0 | 110.8 | L162 T163 R164 | S160-L162 PolarHBondContact O-N 2.81Å; S160-T163 PolarHBondContact O-N 3.38Å; S160-R164 VanDerWaalsContact O-CB 3.25Å; S160-R164 WeakPolarHBondContact O-CB 3.31Å; S160-R164 PolarHBondContact O-N 3.45Å | ||
| 161 | L | 82.3 | Confident | 81.8 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -19.8 | 177.3 | -75.7 | 171.1 | 0 | 0 | 0 | 114.2 | L166 I169 V188 F217 D219 S222 L224 | L161-L166 HydrophobicContact CD2-CD2 4.39Å; L161-I169 HydrophobicContact CD2-CD1 3.73Å; L161-V188 HydrophobicContact CB-CG1 4.13Å; L161-V188 HydrophobicContact CB-CG2 4.2Å; L161-F217 HydrophobicContact CD1-CD1 4.21Å; L161-F217 HydrophobicContact CD2-CD1 3.8Å; L161-F217 HydrophobicContact CD2-CE1 4.46Å; L161-F217 HydrophobicContact CG-CD1 4.34Å; L161-D219 HydrophobicContact CD1-CB 4.01Å; L161-D219 WeakPolarHBondContact CD1-OD2 3.32Å; L161-D219 HydrophobicContact CG-CB 4.18Å; L161-D219 WeakPolarHBondContact CG-OD2 3.45Å; L161-D219 PolarHBondContact N-OD2 3.45Å; L161-S222 WeakPolarHBondContact CD1-O 3.43Å; L161-L224 HydrophobicContact CD1-CB 4.14Å; L161-L224 HydrophobicContact CD2-CB 4.17Å |
| 162 | L | 79.9 | Confident | 81.5 | Confident | 72 Ų | 72 | 67 Ų | 67 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -28.5 | 177.1 | -66.3 | 171.8 | 0 | 0 | 0 | 113.9 | S160 V188 T247 R249 | S160-L162 PolarHBondContact O-N 2.81Å; L162-V188 HydrophobicContact CD2-CB 3.81Å; L162-V188 HydrophobicContact CD2-CG1 3.7Å; L162-V188 HydrophobicContact CD2-CG2 4.15Å; L162-V188 HydrophobicContact CG-CG1 4.14Å; L162-T247 HydrophobicContact CD2-CG2 3.78Å; L162-R249 WeakPolarHBondContact O-CD 3.34Å; L162-R249 PolarHBondContact O-NE 3.36Å; L162-R249 PolarHBondContact O-NH1 2.84Å |
| 163 | T | 81.3 | Confident | 81.3 | Confident | 99 Ų | 99 | 69.5 Ų | 69.5 | 61% | 0.607 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | -24.1 | -171.8 | 58 | 0 | 0 | 0 | 0 | 113.6 | S160 | S160-T163 PolarHBondContact O-N 3.38Š|
| 164 | R | 84.8 | Confident | 81.4 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -63.6 | 148.3 | 178.5 | -179.6 | -179.5 | 172.1 | 178.8 | 3.8 | 112.1 | K156 N157 S160 L166 R249 | K156-R164 WeakPolarHBondContact O-CA 3.43Å; N157-R164 VanDerWaalsContact O-CD 3.26Å; N157-R164 WeakPolarHBondContact O-CD 3.17Å; N157-R164 WeakPolarHBondContact O-CG 3.29Å; N157-R164 PolarHBondContact O-NE 3.47Å; S160-R164 VanDerWaalsContact O-CB 3.25Å; S160-R164 WeakPolarHBondContact O-CB 3.31Å; S160-R164 PolarHBondContact O-N 3.45Å; R164-L166 PolarHBondContact O-N 3.22Å; R164-R249 PolarHBondContact O-NH2 3.08Å |
| 165 | S | 82.1 | Confident | 81.4 | Confident | 28 Ų | 28 | 65 Ų | 65 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | trans | -59.6 | 129.1 | 166.7 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | K156 N157 A167 | K156-S165 PolarHBondContact O-N 2.91Å; N157-S165 VanDerWaalsContact OD1-CB 3.26Å; N157-S165 WeakPolarHBondContact OD1-CB 3.48Å; S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 WeakPolarHBondContact OG-CB 3.41Å; S165-A167 PolarHBondContact OG-N 2.94Å | ||
| 166 | L | 83.4 | Confident | 81.4 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -88 | -3.4 | -179.8 | -55.6 | 178.8 | 0 | 0 | 0 | 112.3 | L161 R164 D168 I169 V170 L186 L224 R249 F251 | L161-L166 HydrophobicContact CD2-CD2 4.39Å; R164-L166 PolarHBondContact O-N 3.22Å; L166-D168 VanDerWaalsContact C-N 3.27Å; L166-D168 PolarHBondContact O-N 2.88Å; L166-I169 HydrophobicContact CD2-CD1 4.1Å; L166-I169 PolarHBondContact O-N 2.9Å; L166-V170 HydrophobicContact CB-CG1 4.1Å; L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 2.99Å; L166-L186 HydrophobicContact CB-CD1 4.45Å; L166-L186 HydrophobicContact CD1-CB 4.49Å; L166-L186 HydrophobicContact CD1-CD1 3.45Å; L166-L186 VanDerWaalsContact CD1-CD1 3.45Å; L166-L224 HydrophobicContact CD1-CD1 4.31Å; L166-L224 HydrophobicContact CD1-CD2 4.44Å; L166-L224 HydrophobicContact CD2-CD1 4.44Å; L166-L224 HydrophobicContact CD2-CD2 3.95Å; L166-R249 HydrophobicContact CD1-CB 4.09Å; L166-R249 HydrophobicContact CD1-CG 4.3Å; L166-F251 HydrophobicContact CB-CD2 4.08Å; L166-F251 HydrophobicContact CB-CE2 4.08Å; L166-F251 HydrophobicContact CD1-CB 4.36Å; L166-F251 HydrophobicContact CD1-CD2 4.42Å; L166-F251 HydrophobicContact CD1-CG 4.44Å |
| 167 | A | 80.9 | Confident | 81.5 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -42.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S165 I169 M258 | S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 WeakPolarHBondContact OG-CB 3.41Å; S165-A167 PolarHBondContact OG-N 2.94Å; A167-I169 VanDerWaalsContact C-N 3.32Å; A167-M258 WeakPolarHBondContact CA-SD 3.36Å; A167-M258 HydrophobicContact CB-CB 4.37Å; A167-M258 HydrophobicContact CB-CE 4.2Å; A167-M258 HydrophobicContact CB-CG 4.25Å; A167-M258 HydrophobicContact CB-SD 3.14Å; A167-M258 WeakPolarHBondContact CB-SD 3.11Å |
| 168 | D | 78.4 | Confident | 81.5 | Confident | 87 Ų | 87 | 61.6 Ų | 61.6 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -7.5 | -177.5 | -70.4 | -37.2 | 0 | 0 | 0 | 113.2 | L166 | L166-D168 VanDerWaalsContact C-N 3.27Å; L166-D168 PolarHBondContact O-N 2.88Å |
| 169 | I | 83.3 | Confident | 81.9 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -42.6 | -172.7 | -65.4 | 171.4 | 0 | 0 | 0 | 111 | L161 L166 A167 F217 L224 | L161-I169 HydrophobicContact CD2-CD1 3.73Å; L166-I169 HydrophobicContact CD2-CD1 4.1Å; L166-I169 PolarHBondContact O-N 2.9Å; A167-I169 VanDerWaalsContact C-N 3.32Å; I169-F217 HydrophobicContact CD1-CD1 4.4Å; I169-F217 HydrophobicContact CD1-CG 4.39Å; I169-F217 HydrophobicContact CG1-CG 4.48Å; I169-F217 HydrophobicContact CG2-CB 3.44Å; I169-F217 VanDerWaalsContact CG2-CB 3.44Å; I169-F217 HydrophobicContact CG2-CD2 4.36Å; I169-F217 HydrophobicContact CG2-CG 4.04Å; I169-L224 HydrophobicContact CG2-CD2 3.79Å |
| 170 | V | 85.5 | Confident | 82.3 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | trans | -92.9 | 145.9 | -169.7 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | L166 F175 L186 L216 L224 F251 Y253 | L166-V170 HydrophobicContact CB-CG1 4.1Å; L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 2.99Å; V170-F175 HydrophobicContact CB-CE2 3.63Å; V170-F175 HydrophobicContact CB-CZ 3.89Å; V170-F175 HydrophobicContact CG1-CE2 4.39Å; V170-F175 HydrophobicContact CG1-CZ 4.18Å; V170-F175 HydrophobicContact CG2-CE2 3.66Å; V170-F175 HydrophobicContact CG2-CZ 3.9Å; V170-L186 HydrophobicContact CG1-CD1 3.81Å; V170-L186 HydrophobicContact CG1-CD2 4.5Å; V170-L216 HydrophobicContact CB-CD1 4.47Å; V170-L216 HydrophobicContact CG1-CD1 3.9Å; V170-L224 HydrophobicContact CG1-CD2 4.24Å; V170-F251 HydrophobicContact CG2-CE1 3.65Å; V170-F251 HydrophobicContact CG2-CZ 3.86Å; V170-Y253 HydrophobicContact CG2-CD2 4.13Å; V170-Y253 HydrophobicContact CG2-CE2 4.36Å | ||
| 171 | K | 84.4 | Confident | 82.6 | Confident | 138 Ų | 138 | 69.2 Ų | 69.2 | 60% | 0.6 | 35% | 0.351 | S | S | * | . | trans | -114.3 | 161.7 | 178.1 | -61 | 177.6 | -177.3 | 176.8 | 0 | 110.8 | D173 D174 F175 | K171-D173 PolarHBondContact O-N 3.02Å; K171-D174 WeakPolarHBondContact CB-OD2 3.43Å; K171-D174 PolarHBondContact N-OD2 3.25Å; K171-D174 WeakPolarHBondContact O-CB 3.39Å; K171-D174 PolarHBondContact O-N 2.99Å; K171-F175 WeakPolarHBondContact O-CD2 3.08Å | ||
| 172 | K | 83.6 | Confident | 82.8 | Confident | 99 Ų | 99 | 71.1 Ų | 71.1 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -52.2 | -41.7 | 174.2 | -166.4 | 171.7 | -171.6 | 151.1 | 0 | 112.6 | D174 F175 L177 Y253 E255 | K172-D174 PolarHBondContact O-N 3.43Å; K172-F175 PolarHBondContact O-N 3.29Å; K172-L177 HydrophobicContact CD-CD1 4.35Å; K172-L177 HydrophobicContact CG-CD1 3.74Å; K172-Y253 HydrophobicContact CB-CE1 4.27Å; K172-Y253 WeakPolarHBondContact CB-OH 3.3Å; K172-Y253 HydrophobicContact CG-CE1 4.15Å; K172-Y253 PolarHBondContact N-OH 3.36Å; K172-E255 IonicContact NZ-OE2 3.87Å; K172-E255 PolarHBondContact NZ-OE2 2.81Å |
| 173 | D | 83.6 | Confident | 83.3 | Confident | 144 Ų | 144 | 69.1 Ų | 69.1 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -67 | -15 | -178.6 | -56.7 | -28.7 | 0 | 0 | 0 | 113.7 | K171 F175 | K171-D173 PolarHBondContact O-N 3.02Å; D173-F175 VanDerWaalsContact C-N 3.31Å |
| 174 | D | 84.3 | Confident | 83.7 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.08 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -84.5 | -8 | 179.9 | -57.7 | -42.7 | 0 | 0 | 0 | 112.4 | K171 K172 T184 K214 L216 | K171-D174 WeakPolarHBondContact CB-OD2 3.43Å; K171-D174 PolarHBondContact N-OD2 3.25Å; K171-D174 WeakPolarHBondContact O-CB 3.39Å; K171-D174 PolarHBondContact O-N 2.99Å; K172-D174 PolarHBondContact O-N 3.43Å; D174-T184 WeakPolarHBondContact O-CG2 3.38Å; D174-K214 IonicContact OD1-NZ 2.73Å; D174-K214 PolarHBondContact OD1-NZ 2.87Å; D174-L216 HydrophobicContact CB-CD1 4.13Å; D174-L216 HydrophobicContact CB-CD2 3.83Å; D174-L216 WeakPolarHBondContact OD1-CD2 3.39Å |
| 175 | F | 85.4 | Confident | 83.9 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -122.2 | 140.4 | -179.3 | -58.5 | -93.8 | 0 | 0 | 0 | 112.5 | V170 K171 K172 D173 L177 T184 L186 F251 Y253 | V170-F175 HydrophobicContact CB-CE2 3.63Å; V170-F175 HydrophobicContact CB-CZ 3.89Å; V170-F175 HydrophobicContact CG1-CE2 4.39Å; V170-F175 HydrophobicContact CG1-CZ 4.18Å; V170-F175 HydrophobicContact CG2-CE2 3.66Å; V170-F175 HydrophobicContact CG2-CZ 3.9Å; K171-F175 WeakPolarHBondContact O-CD2 3.08Å; K172-F175 PolarHBondContact O-N 3.29Å; D173-F175 VanDerWaalsContact C-N 3.31Å; F175-L177 HydrophobicContact CB-CD2 4.04Å; F175-L177 HydrophobicContact CB-CG 4.48Å; F175-L177 PolarHBondContact O-N 3.07Å; F175-T184 HydrophobicContact CD1-CG2 4.09Å; F175-L186 HydrophobicContact CE1-CD1 4.32Å; F175-L186 HydrophobicContact CE1-CD2 4.17Å; F175-L186 HydrophobicContact CE1-CG 4.17Å; F175-L186 HydrophobicContact CZ-CD1 4.02Å; F175-L186 HydrophobicContact CZ-CD2 4.13Å; F175-L186 HydrophobicContact CZ-CG 4.26Å; F175-F251 AromaticContact CE1-CD1 4Å; F175-F251 HydrophobicContact CE1-CD1 4Å; F175-F251 HydrophobicContact CE1-CE1 4.43Å; F175-F251 HydrophobicContact CE2-CE1 4.36Å; F175-F251 AromaticContact CZ-CD1 3.69Å; F175-F251 HydrophobicContact CZ-CD1 3.69Å; F175-F251 AromaticContact CZ-CE1 3.78Å; F175-F251 HydrophobicContact CZ-CE1 3.78Å; F175-Y253 AromaticContact CD2-CD2 3.49Å; F175-Y253 HydrophobicContact CD2-CD2 3.49Å; F175-Y253 VanDerWaalsContact CD2-CD2 3.49Å; F175-Y253 HydrophobicContact CD2-CE2 4.27Å; F175-Y253 AromaticContact CD2-CG 3.74Å; F175-Y253 HydrophobicContact CD2-CG 3.74Å; F175-Y253 AromaticContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CE2 4.21Å; F175-Y253 AromaticContact CE2-CG 3.98Å; F175-Y253 HydrophobicContact CE2-CG 3.98Å; F175-Y253 HydrophobicContact CG-CD2 4.4Å; F175-Y253 HydrophobicContact CG-CG 4.24Å; F175-Y253 HydrophobicContact CZ-CD2 4.22Å |
| 176 | V | 83.6 | Confident | 84.4 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | trans | -79.1 | 102.3 | 163.3 | -176 | 0 | 0 | 0 | 0 | 108.6 | L182 T184 T228 | V176-L182 HydrophobicContact CG1-CB 4.39Å; V176-T184 PolarHBondContact N-OG1 3.41Å; V176-T184 VanDerWaalsContact N-OG1 3.13Å; V176-T228 HydrophobicContact CG2-CG2 3.92Å | ||
| 177 | L | 81.3 | Confident | 84.7 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | trans | -85.4 | 156.6 | 177 | -58.1 | 177.2 | 0 | 0 | 0 | 111.2 | K172 F175 S179 Y253 | K172-L177 HydrophobicContact CD-CD1 4.35Å; K172-L177 HydrophobicContact CG-CD1 3.74Å; F175-L177 HydrophobicContact CB-CD2 4.04Å; F175-L177 HydrophobicContact CB-CG 4.48Å; F175-L177 PolarHBondContact O-N 3.07Å; L177-S179 PolarHBondContact O-N 2.9Å; L177-Y253 HydrophobicContact CD1-CD1 4.26Å; L177-Y253 HydrophobicContact CD1-CE1 4.38Å; L177-Y253 HydrophobicContact CD2-CD1 3.81Å; L177-Y253 HydrophobicContact CD2-CG 4.36Å | ||
| 178 | D | 77 | Confident | 85.3 | Confident | 172 Ų | 172 | 60.2 Ų | 60.2 | 92% | 0.92 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 54.3 | 28.8 | 171.8 | -53.7 | -39.3 | 0 | 0 | 0 | 116.1 | ||
| 179 | S | 80.9 | Confident | 85.9 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | trans | -95.8 | 129 | 172.3 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | L177 Y181 L182 R231 | L177-S179 PolarHBondContact O-N 2.9Å; S179-Y181 VanDerWaalsContact C-N 3.29Å; S179-Y181 PolarHBondContact OG-N 3.36Å; S179-L182 WeakPolarHBondContact OG-CB 3.4Å; S179-L182 PolarHBondContact OG-N 3.31Å; S179-L182 VanDerWaalsContact OG-N 3.09Å; S179-R231 PolarHBondContact O-NE 3.04Å; S179-R231 PolarHBondContact O-NH2 2.86Å | ||
| 180 | E | 82.3 | Confident | 86.3 | Confident | 151 Ų | 151 | 57 Ų | 57 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -67.4 | -30.4 | 172.8 | -68.6 | -172.3 | 167.9 | 0 | 0 | 112.4 | R231 | E180-R231 WeakPolarHBondContact O-CD 3.47Š|
| 181 | Y | 85.5 | Confident | 86.5 | Confident | 151 Ų | 151 | 60.3 Ų | 60.3 | 59% | 0.592 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -111.4 | -30.7 | -169.7 | -58.5 | -66.7 | 0 | 0 | 0 | 113.7 | S179 F230 R231 | S179-Y181 VanDerWaalsContact C-N 3.29Å; S179-Y181 PolarHBondContact OG-N 3.36Å; Y181-F230 CarbonylContact O-C 3.18Å; Y181-F230 VanDerWaalsContact O-CA 3.26Å; Y181-F230 WeakPolarHBondContact O-CA 3.49Å; Y181-R231 PolarHBondContact O-N 3.01Å |
| 182 | L | 88.3 | Confident | 86.8 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 23% | 0.225 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 148.7 | -177 | -59.4 | 176.7 | 0 | 0 | 0 | 111.5 | V176 S179 V209 T228 L229 F230 | V176-L182 HydrophobicContact CG1-CB 4.39Å; S179-L182 WeakPolarHBondContact OG-CB 3.4Å; S179-L182 PolarHBondContact OG-N 3.31Å; S179-L182 VanDerWaalsContact OG-N 3.09Å; L182-V209 HydrophobicContact CD2-CG2 4.2Å; L182-T228 HydrophobicContact CB-CG2 4.18Å; L182-T228 HydrophobicContact CD1-CG2 4.45Å; L182-L229 WeakPolarHBondContact CA-O 3.39Å; L182-F230 HydrophobicContact CD2-CD1 4.27Å; L182-F230 HydrophobicContact CD2-CD2 3.67Å; L182-F230 HydrophobicContact CD2-CE1 4.26Å; L182-F230 HydrophobicContact CD2-CE2 3.65Å; L182-F230 HydrophobicContact CD2-CG 4Å; L182-F230 HydrophobicContact CD2-CZ 3.96Å |
| 183 | V | 89.3 | Confident | 87.2 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.4 | 171.7 | 62.6 | 0 | 0 | 0 | 0 | 108.9 | M185 T228 L229 R231 V234 | V183-M185 HydrophobicContact CG2-SD 4.22Å; V183-T228 WeakPolarHBondContact O-CA 3.34Å; V183-L229 HydrophobicContact CG1-CG 4.38Å; V183-L229 PolarHBondContact N-O 2.93Å; V183-L229 PolarHBondContact O-N 3.29Å; V183-L229 VanDerWaalsContact O-O 3.09Å; V183-R231 HydrophobicContact CB-CG 3.97Å; V183-R231 HydrophobicContact CG1-CG 4.01Å; V183-V234 HydrophobicContact CG1-CG2 3.46Å; V183-V234 VanDerWaalsContact CG1-CG2 3.46Å |
| 184 | T | 90.2 | Very high | 87.5 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.4 | 174 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | D174 F175 V176 V227 T228 | D174-T184 WeakPolarHBondContact O-CG2 3.38Å; F175-T184 HydrophobicContact CD1-CG2 4.09Å; V176-T184 PolarHBondContact N-OG1 3.41Å; V176-T184 VanDerWaalsContact N-OG1 3.13Å; T184-V227 CarbonylContact C-O 3.56Å; T184-V227 WeakPolarHBondContact CA-O 3.23Å; T184-T228 PolarHBondContact OG1-OG1 2.9Å |
| 185 | M | 89.3 | Confident | 87.7 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 152.8 | 179.2 | -63.6 | -63.1 | -67.4 | 0 | 0 | 109.8 | V183 S226 V227 L229 V234 V248 | V183-M185 HydrophobicContact CG2-SD 4.22Å; M185-S226 WeakPolarHBondContact O-CA 3.46Å; M185-V227 PolarHBondContact N-O 3.3Å; M185-V227 PolarHBondContact O-N 3.4Å; M185-L229 HydrophobicContact CB-CD2 4.12Å; M185-L229 HydrophobicContact CG-CD2 3.81Å; M185-V234 HydrophobicContact CE-CG1 4.37Å; M185-V234 HydrophobicContact SD-CG1 4.43Å; M185-V248 HydrophobicContact CB-CG1 4.29Å; M185-V248 HydrophobicContact CE-CG1 3.47Å; M185-V248 VanDerWaalsContact CE-CG1 3.47Å |
| 186 | L | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.6 | 175.7 | -60.5 | 178.3 | 0 | 0 | 0 | 109.9 | L166 V170 F175 L216 L224 F225 R249 F251 | L166-L186 HydrophobicContact CB-CD1 4.45Å; L166-L186 HydrophobicContact CD1-CB 4.49Å; L166-L186 HydrophobicContact CD1-CD1 3.45Å; L166-L186 VanDerWaalsContact CD1-CD1 3.45Å; V170-L186 HydrophobicContact CG1-CD1 3.81Å; V170-L186 HydrophobicContact CG1-CD2 4.5Å; F175-L186 HydrophobicContact CE1-CD1 4.32Å; F175-L186 HydrophobicContact CE1-CD2 4.17Å; F175-L186 HydrophobicContact CE1-CG 4.17Å; F175-L186 HydrophobicContact CZ-CD1 4.02Å; F175-L186 HydrophobicContact CZ-CD2 4.13Å; F175-L186 HydrophobicContact CZ-CG 4.26Å; L186-L216 HydrophobicContact CD2-CD1 3.59Å; L186-L224 HydrophobicContact CB-CD1 4.06Å; L186-F225 CarbonylContact C-O 3.58Å; L186-F225 WeakPolarHBondContact CA-O 3.34Å; L186-R249 HydrophobicContact CB-CB 4.28Å; L186-R249 PolarHBondContact O-N 3Å; L186-F251 HydrophobicContact CD1-CB 3.83Å; L186-F251 HydrophobicContact CD1-CD1 3.87Å; L186-F251 HydrophobicContact CD1-CG 3.96Å |
| 187 | V | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.9 | -176.9 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | V189 W197 F225 F237 F246 V248 | V187-V189 HydrophobicContact CG1-CG2 4.06Å; V187-W197 HydrophobicContact CB-CH2 3.74Å; V187-W197 HydrophobicContact CB-CZ2 3.96Å; V187-W197 HydrophobicContact CG1-CH2 3.63Å; V187-W197 HydrophobicContact CG1-CZ2 4.2Å; V187-W197 HydrophobicContact CG1-CZ3 3.9Å; V187-W197 HydrophobicContact CG2-CH2 3.72Å; V187-W197 HydrophobicContact CG2-CZ2 4.15Å; V187-F225 PolarHBondContact N-O 2.76Å; V187-F225 PolarHBondContact O-N 3.05Å; V187-F237 HydrophobicContact CG2-CE1 4.02Å; V187-F237 HydrophobicContact CG2-CZ 4.47Å; V187-F246 HydrophobicContact CG1-CB 3.8Å; V187-V248 HydrophobicContact CG1-CG2 4.49Å; V187-V248 HydrophobicContact CG2-CG2 4.14Å |
| 188 | V | 92.2 | Very high | 88.5 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.7 | 173.3 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | L161 L162 G223 L224 T247 R249 | L161-V188 HydrophobicContact CB-CG1 4.13Å; L161-V188 HydrophobicContact CB-CG2 4.2Å; L162-V188 HydrophobicContact CD2-CB 3.81Å; L162-V188 HydrophobicContact CD2-CG1 3.7Å; L162-V188 HydrophobicContact CD2-CG2 4.15Å; L162-V188 HydrophobicContact CG-CG1 4.14Å; V188-G223 WeakPolarHBondContact CA-O 3.29Å; V188-L224 HydrophobicContact CG2-CD1 3.89Å; V188-T247 PolarHBondContact N-O 3Å; V188-T247 PolarHBondContact O-N 3.01Å; V188-R249 HydrophobicContact CG2-CG 3.72Å |
