| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.3 | Very low | 77.6 | Confident | 243 Ų | 243 | 94.1 Ų | 94.1 | 100% | 1.197 | 53% | 0.534 | S | S | * | . | 0 | 126.8 | 0 | -68.4 | 175.7 | -170.9 | 0 | 0 | 107.2 | S3 | M1-S3 PolarHBondContact O-N 2.83Š| |||
| 2 | A | 41.9 | Very low | 79.3 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 82% | 0.818 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -61 | 131.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 3 | S | 50.9 | Low | 80.8 | Confident | 106 Ų | 106 | 86.8 Ų | 86.8 | 74% | 0.741 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 134.7 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | M1 K5 | M1-S3 PolarHBondContact O-N 2.83Å; S3-K5 PolarHBondContact O-N 3.29Å |
| 4 | P | 63.4 | Low | 82.1 | Confident | 97 Ų | 97 | 86.3 Ų | 86.3 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 130.2 | 176.9 | 19.5 | -29.4 | 0 | 0 | 0 | 109.2 | A6 | P4-A6 PolarHBondContact O-N 3.42Š|
| 5 | K | 80.1 | Confident | 83.1 | Confident | 188 Ų | 188 | 86.7 Ų | 86.7 | 82% | 0.817 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 128.8 | -177.1 | -171 | 175.6 | -180 | 176.8 | 0 | 108.8 | S3 Q50 | S3-K5 PolarHBondContact O-N 3.29Å; K5-Q50 PolarHBondContact O-NE2 3.14Å |
| 6 | A | 91.2 | Very high | 84.1 | Confident | 44 Ų | 44 | 81.3 Ų | 81.3 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 149.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | P4 | P4-A6 PolarHBondContact O-N 3.42Š|
| 7 | F | 96 | Very high | 84.9 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 15% | 0.145 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -78.9 | -23 | 175.5 | -65.5 | -59.6 | 0 | 0 | 0 | 113.6 | I42 Q50 V75 K78 L79 | F7-I42 HydrophobicContact CB-CD1 4.12Å; F7-I42 HydrophobicContact CB-CG1 4.19Å; F7-Q50 HydrophobicContact CD2-CG 3.9Å; F7-Q50 HydrophobicContact CE2-CG 3.31Å; F7-Q50 HydrophobicContact CZ-CG 4.12Å; F7-V75 HydrophobicContact CB-CG2 4.21Å; F7-V75 HydrophobicContact CD2-CB 4.49Å; F7-V75 HydrophobicContact CD2-CG1 3.73Å; F7-V75 HydrophobicContact CD2-CG2 4.05Å; F7-V75 HydrophobicContact CE2-CG1 3.57Å; F7-V75 HydrophobicContact CG-CG1 4.38Å; F7-V75 HydrophobicContact CG-CG2 4.17Å; F7-V75 HydrophobicContact CZ-CG1 4.19Å; F7-K78 HydrophobicContact CD1-CB 3.89Å; F7-K78 HydrophobicContact CD1-CG 4.39Å; F7-K78 HydrophobicContact CE1-CB 3.63Å; F7-L79 HydrophobicContact CE1-CG 4.43Å; F7-L79 HydrophobicContact CE2-CD1 4.24Å; F7-L79 HydrophobicContact CE2-CD2 4.25Å; F7-L79 HydrophobicContact CE2-CG 4.12Å; F7-L79 HydrophobicContact CZ-CD1 4.18Å; F7-L79 HydrophobicContact CZ-CD2 3.56Å; F7-L79 HydrophobicContact CZ-CG 3.57Å |
| 8 | H | 97.6 | Very high | 85.7 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 19% | 0.19 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -82.9 | 160.2 | 172.1 | 67.1 | -101.6 | 0 | 0 | 0 | 110.5 | I42 R43 E150 | H8-I42 HydrophobicContact CB-CG2 3.78Å; H8-R43 HydrophobicContact CB-CB 4.48Å; H8-R43 HydrophobicContact CB-CG 3.65Å; H8-R43 PolarHBondContact CD2-NH1 3.2Å; H8-R43 PolarHBondContact NE2-NH1 3.3Å; H8-E150 IonicContact CD2-OE1 2.79Å; H8-E150 IonicContact NE2-OE1 2.73Å |
| 9 | I | 97.8 | Very high | 86.3 | Confident | 79 Ų | 79 | 75.9 Ų | 75.9 | 41% | 0.405 | 42% | 0.42 | S | S | . | . | trans | -103.8 | 161.4 | 168.9 | 65.7 | 175.7 | 0 | 0 | 0 | 109.9 | S11 Q35 P36 R43 | I9-S11 PolarHBondContact O-N 2.87Å; I9-S11 VanDerWaalsContact O-N 3.11Å; I9-Q35 PolarHBondContact O-NE2 2.9Å; I9-P36 HydrophobicContact CG2-CG 4.14Å; I9-R43 PolarHBondContact O-NH2 2.83Å | ||
| 10 | N | 98 | Very high | 86.9 | Confident | 103 Ų | 103 | 73 Ų | 73 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | trans | -71.1 | 102.8 | 161.5 | -173.6 | -7.8 | 0 | 0 | 0 | 107.5 | K30 E150 | N10-K30 PolarHBondContact OD1-NZ 3.23Å; N10-K30 VanDerWaalsContact OD1-NZ 3.07Å; N10-E150 WeakPolarHBondContact CA-OE2 3.4Å; N10-E150 PolarHBondContact OD1-OE2 3.39Å | ||
| 11 | S | 98.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.014 | 42% | 0.416 | C | S | . | . | trans | -69.8 | 151.9 | -178 | 55.7 | 0 | 0 | 0 | 0 | 111 | I9 K30 M31 E32 R43 | I9-S11 PolarHBondContact O-N 2.87Å; I9-S11 VanDerWaalsContact O-N 3.11Å; S11-K30 PolarHBondContact O-NZ 2.91Å; S11-K30 WeakPolarHBondContact OG-CD 3.29Å; S11-K30 WeakPolarHBondContact OG-CE 3.49Å; S11-K30 PolarHBondContact OG-NZ 3Å; S11-M31 VanDerWaalsContact CB-O 3.26Å; S11-M31 WeakPolarHBondContact CB-O 3.17Å; S11-E32 PolarHBondContact OG-OE1 2.92Å; S11-R43 PolarHBondContact OG-NH2 3.39Å | ||
| 12 | P | 98.4 | Very high | 90.1 | Very high | 56 Ų | 56 | 70.5 Ų | 70.5 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | trans | -52.2 | 144.4 | 175.4 | -26.1 | 34.4 | 0 | 0 | 0 | 112.8 | L14 M31 | P12-L14 HydrophobicContact CB-CD1 4.31Å; P12-L14 HydrophobicContact CB-CD2 3.96Å; P12-L14 HydrophobicContact CB-CG 3.96Å; P12-M31 HydrophobicContact CB-CB 4.16Å; P12-M31 HydrophobicContact CB-CG 4.22Å; P12-M31 HydrophobicContact CG-CB 4.47Å; P12-M31 WeakPolarHBondContact O-CB 3.21Å; P12-M31 PolarHBondContact O-N 3.31Å | ||
| 13 | F | 98.5 | Very high | 92.7 | Very high | 38 Ų | 38 | 66.5 Ų | 66.5 | 17% | 0.167 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 102.9 | 172.7 | -171.3 | -112.1 | 0 | 0 | 0 | 107.4 | Y28 L29 K30 I151 S154 L155 V301 | F13-Y28 HydrophobicContact CD1-CD1 4.13Å; F13-Y28 HydrophobicContact CD1-CG 4.39Å; F13-Y28 AromaticContact CE1-CD1 3.72Å; F13-Y28 HydrophobicContact CE1-CD1 3.72Å; F13-Y28 HydrophobicContact CE1-CD2 4.19Å; F13-Y28 HydrophobicContact CE1-CE1 4.41Å; F13-Y28 AromaticContact CE1-CG 3.61Å; F13-Y28 HydrophobicContact CE1-CG 3.61Å; F13-Y28 HydrophobicContact CE2-CG 4.39Å; F13-Y28 HydrophobicContact CZ-CD1 4.18Å; F13-Y28 HydrophobicContact CZ-CD2 4.14Å; F13-Y28 AromaticContact CZ-CG 3.62Å; F13-Y28 HydrophobicContact CZ-CG 3.62Å; F13-L29 WeakPolarHBondContact CA-O 3.21Å; F13-K30 HydrophobicContact CD2-CB 4.18Å; F13-K30 HydrophobicContact CD2-CD 4.07Å; F13-K30 HydrophobicContact CE2-CB 4.5Å; F13-I151 HydrophobicContact CE2-CG1 4.15Å; F13-I151 HydrophobicContact CE2-CG2 4.28Å; F13-I151 HydrophobicContact CZ-CG2 4.29Å; F13-S154 VanDerWaalsContact CD1-CB 3.43Å; F13-L155 HydrophobicContact CE1-CD2 3.63Å; F13-L155 HydrophobicContact CE1-CG 3.83Å; F13-L155 HydrophobicContact CZ-CD1 4.17Å; F13-L155 HydrophobicContact CZ-CD2 3.86Å; F13-L155 HydrophobicContact CZ-CG 3.85Å; F13-V301 HydrophobicContact CE2-CG1 3.93Å; F13-V301 HydrophobicContact CE2-CG2 4.25Å; F13-V301 HydrophobicContact CZ-CG2 4.03Å |
| 14 | L | 98.3 | Very high | 94.7 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 41% | 0.414 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.9 | -164.9 | -56.4 | 179.5 | 0 | 0 | 0 | 110.3 | P12 Y28 L29 M31 | P12-L14 HydrophobicContact CB-CD1 4.31Å; P12-L14 HydrophobicContact CB-CD2 3.96Å; P12-L14 HydrophobicContact CB-CG 3.96Å; L14-Y28 CarbonylContact O-C 3.52Å; L14-Y28 VanDerWaalsContact O-CA 3.23Å; L14-Y28 WeakPolarHBondContact O-CA 3.48Å; L14-L29 PolarHBondContact N-O 2.99Å; L14-L29 PolarHBondContact O-N 3.1Å; L14-M31 HydrophobicContact CD1-CG 3.76Å; L14-M31 HydrophobicContact CD1-SD 4.42Å; L14-M31 HydrophobicContact CG-CG 4.07Å |
| 15 | E | 98.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 61.4 Ų | 61.4 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.8 | 167.3 | -169.9 | -176.9 | 159.4 | 0 | 0 | 109.4 | I17 Y28 | E15-I17 HydrophobicContact CG-CD1 4.26Å; E15-I17 WeakPolarHBondContact OE1-CD1 3.39Å; E15-Y28 HydrophobicContact CB-CD1 3.95Å; E15-Y28 HydrophobicContact CB-CE1 3.68Å; E15-Y28 HydrophobicContact CG-CD1 4.47Å; E15-Y28 HydrophobicContact CG-CE1 4.07Å |
| 16 | S | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -98.8 | 108 | 171.5 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | D18 M19 S20 V27 E263 | S16-D18 VanDerWaalsContact C-N 3.34Å; S16-D18 PolarHBondContact O-N 3.42Å; S16-M19 WeakPolarHBondContact OG-CB 3.23Å; S16-M19 WeakPolarHBondContact OG-CG 3.26Å; S16-M19 PolarHBondContact OG-N 3.25Å; S16-S20 VanDerWaalsContact O-CB 3.28Å; S16-S20 WeakPolarHBondContact O-CB 3.25Å; S16-S20 PolarHBondContact O-N 2.99Å; S16-S20 PolarHBondContact O-OG 3.41Å; S16-V27 PolarHBondContact N-O 3.29Å; S16-E263 WeakPolarHBondContact CB-OE1 3.37Å; S16-E263 PolarHBondContact OG-OE1 2.86Å | ||
| 17 | I | 98.3 | Very high | 97.4 | Very high | 87 Ų | 87 | 55 Ų | 55 | 45% | 0.446 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | -179.8 | -60.4 | -58.1 | 0 | 0 | 0 | 111 | E15 S20 K21 | E15-I17 HydrophobicContact CG-CD1 4.26Å; E15-I17 WeakPolarHBondContact OE1-CD1 3.39Å; I17-S20 PolarHBondContact O-N 3.21Å; I17-K21 HydrophobicContact CG2-CD 4.41Å; I17-K21 WeakPolarHBondContact O-CG 3.28Å; I17-K21 PolarHBondContact O-N 3Å |
| 18 | D | 98 | Very high | 97.6 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -75.4 | -38.1 | -175.8 | -65.9 | -42 | 0 | 0 | 0 | 112.3 | S16 S20 K21 R22 E262 | S16-D18 VanDerWaalsContact C-N 3.34Å; S16-D18 PolarHBondContact O-N 3.42Å; D18-S20 VanDerWaalsContact C-N 3.33Å; D18-K21 PolarHBondContact O-N 3.41Å; D18-K21 IonicContact OD1-NZ 2.7Å; D18-K21 PolarHBondContact OD1-NZ 3.2Å; D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.34Å; D18-R22 PolarHBondContact O-N 3.45Å; D18-E262 HydrophobicContact CB-CG 4.27Å; D18-E262 WeakPolarHBondContact CB-OE2 3.48Å |
| 19 | M | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 168.5 | -70.6 | -168 | -171.2 | 0 | 0 | 112 | S16 K21 R22 T23 V27 L29 F259 L275 V278 Y279 M302 | S16-M19 WeakPolarHBondContact OG-CB 3.23Å; S16-M19 WeakPolarHBondContact OG-CG 3.26Å; S16-M19 PolarHBondContact OG-N 3.25Å; M19-K21 PolarHBondContact O-N 3.26Å; M19-R22 WeakPolarHBondContact O-CB 3.48Å; M19-R22 PolarHBondContact O-N 2.89Å; M19-R22 VanDerWaalsContact O-N 3.14Å; M19-T23 PolarHBondContact O-N 2.75Å; M19-T23 PolarHBondContact O-OG1 2.69Å; M19-T23 VanDerWaalsContact O-OG1 3.12Å; M19-V27 HydrophobicContact CB-CB 3.76Å; M19-V27 HydrophobicContact CB-CG1 3.77Å; M19-V27 HydrophobicContact CB-CG2 3.9Å; M19-V27 HydrophobicContact CG-CG1 4.45Å; M19-V27 HydrophobicContact SD-CG1 3.78Å; M19-L29 HydrophobicContact CE-CD2 3.99Å; M19-L29 HydrophobicContact SD-CD2 3.74Å; M19-F259 HydrophobicContact CE-CD2 3.67Å; M19-F259 HydrophobicContact CE-CE2 3.89Å; M19-L275 HydrophobicContact CE-CD2 3.63Å; M19-V278 HydrophobicContact CB-CG1 3.91Å; M19-V278 HydrophobicContact CG-CB 4.49Å; M19-V278 HydrophobicContact CG-CG1 3.87Å; M19-V278 HydrophobicContact SD-CB 4.32Å; M19-V278 HydrophobicContact SD-CG1 4.33Å; M19-V278 HydrophobicContact SD-CG2 4.36Å; M19-Y279 HydrophobicContact CE-CD2 4.21Å; M19-Y279 HydrophobicContact CE-CE2 3.33Å; M19-Y279 WeakPolarHBondContact CE-OH 3.16Å; M19-Y279 HydrophobicContact CG-CE1 4.31Å; M19-M302 HydrophobicContact SD-CG 4.12Å |
| 20 | S | 98.2 | Very high | 97.7 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 179.3 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | S16 I17 D18 R22 T23 G24 T25 V27 | S16-S20 VanDerWaalsContact O-CB 3.28Å; S16-S20 WeakPolarHBondContact O-CB 3.25Å; S16-S20 PolarHBondContact O-N 2.99Å; S16-S20 PolarHBondContact O-OG 3.41Å; I17-S20 PolarHBondContact O-N 3.21Å; D18-S20 VanDerWaalsContact C-N 3.33Å; S20-R22 VanDerWaalsContact C-N 3.32Å; S20-R22 PolarHBondContact O-N 2.95Å; S20-T23 PolarHBondContact O-N 2.87Å; S20-T23 PolarHBondContact O-OG1 3.07Å; S20-G24 WeakPolarHBondContact O-CA 3.47Å; S20-G24 PolarHBondContact O-N 3.49Å; S20-T25 VanDerWaalsContact CA-O 3.22Å; S20-T25 WeakPolarHBondContact CA-O 2.98Å; S20-T25 WeakPolarHBondContact CB-O 3.49Å; S20-V27 PolarHBondContact OG-N 3.07Å |
| 21 | K | 96.8 | Very high | 97.7 | Very high | 146 Ų | 146 | 45 Ų | 45 | 64% | 0.635 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61 | -39.5 | 173.1 | -72.2 | 168.8 | -169 | 154.6 | 0 | 112.2 | I17 D18 M19 | I17-K21 HydrophobicContact CG2-CD 4.41Å; I17-K21 WeakPolarHBondContact O-CG 3.28Å; I17-K21 PolarHBondContact O-N 3Å; D18-K21 PolarHBondContact O-N 3.41Å; D18-K21 IonicContact OD1-NZ 2.7Å; D18-K21 PolarHBondContact OD1-NZ 3.2Å; M19-K21 PolarHBondContact O-N 3.26Å |
| 22 | R | 95.6 | Very high | 97.7 | Very high | 118 Ų | 118 | 44.9 Ų | 44.9 | 45% | 0.445 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.4 | -40.7 | -178.5 | -69.5 | 166.3 | -173.8 | -79.3 | 2 | 112 | D18 M19 S20 E262 V278 Q284 | D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.34Å; D18-R22 PolarHBondContact O-N 3.45Å; M19-R22 WeakPolarHBondContact O-CB 3.48Å; M19-R22 PolarHBondContact O-N 2.89Å; M19-R22 VanDerWaalsContact O-N 3.14Å; S20-R22 VanDerWaalsContact C-N 3.32Å; S20-R22 PolarHBondContact O-N 2.95Å; R22-E262 IonicContact CZ-OE1 3.55Å; R22-E262 IonicContact NE-OE1 3.45Å; R22-E262 PolarHBondContact NE-OE1 2.99Å; R22-E262 IonicContact NH2-OE1 3.49Å; R22-E262 PolarHBondContact NH2-OE1 3.08Å; R22-V278 HydrophobicContact CB-CG1 4.3Å; R22-Q284 PolarHBondContact O-NE2 3Å |
| 23 | T | 94.9 | Very high | 97.7 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -89.9 | -18.8 | -176 | 58 | 0 | 0 | 0 | 0 | 113.7 | M19 S20 T25 V27 V278 L300 | M19-T23 PolarHBondContact O-N 2.75Å; M19-T23 PolarHBondContact O-OG1 2.69Å; M19-T23 VanDerWaalsContact O-OG1 3.12Å; S20-T23 PolarHBondContact O-N 2.87Å; S20-T23 PolarHBondContact O-OG1 3.07Å; T23-T25 PolarHBondContact O-N 2.72Å; T23-T25 PolarHBondContact OG1-N 2.66Å; T23-T25 PolarHBondContact OG1-O 3.45Å; T23-V27 HydrophobicContact CG2-CG2 4.12Å; T23-V27 WeakPolarHBondContact OG1-CG2 3.49Å; T23-V278 HydrophobicContact CG2-CB 4.34Å; T23-V278 HydrophobicContact CG2-CG1 3.69Å; T23-V278 HydrophobicContact CG2-CG2 3.93Å; T23-L300 HydrophobicContact CG2-CD2 4.38Å |
| 24 | G | 93.9 | Very high | 97.7 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 73% | 0.732 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 18.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S20 | S20-G24 WeakPolarHBondContact O-CA 3.47Å; S20-G24 PolarHBondContact O-N 3.49Å |
| 25 | T | 95.2 | Very high | 97.7 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 15% | 0.153 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -143.2 | 153.7 | 176.1 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | S20 T23 V27 L296 L300 | S20-T25 VanDerWaalsContact CA-O 3.22Å; S20-T25 WeakPolarHBondContact CA-O 2.98Å; S20-T25 WeakPolarHBondContact CB-O 3.49Å; T23-T25 PolarHBondContact O-N 2.72Å; T23-T25 PolarHBondContact OG1-N 2.66Å; T23-T25 PolarHBondContact OG1-O 3.45Å; T25-V27 PolarHBondContact O-N 2.87Å; T25-L296 HydrophobicContact CG2-CD1 3.97Å; T25-L296 HydrophobicContact CG2-CG 4.48Å; T25-L300 HydrophobicContact CG2-CB 4.38Å |
| 26 | E | 98.1 | Very high | 97.6 | Very high | 97 Ų | 97 | 38.4 Ų | 38.4 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | trans | -58.6 | 130.5 | 177.1 | -67.3 | 171.8 | 137.8 | 0 | 0 | 110.5 | Y28 P299 L300 | E26-Y28 HydrophobicContact CB-CE2 4.16Å; E26-P299 HydrophobicContact CB-CB 3.94Å; E26-P299 CarbonylContact O-C 3.59Å; E26-P299 VanDerWaalsContact O-CA 3.29Å; E26-P299 WeakPolarHBondContact O-CA 3.36Å; E26-P299 WeakPolarHBondContact O-CB 3.36Å; E26-L300 PolarHBondContact O-N 3.43Å | ||
| 27 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.6 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | S16 M19 S20 T23 T25 L300 M302 | S16-V27 PolarHBondContact N-O 3.29Å; M19-V27 HydrophobicContact CB-CB 3.76Å; M19-V27 HydrophobicContact CB-CG1 3.77Å; M19-V27 HydrophobicContact CB-CG2 3.9Å; M19-V27 HydrophobicContact CG-CG1 4.45Å; M19-V27 HydrophobicContact SD-CG1 3.78Å; S20-V27 PolarHBondContact OG-N 3.07Å; T23-V27 HydrophobicContact CG2-CG2 4.12Å; T23-V27 WeakPolarHBondContact OG1-CG2 3.49Å; T25-V27 PolarHBondContact O-N 2.87Å; V27-L300 CarbonylContact C-O 3.51Å; V27-L300 WeakPolarHBondContact CA-O 3.4Å; V27-L300 HydrophobicContact CG1-CD2 4.38Å; V27-L300 HydrophobicContact CG2-CB 4.17Å; V27-L300 HydrophobicContact CG2-CD2 4.12Å; V27-M302 HydrophobicContact CG1-CG 3.64Å |
| 28 | Y | 98.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 35.6 Ų | 35.6 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 141.1 | 173.8 | -66.5 | -82.2 | 0 | 0 | 0 | 111.9 | F13 L14 E15 E26 L155 P299 L300 V301 M302 | F13-Y28 HydrophobicContact CD1-CD1 4.13Å; F13-Y28 HydrophobicContact CD1-CG 4.39Å; F13-Y28 AromaticContact CE1-CD1 3.72Å; F13-Y28 HydrophobicContact CE1-CD1 3.72Å; F13-Y28 HydrophobicContact CE1-CD2 4.19Å; F13-Y28 HydrophobicContact CE1-CE1 4.41Å; F13-Y28 AromaticContact CE1-CG 3.61Å; F13-Y28 HydrophobicContact CE1-CG 3.61Å; F13-Y28 HydrophobicContact CE2-CG 4.39Å; F13-Y28 HydrophobicContact CZ-CD1 4.18Å; F13-Y28 HydrophobicContact CZ-CD2 4.14Å; F13-Y28 AromaticContact CZ-CG 3.62Å; F13-Y28 HydrophobicContact CZ-CG 3.62Å; L14-Y28 CarbonylContact O-C 3.52Å; L14-Y28 VanDerWaalsContact O-CA 3.23Å; L14-Y28 WeakPolarHBondContact O-CA 3.48Å; E15-Y28 HydrophobicContact CB-CD1 3.95Å; E15-Y28 HydrophobicContact CB-CE1 3.68Å; E15-Y28 HydrophobicContact CG-CD1 4.47Å; E15-Y28 HydrophobicContact CG-CE1 4.07Å; E26-Y28 HydrophobicContact CB-CE2 4.16Å; Y28-L155 HydrophobicContact CD2-CD2 4.02Å; Y28-L155 HydrophobicContact CE2-CD2 3.98Å; Y28-P299 HydrophobicContact CD2-CB 3.59Å; Y28-P299 HydrophobicContact CD2-CG 4.08Å; Y28-P299 HydrophobicContact CE2-CB 3.6Å; Y28-P299 HydrophobicContact CE2-CG 3.96Å; Y28-L300 PolarHBondContact N-O 3.32Å; Y28-V301 CarbonylContact O-C 3.6Å; Y28-V301 WeakPolarHBondContact O-CA 3.41Å; Y28-M302 PolarHBondContact O-N 3.02Å |
| 29 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.1 | 177.9 | -51.7 | -179.5 | 0 | 0 | 0 | 109.3 | F13 L14 M19 M31 F259 E263 M302 V304 | F13-L29 WeakPolarHBondContact CA-O 3.21Å; L14-L29 PolarHBondContact N-O 2.99Å; L14-L29 PolarHBondContact O-N 3.1Å; M19-L29 HydrophobicContact CE-CD2 3.99Å; M19-L29 HydrophobicContact SD-CD2 3.74Å; L29-M31 HydrophobicContact CB-CG 4.35Å; L29-M31 HydrophobicContact CB-SD 3.64Å; L29-M31 HydrophobicContact CD1-SD 4.11Å; L29-M31 PolarHBondContact O-N 2.86Å; L29-F259 HydrophobicContact CD1-CE2 3.76Å; L29-F259 HydrophobicContact CD1-CZ 4.14Å; L29-F259 HydrophobicContact CD2-CE2 4.35Å; L29-E263 HydrophobicContact CD1-CG 3.87Å; L29-M302 HydrophobicContact CD2-CB 3.81Å; L29-M302 HydrophobicContact CD2-CG 4Å; L29-V304 HydrophobicContact CB-CG2 3.94Å; L29-V304 HydrophobicContact CD2-CG2 4.1Å; L29-V304 HydrophobicContact CG-CG2 4.48Å |
| 30 | K | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 101.6 | 166.5 | -173.7 | 55.2 | 172.8 | 168.9 | 0 | 108.5 | N10 S11 F13 E32 I147 E150 I151 M302 V304 | N10-K30 PolarHBondContact OD1-NZ 3.23Å; N10-K30 VanDerWaalsContact OD1-NZ 3.07Å; S11-K30 PolarHBondContact O-NZ 2.91Å; S11-K30 WeakPolarHBondContact OG-CD 3.29Å; S11-K30 WeakPolarHBondContact OG-CE 3.49Å; S11-K30 PolarHBondContact OG-NZ 3Å; F13-K30 HydrophobicContact CD2-CB 4.18Å; F13-K30 HydrophobicContact CD2-CD 4.07Å; F13-K30 HydrophobicContact CE2-CB 4.5Å; K30-E32 VanDerWaalsContact C-N 3.26Å; K30-E32 HydrophobicContact CG-CG 4.37Å; K30-E32 PolarHBondContact O-N 3.3Å; K30-I147 HydrophobicContact CG-CG2 4Å; K30-E150 VanDerWaalsContact CE-OE2 3.24Å; K30-E150 WeakPolarHBondContact CE-OE2 3.37Å; K30-E150 IonicContact NZ-OE2 3.87Å; K30-E150 PolarHBondContact NZ-OE2 2.81Å; K30-I151 HydrophobicContact CB-CD1 4.38Å; K30-I151 HydrophobicContact CB-CG1 4.41Å; K30-I151 HydrophobicContact CD-CG1 4.23Å; K30-I151 HydrophobicContact CG-CD1 4.25Å; K30-I151 HydrophobicContact CG-CG1 4.15Å; K30-M302 PolarHBondContact N-O 2.85Å; K30-V304 PolarHBondContact O-N 2.89Å |
| 31 | M | 98.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | trans | -78.4 | 64.1 | -166.2 | -62.6 | -59.2 | -76.8 | 0 | 0 | 113.2 | S11 P12 L14 L29 S33 S34 F259 V265 V304 | S11-M31 VanDerWaalsContact CB-O 3.26Å; S11-M31 WeakPolarHBondContact CB-O 3.17Å; P12-M31 HydrophobicContact CB-CB 4.16Å; P12-M31 HydrophobicContact CB-CG 4.22Å; P12-M31 HydrophobicContact CG-CB 4.47Å; P12-M31 WeakPolarHBondContact O-CB 3.21Å; P12-M31 PolarHBondContact O-N 3.31Å; L14-M31 HydrophobicContact CD1-CG 3.76Å; L14-M31 HydrophobicContact CD1-SD 4.42Å; L14-M31 HydrophobicContact CG-CG 4.07Å; L29-M31 HydrophobicContact CB-CG 4.35Å; L29-M31 HydrophobicContact CB-SD 3.64Å; L29-M31 HydrophobicContact CD1-SD 4.11Å; L29-M31 PolarHBondContact O-N 2.86Å; M31-S33 PolarHBondContact O-N 2.95Å; M31-S33 VanDerWaalsContact O-N 3.16Å; M31-S34 WeakPolarHBondContact O-CB 3.4Å; M31-S34 PolarHBondContact O-N 3.09Å; M31-F259 HydrophobicContact CE-CZ 4.28Å; M31-F259 HydrophobicContact SD-CZ 4.44Å; M31-V265 HydrophobicContact CE-CB 4.3Å; M31-V265 HydrophobicContact CE-CG1 4.37Å; M31-V265 HydrophobicContact CE-CG2 3.75Å; M31-V304 HydrophobicContact SD-CB 4.14Å; M31-V304 HydrophobicContact SD-CG1 4.33Å; M31-V304 HydrophobicContact SD-CG2 3.92Å | ||
| 32 | E | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -65.7 | -13.3 | 176.8 | -65 | -59.9 | 119.9 | 0 | 0 | 113.6 | S11 K30 S34 Q35 S39 F40 R43 I147 I303 V304 | S11-E32 PolarHBondContact OG-OE1 2.92Å; K30-E32 VanDerWaalsContact C-N 3.26Å; K30-E32 HydrophobicContact CG-CG 4.37Å; K30-E32 PolarHBondContact O-N 3.3Å; E32-S34 PolarHBondContact O-N 3.47Å; E32-Q35 WeakPolarHBondContact O-CB 3.2Å; E32-Q35 VanDerWaalsContact O-CG 3.27Å; E32-Q35 WeakPolarHBondContact O-CG 3.43Å; E32-Q35 PolarHBondContact O-N 3.31Å; E32-Q35 WeakPolarHBondContact OE2-CG 3.39Å; E32-Q35 PolarHBondContact OE2-NE2 3.37Å; E32-S39 CarbonylContact O-C 3.55Å; E32-S39 WeakPolarHBondContact O-CA 3.37Å; E32-F40 HydrophobicContact CB-CB 3.72Å; E32-F40 HydrophobicContact CG-CB 3.81Å; E32-F40 WeakPolarHBondContact OE2-CA 3.42Å; E32-R43 VanDerWaalsContact CD-NE 3.3Å; E32-R43 IonicContact OE1-CZ 2.64Å; E32-R43 IonicContact OE1-NE 2.96Å; E32-R43 PolarHBondContact OE1-NE 3.38Å; E32-R43 IonicContact OE1-NH2 3.39Å; E32-R43 PolarHBondContact OE1-NH2 3.27Å; E32-R43 WeakPolarHBondContact OE2-CD 3.26Å; E32-R43 IonicContact OE2-CZ 3.15Å; E32-R43 IonicContact OE2-NE 2.84Å; E32-R43 PolarHBondContact OE2-NE 2.99Å; E32-R43 IonicContact OE2-NH2 2.83Å; E32-I147 HydrophobicContact CG-CD1 4.41Å; E32-I303 HydrophobicContact CG-CG2 4.12Å; E32-V304 CarbonylContact C-O 3.55Å; E32-V304 WeakPolarHBondContact CA-O 3.47Å; E32-V304 VanDerWaalsContact CB-O 3.31Å; E32-V304 WeakPolarHBondContact CB-O 3.33Å; E32-V304 PolarHBondContact N-O 3.48Å; E32-V304 VanDerWaalsContact N-O 3.12Å |
| 33 | S | 98.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 15% | 0.154 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -59.9 | -25.7 | 165.7 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | M31 Q35 V304 | M31-S33 PolarHBondContact O-N 2.95Å; M31-S33 VanDerWaalsContact O-N 3.16Å; S33-Q35 VanDerWaalsContact C-N 3.28Å; S33-Q35 PolarHBondContact O-N 3.49Å; S33-V304 PolarHBondContact N-O 3.29Å |
| 34 | S | 98 | Very high | 97.7 | Very high | 56 Ų | 56 | 21.4 Ų | 21.4 | 39% | 0.392 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -83.4 | 0.8 | 178 | -52.8 | 0 | 0 | 0 | 0 | 113.8 | M31 E32 | M31-S34 WeakPolarHBondContact O-CB 3.4Å; M31-S34 PolarHBondContact O-N 3.09Å; E32-S34 PolarHBondContact O-N 3.47Å |
| 35 | Q | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.028 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -63.2 | 153.1 | 177.9 | -75.5 | -64.6 | -3.3 | 0 | 0 | 111.8 | I9 E32 S33 S37 G38 S39 I42 R43 | I9-Q35 PolarHBondContact O-NE2 2.9Å; E32-Q35 WeakPolarHBondContact O-CB 3.2Å; E32-Q35 VanDerWaalsContact O-CG 3.27Å; E32-Q35 WeakPolarHBondContact O-CG 3.43Å; E32-Q35 PolarHBondContact O-N 3.31Å; E32-Q35 WeakPolarHBondContact OE2-CG 3.39Å; E32-Q35 PolarHBondContact OE2-NE2 3.37Å; S33-Q35 VanDerWaalsContact C-N 3.28Å; S33-Q35 PolarHBondContact O-N 3.49Å; Q35-S37 PolarHBondContact O-N 2.74Å; Q35-G38 WeakPolarHBondContact O-CA 3.44Å; Q35-G38 PolarHBondContact O-N 3.34Å; Q35-S39 WeakPolarHBondContact CB-O 3.44Å; Q35-S39 WeakPolarHBondContact CG-O 3.49Å; Q35-I42 HydrophobicContact CB-CG2 3.67Å; Q35-I42 HydrophobicContact CG-CG2 3.75Å; Q35-R43 VanDerWaalsContact NE2-NE 3.14Å; Q35-R43 VanDerWaalsContact NE2-NH2 3.11Å |
| 36 | P | 96.9 | Very high | 98 | Very high | 45 Ų | 45 | 17 Ų | 17 | 29% | 0.292 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.2 | -177.6 | -26.6 | 34.9 | 0 | 0 | 0 | 115.5 | I9 Y74 | I9-P36 HydrophobicContact CG2-CG 4.14Å; P36-Y74 HydrophobicContact CB-CD1 4.5Å; P36-Y74 HydrophobicContact CB-CD2 4.22Å; P36-Y74 HydrophobicContact CB-CE1 3.83Å; P36-Y74 HydrophobicContact CB-CE2 3.5Å; P36-Y74 WeakPolarHBondContact CB-OH 3.44Å |
| 37 | S | 95.9 | Very high | 97.9 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 5% | 0.049 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.8 | 174.4 | 75.1 | 0 | 0 | 0 | 0 | 114.3 | Q35 S39 I42 | Q35-S37 PolarHBondContact O-N 2.74Å; S37-S39 VanDerWaalsContact C-N 3.34Å; S37-S39 PolarHBondContact OG-O 3.12Å; S37-I42 WeakPolarHBondContact OG-CB 3.49Å |
| 38 | G | 96 | Very high | 97.8 | Very high | 21 Ų | 21 | 14.6 Ų | 14.6 | 22% | 0.216 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 83 | 1.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q35 G307 | Q35-G38 WeakPolarHBondContact O-CA 3.44Å; Q35-G38 PolarHBondContact O-N 3.34Å; G38-G307 PolarHBondContact O-N 3.05Å |
| 39 | S | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | B | Isolated β-bridge | trans | -156.4 | 169.7 | 176.9 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | E32 Q35 S37 K41 C305 | E32-S39 CarbonylContact O-C 3.55Å; E32-S39 WeakPolarHBondContact O-CA 3.37Å; Q35-S39 WeakPolarHBondContact CB-O 3.44Å; Q35-S39 WeakPolarHBondContact CG-O 3.49Å; S37-S39 VanDerWaalsContact C-N 3.34Å; S37-S39 PolarHBondContact OG-O 3.12Å; S39-K41 PolarHBondContact O-N 3.23Å; S39-K41 WeakPolarHBondContact OG-CB 3.34Å; S39-K41 PolarHBondContact OG-N 3.29Å; S39-C305 VanDerWaalsContact CA-O 3.28Å; S39-C305 WeakPolarHBondContact CA-O 3.22Å; S39-C305 VanDerWaalsContact CB-O 3.24Å; S39-C305 WeakPolarHBondContact CB-O 3.47Å |
| 40 | F | 98.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 15.6 Ų | 15.6 | 9% | 0.088 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.4 | 174.8 | 81.3 | -82.4 | 0 | 0 | 0 | 114.4 | E32 I42 R43 H144 I147 L171 C305 | E32-F40 HydrophobicContact CB-CB 3.72Å; E32-F40 HydrophobicContact CG-CB 3.81Å; E32-F40 WeakPolarHBondContact OE2-CA 3.42Å; F40-I42 PolarHBondContact O-N 2.97Å; F40-I42 VanDerWaalsContact O-N 3.08Å; F40-R43 WeakPolarHBondContact O-CB 3.25Å; F40-R43 PolarHBondContact O-N 3.18Å; F40-H144 AromaticContact CD2-CE1 3.49Å; F40-H144 VanDerWaalsContact CD2-CE1 3.49Å; F40-H144 WeakPolarHBondContact CD2-CE1 3.32Å; F40-H144 AromaticContact CD2-ND1 3.58Å; F40-H144 AromaticContact CE2-CE1 3.55Å; F40-H144 AromaticContact CE2-ND1 3.95Å; F40-H144 AromaticContact CE2-NE2 3.66Å; F40-I147 HydrophobicContact CB-CD1 4.17Å; F40-I147 HydrophobicContact CD2-CD1 4.48Å; F40-L171 HydrophobicContact CD1-CD2 4.43Å; F40-L171 HydrophobicContact CD2-CB 4.32Å; F40-L171 HydrophobicContact CD2-CD1 3.7Å; F40-L171 HydrophobicContact CD2-CD2 4.5Å; F40-L171 HydrophobicContact CD2-CG 4.38Å; F40-L171 HydrophobicContact CE1-CD2 4.21Å; F40-L171 HydrophobicContact CE2-CB 3.57Å; F40-L171 HydrophobicContact CE2-CD1 3.85Å; F40-L171 HydrophobicContact CE2-CD2 4.31Å; F40-L171 HydrophobicContact CE2-CG 4.09Å; F40-L171 HydrophobicContact CG-CD1 4.25Å; F40-L171 HydrophobicContact CZ-CB 3.68Å; F40-L171 HydrophobicContact CZ-CD1 4.5Å; F40-L171 HydrophobicContact CZ-CD2 4.15Å; F40-L171 HydrophobicContact CZ-CG 4.32Å; F40-C305 HydrophobicContact CD1-CB 3.71Å; F40-C305 HydrophobicContact CE1-CB 4.07Å; F40-C305 PolarHBondContact N-O 2.85Å |
| 41 | K | 98.3 | Very high | 96.9 | Very high | 32 Ų | 32 | 22.1 Ų | 22.1 | 14% | 0.139 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.3 | -31.5 | -174.1 | -71.8 | -61.4 | -174.3 | 93.3 | 0 | 112.7 | S39 R43 G44 I45 N67 A71 P134 | S39-K41 PolarHBondContact O-N 3.23Å; S39-K41 WeakPolarHBondContact OG-CB 3.34Å; S39-K41 PolarHBondContact OG-N 3.29Å; K41-R43 PolarHBondContact O-N 3.42Å; K41-R43 VanDerWaalsContact O-N 3.13Å; K41-G44 PolarHBondContact O-N 3.23Å; K41-I45 HydrophobicContact CB-CD1 4.21Å; K41-I45 WeakPolarHBondContact O-CB 3.44Å; K41-I45 PolarHBondContact O-N 3.18Å; K41-N67 HydrophobicContact CG-CB 3.96Å; K41-A71 HydrophobicContact CB-CB 3.88Å; K41-P134 PolarHBondContact NZ-O 3.47Å |
| 42 | I | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.7 | -26.7 | 177.7 | -168.2 | 61.7 | 0 | 0 | 0 | 113.9 | F7 H8 Q35 S37 F40 G46 A71 Y74 V75 | F7-I42 HydrophobicContact CB-CD1 4.12Å; F7-I42 HydrophobicContact CB-CG1 4.19Å; H8-I42 HydrophobicContact CB-CG2 3.78Å; Q35-I42 HydrophobicContact CB-CG2 3.67Å; Q35-I42 HydrophobicContact CG-CG2 3.75Å; S37-I42 WeakPolarHBondContact OG-CB 3.49Å; F40-I42 PolarHBondContact O-N 2.97Å; F40-I42 VanDerWaalsContact O-N 3.08Å; I42-G46 VanDerWaalsContact O-CA 3.23Å; I42-G46 WeakPolarHBondContact O-CA 3.37Å; I42-G46 PolarHBondContact O-N 3.21Å; I42-A71 HydrophobicContact CB-CB 4.49Å; I42-A71 HydrophobicContact CD1-CB 4.43Å; I42-Y74 HydrophobicContact CD1-CD1 3.67Å; I42-Y74 HydrophobicContact CD1-CE1 4.32Å; I42-Y74 HydrophobicContact CD1-CG 4.41Å; I42-V75 HydrophobicContact CD1-CG2 3.2Å |
| 43 | R | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.7 | -57 | -177.8 | -65.7 | -178.7 | 176 | -86.6 | 10.2 | 111.5 | H8 I9 S11 E32 Q35 F40 K41 H47 S146 I147 E150 | H8-R43 HydrophobicContact CB-CB 4.48Å; H8-R43 HydrophobicContact CB-CG 3.65Å; H8-R43 PolarHBondContact CD2-NH1 3.2Å; H8-R43 PolarHBondContact NE2-NH1 3.3Å; I9-R43 PolarHBondContact O-NH2 2.83Å; S11-R43 PolarHBondContact OG-NH2 3.39Å; E32-R43 VanDerWaalsContact CD-NE 3.3Å; E32-R43 IonicContact OE1-CZ 2.64Å; E32-R43 IonicContact OE1-NE 2.96Å; E32-R43 PolarHBondContact OE1-NE 3.38Å; E32-R43 IonicContact OE1-NH2 3.39Å; E32-R43 PolarHBondContact OE1-NH2 3.27Å; E32-R43 WeakPolarHBondContact OE2-CD 3.26Å; E32-R43 IonicContact OE2-CZ 3.15Å; E32-R43 IonicContact OE2-NE 2.84Å; E32-R43 PolarHBondContact OE2-NE 2.99Å; E32-R43 IonicContact OE2-NH2 2.83Å; Q35-R43 VanDerWaalsContact NE2-NE 3.14Å; Q35-R43 VanDerWaalsContact NE2-NH2 3.11Å; F40-R43 WeakPolarHBondContact O-CB 3.25Å; F40-R43 PolarHBondContact O-N 3.18Å; K41-R43 PolarHBondContact O-N 3.42Å; K41-R43 VanDerWaalsContact O-N 3.13Å; R43-H47 WeakPolarHBondContact O-CB 3.35Å; R43-H47 PolarHBondContact O-N 3.36Å; R43-H47 VanDerWaalsContact O-N 3.1Å; R43-S146 WeakPolarHBondContact CD-OG 3.09Å; R43-S146 PolarHBondContact NH1-OG 3.45Å; R43-I147 VanDerWaalsContact NE-CG1 3.32Å; R43-E150 IonicContact CZ-OE1 2.78Å; R43-E150 IonicContact CZ-OE2 2.92Å; R43-E150 VanDerWaalsContact NH1-CD 3.35Å; R43-E150 IonicContact NH1-OE1 3.58Å; R43-E150 PolarHBondContact NH1-OE1 2.89Å; R43-E150 IonicContact NH1-OE2 3.85Å; R43-E150 PolarHBondContact NH1-OE2 2.9Å; R43-E150 IonicContact NH2-OE1 3.82Å; R43-E150 PolarHBondContact NH2-OE1 2.96Å; R43-E150 IonicContact NH2-OE2 3.5Å; R43-E150 PolarHBondContact NH2-OE2 3.39Å |
| 44 | G | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.8 | -53.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K41 G46 H47 L48 L140 H144 | K41-G44 PolarHBondContact O-N 3.23Å; G44-G46 VanDerWaalsContact C-N 3.31Å; G44-G46 PolarHBondContact O-N 3.12Å; G44-H47 WeakPolarHBondContact O-CB 3.43Å; G44-H47 PolarHBondContact O-N 2.88Å; G44-H47 VanDerWaalsContact O-N 3.13Å; G44-L48 WeakPolarHBondContact O-CB 3.31Å; G44-L48 PolarHBondContact O-N 3.33Å; G44-L140 WeakPolarHBondContact CA-O 3.42Å; G44-L140 WeakPolarHBondContact O-CD2 3.46Å; G44-H144 PolarHBondContact N-CE1 3.25Å; G44-H144 VanDerWaalsContact N-CE1 3.26Å; G44-H144 PolarHBondContact N-ND1 3.31Å |
| 45 | I | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | -176.6 | -70.9 | 174 | 0 | 0 | 0 | 111 | K41 L48 C49 A68 A71 V75 V132 L140 | K41-I45 HydrophobicContact CB-CD1 4.21Å; K41-I45 WeakPolarHBondContact O-CB 3.44Å; K41-I45 PolarHBondContact O-N 3.18Å; I45-L48 PolarHBondContact O-N 3.01Å; I45-C49 WeakPolarHBondContact O-CB 3.33Å; I45-C49 PolarHBondContact O-N 2.82Å; I45-C49 PolarHBondContact O-SG 3.1Å; I45-C49 VanDerWaalsContact O-SG 3.32Å; I45-A68 HydrophobicContact CD1-CB 3.8Å; I45-A68 WeakPolarHBondContact CD1-O 3.35Å; I45-A71 HydrophobicContact CB-CB 4.22Å; I45-A71 HydrophobicContact CD1-CB 3.81Å; I45-A71 HydrophobicContact CG2-CB 4.26Å; I45-V75 HydrophobicContact CG2-CG2 4.46Å; I45-V132 HydrophobicContact CD1-CG1 4.41Å; I45-V132 HydrophobicContact CG1-CG1 4.17Å; I45-V132 HydrophobicContact CG2-CG1 3.94Å; I45-L140 HydrophobicContact CB-CD2 4.27Å; I45-L140 HydrophobicContact CG1-CD2 3.61Å |
| 46 | G | 96.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I42 G44 C49 Q50 | I42-G46 VanDerWaalsContact O-CA 3.23Å; I42-G46 WeakPolarHBondContact O-CA 3.37Å; I42-G46 PolarHBondContact O-N 3.21Å; G44-G46 VanDerWaalsContact C-N 3.31Å; G44-G46 PolarHBondContact O-N 3.12Å; G46-C49 PolarHBondContact O-N 2.9Å; G46-Q50 VanDerWaalsContact O-CG 3.28Å; G46-Q50 WeakPolarHBondContact O-CG 3.46Å; G46-Q50 PolarHBondContact O-N 2.78Å |
| 47 | H | 96.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 22% | 0.218 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 177.7 | -173.6 | 76.6 | 0 | 0 | 0 | 112.4 | R43 G44 Q50 K51 L139 | R43-H47 WeakPolarHBondContact O-CB 3.35Å; R43-H47 PolarHBondContact O-N 3.36Å; R43-H47 VanDerWaalsContact O-N 3.1Å; G44-H47 WeakPolarHBondContact O-CB 3.43Å; G44-H47 PolarHBondContact O-N 2.88Å; G44-H47 VanDerWaalsContact O-N 3.13Å; H47-Q50 PolarHBondContact O-N 3.23Å; H47-K51 WeakPolarHBondContact O-CG 3.5Å; H47-K51 PolarHBondContact O-N 3.36Å; H47-L139 PolarHBondContact CD2-O 2.84Å |
| 48 | L | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.4 | -58.6 | 176.1 | 178.5 | 77.1 | 0 | 0 | 0 | 110.3 | G44 I45 Q50 K51 I52 V132 P133 L139 L140 | G44-L48 WeakPolarHBondContact O-CB 3.31Å; G44-L48 PolarHBondContact O-N 3.33Å; I45-L48 PolarHBondContact O-N 3.01Å; L48-Q50 VanDerWaalsContact C-N 3.27Å; L48-Q50 PolarHBondContact O-N 3.42Å; L48-K51 WeakPolarHBondContact O-CA 3.5Å; L48-K51 WeakPolarHBondContact O-CB 3.21Å; L48-K51 PolarHBondContact O-N 2.91Å; L48-I52 HydrophobicContact CD1-CD1 3.66Å; L48-I52 HydrophobicContact CD1-CG1 4.27Å; L48-I52 HydrophobicContact CD1-CG2 4.47Å; L48-I52 HydrophobicContact CD2-CD1 4.03Å; L48-I52 HydrophobicContact CG-CD1 3.61Å; L48-I52 HydrophobicContact CG-CG1 4.03Å; L48-I52 WeakPolarHBondContact O-CG1 3.47Å; L48-I52 PolarHBondContact O-N 2.8Å; L48-V132 HydrophobicContact CD2-CB 4.5Å; L48-V132 HydrophobicContact CD2-CG1 4.03Å; L48-P133 HydrophobicContact CD2-CG 4.29Å; L48-L139 HydrophobicContact CB-CB 4.36Å; L48-L139 HydrophobicContact CD1-CB 3.65Å; L48-L139 HydrophobicContact CD1-CD1 3.82Å; L48-L139 HydrophobicContact CD1-CG 4.31Å; L48-L140 HydrophobicContact CB-CD2 3.92Å; L48-L140 HydrophobicContact CD2-CD2 3.92Å; L48-L140 HydrophobicContact CD2-CG 4.3Å; L48-L140 HydrophobicContact CG-CD2 4.48Å |
| 49 | C | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -35.9 | -178.2 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | I45 G46 K51 I52 A53 V75 L79 | I45-C49 WeakPolarHBondContact O-CB 3.33Å; I45-C49 PolarHBondContact O-N 2.82Å; I45-C49 PolarHBondContact O-SG 3.1Å; I45-C49 VanDerWaalsContact O-SG 3.32Å; G46-C49 PolarHBondContact O-N 2.9Å; C49-K51 PolarHBondContact O-N 3.33Å; C49-I52 PolarHBondContact O-N 3.26Å; C49-A53 HydrophobicContact CB-CB 4.46Å; C49-A53 CarbonylContact O-C 3.57Å; C49-A53 WeakPolarHBondContact O-CA 3.48Å; C49-A53 WeakPolarHBondContact O-CB 3.41Å; C49-A53 PolarHBondContact O-N 2.85Å; C49-A53 VanDerWaalsContact O-O 3.13Å; C49-V75 HydrophobicContact CB-CG1 3.47Å; C49-V75 VanDerWaalsContact CB-CG1 3.47Å; C49-L79 HydrophobicContact CB-CD1 4.01Å |
| 50 | Q | 92 | Very high | 92.1 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 29% | 0.29 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -28.9 | 173.6 | -73.1 | 179.1 | -29.7 | 0 | 0 | 113.3 | K5 F7 G46 H47 L48 | K5-Q50 PolarHBondContact O-NE2 3.14Å; F7-Q50 HydrophobicContact CD2-CG 3.9Å; F7-Q50 HydrophobicContact CE2-CG 3.31Å; F7-Q50 HydrophobicContact CZ-CG 4.12Å; G46-Q50 VanDerWaalsContact O-CG 3.28Å; G46-Q50 WeakPolarHBondContact O-CG 3.46Å; G46-Q50 PolarHBondContact O-N 2.78Å; H47-Q50 PolarHBondContact O-N 3.23Å; L48-Q50 VanDerWaalsContact C-N 3.27Å; L48-Q50 PolarHBondContact O-N 3.42Å |
| 51 | K | 90.9 | Very high | 92 | Very high | 138 Ų | 138 | 41.6 Ų | 41.6 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -89.2 | -35.2 | -178.9 | -65.2 | -65.8 | -175 | 178.4 | 0 | 112.9 | H47 L48 C49 L139 | H47-K51 WeakPolarHBondContact O-CG 3.5Å; H47-K51 PolarHBondContact O-N 3.36Å; L48-K51 WeakPolarHBondContact O-CA 3.5Å; L48-K51 WeakPolarHBondContact O-CB 3.21Å; L48-K51 PolarHBondContact O-N 2.91Å; C49-K51 PolarHBondContact O-N 3.33Å; K51-L139 HydrophobicContact CB-CD1 3.81Å; K51-L139 HydrophobicContact CG-CD1 4.25Å; K51-L139 HydrophobicContact CG-CD2 4.28Å |
| 52 | I | 87.6 | Confident | 91.9 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -116.4 | -5.9 | -169 | 72.4 | 170.3 | 0 | 0 | 0 | 114.5 | L48 C49 T130 L139 | L48-I52 HydrophobicContact CD1-CD1 3.66Å; L48-I52 HydrophobicContact CD1-CG1 4.27Å; L48-I52 HydrophobicContact CD1-CG2 4.47Å; L48-I52 HydrophobicContact CD2-CD1 4.03Å; L48-I52 HydrophobicContact CG-CD1 3.61Å; L48-I52 HydrophobicContact CG-CG1 4.03Å; L48-I52 WeakPolarHBondContact O-CG1 3.47Å; L48-I52 PolarHBondContact O-N 2.8Å; C49-I52 PolarHBondContact O-N 3.26Å; I52-T130 HydrophobicContact CB-CG2 4.18Å; I52-T130 HydrophobicContact CD1-CG2 3.33Å; I52-T130 HydrophobicContact CG1-CG2 3.6Å; I52-L139 HydrophobicContact CG2-CD1 3.9Å |
| 53 | A | 81.1 | Confident | 91.6 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | trans | -132.4 | 83.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | C49 V60 I81 | C49-A53 HydrophobicContact CB-CB 4.46Å; C49-A53 CarbonylContact O-C 3.57Å; C49-A53 WeakPolarHBondContact O-CA 3.48Å; C49-A53 WeakPolarHBondContact O-CB 3.41Å; C49-A53 PolarHBondContact O-N 2.85Å; C49-A53 VanDerWaalsContact O-O 3.13Å; A53-V60 HydrophobicContact CB-CG1 3.76Å; A53-I81 HydrophobicContact CB-CD1 3.7Å | ||
| 54 | G | 76.3 | Confident | 91 | Very high | 35 Ų | 35 | 41.2 Ų | 41.2 | 36% | 0.361 | 22% | 0.216 | S | C | . | . | trans | -80.9 | -178 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E56 S57 | G54-E56 PolarHBondContact O-N 2.84Å; G54-E56 VanDerWaalsContact O-N 3.13Å; G54-S57 WeakPolarHBondContact O-CB 3.45Å; G54-S57 PolarHBondContact O-N 2.85Å | ||
| 55 | P | 76.9 | Confident | 90.2 | Very high | 132 Ų | 132 | 41.8 Ų | 41.8 | 86% | 0.857 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.7 | 178.7 | -25.5 | 34.9 | 0 | 0 | 0 | 114.9 | S57 | P55-S57 VanDerWaalsContact C-N 3.29Š|
| 56 | E | 84 | Confident | 89.7 | Confident | 194 Ų | 194 | 42.5 Ų | 42.5 | 91% | 0.907 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 1.4 | 177.1 | -59.7 | -177 | 170.2 | 0 | 0 | 113.1 | G54 K58 | G54-E56 PolarHBondContact O-N 2.84Å; G54-E56 VanDerWaalsContact O-N 3.13Å; E56-K58 PolarHBondContact O-N 3.11Å |
| 57 | S | 89.7 | Confident | 89.6 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 16% | 0.161 | 23% | 0.232 | C | C | . | . | trans | -62.8 | 134.6 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | G54 P55 G59 | G54-S57 WeakPolarHBondContact O-CB 3.45Å; G54-S57 PolarHBondContact O-N 2.85Å; P55-S57 VanDerWaalsContact C-N 3.29Å; S57-G59 PolarHBondContact O-N 3.5Å; S57-G59 PolarHBondContact OG-N 2.92Å; S57-G59 VanDerWaalsContact OG-N 3.07Å; S57-G59 PolarHBondContact OG-O 2.79Å | ||
| 58 | K | 91.8 | Very high | 89.6 | Confident | 147 Ų | 147 | 41 Ų | 41 | 64% | 0.639 | 22% | 0.222 | S | C | * | . | trans | -69.5 | -8.3 | 170.8 | -64 | -176 | 179.9 | -179.5 | 0 | 112.8 | E56 D127 L129 | E56-K58 PolarHBondContact O-N 3.11Å; K58-D127 VanDerWaalsContact CD-O 3.27Å; K58-D127 WeakPolarHBondContact CD-O 3.43Å; K58-L129 HydrophobicContact CB-CD2 4.26Å; K58-L129 WeakPolarHBondContact O-CD2 3.39Å | ||
| 59 | G | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | 126.2 | 171.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S57 P82 T130 | S57-G59 PolarHBondContact O-N 3.5Å; S57-G59 PolarHBondContact OG-N 2.92Å; S57-G59 VanDerWaalsContact OG-N 3.07Å; S57-G59 PolarHBondContact OG-O 2.79Å; G59-P82 CarbonylContact C-O 3.47Å; G59-P82 WeakPolarHBondContact CA-O 3.36Å; G59-T130 PolarHBondContact O-N 3.4Å | ||
| 60 | V | 96.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 150.2 | 177.7 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | A53 T72 A76 I81 P82 A83 T84 T130 V132 | A53-V60 HydrophobicContact CB-CG1 3.76Å; V60-T72 HydrophobicContact CB-CG2 4.31Å; V60-T72 HydrophobicContact CG2-CG2 3.63Å; V60-A76 HydrophobicContact CG2-CB 3.75Å; V60-I81 HydrophobicContact CG1-CD1 3.91Å; V60-P82 PolarHBondContact N-O 3.27Å; V60-A83 HydrophobicContact CG2-CB 3.95Å; V60-A83 WeakPolarHBondContact O-CA 3.37Å; V60-T84 PolarHBondContact O-N 3.27Å; V60-T130 CarbonylContact C-O 3.52Å; V60-T130 VanDerWaalsContact CA-O 3.27Å; V60-T130 WeakPolarHBondContact CA-O 3.42Å; V60-V132 HydrophobicContact CB-CG2 3.87Å; V60-V132 HydrophobicContact CG1-CG2 4.04Å |
| 61 | V | 96.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.8 | 174.2 | 64.2 | 0 | 0 | 0 | 0 | 111.2 | T84 I86 A120 L123 T124 L129 T130 Y131 V132 | V61-T84 VanDerWaalsContact CA-O 3.25Å; V61-T84 WeakPolarHBondContact CA-O 3.47Å; V61-T84 HydrophobicContact CG2-CG2 4.47Å; V61-I86 HydrophobicContact CG2-CD1 4.34Å; V61-I86 HydrophobicContact CG2-CG1 3.98Å; V61-A120 HydrophobicContact CG2-CB 3.82Å; V61-L123 HydrophobicContact CG2-CD1 4.14Å; V61-T124 HydrophobicContact CG1-CG2 3.78Å; V61-L129 HydrophobicContact CB-CB 4.16Å; V61-L129 HydrophobicContact CB-CD1 3.98Å; V61-L129 HydrophobicContact CG1-CB 3.89Å; V61-L129 HydrophobicContact CG1-CD1 4.49Å; V61-T130 PolarHBondContact N-O 3.27Å; V61-Y131 HydrophobicContact CG1-CD2 4.34Å; V61-Y131 CarbonylContact O-C 3.52Å; V61-Y131 WeakPolarHBondContact O-CA 3.22Å; V61-V132 PolarHBondContact O-N 2.94Å |
| 62 | C | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.7 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | S64 T72 T84 I85 I86 V132 | C62-S64 VanDerWaalsContact C-N 3.33Å; C62-T72 HydrophobicContact CB-CG2 4.02Å; C62-T84 PolarHBondContact N-O 2.89Å; C62-I85 HydrophobicContact CB-CD1 3.87Å; C62-I85 CarbonylContact O-C 3.58Å; C62-I85 WeakPolarHBondContact O-CA 3.36Å; C62-I86 PolarHBondContact O-N 3.24Å; C62-V132 HydrophobicContact CB-CB 4.33Å; C62-V132 PolarHBondContact SG-O 2.94Å; C62-V132 VanDerWaalsContact SG-O 3.38Å |
| 63 | S | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -91.7 | 14.6 | 178.3 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | I86 W113 N117 Y131 | S63-I86 CarbonylContact C-O 3.6Å; S63-I86 VanDerWaalsContact C-O 3.3Å; S63-I86 WeakPolarHBondContact CA-O 3.45Å; S63-W113 VanDerWaalsContact O-CD1 3.22Å; S63-W113 PolarHBondContact O-NE1 2.9Å; S63-N117 PolarHBondContact OG-OD1 3.08Å; S63-Y131 PolarHBondContact OG-OH 2.88Å | ||
| 64 | S | 86.4 | Confident | 91.4 | Very high | 23 Ų | 23 | 31 Ų | 31 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | trans | -110.3 | 119 | -179.6 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | C62 G66 G69 I85 | C62-S64 VanDerWaalsContact C-N 3.33Å; S64-G66 VanDerWaalsContact C-N 3.29Å; S64-G66 PolarHBondContact O-N 3.1Å; S64-G66 PolarHBondContact OG-N 2.99Å; S64-G69 WeakPolarHBondContact O-CA 3.34Å; S64-G69 PolarHBondContact O-N 2.91Å; S64-I85 WeakPolarHBondContact O-CG2 3.31Å | ||
| 65 | G | 79.9 | Confident | 92.4 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 12% | 0.124 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -73.3 | -17.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I95 | G65-I95 WeakPolarHBondContact O-CG2 3.21Š|
| 66 | G | 88.6 | Confident | 93.2 | Very high | 15 Ų | 15 | 23 Ų | 23 | 16% | 0.155 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -87.3 | -145.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S64 A68 G69 M70 | S64-G66 VanDerWaalsContact C-N 3.29Å; S64-G66 PolarHBondContact O-N 3.1Å; S64-G66 PolarHBondContact OG-N 2.99Å; G66-A68 PolarHBondContact O-N 3.48Å; G66-A68 VanDerWaalsContact O-N 3.12Å; G66-G69 PolarHBondContact O-N 2.84Å; G66-M70 PolarHBondContact O-N 3.47Å |
| 67 | N | 94.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 18.4 Ų | 18.4 | 9% | 0.086 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -56.8 | -31.2 | -175.2 | -66 | -42.6 | 0 | 0 | 0 | 114.9 | K41 A71 E268 G307 S308 | K41-N67 HydrophobicContact CG-CB 3.96Å; N67-A71 WeakPolarHBondContact O-CB 3.39Å; N67-A71 PolarHBondContact O-N 2.95Å; N67-E268 PolarHBondContact ND2-OE2 3.3Å; N67-G307 WeakPolarHBondContact OD1-CA 3.4Å; N67-S308 PolarHBondContact OD1-N 3.45Å; N67-S308 PolarHBondContact OD1-OG 2.74Å |
| 68 | A | 95.3 | Very high | 94 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.9 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I45 G66 A71 T72 P134 | I45-A68 HydrophobicContact CD1-CB 3.8Å; I45-A68 WeakPolarHBondContact CD1-O 3.35Å; G66-A68 PolarHBondContact O-N 3.48Å; G66-A68 VanDerWaalsContact O-N 3.12Å; A68-A71 PolarHBondContact O-N 2.6Å; A68-T72 WeakPolarHBondContact O-CB 3.49Å; A68-T72 PolarHBondContact O-N 3.09Å; A68-T72 PolarHBondContact O-OG1 3.08Å; A68-P134 HydrophobicContact CB-CB 3.82Å |
| 69 | G | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S64 G66 A71 T72 A73 L99 | S64-G69 WeakPolarHBondContact O-CA 3.34Å; S64-G69 PolarHBondContact O-N 2.91Å; G66-G69 PolarHBondContact O-N 2.84Å; G69-A71 PolarHBondContact O-N 3.4Å; G69-T72 WeakPolarHBondContact O-CB 3.36Å; G69-T72 PolarHBondContact O-N 3.07Å; G69-A73 WeakPolarHBondContact O-CB 3.41Å; G69-A73 PolarHBondContact O-N 3.2Å; G69-L99 VanDerWaalsContact C-CD2 3.47Å |
| 70 | M | 96.6 | Very high | 94 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 7% | 0.074 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 177.2 | -72.6 | -59 | -59.7 | 0 | 0 | 112.4 | G66 Y74 K98 L99 Q102 | G66-M70 PolarHBondContact O-N 3.47Å; M70-Y74 VanDerWaalsContact O-CB 3.3Å; M70-Y74 WeakPolarHBondContact O-CB 3.26Å; M70-Y74 PolarHBondContact O-N 2.8Å; M70-K98 HydrophobicContact CE-CB 4.16Å; M70-K98 HydrophobicContact SD-CB 3.94Å; M70-L99 HydrophobicContact CG-CD2 4.03Å; M70-L99 HydrophobicContact SD-CD2 3.47Å; M70-L99 WeakPolarHBondContact SD-CD2 3.11Å; M70-L99 HydrophobicContact SD-CG 3.84Å; M70-Q102 HydrophobicContact CE-CG 3.61Å; M70-Q102 HydrophobicContact SD-CG 4.43Å |