| 189 | V | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.7 | -177.1 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | V187 N193 Y194 W197 S222 G223 F225 F246 | V187-V189 HydrophobicContact CG1-CG2 4.06Å; V189-N193 HydrophobicContact CG1-CB 4.29Å; V189-Y194 HydrophobicContact CB-CD1 4.29Å; V189-Y194 HydrophobicContact CB-CE1 4.3Å; V189-Y194 HydrophobicContact CG1-CD1 3.84Å; V189-Y194 HydrophobicContact CG1-CE1 4.29Å; V189-Y194 WeakPolarHBondContact O-CE1 3.41Å; V189-W197 HydrophobicContact CG1-CB 3.86Å; V189-W197 HydrophobicContact CG1-CG 4.26Å; V189-W197 HydrophobicContact CG2-CB 4.33Å; V189-W197 HydrophobicContact CG2-CD2 3.7Å; V189-W197 HydrophobicContact CG2-CE3 3.98Å; V189-W197 HydrophobicContact CG2-CG 3.86Å; V189-S222 CarbonylContact O-C 3.56Å; V189-S222 WeakPolarHBondContact O-CA 3.36Å; V189-S222 WeakPolarHBondContact O-CB 3.12Å; V189-G223 PolarHBondContact N-O 3.4Å; V189-G223 PolarHBondContact O-N 2.99Å; V189-F225 HydrophobicContact CB-CD2 3.96Å; V189-F225 HydrophobicContact CB-CE2 3.97Å; V189-F225 HydrophobicContact CG2-CD2 3.74Å; V189-F225 HydrophobicContact CG2-CE2 4.23Å; V189-F246 HydrophobicContact CB-CD1 4.35Å; V189-F246 HydrophobicContact CG1-CD1 3.86Å; V189-F246 HydrophobicContact CG1-CE1 3.76Å; V189-F246 HydrophobicContact CG2-CD1 4.04Å |
| 190 | P | 91.8 | Very high | 89.4 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 145 | 171.6 | -21.4 | 33.6 | 0 | 0 | 0 | 111.8 | T192 N193 Y194 | P190-T192 PolarHBondContact O-N 3.35Å; P190-T192 VanDerWaalsContact O-N 3.14Å; P190-N193 PolarHBondContact O-N 3.48Å; P190-Y194 VanDerWaalsContact O-CD1 3.27Å; P190-Y194 WeakPolarHBondContact O-CD1 3.36Å |
| 191 | K | 89.9 | Confident | 89.6 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -54.2 | -35.8 | 179.9 | -76.4 | -171.6 | -171.5 | -163.4 | 0 | 114 | N193 Y194 E218 D219 N220 D221 | K191-N193 PolarHBondContact O-N 3.36Å; K191-N193 VanDerWaalsContact O-N 3.14Å; K191-Y194 VanDerWaalsContact CA-CE1 3.5Å; K191-Y194 HydrophobicContact CB-CE1 4.45Å; K191-Y194 HydrophobicContact CG-CE1 4.17Å; K191-Y194 HydrophobicContact CG-CE2 4.13Å; K191-Y194 WeakPolarHBondContact CG-OH 3.34Å; K191-Y194 PolarHBondContact O-N 3.45Å; K191-E218 WeakPolarHBondContact CE-OE1 3.47Å; K191-E218 IonicContact NZ-OE1 2.67Å; K191-E218 PolarHBondContact NZ-OE1 3.44Å; K191-D219 WeakPolarHBondContact CE-O 3.35Å; K191-D219 PolarHBondContact NZ-O 3.2Å; K191-N220 VanDerWaalsContact CE-O 3.28Å; K191-N220 WeakPolarHBondContact CE-O 3.19Å; K191-N220 PolarHBondContact NZ-O 2.94Å; K191-D221 PolarHBondContact N-O 3.45Å |
| 192 | T | 90.5 | Very high | 89.8 | Confident | 121 Ų | 121 | 48.4 Ų | 48.4 | 74% | 0.742 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -59.9 | -23.6 | 177.5 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | P190 | P190-T192 PolarHBondContact O-N 3.35Å; P190-T192 VanDerWaalsContact O-N 3.14Å |
| 193 | N | 91 | Very high | 89.7 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -113.7 | 14.4 | -171 | -63.8 | 31.4 | 0 | 0 | 0 | 112.8 | V189 P190 K191 L195 D196 W197 F246 | V189-N193 HydrophobicContact CG1-CB 4.29Å; P190-N193 PolarHBondContact O-N 3.48Å; K191-N193 PolarHBondContact O-N 3.36Å; K191-N193 VanDerWaalsContact O-N 3.14Å; N193-L195 PolarHBondContact O-N 2.89Å; N193-D196 PolarHBondContact O-N 3.43Å; N193-W197 WeakPolarHBondContact O-CB 3.37Å; N193-W197 PolarHBondContact O-N 2.96Å; N193-F246 HydrophobicContact CB-CE1 3.95Å |
| 194 | Y | 90.5 | Very high | 89.5 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | -179.7 | -78.5 | 9 | 0 | 0 | 0 | 113.2 | V189 P190 K191 D196 W197 Q198 S222 G223 F225 | V189-Y194 HydrophobicContact CB-CD1 4.29Å; V189-Y194 HydrophobicContact CB-CE1 4.3Å; V189-Y194 HydrophobicContact CG1-CD1 3.84Å; V189-Y194 HydrophobicContact CG1-CE1 4.29Å; V189-Y194 WeakPolarHBondContact O-CE1 3.41Å; P190-Y194 VanDerWaalsContact O-CD1 3.27Å; P190-Y194 WeakPolarHBondContact O-CD1 3.36Å; K191-Y194 VanDerWaalsContact CA-CE1 3.5Å; K191-Y194 HydrophobicContact CB-CE1 4.45Å; K191-Y194 HydrophobicContact CG-CE1 4.17Å; K191-Y194 HydrophobicContact CG-CE2 4.13Å; K191-Y194 WeakPolarHBondContact CG-OH 3.34Å; K191-Y194 PolarHBondContact O-N 3.45Å; Y194-D196 VanDerWaalsContact C-N 3.31Å; Y194-W197 PolarHBondContact O-N 2.83Å; Y194-Q198 WeakPolarHBondContact O-CG 3.07Å; Y194-Q198 PolarHBondContact O-N 3.33Å; Y194-Q198 VanDerWaalsContact O-N 3.08Å; Y194-S222 VanDerWaalsContact OH-C 3.24Å; Y194-S222 PolarHBondContact OH-O 3.41Å; Y194-G223 WeakPolarHBondContact OH-CA 3.22Å; Y194-G223 PolarHBondContact OH-N 3.2Å; Y194-F225 AromaticContact CD1-CE2 3.92Å; Y194-F225 HydrophobicContact CD1-CE2 3.92Å; Y194-F225 HydrophobicContact CD1-CZ 4.12Å; Y194-F225 HydrophobicContact CD2-CZ 4.26Å; Y194-F225 AromaticContact CE1-CE2 3.69Å; Y194-F225 HydrophobicContact CE1-CE2 3.69Å; Y194-F225 HydrophobicContact CE1-CZ 4.11Å; Y194-F225 HydrophobicContact CE2-CZ 4.27Å; Y194-F225 HydrophobicContact CG-CE2 4.46Å; Y194-F225 HydrophobicContact CG-CZ 4.2Å |
| 195 | L | 88.8 | Confident | 89.2 | Confident | 121 Ų | 121 | 50.4 Ų | 50.4 | 63% | 0.634 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.9 | -37 | 179.2 | -66.9 | 174 | 0 | 0 | 0 | 111.5 | N193 K199 | N193-L195 PolarHBondContact O-N 2.89Å; L195-K199 WeakPolarHBondContact O-CG 3.31Å; L195-K199 PolarHBondContact O-N 3.39Å |
| 196 | D | 89.6 | Confident | 88.8 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.2 | -46 | 176.6 | -64.2 | -21.8 | 0 | 0 | 0 | 109.7 | N193 Y194 Q198 K199 T200 | N193-D196 PolarHBondContact O-N 3.43Å; Y194-D196 VanDerWaalsContact C-N 3.31Å; D196-Q198 VanDerWaalsContact C-N 3.35Å; D196-Q198 PolarHBondContact O-N 2.96Å; D196-K199 PolarHBondContact O-N 3.49Å; D196-T200 PolarHBondContact O-N 2.9Å; D196-T200 PolarHBondContact O-OG1 2.86Å |
| 197 | W | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -51.3 | -51.4 | 174.8 | 173.4 | -107.2 | 0 | 0 | 0 | 112.6 | V187 V189 N193 Y194 K199 T200 Y201 L204 T213 F225 V227 F237 F246 | V187-W197 HydrophobicContact CB-CH2 3.74Å; V187-W197 HydrophobicContact CB-CZ2 3.96Å; V187-W197 HydrophobicContact CG1-CH2 3.63Å; V187-W197 HydrophobicContact CG1-CZ2 4.2Å; V187-W197 HydrophobicContact CG1-CZ3 3.9Å; V187-W197 HydrophobicContact CG2-CH2 3.72Å; V187-W197 HydrophobicContact CG2-CZ2 4.15Å; V189-W197 HydrophobicContact CG1-CB 3.86Å; V189-W197 HydrophobicContact CG1-CG 4.26Å; V189-W197 HydrophobicContact CG2-CB 4.33Å; V189-W197 HydrophobicContact CG2-CD2 3.7Å; V189-W197 HydrophobicContact CG2-CE3 3.98Å; V189-W197 HydrophobicContact CG2-CG 3.86Å; N193-W197 WeakPolarHBondContact O-CB 3.37Å; N193-W197 PolarHBondContact O-N 2.96Å; Y194-W197 PolarHBondContact O-N 2.83Å; W197-K199 PolarHBondContact O-N 3.47Å; W197-T200 PolarHBondContact O-N 3.37Å; W197-Y201 VanDerWaalsContact O-CB 3.31Å; W197-Y201 WeakPolarHBondContact O-CB 3.3Å; W197-Y201 WeakPolarHBondContact O-CD1 3.41Å; W197-Y201 PolarHBondContact O-N 2.91Å; W197-L204 HydrophobicContact CZ3-CD1 3.91Å; W197-T213 PolarHBondContact NE1-OG1 2.92Å; W197-F225 HydrophobicContact CZ2-CB 4.37Å; W197-F225 AromaticContact NE1-CD1 3.92Å; W197-F225 AromaticContact NE1-CG 3.68Å; W197-V227 HydrophobicContact CH2-CG2 3.97Å; W197-V227 HydrophobicContact CZ2-CG2 3.39Å; W197-F237 AromaticContact CH2-CZ 3.85Å; W197-F237 HydrophobicContact CH2-CZ 3.85Å; W197-F237 HydrophobicContact CZ3-CZ 4.47Å; W197-F246 HydrophobicContact CB-CE1 4.24Å; W197-F246 HydrophobicContact CB-CZ 4.15Å; W197-F246 HydrophobicContact CE3-CB 4.5Å; W197-F246 HydrophobicContact CE3-CD1 4.11Å; W197-F246 AromaticContact CE3-CD2 3.5Å; W197-F246 HydrophobicContact CE3-CD2 3.5Å; W197-F246 HydrophobicContact CE3-CE1 4.17Å; W197-F246 AromaticContact CE3-CE2 3.58Å; W197-F246 HydrophobicContact CE3-CE2 3.58Å; W197-F246 AromaticContact CE3-CG 3.78Å; W197-F246 HydrophobicContact CE3-CG 3.78Å; W197-F246 AromaticContact CE3-CZ 3.92Å; W197-F246 HydrophobicContact CE3-CZ 3.92Å; W197-F246 HydrophobicContact CZ3-CB 4.21Å; W197-F246 AromaticContact CZ3-CD2 3.6Å; W197-F246 HydrophobicContact CZ3-CD2 3.6Å; W197-F246 HydrophobicContact CZ3-CE2 4.09Å; W197-F246 AromaticContact CZ3-CG 3.92Å; W197-F246 HydrophobicContact CZ3-CG 3.92Å |
| 198 | Q | 87.3 | Confident | 88.6 | Confident | 108 Ų | 108 | 62.6 Ų | 62.6 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -28.7 | -179.3 | -74.2 | -179.2 | -6.9 | 0 | 0 | 113.6 | Y194 D196 Y201 | Y194-Q198 WeakPolarHBondContact O-CG 3.07Å; Y194-Q198 PolarHBondContact O-N 3.33Å; Y194-Q198 VanDerWaalsContact O-N 3.08Å; D196-Q198 VanDerWaalsContact C-N 3.35Å; D196-Q198 PolarHBondContact O-N 2.96Å; Q198-Y201 WeakPolarHBondContact O-CD1 3.4Å; Q198-Y201 WeakPolarHBondContact O-CE1 3.07Å |
| 199 | K | 88.3 | Confident | 88.4 | Confident | 155 Ų | 155 | 64.7 Ų | 64.7 | 67% | 0.674 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -83.5 | -38.2 | 178.1 | -69.7 | 173.4 | -174.9 | 174 | 0 | 112.4 | L195 D196 W197 | L195-K199 WeakPolarHBondContact O-CG 3.31Å; L195-K199 PolarHBondContact O-N 3.39Å; D196-K199 PolarHBondContact O-N 3.49Å; W197-K199 PolarHBondContact O-N 3.47Å |
| 200 | T | 87.5 | Confident | 88.2 | Confident | 48 Ų | 48 | 68.6 Ų | 68.6 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -96.9 | -22.4 | -167.6 | -24.8 | 0 | 0 | 0 | 0 | 113.3 | D196 W197 E202 T203 L204 | D196-T200 PolarHBondContact O-N 2.9Å; D196-T200 PolarHBondContact O-OG1 2.86Å; W197-T200 PolarHBondContact O-N 3.37Å; T200-E202 VanDerWaalsContact C-N 3.27Å; T200-E202 PolarHBondContact O-N 3.44Å; T200-T203 PolarHBondContact O-N 3.31Å; T200-T203 PolarHBondContact O-OG1 3.06Å; T200-T203 VanDerWaalsContact O-OG1 3.05Å; T200-L204 WeakPolarHBondContact O-CG 3.31Å; T200-L204 PolarHBondContact O-N 2.95Å; T200-L204 VanDerWaalsContact O-N 3.14Å |
| 201 | Y | 87.4 | Confident | 87.9 | Confident | 9 Ų | 9 | 77.6 Ų | 77.6 | 4% | 0.035 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.1 | -33.3 | -169.9 | 84 | -74.7 | 0 | 0 | 0 | 114.2 | W197 Q198 T203 V208 R211 T213 V227 | W197-Y201 VanDerWaalsContact O-CB 3.31Å; W197-Y201 WeakPolarHBondContact O-CB 3.3Å; W197-Y201 WeakPolarHBondContact O-CD1 3.41Å; W197-Y201 PolarHBondContact O-N 2.91Å; Q198-Y201 WeakPolarHBondContact O-CD1 3.4Å; Q198-Y201 WeakPolarHBondContact O-CE1 3.07Å; Y201-T203 VanDerWaalsContact C-N 3.3Å; Y201-T203 PolarHBondContact O-N 3.41Å; Y201-V208 HydrophobicContact CD2-CG1 4.4Å; Y201-R211 WeakPolarHBondContact OH-CA 3.49Å; Y201-R211 PolarHBondContact OH-N 3.5Å; Y201-T213 HydrophobicContact CD1-CG2 4.26Å; Y201-T213 HydrophobicContact CD2-CG2 4.35Å; Y201-T213 HydrophobicContact CE1-CG2 3.72Å; Y201-T213 HydrophobicContact CE2-CG2 3.81Å; Y201-T213 VanDerWaalsContact CZ-CG2 3.47Å; Y201-V227 HydrophobicContact CD2-CG1 4.33Å; Y201-V227 HydrophobicContact CD2-CG2 4.19Å |
| 202 | E | 88.1 | Confident | 87.8 | Confident | 81 Ų | 81 | 74.9 Ų | 74.9 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.4 | -28.9 | 179.2 | -58 | -174 | 157.8 | 0 | 0 | 112.3 | T200 R211 | T200-E202 VanDerWaalsContact C-N 3.27Å; T200-E202 PolarHBondContact O-N 3.44Å; E202-R211 PolarHBondContact OE1-N 2.9Å |
| 203 | T | 87.9 | Confident | 87.8 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 68% | 0.681 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -101.3 | -1.1 | -177 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | T200 Y201 | T200-T203 PolarHBondContact O-N 3.31Å; T200-T203 PolarHBondContact O-OG1 3.06Å; T200-T203 VanDerWaalsContact O-OG1 3.05Å; Y201-T203 VanDerWaalsContact C-N 3.3Å; Y201-T203 PolarHBondContact O-N 3.41Å |
| 204 | L | 83.8 | Confident | 87.7 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 178.2 | -78.7 | 170.4 | 0 | 0 | 0 | 110.5 | W197 T200 F237 K240 N244 | W197-L204 HydrophobicContact CZ3-CD1 3.91Å; T200-L204 WeakPolarHBondContact O-CG 3.31Å; T200-L204 PolarHBondContact O-N 2.95Å; T200-L204 VanDerWaalsContact O-N 3.14Å; L204-F237 HydrophobicContact CB-CD2 3.96Å; L204-F237 HydrophobicContact CB-CE2 3.96Å; L204-F237 HydrophobicContact CD1-CD2 4.42Å; L204-F237 HydrophobicContact CD1-CE2 3.76Å; L204-F237 HydrophobicContact CD1-CZ 4.22Å; L204-K240 HydrophobicContact CD2-CB 4.07Å; L204-K240 WeakPolarHBondContact O-CD 3.17Å; L204-K240 WeakPolarHBondContact O-CE 3.4Å; L204-K240 PolarHBondContact O-NZ 3.04Å; L204-N244 VanDerWaalsContact CD2-ND2 3.33Å; L204-N244 WeakPolarHBondContact CD2-ND2 3.29Å |
| 205 | A | 84.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 2% | 0.017 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -136.2 | 152.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M207 V208 A233 F237 | A205-M207 VanDerWaalsContact C-N 3.28Å; A205-M207 PolarHBondContact O-N 3.27Å; A205-V208 HydrophobicContact CB-CG2 3.95Å; A205-V208 WeakPolarHBondContact O-CG2 3.37Å; A205-V208 PolarHBondContact O-N 3Å; A205-A233 HydrophobicContact CB-CB 4.38Å; A205-F237 HydrophobicContact CB-CB 4.16Å; A205-F237 HydrophobicContact CB-CD2 4.28Å |
| 206 | E | 80.2 | Confident | 87.7 | Confident | 193 Ų | 193 | 72.2 Ų | 72.2 | 90% | 0.902 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -31.3 | -172.4 | -169.4 | 177.2 | -178 | 0 | 0 | 113.2 | ||
| 207 | M | 88.5 | Confident | 87.7 | Confident | 70 Ų | 70 | 72.2 Ų | 72.2 | 35% | 0.345 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 42.2 | -176.7 | -56.5 | -177.9 | -78.2 | 0 | 0 | 112.8 | A205 L229 F230 K232 A233 | A205-M207 VanDerWaalsContact C-N 3.28Å; A205-M207 PolarHBondContact O-N 3.27Å; M207-L229 WeakPolarHBondContact O-CA 3.34Å; M207-F230 HydrophobicContact CB-CB 3.73Å; M207-F230 HydrophobicContact CB-CD2 3.82Å; M207-F230 HydrophobicContact CB-CG 3.97Å; M207-F230 WeakPolarHBondContact O-CD2 3.44Å; M207-F230 PolarHBondContact O-N 3.41Å; M207-F230 HydrophobicContact SD-CB 4.13Å; M207-F230 HydrophobicContact SD-CG 4.4Å; M207-K232 HydrophobicContact CE-CB 3.55Å; M207-K232 HydrophobicContact SD-CB 4.49Å; M207-A233 HydrophobicContact CB-CB 3.91Å; M207-A233 HydrophobicContact CE-CB 3.71Å |
| 208 | V | 89.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 76.3 Ų | 76.3 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -92.9 | 138.8 | 171.2 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | Y201 A205 P210 V227 L229 F237 | Y201-V208 HydrophobicContact CD2-CG1 4.4Å; A205-V208 HydrophobicContact CB-CG2 3.95Å; A205-V208 WeakPolarHBondContact O-CG2 3.37Å; A205-V208 PolarHBondContact O-N 3Å; V208-P210 VanDerWaalsContact O-CD 3.31Å; V208-P210 WeakPolarHBondContact O-CD 3.31Å; V208-V227 HydrophobicContact CG1-CG1 3.96Å; V208-L229 HydrophobicContact CG2-CB 4.28Å; V208-F237 HydrophobicContact CG2-CD2 3.83Å; V208-F237 HydrophobicContact CG2-CE2 4.05Å |
| 209 | V | 88.4 | Confident | 87.5 | Confident | 48 Ų | 48 | 72.7 Ų | 72.7 | 29% | 0.291 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 117.4 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | L182 S212 T228 | L182-V209 HydrophobicContact CD2-CG2 4.2Å; V209-S212 WeakPolarHBondContact O-CB 3.25Å; V209-S212 PolarHBondContact O-N 3.47Å; V209-S212 PolarHBondContact O-OG 3.43Å; V209-T228 WeakPolarHBondContact CB-O 3.33Å; V209-T228 HydrophobicContact CG2-CG2 4.19Å; V209-T228 PolarHBondContact N-O 3.38Å |
| 210 | P | 87.3 | Confident | 87.3 | Confident | 81 Ų | 81 | 72.3 Ų | 72.3 | 53% | 0.526 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 149 | 179.1 | -21.2 | 33.8 | 0 | 0 | 0 | 111.7 | V208 S212 | V208-P210 VanDerWaalsContact O-CD 3.31Å; V208-P210 WeakPolarHBondContact O-CD 3.31Å; P210-S212 PolarHBondContact O-N 3.04Å; P210-S212 VanDerWaalsContact O-N 3.13Å |
| 211 | R | 86.4 | Confident | 87.2 | Confident | 228 Ų | 228 | 76.2 Ų | 76.2 | 86% | 0.86 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 21.6 | -176.7 | -58 | -177.4 | -71.9 | -178.9 | -4 | 115.1 | Y201 E202 | Y201-R211 WeakPolarHBondContact OH-CA 3.49Å; Y201-R211 PolarHBondContact OH-N 3.5Å; E202-R211 PolarHBondContact OE1-N 2.9Å |
| 212 | S | 87.7 | Confident | 87.3 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 16% | 0.161 | 38% | 0.384 | C | S | . | . | trans | -86.3 | -10.5 | 176.7 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | V209 P210 T228 | V209-S212 WeakPolarHBondContact O-CB 3.25Å; V209-S212 PolarHBondContact O-N 3.47Å; V209-S212 PolarHBondContact O-OG 3.43Å; P210-S212 PolarHBondContact O-N 3.04Å; P210-S212 VanDerWaalsContact O-N 3.13Å; S212-T228 PolarHBondContact OG-N 3.05Å; S212-T228 PolarHBondContact OG-O 3.28Å | ||
| 213 | T | 89.8 | Confident | 87.5 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 22% | 0.221 | 37% | 0.366 | C | S | . | . | trans | -76.8 | 132.8 | -175.6 | -164.2 | 0 | 0 | 0 | 0 | 112.9 | W197 Y201 S226 | W197-T213 PolarHBondContact NE1-OG1 2.92Å; Y201-T213 HydrophobicContact CD1-CG2 4.26Å; Y201-T213 HydrophobicContact CD2-CG2 4.35Å; Y201-T213 HydrophobicContact CE1-CG2 3.72Å; Y201-T213 HydrophobicContact CE2-CG2 3.81Å; Y201-T213 VanDerWaalsContact CZ-CG2 3.47Å; T213-S226 WeakPolarHBondContact CA-O 3.35Å; T213-S226 PolarHBondContact OG1-O 3.06Å | ||
| 214 | K | 89 | Confident | 87.6 | Confident | 108 Ų | 108 | 67.5 Ų | 67.5 | 47% | 0.47 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 134.2 | 176.3 | -175.1 | -174.9 | 175.2 | -166.7 | 0 | 109.8 | D174 L216 F225 S226 | D174-K214 IonicContact OD1-NZ 2.73Å; D174-K214 PolarHBondContact OD1-NZ 2.87Å; K214-L216 HydrophobicContact CD-CD2 4.13Å; K214-L216 HydrophobicContact CG-CD2 4.24Å; K214-L216 PolarHBondContact O-N 3.38Å; K214-F225 CarbonylContact O-C 3.35Å; K214-F225 VanDerWaalsContact O-CA 3.29Å; K214-F225 WeakPolarHBondContact O-CA 3.34Å; K214-S226 PolarHBondContact N-O 2.93Å; K214-S226 PolarHBondContact O-N 3.3Å; K214-S226 PolarHBondContact O-OG 2.69Å |
| 215 | Q | 90.2 | Very high | 88 | Confident | 84 Ų | 84 | 67.4 Ų | 67.4 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 118 | 172.5 | -170.2 | 176 | -27.8 | 0 | 0 | 109.1 | E218 F225 | Q215-E218 PolarHBondContact NE2-OE2 3.09Å; Q215-F225 HydrophobicContact CB-CD1 3.91Å; Q215-F225 HydrophobicContact CB-CE1 3.58Å; Q215-F225 HydrophobicContact CB-CZ 4.27Å; Q215-F225 HydrophobicContact CG-CD1 4.35Å; Q215-F225 HydrophobicContact CG-CE1 3.83Å; Q215-F225 HydrophobicContact CG-CZ 4Å |
| 216 | L | 89.7 | Confident | 88.4 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -41.6 | -179 | -56.8 | -171.1 | 0 | 0 | 0 | 111.7 | V170 D174 L186 K214 L224 | V170-L216 HydrophobicContact CB-CD1 4.47Å; V170-L216 HydrophobicContact CG1-CD1 3.9Å; D174-L216 HydrophobicContact CB-CD1 4.13Å; D174-L216 HydrophobicContact CB-CD2 3.83Å; D174-L216 WeakPolarHBondContact OD1-CD2 3.39Å; L186-L216 HydrophobicContact CD2-CD1 3.59Å; K214-L216 HydrophobicContact CD-CD2 4.13Å; K214-L216 HydrophobicContact CG-CD2 4.24Å; K214-L216 PolarHBondContact O-N 3.38Å; L216-L224 HydrophobicContact CB-CD2 4.3Å; L216-L224 HydrophobicContact CD1-CD2 4.34Å; L216-L224 PolarHBondContact N-O 2.96Å |
| 217 | F | 88.8 | Confident | 88.9 | Confident | 82 Ų | 82 | 58.3 Ų | 58.3 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 152.5 | -177.2 | -170.1 | -92.6 | 0 | 0 | 0 | 111.2 | L161 I169 D219 G223 L224 | L161-F217 HydrophobicContact CD1-CD1 4.21Å; L161-F217 HydrophobicContact CD2-CD1 3.8Å; L161-F217 HydrophobicContact CD2-CE1 4.46Å; L161-F217 HydrophobicContact CG-CD1 4.34Å; I169-F217 HydrophobicContact CD1-CD1 4.4Å; I169-F217 HydrophobicContact CD1-CG 4.39Å; I169-F217 HydrophobicContact CG1-CG 4.48Å; I169-F217 HydrophobicContact CG2-CB 3.44Å; I169-F217 VanDerWaalsContact CG2-CB 3.44Å; I169-F217 HydrophobicContact CG2-CD2 4.36Å; I169-F217 HydrophobicContact CG2-CG 4.04Å; F217-D219 HydrophobicContact CE1-CB 4.22Å; F217-G223 WeakPolarHBondContact O-CA 3.34Å; F217-L224 HydrophobicContact CB-CB 4.43Å; F217-L224 PolarHBondContact O-N 2.85Å |
| 218 | E | 88.6 | Confident | 89 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 126.1 | 176.8 | -176.6 | 172.9 | 159.3 | 0 | 0 | 109.1 | K191 Q215 | K191-E218 WeakPolarHBondContact CE-OE1 3.47Å; K191-E218 IonicContact NZ-OE1 2.67Å; K191-E218 PolarHBondContact NZ-OE1 3.44Å; Q215-E218 PolarHBondContact NE2-OE2 3.09Å |
| 219 | D | 85.8 | Confident | 89.1 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 17% | 0.171 | 28% | 0.275 | C | S | . | . | trans | -97.9 | -165.1 | 169.9 | 73.7 | 27.4 | 0 | 0 | 0 | 110.4 | L161 K191 F217 D221 S222 | L161-D219 HydrophobicContact CD1-CB 4.01Å; L161-D219 WeakPolarHBondContact CD1-OD2 3.32Å; L161-D219 HydrophobicContact CG-CB 4.18Å; L161-D219 WeakPolarHBondContact CG-OD2 3.45Å; L161-D219 PolarHBondContact N-OD2 3.45Å; K191-D219 WeakPolarHBondContact CE-O 3.35Å; K191-D219 PolarHBondContact NZ-O 3.2Å; F217-D219 HydrophobicContact CE1-CB 4.22Å; D219-D221 PolarHBondContact OD1-N 2.98Å; D219-S222 PolarHBondContact N-O 3.08Å; D219-S222 WeakPolarHBondContact OD1-CA 3.35Å; D219-S222 PolarHBondContact OD1-N 3.35Å | ||
| 220 | N | 84.3 | Confident | 89.2 | Confident | 147 Ų | 147 | 57 Ų | 57 | 79% | 0.786 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -70.8 | -29.1 | -178.5 | -72.4 | -21.7 | 0 | 0 | 0 | 113.3 | K191 | K191-N220 VanDerWaalsContact CE-O 3.28Å; K191-N220 WeakPolarHBondContact CE-O 3.19Å; K191-N220 PolarHBondContact NZ-O 2.94Å |
| 221 | D | 85.4 | Confident | 89.2 | Confident | 129 Ų | 129 | 59.8 Ų | 59.8 | 69% | 0.69 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -119.8 | -23.1 | -169.4 | -69.4 | -31.9 | 0 | 0 | 0 | 113.6 | K191 D219 | K191-D221 PolarHBondContact N-O 3.45Å; D219-D221 PolarHBondContact OD1-N 2.98Å |
| 222 | S | 90.2 | Very high | 89.3 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158.6 | -169.4 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | L161 V189 Y194 D219 | L161-S222 WeakPolarHBondContact CD1-O 3.43Å; V189-S222 CarbonylContact O-C 3.56Å; V189-S222 WeakPolarHBondContact O-CA 3.36Å; V189-S222 WeakPolarHBondContact O-CB 3.12Å; Y194-S222 VanDerWaalsContact OH-C 3.24Å; Y194-S222 PolarHBondContact OH-O 3.41Å; D219-S222 PolarHBondContact N-O 3.08Å; D219-S222 WeakPolarHBondContact OD1-CA 3.35Å; D219-S222 PolarHBondContact OD1-N 3.35Å |
| 223 | G | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V188 V189 Y194 F217 | V188-G223 WeakPolarHBondContact CA-O 3.29Å; V189-G223 PolarHBondContact N-O 3.4Å; V189-G223 PolarHBondContact O-N 2.99Å; Y194-G223 WeakPolarHBondContact OH-CA 3.22Å; Y194-G223 PolarHBondContact OH-N 3.2Å; F217-G223 WeakPolarHBondContact O-CA 3.34Å |
| 224 | L | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.3 | 172.9 | -171.1 | 71.2 | 0 | 0 | 0 | 108.9 | L161 L166 I169 V170 L186 V188 L216 F217 | L161-L224 HydrophobicContact CD1-CB 4.14Å; L161-L224 HydrophobicContact CD2-CB 4.17Å; L166-L224 HydrophobicContact CD1-CD1 4.31Å; L166-L224 HydrophobicContact CD1-CD2 4.44Å; L166-L224 HydrophobicContact CD2-CD1 4.44Å; L166-L224 HydrophobicContact CD2-CD2 3.95Å; I169-L224 HydrophobicContact CG2-CD2 3.79Å; V170-L224 HydrophobicContact CG1-CD2 4.24Å; L186-L224 HydrophobicContact CB-CD1 4.06Å; V188-L224 HydrophobicContact CG2-CD1 3.89Å; L216-L224 HydrophobicContact CB-CD2 4.3Å; L216-L224 HydrophobicContact CD1-CD2 4.34Å; L216-L224 PolarHBondContact N-O 2.96Å; F217-L224 HydrophobicContact CB-CB 4.43Å; F217-L224 PolarHBondContact O-N 2.85Å |
| 225 | F | 91.5 | Very high | 89.4 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.022 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.9 | 176.3 | -65.6 | -92.9 | 0 | 0 | 0 | 110.1 | L186 V187 V189 Y194 W197 K214 Q215 | L186-F225 CarbonylContact C-O 3.58Å; L186-F225 WeakPolarHBondContact CA-O 3.34Å; V187-F225 PolarHBondContact N-O 2.76Å; V187-F225 PolarHBondContact O-N 3.05Å; V189-F225 HydrophobicContact CB-CD2 3.96Å; V189-F225 HydrophobicContact CB-CE2 3.97Å; V189-F225 HydrophobicContact CG2-CD2 3.74Å; V189-F225 HydrophobicContact CG2-CE2 4.23Å; Y194-F225 AromaticContact CD1-CE2 3.92Å; Y194-F225 HydrophobicContact CD1-CE2 3.92Å; Y194-F225 HydrophobicContact CD1-CZ 4.12Å; Y194-F225 HydrophobicContact CD2-CZ 4.26Å; Y194-F225 AromaticContact CE1-CE2 3.69Å; Y194-F225 HydrophobicContact CE1-CE2 3.69Å; Y194-F225 HydrophobicContact CE1-CZ 4.11Å; Y194-F225 HydrophobicContact CE2-CZ 4.27Å; Y194-F225 HydrophobicContact CG-CE2 4.46Å; Y194-F225 HydrophobicContact CG-CZ 4.2Å; W197-F225 HydrophobicContact CZ2-CB 4.37Å; W197-F225 AromaticContact NE1-CD1 3.92Å; W197-F225 AromaticContact NE1-CG 3.68Å; K214-F225 CarbonylContact O-C 3.35Å; K214-F225 VanDerWaalsContact O-CA 3.29Å; K214-F225 WeakPolarHBondContact O-CA 3.34Å; Q215-F225 HydrophobicContact CB-CD1 3.91Å; Q215-F225 HydrophobicContact CB-CE1 3.58Å; Q215-F225 HydrophobicContact CB-CZ 4.27Å; Q215-F225 HydrophobicContact CG-CD1 4.35Å; Q215-F225 HydrophobicContact CG-CE1 3.83Å; Q215-F225 HydrophobicContact CG-CZ 4Å |
| 226 | S | 92.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 4% | 0.035 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 151 | 163.5 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | M185 T213 K214 | M185-S226 WeakPolarHBondContact O-CA 3.46Å; T213-S226 WeakPolarHBondContact CA-O 3.35Å; T213-S226 PolarHBondContact OG1-O 3.06Å; K214-S226 PolarHBondContact N-O 2.93Å; K214-S226 PolarHBondContact O-N 3.3Å; K214-S226 PolarHBondContact O-OG 2.69Å |
| 227 | V | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 135.6 | 169.4 | 176.5 | 0 | 0 | 0 | 0 | 109 | T184 M185 W197 Y201 V208 L229 F237 | T184-V227 CarbonylContact C-O 3.56Å; T184-V227 WeakPolarHBondContact CA-O 3.23Å; M185-V227 PolarHBondContact N-O 3.3Å; M185-V227 PolarHBondContact O-N 3.4Å; W197-V227 HydrophobicContact CH2-CG2 3.97Å; W197-V227 HydrophobicContact CZ2-CG2 3.39Å; Y201-V227 HydrophobicContact CD2-CG1 4.33Å; Y201-V227 HydrophobicContact CD2-CG2 4.19Å; V208-V227 HydrophobicContact CG1-CG1 3.96Å; V227-L229 HydrophobicContact CG1-CD2 4.14Å; V227-F237 HydrophobicContact CB-CZ 4.44Å; V227-F237 HydrophobicContact CG1-CE2 4.47Å; V227-F237 HydrophobicContact CG1-CZ 4.16Å; V227-F237 HydrophobicContact CG2-CZ 4.48Å |
| 228 | T | 90.8 | Very high | 89.5 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.8 | 173.8 | -50.7 | 0 | 0 | 0 | 0 | 110.1 | V176 L182 V183 T184 V209 S212 | V176-T228 HydrophobicContact CG2-CG2 3.92Å; L182-T228 HydrophobicContact CB-CG2 4.18Å; L182-T228 HydrophobicContact CD1-CG2 4.45Å; V183-T228 WeakPolarHBondContact O-CA 3.34Å; T184-T228 PolarHBondContact OG1-OG1 2.9Å; V209-T228 WeakPolarHBondContact CB-O 3.33Å; V209-T228 HydrophobicContact CG2-CG2 4.19Å; V209-T228 PolarHBondContact N-O 3.38Å; S212-T228 PolarHBondContact OG-N 3.05Å; S212-T228 PolarHBondContact OG-O 3.28Å |
| 229 | L | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 168.6 | 177.4 | 57.8 | 141.5 | 0 | 0 | 0 | 110.8 | L182 V183 M185 M207 V208 V227 A233 V234 F237 | L182-L229 WeakPolarHBondContact CA-O 3.39Å; V183-L229 HydrophobicContact CG1-CG 4.38Å; V183-L229 PolarHBondContact N-O 2.93Å; V183-L229 PolarHBondContact O-N 3.29Å; V183-L229 VanDerWaalsContact O-O 3.09Å; M185-L229 HydrophobicContact CB-CD2 4.12Å; M185-L229 HydrophobicContact CG-CD2 3.81Å; M207-L229 WeakPolarHBondContact O-CA 3.34Å; V208-L229 HydrophobicContact CG2-CB 4.28Å; V227-L229 HydrophobicContact CG1-CD2 4.14Å; L229-A233 HydrophobicContact CD1-CB 4.38Å; L229-V234 HydrophobicContact CD1-CB 4.39Å; L229-V234 HydrophobicContact CD1-CG2 3.87Å; L229-F237 HydrophobicContact CD1-CB 3.9Å; L229-F237 HydrophobicContact CD1-CD1 4.49Å; L229-F237 HydrophobicContact CD1-CG 4.17Å; L229-F237 HydrophobicContact CD2-CD1 4.31Å; L229-F237 HydrophobicContact CD2-CE1 4.45Å |
| 230 | F | 90.1 | Very high | 89.8 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 37% | 0.373 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142 | 174 | -77 | -109.3 | 0 | 0 | 0 | 111.1 | Y181 L182 M207 K232 A233 | Y181-F230 CarbonylContact O-C 3.18Å; Y181-F230 VanDerWaalsContact O-CA 3.26Å; Y181-F230 WeakPolarHBondContact O-CA 3.49Å; L182-F230 HydrophobicContact CD2-CD1 4.27Å; L182-F230 HydrophobicContact CD2-CD2 3.67Å; L182-F230 HydrophobicContact CD2-CE1 4.26Å; L182-F230 HydrophobicContact CD2-CE2 3.65Å; L182-F230 HydrophobicContact CD2-CG 4Å; L182-F230 HydrophobicContact CD2-CZ 3.96Å; M207-F230 HydrophobicContact CB-CB 3.73Å; M207-F230 HydrophobicContact CB-CD2 3.82Å; M207-F230 HydrophobicContact CB-CG 3.97Å; M207-F230 WeakPolarHBondContact O-CD2 3.44Å; M207-F230 PolarHBondContact O-N 3.41Å; M207-F230 HydrophobicContact SD-CB 4.13Å; M207-F230 HydrophobicContact SD-CG 4.4Å; F230-K232 PolarHBondContact O-N 2.91Å; F230-K232 VanDerWaalsContact O-N 3.09Å; F230-A233 PolarHBondContact O-N 3.15Å |
| 231 | R | 86.9 | Confident | 90.1 | Very high | 140 Ų | 140 | 50.6 Ų | 50.6 | 53% | 0.528 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -52.8 | -35 | 179.2 | -73.6 | -176.9 | -175.1 | -99.2 | 2.4 | 113.3 | S179 E180 Y181 V183 A233 V234 | S179-R231 PolarHBondContact O-NE 3.04Å; S179-R231 PolarHBondContact O-NH2 2.86Å; E180-R231 WeakPolarHBondContact O-CD 3.47Å; Y181-R231 PolarHBondContact O-N 3.01Å; V183-R231 HydrophobicContact CB-CG 3.97Å; V183-R231 HydrophobicContact CG1-CG 4.01Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 2.81Å; R231-V234 VanDerWaalsContact O-CG2 3.31Å; R231-V234 WeakPolarHBondContact O-CG2 3.29Å; R231-V234 PolarHBondContact O-N 2.87Å |
| 232 | K | 89.2 | Confident | 90.2 | Very high | 187 Ų | 187 | 51.8 Ų | 51.8 | 81% | 0.813 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -66.7 | -22.5 | 178.6 | -68.9 | -176 | 178.6 | -179.4 | 0 | 114 | M207 F230 | M207-K232 HydrophobicContact CE-CB 3.55Å; M207-K232 HydrophobicContact SD-CB 4.49Å; F230-K232 PolarHBondContact O-N 2.91Å; F230-K232 VanDerWaalsContact O-N 3.09Å |
| 233 | A | 89 | Confident | 90.2 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -99.8 | 4.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A205 M207 L229 F230 R231 D235 F237 | A205-A233 HydrophobicContact CB-CB 4.38Å; M207-A233 HydrophobicContact CB-CB 3.91Å; M207-A233 HydrophobicContact CE-CB 3.71Å; L229-A233 HydrophobicContact CD1-CB 4.38Å; F230-A233 PolarHBondContact O-N 3.15Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 2.81Å; A233-D235 PolarHBondContact O-N 3.3Å; A233-F237 VanDerWaalsContact O-CB 3.23Å; A233-F237 WeakPolarHBondContact O-CB 3.47Å; A233-F237 PolarHBondContact O-N 3.23Å |
| 234 | V | 88.1 | Confident | 90 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | -175.2 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | V183 M185 L229 R231 R238 | V183-V234 HydrophobicContact CG1-CG2 3.46Å; V183-V234 VanDerWaalsContact CG1-CG2 3.46Å; M185-V234 HydrophobicContact CE-CG1 4.37Å; M185-V234 HydrophobicContact SD-CG1 4.43Å; L229-V234 HydrophobicContact CD1-CB 4.39Å; L229-V234 HydrophobicContact CD1-CG2 3.87Å; R231-V234 VanDerWaalsContact O-CG2 3.31Å; R231-V234 WeakPolarHBondContact O-CG2 3.29Å; R231-V234 PolarHBondContact O-N 2.87Å; V234-R238 VanDerWaalsContact O-CB 3.27Å; V234-R238 WeakPolarHBondContact O-CB 3.38Å; V234-R238 PolarHBondContact O-N 3.47Å |
| 235 | D | 89.9 | Confident | 89.9 | Confident | 130 Ų | 130 | 67.8 Ų | 67.8 | 70% | 0.695 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.8 | -41.7 | -177 | -65.4 | -39.6 | 0 | 0 | 0 | 112.2 | A233 R238 H239 | A233-D235 PolarHBondContact O-N 3.3Å; D235-R238 PolarHBondContact O-N 3.48Å; D235-H239 PolarHBondContact O-N 3.48Å |
| 236 | D | 91.1 | Very high | 89.9 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 175.8 | -175.1 | 45.9 | 0 | 0 | 0 | 111.2 | R238 H239 K240 | D236-R238 VanDerWaalsContact C-N 3.32Å; D236-R238 PolarHBondContact O-N 2.95Å; D236-H239 PolarHBondContact O-N 3.22Å; D236-K240 PolarHBondContact O-N 3.04Å; D236-K240 WeakPolarHBondContact OD1-CE 3.37Å; D236-K240 IonicContact OD1-NZ 2.96Å; D236-K240 PolarHBondContact OD1-NZ 2.91Å; D236-K240 IonicContact OD2-NZ 2.82Å; D236-K240 PolarHBondContact OD2-NZ 3.39Å |
| 237 | F | 90.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 174.9 | -175.4 | -96.5 | 0 | 0 | 0 | 111.6 | V187 W197 L204 A205 V208 V227 L229 A233 H239 A241 V248 | V187-F237 HydrophobicContact CG2-CE1 4.02Å; V187-F237 HydrophobicContact CG2-CZ 4.47Å; W197-F237 AromaticContact CH2-CZ 3.85Å; W197-F237 HydrophobicContact CH2-CZ 3.85Å; W197-F237 HydrophobicContact CZ3-CZ 4.47Å; L204-F237 HydrophobicContact CB-CD2 3.96Å; L204-F237 HydrophobicContact CB-CE2 3.96Å; L204-F237 HydrophobicContact CD1-CD2 4.42Å; L204-F237 HydrophobicContact CD1-CE2 3.76Å; L204-F237 HydrophobicContact CD1-CZ 4.22Å; A205-F237 HydrophobicContact CB-CB 4.16Å; A205-F237 HydrophobicContact CB-CD2 4.28Å; V208-F237 HydrophobicContact CG2-CD2 3.83Å; V208-F237 HydrophobicContact CG2-CE2 4.05Å; V227-F237 HydrophobicContact CB-CZ 4.44Å; V227-F237 HydrophobicContact CG1-CE2 4.47Å; V227-F237 HydrophobicContact CG1-CZ 4.16Å; V227-F237 HydrophobicContact CG2-CZ 4.48Å; L229-F237 HydrophobicContact CD1-CB 3.9Å; L229-F237 HydrophobicContact CD1-CD1 4.49Å; L229-F237 HydrophobicContact CD1-CG 4.17Å; L229-F237 HydrophobicContact CD2-CD1 4.31Å; L229-F237 HydrophobicContact CD2-CE1 4.45Å; A233-F237 VanDerWaalsContact O-CB 3.23Å; A233-F237 WeakPolarHBondContact O-CB 3.47Å; A233-F237 PolarHBondContact O-N 3.23Å; F237-H239 VanDerWaalsContact C-N 3.33Å; F237-H239 PolarHBondContact O-N 2.93Å; F237-A241 WeakPolarHBondContact O-CB 3.43Å; F237-A241 PolarHBondContact O-N 2.66Å; F237-V248 HydrophobicContact CD1-CG2 4.37Å; F237-V248 HydrophobicContact CE1-CG2 4.25Å |
| 238 | R | 89.8 | Confident | 89.7 | Confident | 61 Ų | 61 | 71 Ų | 71 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -38.3 | 178.7 | -170 | 173.5 | -163.6 | 172.8 | 6.7 | 112.3 | V234 D235 D236 R242 V248 D250 | V234-R238 VanDerWaalsContact O-CB 3.27Å; V234-R238 WeakPolarHBondContact O-CB 3.38Å; V234-R238 PolarHBondContact O-N 3.47Å; D235-R238 PolarHBondContact O-N 3.48Å; D236-R238 VanDerWaalsContact C-N 3.32Å; D236-R238 PolarHBondContact O-N 2.95Å; R238-R242 WeakPolarHBondContact O-CG 3.5Å; R238-R242 PolarHBondContact O-N 3.48Å; R238-V248 HydrophobicContact CG-CB 4.35Å; R238-V248 HydrophobicContact CG-CG2 4.46Å; R238-D250 IonicContact CZ-OD1 2.73Å; R238-D250 IonicContact CZ-OD2 3.91Å; R238-D250 IonicContact NE-OD1 2.91Å; R238-D250 VanDerWaalsContact NH1-CG 3.3Å; R238-D250 IonicContact NH1-OD1 2.83Å; R238-D250 PolarHBondContact NH1-OD1 3.39Å; R238-D250 IonicContact NH1-OD2 2.66Å; R238-D250 PolarHBondContact NH1-OD2 3.1Å; R238-D250 IonicContact NH2-OD1 3Å; R238-D250 PolarHBondContact NH2-OD1 2.74Å; R238-D250 IonicContact NH2-OD2 3.31Å; R238-D250 PolarHBondContact NH2-OD2 2.81Å |
| 239 | H | 90.9 | Very high | 89.6 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 53% | 0.532 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.9 | -53.4 | 177.5 | -166.7 | 68.9 | 0 | 0 | 0 | 111.1 | D235 D236 F237 A241 R242 E243 | D235-H239 PolarHBondContact O-N 3.48Å; D236-H239 PolarHBondContact O-N 3.22Å; F237-H239 VanDerWaalsContact C-N 3.33Å; F237-H239 PolarHBondContact O-N 2.93Å; H239-A241 VanDerWaalsContact C-N 3.34Å; H239-A241 PolarHBondContact O-N 3.39Å; H239-R242 WeakPolarHBondContact O-CB 3.26Å; H239-R242 PolarHBondContact O-N 3.01Å; H239-R242 VanDerWaalsContact O-N 3.1Å; H239-E243 IonicContact CD2-OE1 2.66Å; H239-E243 IonicContact NE2-OE1 2.86Å; H239-E243 PolarHBondContact O-N 3.46Å |
| 240 | K | 90.4 | Very high | 89.1 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.1 | -30.4 | -178.6 | -67 | 174.4 | 179.1 | 162.4 | 0 | 113.5 | L204 D236 R242 E243 N244 | L204-K240 HydrophobicContact CD2-CB 4.07Å; L204-K240 WeakPolarHBondContact O-CD 3.17Å; L204-K240 WeakPolarHBondContact O-CE 3.4Å; L204-K240 PolarHBondContact O-NZ 3.04Å; D236-K240 PolarHBondContact O-N 3.04Å; D236-K240 WeakPolarHBondContact OD1-CE 3.37Å; D236-K240 IonicContact OD1-NZ 2.96Å; D236-K240 PolarHBondContact OD1-NZ 2.91Å; D236-K240 IonicContact OD2-NZ 2.82Å; D236-K240 PolarHBondContact OD2-NZ 3.39Å; K240-R242 VanDerWaalsContact C-N 3.34Å; K240-E243 PolarHBondContact O-N 3.35Å; K240-N244 PolarHBondContact O-N 3.26Å; K240-N244 PolarHBondContact O-ND2 3.16Å |
| 241 | A | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F237 H239 N244 K245 F246 V248 | F237-A241 WeakPolarHBondContact O-CB 3.43Å; F237-A241 PolarHBondContact O-N 2.66Å; H239-A241 VanDerWaalsContact C-N 3.34Å; H239-A241 PolarHBondContact O-N 3.39Å; A241-N244 CarbonylContact O-C 3.36Å; A241-N244 PolarHBondContact O-N 2.99Å; A241-K245 PolarHBondContact O-N 2.93Å; A241-F246 CarbonylContact C-O 3.47Å; A241-F246 VanDerWaalsContact C-O 3.27Å; A241-F246 HydrophobicContact CB-CB 4.18Å; A241-F246 WeakPolarHBondContact O-CA 3.44Å; A241-F246 WeakPolarHBondContact O-CB 3.43Å; A241-F246 PolarHBondContact O-N 3.29Å; A241-F246 VanDerWaalsContact O-O 3.09Å; A241-V248 HydrophobicContact CB-CG2 3.6Å |
| 242 | R | 88.6 | Confident | 88.4 | Confident | 153 Ų | 153 | 77.1 Ų | 77.1 | 58% | 0.577 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.2 | -40 | 177.1 | -75 | 174.7 | 176.9 | -179.3 | 1.5 | 112.6 | R238 H239 K240 N244 K245 | R238-R242 WeakPolarHBondContact O-CG 3.5Å; R238-R242 PolarHBondContact O-N 3.48Å; H239-R242 WeakPolarHBondContact O-CB 3.26Å; H239-R242 PolarHBondContact O-N 3.01Å; H239-R242 VanDerWaalsContact O-N 3.1Å; K240-R242 VanDerWaalsContact C-N 3.34Å; R242-N244 PolarHBondContact O-N 3.34Å; R242-K245 PolarHBondContact O-N 2.93Å |
| 243 | E | 90.3 | Very high | 88.1 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 59% | 0.593 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.7 | -38.4 | 175.2 | -68.9 | -179.3 | 154.2 | 0 | 0 | 112.1 | H239 K240 K245 | H239-E243 IonicContact CD2-OE1 2.66Å; H239-E243 IonicContact NE2-OE1 2.86Å; H239-E243 PolarHBondContact O-N 3.46Å; K240-E243 PolarHBondContact O-N 3.35Å; E243-K245 PolarHBondContact O-N 3.03Å |
| 244 | N | 86.5 | Confident | 87.8 | Confident | 68 Ų | 68 | 72.4 Ų | 72.4 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 13.6 | 176.9 | -68.9 | -65.8 | 0 | 0 | 0 | 114 | L204 K240 A241 R242 F246 | L204-N244 VanDerWaalsContact CD2-ND2 3.33Å; L204-N244 WeakPolarHBondContact CD2-ND2 3.29Å; K240-N244 PolarHBondContact O-N 3.26Å; K240-N244 PolarHBondContact O-ND2 3.16Å; A241-N244 CarbonylContact O-C 3.36Å; A241-N244 PolarHBondContact O-N 2.99Å; R242-N244 PolarHBondContact O-N 3.34Å; N244-F246 HydrophobicContact CB-CD2 3.59Å; N244-F246 HydrophobicContact CB-CE2 3.44Å; N244-F246 VanDerWaalsContact CB-CE2 3.44Å; N244-F246 HydrophobicContact CB-CG 4.45Å; N244-F246 HydrophobicContact CB-CZ 4.19Å; N244-F246 PolarHBondContact O-N 3.12Å |