| 71 | A | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K41 I42 I45 N67 A68 G69 Y74 V75 | K41-A71 HydrophobicContact CB-CB 3.88Å; I42-A71 HydrophobicContact CB-CB 4.49Å; I42-A71 HydrophobicContact CD1-CB 4.43Å; I45-A71 HydrophobicContact CB-CB 4.22Å; I45-A71 HydrophobicContact CD1-CB 3.81Å; I45-A71 HydrophobicContact CG2-CB 4.26Å; N67-A71 WeakPolarHBondContact O-CB 3.39Å; N67-A71 PolarHBondContact O-N 2.95Å; A68-A71 PolarHBondContact O-N 2.6Å; G69-A71 PolarHBondContact O-N 3.4Å; A71-Y74 PolarHBondContact O-N 3.25Å; A71-V75 WeakPolarHBondContact O-CB 3.48Å; A71-V75 WeakPolarHBondContact O-CG2 3.5Å; A71-V75 PolarHBondContact O-N 3.04Å |
| 72 | T | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -49.9 | 177.4 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | V60 C62 A68 G69 Y74 V75 A76 I85 V132 | V60-T72 HydrophobicContact CB-CG2 4.31Å; V60-T72 HydrophobicContact CG2-CG2 3.63Å; C62-T72 HydrophobicContact CB-CG2 4.02Å; A68-T72 WeakPolarHBondContact O-CB 3.49Å; A68-T72 PolarHBondContact O-N 3.09Å; A68-T72 PolarHBondContact O-OG1 3.08Å; G69-T72 WeakPolarHBondContact O-CB 3.36Å; G69-T72 PolarHBondContact O-N 3.07Å; T72-Y74 PolarHBondContact O-N 2.92Å; T72-V75 PolarHBondContact O-N 3.36Å; T72-A76 WeakPolarHBondContact O-CB 3.47Å; T72-A76 PolarHBondContact O-N 2.97Å; T72-I85 HydrophobicContact CG2-CD1 4.13Å; T72-V132 HydrophobicContact CG2-CB 4.14Å; T72-V132 HydrophobicContact CG2-CG1 4.24Å; T72-V132 HydrophobicContact CG2-CG2 4.05Å; T72-V132 VanDerWaalsContact OG1-CG1 3.31Å; T72-V132 WeakPolarHBondContact OG1-CG1 3.36Å |
| 73 | A | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G69 V75 A76 R77 L99 Q102 A104 | G69-A73 WeakPolarHBondContact O-CB 3.41Å; G69-A73 PolarHBondContact O-N 3.2Å; A73-V75 PolarHBondContact O-N 2.79Å; A73-A76 PolarHBondContact O-N 3.29Å; A73-R77 WeakPolarHBondContact O-CB 3.48Å; A73-R77 PolarHBondContact O-N 3.43Å; A73-L99 HydrophobicContact CB-CD2 4.44Å; A73-Q102 HydrophobicContact CB-CB 3.59Å; A73-Q102 HydrophobicContact CB-CG 4.22Å; A73-A104 HydrophobicContact CB-CB 3.7Å |
| 74 | Y | 96.7 | Very high | 94.2 | Very high | 35 Ų | 35 | 30.3 Ų | 30.3 | 14% | 0.137 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.9 | -48.7 | 175.9 | -179.2 | -81.2 | 0 | 0 | 0 | 111.8 | P36 I42 M70 A71 T72 R77 K78 | P36-Y74 HydrophobicContact CB-CD1 4.5Å; P36-Y74 HydrophobicContact CB-CD2 4.22Å; P36-Y74 HydrophobicContact CB-CE1 3.83Å; P36-Y74 HydrophobicContact CB-CE2 3.5Å; P36-Y74 WeakPolarHBondContact CB-OH 3.44Å; I42-Y74 HydrophobicContact CD1-CD1 3.67Å; I42-Y74 HydrophobicContact CD1-CE1 4.32Å; I42-Y74 HydrophobicContact CD1-CG 4.41Å; M70-Y74 VanDerWaalsContact O-CB 3.3Å; M70-Y74 WeakPolarHBondContact O-CB 3.26Å; M70-Y74 PolarHBondContact O-N 2.8Å; A71-Y74 PolarHBondContact O-N 3.25Å; T72-Y74 PolarHBondContact O-N 2.92Å; Y74-R77 PolarHBondContact O-N 3.47Å; Y74-K78 HydrophobicContact CD1-CG 4.09Å; Y74-K78 HydrophobicContact CE1-CD 4.47Å; Y74-K78 HydrophobicContact CE1-CG 3.62Å; Y74-K78 WeakPolarHBondContact O-CG 3.26Å; Y74-K78 PolarHBondContact O-N 2.99Å; Y74-K78 VanDerWaalsContact O-N 3.09Å; Y74-K78 WeakPolarHBondContact OH-CE 3.28Å |
| 75 | V | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | -177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | F7 I42 I45 C49 A71 T72 A73 R77 K78 L79 | F7-V75 HydrophobicContact CB-CG2 4.21Å; F7-V75 HydrophobicContact CD2-CB 4.49Å; F7-V75 HydrophobicContact CD2-CG1 3.73Å; F7-V75 HydrophobicContact CD2-CG2 4.05Å; F7-V75 HydrophobicContact CE2-CG1 3.57Å; F7-V75 HydrophobicContact CG-CG1 4.38Å; F7-V75 HydrophobicContact CG-CG2 4.17Å; F7-V75 HydrophobicContact CZ-CG1 4.19Å; I42-V75 HydrophobicContact CD1-CG2 3.2Å; I45-V75 HydrophobicContact CG2-CG2 4.46Å; C49-V75 HydrophobicContact CB-CG1 3.47Å; C49-V75 VanDerWaalsContact CB-CG1 3.47Å; A71-V75 WeakPolarHBondContact O-CB 3.48Å; A71-V75 WeakPolarHBondContact O-CG2 3.5Å; A71-V75 PolarHBondContact O-N 3.04Å; T72-V75 PolarHBondContact O-N 3.36Å; A73-V75 PolarHBondContact O-N 2.79Å; V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 3.06Å; V75-K78 CarbonylContact O-C 3.52Å; V75-K78 PolarHBondContact O-N 3.36Å; V75-L79 HydrophobicContact CG1-CD1 3.73Å; V75-L79 HydrophobicContact CG1-CG 4.31Å; V75-L79 PolarHBondContact O-N 3.44Å |
| 76 | A | 95.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.3 | -44.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V60 T72 A73 K78 L79 N80 I81 A83 | V60-A76 HydrophobicContact CG2-CB 3.75Å; T72-A76 WeakPolarHBondContact O-CB 3.47Å; T72-A76 PolarHBondContact O-N 2.97Å; A73-A76 PolarHBondContact O-N 3.29Å; A76-K78 VanDerWaalsContact C-N 3.32Å; A76-K78 PolarHBondContact O-N 3.42Å; A76-L79 CarbonylContact O-C 3.49Å; A76-L79 PolarHBondContact O-N 3.14Å; A76-L79 VanDerWaalsContact O-N 3.13Å; A76-N80 PolarHBondContact O-N 2.92Å; A76-I81 CarbonylContact C-O 3.56Å; A76-I81 HydrophobicContact CB-CG1 3.95Å; A76-I81 PolarHBondContact O-N 3.38Å; A76-A83 HydrophobicContact CB-CB 3.46Å; A76-A83 VanDerWaalsContact CB-CB 3.46Å |
| 77 | R | 95.1 | Very high | 95.6 | Very high | 97 Ų | 97 | 27.9 Ų | 27.9 | 37% | 0.366 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 173.2 | -174.1 | -173.7 | 61.2 | -153.8 | -11.9 | 112 | A73 Y74 V75 L79 N80 Q102 | A73-R77 WeakPolarHBondContact O-CB 3.48Å; A73-R77 PolarHBondContact O-N 3.43Å; Y74-R77 PolarHBondContact O-N 3.47Å; V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 3.06Å; R77-L79 VanDerWaalsContact C-N 3.29Å; R77-L79 PolarHBondContact O-N 3.23Å; R77-N80 PolarHBondContact O-N 3.49Å; R77-N80 PolarHBondContact O-OD1 3.07Å; R77-Q102 WeakPolarHBondContact CD-O 3.41Å |
| 78 | K | 94.6 | Very high | 95.1 | Very high | 113 Ų | 113 | 27.7 Ų | 27.7 | 49% | 0.491 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -69.5 | -26.6 | 177.6 | -70.5 | -60.8 | -172.5 | -175 | 0 | 113.5 | F7 Y74 V75 A76 N80 | F7-K78 HydrophobicContact CD1-CB 3.89Å; F7-K78 HydrophobicContact CD1-CG 4.39Å; F7-K78 HydrophobicContact CE1-CB 3.63Å; Y74-K78 HydrophobicContact CD1-CG 4.09Å; Y74-K78 HydrophobicContact CE1-CD 4.47Å; Y74-K78 HydrophobicContact CE1-CG 3.62Å; Y74-K78 WeakPolarHBondContact O-CG 3.26Å; Y74-K78 PolarHBondContact O-N 2.99Å; Y74-K78 VanDerWaalsContact O-N 3.09Å; Y74-K78 WeakPolarHBondContact OH-CE 3.28Å; V75-K78 CarbonylContact O-C 3.52Å; V75-K78 PolarHBondContact O-N 3.36Å; A76-K78 VanDerWaalsContact C-N 3.32Å; A76-K78 PolarHBondContact O-N 3.42Å; K78-N80 VanDerWaalsContact C-N 3.33Å |
| 79 | L | 92.8 | Very high | 94.7 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 25% | 0.246 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -84.7 | -5.9 | 173.4 | -75.5 | 171.8 | 0 | 0 | 0 | 113.1 | F7 C49 V75 A76 R77 I81 | F7-L79 HydrophobicContact CE1-CG 4.43Å; F7-L79 HydrophobicContact CE2-CD1 4.24Å; F7-L79 HydrophobicContact CE2-CD2 4.25Å; F7-L79 HydrophobicContact CE2-CG 4.12Å; F7-L79 HydrophobicContact CZ-CD1 4.18Å; F7-L79 HydrophobicContact CZ-CD2 3.56Å; F7-L79 HydrophobicContact CZ-CG 3.57Å; C49-L79 HydrophobicContact CB-CD1 4.01Å; V75-L79 HydrophobicContact CG1-CD1 3.73Å; V75-L79 HydrophobicContact CG1-CG 4.31Å; V75-L79 PolarHBondContact O-N 3.44Å; A76-L79 CarbonylContact O-C 3.49Å; A76-L79 PolarHBondContact O-N 3.14Å; A76-L79 VanDerWaalsContact O-N 3.13Å; R77-L79 VanDerWaalsContact C-N 3.29Å; R77-L79 PolarHBondContact O-N 3.23Å; L79-I81 HydrophobicContact CB-CD1 4.14Å; L79-I81 HydrophobicContact CB-CG1 3.92Å; L79-I81 HydrophobicContact CB-CG2 4.32Å; L79-I81 HydrophobicContact CD1-CD1 4Å; L79-I81 PolarHBondContact O-N 2.97Å |
| 80 | N | 93.1 | Very high | 93.8 | Very high | 152 Ų | 152 | 34.8 Ų | 34.8 | 81% | 0.813 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 38.2 | -170.7 | -60.2 | -43.8 | 0 | 0 | 0 | 113.1 | A76 R77 K78 | A76-N80 PolarHBondContact O-N 2.92Å; R77-N80 PolarHBondContact O-N 3.49Å; R77-N80 PolarHBondContact O-OD1 3.07Å; K78-N80 VanDerWaalsContact C-N 3.33Å |
| 81 | I | 94.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | trans | -115.4 | 153.6 | 174.1 | 65.7 | 178.4 | 0 | 0 | 0 | 110.4 | A53 V60 A76 L79 | A53-I81 HydrophobicContact CB-CD1 3.7Å; V60-I81 HydrophobicContact CG1-CD1 3.91Å; A76-I81 CarbonylContact C-O 3.56Å; A76-I81 HydrophobicContact CB-CG1 3.95Å; A76-I81 PolarHBondContact O-N 3.38Å; L79-I81 HydrophobicContact CB-CD1 4.14Å; L79-I81 HydrophobicContact CB-CG1 3.92Å; L79-I81 HydrophobicContact CB-CG2 4.32Å; L79-I81 HydrophobicContact CD1-CD1 4Å; L79-I81 PolarHBondContact O-N 2.97Å | ||
| 82 | P | 96.1 | Very high | 92.5 | Very high | 78 Ų | 78 | 37.9 Ų | 37.9 | 51% | 0.506 | 21% | 0.21 | S | C | . | . | trans | -62.8 | 141.8 | 175.3 | -21.4 | 33.2 | 0 | 0 | 0 | 112.1 | G59 V60 | G59-P82 CarbonylContact C-O 3.47Å; G59-P82 WeakPolarHBondContact CA-O 3.36Å; V60-P82 PolarHBondContact N-O 3.27Å | ||
| 83 | A | 97.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V60 A76 A104 T105 | V60-A83 HydrophobicContact CG2-CB 3.95Å; V60-A83 WeakPolarHBondContact O-CA 3.37Å; A76-A83 HydrophobicContact CB-CB 3.46Å; A76-A83 VanDerWaalsContact CB-CB 3.46Å; A83-A104 HydrophobicContact CB-CB 4.01Å; A83-A104 WeakPolarHBondContact O-CA 3.24Å; A83-T105 PolarHBondContact O-N 2.81Å |
| 84 | T | 97.5 | Very high | 91.4 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.9 | 169.7 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | V60 V61 C62 I86 T105 R107 L123 | V60-T84 PolarHBondContact O-N 3.27Å; V61-T84 VanDerWaalsContact CA-O 3.25Å; V61-T84 WeakPolarHBondContact CA-O 3.47Å; V61-T84 HydrophobicContact CG2-CG2 4.47Å; C62-T84 PolarHBondContact N-O 2.89Å; T84-I86 HydrophobicContact CG2-CD1 3.63Å; T84-T105 CarbonylContact C-O 3.49Å; T84-T105 WeakPolarHBondContact CA-O 3.43Å; T84-R107 HydrophobicContact CG2-CG 4.08Å; T84-L123 HydrophobicContact CG2-CD1 4.31Å |
| 85 | I | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.6 | 178.7 | -48.9 | -64.2 | 0 | 0 | 0 | 108.1 | C62 S64 T72 V87 L99 A104 T105 V106 R107 | C62-I85 HydrophobicContact CB-CD1 3.87Å; C62-I85 CarbonylContact O-C 3.58Å; C62-I85 WeakPolarHBondContact O-CA 3.36Å; S64-I85 WeakPolarHBondContact O-CG2 3.31Å; T72-I85 HydrophobicContact CG2-CD1 4.13Å; I85-V87 HydrophobicContact CG2-CG1 4Å; I85-L99 HydrophobicContact CB-CD1 4.31Å; I85-L99 HydrophobicContact CG1-CD2 4.2Å; I85-L99 HydrophobicContact CG2-CD1 3.79Å; I85-L99 HydrophobicContact CG2-CD2 4.29Å; I85-A104 HydrophobicContact CG1-CB 3.84Å; I85-T105 PolarHBondContact N-O 3.43Å; I85-V106 WeakPolarHBondContact O-CA 3.24Å; I85-R107 PolarHBondContact O-N 3.28Å |
| 86 | I | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.3 | 177.7 | -42 | -59.1 | 0 | 0 | 0 | 108.2 | V61 C62 S63 T84 R107 V109 A116 E119 A120 L123 | V61-I86 HydrophobicContact CG2-CD1 4.34Å; V61-I86 HydrophobicContact CG2-CG1 3.98Å; C62-I86 PolarHBondContact O-N 3.24Å; S63-I86 CarbonylContact C-O 3.6Å; S63-I86 VanDerWaalsContact C-O 3.3Å; S63-I86 WeakPolarHBondContact CA-O 3.45Å; T84-I86 HydrophobicContact CG2-CD1 3.63Å; I86-R107 WeakPolarHBondContact CA-O 3.31Å; I86-R107 HydrophobicContact CD1-CB 3.74Å; I86-R107 HydrophobicContact CD1-CG 4.19Å; I86-V109 HydrophobicContact CG2-CB 3.8Å; I86-V109 HydrophobicContact CG2-CG2 4.03Å; I86-A116 HydrophobicContact CB-CB 4.24Å; I86-A116 HydrophobicContact CG2-CB 3.71Å; I86-A116 WeakPolarHBondContact CG2-O 3.37Å; I86-E119 HydrophobicContact CD1-CG 4.27Å; I86-E119 HydrophobicContact CG1-CG 4.43Å; I86-E119 HydrophobicContact CG2-CB 4.26Å; I86-E119 HydrophobicContact CG2-CG 4.22Å; I86-A120 HydrophobicContact CG1-CB 4.01Å; I86-L123 HydrophobicContact CD1-CD1 3.73Å; I86-L123 HydrophobicContact CG1-CD1 4.45Å |
| 87 | V | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 145.3 | -178.9 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | I85 S91 R96 L99 V106 R107 V108 V109 | I85-V87 HydrophobicContact CG2-CG1 4Å; V87-S91 WeakPolarHBondContact CB-OG 3.35Å; V87-R96 HydrophobicContact CG2-CG 4.35Å; V87-L99 HydrophobicContact CG1-CD1 4.28Å; V87-V106 HydrophobicContact CG1-CG1 4.36Å; V87-V106 HydrophobicContact CG2-CG1 3.7Å; V87-R107 PolarHBondContact N-O 2.94Å; V87-V108 HydrophobicContact CG2-CG2 3.99Å; V87-V108 CarbonylContact O-C 3.5Å; V87-V108 VanDerWaalsContact O-CA 3.25Å; V87-V108 WeakPolarHBondContact O-CA 3.18Å; V87-V109 PolarHBondContact O-N 3.33Å |
| 88 | P | 86.1 | Confident | 90.3 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 8% | 0.078 | 27% | 0.265 | C | S | . | . | trans | -70.7 | 159.6 | 172.4 | 28.2 | -35.1 | 0 | 0 | 0 | 111.5 | S90 S91 | P88-S90 PolarHBondContact O-N 2.95Å; P88-S90 VanDerWaalsContact O-N 3.08Å; P88-S91 VanDerWaalsContact CD-OG 3.29Å; P88-S91 WeakPolarHBondContact CD-OG 3.41Å; P88-S91 WeakPolarHBondContact CG-OG 3.37Å; P88-S91 VanDerWaalsContact O-CB 3.28Å; P88-S91 WeakPolarHBondContact O-CB 3.43Å; P88-S91 PolarHBondContact O-N 2.77Å; P88-S91 PolarHBondContact O-OG 2.94Å | ||
| 89 | S | 84.9 | Confident | 90.3 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 44% | 0.441 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22 | 178.5 | 66.8 | 0 | 0 | 0 | 0 | 114.3 | S91 R96 V108 G110 | S89-S91 VanDerWaalsContact C-N 3.27Å; S89-S91 PolarHBondContact O-N 2.69Å; S89-R96 PolarHBondContact O-NH2 3.42Å; S89-V108 VanDerWaalsContact CA-CG1 3.5Å; S89-G110 PolarHBondContact N-O 2.71Å; S89-G110 PolarHBondContact OG-O 3.43Å |
| 90 | S | 78.7 | Confident | 90.4 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 60% | 0.601 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.1 | 175.2 | 52.2 | 0 | 0 | 0 | 0 | 114 | P88 K111 | P88-S90 PolarHBondContact O-N 2.95Å; P88-S90 VanDerWaalsContact O-N 3.08Å; S90-K111 PolarHBondContact OG-O 3.13Å |
| 91 | S | 81.8 | Confident | 90.5 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -65.8 | 127.6 | -178.5 | -58.8 | 0 | 0 | 0 | 0 | 111 | V87 P88 S89 R96 | V87-S91 WeakPolarHBondContact CB-OG 3.35Å; P88-S91 VanDerWaalsContact CD-OG 3.29Å; P88-S91 WeakPolarHBondContact CD-OG 3.41Å; P88-S91 WeakPolarHBondContact CG-OG 3.37Å; P88-S91 VanDerWaalsContact O-CB 3.28Å; P88-S91 WeakPolarHBondContact O-CB 3.43Å; P88-S91 PolarHBondContact O-N 2.77Å; P88-S91 PolarHBondContact O-OG 2.94Å; S89-S91 VanDerWaalsContact C-N 3.27Å; S89-S91 PolarHBondContact O-N 2.69Å; S91-R96 PolarHBondContact O-NE 2.84Å; S91-R96 PolarHBondContact O-NH2 3.03Å |
| 92 | P | 83.3 | Confident | 90.5 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | trans | -55.7 | 140.1 | 178.8 | -26.3 | 32.5 | 0 | 0 | 0 | 113.1 | L94 I95 R96 | P92-L94 PolarHBondContact O-N 3.48Å; P92-I95 HydrophobicContact CB-CD1 4.38Å; P92-I95 HydrophobicContact CB-CG1 4.27Å; P92-I95 HydrophobicContact CG-CD1 4.08Å; P92-I95 WeakPolarHBondContact O-CB 3.28Å; P92-I95 PolarHBondContact O-N 2.91Å; P92-R96 PolarHBondContact O-N 2.78Å | ||
| 93 | E | 85.9 | Confident | 90.4 | Very high | 90 Ų | 90 | 43.8 Ų | 43.8 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.9 | -36.2 | -178.6 | -165.5 | 59.2 | -137.8 | 0 | 0 | 112.2 | I95 R96 E97 K100 | E93-I95 PolarHBondContact O-N 2.64Å; E93-R96 WeakPolarHBondContact O-CA 3.49Å; E93-R96 WeakPolarHBondContact O-CB 3.46Å; E93-R96 PolarHBondContact O-N 3.17Å; E93-R96 WeakPolarHBondContact OE2-CD 3.44Å; E93-R96 IonicContact OE2-CZ 3.49Å; E93-R96 IonicContact OE2-NE 3.67Å; E93-R96 IonicContact OE2-NH1 3.45Å; E93-R96 PolarHBondContact OE2-NH1 3.42Å; E93-E97 HydrophobicContact CG-CG 4.45Å; E93-E97 PolarHBondContact O-N 3.16Å; E93-K100 IonicContact OE1-NZ 3.29Å |
| 94 | L | 85.8 | Confident | 90.5 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.366 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -53.8 | -39 | 175 | 178.5 | 66.5 | 0 | 0 | 0 | 112.7 | P92 K98 N311 | P92-L94 PolarHBondContact O-N 3.48Å; L94-K98 WeakPolarHBondContact O-CG 3.39Å; L94-K98 PolarHBondContact O-N 3.36Å; L94-K98 VanDerWaalsContact O-N 3.1Å; L94-N311 WeakPolarHBondContact CD2-ND2 3.49Å |
| 95 | I | 85.9 | Confident | 90.4 | Very high | 22 Ų | 22 | 47 Ų | 47 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.8 | -40.8 | 179 | -64.1 | -176.1 | 0 | 0 | 0 | 110 | G65 P92 E93 K98 L99 | G65-I95 WeakPolarHBondContact O-CG2 3.21Å; P92-I95 HydrophobicContact CB-CD1 4.38Å; P92-I95 HydrophobicContact CB-CG1 4.27Å; P92-I95 HydrophobicContact CG-CD1 4.08Å; P92-I95 WeakPolarHBondContact O-CB 3.28Å; P92-I95 PolarHBondContact O-N 2.91Å; E93-I95 PolarHBondContact O-N 2.64Å; I95-K98 PolarHBondContact O-N 2.92Å; I95-L99 HydrophobicContact CG2-CD1 4.23Å; I95-L99 WeakPolarHBondContact O-CG 3.4Å; I95-L99 PolarHBondContact O-N 2.84Å; I95-L99 VanDerWaalsContact O-N 3.09Å |
| 96 | R | 91.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 48.3 Ų | 48.3 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 177.8 | -54.8 | -179.6 | -154.3 | 173.4 | -7.4 | 111.1 | V87 S89 S91 P92 E93 L99 K100 V106 | V87-R96 HydrophobicContact CG2-CG 4.35Å; S89-R96 PolarHBondContact O-NH2 3.42Å; S91-R96 PolarHBondContact O-NE 2.84Å; S91-R96 PolarHBondContact O-NH2 3.03Å; P92-R96 PolarHBondContact O-N 2.78Å; E93-R96 WeakPolarHBondContact O-CA 3.49Å; E93-R96 WeakPolarHBondContact O-CB 3.46Å; E93-R96 PolarHBondContact O-N 3.17Å; E93-R96 WeakPolarHBondContact OE2-CD 3.44Å; E93-R96 IonicContact OE2-CZ 3.49Å; E93-R96 IonicContact OE2-NE 3.67Å; E93-R96 IonicContact OE2-NH1 3.45Å; E93-R96 PolarHBondContact OE2-NH1 3.42Å; R96-L99 PolarHBondContact O-N 3.29Å; R96-K100 WeakPolarHBondContact O-CG 3.39Å; R96-K100 PolarHBondContact O-N 3.13Å; R96-V106 HydrophobicContact CB-CG1 4.22Å; R96-V106 HydrophobicContact CG-CG1 4.26Å |
| 97 | E | 91.8 | Very high | 90.4 | Very high | 78 Ų | 78 | 52.8 Ų | 52.8 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.1 | -69 | -54.2 | 133.8 | 0 | 0 | 111.6 | E93 L99 K100 D101 | E93-E97 HydrophobicContact CG-CG 4.45Å; E93-E97 PolarHBondContact O-N 3.16Å; E97-L99 PolarHBondContact O-N 3.5Å; E97-K100 CarbonylContact O-C 3.45Å; E97-K100 WeakPolarHBondContact O-CA 3.43Å; E97-K100 WeakPolarHBondContact O-CB 3.33Å; E97-K100 PolarHBondContact O-N 3.35Å; E97-K100 IonicContact OE1-NZ 3.43Å; E97-K100 PolarHBondContact OE1-NZ 3.34Å; E97-D101 PolarHBondContact O-N 3.16Å |
| 98 | K | 91.6 | Very high | 90.5 | Very high | 58 Ų | 58 | 56 Ų | 56 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.3 | -36.1 | 175.5 | -76.5 | -177.8 | 179.3 | -172.4 | 0 | 113.2 | M70 L94 I95 Q102 S308 | M70-K98 HydrophobicContact CE-CB 4.16Å; M70-K98 HydrophobicContact SD-CB 3.94Å; L94-K98 WeakPolarHBondContact O-CG 3.39Å; L94-K98 PolarHBondContact O-N 3.36Å; L94-K98 VanDerWaalsContact O-N 3.1Å; I95-K98 PolarHBondContact O-N 2.92Å; K98-Q102 WeakPolarHBondContact O-CG 3.43Å; K98-Q102 PolarHBondContact O-N 3.17Å; K98-S308 PolarHBondContact NZ-O 3.45Å |
| 99 | L | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.4 | -41.2 | 175.3 | -67.9 | 163.6 | 0 | 0 | 0 | 111.5 | G69 M70 A73 I85 V87 I95 R96 E97 D101 Q102 A104 V106 | G69-L99 VanDerWaalsContact C-CD2 3.47Å; M70-L99 HydrophobicContact CG-CD2 4.03Å; M70-L99 HydrophobicContact SD-CD2 3.47Å; M70-L99 WeakPolarHBondContact SD-CD2 3.11Å; M70-L99 HydrophobicContact SD-CG 3.84Å; A73-L99 HydrophobicContact CB-CD2 4.44Å; I85-L99 HydrophobicContact CB-CD1 4.31Å; I85-L99 HydrophobicContact CG1-CD2 4.2Å; I85-L99 HydrophobicContact CG2-CD1 3.79Å; I85-L99 HydrophobicContact CG2-CD2 4.29Å; V87-L99 HydrophobicContact CG1-CD1 4.28Å; I95-L99 HydrophobicContact CG2-CD1 4.23Å; I95-L99 WeakPolarHBondContact O-CG 3.4Å; I95-L99 PolarHBondContact O-N 2.84Å; I95-L99 VanDerWaalsContact O-N 3.09Å; R96-L99 PolarHBondContact O-N 3.29Å; E97-L99 PolarHBondContact O-N 3.5Å; L99-D101 VanDerWaalsContact C-N 3.33Å; L99-D101 PolarHBondContact O-N 3.48Å; L99-Q102 WeakPolarHBondContact O-CB 3.42Å; L99-Q102 PolarHBondContact O-N 3.01Å; L99-Q102 VanDerWaalsContact O-N 3.11Å; L99-A104 WeakPolarHBondContact O-CB 3.47Å; L99-A104 PolarHBondContact O-N 3.48Å; L99-V106 HydrophobicContact CB-CG2 3.57Å; L99-V106 HydrophobicContact CD1-CG2 4.22Å |
| 100 | K | 95.5 | Very high | 90.7 | Very high | 85 Ų | 85 | 56 Ų | 56 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 174.8 | -67 | 171 | -163.8 | 166.2 | 0 | 111.8 | E93 R96 E97 Q102 G103 V106 | E93-K100 IonicContact OE1-NZ 3.29Å; R96-K100 WeakPolarHBondContact O-CG 3.39Å; R96-K100 PolarHBondContact O-N 3.13Å; E97-K100 CarbonylContact O-C 3.45Å; E97-K100 WeakPolarHBondContact O-CA 3.43Å; E97-K100 WeakPolarHBondContact O-CB 3.33Å; E97-K100 PolarHBondContact O-N 3.35Å; E97-K100 IonicContact OE1-NZ 3.43Å; E97-K100 PolarHBondContact OE1-NZ 3.34Å; K100-Q102 PolarHBondContact O-N 2.92Å; K100-G103 WeakPolarHBondContact O-CA 3.29Å; K100-G103 PolarHBondContact O-N 3.42Å; K100-V106 HydrophobicContact CG-CB 4.45Å; K100-V106 HydrophobicContact CG-CG2 3.87Å |
| 101 | D | 94.2 | Very high | 90.6 | Very high | 117 Ų | 117 | 59.8 Ų | 59.8 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.9 | -24.7 | 174.1 | -69.2 | -22.5 | 0 | 0 | 0 | 112.6 | E97 L99 G103 | E97-D101 PolarHBondContact O-N 3.16Å; L99-D101 VanDerWaalsContact C-N 3.33Å; L99-D101 PolarHBondContact O-N 3.48Å; D101-G103 PolarHBondContact O-N 2.69Å |
| 102 | Q | 94.7 | Very high | 90.2 | Very high | 36 Ų | 36 | 62.6 Ų | 62.6 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -0.4 | 170.9 | -59.4 | -60.7 | -41.9 | 0 | 0 | 113.1 | M70 A73 R77 K98 L99 K100 | M70-Q102 HydrophobicContact CE-CG 3.61Å; M70-Q102 HydrophobicContact SD-CG 4.43Å; A73-Q102 HydrophobicContact CB-CB 3.59Å; A73-Q102 HydrophobicContact CB-CG 4.22Å; R77-Q102 WeakPolarHBondContact CD-O 3.41Å; K98-Q102 WeakPolarHBondContact O-CG 3.43Å; K98-Q102 PolarHBondContact O-N 3.17Å; L99-Q102 WeakPolarHBondContact O-CB 3.42Å; L99-Q102 PolarHBondContact O-N 3.01Å; L99-Q102 VanDerWaalsContact O-N 3.11Å; K100-Q102 PolarHBondContact O-N 2.92Å |
| 103 | G | 95.4 | Very high | 90 | Very high | 63 Ų | 63 | 64.6 Ų | 64.6 | 65% | 0.649 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 13.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | K100 D101 | K100-G103 WeakPolarHBondContact O-CA 3.29Å; K100-G103 PolarHBondContact O-N 3.42Å; D101-G103 PolarHBondContact O-N 2.69Å |
| 104 | A | 97.3 | Very high | 89.6 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -83 | 145.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A73 A83 I85 L99 V106 | A73-A104 HydrophobicContact CB-CB 3.7Å; A83-A104 HydrophobicContact CB-CB 4.01Å; A83-A104 WeakPolarHBondContact O-CA 3.24Å; I85-A104 HydrophobicContact CG1-CB 3.84Å; L99-A104 WeakPolarHBondContact O-CB 3.47Å; L99-A104 PolarHBondContact O-N 3.48Å; A104-V106 PolarHBondContact O-N 2.83Å |
| 105 | T | 97.4 | Very high | 89.4 | Confident | 78 Ų | 78 | 64.2 Ų | 64.2 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 116.3 | 165.7 | -62.5 | 0 | 0 | 0 | 0 | 108.7 | A83 T84 I85 R107 | A83-T105 PolarHBondContact O-N 2.81Å; T84-T105 CarbonylContact C-O 3.49Å; T84-T105 WeakPolarHBondContact CA-O 3.43Å; I85-T105 PolarHBondContact N-O 3.43Å; T105-R107 HydrophobicContact CG2-CG 4.27Å |
| 106 | V | 96.8 | Very high | 89.5 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | I85 V87 R96 L99 K100 A104 | I85-V106 WeakPolarHBondContact O-CA 3.24Å; V87-V106 HydrophobicContact CG1-CG1 4.36Å; V87-V106 HydrophobicContact CG2-CG1 3.7Å; R96-V106 HydrophobicContact CB-CG1 4.22Å; R96-V106 HydrophobicContact CG-CG1 4.26Å; L99-V106 HydrophobicContact CB-CG2 3.57Å; L99-V106 HydrophobicContact CD1-CG2 4.22Å; K100-V106 HydrophobicContact CG-CB 4.45Å; K100-V106 HydrophobicContact CG-CG2 3.87Å; A104-V106 PolarHBondContact O-N 2.83Å |
| 107 | R | 95.1 | Very high | 89.3 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.3 | 173.5 | -62.1 | -174 | 176.2 | -178.5 | 2.9 | 109.6 | T84 I85 I86 V87 T105 V109 | T84-R107 HydrophobicContact CG2-CG 4.08Å; I85-R107 PolarHBondContact O-N 3.28Å; I86-R107 WeakPolarHBondContact CA-O 3.31Å; I86-R107 HydrophobicContact CD1-CB 3.74Å; I86-R107 HydrophobicContact CD1-CG 4.19Å; V87-R107 PolarHBondContact N-O 2.94Å; T105-R107 HydrophobicContact CG2-CG 4.27Å; R107-V109 HydrophobicContact CB-CG2 4.32Å |
| 108 | V | 93.4 | Very high | 89.2 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 42% | 0.418 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 111.5 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | V87 S89 | V87-V108 HydrophobicContact CG2-CG2 3.99Å; V87-V108 CarbonylContact O-C 3.5Å; V87-V108 VanDerWaalsContact O-CA 3.25Å; V87-V108 WeakPolarHBondContact O-CA 3.18Å; S89-V108 VanDerWaalsContact CA-CG1 3.5Å |
| 109 | V | 90.1 | Very high | 89.2 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 26% | 0.261 | 34% | 0.337 | S | S | . | . | trans | -134.5 | 129 | -178 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | I86 V87 R107 E119 | I86-V109 HydrophobicContact CG2-CB 3.8Å; I86-V109 HydrophobicContact CG2-CG2 4.03Å; V87-V109 PolarHBondContact O-N 3.33Å; R107-V109 HydrophobicContact CB-CG2 4.32Å; V109-E119 HydrophobicContact CB-CB 4.37Å; V109-E119 HydrophobicContact CB-CG 4.37Å; V109-E119 HydrophobicContact CG1-CB 3.9Å; V109-E119 HydrophobicContact CG1-CG 4.17Å; V109-E119 HydrophobicContact CG2-CG 4.07Å | ||
| 110 | G | 83.4 | Confident | 89.1 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | trans | 70.2 | -176.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S89 D115 | S89-G110 PolarHBondContact N-O 2.71Å; S89-G110 PolarHBondContact OG-O 3.43Å; G110-D115 VanDerWaalsContact CA-OD2 3.24Å; G110-D115 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 111 | K | 76.8 | Confident | 89 | Confident | 166 Ų | 166 | 61.3 Ų | 61.3 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -105.3 | -25.8 | -178.6 | -65.3 | -178.5 | -179 | 178 | 0 | 111.9 | S90 D115 | S90-K111 PolarHBondContact OG-O 3.13Å; K111-D115 PolarHBondContact N-OD2 2.96Å |
| 112 | V | 73.8 | Confident | 89 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -122.1 | 165.9 | -177.8 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | D114 D115 | V112-D114 VanDerWaalsContact C-N 3.28Å; V112-D114 HydrophobicContact CG2-CB 4.29Å; V112-D114 PolarHBondContact O-N 3.48Å; V112-D115 WeakPolarHBondContact CG2-OD2 3.28Å; V112-D115 PolarHBondContact N-OD2 3.02Å; V112-D115 PolarHBondContact O-N 2.83Å |
| 113 | W | 79.8 | Confident | 89 | Confident | 107 Ų | 107 | 58.9 Ų | 58.9 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -35.1 | -179 | -179.8 | 80.5 | 0 | 0 | 0 | 113 | S63 D115 A116 N117 | S63-W113 VanDerWaalsContact O-CD1 3.22Å; S63-W113 PolarHBondContact O-NE1 2.9Å; W113-D115 VanDerWaalsContact C-N 3.34Å; W113-D115 PolarHBondContact O-N 2.95Å; W113-A116 WeakPolarHBondContact O-CB 3.49Å; W113-A116 PolarHBondContact O-N 3.38Å; W113-A116 VanDerWaalsContact O-N 3.09Å; W113-N117 HydrophobicContact CD2-CB 4.47Å; W113-N117 HydrophobicContact CE3-CB 4.29Å; W113-N117 HydrophobicContact CH2-CB 3.88Å; W113-N117 HydrophobicContact CZ2-CB 4.05Å; W113-N117 HydrophobicContact CZ3-CB 4Å; W113-N117 PolarHBondContact O-N 2.81Å |
| 114 | D | 76.9 | Confident | 88.8 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 47% | 0.465 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 179.6 | -62.5 | -38.2 | 0 | 0 | 0 | 111.6 | V112 A116 N117 D118 | V112-D114 VanDerWaalsContact C-N 3.28Å; V112-D114 HydrophobicContact CG2-CB 4.29Å; V112-D114 PolarHBondContact O-N 3.48Å; D114-A116 VanDerWaalsContact C-N 3.3Å; D114-A116 PolarHBondContact O-N 3.07Å; D114-N117 WeakPolarHBondContact O-CB 3.3Å; D114-N117 PolarHBondContact O-N 3.04Å; D114-D118 PolarHBondContact O-N 3.39Å |
| 115 | D | 82.1 | Confident | 88.6 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 175 | -57.1 | -31.1 | 0 | 0 | 0 | 112 | G110 K111 V112 W113 N117 E119 | G110-D115 VanDerWaalsContact CA-OD2 3.24Å; G110-D115 WeakPolarHBondContact CA-OD2 3.46Å; K111-D115 PolarHBondContact N-OD2 2.96Å; V112-D115 WeakPolarHBondContact CG2-OD2 3.28Å; V112-D115 PolarHBondContact N-OD2 3.02Å; V112-D115 PolarHBondContact O-N 2.83Å; W113-D115 VanDerWaalsContact C-N 3.34Å; W113-D115 PolarHBondContact O-N 2.95Å; D115-N117 VanDerWaalsContact C-N 3.3Å; D115-E119 PolarHBondContact O-N 2.86Å; D115-E119 VanDerWaalsContact O-N 3.13Å |
| 116 | A | 86.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.4 | -33.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I86 W113 D114 A120 | I86-A116 HydrophobicContact CB-CB 4.24Å; I86-A116 HydrophobicContact CG2-CB 3.71Å; I86-A116 WeakPolarHBondContact CG2-O 3.37Å; W113-A116 WeakPolarHBondContact O-CB 3.49Å; W113-A116 PolarHBondContact O-N 3.38Å; W113-A116 VanDerWaalsContact O-N 3.09Å; D114-A116 VanDerWaalsContact C-N 3.3Å; D114-A116 PolarHBondContact O-N 3.07Å; A116-A120 WeakPolarHBondContact O-CB 3.17Å; A116-A120 PolarHBondContact O-N 3.04Å; A116-A120 VanDerWaalsContact O-N 3.09Å |
| 117 | N | 87.1 | Confident | 88.1 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.6 | -44.7 | 176.1 | -170.3 | 66.7 | 0 | 0 | 0 | 112.2 | S63 W113 D114 D115 E119 A120 L121 Y131 | S63-N117 PolarHBondContact OG-OD1 3.08Å; W113-N117 HydrophobicContact CD2-CB 4.47Å; W113-N117 HydrophobicContact CE3-CB 4.29Å; W113-N117 HydrophobicContact CH2-CB 3.88Å; W113-N117 HydrophobicContact CZ2-CB 4.05Å; W113-N117 HydrophobicContact CZ3-CB 4Å; W113-N117 PolarHBondContact O-N 2.81Å; D114-N117 WeakPolarHBondContact O-CB 3.3Å; D114-N117 PolarHBondContact O-N 3.04Å; D115-N117 VanDerWaalsContact C-N 3.3Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 3.17Å; N117-A120 WeakPolarHBondContact O-CB 3.22Å; N117-A120 PolarHBondContact O-N 3.27Å; N117-A120 VanDerWaalsContact O-N 3.11Å; N117-L121 WeakPolarHBondContact O-CG 3.19Å; N117-L121 PolarHBondContact O-N 2.97Å; N117-Y131 PolarHBondContact OD1-OH 2.95Å |
| 118 | D | 89.8 | Confident | 87.9 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 177 | -73.4 | -11.1 | 0 | 0 | 0 | 111.3 | D114 L121 R122 | D114-D118 PolarHBondContact O-N 3.39Å; D118-L121 PolarHBondContact O-N 3.38Å; D118-R122 WeakPolarHBondContact O-CB 3.42Å; D118-R122 PolarHBondContact O-N 2.87Å |
| 119 | E | 93.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 62 Ų | 62 | 15% | 0.15 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 173.1 | 174.8 | 64.4 | -176.4 | 0 | 0 | 112.2 | I86 V109 D115 N117 L121 R122 L123 | I86-E119 HydrophobicContact CD1-CG 4.27Å; I86-E119 HydrophobicContact CG1-CG 4.43Å; I86-E119 HydrophobicContact CG2-CB 4.26Å; I86-E119 HydrophobicContact CG2-CG 4.22Å; V109-E119 HydrophobicContact CB-CB 4.37Å; V109-E119 HydrophobicContact CB-CG 4.37Å; V109-E119 HydrophobicContact CG1-CB 3.9Å; V109-E119 HydrophobicContact CG1-CG 4.17Å; V109-E119 HydrophobicContact CG2-CG 4.07Å; D115-E119 PolarHBondContact O-N 2.86Å; D115-E119 VanDerWaalsContact O-N 3.13Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 3.17Å; E119-L121 VanDerWaalsContact C-N 3.28Å; E119-L121 PolarHBondContact O-N 3.04Å; E119-R122 WeakPolarHBondContact O-CB 3.05Å; E119-R122 PolarHBondContact O-N 3.34Å; E119-R122 IonicContact OE1-CZ 3.5Å; E119-R122 IonicContact OE1-NE 3.48Å; E119-R122 IonicContact OE1-NH2 2.69Å; E119-R122 PolarHBondContact OE1-NH2 3.25Å; E119-R122 IonicContact OE2-CZ 2.68Å; E119-R122 IonicContact OE2-NE 2.7Å; E119-R122 PolarHBondContact OE2-NE 2.92Å; E119-R122 IonicContact OE2-NH2 3.49Å; E119-R122 PolarHBondContact OE2-NH2 3.07Å; E119-L123 HydrophobicContact CG-CD1 4.29Å; E119-L123 HydrophobicContact CG-CG 4.5Å; E119-L123 WeakPolarHBondContact O-CG 3.48Å; E119-L123 PolarHBondContact O-N 3.46Å |
| 120 | A | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V61 I86 A116 N117 L123 T124 Y131 | V61-A120 HydrophobicContact CG2-CB 3.82Å; I86-A120 HydrophobicContact CG1-CB 4.01Å; A116-A120 WeakPolarHBondContact O-CB 3.17Å; A116-A120 PolarHBondContact O-N 3.04Å; A116-A120 VanDerWaalsContact O-N 3.09Å; N117-A120 WeakPolarHBondContact O-CB 3.22Å; N117-A120 PolarHBondContact O-N 3.27Å; N117-A120 VanDerWaalsContact O-N 3.11Å; A120-L123 PolarHBondContact O-N 3.49Å; A120-T124 VanDerWaalsContact O-CG2 3.3Å; A120-T124 WeakPolarHBondContact O-CG2 3.45Å; A120-T124 PolarHBondContact O-N 2.64Å; A120-Y131 HydrophobicContact CB-CD2 4.14Å; A120-Y131 HydrophobicContact CB-CE2 3.92Å |
| 121 | L | 92.9 | Very high | 88.6 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 174.9 | -67.1 | 176.5 | 0 | 0 | 0 | 111.5 | N117 D118 E119 L123 T124 Q125 Y131 | N117-L121 WeakPolarHBondContact O-CG 3.19Å; N117-L121 PolarHBondContact O-N 2.97Å; D118-L121 PolarHBondContact O-N 3.38Å; E119-L121 VanDerWaalsContact C-N 3.28Å; E119-L121 PolarHBondContact O-N 3.04Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 2.98Å; L121-T124 WeakPolarHBondContact O-CB 3.45Å; L121-T124 PolarHBondContact O-N 2.99Å; L121-T124 VanDerWaalsContact O-N 3.12Å; L121-T124 PolarHBondContact O-OG1 2.9Å; L121-Q125 PolarHBondContact O-N 3.01Å; L121-Y131 HydrophobicContact CD2-CD2 4.33Å; L121-Y131 HydrophobicContact CD2-CE2 4.42Å; L121-Y131 HydrophobicContact CD2-CG 4.41Å |
| 122 | R | 94.8 | Very high | 89.5 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 39% | 0.389 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 175.4 | -164.9 | -167.9 | 66.7 | 69.1 | 4 | 111.9 | D118 E119 T124 Q125 T126 | D118-R122 WeakPolarHBondContact O-CB 3.42Å; D118-R122 PolarHBondContact O-N 2.87Å; E119-R122 WeakPolarHBondContact O-CB 3.05Å; E119-R122 PolarHBondContact O-N 3.34Å; E119-R122 IonicContact OE1-CZ 3.5Å; E119-R122 IonicContact OE1-NE 3.48Å; E119-R122 IonicContact OE1-NH2 2.69Å; E119-R122 PolarHBondContact OE1-NH2 3.25Å; E119-R122 IonicContact OE2-CZ 2.68Å; E119-R122 IonicContact OE2-NE 2.7Å; E119-R122 PolarHBondContact OE2-NE 2.92Å; E119-R122 IonicContact OE2-NH2 3.49Å; E119-R122 PolarHBondContact OE2-NH2 3.07Å; R122-T124 PolarHBondContact O-N 3.35Å; R122-Q125 WeakPolarHBondContact O-CB 3.45Å; R122-Q125 PolarHBondContact O-N 3.39Å; R122-T126 HydrophobicContact CG-CG2 4.36Å; R122-T126 PolarHBondContact NH1-OG1 2.94Å; R122-T126 PolarHBondContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.37Å |
| 123 | L | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -25.4 | 178.5 | -67.5 | 173 | 0 | 0 | 0 | 113.5 | V61 T84 I86 E119 A120 L121 Q125 D127 G128 L129 | V61-L123 HydrophobicContact CG2-CD1 4.14Å; T84-L123 HydrophobicContact CG2-CD1 4.31Å; I86-L123 HydrophobicContact CD1-CD1 3.73Å; I86-L123 HydrophobicContact CG1-CD1 4.45Å; E119-L123 HydrophobicContact CG-CD1 4.29Å; E119-L123 HydrophobicContact CG-CG 4.5Å; E119-L123 WeakPolarHBondContact O-CG 3.48Å; E119-L123 PolarHBondContact O-N 3.46Å; A120-L123 PolarHBondContact O-N 3.49Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 2.98Å; L123-Q125 VanDerWaalsContact C-N 3.27Å; L123-Q125 PolarHBondContact O-N 3.21Å; L123-D127 WeakPolarHBondContact CD2-OD2 3.46Å; L123-D127 WeakPolarHBondContact O-CB 3.45Å; L123-D127 PolarHBondContact O-N 3.25Å; L123-G128 PolarHBondContact O-N 2.86Å; L123-L129 HydrophobicContact CB-CD1 4.14Å |
| 124 | T | 93 | Very high | 90.9 | Very high | 41 Ų | 41 | 47.5 Ų | 47.5 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.2 | -34.4 | 172.8 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | V61 A120 L121 R122 G128 L129 | V61-T124 HydrophobicContact CG1-CG2 3.78Å; A120-T124 VanDerWaalsContact O-CG2 3.3Å; A120-T124 WeakPolarHBondContact O-CG2 3.45Å; A120-T124 PolarHBondContact O-N 2.64Å; L121-T124 WeakPolarHBondContact O-CB 3.45Å; L121-T124 PolarHBondContact O-N 2.99Å; L121-T124 VanDerWaalsContact O-N 3.12Å; L121-T124 PolarHBondContact O-OG1 2.9Å; R122-T124 PolarHBondContact O-N 3.35Å; T124-G128 WeakPolarHBondContact O-CA 3.32Å; T124-G128 PolarHBondContact O-N 3.37Å; T124-L129 WeakPolarHBondContact CA-O 3.32Å; T124-L129 WeakPolarHBondContact CB-O 3.1Å; T124-L129 WeakPolarHBondContact CG2-O 3.35Å |
| 125 | Q | 92.3 | Very high | 91.6 | Very high | 159 Ų | 159 | 45.2 Ų | 45.2 | 74% | 0.743 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -81.7 | -42.6 | -179.3 | -61.4 | 177.1 | -3.2 | 0 | 0 | 111.9 | L121 R122 L123 | L121-Q125 PolarHBondContact O-N 3.01Å; R122-Q125 WeakPolarHBondContact O-CB 3.45Å; R122-Q125 PolarHBondContact O-N 3.39Å; L123-Q125 VanDerWaalsContact C-N 3.27Å; L123-Q125 PolarHBondContact O-N 3.21Å |
| 126 | T | 92.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 45.6 Ų | 45.6 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -85.3 | -40.7 | -174 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | R122 | R122-T126 HydrophobicContact CG-CG2 4.36Å; R122-T126 PolarHBondContact NH1-OG1 2.94Å; R122-T126 PolarHBondContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.37Å |
| 127 | D | 90.3 | Very high | 92.6 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -9.3 | -169.8 | -60.4 | 17.2 | 0 | 0 | 0 | 110.8 | K58 L123 L129 | K58-D127 VanDerWaalsContact CD-O 3.27Å; K58-D127 WeakPolarHBondContact CD-O 3.43Å; L123-D127 WeakPolarHBondContact CD2-OD2 3.46Å; L123-D127 WeakPolarHBondContact O-CB 3.45Å; L123-D127 PolarHBondContact O-N 3.25Å; D127-L129 VanDerWaalsContact C-N 3.31Å; D127-L129 HydrophobicContact CB-CG 4Å |
| 128 | G | 90.7 | Very high | 93.1 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | trans | 69.4 | 27.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L123 T124 | L123-G128 PolarHBondContact O-N 2.86Å; T124-G128 WeakPolarHBondContact O-CA 3.32Å; T124-G128 PolarHBondContact O-N 3.37Å | ||
| 129 | L | 93.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 148.3 | 175.8 | -58.9 | -174.2 | 0 | 0 | 0 | 111.1 | K58 V61 L123 T124 D127 | K58-L129 HydrophobicContact CB-CD2 4.26Å; K58-L129 WeakPolarHBondContact O-CD2 3.39Å; V61-L129 HydrophobicContact CB-CB 4.16Å; V61-L129 HydrophobicContact CB-CD1 3.98Å; V61-L129 HydrophobicContact CG1-CB 3.89Å; V61-L129 HydrophobicContact CG1-CD1 4.49Å; L123-L129 HydrophobicContact CB-CD1 4.14Å; T124-L129 WeakPolarHBondContact CA-O 3.32Å; T124-L129 WeakPolarHBondContact CB-O 3.1Å; T124-L129 WeakPolarHBondContact CG2-O 3.35Å; D127-L129 VanDerWaalsContact C-N 3.31Å; D127-L129 HydrophobicContact CB-CG 4Å |
| 130 | T | 94.6 | Very high | 93.6 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 120.2 | 175.8 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | I52 G59 V60 V61 | I52-T130 HydrophobicContact CB-CG2 4.18Å; I52-T130 HydrophobicContact CD1-CG2 3.33Å; I52-T130 HydrophobicContact CG1-CG2 3.6Å; G59-T130 PolarHBondContact O-N 3.4Å; V60-T130 CarbonylContact C-O 3.52Å; V60-T130 VanDerWaalsContact CA-O 3.27Å; V60-T130 WeakPolarHBondContact CA-O 3.42Å; V61-T130 PolarHBondContact N-O 3.27Å |
| 131 | Y | 95 | Very high | 93.9 | Very high | 54 Ų | 54 | 46.2 Ų | 46.2 | 21% | 0.212 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133.4 | 176.5 | -175.2 | -110.4 | 0 | 0 | 0 | 111.8 | V61 S63 N117 A120 L121 P133 | V61-Y131 HydrophobicContact CG1-CD2 4.34Å; V61-Y131 CarbonylContact O-C 3.52Å; V61-Y131 WeakPolarHBondContact O-CA 3.22Å; S63-Y131 PolarHBondContact OG-OH 2.88Å; N117-Y131 PolarHBondContact OD1-OH 2.95Å; A120-Y131 HydrophobicContact CB-CD2 4.14Å; A120-Y131 HydrophobicContact CB-CE2 3.92Å; L121-Y131 HydrophobicContact CD2-CD2 4.33Å; L121-Y131 HydrophobicContact CD2-CE2 4.42Å; L121-Y131 HydrophobicContact CD2-CG 4.41Å; Y131-P133 HydrophobicContact CD1-CB 4.37Å; Y131-P133 HydrophobicContact CE1-CB 3.84Å; Y131-P133 HydrophobicContact CE1-CG 4.47Å; Y131-P133 WeakPolarHBondContact O-CD 3.43Å |
| 132 | V | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -111.3 | 100.2 | 174.9 | 176.9 | 0 | 0 | 0 | 0 | 109 | I45 L48 V60 V61 C62 T72 | I45-V132 HydrophobicContact CD1-CG1 4.41Å; I45-V132 HydrophobicContact CG1-CG1 4.17Å; I45-V132 HydrophobicContact CG2-CG1 3.94Å; L48-V132 HydrophobicContact CD2-CB 4.5Å; L48-V132 HydrophobicContact CD2-CG1 4.03Å; V60-V132 HydrophobicContact CB-CG2 3.87Å; V60-V132 HydrophobicContact CG1-CG2 4.04Å; V61-V132 PolarHBondContact O-N 2.94Å; C62-V132 HydrophobicContact CB-CB 4.33Å; C62-V132 PolarHBondContact SG-O 2.94Å; C62-V132 VanDerWaalsContact SG-O 3.38Å; T72-V132 HydrophobicContact CG2-CB 4.14Å; T72-V132 HydrophobicContact CG2-CG1 4.24Å; T72-V132 HydrophobicContact CG2-CG2 4.05Å; T72-V132 VanDerWaalsContact OG1-CG1 3.31Å; T72-V132 WeakPolarHBondContact OG1-CG1 3.36Å | ||
| 133 | P | 93.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | trans | -64.3 | 148.3 | 176.8 | 20.9 | -28.8 | 0 | 0 | 0 | 111.4 | L48 Y131 H137 L140 | L48-P133 HydrophobicContact CD2-CG 4.29Å; Y131-P133 HydrophobicContact CD1-CB 4.37Å; Y131-P133 HydrophobicContact CE1-CB 3.84Å; Y131-P133 HydrophobicContact CE1-CG 4.47Å; Y131-P133 WeakPolarHBondContact O-CD 3.43Å; P133-H137 HydrophobicContact CG-CB 3.65Å; P133-L140 HydrophobicContact CB-CD1 4.35Å; P133-L140 HydrophobicContact CG-CD1 4.04Å; P133-L140 WeakPolarHBondContact O-CD1 3.45Å | ||
| 134 | P | 89.1 | Confident | 94.6 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -77.1 | -19.2 | -177.8 | 27.6 | -33.3 | 0 | 0 | 0 | 114.5 | K41 A68 | K41-P134 PolarHBondContact NZ-O 3.47Å; A68-P134 HydrophobicContact CB-CB 3.82Å |
| 135 | F | 90.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -162 | -34.1 | -178.6 | 61.3 | -95.4 | 0 | 0 | 0 | 116.2 | H137 W141 G168 S224 C228 | F135-H137 PolarHBondContact O-N 3.07Å; F135-W141 PolarHBondContact O-NE1 3.38Å; F135-G168 VanDerWaalsContact CD2-C 3.49Å; F135-G168 WeakPolarHBondContact CD2-O 3.15Å; F135-G168 VanDerWaalsContact CE2-O 3.23Å; F135-G168 WeakPolarHBondContact CE2-O 3.42Å; F135-S224 WeakPolarHBondContact CZ-OG 3.37Å; F135-C228 HydrophobicContact CD2-CB 4.15Å; F135-C228 HydrophobicContact CE2-CB 4.05Å |
| 136 | D | 93.6 | Very high | 95.1 | Very high | 72 Ų | 72 | 33.4 Ų | 33.4 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | trans | -93.8 | 82.9 | -170 | -164.6 | -2.6 | 0 | 0 | 0 | 112 | W141 C228 | D136-W141 WeakPolarHBondContact OD1-CZ2 3.36Å; D136-C228 HydrophobicContact CB-CB 3.96Å; D136-C228 VanDerWaalsContact CG-CB 3.42Å; D136-C228 WeakPolarHBondContact OD2-CB 3.28Å | ||
| 137 | H | 96.5 | Very high | 95.4 | Very high | 59 Ų | 59 | 29.6 Ų | 29.6 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | trans | -162.9 | 134.5 | 174.2 | -167.8 | -74 | 0 | 0 | 0 | 110.7 | P133 F135 L139 L140 W141 | P133-H137 HydrophobicContact CG-CB 3.65Å; F135-H137 PolarHBondContact O-N 3.07Å; H137-L139 VanDerWaalsContact C-N 3.33Å; H137-L139 WeakPolarHBondContact ND1-CB 3.4Å; H137-L139 PolarHBondContact ND1-N 3.47Å; H137-L139 PolarHBondContact O-N 2.64Å; H137-L140 HydrophobicContact CB-CB 4.41Å; H137-L140 HydrophobicContact CB-CD1 3.84Å; H137-L140 HydrophobicContact CB-CG 3.92Å; H137-L140 WeakPolarHBondContact O-CA 3.38Å; H137-L140 VanDerWaalsContact O-CB 3.31Å; H137-L140 WeakPolarHBondContact O-CB 3.48Å; H137-L140 PolarHBondContact O-N 3.48Å; H137-W141 PolarHBondContact O-N 3.17Å | ||
| 138 | P | 97.4 | Very high | 95.8 | Very high | 64 Ų | 64 | 26.5 Ų | 26.5 | 42% | 0.416 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -53.4 | -43.6 | -179.2 | -29.5 | 35.6 | 0 | 0 | 0 | 114.4 | L140 W141 Q142 | P138-L140 VanDerWaalsContact C-N 3.27Å; P138-L140 PolarHBondContact O-N 2.88Å; P138-W141 HydrophobicContact CB-CE3 4.34Å; P138-W141 HydrophobicContact CB-CZ3 4.44Å; P138-W141 HydrophobicContact CG-CE3 4.46Å; P138-W141 HydrophobicContact CG-CZ3 4.08Å; P138-W141 PolarHBondContact O-N 3.01Å; P138-W141 VanDerWaalsContact O-N 3.13Å; P138-Q142 WeakPolarHBondContact O-CG 3.49Å; P138-Q142 PolarHBondContact O-N 3.47Å |
| 139 | L | 97.2 | Very high | 96.2 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 18% | 0.178 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -29.3 | 175.4 | -63.4 | 177.2 | 0 | 0 | 0 | 113.9 | H47 L48 K51 I52 H137 G143 | H47-L139 PolarHBondContact CD2-O 2.84Å; L48-L139 HydrophobicContact CB-CB 4.36Å; L48-L139 HydrophobicContact CD1-CB 3.65Å; L48-L139 HydrophobicContact CD1-CD1 3.82Å; L48-L139 HydrophobicContact CD1-CG 4.31Å; K51-L139 HydrophobicContact CB-CD1 3.81Å; K51-L139 HydrophobicContact CG-CD1 4.25Å; K51-L139 HydrophobicContact CG-CD2 4.28Å; I52-L139 HydrophobicContact CG2-CD1 3.9Å; H137-L139 VanDerWaalsContact C-N 3.33Å; H137-L139 WeakPolarHBondContact ND1-CB 3.4Å; H137-L139 PolarHBondContact ND1-N 3.47Å; H137-L139 PolarHBondContact O-N 2.64Å; L139-G143 PolarHBondContact O-N 3.46Å; L139-G143 VanDerWaalsContact O-N 3.15Å |
| 140 | L | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.4 | -44.7 | 173.3 | -67.4 | 172.9 | 0 | 0 | 0 | 110.2 | G44 I45 L48 P133 H137 P138 G143 H144 | G44-L140 WeakPolarHBondContact CA-O 3.42Å; G44-L140 WeakPolarHBondContact O-CD2 3.46Å; I45-L140 HydrophobicContact CB-CD2 4.27Å; I45-L140 HydrophobicContact CG1-CD2 3.61Å; L48-L140 HydrophobicContact CB-CD2 3.92Å; L48-L140 HydrophobicContact CD2-CD2 3.92Å; L48-L140 HydrophobicContact CD2-CG 4.3Å; L48-L140 HydrophobicContact CG-CD2 4.48Å; P133-L140 HydrophobicContact CB-CD1 4.35Å; P133-L140 HydrophobicContact CG-CD1 4.04Å; P133-L140 WeakPolarHBondContact O-CD1 3.45Å; H137-L140 HydrophobicContact CB-CB 4.41Å; H137-L140 HydrophobicContact CB-CD1 3.84Å; H137-L140 HydrophobicContact CB-CG 3.92Å; H137-L140 WeakPolarHBondContact O-CA 3.38Å; H137-L140 VanDerWaalsContact O-CB 3.31Å; H137-L140 WeakPolarHBondContact O-CB 3.48Å; H137-L140 PolarHBondContact O-N 3.48Å; P138-L140 VanDerWaalsContact C-N 3.27Å; P138-L140 PolarHBondContact O-N 2.88Å; L140-G143 PolarHBondContact O-N 3.19Å; L140-H144 PolarHBondContact O-CD2 2.89Å; L140-H144 VanDerWaalsContact O-CG 3.29Å; L140-H144 PolarHBondContact O-N 2.96Å |
| 141 | W | 98.3 | Very high | 96.6 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | -179.4 | -48.7 | -25.3 | 0 | 0 | 0 | 111.1 | F135 D136 H137 P138 G143 H144 A145 C173 G174 E177 C228 Q230 | F135-W141 PolarHBondContact O-NE1 3.38Å; D136-W141 WeakPolarHBondContact OD1-CZ2 3.36Å; H137-W141 PolarHBondContact O-N 3.17Å; P138-W141 HydrophobicContact CB-CE3 4.34Å; P138-W141 HydrophobicContact CB-CZ3 4.44Å; P138-W141 HydrophobicContact CG-CE3 4.46Å; P138-W141 HydrophobicContact CG-CZ3 4.08Å; P138-W141 PolarHBondContact O-N 3.01Å; P138-W141 VanDerWaalsContact O-N 3.13Å; W141-G143 VanDerWaalsContact C-N 3.27Å; W141-G143 PolarHBondContact O-N 2.94Å; W141-H144 CarbonylContact O-C 3.52Å; W141-H144 WeakPolarHBondContact O-CA 3.36Å; W141-H144 PolarHBondContact O-N 3.11Å; W141-A145 PolarHBondContact O-N 3.36Å; W141-C173 HydrophobicContact CB-CB 4.03Å; W141-C173 HydrophobicContact CD2-CB 3.62Å; W141-C173 HydrophobicContact CE3-CB 4.28Å; W141-C173 HydrophobicContact CG-CB 3.45Å; W141-C173 VanDerWaalsContact CG-CB 3.45Å; W141-G174 VanDerWaalsContact O-CA 3.23Å; W141-G174 WeakPolarHBondContact O-CA 3.37Å; W141-E177 VanDerWaalsContact C-OE2 3.28Å; W141-E177 WeakPolarHBondContact CB-OE1 3.44Å; W141-C228 HydrophobicContact CZ2-CB 4.49Å; W141-Q230 HydrophobicContact CE3-CB 4.37Å; W141-Q230 HydrophobicContact CE3-CG 4.03Å; W141-Q230 HydrophobicContact CH2-CB 3.3Å; W141-Q230 HydrophobicContact CH2-CG 3.85Å; W141-Q230 HydrophobicContact CZ2-CB 3.92Å; W141-Q230 HydrophobicContact CZ3-CB 3.56Å; W141-Q230 HydrophobicContact CZ3-CG 3.52Å |