| 245 | K | 88.6 | Confident | 87.5 | Confident | 161 Ų | 161 | 75.8 Ų | 75.8 | 70% | 0.7 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 21.2 | -179.5 | -51.6 | 177.1 | 179.8 | 176.3 | 0 | 114.6 | A241 R242 E243 | A241-K245 PolarHBondContact O-N 2.93Å; R242-K245 PolarHBondContact O-N 2.93Å; E243-K245 PolarHBondContact O-N 3.03Å |
| 246 | F | 91.1 | Very high | 87.3 | Confident | 5 Ų | 5 | 77.1 Ų | 77.1 | 2% | 0.022 | 36% | 0.357 | C | S | . | . | trans | -91 | 132.6 | 171 | -50.2 | -48.5 | 0 | 0 | 0 | 109.9 | V187 V189 N193 W197 A241 N244 | V187-F246 HydrophobicContact CG1-CB 3.8Å; V189-F246 HydrophobicContact CB-CD1 4.35Å; V189-F246 HydrophobicContact CG1-CD1 3.86Å; V189-F246 HydrophobicContact CG1-CE1 3.76Å; V189-F246 HydrophobicContact CG2-CD1 4.04Å; N193-F246 HydrophobicContact CB-CE1 3.95Å; W197-F246 HydrophobicContact CB-CE1 4.24Å; W197-F246 HydrophobicContact CB-CZ 4.15Å; W197-F246 HydrophobicContact CE3-CB 4.5Å; W197-F246 HydrophobicContact CE3-CD1 4.11Å; W197-F246 AromaticContact CE3-CD2 3.5Å; W197-F246 HydrophobicContact CE3-CD2 3.5Å; W197-F246 HydrophobicContact CE3-CE1 4.17Å; W197-F246 AromaticContact CE3-CE2 3.58Å; W197-F246 HydrophobicContact CE3-CE2 3.58Å; W197-F246 AromaticContact CE3-CG 3.78Å; W197-F246 HydrophobicContact CE3-CG 3.78Å; W197-F246 AromaticContact CE3-CZ 3.92Å; W197-F246 HydrophobicContact CE3-CZ 3.92Å; W197-F246 HydrophobicContact CZ3-CB 4.21Å; W197-F246 AromaticContact CZ3-CD2 3.6Å; W197-F246 HydrophobicContact CZ3-CD2 3.6Å; W197-F246 HydrophobicContact CZ3-CE2 4.09Å; W197-F246 AromaticContact CZ3-CG 3.92Å; W197-F246 HydrophobicContact CZ3-CG 3.92Å; A241-F246 CarbonylContact C-O 3.47Å; A241-F246 VanDerWaalsContact C-O 3.27Å; A241-F246 HydrophobicContact CB-CB 4.18Å; A241-F246 WeakPolarHBondContact O-CA 3.44Å; A241-F246 WeakPolarHBondContact O-CB 3.43Å; A241-F246 PolarHBondContact O-N 3.29Å; A241-F246 VanDerWaalsContact O-O 3.09Å; N244-F246 HydrophobicContact CB-CD2 3.59Å; N244-F246 HydrophobicContact CB-CE2 3.44Å; N244-F246 VanDerWaalsContact CB-CE2 3.44Å; N244-F246 HydrophobicContact CB-CG 4.45Å; N244-F246 HydrophobicContact CB-CZ 4.19Å; N244-F246 PolarHBondContact O-N 3.12Å | ||
| 247 | T | 89.7 | Confident | 86.9 | Confident | 65 Ų | 65 | 79.3 Ų | 79.3 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 111 | -179 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | L162 V188 | L162-T247 HydrophobicContact CD2-CG2 3.78Å; V188-T247 PolarHBondContact N-O 3Å; V188-T247 PolarHBondContact O-N 3.01Å |
| 248 | V | 90.7 | Very high | 86.5 | Confident | 8 Ų | 8 | 80.9 Ų | 80.9 | 5% | 0.048 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.8 | 174 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | M185 V187 F237 R238 A241 | M185-V248 HydrophobicContact CB-CG1 4.29Å; M185-V248 HydrophobicContact CE-CG1 3.47Å; M185-V248 VanDerWaalsContact CE-CG1 3.47Å; V187-V248 HydrophobicContact CG1-CG2 4.49Å; V187-V248 HydrophobicContact CG2-CG2 4.14Å; F237-V248 HydrophobicContact CD1-CG2 4.37Å; F237-V248 HydrophobicContact CE1-CG2 4.25Å; R238-V248 HydrophobicContact CG-CB 4.35Å; R238-V248 HydrophobicContact CG-CG2 4.46Å; A241-V248 HydrophobicContact CB-CG2 3.6Å |
| 249 | R | 88.8 | Confident | 86.3 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 24% | 0.242 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.8 | 175.2 | -71.1 | -76.8 | -76.1 | 159.8 | 1.3 | 109.1 | L162 R164 L166 L186 V188 F251 | L162-R249 WeakPolarHBondContact O-CD 3.34Å; L162-R249 PolarHBondContact O-NE 3.36Å; L162-R249 PolarHBondContact O-NH1 2.84Å; R164-R249 PolarHBondContact O-NH2 3.08Å; L166-R249 HydrophobicContact CD1-CB 4.09Å; L166-R249 HydrophobicContact CD1-CG 4.3Å; L186-R249 HydrophobicContact CB-CB 4.28Å; L186-R249 PolarHBondContact O-N 3Å; V188-R249 HydrophobicContact CG2-CG 3.72Å; R249-F251 PolarHBondContact O-N 2.98Å; R249-F251 VanDerWaalsContact O-N 3.14Å |
| 250 | D | 81.2 | Confident | 86.1 | Confident | 101 Ų | 101 | 81.2 Ų | 81.2 | 54% | 0.54 | 38% | 0.383 | S | S | . | . | trans | -73.9 | 105.6 | 170.4 | -62.9 | -23.2 | 0 | 0 | 0 | 107.5 | R238 | R238-D250 IonicContact CZ-OD1 2.73Å; R238-D250 IonicContact CZ-OD2 3.91Å; R238-D250 IonicContact NE-OD1 2.91Å; R238-D250 VanDerWaalsContact NH1-CG 3.3Å; R238-D250 IonicContact NH1-OD1 2.83Å; R238-D250 PolarHBondContact NH1-OD1 3.39Å; R238-D250 IonicContact NH1-OD2 2.66Å; R238-D250 PolarHBondContact NH1-OD2 3.1Å; R238-D250 IonicContact NH2-OD1 3Å; R238-D250 PolarHBondContact NH2-OD1 2.74Å; R238-D250 IonicContact NH2-OD2 3.31Å; R238-D250 PolarHBondContact NH2-OD2 2.81Å | ||
| 251 | F | 83.3 | Confident | 85.8 | Confident | 37 Ų | 37 | 81.9 Ų | 81.9 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | trans | -140.4 | 120 | 178.2 | -175.8 | -91.8 | 0 | 0 | 0 | 108.7 | L166 V170 F175 L186 R249 Y253 M258 | L166-F251 HydrophobicContact CB-CD2 4.08Å; L166-F251 HydrophobicContact CB-CE2 4.08Å; L166-F251 HydrophobicContact CD1-CB 4.36Å; L166-F251 HydrophobicContact CD1-CD2 4.42Å; L166-F251 HydrophobicContact CD1-CG 4.44Å; V170-F251 HydrophobicContact CG2-CE1 3.65Å; V170-F251 HydrophobicContact CG2-CZ 3.86Å; F175-F251 AromaticContact CE1-CD1 4Å; F175-F251 HydrophobicContact CE1-CD1 4Å; F175-F251 HydrophobicContact CE1-CE1 4.43Å; F175-F251 HydrophobicContact CE2-CE1 4.36Å; F175-F251 AromaticContact CZ-CD1 3.69Å; F175-F251 HydrophobicContact CZ-CD1 3.69Å; F175-F251 AromaticContact CZ-CE1 3.78Å; F175-F251 HydrophobicContact CZ-CE1 3.78Å; L186-F251 HydrophobicContact CD1-CB 3.83Å; L186-F251 HydrophobicContact CD1-CD1 3.87Å; L186-F251 HydrophobicContact CD1-CG 3.96Å; R249-F251 PolarHBondContact O-N 2.98Å; R249-F251 VanDerWaalsContact O-N 3.14Å; F251-Y253 HydrophobicContact CE1-CD2 4.28Å; F251-M258 HydrophobicContact CE2-SD 3.93Å; F251-M258 HydrophobicContact CZ-SD 3.7Å | ||
| 252 | Q | 79.9 | Confident | 85.6 | Confident | 168 Ų | 168 | 88.2 Ų | 88.2 | 79% | 0.785 | 42% | 0.418 | S | S | * | . | trans | -102.1 | 121.8 | 171.8 | -172.8 | 167.4 | 5.9 | 0 | 0 | 107.8 | N254 | Q252-N254 PolarHBondContact O-N 2.87Å; Q252-N254 VanDerWaalsContact O-N 3.14Å | ||
| 253 | Y | 81.4 | Confident | 85.7 | Confident | 43 Ų | 43 | 86.2 Ų | 86.2 | 17% | 0.169 | 42% | 0.415 | C | S | . | . | trans | -68.3 | 114 | 177.5 | -174.3 | -89.6 | 0 | 0 | 0 | 109.6 | V170 K172 F175 L177 F251 E255 | V170-Y253 HydrophobicContact CG2-CD2 4.13Å; V170-Y253 HydrophobicContact CG2-CE2 4.36Å; K172-Y253 HydrophobicContact CB-CE1 4.27Å; K172-Y253 WeakPolarHBondContact CB-OH 3.3Å; K172-Y253 HydrophobicContact CG-CE1 4.15Å; K172-Y253 PolarHBondContact N-OH 3.36Å; F175-Y253 AromaticContact CD2-CD2 3.49Å; F175-Y253 HydrophobicContact CD2-CD2 3.49Å; F175-Y253 VanDerWaalsContact CD2-CD2 3.49Å; F175-Y253 HydrophobicContact CD2-CE2 4.27Å; F175-Y253 AromaticContact CD2-CG 3.74Å; F175-Y253 HydrophobicContact CD2-CG 3.74Å; F175-Y253 AromaticContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CE2 4.21Å; F175-Y253 AromaticContact CE2-CG 3.98Å; F175-Y253 HydrophobicContact CE2-CG 3.98Å; F175-Y253 HydrophobicContact CG-CD2 4.4Å; F175-Y253 HydrophobicContact CG-CG 4.24Å; F175-Y253 HydrophobicContact CZ-CD2 4.22Å; L177-Y253 HydrophobicContact CD1-CD1 4.26Å; L177-Y253 HydrophobicContact CD1-CE1 4.38Å; L177-Y253 HydrophobicContact CD2-CD1 3.81Å; L177-Y253 HydrophobicContact CD2-CG 4.36Å; F251-Y253 HydrophobicContact CE1-CD2 4.28Å; Y253-E255 HydrophobicContact CE1-CB 4.02Å | ||
| 254 | N | 83.1 | Confident | 85.6 | Confident | 50 Ų | 50 | 83.4 Ų | 83.4 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | trans | -128.5 | 105.8 | 172.7 | -175.5 | -16 | 0 | 0 | 0 | 109.1 | Q252 E256 E257 M258 | Q252-N254 PolarHBondContact O-N 2.87Å; Q252-N254 VanDerWaalsContact O-N 3.14Å; N254-E256 PolarHBondContact O-N 3.01Å; N254-E256 PolarHBondContact OD1-N 2.76Å; N254-E257 HydrophobicContact CB-CB 4.1Å; N254-E257 HydrophobicContact CB-CG 4.29Å; N254-E257 WeakPolarHBondContact ND2-CG 3.47Å; N254-E257 PolarHBondContact ND2-OE1 3.31Å; N254-E257 VanDerWaalsContact ND2-OE1 3.11Å; N254-E257 PolarHBondContact O-N 2.76Å; N254-E257 PolarHBondContact OD1-N 2.78Å; N254-M258 WeakPolarHBondContact O-CG 3.46Å; N254-M258 PolarHBondContact O-N 2.82Å; N254-M258 VanDerWaalsContact O-N 3.14Å | ||
| 255 | E | 82.3 | Confident | 85.6 | Confident | 101 Ų | 101 | 81.8 Ų | 81.8 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -33.3 | -176.9 | -166.4 | 170.3 | 175.2 | 0 | 0 | 112.2 | K172 Y253 K259 | K172-E255 IonicContact NZ-OE2 3.87Å; K172-E255 PolarHBondContact NZ-OE2 2.81Å; Y253-E255 HydrophobicContact CE1-CB 4.02Å; E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.46Å; E255-K259 PolarHBondContact O-N 2.82Å; E255-K259 VanDerWaalsContact O-N 3.12Å |
| 256 | E | 85.3 | Confident | 85.6 | Confident | 159 Ų | 159 | 78 Ų | 78 | 74% | 0.743 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -70.9 | -46.5 | -179.6 | -62.5 | -174.7 | 165.4 | 0 | 0 | 111.8 | N254 K259 A260 | N254-E256 PolarHBondContact O-N 3.01Å; N254-E256 PolarHBondContact OD1-N 2.76Å; E256-K259 PolarHBondContact O-N 2.83Å; E256-A260 VanDerWaalsContact O-CB 3.31Å; E256-A260 WeakPolarHBondContact O-CB 3.46Å; E256-A260 PolarHBondContact O-N 3.25Å |
| 257 | E | 82.9 | Confident | 85.7 | Confident | 115 Ų | 115 | 84 Ų | 84 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 178.6 | -77.1 | 173.6 | -167 | 0 | 0 | 111.8 | N254 K259 A260 D261 | N254-E257 HydrophobicContact CB-CB 4.1Å; N254-E257 HydrophobicContact CB-CG 4.29Å; N254-E257 WeakPolarHBondContact ND2-CG 3.47Å; N254-E257 PolarHBondContact ND2-OE1 3.31Å; N254-E257 VanDerWaalsContact ND2-OE1 3.11Å; N254-E257 PolarHBondContact O-N 2.76Å; N254-E257 PolarHBondContact OD1-N 2.78Å; E257-K259 VanDerWaalsContact C-N 3.3Å; E257-K259 PolarHBondContact O-N 3.16Å; E257-A260 PolarHBondContact O-N 2.79Å; E257-D261 PolarHBondContact O-N 2.82Å |
| 258 | M | 82.2 | Confident | 85.7 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 17% | 0.167 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | -180 | -58.8 | -66.8 | 86.4 | 0 | 0 | 111.7 | A167 F251 N254 K262 | A167-M258 WeakPolarHBondContact CA-SD 3.36Å; A167-M258 HydrophobicContact CB-CB 4.37Å; A167-M258 HydrophobicContact CB-CE 4.2Å; A167-M258 HydrophobicContact CB-CG 4.25Å; A167-M258 HydrophobicContact CB-SD 3.14Å; A167-M258 WeakPolarHBondContact CB-SD 3.11Å; F251-M258 HydrophobicContact CE2-SD 3.93Å; F251-M258 HydrophobicContact CZ-SD 3.7Å; N254-M258 WeakPolarHBondContact O-CG 3.46Å; N254-M258 PolarHBondContact O-N 2.82Å; N254-M258 VanDerWaalsContact O-N 3.14Å; M258-K262 WeakPolarHBondContact O-CB 3.22Å; M258-K262 PolarHBondContact O-N 3Å |
| 259 | K | 85.9 | Confident | 85.7 | Confident | 133 Ų | 133 | 83.5 Ų | 83.5 | 58% | 0.578 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.7 | -44.2 | 173.9 | -169.6 | -177 | -178.5 | -162.6 | 0 | 111.2 | E255 E256 E257 D261 K262 E263 | E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.46Å; E255-K259 PolarHBondContact O-N 2.82Å; E255-K259 VanDerWaalsContact O-N 3.12Å; E256-K259 PolarHBondContact O-N 2.83Å; E257-K259 VanDerWaalsContact C-N 3.3Å; E257-K259 PolarHBondContact O-N 3.16Å; K259-D261 PolarHBondContact O-N 2.66Å; K259-K262 PolarHBondContact O-N 2.87Å; K259-E263 WeakPolarHBondContact CE-OE1 3.25Å; K259-E263 HydrophobicContact CG-CG 4.45Å; K259-E263 IonicContact NZ-OE1 3.13Å; K259-E263 WeakPolarHBondContact O-CB 3.43Å; K259-E263 WeakPolarHBondContact O-CG 3.38Å; K259-E263 PolarHBondContact O-N 3.08Å |
| 260 | A | 87.3 | Confident | 85.8 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 41% | 0.405 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E256 E257 K262 E263 E264 | E256-A260 VanDerWaalsContact O-CB 3.31Å; E256-A260 WeakPolarHBondContact O-CB 3.46Å; E256-A260 PolarHBondContact O-N 3.25Å; E257-A260 PolarHBondContact O-N 2.79Å; A260-K262 PolarHBondContact O-N 3.13Å; A260-E263 PolarHBondContact O-N 3.36Å; A260-E264 WeakPolarHBondContact O-CB 3.28Å; A260-E264 PolarHBondContact O-N 3.1Å |
| 261 | D | 84.1 | Confident | 86.3 | Confident | 79 Ų | 79 | 80.9 Ų | 80.9 | 42% | 0.422 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 177.2 | -78.1 | -10.8 | 0 | 0 | 0 | 111.9 | E257 K259 E264 M265 | E257-D261 PolarHBondContact O-N 2.82Å; K259-D261 PolarHBondContact O-N 2.66Å; D261-E264 PolarHBondContact O-N 3.3Å; D261-M265 WeakPolarHBondContact O-CB 3.43Å; D261-M265 PolarHBondContact O-N 2.9Å |
| 262 | K | 85.1 | Confident | 86.6 | Confident | 132 Ų | 132 | 82 Ų | 82 | 57% | 0.574 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69.9 | -39.8 | 178.7 | -171 | 173.1 | -174.7 | 168.1 | 0 | 112.3 | M258 K259 A260 T266 | M258-K262 WeakPolarHBondContact O-CB 3.22Å; M258-K262 PolarHBondContact O-N 3Å; K259-K262 PolarHBondContact O-N 2.87Å; A260-K262 PolarHBondContact O-N 3.13Å; K262-T266 WeakPolarHBondContact O-CB 3.45Å; K262-T266 PolarHBondContact O-N 3.32Å; K262-T266 PolarHBondContact O-OG1 3.43Å |
| 263 | E | 89.4 | Confident | 87 | Confident | 111 Ų | 111 | 81.4 Ų | 81.4 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 172.9 | -76.6 | -179.2 | -177.1 | 0 | 0 | 110.9 | K259 A260 T266 R267 | K259-E263 WeakPolarHBondContact CE-OE1 3.25Å; K259-E263 HydrophobicContact CG-CG 4.45Å; K259-E263 IonicContact NZ-OE1 3.13Å; K259-E263 WeakPolarHBondContact O-CB 3.43Å; K259-E263 WeakPolarHBondContact O-CG 3.38Å; K259-E263 PolarHBondContact O-N 3.08Å; A260-E263 PolarHBondContact O-N 3.36Å; E263-T266 PolarHBondContact O-N 2.98Å; E263-R267 WeakPolarHBondContact O-CB 3.44Å; E263-R267 PolarHBondContact O-N 2.9Å |
| 264 | E | 88.3 | Confident | 87.5 | Confident | 68 Ų | 68 | 85.8 Ų | 85.8 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 175.5 | 172.6 | 158.1 | -130.3 | 0 | 0 | 112.1 | L153 A260 D261 T266 R267 L268 | L153-E264 HydrophobicContact CD1-CG 4.2Å; A260-E264 WeakPolarHBondContact O-CB 3.28Å; A260-E264 PolarHBondContact O-N 3.1Å; D261-E264 PolarHBondContact O-N 3.3Å; E264-T266 VanDerWaalsContact C-N 3.32Å; E264-T266 PolarHBondContact O-N 3.2Å; E264-R267 WeakPolarHBondContact O-CB 3.3Å; E264-R267 PolarHBondContact O-N 3.34Å; E264-R267 IonicContact OE1-NH2 2.79Å; E264-R267 PolarHBondContact OE1-NH2 3.44Å; E264-L268 HydrophobicContact CG-CD1 3.86Å; E264-L268 HydrophobicContact CG-CG 4.35Å; E264-L268 WeakPolarHBondContact O-CB 3.49Å; E264-L268 WeakPolarHBondContact O-CG 3.33Å; E264-L268 PolarHBondContact O-N 3.16Å |
| 265 | M | 86.6 | Confident | 87.7 | Confident | 35 Ų | 35 | 88.6 Ų | 88.6 | 17% | 0.172 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 175.1 | 179.5 | 65.7 | 85.4 | 0 | 0 | 111.5 | L153 E154 N157 D261 L268 S269 | L153-M265 HydrophobicContact CB-CE 3.39Å; L153-M265 HydrophobicContact CB-SD 4.12Å; E154-M265 HydrophobicContact CG-CE 4.17Å; E154-M265 HydrophobicContact CG-SD 4.34Å; N157-M265 WeakPolarHBondContact ND2-CE 3.23Å; D261-M265 WeakPolarHBondContact O-CB 3.43Å; D261-M265 PolarHBondContact O-N 2.9Å; M265-L268 PolarHBondContact O-N 2.89Å; M265-S269 WeakPolarHBondContact O-CB 3.3Å; M265-S269 PolarHBondContact O-N 2.79Å |
| 266 | T | 90.1 | Very high | 88.1 | Confident | 80 Ų | 80 | 87.1 Ų | 87.1 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | -179.8 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | K262 E263 E264 T270 | K262-T266 WeakPolarHBondContact O-CB 3.45Å; K262-T266 PolarHBondContact O-N 3.32Å; K262-T266 PolarHBondContact O-OG1 3.43Å; E263-T266 PolarHBondContact O-N 2.98Å; E264-T266 VanDerWaalsContact C-N 3.32Å; E264-T266 PolarHBondContact O-N 3.2Å; T266-T270 WeakPolarHBondContact O-CB 3.26Å; T266-T270 PolarHBondContact O-N 3.01Å; T266-T270 PolarHBondContact O-OG1 3.12Å |
| 267 | R | 92.5 | Very high | 88.3 | Confident | 132 Ų | 132 | 81.4 Ų | 81.4 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.2 | -53.5 | 175.1 | -178.8 | -177.3 | 69.5 | -149.2 | 0.5 | 110.7 | E263 E264 S269 T270 D271 | E263-R267 WeakPolarHBondContact O-CB 3.44Å; E263-R267 PolarHBondContact O-N 2.9Å; E264-R267 WeakPolarHBondContact O-CB 3.3Å; E264-R267 PolarHBondContact O-N 3.34Å; E264-R267 IonicContact OE1-NH2 2.79Å; E264-R267 PolarHBondContact OE1-NH2 3.44Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-S269 PolarHBondContact O-N 3.43Å; R267-T270 WeakPolarHBondContact O-CB 3.49Å; R267-T270 PolarHBondContact O-N 3.01Å; R267-T270 VanDerWaalsContact O-N 3.16Å; R267-D271 WeakPolarHBondContact O-CB 3.2Å; R267-D271 VanDerWaalsContact O-CG 3.26Å; R267-D271 PolarHBondContact O-N 3.42Å |
| 268 | L | 90.2 | Very high | 88.7 | Confident | 20 Ų | 20 | 79.4 Ų | 79.4 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 179.8 | -71.6 | 171.5 | 0 | 0 | 0 | 112.3 | L146 L150 L153 E264 M265 T270 D271 K272 | L146-L268 HydrophobicContact CG-CD2 4.47Å; L150-L268 HydrophobicContact CD1-CB 4.33Å; L153-L268 HydrophobicContact CD1-CD1 3.4Å; L153-L268 VanDerWaalsContact CD1-CD1 3.4Å; E264-L268 HydrophobicContact CG-CD1 3.86Å; E264-L268 HydrophobicContact CG-CG 4.35Å; E264-L268 WeakPolarHBondContact O-CB 3.49Å; E264-L268 WeakPolarHBondContact O-CG 3.33Å; E264-L268 PolarHBondContact O-N 3.16Å; M265-L268 PolarHBondContact O-N 2.89Å; L268-T270 VanDerWaalsContact C-N 3.35Å; L268-T270 PolarHBondContact O-N 3.31Å; L268-D271 PolarHBondContact O-N 3.44Å; L268-K272 WeakPolarHBondContact O-CB 3.39Å; L268-K272 PolarHBondContact O-N 3.08Å |
| 269 | S | 89 | Confident | 89.1 | Confident | 42 Ų | 42 | 78.1 Ų | 78.1 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 175.9 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | L150 M265 R267 K273 | L150-S269 VanDerWaalsContact CD1-CA 3.47Å; M265-S269 WeakPolarHBondContact O-CB 3.3Å; M265-S269 PolarHBondContact O-N 2.79Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-S269 PolarHBondContact O-N 3.43Å; S269-K273 WeakPolarHBondContact O-CG 3.31Å; S269-K273 PolarHBondContact O-N 2.64Å |
| 270 | T | 91.9 | Very high | 89.3 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | T266 R267 L268 K272 K273 K274 | T266-T270 WeakPolarHBondContact O-CB 3.26Å; T266-T270 PolarHBondContact O-N 3.01Å; T266-T270 PolarHBondContact O-OG1 3.12Å; R267-T270 WeakPolarHBondContact O-CB 3.49Å; R267-T270 PolarHBondContact O-N 3.01Å; R267-T270 VanDerWaalsContact O-N 3.16Å; L268-T270 VanDerWaalsContact C-N 3.35Å; L268-T270 PolarHBondContact O-N 3.31Å; T270-K272 VanDerWaalsContact C-N 3.34Å; T270-K272 PolarHBondContact O-N 3.4Å; T270-K273 PolarHBondContact O-N 2.96Å; T270-K274 HydrophobicContact CG2-CD 4.06Å; T270-K274 HydrophobicContact CG2-CG 4.39Å; T270-K274 WeakPolarHBondContact O-CB 3.44Å; T270-K274 WeakPolarHBondContact O-CG 3.18Å; T270-K274 PolarHBondContact O-N 3.4Å |
| 271 | D | 91.1 | Very high | 89.4 | Confident | 54 Ų | 54 | 79.4 Ų | 79.4 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 179.6 | -68.8 | -18.4 | 0 | 0 | 0 | 111.5 | L146 R267 L268 K273 K274 Q275 | L146-D271 HydrophobicContact CD1-CB 3.84Å; R267-D271 WeakPolarHBondContact O-CB 3.2Å; R267-D271 VanDerWaalsContact O-CG 3.26Å; R267-D271 PolarHBondContact O-N 3.42Å; L268-D271 PolarHBondContact O-N 3.44Å; D271-K273 PolarHBondContact O-N 3.49Å; D271-K274 PolarHBondContact O-N 2.95Å; D271-Q275 WeakPolarHBondContact O-CB 3.5Å; D271-Q275 VanDerWaalsContact O-CG 3.3Å; D271-Q275 WeakPolarHBondContact O-CG 3.37Å; D271-Q275 PolarHBondContact O-N 2.93Å |