| 142 | Q | 98.2 | Very high | 96.8 | Very high | 84 Ų | 84 | 29.5 Ų | 29.5 | 39% | 0.393 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -57.9 | -38.9 | 174.4 | -70.9 | 174.6 | 17.5 | 0 | 0 | 112.6 | P138 A145 E177 | P138-Q142 WeakPolarHBondContact O-CG 3.49Å; P138-Q142 PolarHBondContact O-N 3.47Å; Q142-A145 WeakPolarHBondContact O-CB 3.39Å; Q142-E177 WeakPolarHBondContact CA-OE2 3.32Å; Q142-E177 PolarHBondContact N-OE2 2.78Å; Q142-E177 VanDerWaalsContact N-OE2 3.15Å |
| 143 | G | 98.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -43.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L139 L140 W141 A145 S146 | L139-G143 PolarHBondContact O-N 3.46Å; L139-G143 VanDerWaalsContact O-N 3.15Å; L140-G143 PolarHBondContact O-N 3.19Å; W141-G143 VanDerWaalsContact C-N 3.27Å; W141-G143 PolarHBondContact O-N 2.94Å; G143-A145 VanDerWaalsContact C-N 3.28Å; G143-A145 PolarHBondContact O-N 3.1Å; G143-S146 WeakPolarHBondContact O-CB 3.33Å; G143-S146 PolarHBondContact O-N 3.26Å; G143-S146 PolarHBondContact O-OG 3.48Å; G143-S146 VanDerWaalsContact O-OG 3.08Å |
| 144 | H | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -27.9 | 176.4 | -69.2 | -35.3 | 0 | 0 | 0 | 113.5 | F40 G44 L140 W141 S146 I147 G170 | F40-H144 AromaticContact CD2-CE1 3.49Å; F40-H144 VanDerWaalsContact CD2-CE1 3.49Å; F40-H144 WeakPolarHBondContact CD2-CE1 3.32Å; F40-H144 AromaticContact CD2-ND1 3.58Å; F40-H144 AromaticContact CE2-CE1 3.55Å; F40-H144 AromaticContact CE2-ND1 3.95Å; F40-H144 AromaticContact CE2-NE2 3.66Å; G44-H144 PolarHBondContact N-CE1 3.25Å; G44-H144 VanDerWaalsContact N-CE1 3.26Å; G44-H144 PolarHBondContact N-ND1 3.31Å; L140-H144 PolarHBondContact O-CD2 2.89Å; L140-H144 VanDerWaalsContact O-CG 3.29Å; L140-H144 PolarHBondContact O-N 2.96Å; W141-H144 CarbonylContact O-C 3.52Å; W141-H144 WeakPolarHBondContact O-CA 3.36Å; W141-H144 PolarHBondContact O-N 3.11Å; H144-S146 PolarHBondContact O-N 3.31Å; H144-I147 WeakPolarHBondContact O-CB 3.49Å; H144-I147 VanDerWaalsContact O-CG1 3.28Å; H144-I147 WeakPolarHBondContact O-CG1 3.42Å; H144-I147 PolarHBondContact O-N 3.05Å; H144-G170 PolarHBondContact CD2-O 3.46Å |
| 145 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W141 Q142 G143 I147 V148 R149 G174 E177 | W141-A145 PolarHBondContact O-N 3.36Å; Q142-A145 WeakPolarHBondContact O-CB 3.39Å; G143-A145 VanDerWaalsContact C-N 3.28Å; G143-A145 PolarHBondContact O-N 3.1Å; A145-I147 PolarHBondContact O-N 3.4Å; A145-V148 PolarHBondContact O-N 2.95Å; A145-V148 VanDerWaalsContact O-N 3.14Å; A145-R149 PolarHBondContact O-N 2.89Å; A145-G174 WeakPolarHBondContact CA-O 3.29Å; A145-G174 WeakPolarHBondContact CB-O 3.28Å; A145-E177 HydrophobicContact CB-CB 4.28Å |
| 146 | S | 98.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -26.9 | 173.8 | 80 | 0 | 0 | 0 | 0 | 113.2 | R43 G143 H144 V148 R149 E150 | R43-S146 WeakPolarHBondContact CD-OG 3.09Å; R43-S146 PolarHBondContact NH1-OG 3.45Å; G143-S146 WeakPolarHBondContact O-CB 3.33Å; G143-S146 PolarHBondContact O-N 3.26Å; G143-S146 PolarHBondContact O-OG 3.48Å; G143-S146 VanDerWaalsContact O-OG 3.08Å; H144-S146 PolarHBondContact O-N 3.31Å; S146-V148 VanDerWaalsContact C-N 3.29Å; S146-V148 PolarHBondContact O-N 3Å; S146-R149 PolarHBondContact O-N 3.13Å; S146-E150 WeakPolarHBondContact O-CG 3.23Å; S146-E150 PolarHBondContact O-N 3.4Å |
| 147 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.2 | -47.7 | 175.5 | -63.4 | 171 | 0 | 0 | 0 | 109.7 | K30 E32 F40 R43 H144 A145 E150 I151 L171 I303 | K30-I147 HydrophobicContact CG-CG2 4Å; E32-I147 HydrophobicContact CG-CD1 4.41Å; F40-I147 HydrophobicContact CB-CD1 4.17Å; F40-I147 HydrophobicContact CD2-CD1 4.48Å; R43-I147 VanDerWaalsContact NE-CG1 3.32Å; H144-I147 WeakPolarHBondContact O-CB 3.49Å; H144-I147 VanDerWaalsContact O-CG1 3.28Å; H144-I147 WeakPolarHBondContact O-CG1 3.42Å; H144-I147 PolarHBondContact O-N 3.05Å; A145-I147 PolarHBondContact O-N 3.4Å; I147-E150 PolarHBondContact O-N 2.84Å; I147-I151 HydrophobicContact CG2-CD1 3.77Å; I147-I151 VanDerWaalsContact O-CG1 3.3Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.24Å; I147-L171 HydrophobicContact CD1-CD1 3.62Å; I147-I303 HydrophobicContact CG2-CD1 4.05Å; I147-I303 HydrophobicContact CG2-CG1 4.42Å |
| 148 | V | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.4 | -37.4 | -177.1 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | A145 S146 E150 I151 K152 V175 M179 V182 W184 | A145-V148 PolarHBondContact O-N 2.95Å; A145-V148 VanDerWaalsContact O-N 3.14Å; S146-V148 VanDerWaalsContact C-N 3.29Å; S146-V148 PolarHBondContact O-N 3Å; V148-E150 VanDerWaalsContact C-N 3.27Å; V148-E150 PolarHBondContact O-N 3.21Å; V148-I151 PolarHBondContact O-N 3.33Å; V148-K152 WeakPolarHBondContact O-CB 3.4Å; V148-K152 PolarHBondContact O-N 3.09Å; V148-V175 HydrophobicContact CG2-CB 4.31Å; V148-V175 HydrophobicContact CG2-CG1 4.1Å; V148-V175 HydrophobicContact CG2-CG2 4.35Å; V148-M179 HydrophobicContact CG1-CG 3.89Å; V148-M179 HydrophobicContact CG2-CG 4.1Å; V148-V182 HydrophobicContact CG1-CG2 3.72Å; V148-W184 HydrophobicContact CG1-CE3 3.94Å; V148-W184 HydrophobicContact CG1-CZ3 4.07Å |
| 149 | R | 98.4 | Very high | 97.5 | Very high | 103 Ų | 103 | 37.9 Ų | 37.9 | 39% | 0.389 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 174.7 | -60.8 | -177.4 | -161 | 114.7 | 5.4 | 111.4 | A145 S146 K152 A153 E181 | A145-R149 PolarHBondContact O-N 2.89Å; S146-R149 PolarHBondContact O-N 3.13Å; R149-K152 PolarHBondContact O-N 2.96Å; R149-A153 PolarHBondContact O-N 3.4Å; R149-E181 IonicContact CZ-OE1 2.67Å; R149-E181 IonicContact CZ-OE2 2.74Å; R149-E181 IonicContact NE-OE2 3.54Å; R149-E181 PolarHBondContact NE-OE2 3.35Å; R149-E181 IonicContact NH2-OE1 2.7Å; R149-E181 PolarHBondContact NH2-OE1 2.85Å; R149-E181 IonicContact NH2-OE2 3.39Å; R149-E181 PolarHBondContact NH2-OE2 3.3Å |
| 150 | E | 98.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.4 | -44 | 175.7 | -70.4 | 172.9 | -160.7 | 0 | 0 | 112 | H8 N10 K30 R43 S146 I147 V148 K152 A153 S154 | H8-E150 IonicContact CD2-OE1 2.79Å; H8-E150 IonicContact NE2-OE1 2.73Å; N10-E150 WeakPolarHBondContact CA-OE2 3.4Å; N10-E150 PolarHBondContact OD1-OE2 3.39Å; K30-E150 VanDerWaalsContact CE-OE2 3.24Å; K30-E150 WeakPolarHBondContact CE-OE2 3.37Å; K30-E150 IonicContact NZ-OE2 3.87Å; K30-E150 PolarHBondContact NZ-OE2 2.81Å; R43-E150 IonicContact CZ-OE1 2.78Å; R43-E150 IonicContact CZ-OE2 2.92Å; R43-E150 VanDerWaalsContact NH1-CD 3.35Å; R43-E150 IonicContact NH1-OE1 3.58Å; R43-E150 PolarHBondContact NH1-OE1 2.89Å; R43-E150 IonicContact NH1-OE2 3.85Å; R43-E150 PolarHBondContact NH1-OE2 2.9Å; R43-E150 IonicContact NH2-OE1 3.82Å; R43-E150 PolarHBondContact NH2-OE1 2.96Å; R43-E150 IonicContact NH2-OE2 3.5Å; R43-E150 PolarHBondContact NH2-OE2 3.39Å; S146-E150 WeakPolarHBondContact O-CG 3.23Å; S146-E150 PolarHBondContact O-N 3.4Å; I147-E150 PolarHBondContact O-N 2.84Å; V148-E150 VanDerWaalsContact C-N 3.27Å; V148-E150 PolarHBondContact O-N 3.21Å; E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 2.91Å; E150-A153 PolarHBondContact O-N 3.41Å; E150-A153 VanDerWaalsContact O-N 3.14Å; E150-S154 PolarHBondContact O-N 2.86Å; E150-S154 PolarHBondContact O-OG 3.07Å |
| 151 | I | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 174.3 | -67.1 | 162.2 | 0 | 0 | 0 | 110.6 | F13 K30 I147 V148 A153 S154 L155 W184 V301 | F13-I151 HydrophobicContact CE2-CG1 4.15Å; F13-I151 HydrophobicContact CE2-CG2 4.28Å; F13-I151 HydrophobicContact CZ-CG2 4.29Å; K30-I151 HydrophobicContact CB-CD1 4.38Å; K30-I151 HydrophobicContact CB-CG1 4.41Å; K30-I151 HydrophobicContact CD-CG1 4.23Å; K30-I151 HydrophobicContact CG-CD1 4.25Å; K30-I151 HydrophobicContact CG-CG1 4.15Å; I147-I151 HydrophobicContact CG2-CD1 3.77Å; I147-I151 VanDerWaalsContact O-CG1 3.3Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.24Å; V148-I151 PolarHBondContact O-N 3.33Å; I151-A153 VanDerWaalsContact C-N 3.3Å; I151-A153 PolarHBondContact O-N 2.79Å; I151-S154 PolarHBondContact O-N 2.93Å; I151-S154 VanDerWaalsContact O-N 3.15Å; I151-L155 HydrophobicContact CG2-CD1 3.71Å; I151-L155 HydrophobicContact CG2-CG 4.32Å; I151-L155 PolarHBondContact O-N 2.83Å; I151-W184 HydrophobicContact CB-CZ3 4.49Å; I151-W184 HydrophobicContact CG2-CH2 4.01Å; I151-W184 HydrophobicContact CG2-CZ3 3.87Å; I151-V301 HydrophobicContact CD1-CG1 3.87Å; I151-V301 HydrophobicContact CG1-CG1 4.34Å; I151-V301 HydrophobicContact CG2-CG1 4.38Å; I151-V301 HydrophobicContact CG2-CG2 4.23Å |
| 152 | K | 98.4 | Very high | 97.7 | Very high | 79 Ų | 79 | 36 Ų | 36 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 176.9 | 175.3 | 61.9 | -172.3 | 157.6 | 0 | 112.6 | V148 R149 E150 S154 V182 W184 | V148-K152 WeakPolarHBondContact O-CB 3.4Å; V148-K152 PolarHBondContact O-N 3.09Å; R149-K152 PolarHBondContact O-N 2.96Å; E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 2.91Å; K152-S154 VanDerWaalsContact C-N 3.33Å; K152-V182 HydrophobicContact CB-CB 4.34Å; K152-V182 HydrophobicContact CB-CG1 4.05Å; K152-V182 HydrophobicContact CB-CG2 4.47Å; K152-V182 HydrophobicContact CD-CB 4.38Å; K152-V182 HydrophobicContact CG-CB 4.06Å; K152-V182 HydrophobicContact CG-CG1 4.03Å; K152-W184 HydrophobicContact CB-CH2 3.8Å; K152-W184 HydrophobicContact CB-CZ2 4.04Å; K152-W184 HydrophobicContact CB-CZ3 4.36Å; K152-W184 HydrophobicContact CD-CH2 3.91Å; K152-W184 HydrophobicContact CD-CZ2 3.23Å; K152-W184 HydrophobicContact CG-CH2 4.48Å; K152-W184 HydrophobicContact CG-CZ2 4.22Å |
| 153 | A | 98 | Very high | 97.7 | Very high | 86 Ų | 86 | 32 Ų | 32 | 71% | 0.711 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -72.2 | -27.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R149 E150 I151 | R149-A153 PolarHBondContact O-N 3.4Å; E150-A153 PolarHBondContact O-N 3.41Å; E150-A153 VanDerWaalsContact O-N 3.14Å; I151-A153 VanDerWaalsContact C-N 3.3Å; I151-A153 PolarHBondContact O-N 2.79Å |
| 154 | S | 97.8 | Very high | 97.8 | Very high | 57 Ų | 57 | 31.9 Ų | 31.9 | 40% | 0.399 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -87.5 | -23.5 | -179.9 | -63.6 | 0 | 0 | 0 | 0 | 114.4 | F13 E150 I151 K152 | F13-S154 VanDerWaalsContact CD1-CB 3.43Å; E150-S154 PolarHBondContact O-N 2.86Å; E150-S154 PolarHBondContact O-OG 3.07Å; I151-S154 PolarHBondContact O-N 2.93Å; I151-S154 VanDerWaalsContact O-N 3.15Å; K152-S154 VanDerWaalsContact C-N 3.33Å |
| 155 | L | 95.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | trans | -99.8 | 139.1 | -178.8 | -71.7 | 176.3 | 0 | 0 | 0 | 112.8 | F13 Y28 I151 S157 P159 W184 P299 V301 | F13-L155 HydrophobicContact CE1-CD2 3.63Å; F13-L155 HydrophobicContact CE1-CG 3.83Å; F13-L155 HydrophobicContact CZ-CD1 4.17Å; F13-L155 HydrophobicContact CZ-CD2 3.86Å; F13-L155 HydrophobicContact CZ-CG 3.85Å; Y28-L155 HydrophobicContact CD2-CD2 4.02Å; Y28-L155 HydrophobicContact CE2-CD2 3.98Å; I151-L155 HydrophobicContact CG2-CD1 3.71Å; I151-L155 HydrophobicContact CG2-CG 4.32Å; I151-L155 PolarHBondContact O-N 2.83Å; L155-S157 VanDerWaalsContact C-N 3.29Å; L155-S157 VanDerWaalsContact CB-O 3.29Å; L155-S157 WeakPolarHBondContact CB-O 3.37Å; L155-S157 PolarHBondContact O-N 2.79Å; L155-P159 HydrophobicContact CD1-CB 4.02Å; L155-P159 HydrophobicContact CD1-CG 4.23Å; L155-W184 HydrophobicContact CD1-CH2 4.32Å; L155-P299 HydrophobicContact CD1-CG 4.37Å; L155-P299 HydrophobicContact CD2-CG 3.89Å; L155-V301 HydrophobicContact CD1-CG2 3.98Å | ||
| 156 | P | 91.1 | Very high | 97.8 | Very high | 127 Ų | 127 | 32.1 Ų | 32.1 | 83% | 0.825 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -70 | -26.9 | 175.3 | 29 | -34.6 | 0 | 0 | 0 | 112.6 | ||
| 157 | S | 93.8 | Very high | 97.6 | Very high | 62 Ų | 62 | 32.3 Ų | 32.3 | 43% | 0.434 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -140.4 | 177.7 | -178.4 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | L155 | L155-S157 VanDerWaalsContact C-N 3.29Å; L155-S157 VanDerWaalsContact CB-O 3.29Å; L155-S157 WeakPolarHBondContact CB-O 3.37Å; L155-S157 PolarHBondContact O-N 2.79Å |
| 158 | K | 96.7 | Very high | 97.3 | Very high | 93 Ų | 93 | 32.7 Ų | 32.7 | 40% | 0.404 | 19% | 0.193 | S | C | . | . | trans | -69.1 | 143.9 | 177.1 | 69.1 | -178.4 | -177.2 | 176.9 | 0 | 110.5 | W184 S186 V187 | K158-W184 HydrophobicContact CB-CD2 4.25Å; K158-W184 HydrophobicContact CB-CG 4.22Å; K158-W184 HydrophobicContact CB-CZ2 4.21Å; K158-W184 VanDerWaalsContact CB-NE1 3.33Å; K158-S186 PolarHBondContact NZ-OG 3.43Å; K158-V187 HydrophobicContact CB-CG2 4.15Å; K158-V187 HydrophobicContact CD-CG2 4Å; K158-V187 HydrophobicContact CG-CG2 4.28Å | ||
| 159 | P | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | trans | -67.2 | 157.7 | 174.1 | 28 | -32.5 | 0 | 0 | 0 | 110.9 | L155 A161 V162 W184 V187 P299 V301 | L155-P159 HydrophobicContact CD1-CB 4.02Å; L155-P159 HydrophobicContact CD1-CG 4.23Å; P159-A161 VanDerWaalsContact C-N 3.33Å; P159-V162 HydrophobicContact CG-CG2 3.99Å; P159-W184 VanDerWaalsContact CD-CH2 3.44Å; P159-W184 HydrophobicContact CG-CE3 4.15Å; P159-W184 HydrophobicContact CG-CH2 4.26Å; P159-W184 HydrophobicContact CG-CZ3 3.93Å; P159-V187 HydrophobicContact CG-CG1 4.1Å; P159-V187 WeakPolarHBondContact O-CG2 3.24Å; P159-P299 CarbonylContact C-O 3.54Å; P159-P299 WeakPolarHBondContact CA-O 3.41Å; P159-P299 VanDerWaalsContact CB-O 3.24Å; P159-P299 WeakPolarHBondContact CB-O 3.27Å; P159-V301 HydrophobicContact CB-CG2 3.75Å; P159-V301 HydrophobicContact CG-CG2 4.34Å | ||
| 160 | G | 98.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -73.5 | -28.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | P188 G298 P299 | G160-P188 WeakPolarHBondContact O-CD 3.19Å; G160-P188 VanDerWaalsContact O-CG 3.22Å; G160-P188 WeakPolarHBondContact O-CG 3.18Å; G160-G298 WeakPolarHBondContact CA-O 3.41Å; G160-G298 VanDerWaalsContact N-C 3.3Å; G160-G298 PolarHBondContact N-O 3.48Å; G160-P299 PolarHBondContact N-O 3.24Å |
| 161 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 157.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P159 P188 I190 L296 L300 V301 | P159-A161 VanDerWaalsContact C-N 3.33Å; A161-P188 CarbonylContact C-O 3.42Å; A161-P188 WeakPolarHBondContact CA-O 3.3Å; A161-P188 HydrophobicContact CB-CG 3.86Å; A161-I190 HydrophobicContact CB-CD1 3.59Å; A161-L296 HydrophobicContact CB-CD1 4.28Å; A161-L300 HydrophobicContact CB-CD1 3.57Å; A161-V301 PolarHBondContact O-N 3.1Å |
| 162 | V | 98.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.3 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | P159 V175 M179 V187 P188 I189 I190 V301 I303 | P159-V162 HydrophobicContact CG-CG2 3.99Å; V162-V175 HydrophobicContact CG1-CG1 4.35Å; V162-M179 HydrophobicContact CG2-CE 4.49Å; V162-M179 HydrophobicContact CG2-SD 4.4Å; V162-V187 HydrophobicContact CG2-CG1 4.24Å; V162-P188 PolarHBondContact N-O 2.9Å; V162-I189 CarbonylContact O-C 3.47Å; V162-I189 VanDerWaalsContact O-CA 3.28Å; V162-I189 WeakPolarHBondContact O-CA 3.43Å; V162-I190 PolarHBondContact O-N 3.27Å; V162-V301 CarbonylContact C-O 3.31Å; V162-V301 WeakPolarHBondContact CA-O 3.28Å; V162-V301 HydrophobicContact CG2-CB 4.41Å; V162-I303 HydrophobicContact CG1-CD1 3.95Å; V162-I303 HydrophobicContact CG1-CG1 4.2Å |
| 163 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | I190 M192 A274 A277 I283 L300 V301 M302 I303 | V163-I190 WeakPolarHBondContact CA-O 3.49Å; V163-I190 HydrophobicContact CG1-CB 4.43Å; V163-I190 HydrophobicContact CG2-CB 4.21Å; V163-I190 HydrophobicContact CG2-CD1 4.26Å; V163-M192 HydrophobicContact CG1-CG 3.8Å; V163-A274 HydrophobicContact CG1-CB 4.36Å; V163-A274 WeakPolarHBondContact CG1-O 3.44Å; V163-A277 HydrophobicContact CG1-CB 3.68Å; V163-A277 HydrophobicContact CG2-CB 4.38Å; V163-I283 HydrophobicContact CG2-CD1 4.28Å; V163-L300 HydrophobicContact CG2-CD1 3.66Å; V163-L300 HydrophobicContact CG2-CG 4.28Å; V163-V301 PolarHBondContact N-O 3.48Å; V163-M302 HydrophobicContact CB-CE 3.87Å; V163-M302 HydrophobicContact CB-SD 3.58Å; V163-M302 VanDerWaalsContact CB-SD 3.58Å; V163-M302 HydrophobicContact CG1-CE 3.82Å; V163-M302 HydrophobicContact CG1-SD 4.19Å; V163-M302 HydrophobicContact CG2-CE 4.18Å; V163-M302 HydrophobicContact CG2-SD 3.46Å; V163-M302 WeakPolarHBondContact CG2-SD 3.41Å; V163-I303 PolarHBondContact O-N 2.94Å |
| 164 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 158.3 | 175.1 | 62.3 | 87.4 | 0 | 0 | 0 | 110.6 | V166 L171 L172 V175 I189 I190 M192 I303 | L164-V166 HydrophobicContact CD1-CG2 3.54Å; L164-L171 HydrophobicContact CB-CD2 3.94Å; L164-L171 HydrophobicContact CB-CG 4.34Å; L164-L171 HydrophobicContact CD1-CG 4.5Å; L164-L171 HydrophobicContact CD2-CG 4.4Å; L164-L172 HydrophobicContact CD1-CB 4.09Å; L164-L172 HydrophobicContact CD2-CD1 4.43Å; L164-V175 HydrophobicContact CD2-CB 3.85Å; L164-V175 HydrophobicContact CD2-CG1 3.93Å; L164-V175 HydrophobicContact CD2-CG2 3.79Å; L164-I189 HydrophobicContact CD2-CG2 3.67Å; L164-I189 HydrophobicContact CG-CG2 4.07Å; L164-I190 PolarHBondContact N-O 3.42Å; L164-M192 PolarHBondContact O-N 2.9Å; L164-I303 HydrophobicContact CB-CB 4.34Å; L164-I303 HydrophobicContact CB-CD1 4.22Å; L164-I303 HydrophobicContact CD2-CD1 4.44Å |
| 165 | S | 98.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 16.5 Ų | 16.5 | 5% | 0.049 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 148.4 | 168.9 | 57.7 | 0 | 0 | 0 | 0 | 112 | M192 A270 | S165-M192 CarbonylContact C-O 3.32Å; S165-M192 WeakPolarHBondContact CA-O 3.44Å; S165-A270 WeakPolarHBondContact CB-O 3.38Å; S165-A270 PolarHBondContact OG-O 2.93Å |
| 166 | V | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | trans | -114.3 | 116.9 | -179.6 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | L164 L172 C191 M192 E193 F200 L222 | L164-V166 HydrophobicContact CD1-CG2 3.54Å; V166-L172 HydrophobicContact CG2-CB 4.34Å; V166-L172 HydrophobicContact CG2-CD2 4.45Å; V166-C191 HydrophobicContact CG2-CB 3.59Å; V166-M192 PolarHBondContact N-O 3.48Å; V166-E193 HydrophobicContact CB-CG 3.94Å; V166-E193 VanDerWaalsContact O-CG 3.26Å; V166-E193 WeakPolarHBondContact O-CG 3.23Å; V166-F200 HydrophobicContact CB-CB 4.45Å; V166-F200 HydrophobicContact CB-CD1 4.46Å; V166-F200 HydrophobicContact CG1-CB 3.61Å; V166-F200 HydrophobicContact CG1-CD1 4.17Å; V166-F200 HydrophobicContact CG1-CG 3.97Å; V166-F200 HydrophobicContact CG2-CD1 4.25Å; V166-L222 WeakPolarHBondContact O-CD2 3.29Å | ||
| 167 | G | 94.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 11.5 Ų | 11.5 | 14% | 0.144 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -94.3 | -110.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109 | G169 C199 L222 | G167-G169 PolarHBondContact O-N 2.95Å; G167-G169 VanDerWaalsContact O-N 3.13Å; G167-C199 PolarHBondContact O-SG 2.76Å; G167-L222 VanDerWaalsContact CA-O 3.3Å; G167-L222 WeakPolarHBondContact CA-O 3.48Å |
| 168 | G | 93.2 | Very high | 98 | Very high | 7 Ų | 7 | 8.6 Ų | 8.6 | 7% | 0.072 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -73 | 5.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | F135 C228 | F135-G168 VanDerWaalsContact CD2-C 3.49Å; F135-G168 WeakPolarHBondContact CD2-O 3.15Å; F135-G168 VanDerWaalsContact CE2-O 3.23Å; F135-G168 WeakPolarHBondContact CE2-O 3.42Å; G168-C228 WeakPolarHBondContact O-CB 3.48Å; G168-C228 PolarHBondContact O-N 2.68Å; G168-C228 PolarHBondContact O-SG 2.93Å |
| 169 | G | 97 | Very high | 98.1 | Very high | 2 Ų | 2 | 4.1 Ų | 4.1 | 2% | 0.021 | 3% | 0.029 | C | C | . | . | S | Bend | trans | 93.2 | -7.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | G167 L171 L172 C173 | G167-G169 PolarHBondContact O-N 2.95Å; G167-G169 VanDerWaalsContact O-N 3.13Å; G169-L171 VanDerWaalsContact C-N 3.34Å; G169-L171 PolarHBondContact O-N 3.07Å; G169-L172 WeakPolarHBondContact O-CB 3.36Å; G169-L172 PolarHBondContact O-N 2.76Å; G169-L172 VanDerWaalsContact O-N 3.1Å; G169-C173 PolarHBondContact O-N 2.99Å; G169-C173 PolarHBondContact O-SG 2.96Å; G169-C173 VanDerWaalsContact O-SG 3.4Å |
| 170 | G | 98 | Very high | 98.1 | Very high | 3 Ų | 3 | 8 Ų | 8 | 3% | 0.031 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.3 | -35.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H144 G174 | H144-G170 PolarHBondContact CD2-O 3.46Å; G170-G174 PolarHBondContact O-N 2.83Å; G170-G174 VanDerWaalsContact O-N 3.17Å |
| 171 | L | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.5 | -48.1 | 173.1 | 178.9 | 53.9 | 0 | 0 | 0 | 111.2 | F40 I147 L164 G169 C173 G174 V175 I303 C305 | F40-L171 HydrophobicContact CD1-CD2 4.43Å; F40-L171 HydrophobicContact CD2-CB 4.32Å; F40-L171 HydrophobicContact CD2-CD1 3.7Å; F40-L171 HydrophobicContact CD2-CD2 4.5Å; F40-L171 HydrophobicContact CD2-CG 4.38Å; F40-L171 HydrophobicContact CE1-CD2 4.21Å; F40-L171 HydrophobicContact CE2-CB 3.57Å; F40-L171 HydrophobicContact CE2-CD1 3.85Å; F40-L171 HydrophobicContact CE2-CD2 4.31Å; F40-L171 HydrophobicContact CE2-CG 4.09Å; F40-L171 HydrophobicContact CG-CD1 4.25Å; F40-L171 HydrophobicContact CZ-CB 3.68Å; F40-L171 HydrophobicContact CZ-CD1 4.5Å; F40-L171 HydrophobicContact CZ-CD2 4.15Å; F40-L171 HydrophobicContact CZ-CG 4.32Å; I147-L171 HydrophobicContact CD1-CD1 3.62Å; L164-L171 HydrophobicContact CB-CD2 3.94Å; L164-L171 HydrophobicContact CB-CG 4.34Å; L164-L171 HydrophobicContact CD1-CG 4.5Å; L164-L171 HydrophobicContact CD2-CG 4.4Å; G169-L171 VanDerWaalsContact C-N 3.34Å; G169-L171 PolarHBondContact O-N 3.07Å; L171-C173 VanDerWaalsContact C-N 3.3Å; L171-C173 PolarHBondContact O-N 2.73Å; L171-G174 PolarHBondContact O-N 2.9Å; L171-V175 HydrophobicContact CD1-CG2 3.94Å; L171-V175 HydrophobicContact CG-CG2 4.41Å; L171-V175 WeakPolarHBondContact O-CG2 3.42Å; L171-V175 PolarHBondContact O-N 3.27Å; L171-I303 HydrophobicContact CD1-CG2 4.49Å; L171-I303 HydrophobicContact CD2-CG2 4.15Å; L171-C305 HydrophobicContact CD2-CB 4.48Å |
| 172 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -55.4 | -47.4 | 176.5 | 170.9 | 59.1 | 0 | 0 | 0 | 110.7 | L164 V166 G169 G174 V175 V176 I189 F200 A231 I242 | L164-L172 HydrophobicContact CD1-CB 4.09Å; L164-L172 HydrophobicContact CD2-CD1 4.43Å; V166-L172 HydrophobicContact CG2-CB 4.34Å; V166-L172 HydrophobicContact CG2-CD2 4.45Å; G169-L172 WeakPolarHBondContact O-CB 3.36Å; G169-L172 PolarHBondContact O-N 2.76Å; G169-L172 VanDerWaalsContact O-N 3.1Å; L172-G174 PolarHBondContact O-N 2.98Å; L172-V175 PolarHBondContact O-N 2.83Å; L172-V176 HydrophobicContact CD1-CG2 3.83Å; L172-V176 HydrophobicContact CG-CG2 4.43Å; L172-V176 WeakPolarHBondContact O-CG2 3.24Å; L172-V176 PolarHBondContact O-N 2.77Å; L172-I189 HydrophobicContact CD1-CD1 4.2Å; L172-I189 HydrophobicContact CD1-CG2 3.99Å; L172-F200 HydrophobicContact CD2-CD2 4.5Å; L172-F200 HydrophobicContact CD2-CE1 3.89Å; L172-F200 HydrophobicContact CD2-CE2 3.73Å; L172-F200 HydrophobicContact CD2-CZ 3.33Å; L172-A231 HydrophobicContact CD2-CB 4.06Å; L172-I242 HydrophobicContact CD1-CD1 4.33Å |
| 173 | C | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 180 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | W141 G169 L171 V175 V176 E177 A231 Y234 | W141-C173 HydrophobicContact CB-CB 4.03Å; W141-C173 HydrophobicContact CD2-CB 3.62Å; W141-C173 HydrophobicContact CE3-CB 4.28Å; W141-C173 HydrophobicContact CG-CB 3.45Å; W141-C173 VanDerWaalsContact CG-CB 3.45Å; G169-C173 PolarHBondContact O-N 2.99Å; G169-C173 PolarHBondContact O-SG 2.96Å; G169-C173 VanDerWaalsContact O-SG 3.4Å; L171-C173 VanDerWaalsContact C-N 3.3Å; L171-C173 PolarHBondContact O-N 2.73Å; C173-V175 VanDerWaalsContact C-N 3.34Å; C173-V175 PolarHBondContact O-N 2.84Å; C173-V176 PolarHBondContact O-N 2.86Å; C173-E177 WeakPolarHBondContact O-CG 3.44Å; C173-E177 PolarHBondContact O-N 2.75Å; C173-A231 PolarHBondContact SG-N 3.16Å; C173-Y234 HydrophobicContact CB-CE2 4.07Å |
| 174 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | W141 A145 G170 L171 L172 E177 G178 | W141-G174 VanDerWaalsContact O-CA 3.23Å; W141-G174 WeakPolarHBondContact O-CA 3.37Å; A145-G174 WeakPolarHBondContact CA-O 3.29Å; A145-G174 WeakPolarHBondContact CB-O 3.28Å; G170-G174 PolarHBondContact O-N 2.83Å; G170-G174 VanDerWaalsContact O-N 3.17Å; L171-G174 PolarHBondContact O-N 2.9Å; L172-G174 PolarHBondContact O-N 2.98Å; G174-E177 PolarHBondContact O-N 2.71Å; G174-G178 PolarHBondContact O-N 2.73Å |
| 175 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66 | -42.8 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | V148 V162 L164 L171 L172 C173 G178 M179 I189 I303 | V148-V175 HydrophobicContact CG2-CB 4.31Å; V148-V175 HydrophobicContact CG2-CG1 4.1Å; V148-V175 HydrophobicContact CG2-CG2 4.35Å; V162-V175 HydrophobicContact CG1-CG1 4.35Å; L164-V175 HydrophobicContact CD2-CB 3.85Å; L164-V175 HydrophobicContact CD2-CG1 3.93Å; L164-V175 HydrophobicContact CD2-CG2 3.79Å; L171-V175 HydrophobicContact CD1-CG2 3.94Å; L171-V175 HydrophobicContact CG-CG2 4.41Å; L171-V175 WeakPolarHBondContact O-CG2 3.42Å; L171-V175 PolarHBondContact O-N 3.27Å; L172-V175 PolarHBondContact O-N 2.83Å; C173-V175 VanDerWaalsContact C-N 3.34Å; C173-V175 PolarHBondContact O-N 2.84Å; V175-G178 PolarHBondContact O-N 3.31Å; V175-M179 HydrophobicContact CG1-CG 4.2Å; V175-M179 HydrophobicContact CG1-SD 3.55Å; V175-M179 VanDerWaalsContact CG1-SD 3.55Å; V175-M179 VanDerWaalsContact O-CB 3.28Å; V175-M179 WeakPolarHBondContact O-CB 3.49Å; V175-M179 WeakPolarHBondContact O-CG 3.33Å; V175-M179 PolarHBondContact O-N 3.37Å; V175-I189 HydrophobicContact CG1-CD1 4.12Å; V175-I303 HydrophobicContact CG2-CD1 3.51Å |
| 176 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 175 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | L172 C173 M179 K180 I189 Y234 M240 I242 | L172-V176 HydrophobicContact CD1-CG2 3.83Å; L172-V176 HydrophobicContact CG-CG2 4.43Å; L172-V176 WeakPolarHBondContact O-CG2 3.24Å; L172-V176 PolarHBondContact O-N 2.77Å; C173-V176 PolarHBondContact O-N 2.86Å; V176-M179 PolarHBondContact O-N 3.03Å; V176-K180 HydrophobicContact CG1-CD 4.12Å; V176-K180 HydrophobicContact CG1-CG 4.49Å; V176-K180 WeakPolarHBondContact O-CG 3.35Å; V176-K180 PolarHBondContact O-N 3.25Å; V176-I189 HydrophobicContact CG2-CD1 3.6Å; V176-Y234 HydrophobicContact CB-CD2 3.81Å; V176-Y234 HydrophobicContact CB-CE2 3.73Å; V176-Y234 HydrophobicContact CB-CG 4.34Å; V176-Y234 HydrophobicContact CG1-CD1 3.76Å; V176-Y234 HydrophobicContact CG1-CD2 3.65Å; V176-Y234 HydrophobicContact CG1-CE1 3.72Å; V176-Y234 HydrophobicContact CG1-CE2 3.6Å; V176-Y234 HydrophobicContact CG1-CG 3.73Å; V176-Y234 HydrophobicContact CG2-CD2 3.92Å; V176-Y234 HydrophobicContact CG2-CE2 4.34Å; V176-Y234 HydrophobicContact CG2-CG 4.36Å; V176-M240 HydrophobicContact CG1-CE 4.17Å; V176-M240 HydrophobicContact CG1-CG 3.72Å; V176-M240 HydrophobicContact CG1-SD 4.12Å; V176-M240 HydrophobicContact CG2-CE 4.35Å; V176-M240 HydrophobicContact CG2-CG 4.42Å; V176-I242 HydrophobicContact CG2-CD1 4.12Å |
| 177 | E | 98.4 | Very high | 97.7 | Very high | 34 Ų | 34 | 21.8 Ų | 21.8 | 16% | 0.159 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.3 | -51.7 | 176.2 | -73.9 | -177.1 | -176.2 | 0 | 0 | 111.1 | W141 Q142 A145 C173 G174 M179 K180 E181 Y234 | W141-E177 VanDerWaalsContact C-OE2 3.28Å; W141-E177 WeakPolarHBondContact CB-OE1 3.44Å; Q142-E177 WeakPolarHBondContact CA-OE2 3.32Å; Q142-E177 PolarHBondContact N-OE2 2.78Å; Q142-E177 VanDerWaalsContact N-OE2 3.15Å; A145-E177 HydrophobicContact CB-CB 4.28Å; C173-E177 WeakPolarHBondContact O-CG 3.44Å; C173-E177 PolarHBondContact O-N 2.75Å; G174-E177 PolarHBondContact O-N 2.71Å; E177-M179 VanDerWaalsContact C-N 3.31Å; E177-M179 PolarHBondContact O-N 3.45Å; E177-K180 PolarHBondContact O-N 3.46Å; E177-E181 WeakPolarHBondContact O-CG 3.44Å; E177-E181 PolarHBondContact O-N 2.9Å; E177-Y234 WeakPolarHBondContact CG-OH 3.44Å |
| 178 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.2 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G174 V175 E181 V182 | G174-G178 PolarHBondContact O-N 2.73Å; V175-G178 PolarHBondContact O-N 3.31Å; G178-E181 WeakPolarHBondContact O-CB 3.44Å; G178-E181 PolarHBondContact O-N 3.13Å; G178-V182 WeakPolarHBondContact O-CG2 2.94Å; G178-V182 PolarHBondContact O-N 2.86Å; G178-V182 VanDerWaalsContact O-N 3.12Å |
| 179 | M | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.7 | -38.8 | 176.6 | -74.4 | 175 | 72.9 | 0 | 0 | 112 | V148 V162 V175 V176 E177 V182 G183 W184 V187 I189 M240 | V148-M179 HydrophobicContact CG1-CG 3.89Å; V148-M179 HydrophobicContact CG2-CG 4.1Å; V162-M179 HydrophobicContact CG2-CE 4.49Å; V162-M179 HydrophobicContact CG2-SD 4.4Å; V175-M179 HydrophobicContact CG1-CG 4.2Å; V175-M179 HydrophobicContact CG1-SD 3.55Å; V175-M179 VanDerWaalsContact CG1-SD 3.55Å; V175-M179 VanDerWaalsContact O-CB 3.28Å; V175-M179 WeakPolarHBondContact O-CB 3.49Å; V175-M179 WeakPolarHBondContact O-CG 3.33Å; V175-M179 PolarHBondContact O-N 3.37Å; V176-M179 PolarHBondContact O-N 3.03Å; E177-M179 VanDerWaalsContact C-N 3.31Å; E177-M179 PolarHBondContact O-N 3.45Å; M179-V182 PolarHBondContact O-N 2.56Å; M179-G183 PolarHBondContact O-N 2.85Å; M179-W184 HydrophobicContact CB-CB 4.1Å; M179-W184 HydrophobicContact CE-CB 4.22Å; M179-W184 WeakPolarHBondContact CE-O 3.18Å; M179-W184 HydrophobicContact CG-CB 4.28Å; M179-W184 WeakPolarHBondContact O-CA 3.23Å; M179-W184 PolarHBondContact O-N 3.49Å; M179-V187 HydrophobicContact CE-CB 3.45Å; M179-V187 VanDerWaalsContact CE-CB 3.45Å; M179-V187 HydrophobicContact CE-CG1 3.67Å; M179-V187 WeakPolarHBondContact CE-O 3.41Å; M179-I189 HydrophobicContact CE-CD1 4.26Å; M179-I189 HydrophobicContact CE-CG1 3.9Å; M179-I189 HydrophobicContact SD-CD1 3.54Å; M179-I189 VanDerWaalsContact SD-CD1 3.54Å; M179-I189 HydrophobicContact SD-CG1 3.6Å; M179-I189 VanDerWaalsContact SD-CG1 3.6Å; M179-M240 HydrophobicContact CB-CE 3.96Å; M179-M240 HydrophobicContact CE-CE 4.39Å; M179-M240 HydrophobicContact SD-CE 4.5Å |
| 180 | K | 98 | Very high | 98.2 | Very high | 83 Ų | 83 | 21.4 Ų | 21.4 | 36% | 0.361 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 172.5 | -74 | 176.7 | 175.2 | -178.5 | 0 | 110.6 | V176 E177 V182 G183 E237 M240 | V176-K180 HydrophobicContact CG1-CD 4.12Å; V176-K180 HydrophobicContact CG1-CG 4.49Å; V176-K180 WeakPolarHBondContact O-CG 3.35Å; V176-K180 PolarHBondContact O-N 3.25Å; E177-K180 PolarHBondContact O-N 3.46Å; K180-V182 VanDerWaalsContact C-N 3.34Å; K180-V182 PolarHBondContact O-N 3.04Å; K180-G183 PolarHBondContact O-N 3.24Å; K180-E237 IonicContact NZ-OE2 3.3Å; K180-M240 HydrophobicContact CD-SD 4.39Å; K180-M240 HydrophobicContact CG-SD 3.82Å |
| 181 | E | 97.9 | Very high | 98.3 | Very high | 102 Ų | 102 | 21.2 Ų | 21.2 | 48% | 0.477 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -57.9 | -41.4 | 178.4 | -71.7 | 174.5 | -169 | 0 | 0 | 113.2 | R149 E177 G178 | R149-E181 IonicContact CZ-OE1 2.67Å; R149-E181 IonicContact CZ-OE2 2.74Å; R149-E181 IonicContact NE-OE2 3.54Å; R149-E181 PolarHBondContact NE-OE2 3.35Å; R149-E181 IonicContact NH2-OE1 2.7Å; R149-E181 PolarHBondContact NH2-OE1 2.85Å; R149-E181 IonicContact NH2-OE2 3.39Å; R149-E181 PolarHBondContact NH2-OE2 3.3Å; E177-E181 WeakPolarHBondContact O-CG 3.44Å; E177-E181 PolarHBondContact O-N 2.9Å; G178-E181 WeakPolarHBondContact O-CB 3.44Å; G178-E181 PolarHBondContact O-N 3.13Å |
| 182 | V | 98.2 | Very high | 98.3 | Very high | 36 Ų | 36 | 20.9 Ų | 20.9 | 22% | 0.218 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 8.3 | -177.4 | -53.5 | 0 | 0 | 0 | 0 | 114 | V148 K152 G178 M179 K180 W184 | V148-V182 HydrophobicContact CG1-CG2 3.72Å; K152-V182 HydrophobicContact CB-CB 4.34Å; K152-V182 HydrophobicContact CB-CG1 4.05Å; K152-V182 HydrophobicContact CB-CG2 4.47Å; K152-V182 HydrophobicContact CD-CB 4.38Å; K152-V182 HydrophobicContact CG-CB 4.06Å; K152-V182 HydrophobicContact CG-CG1 4.03Å; G178-V182 WeakPolarHBondContact O-CG2 2.94Å; G178-V182 PolarHBondContact O-N 2.86Å; G178-V182 VanDerWaalsContact O-N 3.12Å; M179-V182 PolarHBondContact O-N 2.56Å; K180-V182 VanDerWaalsContact C-N 3.34Å; K180-V182 PolarHBondContact O-N 3.04Å; V182-W184 HydrophobicContact CG2-CB 4.02Å; V182-W184 HydrophobicContact CG2-CD2 3.44Å; V182-W184 VanDerWaalsContact CG2-CD2 3.44Å; V182-W184 HydrophobicContact CG2-CE3 3.67Å; V182-W184 HydrophobicContact CG2-CG 3.6Å; V182-W184 HydrophobicContact CG2-CZ3 4.36Å |
| 183 | G | 97.7 | Very high | 98.3 | Very high | 61 Ų | 61 | 20.9 Ų | 20.9 | 63% | 0.629 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 26.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | M179 K180 | M179-G183 PolarHBondContact O-N 2.85Å; K180-G183 PolarHBondContact O-N 3.24Å |
| 184 | W | 98.1 | Very high | 98.3 | Very high | 10 Ų | 10 | 20.9 Ų | 20.9 | 4% | 0.038 | 13% | 0.129 | C | C | . | . | trans | -103.9 | 21.8 | -176.4 | -69.8 | -2 | 0 | 0 | 0 | 114.4 | V148 I151 K152 L155 K158 P159 M179 V182 S186 V187 | V148-W184 HydrophobicContact CG1-CE3 3.94Å; V148-W184 HydrophobicContact CG1-CZ3 4.07Å; I151-W184 HydrophobicContact CB-CZ3 4.49Å; I151-W184 HydrophobicContact CG2-CH2 4.01Å; I151-W184 HydrophobicContact CG2-CZ3 3.87Å; K152-W184 HydrophobicContact CB-CH2 3.8Å; K152-W184 HydrophobicContact CB-CZ2 4.04Å; K152-W184 HydrophobicContact CB-CZ3 4.36Å; K152-W184 HydrophobicContact CD-CH2 3.91Å; K152-W184 HydrophobicContact CD-CZ2 3.23Å; K152-W184 HydrophobicContact CG-CH2 4.48Å; K152-W184 HydrophobicContact CG-CZ2 4.22Å; L155-W184 HydrophobicContact CD1-CH2 4.32Å; K158-W184 HydrophobicContact CB-CD2 4.25Å; K158-W184 HydrophobicContact CB-CG 4.22Å; K158-W184 HydrophobicContact CB-CZ2 4.21Å; K158-W184 VanDerWaalsContact CB-NE1 3.33Å; P159-W184 VanDerWaalsContact CD-CH2 3.44Å; P159-W184 HydrophobicContact CG-CE3 4.15Å; P159-W184 HydrophobicContact CG-CH2 4.26Å; P159-W184 HydrophobicContact CG-CZ3 3.93Å; M179-W184 HydrophobicContact CB-CB 4.1Å; M179-W184 HydrophobicContact CE-CB 4.22Å; M179-W184 WeakPolarHBondContact CE-O 3.18Å; M179-W184 HydrophobicContact CG-CB 4.28Å; M179-W184 WeakPolarHBondContact O-CA 3.23Å; M179-W184 PolarHBondContact O-N 3.49Å; V182-W184 HydrophobicContact CG2-CB 4.02Å; V182-W184 HydrophobicContact CG2-CD2 3.44Å; V182-W184 VanDerWaalsContact CG2-CD2 3.44Å; V182-W184 HydrophobicContact CG2-CE3 3.67Å; V182-W184 HydrophobicContact CG2-CG 3.6Å; V182-W184 HydrophobicContact CG2-CZ3 4.36Å; W184-S186 PolarHBondContact O-N 3.29Å; W184-V187 HydrophobicContact CB-CB 4.46Å; W184-V187 HydrophobicContact CB-CG2 4.02Å; W184-V187 HydrophobicContact CG-CG2 4.31Å; W184-V187 WeakPolarHBondContact O-CB 3.2Å; W184-V187 PolarHBondContact O-N 3.17Å | ||
| 185 | A | 95.7 | Very high | 98.2 | Very high | 38 Ų | 38 | 26 Ų | 26 | 31% | 0.314 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | M240 | A185-M240 HydrophobicContact CB-SD 3.78Š|
| 186 | S | 96.2 | Very high | 98.1 | Very high | 56 Ų | 56 | 26.6 Ų | 26.6 | 39% | 0.392 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -11.2 | 177.9 | 61.7 | 0 | 0 | 0 | 0 | 115.2 | K158 W184 K241 | K158-S186 PolarHBondContact NZ-OG 3.43Å; W184-S186 PolarHBondContact O-N 3.29Å; S186-K241 WeakPolarHBondContact O-CD 3.36Å |
| 187 | V | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -80.3 | 129.3 | -179.1 | 172.4 | 0 | 0 | 0 | 0 | 109 | K158 P159 V162 M179 W184 | K158-V187 HydrophobicContact CB-CG2 4.15Å; K158-V187 HydrophobicContact CD-CG2 4Å; K158-V187 HydrophobicContact CG-CG2 4.28Å; P159-V187 HydrophobicContact CG-CG1 4.1Å; P159-V187 WeakPolarHBondContact O-CG2 3.24Å; V162-V187 HydrophobicContact CG2-CG1 4.24Å; M179-V187 HydrophobicContact CE-CB 3.45Å; M179-V187 VanDerWaalsContact CE-CB 3.45Å; M179-V187 HydrophobicContact CE-CG1 3.67Å; M179-V187 WeakPolarHBondContact CE-O 3.41Å; W184-V187 HydrophobicContact CB-CB 4.46Å; W184-V187 HydrophobicContact CB-CG2 4.02Å; W184-V187 HydrophobicContact CG-CG2 4.31Å; W184-V187 WeakPolarHBondContact O-CB 3.2Å; W184-V187 PolarHBondContact O-N 3.17Å |
| 188 | P | 98.6 | Very high | 98 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 10% | 0.097 | 16% | 0.159 | C | C | . | . | trans | -68.9 | 137.8 | 178.7 | 27.6 | -33.1 | 0 | 0 | 0 | 112.4 | G160 A161 V162 K241 I243 L292 | G160-P188 WeakPolarHBondContact O-CD 3.19Å; G160-P188 VanDerWaalsContact O-CG 3.22Å; G160-P188 WeakPolarHBondContact O-CG 3.18Å; A161-P188 CarbonylContact C-O 3.42Å; A161-P188 WeakPolarHBondContact CA-O 3.3Å; A161-P188 HydrophobicContact CB-CG 3.86Å; V162-P188 PolarHBondContact N-O 2.9Å; P188-K241 CarbonylContact C-O 3.56Å; P188-K241 VanDerWaalsContact CA-O 3.24Å; P188-K241 WeakPolarHBondContact CA-O 3.45Å; P188-K241 HydrophobicContact CB-CB 4.23Å; P188-I243 HydrophobicContact CB-CD1 4.27Å; P188-L292 HydrophobicContact CB-CD2 3.9Å; P188-L292 HydrophobicContact CG-CD2 3.69Å | ||
| 189 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117.2 | 171.4 | -53.2 | 172.7 | 0 | 0 | 0 | 108 | V162 L164 L172 V175 V176 M179 M240 K241 I242 I243 | V162-I189 CarbonylContact O-C 3.47Å; V162-I189 VanDerWaalsContact O-CA 3.28Å; V162-I189 WeakPolarHBondContact O-CA 3.43Å; L164-I189 HydrophobicContact CD2-CG2 3.67Å; L164-I189 HydrophobicContact CG-CG2 4.07Å; L172-I189 HydrophobicContact CD1-CD1 4.2Å; L172-I189 HydrophobicContact CD1-CG2 3.99Å; V175-I189 HydrophobicContact CG1-CD1 4.12Å; V176-I189 HydrophobicContact CG2-CD1 3.6Å; M179-I189 HydrophobicContact CE-CD1 4.26Å; M179-I189 HydrophobicContact CE-CG1 3.9Å; M179-I189 HydrophobicContact SD-CD1 3.54Å; M179-I189 VanDerWaalsContact SD-CD1 3.54Å; M179-I189 HydrophobicContact SD-CG1 3.6Å; M179-I189 VanDerWaalsContact SD-CG1 3.6Å; I189-M240 HydrophobicContact CD1-CE 4.13Å; I189-K241 PolarHBondContact N-O 2.88Å; I189-I242 HydrophobicContact CB-CG1 4.5Å; I189-I242 HydrophobicContact CD1-CG1 4.37Å; I189-I243 PolarHBondContact O-N 3.22Å |
| 190 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 110.1 | 173.7 | -57.9 | 83.9 | 0 | 0 | 0 | 107.7 | A161 V162 V163 L164 M192 E245 I283 L286 L292 | A161-I190 HydrophobicContact CB-CD1 3.59Å; V162-I190 PolarHBondContact O-N 3.27Å; V163-I190 WeakPolarHBondContact CA-O 3.49Å; V163-I190 HydrophobicContact CG1-CB 4.43Å; V163-I190 HydrophobicContact CG2-CB 4.21Å; V163-I190 HydrophobicContact CG2-CD1 4.26Å; L164-I190 PolarHBondContact N-O 3.42Å; I190-M192 HydrophobicContact CG2-CG 4.25Å; I190-M192 HydrophobicContact CG2-SD 3.48Å; I190-M192 WeakPolarHBondContact CG2-SD 3.43Å; I190-E245 HydrophobicContact CG2-CG 4.36Å; I190-I283 HydrophobicContact CD1-CD1 4.37Å; I190-I283 HydrophobicContact CG1-CD1 4.35Å; I190-L286 HydrophobicContact CG1-CD1 4.12Å; I190-L286 HydrophobicContact CG2-CD1 4.34Å; I190-L292 HydrophobicContact CD1-CD1 4.28Å; I190-L292 HydrophobicContact CD1-CD2 4.47Å; I190-L292 HydrophobicContact CG1-CD1 4.4Å |
| 191 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110.8 | -180 | -67.5 | 0 | 0 | 0 | 0 | 109.2 | V166 F200 I242 I243 E245 | V166-C191 HydrophobicContact CG2-CB 3.59Å; C191-F200 HydrophobicContact CB-CD1 4.04Å; C191-F200 HydrophobicContact CB-CE1 3.62Å; C191-I242 VanDerWaalsContact SG-CG2 3.56Å; C191-I243 PolarHBondContact N-O 3.15Å; C191-E245 PolarHBondContact O-N 3.21Å |
| 192 | M | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.4 | -177.3 | -58.2 | -58.4 | -63 | 0 | 0 | 111.3 | V163 L164 S165 V166 I190 E245 V247 A273 A277 V282 | V163-M192 HydrophobicContact CG1-CG 3.8Å; L164-M192 PolarHBondContact O-N 2.9Å; S165-M192 CarbonylContact C-O 3.32Å; S165-M192 WeakPolarHBondContact CA-O 3.44Å; V166-M192 PolarHBondContact N-O 3.48Å; I190-M192 HydrophobicContact CG2-CG 4.25Å; I190-M192 HydrophobicContact CG2-SD 3.48Å; I190-M192 WeakPolarHBondContact CG2-SD 3.43Å; M192-E245 HydrophobicContact CE-CB 4.21Å; M192-E245 HydrophobicContact SD-CB 3.74Å; M192-V247 HydrophobicContact CE-CG1 3.62Å; M192-A273 HydrophobicContact CB-CB 4.44Å; M192-A273 VanDerWaalsContact CB-O 3.26Å; M192-A273 WeakPolarHBondContact CB-O 3.38Å; M192-A273 WeakPolarHBondContact CG-O 3.39Å; M192-A277 HydrophobicContact CE-CB 4.15Å; M192-A277 HydrophobicContact CG-CB 4.13Å; M192-A277 HydrophobicContact SD-CB 3.9Å; M192-V282 HydrophobicContact CE-CG1 4.35Å; M192-V282 HydrophobicContact CE-CG2 4.03Å; M192-V282 HydrophobicContact SD-CG1 4.42Å |
| 193 | E | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 161.1 | 170.8 | -77.5 | 170.1 | 122.9 | 0 | 0 | 110.5 | V166 D198 C199 F200 N201 E245 L246 V247 | V166-E193 HydrophobicContact CB-CG 3.94Å; V166-E193 VanDerWaalsContact O-CG 3.26Å; V166-E193 WeakPolarHBondContact O-CG 3.23Å; E193-D198 HydrophobicContact CB-CB 4.18Å; E193-D198 VanDerWaalsContact OE1-C 3.23Å; E193-D198 WeakPolarHBondContact OE1-CA 3.47Å; E193-C199 PolarHBondContact OE1-N 3.21Å; E193-C199 VanDerWaalsContact OE1-N 3.11Å; E193-F200 VanDerWaalsContact OE1-CB 3.29Å; E193-F200 WeakPolarHBondContact OE1-CB 3.46Å; E193-F200 PolarHBondContact OE1-N 3.35Å; E193-F200 WeakPolarHBondContact OE2-CB 3.35Å; E193-N201 WeakPolarHBondContact OE2-CB 3.47Å; E193-N201 PolarHBondContact OE2-N 2.73Å; E193-E245 PolarHBondContact N-O 2.94Å; E193-E245 VanDerWaalsContact N-O 3.1Å; E193-L246 HydrophobicContact CB-CD2 3.62Å; E193-L246 WeakPolarHBondContact O-CA 3.48Å; E193-V247 PolarHBondContact O-N 3.04Å |
| 194 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 141.6 | 167 | 46.4 | 0 | 0 | 0 | 0 | 110.9 | G196 A197 D198 S217 A219 L222 V247 D249 A252 A273 | T194-G196 PolarHBondContact O-N 3.3Å; T194-A197 CarbonylContact O-C 3.57Å; T194-A197 PolarHBondContact O-N 2.82Å; T194-D198 PolarHBondContact O-N 3.19Å; T194-S217 WeakPolarHBondContact CB-OG 3.17Å; T194-S217 PolarHBondContact OG1-OG 2.9Å; T194-A219 HydrophobicContact CG2-CB 3.96Å; T194-A219 WeakPolarHBondContact OG1-CB 3.45Å; T194-L222 HydrophobicContact CG2-CD1 4.21Å; T194-V247 CarbonylContact C-O 3.51Å; T194-V247 WeakPolarHBondContact CA-O 3.49Å; T194-V247 HydrophobicContact CG2-CG2 4.36Å; T194-D249 WeakPolarHBondContact CB-OD1 3.28Å; T194-D249 WeakPolarHBondContact CG2-OD1 3.49Å; T194-A252 HydrophobicContact CG2-CB 3.94Å; T194-A273 HydrophobicContact CG2-CB 4.02Å |
| 195 | E | 98.5 | Very high | 98 | Very high | 107 Ų | 107 | 23.5 Ų | 23.5 | 50% | 0.5 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 122.8 | 169 | -65.5 | 178.9 | -177.6 | 0 | 0 | 110.8 | S217 L246 V247 | E195-S217 WeakPolarHBondContact O-CB 3.22Å; E195-L246 HydrophobicContact CG-CB 4.29Å; E195-L246 HydrophobicContact CG-CD1 4.35Å; E195-V247 PolarHBondContact N-O 3.28Å |
| 196 | G | 96.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 12% | 0.124 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | -1.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | T194 D198 I215 T216 S217 | T194-G196 PolarHBondContact O-N 3.3Å; G196-D198 WeakPolarHBondContact CA-OD1 3.44Å; G196-D198 PolarHBondContact N-OD1 3.46Å; G196-I215 CarbonylContact O-C 3.3Å; G196-I215 WeakPolarHBondContact O-CA 3.44Å; G196-T216 WeakPolarHBondContact CA-OG1 3.41Å; G196-T216 PolarHBondContact O-N 2.87Å; G196-S217 PolarHBondContact O-N 3.05Å |
| 197 | A | 96.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -139 | 41.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T194 I215 L222 | T194-A197 CarbonylContact O-C 3.57Å; T194-A197 PolarHBondContact O-N 2.82Å; A197-I215 HydrophobicContact CB-CG2 4.17Å; A197-L222 HydrophobicContact CB-CB 3.88Å |
| 198 | D | 97.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | trans | -108.1 | 43 | -165.6 | 56.7 | -52.8 | 0 | 0 | 0 | 113.6 | E193 T194 G196 F200 N201 A202 L246 | E193-D198 HydrophobicContact CB-CB 4.18Å; E193-D198 VanDerWaalsContact OE1-C 3.23Å; E193-D198 WeakPolarHBondContact OE1-CA 3.47Å; T194-D198 PolarHBondContact O-N 3.19Å; G196-D198 WeakPolarHBondContact CA-OD1 3.44Å; G196-D198 PolarHBondContact N-OD1 3.46Å; D198-F200 VanDerWaalsContact C-N 3.25Å; D198-F200 PolarHBondContact O-N 3.29Å; D198-N201 HydrophobicContact CB-CB 4.24Å; D198-N201 PolarHBondContact O-N 3.11Å; D198-A202 WeakPolarHBondContact O-CB 3.46Å; D198-A202 PolarHBondContact O-N 3.36Å; D198-L246 HydrophobicContact CB-CD1 4.26Å; D198-L246 HydrophobicContact CB-CD2 3.53Å | ||
| 199 | C | 97.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -31.1 | -173.3 | 70.4 | 0 | 0 | 0 | 0 | 113.4 | G167 E193 A203 L212 S224 K225 | G167-C199 PolarHBondContact O-SG 2.76Å; E193-C199 PolarHBondContact OE1-N 3.21Å; E193-C199 VanDerWaalsContact OE1-N 3.11Å; C199-A203 WeakPolarHBondContact O-CB 3.44Å; C199-A203 PolarHBondContact O-N 3.46Å; C199-A203 VanDerWaalsContact O-N 3.14Å; C199-L212 HydrophobicContact CB-CD1 3.98Å; C199-L212 HydrophobicContact CB-CG 4.15Å; C199-S224 WeakPolarHBondContact CB-O 3.43Å; C199-S224 PolarHBondContact SG-O 3Å; C199-S224 VanDerWaalsContact SG-O 3.33Å; C199-K225 WeakPolarHBondContact CB-O 3.36Å |
| 200 | F | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.1 | -48 | 177.5 | 176.5 | -117 | 0 | 0 | 0 | 110.9 | V166 L172 C191 E193 D198 A202 A203 V204 V227 A231 I235 I242 | V166-F200 HydrophobicContact CB-CB 4.45Å; V166-F200 HydrophobicContact CB-CD1 4.46Å; V166-F200 HydrophobicContact CG1-CB 3.61Å; V166-F200 HydrophobicContact CG1-CD1 4.17Å; V166-F200 HydrophobicContact CG1-CG 3.97Å; V166-F200 HydrophobicContact CG2-CD1 4.25Å; L172-F200 HydrophobicContact CD2-CD2 4.5Å; L172-F200 HydrophobicContact CD2-CE1 3.89Å; L172-F200 HydrophobicContact CD2-CE2 3.73Å; L172-F200 HydrophobicContact CD2-CZ 3.33Å; C191-F200 HydrophobicContact CB-CD1 4.04Å; C191-F200 HydrophobicContact CB-CE1 3.62Å; E193-F200 VanDerWaalsContact OE1-CB 3.29Å; E193-F200 WeakPolarHBondContact OE1-CB 3.46Å; E193-F200 PolarHBondContact OE1-N 3.35Å; E193-F200 WeakPolarHBondContact OE2-CB 3.35Å; D198-F200 VanDerWaalsContact C-N 3.25Å; D198-F200 PolarHBondContact O-N 3.29Å; F200-A202 VanDerWaalsContact C-N 3.29Å; F200-A202 PolarHBondContact O-N 2.88Å; F200-A203 WeakPolarHBondContact O-CB 3.3Å; F200-A203 PolarHBondContact O-N 3.18Å; F200-A203 VanDerWaalsContact O-N 3.1Å; F200-V204 HydrophobicContact CD2-CG2 4.36Å; F200-V204 HydrophobicContact CE1-CG2 4.41Å; F200-V204 HydrophobicContact CE2-CG2 4.23Å; F200-V204 HydrophobicContact CZ-CG2 4.3Å; F200-V204 VanDerWaalsContact O-CG2 3.31Å; F200-V204 WeakPolarHBondContact O-CG2 3.25Å; F200-V204 PolarHBondContact O-N 2.89Å; F200-V227 HydrophobicContact CB-CB 4.27Å; F200-V227 HydrophobicContact CB-CG2 3.98Å; F200-V227 HydrophobicContact CD2-CG1 4.39Å; F200-V227 HydrophobicContact CD2-CG2 3.88Å; F200-V227 HydrophobicContact CG-CG2 4.35Å; F200-A231 HydrophobicContact CD2-CB 4.49Å; F200-A231 HydrophobicContact CE2-CB 4.26Å; F200-I235 HydrophobicContact CE1-CD1 3.83Å; F200-I235 HydrophobicContact CE2-CD1 3.59Å; F200-I235 HydrophobicContact CE2-CG1 4.28Å; F200-I235 HydrophobicContact CZ-CD1 3.09Å; F200-I235 HydrophobicContact CZ-CG1 3.91Å; F200-I242 HydrophobicContact CE1-CG2 4.12Å; F200-I242 HydrophobicContact CZ-CG2 3.92Å |