| 272 | K | 89.4 | Confident | 89.9 | Confident | 61 Ų | 61 | 77.5 Ų | 77.5 | 27% | 0.265 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.4 | -52.1 | 170.7 | -169.2 | 179.3 | 171 | -174.9 | 0 | 111 | Y143 L146 L150 L268 T270 K274 Q275 F276 | Y143-K272 HydrophobicContact CE2-CG 4.18Å; L146-K272 VanDerWaalsContact CD2-CA 3.46Å; L146-K272 HydrophobicContact CD2-CB 3.35Å; L146-K272 HydrophobicContact CD2-CG 3.88Å; L150-K272 HydrophobicContact CD1-CD 4.21Å; L268-K272 WeakPolarHBondContact O-CB 3.39Å; L268-K272 PolarHBondContact O-N 3.08Å; T270-K272 VanDerWaalsContact C-N 3.34Å; T270-K272 PolarHBondContact O-N 3.4Å; K272-K274 PolarHBondContact O-N 3.34Å; K272-Q275 PolarHBondContact O-N 3.33Å; K272-F276 WeakPolarHBondContact O-CB 3.42Å; K272-F276 PolarHBondContact O-N 2.9Å |
| 273 | K | 88.8 | Confident | 90.2 | Very high | 154 Ų | 154 | 71.2 Ų | 71.2 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | -179.4 | -72.2 | 177.9 | -178.6 | 177.5 | 0 | 111.8 | S269 T270 D271 | S269-K273 WeakPolarHBondContact O-CG 3.31Å; S269-K273 PolarHBondContact O-N 2.64Å; T270-K273 PolarHBondContact O-N 2.96Å; D271-K273 PolarHBondContact O-N 3.49Å |
| 274 | K | 91.3 | Very high | 90.2 | Very high | 136 Ų | 136 | 69.7 Ų | 69.7 | 59% | 0.591 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.3 | -40.4 | 177 | -76.5 | 176.2 | 178.5 | 171 | 0 | 112.4 | T270 D271 K272 P278 | T270-K274 HydrophobicContact CG2-CD 4.06Å; T270-K274 HydrophobicContact CG2-CG 4.39Å; T270-K274 WeakPolarHBondContact O-CB 3.44Å; T270-K274 WeakPolarHBondContact O-CG 3.18Å; T270-K274 PolarHBondContact O-N 3.4Å; D271-K274 PolarHBondContact O-N 2.95Å; K272-K274 PolarHBondContact O-N 3.34Å; K274-P278 WeakPolarHBondContact O-CD 3.18Å; K274-P278 WeakPolarHBondContact O-CG 3.37Å |
| 275 | Q | 88.4 | Confident | 90.4 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75.8 | -32.1 | 179.7 | -71.4 | -70.4 | 1.9 | 0 | 0 | 112.8 | Y143 D271 K272 G277 P278 L279 | Y143-Q275 HydrophobicContact CD2-CB 4.29Å; D271-Q275 WeakPolarHBondContact O-CB 3.5Å; D271-Q275 VanDerWaalsContact O-CG 3.3Å; D271-Q275 WeakPolarHBondContact O-CG 3.37Å; D271-Q275 PolarHBondContact O-N 2.93Å; K272-Q275 PolarHBondContact O-N 3.33Å; Q275-G277 PolarHBondContact O-N 2.72Å; Q275-P278 WeakPolarHBondContact O-CD 3.49Å; Q275-L279 WeakPolarHBondContact O-CB 3.46Å; Q275-L279 PolarHBondContact O-N 3.07Å |
| 276 | F | 89.6 | Confident | 90.7 | Very high | 70 Ų | 70 | 69.3 Ų | 69.3 | 31% | 0.307 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.2 | -50.5 | -176 | 176.7 | -99.9 | 0 | 0 | 0 | 113.5 | V79 L80 Y143 K272 L279 V280 | V79-F276 HydrophobicContact CG1-CD2 3.86Å; V79-F276 HydrophobicContact CG1-CE2 3.56Å; V79-F276 WeakPolarHBondContact O-CE2 3.48Å; L80-F276 HydrophobicContact CD2-CE2 4.48Å; L80-F276 HydrophobicContact CD2-CZ 3.9Å; Y143-F276 HydrophobicContact CE2-CB 4.37Å; K272-F276 WeakPolarHBondContact O-CB 3.42Å; K272-F276 PolarHBondContact O-N 2.9Å; F276-L279 PolarHBondContact O-N 3.35Å; F276-V280 HydrophobicContact CD1-CG2 4.5Å; F276-V280 HydrophobicContact CD2-CG2 4.26Å; F276-V280 HydrophobicContact CE1-CG2 4.14Å; F276-V280 HydrophobicContact CE2-CG2 3.89Å; F276-V280 HydrophobicContact CZ-CG2 3.83Å; F276-V280 WeakPolarHBondContact O-CG2 3.45Å; F276-V280 PolarHBondContact O-N 2.87Å |
| 277 | G | 89.5 | Confident | 90.8 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.4 | -54.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q275 L279 V280 R281 | Q275-G277 PolarHBondContact O-N 2.72Å; G277-L279 VanDerWaalsContact C-N 3.3Å; G277-L279 PolarHBondContact O-N 3.29Å; G277-V280 PolarHBondContact O-N 3.41Å; G277-R281 PolarHBondContact O-N 2.81Å |
| 278 | P | 92 | Very high | 90.7 | Very high | 73 Ų | 73 | 60 Ų | 60 | 47% | 0.474 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.7 | -39.1 | 173.8 | -26.2 | 35.5 | 0 | 0 | 0 | 113.4 | K274 Q275 R281 W282 | K274-P278 WeakPolarHBondContact O-CD 3.18Å; K274-P278 WeakPolarHBondContact O-CG 3.37Å; Q275-P278 WeakPolarHBondContact O-CD 3.49Å; P278-R281 PolarHBondContact O-N 3.01Å; P278-W282 VanDerWaalsContact O-CB 3.3Å; P278-W282 WeakPolarHBondContact O-CB 3.46Å; P278-W282 PolarHBondContact O-N 2.92Å |
| 279 | L | 90.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 177.6 | 179.8 | 62.8 | 0 | 0 | 0 | 111.3 | Y75 V79 R139 Y143 Q275 F276 G277 R281 W282 L283 | Y75-L279 HydrophobicContact CE1-CD1 4.5Å; Y75-L279 HydrophobicContact CE1-CD2 4.38Å; V79-L279 HydrophobicContact CG1-CD2 4.38Å; V79-L279 HydrophobicContact CG2-CD2 4.13Å; R139-L279 HydrophobicContact CB-CD1 4.02Å; Y143-L279 HydrophobicContact CD1-CD2 3.87Å; Y143-L279 HydrophobicContact CD2-CD2 3.78Å; Y143-L279 HydrophobicContact CE1-CD2 4.37Å; Y143-L279 HydrophobicContact CE2-CD2 4.31Å; Y143-L279 HydrophobicContact CG-CD2 3.54Å; Q275-L279 WeakPolarHBondContact O-CB 3.46Å; Q275-L279 PolarHBondContact O-N 3.07Å; F276-L279 PolarHBondContact O-N 3.35Å; G277-L279 VanDerWaalsContact C-N 3.3Å; G277-L279 PolarHBondContact O-N 3.29Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.26Å; L279-W282 PolarHBondContact O-N 2.91Å; L279-L283 HydrophobicContact CD1-CD1 4.37Å; L279-L283 HydrophobicContact CD1-CG 4.39Å; L279-L283 HydrophobicContact CG-CD1 4.09Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.35Å |
| 280 | V | 90.1 | Very high | 91 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 11% | 0.109 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 177.2 | 164.4 | 0 | 0 | 0 | 0 | 111.3 | M76 V79 L80 F276 G277 W282 L283 K284 | M76-V280 HydrophobicContact CE-CB 4.45Å; M76-V280 HydrophobicContact CE-CG1 3.67Å; M76-V280 HydrophobicContact CE-CG2 4.46Å; V79-V280 HydrophobicContact CG1-CG2 3.93Å; L80-V280 HydrophobicContact CD2-CG2 4.49Å; F276-V280 HydrophobicContact CD1-CG2 4.5Å; F276-V280 HydrophobicContact CD2-CG2 4.26Å; F276-V280 HydrophobicContact CE1-CG2 4.14Å; F276-V280 HydrophobicContact CE2-CG2 3.89Å; F276-V280 HydrophobicContact CZ-CG2 3.83Å; F276-V280 WeakPolarHBondContact O-CG2 3.45Å; F276-V280 PolarHBondContact O-N 2.87Å; G277-V280 PolarHBondContact O-N 3.41Å; V280-W282 VanDerWaalsContact C-N 3.34Å; V280-W282 PolarHBondContact O-N 3.27Å; V280-L283 PolarHBondContact O-N 2.94Å; V280-K284 HydrophobicContact CG1-CD 4.48Å; V280-K284 WeakPolarHBondContact O-CG 3.48Å; V280-K284 PolarHBondContact O-N 3.32Å |
| 281 | R | 90.3 | Very high | 90.9 | Very high | 191 Ų | 191 | 57 Ų | 57 | 72% | 0.721 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 176.7 | -174 | 176.9 | -178.6 | 169.6 | 0.7 | 111.7 | G277 P278 L279 K284 V285 | G277-R281 PolarHBondContact O-N 2.81Å; P278-R281 PolarHBondContact O-N 3.01Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.26Å; R281-K284 PolarHBondContact O-N 3.33Å; R281-V285 WeakPolarHBondContact O-CG2 3.4Å; R281-V285 PolarHBondContact O-N 2.89Å |
| 282 | W | 93.6 | Very high | 90.9 | Very high | 38 Ų | 38 | 55 Ų | 55 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -46 | 176.8 | -174.2 | 90.1 | 0 | 0 | 0 | 110.9 | D135 L136 P278 L279 V280 K284 V285 N286 | D135-W282 HydrophobicContact CB-CH2 3.78Å; D135-W282 HydrophobicContact CB-CZ2 3.38Å; L136-W282 HydrophobicContact CB-CH2 4.11Å; L136-W282 HydrophobicContact CB-CZ3 4.21Å; L136-W282 HydrophobicContact CD1-CZ3 4.15Å; P278-W282 VanDerWaalsContact O-CB 3.3Å; P278-W282 WeakPolarHBondContact O-CB 3.46Å; P278-W282 PolarHBondContact O-N 2.92Å; L279-W282 PolarHBondContact O-N 2.91Å; V280-W282 VanDerWaalsContact C-N 3.34Å; V280-W282 PolarHBondContact O-N 3.27Å; W282-K284 PolarHBondContact O-N 3.21Å; W282-V285 PolarHBondContact O-N 3.36Å; W282-N286 HydrophobicContact CH2-CB 4.23Å; W282-N286 HydrophobicContact CZ2-CB 4.35Å; W282-N286 WeakPolarHBondContact CZ2-ND2 3.24Å; W282-N286 HydrophobicContact CZ3-CB 4.35Å; W282-N286 PolarHBondContact NE1-ND2 3.29Å; W282-N286 VanDerWaalsContact NE1-ND2 3.14Å; W282-N286 PolarHBondContact O-N 3.4Å; W282-N286 PolarHBondContact O-ND2 3.46Å |
| 283 | L | 91.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 177.7 | -71.3 | 169.7 | 0 | 0 | 0 | 112.1 | V72 Y75 M76 V79 L136 L279 V280 V285 N286 F287 | V72-L283 HydrophobicContact CG1-CD2 4.2Å; Y75-L283 HydrophobicContact CD1-CD1 3.92Å; Y75-L283 HydrophobicContact CD1-CD2 3.84Å; Y75-L283 HydrophobicContact CE1-CD1 4.17Å; Y75-L283 HydrophobicContact CE1-CD2 4.45Å; M76-L283 HydrophobicContact SD-CB 3.58Å; M76-L283 VanDerWaalsContact SD-CB 3.58Å; M76-L283 HydrophobicContact SD-CD1 3.76Å; M76-L283 HydrophobicContact SD-CG 4.31Å; V79-L283 HydrophobicContact CG2-CD1 4.26Å; L136-L283 HydrophobicContact CD1-CD2 3.56Å; L279-L283 HydrophobicContact CD1-CD1 4.37Å; L279-L283 HydrophobicContact CD1-CG 4.39Å; L279-L283 HydrophobicContact CG-CD1 4.09Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.35Å; V280-L283 PolarHBondContact O-N 2.94Å; L283-V285 PolarHBondContact O-N 3.39Å; L283-N286 PolarHBondContact O-N 3.11Å; L283-F287 WeakPolarHBondContact O-CB 3.45Å; L283-F287 PolarHBondContact O-N 2.95Å |
| 284 | K | 89.9 | Confident | 91.3 | Very high | 79 Ų | 79 | 44.8 Ų | 44.8 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.3 | -48.9 | 176.2 | -70.8 | 174.9 | -178.6 | -162.1 | 0 | 112.9 | M76 N90 V280 R281 W282 S288 | M76-K284 HydrophobicContact CE-CG 4.24Å; N90-K284 HydrophobicContact CB-CG 4.31Å; N90-K284 WeakPolarHBondContact OD1-CE 3.46Å; N90-K284 PolarHBondContact OD1-NZ 3.05Å; V280-K284 HydrophobicContact CG1-CD 4.48Å; V280-K284 WeakPolarHBondContact O-CG 3.48Å; V280-K284 PolarHBondContact O-N 3.32Å; R281-K284 PolarHBondContact O-N 3.33Å; W282-K284 PolarHBondContact O-N 3.21Å; K284-S288 PolarHBondContact O-N 3.48Å; K284-S288 VanDerWaalsContact O-N 3.07Å |
| 285 | V | 91.9 | Very high | 91.3 | Very high | 77 Ų | 77 | 38.3 Ų | 38.3 | 47% | 0.467 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.9 | -49.9 | -178.1 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | R281 W282 L283 F287 S288 E289 | R281-V285 WeakPolarHBondContact O-CG2 3.4Å; R281-V285 PolarHBondContact O-N 2.89Å; W282-V285 PolarHBondContact O-N 3.36Å; L283-V285 PolarHBondContact O-N 3.39Å; V285-F287 VanDerWaalsContact C-N 3.34Å; V285-F287 PolarHBondContact O-N 2.93Å; V285-S288 WeakPolarHBondContact O-CB 3.48Å; V285-S288 PolarHBondContact O-N 3.4Å; V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 2.66Å |
| 286 | N | 92.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 33.1 Ų | 33.1 | 10% | 0.096 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.2 | -30.7 | -176.6 | -69.4 | -81.5 | 0 | 0 | 0 | 112.6 | I132 W282 L283 E289 A290 | I132-N286 HydrophobicContact CG1-CB 4.41Å; I132-N286 HydrophobicContact CG2-CB 4.01Å; W282-N286 HydrophobicContact CH2-CB 4.23Å; W282-N286 HydrophobicContact CZ2-CB 4.35Å; W282-N286 WeakPolarHBondContact CZ2-ND2 3.24Å; W282-N286 HydrophobicContact CZ3-CB 4.35Å; W282-N286 PolarHBondContact NE1-ND2 3.29Å; W282-N286 VanDerWaalsContact NE1-ND2 3.14Å; W282-N286 PolarHBondContact O-N 3.4Å; W282-N286 PolarHBondContact O-ND2 3.46Å; L283-N286 PolarHBondContact O-N 3.11Å; N286-E289 PolarHBondContact O-N 3.46Å; N286-A290 VanDerWaalsContact O-CB 3.22Å; N286-A290 WeakPolarHBondContact O-CB 3.46Å; N286-A290 PolarHBondContact O-N 2.76Å |
| 287 | F | 92.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 169.8 | 175.7 | -100.5 | 0 | 0 | 0 | 111.2 | V69 V72 A73 L91 L98 L283 V285 E289 A290 F291 L378 | V69-F287 HydrophobicContact CG1-CD2 4.37Å; V69-F287 HydrophobicContact CG1-CE2 3.76Å; V72-F287 HydrophobicContact CB-CD2 4.42Å; V72-F287 HydrophobicContact CG1-CB 3.73Å; V72-F287 HydrophobicContact CG1-CD2 4.12Å; V72-F287 HydrophobicContact CG1-CG 4.42Å; A73-F287 HydrophobicContact CB-CD2 4.37Å; A73-F287 HydrophobicContact CB-CE2 3.94Å; L91-F287 HydrophobicContact CB-CD1 4.22Å; L91-F287 HydrophobicContact CB-CE1 3.59Å; L91-F287 HydrophobicContact CB-CZ 3.91Å; L91-F287 HydrophobicContact CD1-CZ 4.44Å; L91-F287 HydrophobicContact CD2-CD1 3.72Å; L91-F287 HydrophobicContact CD2-CD2 3.79Å; L91-F287 HydrophobicContact CD2-CE1 3.73Å; L91-F287 HydrophobicContact CD2-CE2 3.8Å; L91-F287 HydrophobicContact CD2-CG 3.75Å; L91-F287 HydrophobicContact CD2-CZ 3.77Å; L91-F287 HydrophobicContact CG-CE1 4.19Å; L91-F287 HydrophobicContact CG-CZ 4.23Å; L98-F287 HydrophobicContact CD1-CZ 4.12Å; L98-F287 HydrophobicContact CD2-CE1 3.94Å; L98-F287 HydrophobicContact CD2-CZ 4.19Å; L283-F287 WeakPolarHBondContact O-CB 3.45Å; L283-F287 PolarHBondContact O-N 2.95Å; V285-F287 VanDerWaalsContact C-N 3.34Å; V285-F287 PolarHBondContact O-N 2.93Å; F287-E289 VanDerWaalsContact C-N 3.31Å; F287-E289 PolarHBondContact O-N 3.35Å; F287-A290 PolarHBondContact O-N 3.38Å; F287-F291 WeakPolarHBondContact O-CB 3.3Å; F287-F291 PolarHBondContact O-N 3.08Å; F287-L378 HydrophobicContact CE2-CD1 3.65Å; F287-L378 HydrophobicContact CZ-CD1 3.4Å; F287-L378 VanDerWaalsContact CZ-CD1 3.4Å |
| 288 | S | 91.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 28 Ų | 28 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 111 | L92 N94 K284 V285 F291 I292 | L92-S288 WeakPolarHBondContact O-CB 3.4Å; N94-S288 PolarHBondContact N-OG 3.18Å; K284-S288 PolarHBondContact O-N 3.48Å; K284-S288 VanDerWaalsContact O-N 3.07Å; V285-S288 WeakPolarHBondContact O-CB 3.48Å; V285-S288 PolarHBondContact O-N 3.4Å; S288-F291 PolarHBondContact O-N 3.14Å; S288-I292 WeakPolarHBondContact O-CB 3.28Å; S288-I292 WeakPolarHBondContact O-CD1 3.38Å; S288-I292 WeakPolarHBondContact O-CG1 3.42Å; S288-I292 PolarHBondContact O-N 2.85Å |
| 289 | E | 91.1 | Very high | 91.4 | Very high | 55 Ų | 55 | 24.6 Ų | 24.6 | 26% | 0.257 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -66.1 | -43.4 | -179.7 | -67.3 | -152.4 | 146.2 | 0 | 0 | 113.1 | K111 Q128 I132 V285 N286 F287 F291 I292 A293 | K111-E289 IonicContact NZ-OE1 2.76Å; K111-E289 PolarHBondContact NZ-OE1 3.1Å; Q128-E289 PolarHBondContact NE2-OE2 2.94Å; I132-E289 HydrophobicContact CD1-CB 4.3Å; V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 2.66Å; N286-E289 PolarHBondContact O-N 3.46Å; F287-E289 VanDerWaalsContact C-N 3.31Å; F287-E289 PolarHBondContact O-N 3.35Å; E289-F291 VanDerWaalsContact C-N 3.34Å; E289-F291 PolarHBondContact O-N 2.84Å; E289-I292 PolarHBondContact O-N 2.77Å; E289-A293 WeakPolarHBondContact O-CB 3.32Å; E289-A293 PolarHBondContact O-N 3.08Å |
| 290 | A | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V69 I132 N286 F287 A293 W294 | V69-A290 HydrophobicContact CG2-CB 3.69Å; I132-A290 HydrophobicContact CD1-CB 4.24Å; N286-A290 VanDerWaalsContact O-CB 3.22Å; N286-A290 WeakPolarHBondContact O-CB 3.46Å; N286-A290 PolarHBondContact O-N 2.76Å; F287-A290 PolarHBondContact O-N 3.38Å; A290-A293 PolarHBondContact O-N 3.12Å; A290-W294 WeakPolarHBondContact O-CB 3.32Å; A290-W294 PolarHBondContact O-N 3.45Å |
| 291 | F | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67 | -43.6 | 176.3 | -171.8 | -93.3 | 0 | 0 | 0 | 111.8 | V69 A93 L98 Y101 V102 F287 S288 E289 A293 W294 I295 L378 | V69-F291 HydrophobicContact CG1-CD2 4.2Å; A93-F291 HydrophobicContact CB-CD1 3.64Å; A93-F291 HydrophobicContact CB-CE1 4.19Å; A93-F291 HydrophobicContact CB-CG 4.47Å; L98-F291 HydrophobicContact CB-CE1 4.3Å; L98-F291 HydrophobicContact CB-CE2 4.42Å; L98-F291 HydrophobicContact CB-CZ 3.92Å; L98-F291 HydrophobicContact CD1-CE2 4.22Å; L98-F291 HydrophobicContact CD2-CD1 3.79Å; L98-F291 HydrophobicContact CD2-CD2 3.98Å; L98-F291 HydrophobicContact CD2-CE1 3.75Å; L98-F291 HydrophobicContact CD2-CE2 3.96Å; L98-F291 HydrophobicContact CD2-CG 3.89Å; L98-F291 HydrophobicContact CD2-CZ 3.85Å; L98-F291 HydrophobicContact CG-CE2 4.43Å; L98-F291 HydrophobicContact CG-CZ 4.32Å; Y101-F291 HydrophobicContact CD1-CD1 4.17Å; Y101-F291 AromaticContact CD1-CE1 3.79Å; Y101-F291 HydrophobicContact CD1-CE1 3.79Å; Y101-F291 HydrophobicContact CE1-CD1 4.45Å; Y101-F291 HydrophobicContact CE1-CE1 4.38Å; V102-F291 HydrophobicContact CG2-CE1 3.89Å; V102-F291 HydrophobicContact CG2-CZ 3.75Å; F287-F291 WeakPolarHBondContact O-CB 3.3Å; F287-F291 PolarHBondContact O-N 3.08Å; S288-F291 PolarHBondContact O-N 3.14Å; E289-F291 VanDerWaalsContact C-N 3.34Å; E289-F291 PolarHBondContact O-N 2.84Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 2.82Å; F291-W294 AromaticContact CD2-CE3 3.94Å; F291-W294 HydrophobicContact CD2-CE3 3.94Å; F291-W294 HydrophobicContact CD2-CZ3 4.35Å; F291-W294 AromaticContact CE2-CE3 3.83Å; F291-W294 HydrophobicContact CE2-CE3 3.83Å; F291-W294 AromaticContact CE2-CZ3 3.88Å; F291-W294 HydrophobicContact CE2-CZ3 3.88Å; F291-W294 WeakPolarHBondContact O-CB 3.42Å; F291-W294 PolarHBondContact O-N 3.35Å; F291-I295 HydrophobicContact CD1-CG1 4.2Å; F291-I295 HydrophobicContact CE1-CD1 4.23Å; F291-I295 HydrophobicContact CE1-CG1 3.83Å; F291-I295 HydrophobicContact CZ-CD1 4.1Å; F291-I295 HydrophobicContact CZ-CG1 4.21Å; F291-I295 WeakPolarHBondContact O-CG1 3.16Å; F291-I295 PolarHBondContact O-N 3.11Å; F291-I295 VanDerWaalsContact O-N 3.08Å; F291-L378 HydrophobicContact CD2-CD1 4.13Å; F291-L378 HydrophobicContact CE2-CD1 4.23Å |
| 292 | I | 91.3 | Very high | 91.1 | Very high | 11 Ų | 11 | 16 Ų | 16 | 6% | 0.056 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 174.3 | -69.8 | 164.8 | 0 | 0 | 0 | 109.8 | N94 Y101 S288 E289 W294 I295 H296 | N94-I292 HydrophobicContact CB-CD1 4.33Å; Y101-I292 HydrophobicContact CE1-CG1 4.41Å; Y101-I292 HydrophobicContact CE2-CG1 4.08Å; S288-I292 WeakPolarHBondContact O-CB 3.28Å; S288-I292 WeakPolarHBondContact O-CD1 3.38Å; S288-I292 WeakPolarHBondContact O-CG1 3.42Å; S288-I292 PolarHBondContact O-N 2.85Å; E289-I292 PolarHBondContact O-N 2.77Å; I292-W294 VanDerWaalsContact C-N 3.29Å; I292-W294 PolarHBondContact O-N 3.37Å; I292-I295 PolarHBondContact O-N 3.26Å; I292-H296 PolarHBondContact O-N 2.92Å; I292-H296 PolarHBondContact O-ND1 3.18Å |
| 293 | A | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V125 V129 E289 A290 F291 H296 I297 | V125-A293 HydrophobicContact CG1-CB 3.96Å; V129-A293 HydrophobicContact CG2-CB 4.07Å; E289-A293 WeakPolarHBondContact O-CB 3.32Å; E289-A293 PolarHBondContact O-N 3.08Å; A290-A293 PolarHBondContact O-N 3.12Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 2.82Å; A293-H296 PolarHBondContact O-N 3.38Å; A293-I297 WeakPolarHBondContact O-CG1 3.07Å; A293-I297 PolarHBondContact O-N 2.96Å |