| 201 | N | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.053 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57 | -42.7 | 174.1 | -170.5 | -94.7 | 0 | 0 | 0 | 112.2 | E193 D198 A203 V204 K205 S244 L246 | E193-N201 WeakPolarHBondContact OE2-CB 3.47Å; E193-N201 PolarHBondContact OE2-N 2.73Å; D198-N201 HydrophobicContact CB-CB 4.24Å; D198-N201 PolarHBondContact O-N 3.11Å; N201-A203 VanDerWaalsContact C-N 3.33Å; N201-A203 PolarHBondContact O-N 3.09Å; N201-V204 PolarHBondContact O-N 3.42Å; N201-K205 WeakPolarHBondContact O-CB 3.29Å; N201-K205 WeakPolarHBondContact O-CG 3.36Å; N201-K205 PolarHBondContact O-N 2.91Å; N201-K205 VanDerWaalsContact OD1-CD 3.28Å; N201-K205 WeakPolarHBondContact OD1-CD 2.85Å; N201-K205 WeakPolarHBondContact OD1-CE 3.42Å; N201-K205 PolarHBondContact OD1-NZ 2.92Å; N201-S244 WeakPolarHBondContact CA-OG 3.39Å; N201-S244 WeakPolarHBondContact CB-OG 3.06Å; N201-S244 PolarHBondContact ND2-OG 2.72Å; N201-L246 HydrophobicContact CB-CD1 4.35Å; N201-L246 HydrophobicContact CB-CD2 3.67Å; N201-L246 HydrophobicContact CB-CG 4.16Å; N201-L246 WeakPolarHBondContact OD1-CD1 3.46Å |
| 202 | A | 98.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D198 F200 A206 V210 L212 | D198-A202 WeakPolarHBondContact O-CB 3.46Å; D198-A202 PolarHBondContact O-N 3.36Å; F200-A202 VanDerWaalsContact C-N 3.29Å; F200-A202 PolarHBondContact O-N 2.88Å; A202-A206 VanDerWaalsContact O-CB 3.25Å; A202-A206 WeakPolarHBondContact O-CB 3.24Å; A202-A206 PolarHBondContact O-N 2.91Å; A202-V210 HydrophobicContact CB-CG2 3.56Å; A202-L212 HydrophobicContact CB-CD2 3.94Å |
| 203 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C199 F200 N201 A206 G207 K208 V210 V227 F232 | C199-A203 WeakPolarHBondContact O-CB 3.44Å; C199-A203 PolarHBondContact O-N 3.46Å; C199-A203 VanDerWaalsContact O-N 3.14Å; F200-A203 WeakPolarHBondContact O-CB 3.3Å; F200-A203 PolarHBondContact O-N 3.18Å; F200-A203 VanDerWaalsContact O-N 3.1Å; N201-A203 VanDerWaalsContact C-N 3.33Å; N201-A203 PolarHBondContact O-N 3.09Å; A203-A206 PolarHBondContact O-N 3.28Å; A203-G207 PolarHBondContact O-N 3.5Å; A203-K208 WeakPolarHBondContact CA-O 3.28Å; A203-K208 WeakPolarHBondContact CB-O 3.34Å; A203-K208 PolarHBondContact O-N 3.03Å; A203-V210 HydrophobicContact CB-CG2 4.39Å; A203-V227 HydrophobicContact CB-CG1 4Å; A203-F232 HydrophobicContact CB-CD2 4.03Å |
| 204 | V | 97.8 | Very high | 97 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 30% | 0.297 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 111 | F200 N201 A206 G207 I235 | F200-V204 HydrophobicContact CD2-CG2 4.36Å; F200-V204 HydrophobicContact CE1-CG2 4.41Å; F200-V204 HydrophobicContact CE2-CG2 4.23Å; F200-V204 HydrophobicContact CZ-CG2 4.3Å; F200-V204 VanDerWaalsContact O-CG2 3.31Å; F200-V204 WeakPolarHBondContact O-CG2 3.25Å; F200-V204 PolarHBondContact O-N 2.89Å; N201-V204 PolarHBondContact O-N 3.42Å; V204-A206 VanDerWaalsContact C-N 3.31Å; V204-A206 PolarHBondContact O-N 2.99Å; V204-G207 PolarHBondContact O-N 3.12Å; V204-I235 HydrophobicContact CG1-CD1 4.5Å; V204-I235 HydrophobicContact CG2-CD1 3.23Å; V204-I235 HydrophobicContact CG2-CG2 4.44Å |
| 205 | K | 98 | Very high | 96.7 | Very high | 153 Ų | 153 | 52 Ų | 52 | 67% | 0.665 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 177.7 | -76.6 | 174.9 | 174.1 | 158.1 | 0 | 112.3 | N201 G207 | N201-K205 WeakPolarHBondContact O-CB 3.29Å; N201-K205 WeakPolarHBondContact O-CG 3.36Å; N201-K205 PolarHBondContact O-N 2.91Å; N201-K205 VanDerWaalsContact OD1-CD 3.28Å; N201-K205 WeakPolarHBondContact OD1-CD 2.85Å; N201-K205 WeakPolarHBondContact OD1-CE 3.42Å; N201-K205 PolarHBondContact OD1-NZ 2.92Å; K205-G207 VanDerWaalsContact C-N 3.32Å |
| 206 | A | 97.9 | Very high | 96.5 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -78.3 | -14.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A202 A203 V204 K208 V210 | A202-A206 VanDerWaalsContact O-CB 3.25Å; A202-A206 WeakPolarHBondContact O-CB 3.24Å; A202-A206 PolarHBondContact O-N 2.91Å; A203-A206 PolarHBondContact O-N 3.28Å; V204-A206 VanDerWaalsContact C-N 3.31Å; V204-A206 PolarHBondContact O-N 2.99Å; A206-K208 HydrophobicContact CB-CG 4.23Å; A206-K208 PolarHBondContact O-N 3.5Å; A206-V210 HydrophobicContact CB-CG1 3.64Å |
| 207 | G | 97.7 | Very high | 96.5 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 59% | 0.588 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 18.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A203 V204 K205 F232 | A203-G207 PolarHBondContact O-N 3.5Å; V204-G207 PolarHBondContact O-N 3.12Å; K205-G207 VanDerWaalsContact C-N 3.32Å; G207-F232 WeakPolarHBondContact O-CZ 3.47Å |
| 208 | K | 97.6 | Very high | 96.4 | Very high | 136 Ų | 136 | 54.1 Ų | 54.1 | 59% | 0.591 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -160.4 | 159.3 | 177.5 | 64 | -177.8 | -179.9 | -179.5 | 0 | 110 | A203 A206 V210 | A203-K208 WeakPolarHBondContact CA-O 3.28Å; A203-K208 WeakPolarHBondContact CB-O 3.34Å; A203-K208 PolarHBondContact O-N 3.03Å; A206-K208 HydrophobicContact CB-CG 4.23Å; A206-K208 PolarHBondContact O-N 3.5Å; K208-V210 HydrophobicContact CG-CG1 4.35Å; K208-V210 PolarHBondContact O-N 3.35Å |
| 209 | I | 97.3 | Very high | 96.2 | Very high | 69 Ų | 69 | 52.9 Ų | 52.9 | 35% | 0.354 | 31% | 0.307 | S | S | . | . | trans | -59.1 | 132.2 | 172.3 | -60.6 | 173.9 | 0 | 0 | 0 | 109.6 | T226 F232 | I209-T226 HydrophobicContact CG2-CG2 3.39Å; I209-F232 HydrophobicContact CD1-CB 4.49Å; I209-F232 HydrophobicContact CG1-CB 3.95Å; I209-F232 HydrophobicContact CG1-CD1 3.91Å; I209-F232 HydrophobicContact CG1-CG 3.9Å | ||
| 210 | V | 96.5 | Very high | 95.7 | Very high | 38 Ų | 38 | 58.3 Ų | 58.3 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | trans | -130.4 | 156.5 | 175.4 | -62.6 | 0 | 0 | 0 | 0 | 109.7 | A202 A203 A206 K208 | A202-V210 HydrophobicContact CB-CG2 3.56Å; A203-V210 HydrophobicContact CB-CG2 4.39Å; A206-V210 HydrophobicContact CB-CG1 3.64Å; K208-V210 HydrophobicContact CG-CG1 4.35Å; K208-V210 PolarHBondContact O-N 3.35Å | ||
| 211 | T | 96.9 | Very high | 95.2 | Very high | 96 Ų | 96 | 60.9 Ų | 60.9 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | trans | -111.4 | 121.4 | 175.3 | -59.4 | 0 | 0 | 0 | 0 | 108.5 | K225 T226 | T211-K225 CarbonylContact C-O 3.45Å; T211-K225 WeakPolarHBondContact CA-O 3.31Å; T211-K225 HydrophobicContact CG2-CB 3.9Å; T211-T226 WeakPolarHBondContact CB-OG1 3.41Å; T211-T226 WeakPolarHBondContact CG2-OG1 3.27Å; T211-T226 PolarHBondContact OG1-OG1 3.43Å | ||
| 212 | L | 94.1 | Very high | 94.9 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | trans | -62.6 | 139.1 | 172.1 | -61.2 | 179.7 | 0 | 0 | 0 | 109.6 | C199 A202 D214 I215 K225 | C199-L212 HydrophobicContact CB-CD1 3.98Å; C199-L212 HydrophobicContact CB-CG 4.15Å; A202-L212 HydrophobicContact CB-CD2 3.94Å; L212-D214 VanDerWaalsContact C-N 3.28Å; L212-D214 PolarHBondContact O-N 2.88Å; L212-I215 HydrophobicContact CD1-CD1 4.06Å; L212-K225 HydrophobicContact CB-CB 4.46Å; L212-K225 PolarHBondContact N-O 3.03Å; L212-K225 WeakPolarHBondContact O-CD 3.33Å | ||
| 213 | P | 92.6 | Very high | 94.3 | Very high | 121 Ų | 121 | 61 Ų | 61 | 79% | 0.786 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -62.8 | -40.2 | 178.3 | 25.3 | -33 | 0 | 0 | 0 | 111 | K225 | P213-K225 PolarHBondContact O-NZ 3.35Š|
| 214 | D | 92 | Very high | 93.9 | Very high | 99 Ų | 99 | 62.1 Ų | 62.1 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | trans | -152 | 166.9 | 177.6 | -155.4 | 11.1 | 0 | 0 | 0 | 112.6 | L212 K225 | L212-D214 VanDerWaalsContact C-N 3.28Å; L212-D214 PolarHBondContact O-N 2.88Å; D214-K225 IonicContact OD1-NZ 2.72Å | ||
| 215 | I | 91.8 | Very high | 93.7 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | trans | -102 | 101.3 | 173.9 | -56.3 | -56.4 | 0 | 0 | 0 | 109.5 | G196 A197 L212 K225 | G196-I215 CarbonylContact O-C 3.3Å; G196-I215 WeakPolarHBondContact O-CA 3.44Å; A197-I215 HydrophobicContact CB-CG2 4.17Å; L212-I215 HydrophobicContact CD1-CD1 4.06Å; I215-K225 HydrophobicContact CD1-CG 3.92Å; I215-K225 HydrophobicContact CG1-CG 4.03Å | ||
| 216 | T | 95.3 | Very high | 93.5 | Very high | 102 Ų | 102 | 58.1 Ų | 58.1 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | trans | -92.9 | -21.6 | -177.4 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | G196 | G196-T216 WeakPolarHBondContact CA-OG1 3.41Å; G196-T216 PolarHBondContact O-N 2.87Å | ||
| 217 | S | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -66.1 | 146.9 | 176.7 | 166.1 | 0 | 0 | 0 | 0 | 112.1 | T194 E195 G196 A219 K220 D249 | T194-S217 WeakPolarHBondContact CB-OG 3.17Å; T194-S217 PolarHBondContact OG1-OG 2.9Å; E195-S217 WeakPolarHBondContact O-CB 3.22Å; G196-S217 PolarHBondContact O-N 3.05Å; S217-A219 PolarHBondContact O-N 3.38Å; S217-A219 WeakPolarHBondContact OG-CB 3.43Å; S217-A219 PolarHBondContact OG-N 3.06Å; S217-K220 WeakPolarHBondContact O-CD 3.49Å; S217-K220 VanDerWaalsContact O-CE 3.28Å; S217-K220 WeakPolarHBondContact O-CE 3.49Å; S217-K220 PolarHBondContact O-NZ 3.23Å; S217-D249 VanDerWaalsContact CA-OD2 3.25Å; S217-D249 WeakPolarHBondContact CA-OD2 3.42Å; S217-D249 PolarHBondContact OG-OD1 2.82Å; S217-D249 PolarHBondContact OG-OD2 3.38Å |
| 218 | E | 94.8 | Very high | 93.3 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -72.1 | -14.4 | 169.6 | -68 | -56.6 | 153.3 | 0 | 0 | 113 | K220 D249 L269 L318 V321 L322 | E218-K220 PolarHBondContact O-N 3.12Å; E218-D249 PolarHBondContact N-OD2 3.26Å; E218-L269 HydrophobicContact CB-CD2 3.81Å; E218-L318 HydrophobicContact CB-CD2 3.87Å; E218-L318 HydrophobicContact CG-CD2 4.38Å; E218-V321 HydrophobicContact CG-CG1 4.18Å; E218-L322 HydrophobicContact CB-CD2 4.47Å; E218-L322 HydrophobicContact CG-CD2 3.87Å; E218-L322 HydrophobicContact CG-CG 4.43Å |
| 219 | A | 92.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | trans | -77.7 | 61.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T194 S217 C221 L222 L269 | T194-A219 HydrophobicContact CG2-CB 3.96Å; T194-A219 WeakPolarHBondContact OG1-CB 3.45Å; S217-A219 PolarHBondContact O-N 3.38Å; S217-A219 WeakPolarHBondContact OG-CB 3.43Å; S217-A219 PolarHBondContact OG-N 3.06Å; A219-C221 PolarHBondContact O-N 3.35Å; A219-L222 HydrophobicContact CB-CD1 4Å; A219-L222 HydrophobicContact CB-CG 4.21Å; A219-L222 WeakPolarHBondContact O-CB 3.39Å; A219-L222 PolarHBondContact O-N 2.86Å; A219-L269 HydrophobicContact CB-CB 3.96Å; A219-L269 HydrophobicContact CB-CD2 4Å; A219-L269 HydrophobicContact CB-CG 4.06Å | ||
| 220 | K | 88.3 | Confident | 93.2 | Very high | 115 Ų | 115 | 48.8 Ų | 48.8 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -54.6 | -25.5 | -173.8 | -55.6 | -54.3 | 179.7 | -166 | 0 | 114.3 | S217 E218 L222 G223 | S217-K220 WeakPolarHBondContact O-CD 3.49Å; S217-K220 VanDerWaalsContact O-CE 3.28Å; S217-K220 WeakPolarHBondContact O-CE 3.49Å; S217-K220 PolarHBondContact O-NZ 3.23Å; E218-K220 PolarHBondContact O-N 3.12Å; K220-L222 VanDerWaalsContact C-N 3.27Å; K220-L222 PolarHBondContact O-N 2.97Å; K220-G223 PolarHBondContact O-N 3.44Å |
| 221 | C | 86.9 | Confident | 93.3 | Very high | 53 Ų | 53 | 47 Ų | 47 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -69.4 | -19.4 | 174.9 | -73.5 | 0 | 0 | 0 | 0 | 114.5 | A219 E268 A270 | A219-C221 PolarHBondContact O-N 3.35Å; C221-E268 PolarHBondContact SG-OE2 2.68Å; C221-A270 HydrophobicContact CB-CB 3.72Å |
| 222 | L | 91.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -86.1 | -14.7 | 168.8 | -57 | -179 | 0 | 0 | 0 | 112.2 | V166 G167 T194 A197 A219 K220 S224 A270 A273 | V166-L222 WeakPolarHBondContact O-CD2 3.29Å; G167-L222 VanDerWaalsContact CA-O 3.3Å; G167-L222 WeakPolarHBondContact CA-O 3.48Å; T194-L222 HydrophobicContact CG2-CD1 4.21Å; A197-L222 HydrophobicContact CB-CB 3.88Å; A219-L222 HydrophobicContact CB-CD1 4Å; A219-L222 HydrophobicContact CB-CG 4.21Å; A219-L222 WeakPolarHBondContact O-CB 3.39Å; A219-L222 PolarHBondContact O-N 2.86Å; K220-L222 VanDerWaalsContact C-N 3.27Å; K220-L222 PolarHBondContact O-N 2.97Å; L222-S224 PolarHBondContact O-N 2.9Å; L222-A270 HydrophobicContact CD1-CB 4.33Å; L222-A270 HydrophobicContact CD2-CB 3.61Å; L222-A270 HydrophobicContact CG-CB 3.61Å; L222-A273 HydrophobicContact CD1-CB 3.94Å |
| 223 | G | 87 | Confident | 93.4 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | trans | -68.6 | 53.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | K220 | K220-G223 PolarHBondContact O-N 3.44Š| ||
| 224 | S | 90.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | trans | -83.3 | 130.3 | 160.5 | -164.9 | 0 | 0 | 0 | 0 | 108.4 | F135 C199 L222 T226 | F135-S224 WeakPolarHBondContact CZ-OG 3.37Å; C199-S224 WeakPolarHBondContact CB-O 3.43Å; C199-S224 PolarHBondContact SG-O 3Å; C199-S224 VanDerWaalsContact SG-O 3.33Å; L222-S224 PolarHBondContact O-N 2.9Å; S224-T226 VanDerWaalsContact C-N 3.26Å; S224-T226 PolarHBondContact O-N 3.09Å; S224-T226 PolarHBondContact OG-O 3.19Å | ||
| 225 | K | 93.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 37.1 Ų | 37.1 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -71.4 | -26.6 | 175.8 | -67.4 | -172.7 | 176 | -162.9 | 0 | 112.3 | C199 T211 L212 P213 D214 I215 | C199-K225 WeakPolarHBondContact CB-O 3.36Å; T211-K225 CarbonylContact C-O 3.45Å; T211-K225 WeakPolarHBondContact CA-O 3.31Å; T211-K225 HydrophobicContact CG2-CB 3.9Å; L212-K225 HydrophobicContact CB-CB 4.46Å; L212-K225 PolarHBondContact N-O 3.03Å; L212-K225 WeakPolarHBondContact O-CD 3.33Å; P213-K225 PolarHBondContact O-NZ 3.35Å; D214-K225 IonicContact OD1-NZ 2.72Å; I215-K225 HydrophobicContact CD1-CG 3.92Å; I215-K225 HydrophobicContact CG1-CG 4.03Å |
| 226 | T | 94.3 | Very high | 93.9 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 27% | 0.27 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -132.7 | 132.7 | -178 | -49.1 | 0 | 0 | 0 | 0 | 108.6 | I209 T211 S224 | I209-T226 HydrophobicContact CG2-CG2 3.39Å; T211-T226 WeakPolarHBondContact CB-OG1 3.41Å; T211-T226 WeakPolarHBondContact CG2-OG1 3.27Å; T211-T226 PolarHBondContact OG1-OG1 3.43Å; S224-T226 VanDerWaalsContact C-N 3.26Å; S224-T226 PolarHBondContact O-N 3.09Å; S224-T226 PolarHBondContact OG-O 3.19Å |
| 227 | V | 95.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | trans | -74 | 150.7 | 173 | 71.1 | 0 | 0 | 0 | 0 | 110.4 | F200 A203 A231 F232 | F200-V227 HydrophobicContact CB-CB 4.27Å; F200-V227 HydrophobicContact CB-CG2 3.98Å; F200-V227 HydrophobicContact CD2-CG1 4.39Å; F200-V227 HydrophobicContact CD2-CG2 3.88Å; F200-V227 HydrophobicContact CG-CG2 4.35Å; A203-V227 HydrophobicContact CB-CG1 4Å; V227-A231 HydrophobicContact CG2-CB 3.76Å; V227-F232 HydrophobicContact CG1-CB 4.49Å | ||
| 228 | C | 94.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | trans | -60.1 | 147.8 | 172.6 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | F135 D136 W141 G168 Q230 A231 F232 | F135-C228 HydrophobicContact CD2-CB 4.15Å; F135-C228 HydrophobicContact CE2-CB 4.05Å; D136-C228 HydrophobicContact CB-CB 3.96Å; D136-C228 VanDerWaalsContact CG-CB 3.42Å; D136-C228 WeakPolarHBondContact OD2-CB 3.28Å; W141-C228 HydrophobicContact CZ2-CB 4.49Å; G168-C228 WeakPolarHBondContact O-CB 3.48Å; G168-C228 PolarHBondContact O-N 2.68Å; G168-C228 PolarHBondContact O-SG 2.93Å; C228-Q230 VanDerWaalsContact C-N 3.29Å; C228-Q230 PolarHBondContact O-N 3.45Å; C228-A231 PolarHBondContact O-N 2.98Å; C228-A231 VanDerWaalsContact SG-CB 3.54Å; C228-F232 PolarHBondContact O-N 3.37Å | ||
| 229 | S | 95.9 | Very high | 93.6 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 41% | 0.413 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | -176.8 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | A231 F232 E233 | S229-A231 VanDerWaalsContact C-N 3.33Å; S229-A231 PolarHBondContact O-N 2.99Å; S229-F232 PolarHBondContact O-N 3.24Å; S229-F232 VanDerWaalsContact O-N 3.17Å; S229-E233 WeakPolarHBondContact O-CG 3.38Å; S229-E233 PolarHBondContact O-N 3.31Å |
| 230 | Q | 97.7 | Very high | 93.8 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -37.6 | -179.2 | -171.9 | 63.3 | 44.1 | 0 | 0 | 113 | W141 C228 F232 E233 Y234 | W141-Q230 HydrophobicContact CE3-CB 4.37Å; W141-Q230 HydrophobicContact CE3-CG 4.03Å; W141-Q230 HydrophobicContact CH2-CB 3.3Å; W141-Q230 HydrophobicContact CH2-CG 3.85Å; W141-Q230 HydrophobicContact CZ2-CB 3.92Å; W141-Q230 HydrophobicContact CZ3-CB 3.56Å; W141-Q230 HydrophobicContact CZ3-CG 3.52Å; C228-Q230 VanDerWaalsContact C-N 3.29Å; C228-Q230 PolarHBondContact O-N 3.45Å; Q230-F232 VanDerWaalsContact C-N 3.31Å; Q230-F232 PolarHBondContact O-N 3.26Å; Q230-E233 PolarHBondContact O-N 3.12Å; Q230-Y234 HydrophobicContact CG-CD2 4.3Å; Q230-Y234 HydrophobicContact CG-CE1 4.37Å; Q230-Y234 HydrophobicContact CG-CE2 3.67Å; Q230-Y234 WeakPolarHBondContact O-CD2 3.3Å; Q230-Y234 PolarHBondContact O-N 3.05Å |
| 231 | A | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L172 C173 F200 V227 C228 S229 | L172-A231 HydrophobicContact CD2-CB 4.06Å; C173-A231 PolarHBondContact SG-N 3.16Å; F200-A231 HydrophobicContact CD2-CB 4.49Å; F200-A231 HydrophobicContact CE2-CB 4.26Å; V227-A231 HydrophobicContact CG2-CB 3.76Å; C228-A231 PolarHBondContact O-N 2.98Å; C228-A231 VanDerWaalsContact SG-CB 3.54Å; S229-A231 VanDerWaalsContact C-N 3.33Å; S229-A231 PolarHBondContact O-N 2.99Å |
| 232 | F | 97 | Very high | 94.7 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 175.1 | 178.8 | -103.2 | 0 | 0 | 0 | 112 | A203 G207 I209 V227 C228 S229 Q230 Y234 I235 K236 | A203-F232 HydrophobicContact CB-CD2 4.03Å; G207-F232 WeakPolarHBondContact O-CZ 3.47Å; I209-F232 HydrophobicContact CD1-CB 4.49Å; I209-F232 HydrophobicContact CG1-CB 3.95Å; I209-F232 HydrophobicContact CG1-CD1 3.91Å; I209-F232 HydrophobicContact CG1-CG 3.9Å; V227-F232 HydrophobicContact CG1-CB 4.49Å; C228-F232 PolarHBondContact O-N 3.37Å; S229-F232 PolarHBondContact O-N 3.24Å; S229-F232 VanDerWaalsContact O-N 3.17Å; Q230-F232 VanDerWaalsContact C-N 3.31Å; Q230-F232 PolarHBondContact O-N 3.26Å; F232-Y234 VanDerWaalsContact C-N 3.29Å; F232-Y234 PolarHBondContact O-N 2.59Å; F232-I235 PolarHBondContact O-N 3.34Å; F232-I235 VanDerWaalsContact O-N 3.13Å; F232-K236 HydrophobicContact CE1-CB 4.35Å; F232-K236 HydrophobicContact CE1-CD 3.84Å; F232-K236 HydrophobicContact CZ-CD 4.41Å; F232-K236 PolarHBondContact O-N 2.96Å |
| 233 | E | 97.4 | Very high | 95 | Very high | 62 Ų | 62 | 47 Ų | 47 | 29% | 0.29 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -36.7 | 177.4 | -71 | -58.2 | 134.8 | 0 | 0 | 112.1 | S229 Q230 I235 K236 E237 | S229-E233 WeakPolarHBondContact O-CG 3.38Å; S229-E233 PolarHBondContact O-N 3.31Å; Q230-E233 PolarHBondContact O-N 3.12Å; E233-I235 VanDerWaalsContact C-N 3.28Å; E233-I235 PolarHBondContact O-N 3.34Å; E233-K236 VanDerWaalsContact CD-NZ 3.31Å; E233-K236 PolarHBondContact O-N 3.37Å; E233-K236 VanDerWaalsContact O-N 3.17Å; E233-K236 IonicContact OE1-NZ 3.49Å; E233-K236 PolarHBondContact OE1-NZ 2.95Å; E233-K236 IonicContact OE2-NZ 2.66Å; E233-K236 PolarHBondContact OE2-NZ 3.19Å; E233-E237 WeakPolarHBondContact O-CB 3.45Å; E233-E237 WeakPolarHBondContact O-CG 3.47Å; E233-E237 PolarHBondContact O-N 3.43Å |
| 234 | Y | 97.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -32.3 | 175.6 | -70.8 | -38.2 | 0 | 0 | 0 | 114.3 | C173 V176 E177 Q230 F232 | C173-Y234 HydrophobicContact CB-CE2 4.07Å; V176-Y234 HydrophobicContact CB-CD2 3.81Å; V176-Y234 HydrophobicContact CB-CE2 3.73Å; V176-Y234 HydrophobicContact CB-CG 4.34Å; V176-Y234 HydrophobicContact CG1-CD1 3.76Å; V176-Y234 HydrophobicContact CG1-CD2 3.65Å; V176-Y234 HydrophobicContact CG1-CE1 3.72Å; V176-Y234 HydrophobicContact CG1-CE2 3.6Å; V176-Y234 HydrophobicContact CG1-CG 3.73Å; V176-Y234 HydrophobicContact CG2-CD2 3.92Å; V176-Y234 HydrophobicContact CG2-CE2 4.34Å; V176-Y234 HydrophobicContact CG2-CG 4.36Å; E177-Y234 WeakPolarHBondContact CG-OH 3.44Å; Q230-Y234 HydrophobicContact CG-CD2 4.3Å; Q230-Y234 HydrophobicContact CG-CE1 4.37Å; Q230-Y234 HydrophobicContact CG-CE2 3.67Å; Q230-Y234 WeakPolarHBondContact O-CD2 3.3Å; Q230-Y234 PolarHBondContact O-N 3.05Å; F232-Y234 VanDerWaalsContact C-N 3.29Å; F232-Y234 PolarHBondContact O-N 2.59Å |
| 235 | I | 94.1 | Very high | 96 | Very high | 42 Ų | 42 | 45.9 Ų | 45.9 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.7 | -47.7 | 171.9 | -79 | -173.7 | 0 | 0 | 0 | 110.6 | F200 V204 F232 E233 E237 G238 I242 | F200-I235 HydrophobicContact CE1-CD1 3.83Å; F200-I235 HydrophobicContact CE2-CD1 3.59Å; F200-I235 HydrophobicContact CE2-CG1 4.28Å; F200-I235 HydrophobicContact CZ-CD1 3.09Å; F200-I235 HydrophobicContact CZ-CG1 3.91Å; V204-I235 HydrophobicContact CG1-CD1 4.5Å; V204-I235 HydrophobicContact CG2-CD1 3.23Å; V204-I235 HydrophobicContact CG2-CG2 4.44Å; F232-I235 PolarHBondContact O-N 3.34Å; F232-I235 VanDerWaalsContact O-N 3.13Å; E233-I235 VanDerWaalsContact C-N 3.28Å; E233-I235 PolarHBondContact O-N 3.34Å; I235-E237 VanDerWaalsContact C-N 3.3Å; I235-E237 PolarHBondContact O-N 3.46Å; I235-G238 PolarHBondContact O-N 2.91Å; I235-I242 HydrophobicContact CD1-CB 4.2Å; I235-I242 HydrophobicContact CD1-CG2 3.8Å; I235-I242 HydrophobicContact CG1-CB 3.83Å; I235-I242 HydrophobicContact CG1-CD1 3.9Å; I235-I242 HydrophobicContact CG1-CG1 4.45Å; I235-I242 HydrophobicContact CG1-CG2 3.91Å |
| 236 | K | 94.8 | Very high | 96.2 | Very high | 130 Ų | 130 | 43.9 Ų | 43.9 | 57% | 0.565 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.7 | -37 | -176.5 | 177.5 | 175.6 | 153.1 | -133.9 | 0 | 112.8 | F232 E233 G238 | F232-K236 HydrophobicContact CE1-CB 4.35Å; F232-K236 HydrophobicContact CE1-CD 3.84Å; F232-K236 HydrophobicContact CZ-CD 4.41Å; F232-K236 PolarHBondContact O-N 2.96Å; E233-K236 VanDerWaalsContact CD-NZ 3.31Å; E233-K236 PolarHBondContact O-N 3.37Å; E233-K236 VanDerWaalsContact O-N 3.17Å; E233-K236 IonicContact OE1-NZ 3.49Å; E233-K236 PolarHBondContact OE1-NZ 2.95Å; E233-K236 IonicContact OE2-NZ 2.66Å; E233-K236 PolarHBondContact OE2-NZ 3.19Å; K236-G238 VanDerWaalsContact C-N 3.26Å; K236-G238 PolarHBondContact O-N 3.1Å |
| 237 | E | 94.6 | Very high | 96.4 | Very high | 90 Ų | 90 | 41.9 Ų | 41.9 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.2 | 174.4 | -78.2 | 177.7 | -167.7 | 0 | 0 | 113 | K180 E233 I235 N239 | K180-E237 IonicContact NZ-OE2 3.3Å; E233-E237 WeakPolarHBondContact O-CB 3.45Å; E233-E237 WeakPolarHBondContact O-CG 3.47Å; E233-E237 PolarHBondContact O-N 3.43Å; I235-E237 VanDerWaalsContact C-N 3.3Å; I235-E237 PolarHBondContact O-N 3.46Å; E237-N239 PolarHBondContact O-N 3.39Å; E237-N239 VanDerWaalsContact O-N 3.16Å; E237-N239 PolarHBondContact OE2-ND2 3.29Å |