| 294 | W | 92.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 0% | 0.004 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 176.7 | -170.9 | 37.3 | 0 | 0 | 0 | 112.4 | D62 V65 E66 V69 A290 F291 I292 H296 I297 K298 I374 L378 | D62-W294 VanDerWaalsContact OD1-CD1 3.22Å; D62-W294 PolarHBondContact OD1-NE1 2.76Å; V65-W294 HydrophobicContact CG1-CB 3.68Å; V65-W294 HydrophobicContact CG1-CG 4.17Å; E66-W294 HydrophobicContact CB-CZ2 3.92Å; E66-W294 HydrophobicContact CG-CH2 4.23Å; E66-W294 HydrophobicContact CG-CZ2 3.57Å; V69-W294 HydrophobicContact CG2-CB 4.4Å; A290-W294 WeakPolarHBondContact O-CB 3.32Å; A290-W294 PolarHBondContact O-N 3.45Å; F291-W294 AromaticContact CD2-CE3 3.94Å; F291-W294 HydrophobicContact CD2-CE3 3.94Å; F291-W294 HydrophobicContact CD2-CZ3 4.35Å; F291-W294 AromaticContact CE2-CE3 3.83Å; F291-W294 HydrophobicContact CE2-CE3 3.83Å; F291-W294 AromaticContact CE2-CZ3 3.88Å; F291-W294 HydrophobicContact CE2-CZ3 3.88Å; F291-W294 WeakPolarHBondContact O-CB 3.42Å; F291-W294 PolarHBondContact O-N 3.35Å; I292-W294 VanDerWaalsContact C-N 3.29Å; I292-W294 PolarHBondContact O-N 3.37Å; W294-H296 VanDerWaalsContact C-N 3.3Å; W294-H296 PolarHBondContact O-N 2.84Å; W294-I297 PolarHBondContact O-N 2.83Å; W294-K298 VanDerWaalsContact NE1-CE 3.32Å; W294-K298 WeakPolarHBondContact O-CG 3.28Å; W294-K298 PolarHBondContact O-N 2.96Å; W294-I374 HydrophobicContact CH2-CG2 4.21Å; W294-I374 HydrophobicContact CZ3-CG2 4.24Å; W294-L378 HydrophobicContact CZ3-CD2 4.36Å |
| 295 | I | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.7 | -35.9 | 178.1 | -57.8 | -56.2 | 0 | 0 | 0 | 111.4 | F38 Y101 V102 F105 F291 I292 K298 A299 I374 | F38-I295 HydrophobicContact CE2-CG2 4.1Å; F38-I295 HydrophobicContact CZ-CG2 4.04Å; Y101-I295 HydrophobicContact CE1-CB 4.31Å; Y101-I295 HydrophobicContact CE1-CG1 4.12Å; Y101-I295 HydrophobicContact CE1-CG2 4.47Å; V102-I295 HydrophobicContact CG2-CD1 3.81Å; V102-I295 HydrophobicContact CG2-CG1 4.22Å; F105-I295 HydrophobicContact CD2-CB 4.43Å; F105-I295 HydrophobicContact CD2-CG2 3.4Å; F105-I295 HydrophobicContact CE2-CB 4.36Å; F105-I295 HydrophobicContact CE2-CG2 3.56Å; F105-I295 HydrophobicContact CG-CG2 4.1Å; F105-I295 HydrophobicContact CZ-CG2 4.37Å; F291-I295 HydrophobicContact CD1-CG1 4.2Å; F291-I295 HydrophobicContact CE1-CD1 4.23Å; F291-I295 HydrophobicContact CE1-CG1 3.83Å; F291-I295 HydrophobicContact CZ-CD1 4.1Å; F291-I295 HydrophobicContact CZ-CG1 4.21Å; F291-I295 WeakPolarHBondContact O-CG1 3.16Å; F291-I295 PolarHBondContact O-N 3.11Å; F291-I295 VanDerWaalsContact O-N 3.08Å; I292-I295 PolarHBondContact O-N 3.26Å; I295-K298 PolarHBondContact O-N 3.24Å; I295-A299 WeakPolarHBondContact O-CB 3.39Å; I295-A299 PolarHBondContact O-N 3.03Å; I295-I374 HydrophobicContact CD1-CD1 4.3Å; I295-I374 HydrophobicContact CD1-CG2 4.18Å |
| 296 | H | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 174.3 | -76 | 83.6 | 0 | 0 | 0 | 112.6 | F105 W107 D108 Y112 I292 A293 W294 A299 L300 | F105-H296 AromaticContact CE2-CE1 3.73Å; F105-H296 AromaticContact CE2-ND1 3.98Å; F105-H296 AromaticContact CE2-NE2 3.92Å; F105-H296 AromaticContact CZ-NE2 3.92Å; W107-H296 AromaticContact CD2-CD2 3.83Å; W107-H296 AromaticContact CE3-CD2 3.71Å; W107-H296 AromaticContact CZ3-CD2 3.85Å; D108-H296 WeakPolarHBondContact CB-NE2 3.14Å; D108-H296 PolarHBondContact N-NE2 2.94Å; Y112-H296 HydrophobicContact CD2-CB 4.17Å; Y112-H296 AromaticContact CD2-CD2 3.29Å; Y112-H296 WeakPolarHBondContact CD2-CD2 3.29Å; Y112-H296 AromaticContact CD2-CG 3.61Å; Y112-H296 AromaticContact CD2-NE2 3.66Å; Y112-H296 HydrophobicContact CE2-CB 3.93Å; Y112-H296 AromaticContact CE2-CD2 3.67Å; Y112-H296 AromaticContact CE2-CE1 3.95Å; Y112-H296 AromaticContact CE2-CG 3.48Å; Y112-H296 VanDerWaalsContact CE2-CG 3.48Å; Y112-H296 AromaticContact CE2-ND1 3.68Å; Y112-H296 AromaticContact CE2-NE2 3.97Å; I292-H296 PolarHBondContact O-N 2.92Å; I292-H296 PolarHBondContact O-ND1 3.18Å; A293-H296 PolarHBondContact O-N 3.38Å; W294-H296 VanDerWaalsContact C-N 3.3Å; W294-H296 PolarHBondContact O-N 2.84Å; H296-A299 WeakPolarHBondContact O-CB 3.47Å; H296-A299 PolarHBondContact O-N 2.88Å; H296-L300 WeakPolarHBondContact O-CG 3.46Å; H296-L300 PolarHBondContact O-N 2.85Å |
| 297 | I | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 172.9 | -72.1 | -70.4 | 0 | 0 | 0 | 111.1 | L58 L61 D62 V125 A293 W294 A299 L300 R301 | L58-I297 HydrophobicContact CD2-CD1 3.86Å; L61-I297 HydrophobicContact CD2-CD1 3.42Å; L61-I297 VanDerWaalsContact CD2-CD1 3.42Å; L61-I297 HydrophobicContact CD2-CG1 4.35Å; L61-I297 HydrophobicContact CG-CD1 3.88Å; L61-I297 HydrophobicContact CG-CG1 4.36Å; D62-I297 HydrophobicContact CB-CG2 3.7Å; V125-I297 HydrophobicContact CB-CD1 4.03Å; V125-I297 HydrophobicContact CB-CG1 4.3Å; V125-I297 HydrophobicContact CG1-CD1 3.8Å; V125-I297 HydrophobicContact CG1-CG1 3.57Å; V125-I297 HydrophobicContact CG2-CD1 4.26Å; V125-I297 HydrophobicContact CG2-CG1 4.44Å; A293-I297 WeakPolarHBondContact O-CG1 3.07Å; A293-I297 PolarHBondContact O-N 2.96Å; W294-I297 PolarHBondContact O-N 2.83Å; I297-A299 VanDerWaalsContact C-N 3.31Å; I297-A299 PolarHBondContact O-N 3.06Å; I297-L300 HydrophobicContact CD1-CD1 4.18Å; I297-L300 WeakPolarHBondContact O-CB 3.33Å; I297-L300 PolarHBondContact O-N 3.21Å; I297-R301 HydrophobicContact CG2-CG 4.44Å; I297-R301 WeakPolarHBondContact O-CB 3.5Å; I297-R301 WeakPolarHBondContact O-CG 3.27Å; I297-R301 PolarHBondContact O-N 3.46Å |
| 298 | K | 90.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 11.1 Ų | 11.1 | 1% | 0.013 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 174.6 | -67.5 | -164.1 | -173.7 | -57.9 | 0 | 112.3 | L6 D62 W294 I295 R301 V302 I374 | L6-K298 HydrophobicContact CD2-CB 4.37Å; D62-K298 VanDerWaalsContact CG-NZ 3.3Å; D62-K298 IonicContact OD1-NZ 2.78Å; D62-K298 PolarHBondContact OD1-NZ 2.98Å; D62-K298 IonicContact OD2-NZ 3.35Å; D62-K298 PolarHBondContact OD2-NZ 3.43Å; W294-K298 VanDerWaalsContact NE1-CE 3.32Å; W294-K298 WeakPolarHBondContact O-CG 3.28Å; W294-K298 PolarHBondContact O-N 2.96Å; I295-K298 PolarHBondContact O-N 3.24Å; K298-R301 PolarHBondContact O-N 3.42Å; K298-V302 VanDerWaalsContact O-CG2 3.28Å; K298-V302 WeakPolarHBondContact O-CG2 3.21Å; K298-V302 PolarHBondContact O-N 3.01Å; K298-I374 HydrophobicContact CD-CD1 3.68Å; K298-I374 HydrophobicContact CD-CG1 3.54Å |
| 299 | A | 89.1 | Confident | 86 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | F38 I40 F105 W107 I295 H296 I297 V302 F303 | F38-A299 HydrophobicContact CE1-CB 3.57Å; F38-A299 HydrophobicContact CZ-CB 3.88Å; I40-A299 HydrophobicContact CD1-CB 4.43Å; F105-A299 HydrophobicContact CE1-CB 4.31Å; F105-A299 HydrophobicContact CZ-CB 4.24Å; W107-A299 HydrophobicContact CE3-CB 4.24Å; W107-A299 HydrophobicContact CZ3-CB 3.82Å; I295-A299 WeakPolarHBondContact O-CB 3.39Å; I295-A299 PolarHBondContact O-N 3.03Å; H296-A299 WeakPolarHBondContact O-CB 3.47Å; H296-A299 PolarHBondContact O-N 2.88Å; I297-A299 VanDerWaalsContact C-N 3.31Å; I297-A299 PolarHBondContact O-N 3.06Å; A299-V302 PolarHBondContact O-N 3.04Å; A299-F303 WeakPolarHBondContact O-CB 3.31Å; A299-F303 PolarHBondContact O-N 3.44Å |
| 300 | L | 88.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.1 | -73.6 | 173.9 | 0 | 0 | 0 | 112.3 | L43 L58 W107 L118 I121 H296 I297 F303 V304 | L43-L300 HydrophobicContact CD1-CD2 3.55Å; L58-L300 HydrophobicContact CD1-CB 4.1Å; L58-L300 HydrophobicContact CD2-CB 4.22Å; L58-L300 HydrophobicContact CD2-CD1 4.33Å; W107-L300 HydrophobicContact CH2-CD1 4.39Å; W107-L300 HydrophobicContact CH2-CD2 3.65Å; W107-L300 HydrophobicContact CH2-CG 3.78Å; W107-L300 HydrophobicContact CZ3-CD2 4.36Å; W107-L300 HydrophobicContact CZ3-CG 4.31Å; L118-L300 HydrophobicContact CD2-CD2 3.68Å; I121-L300 HydrophobicContact CG2-CD1 3.86Å; H296-L300 WeakPolarHBondContact O-CG 3.46Å; H296-L300 PolarHBondContact O-N 2.85Å; I297-L300 HydrophobicContact CD1-CD1 4.18Å; I297-L300 WeakPolarHBondContact O-CB 3.33Å; I297-L300 PolarHBondContact O-N 3.21Å; L300-F303 PolarHBondContact O-N 3.05Å; L300-V304 WeakPolarHBondContact O-CB 3.45Å; L300-V304 WeakPolarHBondContact O-CG2 3.38Å; L300-V304 PolarHBondContact O-N 3.22Å |
| 301 | R | 88.5 | Confident | 82.5 | Confident | 33 Ų | 33 | 16.7 Ų | 16.7 | 13% | 0.125 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 176.3 | -77.6 | -171.2 | 73 | 171.6 | 12.2 | 111.6 | L58 A59 D62 I297 K298 F303 V304 E305 Y372 | L58-R301 HydrophobicContact CB-CG 3.65Å; L58-R301 HydrophobicContact CD1-CG 4.36Å; A59-R301 VanDerWaalsContact CA-CZ 3.49Å; A59-R301 VanDerWaalsContact CB-NH2 3.34Å; D62-R301 IonicContact OD2-CZ 3.98Å; D62-R301 IonicContact OD2-NH1 3.06Å; D62-R301 PolarHBondContact OD2-NH1 2.86Å; I297-R301 HydrophobicContact CG2-CG 4.44Å; I297-R301 WeakPolarHBondContact O-CB 3.5Å; I297-R301 WeakPolarHBondContact O-CG 3.27Å; I297-R301 PolarHBondContact O-N 3.46Å; K298-R301 PolarHBondContact O-N 3.42Å; R301-F303 VanDerWaalsContact C-N 3.29Å; R301-F303 PolarHBondContact O-N 3.41Å; R301-V304 PolarHBondContact O-N 2.98Å; R301-E305 WeakPolarHBondContact O-CB 3.09Å; R301-E305 PolarHBondContact O-N 2.89Å; R301-Y372 HydrophobicContact CB-CE1 4.48Å; R301-Y372 HydrophobicContact CB-CE2 4.02Å; R301-Y372 PolarHBondContact NE-OH 3.42Å; R301-Y372 PolarHBondContact NH2-OH 3.34Å |
| 302 | V | 87.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | 175.1 | 173 | 0 | 0 | 0 | 0 | 111.4 | L6 I40 K298 A299 S306 A319 V370 Y372 | L6-V302 HydrophobicContact CD2-CG2 3.53Å; L6-V302 HydrophobicContact CG-CG2 3.74Å; I40-V302 HydrophobicContact CD1-CB 4.13Å; I40-V302 HydrophobicContact CD1-CG1 3.87Å; K298-V302 VanDerWaalsContact O-CG2 3.28Å; K298-V302 WeakPolarHBondContact O-CG2 3.21Å; K298-V302 PolarHBondContact O-N 3.01Å; A299-V302 PolarHBondContact O-N 3.04Å; V302-S306 WeakPolarHBondContact O-CB 3.31Å; V302-S306 PolarHBondContact O-N 3.41Å; V302-S306 PolarHBondContact O-OG 2.75Å; V302-A319 HydrophobicContact CG1-CB 4.16Å; V302-V370 HydrophobicContact CG1-CG1 4.46Å; V302-V370 HydrophobicContact CG2-CG1 4.5Å; V302-Y372 HydrophobicContact CG2-CD2 3.47Å; V302-Y372 VanDerWaalsContact CG2-CD2 3.47Å; V302-Y372 HydrophobicContact CG2-CE2 3.96Å; V302-Y372 HydrophobicContact CG2-CG 4.44Å |
| 303 | F | 85.4 | Confident | 79.1 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -52.7 | 177.7 | -178.4 | -88.2 | 0 | 0 | 0 | 111.5 | I40 L43 V45 L118 A299 L300 R301 E305 S306 V307 V315 F317 | I40-F303 HydrophobicContact CG2-CB 4.21Å; I40-F303 HydrophobicContact CG2-CD2 3.87Å; I40-F303 HydrophobicContact CG2-CG 4.45Å; L43-F303 HydrophobicContact CB-CD1 4.35Å; L43-F303 HydrophobicContact CB-CE1 3.89Å; L43-F303 HydrophobicContact CB-CE2 4.1Å; L43-F303 HydrophobicContact CB-CZ 3.77Å; L43-F303 HydrophobicContact CD1-CB 4.38Å; L43-F303 HydrophobicContact CD1-CD1 4.14Å; L43-F303 HydrophobicContact CD1-CD2 4.14Å; L43-F303 HydrophobicContact CD1-CG 3.96Å; L43-F303 HydrophobicContact CG-CE2 4.49Å; V45-F303 HydrophobicContact CG2-CE1 3.95Å; V45-F303 HydrophobicContact CG2-CZ 3.81Å; L118-F303 HydrophobicContact CD1-CD1 4.3Å; L118-F303 HydrophobicContact CD1-CE1 4.14Å; L118-F303 HydrophobicContact CD2-CD1 4.26Å; L118-F303 HydrophobicContact CD2-CE1 4.34Å; A299-F303 WeakPolarHBondContact O-CB 3.31Å; A299-F303 PolarHBondContact O-N 3.44Å; L300-F303 PolarHBondContact O-N 3.05Å; R301-F303 VanDerWaalsContact C-N 3.29Å; R301-F303 PolarHBondContact O-N 3.41Å; F303-E305 PolarHBondContact O-N 3.18Å; F303-S306 PolarHBondContact O-N 3.37Å; F303-V307 HydrophobicContact CD1-CG2 4.31Å; F303-V307 HydrophobicContact CE1-CG2 3.99Å; F303-V307 HydrophobicContact CZ-CG2 4.16Å; F303-V307 VanDerWaalsContact O-CG2 3.3Å; F303-V307 WeakPolarHBondContact O-CG2 3.35Å; F303-V307 PolarHBondContact O-N 3.42Å; F303-V315 HydrophobicContact CE2-CG1 4.04Å; F303-V315 HydrophobicContact CZ-CG1 4.47Å; F303-F317 HydrophobicContact CB-CZ 4.37Å; F303-F317 AromaticContact CD2-CE1 3.83Å; F303-F317 HydrophobicContact CD2-CE1 3.83Å; F303-F317 AromaticContact CD2-CZ 3.67Å; F303-F317 HydrophobicContact CD2-CZ 3.67Å; F303-F317 HydrophobicContact CE2-CE1 4.17Å; F303-F317 HydrophobicContact CE2-CZ 4.38Å; F303-F317 HydrophobicContact CG-CZ 4.36Å |
| 304 | V | 83.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | -179.1 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L51 L54 L58 L118 L300 R301 V307 L308 | L51-V304 HydrophobicContact CB-CG1 4.4Å; L51-V304 HydrophobicContact CD2-CG1 4.42Å; L51-V304 HydrophobicContact CD2-CG2 4.3Å; L54-V304 HydrophobicContact CD2-CG2 3.98Å; L58-V304 HydrophobicContact CD1-CB 4.33Å; L58-V304 HydrophobicContact CD1-CG2 3.83Å; L118-V304 HydrophobicContact CD1-CG2 4.03Å; L300-V304 WeakPolarHBondContact O-CB 3.45Å; L300-V304 WeakPolarHBondContact O-CG2 3.38Å; L300-V304 PolarHBondContact O-N 3.22Å; R301-V304 PolarHBondContact O-N 2.98Å; V304-V307 PolarHBondContact O-N 3.17Å; V304-L308 HydrophobicContact CG1-CD1 3.65Å; V304-L308 HydrophobicContact CG1-CG 4.2Å; V304-L308 WeakPolarHBondContact O-CB 3.34Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.32Å; V304-L308 PolarHBondContact O-N 3.11Å |
| 305 | E | 80.9 | Confident | 76.4 | Confident | 48 Ų | 48 | 31.7 Ų | 31.7 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.2 | -33.4 | 175.4 | -76.8 | -170.9 | -174.6 | 0 | 0 | 112.8 | R301 F303 V307 L308 S309 V370 Y372 | R301-E305 WeakPolarHBondContact O-CB 3.09Å; R301-E305 PolarHBondContact O-N 2.89Å; F303-E305 PolarHBondContact O-N 3.18Å; E305-V307 VanDerWaalsContact C-N 3.26Å; E305-V307 PolarHBondContact O-N 2.62Å; E305-L308 PolarHBondContact O-N 2.95Å; E305-S309 WeakPolarHBondContact O-CA 3.46Å; E305-S309 WeakPolarHBondContact O-CB 3.46Å; E305-S309 PolarHBondContact O-N 2.91Å; E305-V370 HydrophobicContact CB-CG1 4.07Å; E305-V370 HydrophobicContact CB-CG2 4.03Å; E305-V370 WeakPolarHBondContact OE2-CG1 3.43Å; E305-Y372 PolarHBondContact OE1-OH 2.94Å; E305-Y372 WeakPolarHBondContact OE2-CE2 3.45Å; E305-Y372 VanDerWaalsContact OE2-CZ 3.31Å; E305-Y372 PolarHBondContact OE2-OH 2.96Å |
| 306 | S | 77.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.8 | -31.6 | 174.7 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | S8 V302 F303 Y311 | S8-S306 VanDerWaalsContact CB-OG 3.29Å; S8-S306 WeakPolarHBondContact CB-OG 3.48Å; S8-S306 PolarHBondContact OG-OG 3.21Å; V302-S306 WeakPolarHBondContact O-CB 3.31Å; V302-S306 PolarHBondContact O-N 3.41Å; V302-S306 PolarHBondContact O-OG 2.75Å; F303-S306 PolarHBondContact O-N 3.37Å; S306-Y311 WeakPolarHBondContact O-CD2 3.25Å |
| 307 | V | 77.9 | Confident | 74.9 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -76.8 | -41.6 | 175.6 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | V45 L51 F303 V304 E305 V315 | V45-V307 HydrophobicContact CG1-CG1 3.98Å; L51-V307 HydrophobicContact CD1-CB 4.36Å; L51-V307 HydrophobicContact CD1-CG1 3.56Å; F303-V307 HydrophobicContact CD1-CG2 4.31Å; F303-V307 HydrophobicContact CE1-CG2 3.99Å; F303-V307 HydrophobicContact CZ-CG2 4.16Å; F303-V307 VanDerWaalsContact O-CG2 3.3Å; F303-V307 WeakPolarHBondContact O-CG2 3.35Å; F303-V307 PolarHBondContact O-N 3.42Å; V304-V307 PolarHBondContact O-N 3.17Å; E305-V307 VanDerWaalsContact C-N 3.26Å; E305-V307 PolarHBondContact O-N 2.62Å; V307-V315 HydrophobicContact CG2-CG1 4.29Å; V307-V315 HydrophobicContact CG2-CG2 4.13Å |
| 308 | L | 72.5 | Confident | 74.4 | Confident | 54 Ų | 54 | 36.8 Ų | 36.8 | 28% | 0.283 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -75.4 | -47.5 | 178.7 | -73.6 | 176.7 | 0 | 0 | 0 | 112.6 | L51 V52 V304 E305 R310 | L51-L308 HydrophobicContact CB-CD1 4.21Å; L51-L308 HydrophobicContact CB-CD2 3.56Å; L51-L308 HydrophobicContact CB-CG 3.93Å; L51-L308 HydrophobicContact CD1-CD2 4.26Å; V52-L308 HydrophobicContact CG2-CD2 3.86Å; V304-L308 HydrophobicContact CG1-CD1 3.65Å; V304-L308 HydrophobicContact CG1-CG 4.2Å; V304-L308 WeakPolarHBondContact O-CB 3.34Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.32Å; V304-L308 PolarHBondContact O-N 3.11Å; E305-L308 PolarHBondContact O-N 2.95Å; L308-R310 PolarHBondContact O-N 2.89Å |
| 309 | S | 56.8 | Low | 74.1 | Confident | 42 Ų | 42 | 36.8 Ų | 36.8 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -82.2 | 55.5 | -175.5 | -159.8 | 0 | 0 | 0 | 0 | 111.6 | E305 | E305-S309 WeakPolarHBondContact O-CA 3.46Å; E305-S309 WeakPolarHBondContact O-CB 3.46Å; E305-S309 PolarHBondContact O-N 2.91Å |
| 310 | R | 56.2 | Low | 74 | Confident | 97 Ų | 97 | 36.8 Ų | 36.8 | 37% | 0.366 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | 97.8 | 8.1 | 148.9 | -45.3 | 149.8 | -172 | -157.3 | 0.5 | 119.2 | L308 L343 D344 A347 Y366 | L308-R310 PolarHBondContact O-N 2.89Å; R310-L343 PolarHBondContact NH1-O 2.98Å; R310-D344 IonicContact NH1-OD1 3.59Å; R310-A347 VanDerWaalsContact NH2-CB 3.29Å; R310-Y366 PolarHBondContact NH1-OH 2.76Å; R310-Y366 PolarHBondContact NH2-OH 3.44Å |
| 311 | Y | 54.1 | Low | 73.8 | Confident | 49 Ų | 49 | 36.7 Ų | 36.7 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -100.3 | -13.3 | 177.3 | -51.5 | -43.3 | 0 | 0 | 0 | 115.4 | P10 S306 F317 | P10-Y311 HydrophobicContact CB-CD1 3.49Å; P10-Y311 VanDerWaalsContact CB-CD1 3.49Å; P10-Y311 HydrophobicContact CB-CE1 3.33Å; P10-Y311 HydrophobicContact CB-CE2 4.46Å; P10-Y311 HydrophobicContact CB-CG 4.16Å; P10-Y311 VanDerWaalsContact CD-OH 3.27Å; P10-Y311 WeakPolarHBondContact CD-OH 3.4Å; P10-Y311 HydrophobicContact CG-CD1 4.02Å; P10-Y311 HydrophobicContact CG-CE1 3.34Å; S306-Y311 WeakPolarHBondContact O-CD2 3.25Å; Y311-F317 HydrophobicContact CD2-CB 4.09Å; Y311-F317 HydrophobicContact CE2-CB 4.36Å |
| 312 | G | 53.8 | Low | 73.7 | Confident | 40 Ų | 40 | 35.1 Ų | 35.1 | 41% | 0.412 | 19% | 0.194 | S | C | . | . | trans | 62.4 | -171 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 313 | L | 57.5 | Low | 73.6 | Confident | 133 Ų | 133 | 36.6 Ų | 36.6 | 70% | 0.696 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -96.7 | 137.6 | 168.8 | -69 | 170.4 | 0 | 0 | 0 | 108.5 | V315 | L313-V315 HydrophobicContact CD2-CG2 3.76Š|
| 314 | P | 62.8 | Low | 73.4 | Confident | 110 Ų | 110 | 36.7 Ų | 36.7 | 71% | 0.714 | 20% | 0.201 | S | C | * | . | S | Bend | cis | -79.6 | 150.6 | 7 | 31.7 | -34.7 | 0 | 0 | 0 | 113.9 | N316 | P314-N316 PolarHBondContact O-N 2.91Š|
| 315 | V | 66.6 | Low | 73.3 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 26% | 0.261 | 21% | 0.211 | S | C | . | . | trans | -62.8 | 101.1 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | V45 F303 V307 L313 F317 | V45-V315 HydrophobicContact CG2-CG2 4.15Å; F303-V315 HydrophobicContact CE2-CG1 4.04Å; F303-V315 HydrophobicContact CZ-CG1 4.47Å; V307-V315 HydrophobicContact CG2-CG1 4.29Å; V307-V315 HydrophobicContact CG2-CG2 4.13Å; L313-V315 HydrophobicContact CD2-CG2 3.76Å; V315-F317 HydrophobicContact CG1-CD1 3.46Å; V315-F317 VanDerWaalsContact CG1-CD1 3.46Å; V315-F317 HydrophobicContact CG1-CE1 3.3Å; V315-F317 HydrophobicContact CG1-CZ 4.49Å | ||
| 316 | N | 72.4 | Confident | 73 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 32% | 0.316 | 24% | 0.236 | S | C | . | . | trans | -132.9 | 77.6 | -177.8 | -178.7 | 18.3 | 0 | 0 | 0 | 109.9 | G11 C15 P314 | G11-N316 PolarHBondContact N-O 2.65Å; G11-N316 PolarHBondContact O-ND2 3.32Å; C15-N316 PolarHBondContact SG-OD1 3.22Å; P314-N316 PolarHBondContact O-N 2.91Å | ||
| 317 | F | 77.7 | Confident | 72.9 | Confident | 27 Ų | 27 | 54 Ų | 54 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 155 | 177.4 | 71.6 | -98.4 | 0 | 0 | 0 | 110.9 | S8 A9 I40 F303 Y311 V315 A319 | S8-F317 WeakPolarHBondContact OG-CD2 3.47Å; A9-F317 WeakPolarHBondContact O-CA 3.22Å; I40-F317 HydrophobicContact CD1-CE2 4.13Å; I40-F317 HydrophobicContact CD1-CZ 4.44Å; F303-F317 HydrophobicContact CB-CZ 4.37Å; F303-F317 AromaticContact CD2-CE1 3.83Å; F303-F317 HydrophobicContact CD2-CE1 3.83Å; F303-F317 AromaticContact CD2-CZ 3.67Å; F303-F317 HydrophobicContact CD2-CZ 3.67Å; F303-F317 HydrophobicContact CE2-CE1 4.17Å; F303-F317 HydrophobicContact CE2-CZ 4.38Å; F303-F317 HydrophobicContact CG-CZ 4.36Å; Y311-F317 HydrophobicContact CD2-CB 4.09Å; Y311-F317 HydrophobicContact CE2-CB 4.36Å; V315-F317 HydrophobicContact CG1-CD1 3.46Å; V315-F317 VanDerWaalsContact CG1-CD1 3.46Å; V315-F317 HydrophobicContact CG1-CE1 3.3Å; V315-F317 HydrophobicContact CG1-CZ 4.49Å; F317-A319 HydrophobicContact CD2-CB 4.45Å; F317-A319 HydrophobicContact CE2-CB 4.16Å |
| 318 | Q | 81.8 | Confident | 73 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 108.2 | 173.9 | -179.6 | 62.9 | 66.2 | 0 | 0 | 109.2 | A9 C15 W19 M320 | A9-Q318 PolarHBondContact N-O 2.94Å; A9-Q318 PolarHBondContact O-N 3.49Å; C15-Q318 HydrophobicContact CB-CB 4.06Å; W19-Q318 HydrophobicContact CB-CG 4.3Å; Q318-M320 HydrophobicContact CG-CE 4.19Å |
| 319 | A | 84.8 | Confident | 73.3 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 141.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I7 F38 I40 V302 F317 | I7-A319 WeakPolarHBondContact O-CA 3.48Å; F38-A319 HydrophobicContact CB-CB 4.13Å; F38-A319 HydrophobicContact CD1-CB 4.2Å; F38-A319 PolarHBondContact N-O 2.78Å; F38-A319 VanDerWaalsContact N-O 3.16Å; I40-A319 HydrophobicContact CD1-CB 3.75Å; I40-A319 HydrophobicContact CG1-CB 4.19Å; V302-A319 HydrophobicContact CG1-CB 4.16Å; F317-A319 HydrophobicContact CD2-CB 4.45Å; F317-A319 HydrophobicContact CE2-CB 4.16Å |
| 320 | M | 85.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 133.6 | -169.8 | 39 | 176.8 | 62 | 0 | 0 | 109.6 | I7 W19 L22 Q318 | I7-M320 HydrophobicContact CB-CG 4.2Å; I7-M320 PolarHBondContact N-O 2.83Å; I7-M320 WeakPolarHBondContact O-CG 3.36Å; I7-M320 PolarHBondContact O-N 2.64Å; I7-M320 VanDerWaalsContact O-O 3.13Å; W19-M320 HydrophobicContact CE3-CB 4.1Å; W19-M320 HydrophobicContact CE3-CE 3.98Å; W19-M320 HydrophobicContact CZ3-CB 3.69Å; L22-M320 HydrophobicContact CB-CE 3.89Å; L22-M320 HydrophobicContact CB-SD 4.22Å; L22-M320 HydrophobicContact CD1-CE 4.2Å; L22-M320 HydrophobicContact CD1-SD 3.42Å; L22-M320 WeakPolarHBondContact CD1-SD 3.35Å; L22-M320 HydrophobicContact CD2-CE 3.66Å; L22-M320 HydrophobicContact CD2-CG 4.49Å; L22-M320 HydrophobicContact CD2-SD 3.28Å; L22-M320 WeakPolarHBondContact CD2-SD 3.32Å; L22-M320 HydrophobicContact CG-CE 4.09Å; L22-M320 HydrophobicContact CG-SD 3.76Å; Q318-M320 HydrophobicContact CG-CE 4.19Å |
| 321 | L | 85.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.8 | 178.3 | -174.4 | 83.3 | 0 | 0 | 0 | 108.4 | F4 L6 N35 H36 V102 I374 | F4-L321 HydrophobicContact CB-CD1 3.74Å; F4-L321 HydrophobicContact CB-CG 4.21Å; F4-L321 HydrophobicContact CD1-CD1 4.23Å; F4-L321 HydrophobicContact CD1-CD2 3.63Å; F4-L321 HydrophobicContact CD1-CG 3.83Å; F4-L321 HydrophobicContact CE1-CD2 3.92Å; F4-L321 HydrophobicContact CG-CD1 4.25Å; F4-L321 HydrophobicContact CG-CD2 4.33Å; F4-L321 HydrophobicContact CG-CG 4.36Å; L6-L321 HydrophobicContact CB-CD1 4.39Å; L6-L321 HydrophobicContact CD1-CD1 4.34Å; N35-L321 CarbonylContact C-O 3.52Å; N35-L321 VanDerWaalsContact CA-O 3.31Å; N35-L321 WeakPolarHBondContact CA-O 3.49Å; H36-L321 HydrophobicContact CB-CB 4.35Å; H36-L321 HydrophobicContact CB-CD2 4.46Å; H36-L321 PolarHBondContact N-O 2.5Å; H36-L321 PolarHBondContact O-N 3.16Å; V102-L321 HydrophobicContact CG1-CD1 3.79Å; V102-L321 HydrophobicContact CG1-CD2 3.67Å; V102-L321 HydrophobicContact CG1-CG 4.38Å; L321-I374 HydrophobicContact CD1-CD1 4.34Å |
| 322 | L | 85.4 | Confident | 77 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.2 | 174 | -59.4 | 105.1 | 0 | 0 | 0 | 110 | F4 W5 I7 L22 T26 N35 P324 L332 | F4-L322 CarbonylContact C-O 3.27Å; F4-L322 WeakPolarHBondContact CA-O 3.29Å; W5-L322 HydrophobicContact CB-CB 4.43Å; W5-L322 PolarHBondContact N-O 3.31Å; W5-L322 PolarHBondContact O-N 2.97Å; I7-L322 HydrophobicContact CB-CD1 3.86Å; I7-L322 HydrophobicContact CD1-CD1 3.39Å; I7-L322 HydrophobicContact CG1-CD1 3.61Å; L22-L322 HydrophobicContact CD2-CD2 4.12Å; T26-L322 HydrophobicContact CG2-CD2 4.27Å; N35-L322 VanDerWaalsContact OD1-CD2 3.23Å; N35-L322 WeakPolarHBondContact OD1-CD2 3.49Å; N35-L322 WeakPolarHBondContact OD1-CG 3.41Å; L322-P324 VanDerWaalsContact O-CD 3.3Å; L322-P324 WeakPolarHBondContact O-CD 3.29Å; L322-L332 HydrophobicContact CD2-CD1 4.39Å |
| 323 | Q | 85.3 | Confident | 78.3 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 98.5 | 168.1 | -167 | -178.5 | 17.5 | 0 | 0 | 107.9 | M1 F4 S33 T34 | M1-Q323 PolarHBondContact O-NE2 2.97Å; F4-Q323 HydrophobicContact CD1-CB 3.82Å; F4-Q323 HydrophobicContact CD1-CG 4Å; F4-Q323 HydrophobicContact CE1-CB 3.89Å; F4-Q323 HydrophobicContact CE1-CG 3.87Å; S33-Q323 WeakPolarHBondContact CA-O 3.27Å; S33-Q323 VanDerWaalsContact CB-O 3.3Å; S33-Q323 WeakPolarHBondContact CB-O 3.41Å; T34-Q323 PolarHBondContact N-O 2.95Å; T34-Q323 PolarHBondContact O-N 3.12Å |
| 324 | P | 83.1 | Confident | 79.5 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 144 | -177.2 | 29.4 | -37.4 | 0 | 0 | 0 | 112.1 | W5 L322 M329 L332 | W5-P324 HydrophobicContact CD2-CB 4.45Å; W5-P324 HydrophobicContact CD2-CG 4.02Å; W5-P324 HydrophobicContact CG-CG 4.33Å; W5-P324 HydrophobicContact CH2-CB 4.35Å; W5-P324 HydrophobicContact CZ2-CB 4.22Å; W5-P324 HydrophobicContact CZ2-CG 4.02Å; L322-P324 VanDerWaalsContact O-CD 3.3Å; L322-P324 WeakPolarHBondContact O-CD 3.29Å; P324-M329 HydrophobicContact CB-CE 4.14Å; P324-M329 HydrophobicContact CB-CG 3.85Å; P324-M329 HydrophobicContact CG-CE 3.58Å; P324-M329 HydrophobicContact CG-CG 4.27Å; P324-L332 HydrophobicContact CB-CD2 3.74Å |
| 325 | N | 81.3 | Confident | 80.5 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | trans | -73.7 | 127.9 | 166.8 | -79.4 | -32.3 | 0 | 0 | 0 | 110.1 | N31 L32 K327 N328 M329 | N31-N325 PolarHBondContact O-ND2 3.48Å; L32-N325 WeakPolarHBondContact O-CB 3.18Å; L32-N325 PolarHBondContact O-N 2.98Å; N325-K327 PolarHBondContact O-N 2.86Å; N325-N328 HydrophobicContact CB-CB 4.24Å; N325-N328 PolarHBondContact O-N 3.25Å; N325-M329 PolarHBondContact O-N 3.18Å | ||
| 326 | K | 74.6 | Confident | 81.2 | Confident | 169 Ų | 169 | 52.2 Ų | 52.2 | 74% | 0.735 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -37.2 | -176.5 | -101 | -172.1 | 175.2 | -175.6 | 0 | 114.8 | M1 | M1-K326 HydrophobicContact SD-CB 4.42Å; M1-K326 HydrophobicContact SD-CG 4.43Å |
| 327 | K | 76.3 | Confident | 81.6 | Confident | 202 Ų | 202 | 55.1 Ų | 55.1 | 88% | 0.878 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -19 | -178.5 | -64.2 | -175.4 | 178.9 | -178.2 | 0 | 113.8 | N325 | N325-K327 PolarHBondContact O-N 2.86Š|
| 328 | N | 77.9 | Confident | 81.8 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 8.1 | -166.6 | -68.2 | -12.8 | 0 | 0 | 0 | 113.4 | L32 N325 K330 K331 L332 | L32-N328 HydrophobicContact CD2-CB 3.8Å; N325-N328 HydrophobicContact CB-CB 4.24Å; N325-N328 PolarHBondContact O-N 3.25Å; N328-K330 VanDerWaalsContact C-N 3.34Å; N328-K330 PolarHBondContact O-N 2.83Å; N328-K331 PolarHBondContact O-N 3.36Å; N328-L332 WeakPolarHBondContact O-CB 3.5Å; N328-L332 PolarHBondContact O-N 3.42Å |
| 329 | M | 78.9 | Confident | 81.8 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.3 | -44.1 | -178.4 | -77.9 | 175.9 | 166.8 | 0 | 0 | 113.1 | E3 W5 P324 N325 L332 R333 | E3-M329 HydrophobicContact CG-CE 4.43Å; E3-M329 VanDerWaalsContact OE2-CE 3.26Å; E3-M329 WeakPolarHBondContact OE2-CE 3.2Å; W5-M329 HydrophobicContact CH2-CB 3.97Å; W5-M329 HydrophobicContact CH2-CG 4.05Å; W5-M329 HydrophobicContact CZ2-CB 4.15Å; W5-M329 HydrophobicContact CZ2-CE 4.39Å; W5-M329 HydrophobicContact CZ2-CG 3.84Å; W5-M329 HydrophobicContact CZ2-SD 4.26Å; P324-M329 HydrophobicContact CB-CE 4.14Å; P324-M329 HydrophobicContact CB-CG 3.85Å; P324-M329 HydrophobicContact CG-CE 3.58Å; P324-M329 HydrophobicContact CG-CG 4.27Å; N325-M329 PolarHBondContact O-N 3.18Å; M329-L332 PolarHBondContact O-N 3Å; M329-R333 WeakPolarHBondContact O-CG 3.38Å; M329-R333 PolarHBondContact O-N 3.15Å |
| 330 | K | 81.9 | Confident | 81.5 | Confident | 159 Ų | 159 | 60.1 Ų | 60.1 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 179.4 | -172.1 | 178.3 | 176.4 | -178.1 | 0 | 111.9 | N328 L332 R333 E334 | N328-K330 VanDerWaalsContact C-N 3.34Å; N328-K330 PolarHBondContact O-N 2.83Å; K330-L332 VanDerWaalsContact C-N 3.31Å; K330-L332 PolarHBondContact O-N 3.44Å; K330-R333 PolarHBondContact O-N 3.31Å; K330-E334 WeakPolarHBondContact CE-OE1 3.34Å; K330-E334 WeakPolarHBondContact O-CG 3.3Å; K330-E334 PolarHBondContact O-N 3.21Å |
| 331 | K | 81.9 | Confident | 81.2 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 177.2 | -171.1 | 174.6 | 177 | -171.7 | 0 | 112 | N30 L32 N328 E334 V335 | N30-K331 PolarHBondContact OD1-NZ 3.37Å; L32-K331 HydrophobicContact CD1-CG 4.27Å; L32-K331 HydrophobicContact CD2-CB 4.31Å; L32-K331 HydrophobicContact CD2-CD 3.86Å; L32-K331 HydrophobicContact CD2-CG 4.09Å; N328-K331 PolarHBondContact O-N 3.36Å; K331-E334 PolarHBondContact O-N 2.89Å; K331-V335 VanDerWaalsContact O-CG2 3.31Å; K331-V335 WeakPolarHBondContact O-CG2 3.38Å; K331-V335 PolarHBondContact O-N 3.38Å |
| 332 | L | 82.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.6 | -177.7 | 62.5 | 0 | 0 | 0 | 111.5 | W5 T26 L32 L322 P324 N328 M329 K330 V335 L336 | W5-L332 HydrophobicContact CE3-CD2 3.87Å; W5-L332 HydrophobicContact CE3-CG 4.48Å; W5-L332 HydrophobicContact CH2-CD2 4.34Å; W5-L332 HydrophobicContact CZ3-CB 4.29Å; W5-L332 HydrophobicContact CZ3-CD2 3.58Å; W5-L332 HydrophobicContact CZ3-CG 3.93Å; T26-L332 HydrophobicContact CG2-CD1 3.57Å; L32-L332 HydrophobicContact CB-CB 4.26Å; L32-L332 HydrophobicContact CB-CD1 3.91Å; L32-L332 HydrophobicContact CD1-CD1 4.37Å; L322-L332 HydrophobicContact CD2-CD1 4.39Å; P324-L332 HydrophobicContact CB-CD2 3.74Å; N328-L332 WeakPolarHBondContact O-CB 3.5Å; N328-L332 PolarHBondContact O-N 3.42Å; M329-L332 PolarHBondContact O-N 3Å; K330-L332 VanDerWaalsContact C-N 3.31Å; K330-L332 PolarHBondContact O-N 3.44Å; L332-V335 PolarHBondContact O-N 3.26Å; L332-L336 HydrophobicContact CD1-CD1 4.27Å; L332-L336 HydrophobicContact CD1-CG 4.33Å; L332-L336 HydrophobicContact CG-CD1 4.01Å; L332-L336 HydrophobicContact CG-CG 4.49Å; L332-L336 WeakPolarHBondContact O-CB 3.49Å; L332-L336 VanDerWaalsContact O-CG 3.25Å; L332-L336 WeakPolarHBondContact O-CG 3.47Å; L332-L336 PolarHBondContact O-N 3.25Å |
| 333 | R | 81.8 | Confident | 79.8 | Confident | 55 Ų | 55 | 70 Ų | 70 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 175.8 | -70 | -171.7 | -173.2 | -72.8 | 5.6 | 112.1 | W5 M329 K330 L336 Y337 E365 Y367 Y371 | W5-R333 HydrophobicContact CH2-CG 3.67Å; W5-R333 HydrophobicContact CZ3-CG 3.77Å; M329-R333 WeakPolarHBondContact O-CG 3.38Å; M329-R333 PolarHBondContact O-N 3.15Å; K330-R333 PolarHBondContact O-N 3.31Å; R333-L336 PolarHBondContact O-N 3.46Å; R333-Y337 WeakPolarHBondContact O-CB 3.31Å; R333-Y337 PolarHBondContact O-N 3.43Å; R333-E365 IonicContact NH2-OE2 3.74Å; R333-Y367 VanDerWaalsContact CZ-OH 3.26Å; R333-Y367 PolarHBondContact NH1-OH 3.4Å; R333-Y371 PolarHBondContact NH2-OH 3.43Å; R333-Y371 VanDerWaalsContact NH2-OH 3.1Å |
| 334 | E | 82.8 | Confident | 78.8 | Confident | 99 Ų | 99 | 71 Ų | 71 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 176.4 | -71.1 | 166.3 | -171.8 | 0 | 0 | 111.4 | K330 K331 L336 Y337 D338 | K330-E334 WeakPolarHBondContact CE-OE1 3.34Å; K330-E334 WeakPolarHBondContact O-CG 3.3Å; K330-E334 PolarHBondContact O-N 3.21Å; K331-E334 PolarHBondContact O-N 2.89Å; E334-L336 PolarHBondContact O-N 2.84Å; E334-Y337 PolarHBondContact O-N 3.37Å; E334-D338 PolarHBondContact O-N 3.49Å |
| 335 | V | 82.8 | Confident | 77.3 | Confident | 30 Ų | 30 | 75 Ų | 75 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | A25 T26 L32 K331 L332 L339 | A25-V335 HydrophobicContact CB-CG1 3.84Å; T26-V335 HydrophobicContact CG2-CG1 4.44Å; L32-V335 HydrophobicContact CD1-CB 4.46Å; L32-V335 HydrophobicContact CD1-CG2 3.95Å; K331-V335 VanDerWaalsContact O-CG2 3.31Å; K331-V335 WeakPolarHBondContact O-CG2 3.38Å; K331-V335 PolarHBondContact O-N 3.38Å; L332-V335 PolarHBondContact O-N 3.26Å; V335-L339 WeakPolarHBondContact O-CB 3.26Å; V335-L339 PolarHBondContact O-N 2.96Å; V335-L339 VanDerWaalsContact O-N 3.11Å |
| 336 | L | 80.9 | Confident | 75.7 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 177.7 | -70.7 | 170.3 | 0 | 0 | 0 | 111.9 | I7 L22 T26 L332 R333 E334 L339 Y340 Y369 | I7-L336 HydrophobicContact CD1-CD1 3.54Å; I7-L336 HydrophobicContact CD1-CD2 4.34Å; L22-L336 HydrophobicContact CD1-CD2 3.56Å; T26-L336 HydrophobicContact CG2-CD2 4.23Å; L332-L336 HydrophobicContact CD1-CD1 4.27Å; L332-L336 HydrophobicContact CD1-CG 4.33Å; L332-L336 HydrophobicContact CG-CD1 4.01Å; L332-L336 HydrophobicContact CG-CG 4.49Å; L332-L336 WeakPolarHBondContact O-CB 3.49Å; L332-L336 VanDerWaalsContact O-CG 3.25Å; L332-L336 WeakPolarHBondContact O-CG 3.47Å; L332-L336 PolarHBondContact O-N 3.25Å; R333-L336 PolarHBondContact O-N 3.46Å; E334-L336 PolarHBondContact O-N 2.84Å; L336-L339 PolarHBondContact O-N 3.33Å; L336-Y340 HydrophobicContact CD2-CE2 4.16Å; L336-Y340 WeakPolarHBondContact O-CD2 3.49Å; L336-Y340 PolarHBondContact O-N 2.79Å; L336-Y340 VanDerWaalsContact O-N 3.15Å; L336-Y369 HydrophobicContact CB-CE1 3.76Å; L336-Y369 WeakPolarHBondContact CB-OH 3.21Å |
| 337 | Y | 82.3 | Confident | 74.3 | Confident | 120 Ų | 120 | 69.9 Ų | 69.9 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 175.7 | -178.1 | -97.1 | 0 | 0 | 0 | 111 | R333 E334 L339 Y340 K341 P368 | R333-Y337 WeakPolarHBondContact O-CB 3.31Å; R333-Y337 PolarHBondContact O-N 3.43Å; E334-Y337 PolarHBondContact O-N 3.37Å; Y337-L339 VanDerWaalsContact C-N 3.29Å; Y337-L339 PolarHBondContact O-N 3.44Å; Y337-Y340 PolarHBondContact O-N 3.25Å; Y337-K341 HydrophobicContact CE1-CB 4.26Å; Y337-K341 HydrophobicContact CE1-CD 4.41Å; Y337-K341 VanDerWaalsContact O-CB 3.26Å; Y337-K341 WeakPolarHBondContact O-CB 3.43Å; Y337-K341 PolarHBondContact O-N 2.95Å; Y337-P368 HydrophobicContact CD2-CG 3.94Å; Y337-P368 HydrophobicContact CE2-CG 4.29Å |
| 338 | D | 81.9 | Confident | 72.4 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 178.5 | -86.2 | -34.7 | 0 | 0 | 0 | 113.5 | E334 K341 | E334-D338 PolarHBondContact O-N 3.49Å; D338-K341 IonicContact OD1-NZ 2.79Å; D338-K341 PolarHBondContact OD1-NZ 3.42Å |
| 339 | L | 80 | Confident | 70.5 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 178.1 | -159.4 | 79.4 | 0 | 0 | 0 | 111.7 | L22 A25 V335 L336 Y337 H342 | L22-L339 HydrophobicContact CD1-CD2 4.35Å; A25-L339 HydrophobicContact CB-CD1 4.32Å; V335-L339 WeakPolarHBondContact O-CB 3.26Å; V335-L339 PolarHBondContact O-N 2.96Å; V335-L339 VanDerWaalsContact O-N 3.11Å; L336-L339 PolarHBondContact O-N 3.33Å; Y337-L339 VanDerWaalsContact C-N 3.29Å; Y337-L339 PolarHBondContact O-N 3.44Å; L339-H342 PolarHBondContact O-CE1 3.03Å; L339-H342 PolarHBondContact O-ND1 2.94Å |
| 340 | Y | 79.3 | Confident | 68.7 | Low | 9 Ų | 9 | 71.1 Ų | 71.1 | 4% | 0.035 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -113.7 | -3.1 | -167.4 | -65.4 | -55.2 | 0 | 0 | 0 | 115.4 | A9 L22 L336 Y337 H342 L343 Y369 | A9-Y340 HydrophobicContact CB-CD1 4.4Å; A9-Y340 HydrophobicContact CB-CE1 3.54Å; A9-Y340 HydrophobicContact CB-CE2 4.35Å; A9-Y340 VanDerWaalsContact CB-CZ 3.49Å; A9-Y340 WeakPolarHBondContact CB-OH 3.28Å; L22-Y340 HydrophobicContact CD1-CE2 3.91Å; L22-Y340 WeakPolarHBondContact CD1-OH 3.29Å; L336-Y340 HydrophobicContact CD2-CE2 4.16Å; L336-Y340 WeakPolarHBondContact O-CD2 3.49Å; L336-Y340 PolarHBondContact O-N 2.79Å; L336-Y340 VanDerWaalsContact O-N 3.15Å; Y337-Y340 PolarHBondContact O-N 3.25Å; Y340-H342 PolarHBondContact O-N 2.8Å; Y340-L343 HydrophobicContact CD1-CD1 3.81Å; Y340-L343 HydrophobicContact CG-CD1 4.29Å; Y340-L343 VanDerWaalsContact O-CB 3.28Å; Y340-L343 WeakPolarHBondContact O-CB 3.32Å; Y340-L343 WeakPolarHBondContact O-CG 3.46Å; Y340-L343 PolarHBondContact O-N 3.24Å; Y340-Y369 AromaticContact CD2-CD1 3.63Å; Y340-Y369 HydrophobicContact CD2-CD1 3.63Å; Y340-Y369 HydrophobicContact CD2-CE1 4.23Å; Y340-Y369 HydrophobicContact CD2-CG 4.17Å; Y340-Y369 HydrophobicContact CG-CD1 4.1Å |
| 341 | K | 78.7 | Confident | 66.6 | Low | 97 Ų | 97 | 70.5 Ų | 70.5 | 42% | 0.422 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -54.2 | -26.9 | 177.6 | 63.3 | -174.3 | 174.2 | -163.5 | 0 | 114.5 | Y337 D338 L343 D344 | Y337-K341 HydrophobicContact CE1-CB 4.26Å; Y337-K341 HydrophobicContact CE1-CD 4.41Å; Y337-K341 VanDerWaalsContact O-CB 3.26Å; Y337-K341 WeakPolarHBondContact O-CB 3.43Å; Y337-K341 PolarHBondContact O-N 2.95Å; D338-K341 IonicContact OD1-NZ 2.79Å; D338-K341 PolarHBondContact OD1-NZ 3.42Å; K341-L343 PolarHBondContact O-N 2.85Å; K341-D344 VanDerWaalsContact O-CB 3.23Å; K341-D344 WeakPolarHBondContact O-CB 3.16Å; K341-D344 PolarHBondContact O-N 3.15Å |
| 342 | H | 74.4 | Confident | 64.2 | Low | 88 Ų | 88 | 70.1 Ų | 70.1 | 41% | 0.407 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -64.5 | -22.1 | 177.1 | 68.8 | -87.3 | 0 | 0 | 0 | 113.2 | L339 Y340 D344 S345 | L339-H342 PolarHBondContact O-CE1 3.03Å; L339-H342 PolarHBondContact O-ND1 2.94Å; Y340-H342 PolarHBondContact O-N 2.8Å; H342-D344 PolarHBondContact O-N 3.08Å; H342-S345 PolarHBondContact O-OG 2.95Å |
| 343 | L | 68.5 | Low | 61.9 | Low | 24 Ų | 24 | 74.8 Ų | 74.8 | 13% | 0.126 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -74.2 | -14.6 | 175.2 | -58.7 | 174.5 | 0 | 0 | 0 | 112.6 | P10 R310 Y340 K341 | P10-L343 HydrophobicContact CG-CD1 3.89Å; P10-L343 HydrophobicContact CG-CD2 3.66Å; P10-L343 HydrophobicContact CG-CG 4.44Å; R310-L343 PolarHBondContact NH1-O 2.98Å; Y340-L343 HydrophobicContact CD1-CD1 3.81Å; Y340-L343 HydrophobicContact CG-CD1 4.29Å; Y340-L343 VanDerWaalsContact O-CB 3.28Å; Y340-L343 WeakPolarHBondContact O-CB 3.32Å; Y340-L343 WeakPolarHBondContact O-CG 3.46Å; Y340-L343 PolarHBondContact O-N 3.24Å; K341-L343 PolarHBondContact O-N 2.85Å |
| 344 | D | 64.3 | Low | 59.7 | Low | 51 Ų | 51 | 79.2 Ų | 79.2 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -32.6 | 179.7 | -150.6 | 23.9 | 0 | 0 | 0 | 112 | R310 K341 H342 S346 A347 A348 Y366 P368 | R310-D344 IonicContact NH1-OD1 3.59Å; K341-D344 VanDerWaalsContact O-CB 3.23Å; K341-D344 WeakPolarHBondContact O-CB 3.16Å; K341-D344 PolarHBondContact O-N 3.15Å; H342-D344 PolarHBondContact O-N 3.08Å; D344-S346 PolarHBondContact O-N 2.96Å; D344-S346 VanDerWaalsContact O-N 3.09Å; D344-A347 PolarHBondContact O-N 2.67Å; D344-A348 PolarHBondContact O-N 3.48Å; D344-Y366 PolarHBondContact OD1-OH 3.26Å; D344-P368 HydrophobicContact CB-CB 4.27Å |
| 345 | S | 51.5 | Low | 57.3 | Low | 88 Ų | 88 | 82.8 Ų | 82.8 | 62% | 0.615 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17 | 176.9 | 11.1 | 0 | 0 | 0 | 0 | 114.6 | H342 | H342-S345 PolarHBondContact O-OG 2.95Š|
| 346 | S | 46.8 | Very low | 55.2 | Low | 88 Ų | 88 | 86.6 Ų | 86.6 | 62% | 0.615 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -10.8 | 174.6 | -52.8 | 0 | 0 | 0 | 0 | 113.6 | D344 | D344-S346 PolarHBondContact O-N 2.96Å; D344-S346 VanDerWaalsContact O-N 3.09Å |
| 347 | A | 44.5 | Very low | 52.6 | Low | 14 Ų | 14 | 92.9 Ų | 92.9 | 12% | 0.116 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -20.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R310 D344 V349 I350 D351 | R310-A347 VanDerWaalsContact NH2-CB 3.29Å; D344-A347 PolarHBondContact O-N 2.67Å; A347-V349 PolarHBondContact O-N 3.48Å; A347-I350 PolarHBondContact O-N 3.42Å; A347-I350 VanDerWaalsContact O-N 3.09Å; A347-D351 PolarHBondContact O-N 2.98Å |
| 348 | A | 38.1 | Very low | 50.6 | Low | 68 Ų | 68 | 91 Ų | 91 | 56% | 0.562 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -8.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D344 | D344-A348 PolarHBondContact O-N 3.48Š|
| 349 | V | 38.2 | Very low | 48.4 | Very low | 117 Ų | 117 | 93 Ų | 93 | 71% | 0.709 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -17.8 | 175.1 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | A347 | A347-V349 PolarHBondContact O-N 3.48Š|
| 350 | I | 40.6 | Very low | 46.1 | Very low | 143 Ų | 143 | 97.1 Ų | 97.1 | 73% | 0.733 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -22.7 | 178.7 | -49.6 | 179.1 | 0 | 0 | 0 | 111.6 | A347 A352 | A347-I350 PolarHBondContact O-N 3.42Å; A347-I350 VanDerWaalsContact O-N 3.09Å; I350-A352 VanDerWaalsContact C-N 3.29Å; I350-A352 PolarHBondContact O-N 3.35Å |
| 351 | D | 36.5 | Very low | 44.3 | Very low | 146 Ų | 146 | 103.4 Ų | 103.4 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -8.9 | 176.7 | -157.1 | 32.7 | 0 | 0 | 0 | 113.4 | A347 S353 | A347-D351 PolarHBondContact O-N 2.98Å; D351-S353 VanDerWaalsContact C-N 3.28Å; D351-S353 PolarHBondContact O-N 3.09Å |
| 352 | A | 32.2 | Very low | 42.3 | Very low | 87 Ų | 87 | 103.1 Ų | 103.1 | 72% | 0.719 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 7.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I350 | I350-A352 VanDerWaalsContact C-N 3.29Å; I350-A352 PolarHBondContact O-N 3.35Å |
| 353 | S | 35.1 | Very low | 40.4 | Very low | 99 Ų | 99 | 107.4 Ų | 107.4 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -144.2 | 10.1 | -174.4 | 70.1 | 0 | 0 | 0 | 0 | 119.9 | D351 | D351-S353 VanDerWaalsContact C-N 3.28Å; D351-S353 PolarHBondContact O-N 3.09Å |
| 354 | M | 34.6 | Very low | 39.4 | Very low | 147 Ų | 147 | 114.4 Ų | 114.4 | 72% | 0.724 | 68% | 0.676 | S | S | * | * | trans | -147.8 | 77.8 | 171.2 | -69.6 | -166.2 | 100 | 0 | 0 | 113.8 | I356 | M354-I356 HydrophobicContact CB-CD1 4.49Å; M354-I356 HydrophobicContact CB-CG1 4.27Å; M354-I356 HydrophobicContact CE-CD1 3.92Å; M354-I356 HydrophobicContact CE-CG1 4.37Å; M354-I356 PolarHBondContact O-N 3.41Å; M354-I356 VanDerWaalsContact O-N 3.08Å; M354-I356 HydrophobicContact SD-CD1 4.45Å | ||
| 355 | D | 32.7 | Very low | 38.8 | Very low | 174 Ų | 174 | 118 Ų | 118 | 93% | 0.93 | 69% | 0.691 | S | S | * | * | trans | -70.1 | 92.2 | 155.8 | -106.1 | -27.9 | 0 | 0 | 0 | 108.6 | P357 | D355-P357 WeakPolarHBondContact O-CD 2.86Š| ||
| 356 | I | 38.3 | Very low | 39.4 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 57% | 0.569 | 69% | 0.687 | S | S | * | * | trans | -95.9 | 113.2 | 169.8 | -57.1 | 173.8 | 0 | 0 | 0 | 107.8 | M354 G358 | M354-I356 HydrophobicContact CB-CD1 4.49Å; M354-I356 HydrophobicContact CB-CG1 4.27Å; M354-I356 HydrophobicContact CE-CD1 3.92Å; M354-I356 HydrophobicContact CE-CG1 4.37Å; M354-I356 PolarHBondContact O-N 3.41Å; M354-I356 VanDerWaalsContact O-N 3.08Å; M354-I356 HydrophobicContact SD-CD1 4.45Å; I356-G358 PolarHBondContact O-N 3.23Å; I356-G358 VanDerWaalsContact O-N 3.16Å | ||
| 357 | P | 27.2 | Very low | 40.6 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 86% | 0.857 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 117.8 | 178.2 | -19.2 | 31.1 | 0 | 0 | 0 | 110.9 | D355 | D355-P357 WeakPolarHBondContact O-CD 2.86Š|
| 358 | G | 38.9 | Very low | 41.7 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.4 | -12.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I356 | I356-G358 PolarHBondContact O-N 3.23Å; I356-G358 VanDerWaalsContact O-N 3.16Å |
| 359 | L | 35.2 | Very low | 43.4 | Very low | 138 Ų | 138 | 115 Ų | 115 | 72% | 0.723 | 64% | 0.637 | S | S | * | * | trans | -99 | 91.9 | 177.5 | -130.5 | 73.8 | 0 | 0 | 0 | 110.3 | L361 | L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 HydrophobicContact CB-CD1 4.17Å; L359-L361 HydrophobicContact CD2-CD1 3.56Å; L359-L361 HydrophobicContact CG-CD1 3.82Å; L359-L361 PolarHBondContact O-N 3.1Å | ||
| 360 | N | 32.7 | Very low | 45.4 | Very low | 138 Ų | 138 | 109.7 Ų | 109.7 | 74% | 0.738 | 61% | 0.605 | S | S | * | * | trans | -72.2 | 83.6 | 172.2 | -107.8 | -18.4 | 0 | 0 | 0 | 110 | S362 | N360-S362 PolarHBondContact O-N 3.47Å; N360-S362 PolarHBondContact OD1-OG 3.18Å | ||
| 361 | L | 42.1 | Very low | 47.4 | Very low | 141 Ų | 141 | 104.5 Ų | 104.5 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | trans | -76.7 | 5.2 | 171.6 | -106.2 | 77.5 | 0 | 0 | 0 | 113.6 | L359 Q363 | L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 HydrophobicContact CB-CD1 4.17Å; L359-L361 HydrophobicContact CD2-CD1 3.56Å; L359-L361 HydrophobicContact CG-CD1 3.82Å; L359-L361 PolarHBondContact O-N 3.1Å; L361-Q363 PolarHBondContact O-N 3.42Å | ||
| 362 | S | 35.8 | Very low | 49.7 | Very low | 92 Ų | 92 | 98.4 Ų | 98.4 | 64% | 0.643 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 8.5 | -165.4 | 52.2 | 0 | 0 | 0 | 0 | 116.1 | N360 | N360-S362 PolarHBondContact O-N 3.47Å; N360-S362 PolarHBondContact OD1-OG 3.18Å |
| 363 | Q | 35.7 | Very low | 52.3 | Low | 177 Ų | 177 | 98.9 Ų | 98.9 | 83% | 0.827 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 1.4 | -176.4 | -68.9 | -169.1 | -1.6 | 0 | 0 | 115.9 | L361 | L361-Q363 PolarHBondContact O-N 3.42Š|
| 364 | Q | 47.3 | Very low | 54.7 | Low | 171 Ų | 171 | 94.1 Ų | 94.1 | 80% | 0.799 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -101.5 | 137.7 | 173.6 | -70.7 | -174.7 | 0.6 | 0 | 0 | 110.5 | Y366 | Q364-Y366 VanDerWaalsContact C-N 3.35Å; Q364-Y366 PolarHBondContact O-N 3.34Å |
| 365 | E | 51.8 | Low | 57 | Low | 126 Ų | 126 | 89.6 Ų | 89.6 | 59% | 0.589 | 47% | 0.474 | S | S | * | . | trans | -59.7 | 97.2 | 172.2 | -67.6 | -176.5 | 147.4 | 0 | 0 | 108.7 | R333 Y367 | R333-E365 IonicContact NH2-OE2 3.74Å; E365-Y367 HydrophobicContact CB-CD2 4.29Å; E365-Y367 HydrophobicContact CB-CE2 3.49Å; E365-Y367 VanDerWaalsContact CB-CE2 3.49Å; E365-Y367 HydrophobicContact CG-CE2 4.49Å; E365-Y367 WeakPolarHBondContact O-CD2 3.2Å; E365-Y367 PolarHBondContact O-N 3.07Å; E365-Y367 PolarHBondContact OE2-OH 2.62Å | ||
| 366 | Y | 63.4 | Low | 59.2 | Low | 139 Ų | 139 | 81.7 Ų | 81.7 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | trans | -74.6 | 124.6 | 178.6 | 178.9 | -98.8 | 0 | 0 | 0 | 109.8 | R310 D344 Q364 | R310-Y366 PolarHBondContact NH1-OH 2.76Å; R310-Y366 PolarHBondContact NH2-OH 3.44Å; D344-Y366 PolarHBondContact OD1-OH 3.26Å; Q364-Y366 VanDerWaalsContact C-N 3.35Å; Q364-Y366 PolarHBondContact O-N 3.34Å | ||
| 367 | Y | 71.5 | Confident | 61 | Low | 42 Ų | 42 | 79.3 Ų | 79.3 | 17% | 0.165 | 42% | 0.421 | C | S | . | . | trans | -122.5 | 147.8 | 173.8 | -65.1 | -68 | 0 | 0 | 0 | 109.7 | R333 E365 Y369 Y371 | R333-Y367 VanDerWaalsContact CZ-OH 3.26Å; R333-Y367 PolarHBondContact NH1-OH 3.4Å; E365-Y367 HydrophobicContact CB-CD2 4.29Å; E365-Y367 HydrophobicContact CB-CE2 3.49Å; E365-Y367 VanDerWaalsContact CB-CE2 3.49Å; E365-Y367 HydrophobicContact CG-CE2 4.49Å; E365-Y367 WeakPolarHBondContact O-CD2 3.2Å; E365-Y367 PolarHBondContact O-N 3.07Å; E365-Y367 PolarHBondContact OE2-OH 2.62Å; Y367-Y369 HydrophobicContact CG-CE2 4.15Å; Y367-Y369 PolarHBondContact O-N 2.81Å; Y367-Y371 AromaticContact CD2-CD1 3.57Å; Y367-Y371 HydrophobicContact CD2-CD1 3.57Å; Y367-Y371 HydrophobicContact CD2-CE1 4.24Å; Y367-Y371 AromaticContact CD2-CG 3.7Å; Y367-Y371 HydrophobicContact CD2-CG 3.7Å; Y367-Y371 AromaticContact CE2-CD1 3.54Å; Y367-Y371 HydrophobicContact CE2-CD1 3.54Å; Y367-Y371 AromaticContact CE2-CE1 3.72Å; Y367-Y371 HydrophobicContact CE2-CE1 3.72Å; Y367-Y371 AromaticContact CE2-CG 3.98Å; Y367-Y371 HydrophobicContact CE2-CG 3.98Å | ||
| 368 | P | 67.3 | Low | 63.1 | Low | 6 Ų | 6 | 73.7 Ų | 73.7 | 4% | 0.039 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -70.8 | 5.4 | 178.7 | 30.1 | -35 | 0 | 0 | 0 | 113.4 | Y337 D344 | Y337-P368 HydrophobicContact CD2-CG 3.94Å; Y337-P368 HydrophobicContact CE2-CG 4.29Å; D344-P368 HydrophobicContact CB-CB 4.27Å |
| 369 | Y | 74.1 | Confident | 64.3 | Low | 9 Ų | 9 | 70.3 Ų | 70.3 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -136.5 | 156.9 | 178.2 | 50 | -96.7 | 0 | 0 | 0 | 109.4 | I7 L336 Y340 Y367 Y371 | I7-Y369 HydrophobicContact CD1-CD2 4.12Å; I7-Y369 HydrophobicContact CD1-CE2 3.6Å; I7-Y369 HydrophobicContact CG1-CD2 4.3Å; I7-Y369 HydrophobicContact CG1-CE2 4.13Å; I7-Y369 HydrophobicContact CG2-CD2 3.57Å; I7-Y369 HydrophobicContact CG2-CE2 4.15Å; I7-Y369 HydrophobicContact CG2-CG 4.11Å; L336-Y369 HydrophobicContact CB-CE1 3.76Å; L336-Y369 WeakPolarHBondContact CB-OH 3.21Å; Y340-Y369 AromaticContact CD2-CD1 3.63Å; Y340-Y369 HydrophobicContact CD2-CD1 3.63Å; Y340-Y369 HydrophobicContact CD2-CE1 4.23Å; Y340-Y369 HydrophobicContact CD2-CG 4.17Å; Y340-Y369 HydrophobicContact CG-CD1 4.1Å; Y367-Y369 HydrophobicContact CG-CE2 4.15Å; Y367-Y369 PolarHBondContact O-N 2.81Å; Y369-Y371 HydrophobicContact CE2-CD2 4.37Å; Y369-Y371 PolarHBondContact O-N 3.35Å |
| 370 | V | 79.8 | Confident | 65.1 | Low | 6 Ų | 6 | 70.3 Ų | 70.3 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 125.7 | 175 | 173.2 | 0 | 0 | 0 | 0 | 108.8 | I7 S8 V302 E305 Y372 | I7-V370 VanDerWaalsContact CA-O 3.29Å; I7-V370 WeakPolarHBondContact CA-O 3.36Å; S8-V370 PolarHBondContact N-O 3.25Å; S8-V370 VanDerWaalsContact N-O 3.11Å; V302-V370 HydrophobicContact CG1-CG1 4.46Å; V302-V370 HydrophobicContact CG2-CG1 4.5Å; E305-V370 HydrophobicContact CB-CG1 4.07Å; E305-V370 HydrophobicContact CB-CG2 4.03Å; E305-V370 WeakPolarHBondContact OE2-CG1 3.43Å; V370-Y372 HydrophobicContact CG1-CD2 4.02Å; V370-Y372 HydrophobicContact CG1-CE2 3.85Å |
| 371 | Y | 83.5 | Confident | 65.7 | Low | 33 Ų | 33 | 67.4 Ų | 67.4 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 129.5 | -174.9 | 167.1 | -99 | 0 | 0 | 0 | 111.5 | W5 I7 R333 Y367 Y369 | W5-Y371 HydrophobicContact CB-CD2 4.46Å; W5-Y371 HydrophobicContact CB-CE2 3.93Å; W5-Y371 AromaticContact CD2-CE2 3.98Å; W5-Y371 HydrophobicContact CD2-CE2 3.98Å; W5-Y371 HydrophobicContact CE3-CE2 4.41Å; W5-Y371 AromaticContact CG-CE2 3.74Å; W5-Y371 HydrophobicContact CG-CE2 3.74Å; I7-Y371 HydrophobicContact CG1-CD2 4.28Å; R333-Y371 PolarHBondContact NH2-OH 3.43Å; R333-Y371 VanDerWaalsContact NH2-OH 3.1Å; Y367-Y371 AromaticContact CD2-CD1 3.57Å; Y367-Y371 HydrophobicContact CD2-CD1 3.57Å; Y367-Y371 HydrophobicContact CD2-CE1 4.24Å; Y367-Y371 AromaticContact CD2-CG 3.7Å; Y367-Y371 HydrophobicContact CD2-CG 3.7Å; Y367-Y371 AromaticContact CE2-CD1 3.54Å; Y367-Y371 HydrophobicContact CE2-CD1 3.54Å; Y367-Y371 AromaticContact CE2-CE1 3.72Å; Y367-Y371 HydrophobicContact CE2-CE1 3.72Å; Y367-Y371 AromaticContact CE2-CG 3.98Å; Y367-Y371 HydrophobicContact CE2-CG 3.98Å; Y369-Y371 HydrophobicContact CE2-CD2 4.37Å; Y369-Y371 PolarHBondContact O-N 3.35Å |
| 372 | Y | 84.5 | Confident | 65.3 | Low | 19 Ų | 19 | 70.3 Ų | 70.3 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.5 | 173.6 | -75.6 | -70 | 0 | 0 | 0 | 111.3 | L6 R301 V302 E305 V370 | L6-Y372 PolarHBondContact N-O 2.91Å; L6-Y372 PolarHBondContact O-N 2.73Å; R301-Y372 HydrophobicContact CB-CE1 4.48Å; R301-Y372 HydrophobicContact CB-CE2 4.02Å; R301-Y372 PolarHBondContact NE-OH 3.42Å; R301-Y372 PolarHBondContact NH2-OH 3.34Å; V302-Y372 HydrophobicContact CG2-CD2 3.47Å; V302-Y372 VanDerWaalsContact CG2-CD2 3.47Å; V302-Y372 HydrophobicContact CG2-CE2 3.96Å; V302-Y372 HydrophobicContact CG2-CG 4.44Å; E305-Y372 PolarHBondContact OE1-OH 2.94Å; E305-Y372 WeakPolarHBondContact OE2-CE2 3.45Å; E305-Y372 VanDerWaalsContact OE2-CZ 3.31Å; E305-Y372 PolarHBondContact OE2-OH 2.96Å; V370-Y372 HydrophobicContact CG1-CD2 4.02Å; V370-Y372 HydrophobicContact CG1-CE2 3.85Å |
| 373 | K | 86.3 | Confident | 65 | Low | 96 Ų | 96 | 75.7 Ų | 75.7 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 135.1 | 172 | -180 | 171.3 | 167 | 153.8 | 0 | 110.4 | E3 | E3-K373 VanDerWaalsContact CD-CE 3.41Å; E3-K373 HydrophobicContact CG-CD 4.43Å; E3-K373 HydrophobicContact CG-CG 4.34Å; E3-K373 WeakPolarHBondContact OE1-CD 3.25Å; E3-K373 WeakPolarHBondContact OE1-CE 3.23Å; E3-K373 IonicContact OE1-NZ 3.07Å; E3-K373 PolarHBondContact OE1-NZ 3.09Å; E3-K373 IonicContact OE2-NZ 2.95Å; E3-K373 PolarHBondContact OE2-NZ 3.13Å |
| 374 | I | 85.6 | Confident | 66.5 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.6 | 170.8 | -48.9 | -173.7 | 0 | 0 | 0 | 107.2 | F4 L6 V102 W294 I295 K298 L321 | F4-I374 HydrophobicContact CB-CB 4.27Å; F4-I374 PolarHBondContact N-O 3.43Å; F4-I374 PolarHBondContact O-N 3.41Å; L6-I374 HydrophobicContact CB-CD1 4.23Å; L6-I374 HydrophobicContact CD2-CD1 4.18Å; V102-I374 HydrophobicContact CG1-CD1 4.43Å; W294-I374 HydrophobicContact CH2-CG2 4.21Å; W294-I374 HydrophobicContact CZ3-CG2 4.24Å; I295-I374 HydrophobicContact CD1-CD1 4.3Å; I295-I374 HydrophobicContact CD1-CG2 4.18Å; K298-I374 HydrophobicContact CD-CD1 3.68Å; K298-I374 HydrophobicContact CD-CG1 3.54Å; L321-I374 HydrophobicContact CD1-CD1 4.34Å |
| 375 | D | 82.9 | Confident | 67.5 | Low | 51 Ų | 51 | 65.4 Ų | 65.4 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 114.7 | 171.7 | -163.3 | -7.6 | 0 | 0 | 0 | 109.8 | T2 N377 | T2-D375 PolarHBondContact OG1-OD1 3.5Å; D375-N377 VanDerWaalsContact C-N 3.26Å; D375-N377 VanDerWaalsContact OD1-CB 3.29Å; D375-N377 WeakPolarHBondContact OD1-CB 3.5Å; D375-N377 PolarHBondContact OD1-N 3.06Å |
| 376 | C | 79.6 | Confident | 68.4 | Low | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | trans | -84 | 0.3 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | T2 L98 L378 | T2-C376 WeakPolarHBondContact O-CB 3.16Å; T2-C376 PolarHBondContact O-N 3.35Å; L98-C376 HydrophobicContact CB-CB 4.4Å; C376-L378 PolarHBondContact O-N 3.09Å; C376-L378 VanDerWaalsContact O-N 3.09Å | ||
| 377 | N | 76.6 | Confident | 68.6 | Low | 61 Ų | 61 | 57.5 Ų | 57.5 | 33% | 0.326 | 29% | 0.287 | S | S | . | . | trans | -78.8 | 88.8 | 169.4 | -167 | 35.9 | 0 | 0 | 0 | 109.7 | T2 D375 L379 | T2-N377 HydrophobicContact CG2-CB 4.45Å; D375-N377 VanDerWaalsContact C-N 3.26Å; D375-N377 VanDerWaalsContact OD1-CB 3.29Å; D375-N377 WeakPolarHBondContact OD1-CB 3.5Å; D375-N377 PolarHBondContact OD1-N 3.06Å; N377-L379 VanDerWaalsContact C-N 3.34Å; N377-L379 PolarHBondContact OD1-O 3.16Å | ||
| 378 | L | 70.3 | Confident | 68.5 | Low | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | trans | -87 | -7.8 | -175.7 | -64 | 168.8 | 0 | 0 | 0 | 113.4 | V69 K70 A73 L98 F287 F291 W294 C376 | V69-L378 HydrophobicContact CG1-CD1 3.9Å; V69-L378 HydrophobicContact CG1-CD2 3.81Å; V69-L378 HydrophobicContact CG1-CG 4.5Å; K70-L378 HydrophobicContact CG-CD2 4.18Å; A73-L378 HydrophobicContact CB-CB 4.06Å; L98-L378 HydrophobicContact CD1-CD1 3.48Å; L98-L378 VanDerWaalsContact CD1-CD1 3.48Å; L98-L378 HydrophobicContact CD1-CG 4.42Å; F287-L378 HydrophobicContact CE2-CD1 3.65Å; F287-L378 HydrophobicContact CZ-CD1 3.4Å; F287-L378 VanDerWaalsContact CZ-CD1 3.4Å; F291-L378 HydrophobicContact CD2-CD1 4.13Å; F291-L378 HydrophobicContact CE2-CD1 4.23Å; W294-L378 HydrophobicContact CZ3-CD2 4.36Å; C376-L378 PolarHBondContact O-N 3.09Å; C376-L378 VanDerWaalsContact O-N 3.09Å | ||
| 379 | L | 64 | Low | 68.5 | Low | 9 Ų | 9 | 61.9 Ų | 61.9 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | trans | -125.1 | 112.1 | -179.3 | -63 | 172.8 | 0 | 0 | 0 | 109.2 | A73 V87 L91 N377 F381 | A73-L379 HydrophobicContact CB-CD2 3.96Å; A73-L379 HydrophobicContact CB-CG 4.5Å; V87-L379 HydrophobicContact CB-CD1 4.45Å; V87-L379 HydrophobicContact CG1-CD1 3.52Å; L91-L379 HydrophobicContact CD1-CD1 3.72Å; L91-L379 HydrophobicContact CD1-CG 4.2Å; N377-L379 VanDerWaalsContact C-N 3.34Å; N377-L379 PolarHBondContact OD1-O 3.16Å; L379-F381 HydrophobicContact CB-CD2 3.8Å; L379-F381 HydrophobicContact CB-CE2 3.91Å; L379-F381 HydrophobicContact CD1-CD2 4.12Å; L379-F381 HydrophobicContact CD1-CE2 3.41Å; L379-F381 VanDerWaalsContact CD1-CE2 3.41Å; L379-F381 HydrophobicContact CD1-CZ 4.07Å; L379-F381 HydrophobicContact CG-CE2 4.18Å; L379-F381 PolarHBondContact O-N 3.47Å | ||
| 380 | D | 53.6 | Low | 68.1 | Low | 138 Ų | 138 | 65.7 Ų | 65.7 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | trans | -78.6 | 68.7 | 163.3 | -74.4 | -28.5 | 0 | 0 | 0 | 108.5 | K382 | D380-K382 PolarHBondContact O-N 3.08Š| ||
| 381 | F | 45.3 | Very low | 67.2 | Low | 78 Ų | 78 | 70.3 Ų | 70.3 | 34% | 0.342 | 35% | 0.354 | S | S | . | . | trans | -67.6 | 96.1 | 158.4 | -72.3 | -62.1 | 0 | 0 | 0 | 106.3 | K84 L379 V383 | K84-F381 HydrophobicContact CD-CE1 4Å; K84-F381 HydrophobicContact CG-CE1 4.48Å; L379-F381 HydrophobicContact CB-CD2 3.8Å; L379-F381 HydrophobicContact CB-CE2 3.91Å; L379-F381 HydrophobicContact CD1-CD2 4.12Å; L379-F381 HydrophobicContact CD1-CE2 3.41Å; L379-F381 VanDerWaalsContact CD1-CE2 3.41Å; L379-F381 HydrophobicContact CD1-CZ 4.07Å; L379-F381 HydrophobicContact CG-CE2 4.18Å; L379-F381 PolarHBondContact O-N 3.47Å; F381-V383 PolarHBondContact O-N 3.28Å | ||
| 382 | K | 31.9 | Very low | 65.9 | Low | 202 Ų | 202 | 73.4 Ų | 73.4 | 88% | 0.878 | 37% | 0.372 | S | S | * | . | trans | -57.1 | 99.7 | 156.2 | -76.2 | -173.6 | 177.1 | -179 | 0 | 105.9 | D380 | D380-K382 PolarHBondContact O-N 3.08Š| ||
| 383 | V | 30.3 | Very low | 64.2 | Low | 205 Ų | 205 | 78.4 Ų | 78.4 | 100% | 1.242 | 40% | 0.399 | S | S | * | . | trans | -68.6 | 0 | 160.4 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | F381 | F381-V383 PolarHBondContact O-N 3.28Š|
Retrieved 383 of 383 residues in 563.2 ms
(Link to these results)