| 238 | G | 91.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 58% | 0.577 | 23% | 0.231 | S | C | * | . | trans | 69.3 | 5.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I235 K236 M240 | I235-G238 PolarHBondContact O-N 2.91Å; K236-G238 VanDerWaalsContact C-N 3.26Å; K236-G238 PolarHBondContact O-N 3.1Å; G238-M240 VanDerWaalsContact C-N 3.28Å; G238-M240 PolarHBondContact O-N 3.13Å | ||
| 239 | N | 93.1 | Very high | 96.8 | Very high | 108 Ų | 108 | 44.4 Ų | 44.4 | 58% | 0.578 | 24% | 0.235 | S | C | * | . | trans | -76.2 | -14.3 | -178.4 | -69.1 | -37.8 | 0 | 0 | 0 | 113.8 | E237 | E237-N239 PolarHBondContact O-N 3.39Å; E237-N239 VanDerWaalsContact O-N 3.16Å; E237-N239 PolarHBondContact OE2-ND2 3.29Å | ||
| 240 | M | 96.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 5% | 0.054 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -120.8 | 143.2 | 177.4 | -61.7 | -63.5 | -62.7 | 0 | 0 | 109.3 | V176 M179 K180 A185 I189 G238 I242 | V176-M240 HydrophobicContact CG1-CE 4.17Å; V176-M240 HydrophobicContact CG1-CG 3.72Å; V176-M240 HydrophobicContact CG1-SD 4.12Å; V176-M240 HydrophobicContact CG2-CE 4.35Å; V176-M240 HydrophobicContact CG2-CG 4.42Å; M179-M240 HydrophobicContact CB-CE 3.96Å; M179-M240 HydrophobicContact CE-CE 4.39Å; M179-M240 HydrophobicContact SD-CE 4.5Å; K180-M240 HydrophobicContact CD-SD 4.39Å; K180-M240 HydrophobicContact CG-SD 3.82Å; A185-M240 HydrophobicContact CB-SD 3.78Å; I189-M240 HydrophobicContact CD1-CE 4.13Å; G238-M240 VanDerWaalsContact C-N 3.28Å; G238-M240 PolarHBondContact O-N 3.13Å; M240-I242 HydrophobicContact CB-CD1 3.97Å; M240-I242 HydrophobicContact CB-CG1 3.9Å; M240-I242 PolarHBondContact O-N 3.3Å; M240-I242 VanDerWaalsContact O-N 3.16Å |
| 241 | K | 96.4 | Very high | 96.9 | Very high | 129 Ų | 129 | 47.2 Ų | 47.2 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | trans | -82.1 | 90.2 | 172 | -67.3 | -169.2 | -175.6 | -179.4 | 0 | 109.9 | S186 P188 I189 | S186-K241 WeakPolarHBondContact O-CD 3.36Å; P188-K241 CarbonylContact C-O 3.56Å; P188-K241 VanDerWaalsContact CA-O 3.24Å; P188-K241 WeakPolarHBondContact CA-O 3.45Å; P188-K241 HydrophobicContact CB-CB 4.23Å; I189-K241 PolarHBondContact N-O 2.88Å | ||
| 242 | I | 98.4 | Very high | 97 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 14% | 0.138 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129 | 179 | -58.1 | 168.3 | 0 | 0 | 0 | 109.4 | L172 V176 I189 C191 F200 I235 M240 | L172-I242 HydrophobicContact CD1-CD1 4.33Å; V176-I242 HydrophobicContact CG2-CD1 4.12Å; I189-I242 HydrophobicContact CB-CG1 4.5Å; I189-I242 HydrophobicContact CD1-CG1 4.37Å; C191-I242 VanDerWaalsContact SG-CG2 3.56Å; F200-I242 HydrophobicContact CE1-CG2 4.12Å; F200-I242 HydrophobicContact CZ-CG2 3.92Å; I235-I242 HydrophobicContact CD1-CB 4.2Å; I235-I242 HydrophobicContact CD1-CG2 3.8Å; I235-I242 HydrophobicContact CG1-CB 3.83Å; I235-I242 HydrophobicContact CG1-CD1 3.9Å; I235-I242 HydrophobicContact CG1-CG1 4.45Å; I235-I242 HydrophobicContact CG1-CG2 3.91Å; M240-I242 HydrophobicContact CB-CD1 3.97Å; M240-I242 HydrophobicContact CB-CG1 3.9Å; M240-I242 PolarHBondContact O-N 3.3Å; M240-I242 VanDerWaalsContact O-N 3.16Å |
| 243 | I | 98.5 | Very high | 97.1 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 115.2 | -178.6 | -55.6 | -180 | 0 | 0 | 0 | 107 | P188 I189 C191 E245 L286 R291 L292 | P188-I243 HydrophobicContact CB-CD1 4.27Å; I189-I243 PolarHBondContact O-N 3.22Å; C191-I243 PolarHBondContact N-O 3.15Å; I243-E245 HydrophobicContact CG2-CG 4.05Å; I243-L286 HydrophobicContact CG2-CD1 4.13Å; I243-L286 HydrophobicContact CG2-CD2 4.01Å; I243-R291 VanDerWaalsContact CG2-NH2 3.28Å; I243-L292 HydrophobicContact CD1-CD2 3.83Å; I243-L292 HydrophobicContact CD1-CG 4.24Å |
| 244 | S | 98.4 | Very high | 97.1 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.1 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | N201 | N201-S244 WeakPolarHBondContact CA-OG 3.39Å; N201-S244 WeakPolarHBondContact CB-OG 3.06Å; N201-S244 PolarHBondContact ND2-OG 2.72Å |
| 245 | E | 98.6 | Very high | 97.2 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.7 | -179.3 | -67 | -56.3 | 143.7 | 0 | 0 | 111.4 | I190 C191 M192 E193 I243 V282 R285 L286 R291 | I190-E245 HydrophobicContact CG2-CG 4.36Å; C191-E245 PolarHBondContact O-N 3.21Å; M192-E245 HydrophobicContact CE-CB 4.21Å; M192-E245 HydrophobicContact SD-CB 3.74Å; E193-E245 PolarHBondContact N-O 2.94Å; E193-E245 VanDerWaalsContact N-O 3.1Å; I243-E245 HydrophobicContact CG2-CG 4.05Å; E245-V282 HydrophobicContact CB-CG1 4.15Å; E245-V282 HydrophobicContact CG-CG1 3.97Å; E245-R285 IonicContact OE2-CZ 3.93Å; E245-R285 IonicContact OE2-NH1 2.76Å; E245-R285 PolarHBondContact OE2-NH1 3.15Å; E245-R285 IonicContact OE2-NH2 3.66Å; E245-R285 PolarHBondContact OE2-NH2 2.84Å; E245-L286 HydrophobicContact CG-CD1 4.21Å; E245-L286 HydrophobicContact CG-CD2 4.29Å; E245-L286 WeakPolarHBondContact OE1-CD2 3.31Å; E245-R291 IonicContact OE1-CZ 3.78Å; E245-R291 IonicContact OE1-NH1 3.09Å; E245-R291 PolarHBondContact OE1-NH1 2.87Å; E245-R291 IonicContact OE1-NH2 3.98Å; E245-R291 PolarHBondContact OE1-NH2 2.88Å |
| 246 | L | 98.6 | Very high | 97.4 | Very high | 32 Ų | 32 | 45.9 Ų | 45.9 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.4 | 179.9 | -61.1 | -175.2 | 0 | 0 | 0 | 111.4 | E193 E195 D198 N201 | E193-L246 HydrophobicContact CB-CD2 3.62Å; E193-L246 WeakPolarHBondContact O-CA 3.48Å; E195-L246 HydrophobicContact CG-CB 4.29Å; E195-L246 HydrophobicContact CG-CD1 4.35Å; D198-L246 HydrophobicContact CB-CD1 4.26Å; D198-L246 HydrophobicContact CB-CD2 3.53Å; N201-L246 HydrophobicContact CB-CD1 4.35Å; N201-L246 HydrophobicContact CB-CD2 3.67Å; N201-L246 HydrophobicContact CB-CG 4.16Å; N201-L246 WeakPolarHBondContact OD1-CD1 3.46Å |
| 247 | V | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 159.3 | 165.3 | -66.4 | 0 | 0 | 0 | 0 | 109.7 | M192 E193 T194 E195 Q251 A273 A276 V282 | M192-V247 HydrophobicContact CE-CG1 3.62Å; E193-V247 PolarHBondContact O-N 3.04Å; T194-V247 CarbonylContact C-O 3.51Å; T194-V247 WeakPolarHBondContact CA-O 3.49Å; T194-V247 HydrophobicContact CG2-CG2 4.36Å; E195-V247 PolarHBondContact N-O 3.28Å; V247-Q251 HydrophobicContact CB-CB 3.99Å; V247-A273 HydrophobicContact CG2-CB 4.21Å; V247-A276 HydrophobicContact CB-CB 4.31Å; V247-A276 HydrophobicContact CG1-CB 3.89Å; V247-A276 HydrophobicContact CG2-CB 4.08Å; V247-V282 HydrophobicContact CG1-CG2 4.17Å |
| 248 | T | 98.6 | Very high | 97.8 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 24% | 0.239 | 21% | 0.21 | C | C | . | . | trans | -75.5 | 160.8 | 171 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | Q250 Q251 A252 | T248-Q250 PolarHBondContact O-N 2.79Å; T248-Q251 PolarHBondContact O-N 2.74Å; T248-Q251 WeakPolarHBondContact OG1-CB 3.37Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.48Å; T248-Q251 PolarHBondContact OG1-N 2.96Å; T248-Q251 VanDerWaalsContact OG1-N 3.12Å; T248-Q251 PolarHBondContact OG1-OE1 3.12Å; T248-A252 PolarHBondContact O-N 2.86Å | ||
| 249 | D | 98.4 | Very high | 98.1 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -32.7 | 170.5 | -76.8 | -18.7 | 0 | 0 | 0 | 112.3 | T194 S217 E218 A252 L253 L269 L322 | T194-D249 WeakPolarHBondContact CB-OD1 3.28Å; T194-D249 WeakPolarHBondContact CG2-OD1 3.49Å; S217-D249 VanDerWaalsContact CA-OD2 3.25Å; S217-D249 WeakPolarHBondContact CA-OD2 3.42Å; S217-D249 PolarHBondContact OG-OD1 2.82Å; S217-D249 PolarHBondContact OG-OD2 3.38Å; E218-D249 PolarHBondContact N-OD2 3.26Å; D249-A252 PolarHBondContact O-N 3.39Å; D249-L253 WeakPolarHBondContact O-CB 3.41Å; D249-L253 PolarHBondContact O-N 2.76Å; D249-L269 HydrophobicContact CB-CD2 4.14Å; D249-L322 HydrophobicContact CB-CD1 3.88Å; D249-L322 HydrophobicContact CB-CD2 3.58Å; D249-L322 HydrophobicContact CB-CG 4.39Å |
| 250 | Q | 98.3 | Very high | 98.3 | Very high | 106 Ų | 106 | 33.9 Ų | 33.9 | 50% | 0.495 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.4 | -71.8 | 172 | -8.8 | 0 | 0 | 111.7 | T248 L253 Q254 L322 | T248-Q250 PolarHBondContact O-N 2.79Å; Q250-L253 PolarHBondContact O-N 3.21Å; Q250-Q254 WeakPolarHBondContact O-CB 3.35Å; Q250-Q254 PolarHBondContact O-N 2.88Å; Q250-L322 HydrophobicContact CG-CB 4.27Å; Q250-L322 PolarHBondContact NE2-O 3.13Å |
| 251 | Q | 98.5 | Very high | 98.4 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.7 | -42 | 174.4 | -77.5 | 170.3 | -42.4 | 0 | 0 | 111.7 | V247 T248 L253 Q254 A255 C280 | V247-Q251 HydrophobicContact CB-CB 3.99Å; T248-Q251 PolarHBondContact O-N 2.74Å; T248-Q251 WeakPolarHBondContact OG1-CB 3.37Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.48Å; T248-Q251 PolarHBondContact OG1-N 2.96Å; T248-Q251 VanDerWaalsContact OG1-N 3.12Å; T248-Q251 PolarHBondContact OG1-OE1 3.12Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 3.24Å; Q251-Q254 PolarHBondContact O-N 3Å; Q251-A255 WeakPolarHBondContact O-CB 3.48Å; Q251-A255 PolarHBondContact O-N 3.13Å; Q251-C280 HydrophobicContact CB-CB 4.46Å; Q251-C280 HydrophobicContact CG-CB 4.33Å |
| 252 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T194 T248 D249 A255 V256 L269 | T194-A252 HydrophobicContact CG2-CB 3.94Å; T248-A252 PolarHBondContact O-N 2.86Å; D249-A252 PolarHBondContact O-N 3.39Å; A252-A255 PolarHBondContact O-N 3.38Å; A252-V256 WeakPolarHBondContact O-CG2 3.25Å; A252-V256 PolarHBondContact O-N 3Å; A252-L269 HydrophobicContact CB-CD1 3.69Å; A252-L269 HydrophobicContact CB-CG 3.83Å |
| 253 | L | 98.4 | Very high | 98.5 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -47.6 | 177.2 | 177 | 62.4 | 0 | 0 | 0 | 110.9 | D249 Q250 Q251 A255 V256 E257 L269 L315 L318 R319 L322 | D249-L253 WeakPolarHBondContact O-CB 3.41Å; D249-L253 PolarHBondContact O-N 2.76Å; Q250-L253 PolarHBondContact O-N 3.21Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 3.24Å; L253-A255 PolarHBondContact O-N 3.46Å; L253-V256 WeakPolarHBondContact O-CB 3.49Å; L253-V256 PolarHBondContact O-N 3.05Å; L253-E257 HydrophobicContact CD1-CG 4.31Å; L253-E257 WeakPolarHBondContact O-CG 3.16Å; L253-E257 PolarHBondContact O-N 3.26Å; L253-L269 HydrophobicContact CB-CD1 3.87Å; L253-L269 VanDerWaalsContact N-CD1 3.28Å; L253-L315 HydrophobicContact CD1-CD1 3.63Å; L253-L318 HydrophobicContact CD1-CB 4.07Å; L253-R319 HydrophobicContact CD2-CG 4.32Å; L253-L322 HydrophobicContact CB-CD1 4.03Å; L253-L322 HydrophobicContact CD2-CB 4.18Å; L253-L322 HydrophobicContact CD2-CD1 3.98Å |
| 254 | Q | 98.4 | Very high | 98.4 | Very high | 99 Ų | 99 | 43 Ų | 43 | 46% | 0.463 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -55.3 | -42.2 | 175.3 | -177.6 | -172.7 | 0.9 | 0 | 0 | 111.4 | Q250 Q251 E257 T258 | Q250-Q254 WeakPolarHBondContact O-CB 3.35Å; Q250-Q254 PolarHBondContact O-N 2.88Å; Q251-Q254 PolarHBondContact O-N 3Å; Q254-E257 PolarHBondContact O-N 3.14Å; Q254-T258 WeakPolarHBondContact O-CB 3.31Å; Q254-T258 PolarHBondContact O-N 3.33Å; Q254-T258 PolarHBondContact O-OG1 2.84Å |
| 255 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q251 A252 L253 F259 G272 L275 A276 Y279 | Q251-A255 WeakPolarHBondContact O-CB 3.48Å; Q251-A255 PolarHBondContact O-N 3.13Å; A252-A255 PolarHBondContact O-N 3.38Å; L253-A255 PolarHBondContact O-N 3.46Å; A255-F259 WeakPolarHBondContact O-CB 3.35Å; A255-F259 PolarHBondContact O-N 3.38Å; A255-G272 WeakPolarHBondContact CB-O 3.42Å; A255-L275 HydrophobicContact CB-CB 3.98Å; A255-A276 HydrophobicContact CB-CB 3.93Å; A255-Y279 HydrophobicContact CB-CD2 3.96Å; A255-Y279 HydrophobicContact CB-CG 4.5Å |
| 256 | V | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 173.8 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | A252 L253 F259 L260 L266 V267 L269 L315 | A252-V256 WeakPolarHBondContact O-CG2 3.25Å; A252-V256 PolarHBondContact O-N 3Å; L253-V256 WeakPolarHBondContact O-CB 3.49Å; L253-V256 PolarHBondContact O-N 3.05Å; V256-F259 PolarHBondContact O-N 3.08Å; V256-L260 WeakPolarHBondContact O-CB 3.38Å; V256-L260 PolarHBondContact O-N 2.8Å; V256-L266 HydrophobicContact CG1-CD1 4.03Å; V256-V267 WeakPolarHBondContact CG1-O 3.4Å; V256-V267 HydrophobicContact CG2-CG2 4.16Å; V256-L269 HydrophobicContact CG2-CD1 4.47Å; V256-L315 HydrophobicContact CG1-CD1 4.11Å |
| 257 | E | 98.4 | Very high | 98.4 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 23% | 0.234 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -45.4 | -178.6 | -66.8 | -177.7 | 125.8 | 0 | 0 | 111.9 | L253 Q254 F259 L260 D261 L315 R319 | L253-E257 HydrophobicContact CD1-CG 4.31Å; L253-E257 WeakPolarHBondContact O-CG 3.16Å; L253-E257 PolarHBondContact O-N 3.26Å; Q254-E257 PolarHBondContact O-N 3.14Å; E257-F259 VanDerWaalsContact C-N 3.34Å; E257-F259 PolarHBondContact O-N 3.41Å; E257-L260 WeakPolarHBondContact O-CB 3.41Å; E257-L260 PolarHBondContact O-N 3.03Å; E257-D261 PolarHBondContact O-N 3.2Å; E257-D261 VanDerWaalsContact O-N 3.07Å; E257-L315 HydrophobicContact CG-CD1 4.25Å; E257-R319 IonicContact OE1-CZ 2.69Å; E257-R319 IonicContact OE1-NE 3.52Å; E257-R319 PolarHBondContact OE1-NE 3.4Å; E257-R319 IonicContact OE1-NH2 3.07Å; E257-R319 PolarHBondContact OE1-NH2 3.05Å |
| 258 | T | 98.6 | Very high | 98.3 | Very high | 32 Ų | 32 | 44.9 Ų | 44.9 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.9 | -51 | 0 | 0 | 0 | 0 | 110.8 | Q254 L260 D261 E262 Y279 | Q254-T258 WeakPolarHBondContact O-CB 3.31Å; Q254-T258 PolarHBondContact O-N 3.33Å; Q254-T258 PolarHBondContact O-OG1 2.84Å; T258-L260 VanDerWaalsContact C-N 3.35Å; T258-L260 PolarHBondContact O-N 2.77Å; T258-D261 PolarHBondContact O-N 3.33Å; T258-E262 HydrophobicContact CG2-CG 4.3Å; T258-E262 WeakPolarHBondContact O-CB 3.37Å; T258-E262 WeakPolarHBondContact O-CG 3.5Å; T258-E262 PolarHBondContact O-N 2.81Å; T258-Y279 HydrophobicContact CG2-CD1 3.67Å; T258-Y279 HydrophobicContact CG2-CE1 3.44Å; T258-Y279 VanDerWaalsContact CG2-CE1 3.44Å; T258-Y279 HydrophobicContact CG2-CG 4.34Å |
| 259 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 177.2 | -170.9 | -106 | 0 | 0 | 0 | 112.8 | M19 L29 M31 A255 V256 E257 D261 E263 R264 V265 V267 L275 Y279 V304 | M19-F259 HydrophobicContact CE-CD2 3.67Å; M19-F259 HydrophobicContact CE-CE2 3.89Å; L29-F259 HydrophobicContact CD1-CE2 3.76Å; L29-F259 HydrophobicContact CD1-CZ 4.14Å; L29-F259 HydrophobicContact CD2-CE2 4.35Å; M31-F259 HydrophobicContact CE-CZ 4.28Å; M31-F259 HydrophobicContact SD-CZ 4.44Å; A255-F259 WeakPolarHBondContact O-CB 3.35Å; A255-F259 PolarHBondContact O-N 3.38Å; V256-F259 PolarHBondContact O-N 3.08Å; E257-F259 VanDerWaalsContact C-N 3.34Å; E257-F259 PolarHBondContact O-N 3.41Å; F259-D261 VanDerWaalsContact C-N 3.3Å; F259-D261 PolarHBondContact O-N 3.25Å; F259-E263 HydrophobicContact CD2-CB 3.99Å; F259-E263 HydrophobicContact CD2-CG 3.66Å; F259-E263 HydrophobicContact CE1-CB 4.28Å; F259-E263 HydrophobicContact CE2-CB 3.76Å; F259-E263 HydrophobicContact CE2-CG 3.48Å; F259-E263 VanDerWaalsContact CE2-CG 3.48Å; F259-E263 HydrophobicContact CG-CB 4.37Å; F259-E263 HydrophobicContact CG-CG 4.46Å; F259-E263 HydrophobicContact CZ-CB 3.89Å; F259-E263 HydrophobicContact CZ-CG 4.12Å; F259-E263 WeakPolarHBondContact O-CA 3.43Å; F259-E263 WeakPolarHBondContact O-CB 3.28Å; F259-E263 PolarHBondContact O-N 3.39Å; F259-R264 PolarHBondContact O-N 2.87Å; F259-V265 HydrophobicContact CD1-CB 4.49Å; F259-V265 VanDerWaalsContact CD1-O 3.3Å; F259-V265 WeakPolarHBondContact CD1-O 3.39Å; F259-V265 HydrophobicContact CE1-CB 3.86Å; F259-V265 HydrophobicContact CE1-CG1 4.21Å; F259-V267 HydrophobicContact CD1-CG1 4.23Å; F259-V267 HydrophobicContact CD1-CG2 4.16Å; F259-V267 HydrophobicContact CE1-CG1 3.95Å; F259-L275 HydrophobicContact CB-CD1 3.78Å; F259-L275 HydrophobicContact CD1-CD1 3.82Å; F259-L275 HydrophobicContact CD2-CD1 3.92Å; F259-L275 HydrophobicContact CD2-CD2 3.69Å; F259-L275 HydrophobicContact CD2-CG 4.43Å; F259-L275 HydrophobicContact CE1-CD1 4.37Å; F259-L275 HydrophobicContact CE2-CD1 4.43Å; F259-L275 HydrophobicContact CE2-CD2 3.73Å; F259-L275 HydrophobicContact CG-CD1 3.57Å; F259-L275 HydrophobicContact CG-CD2 4.23Å; F259-L275 HydrophobicContact CZ-CD2 4.34Å; F259-Y279 HydrophobicContact CB-CE2 3.91Å; F259-Y279 HydrophobicContact CD2-CE2 4.11Å; F259-V304 HydrophobicContact CE1-CG1 3.9Å; F259-V304 HydrophobicContact CE2-CG2 4.44Å; F259-V304 HydrophobicContact CZ-CG1 3.75Å; F259-V304 HydrophobicContact CZ-CG2 4.04Å |
| 260 | L | 98.5 | Very high | 98.1 | Very high | 50 Ų | 50 | 42.7 Ų | 42.7 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -40.5 | 173.5 | 173.7 | 61 | 0 | 0 | 0 | 111.1 | V256 E257 T258 R264 L266 L315 | V256-L260 WeakPolarHBondContact O-CB 3.38Å; V256-L260 PolarHBondContact O-N 2.8Å; E257-L260 WeakPolarHBondContact O-CB 3.41Å; E257-L260 PolarHBondContact O-N 3.03Å; T258-L260 VanDerWaalsContact C-N 3.35Å; T258-L260 PolarHBondContact O-N 2.77Å; L260-R264 WeakPolarHBondContact O-CA 3.33Å; L260-R264 PolarHBondContact O-N 2.9Å; L260-R264 VanDerWaalsContact O-N 3.13Å; L260-L266 HydrophobicContact CD1-CB 4.13Å; L260-L266 HydrophobicContact CD2-CD1 4.17Å; L260-L315 HydrophobicContact CD2-CD2 4.07Å |
| 261 | D | 98.1 | Very high | 98.2 | Very high | 103 Ų | 103 | 37.6 Ų | 37.6 | 55% | 0.551 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -76 | -35.6 | 179.5 | -77.3 | -24.6 | 0 | 0 | 0 | 113.4 | E257 T258 F259 R264 | E257-D261 PolarHBondContact O-N 3.2Å; E257-D261 VanDerWaalsContact O-N 3.07Å; T258-D261 PolarHBondContact O-N 3.33Å; F259-D261 VanDerWaalsContact C-N 3.3Å; F259-D261 PolarHBondContact O-N 3.25Å; D261-R264 PolarHBondContact O-NE 3.18Å; D261-R264 PolarHBondContact O-NH1 3.45Å; D261-R264 PolarHBondContact O-NH2 3.13Å |
| 262 | E | 98.2 | Very high | 98.2 | Very high | 43 Ų | 43 | 34.6 Ų | 34.6 | 20% | 0.201 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -84.1 | -49 | -178.6 | -68.9 | -178.7 | 177.3 | 0 | 0 | 111.7 | D18 R22 T258 Y279 | D18-E262 HydrophobicContact CB-CG 4.27Å; D18-E262 WeakPolarHBondContact CB-OE2 3.48Å; R22-E262 IonicContact CZ-OE1 3.55Å; R22-E262 IonicContact NE-OE1 3.45Å; R22-E262 PolarHBondContact NE-OE1 2.99Å; R22-E262 IonicContact NH2-OE1 3.49Å; R22-E262 PolarHBondContact NH2-OE1 3.08Å; T258-E262 HydrophobicContact CG2-CG 4.3Å; T258-E262 WeakPolarHBondContact O-CB 3.37Å; T258-E262 WeakPolarHBondContact O-CG 3.5Å; T258-E262 PolarHBondContact O-N 2.81Å; E262-Y279 WeakPolarHBondContact OE2-CE1 3.3Å; E262-Y279 VanDerWaalsContact OE2-CZ 3.28Å; E262-Y279 PolarHBondContact OE2-OH 2.98Å |
| 263 | E | 98.2 | Very high | 98.2 | Very high | 43 Ų | 43 | 34.6 Ų | 34.6 | 20% | 0.201 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -105 | -3.6 | -169.8 | -56.9 | -63.9 | 166.6 | 0 | 0 | 113.3 | S16 L29 F259 V265 | S16-E263 WeakPolarHBondContact CB-OE1 3.37Å; S16-E263 PolarHBondContact OG-OE1 2.86Å; L29-E263 HydrophobicContact CD1-CG 3.87Å; F259-E263 HydrophobicContact CD2-CB 3.99Å; F259-E263 HydrophobicContact CD2-CG 3.66Å; F259-E263 HydrophobicContact CE1-CB 4.28Å; F259-E263 HydrophobicContact CE2-CB 3.76Å; F259-E263 HydrophobicContact CE2-CG 3.48Å; F259-E263 VanDerWaalsContact CE2-CG 3.48Å; F259-E263 HydrophobicContact CG-CB 4.37Å; F259-E263 HydrophobicContact CG-CG 4.46Å; F259-E263 HydrophobicContact CZ-CB 3.89Å; F259-E263 HydrophobicContact CZ-CG 4.12Å; F259-E263 WeakPolarHBondContact O-CA 3.43Å; F259-E263 WeakPolarHBondContact O-CB 3.28Å; F259-E263 PolarHBondContact O-N 3.39Å; E263-V265 PolarHBondContact O-N 2.83Å |
| 264 | R | 97.7 | Very high | 98.2 | Very high | 187 Ų | 187 | 34.6 Ų | 34.6 | 71% | 0.706 | 17% | 0.166 | S | C | * | . | trans | 61.1 | 28.3 | 175.3 | -47.7 | -55.3 | -179.7 | -175.3 | -6.7 | 114.4 | F259 L260 D261 | F259-R264 PolarHBondContact O-N 2.87Å; L260-R264 WeakPolarHBondContact O-CA 3.33Å; L260-R264 PolarHBondContact O-N 2.9Å; L260-R264 VanDerWaalsContact O-N 3.13Å; D261-R264 PolarHBondContact O-NE 3.18Å; D261-R264 PolarHBondContact O-NH1 3.45Å; D261-R264 PolarHBondContact O-NH2 3.13Å | ||
| 265 | V | 97.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 24% | 0.236 | 14% | 0.144 | C | C | . | . | trans | -125.7 | 121.7 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | M31 F259 E263 V267 | M31-V265 HydrophobicContact CE-CB 4.3Å; M31-V265 HydrophobicContact CE-CG1 4.37Å; M31-V265 HydrophobicContact CE-CG2 3.75Å; F259-V265 HydrophobicContact CD1-CB 4.49Å; F259-V265 VanDerWaalsContact CD1-O 3.3Å; F259-V265 WeakPolarHBondContact CD1-O 3.39Å; F259-V265 HydrophobicContact CE1-CB 3.86Å; F259-V265 HydrophobicContact CE1-CG1 4.21Å; E263-V265 PolarHBondContact O-N 2.83Å; V265-V267 HydrophobicContact CG1-CG1 3.91Å | ||
| 266 | L | 98.2 | Very high | 98.2 | Very high | 53 Ų | 53 | 29.9 Ų | 29.9 | 28% | 0.277 | 14% | 0.144 | S | C | . | . | trans | -81.4 | 130.1 | 172.1 | -176.4 | 61.1 | 0 | 0 | 0 | 110 | V256 L260 I310 L315 | V256-L266 HydrophobicContact CG1-CD1 4.03Å; L260-L266 HydrophobicContact CD1-CB 4.13Å; L260-L266 HydrophobicContact CD2-CD1 4.17Å; L266-I310 HydrophobicContact CD1-CG1 4.09Å; L266-I310 HydrophobicContact CD2-CG1 4.06Å; L266-I310 HydrophobicContact CD2-CG2 4.29Å; L266-I310 HydrophobicContact CG-CG1 3.98Å; L266-I310 HydrophobicContact CG-CG2 3.94Å; L266-L315 HydrophobicContact CD1-CD2 4.08Å | ||
| 267 | V | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -131.7 | 160.9 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | V256 F259 V265 C271 L275 V304 | V256-V267 WeakPolarHBondContact CG1-O 3.4Å; V256-V267 HydrophobicContact CG2-CG2 4.16Å; F259-V267 HydrophobicContact CD1-CG1 4.23Å; F259-V267 HydrophobicContact CD1-CG2 4.16Å; F259-V267 HydrophobicContact CE1-CG1 3.95Å; V265-V267 HydrophobicContact CG1-CG1 3.91Å; V267-C271 HydrophobicContact CB-CB 3.69Å; V267-C271 HydrophobicContact CG1-CB 4.49Å; V267-C271 HydrophobicContact CG2-CB 3.7Å; V267-L275 HydrophobicContact CG2-CD1 3.72Å; V267-V304 HydrophobicContact CG1-CG1 4.03Å | ||
| 268 | E | 96.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 5% | 0.047 | 13% | 0.133 | C | C | . | . | trans | -71.5 | 162.3 | 177.7 | -76.7 | 174.9 | 169.2 | 0 | 0 | 112 | N67 C221 A270 C271 G272 G306 G307 S308 S309 I310 | N67-E268 PolarHBondContact ND2-OE2 3.3Å; C221-E268 PolarHBondContact SG-OE2 2.68Å; E268-A270 PolarHBondContact O-N 2.7Å; E268-A270 VanDerWaalsContact O-N 3.17Å; E268-C271 WeakPolarHBondContact O-CA 3.44Å; E268-C271 VanDerWaalsContact O-CB 3.32Å; E268-C271 WeakPolarHBondContact O-CB 3.48Å; E268-C271 PolarHBondContact O-N 2.98Å; E268-G272 PolarHBondContact O-N 3.39Å; E268-G306 PolarHBondContact N-O 3.26Å; E268-G307 WeakPolarHBondContact OE2-CA 3.39Å; E268-S308 PolarHBondContact OE1-N 2.7Å; E268-S309 WeakPolarHBondContact OE1-CA 3.45Å; E268-S309 WeakPolarHBondContact OE1-CB 3.48Å; E268-S309 PolarHBondContact OE1-N 3.09Å; E268-S309 PolarHBondContact OE1-OG 3.48Å; E268-I310 HydrophobicContact CG-CB 3.9Å; E268-I310 HydrophobicContact CG-CG2 4Å | ||
| 269 | L | 97 | Very high | 98.2 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.2 | -32.6 | 177.4 | -156 | 66 | 0 | 0 | 0 | 112.8 | E218 A219 D249 A252 L253 V256 C271 G272 A273 L318 L322 | E218-L269 HydrophobicContact CB-CD2 3.81Å; A219-L269 HydrophobicContact CB-CB 3.96Å; A219-L269 HydrophobicContact CB-CD2 4Å; A219-L269 HydrophobicContact CB-CG 4.06Å; D249-L269 HydrophobicContact CB-CD2 4.14Å; A252-L269 HydrophobicContact CB-CD1 3.69Å; A252-L269 HydrophobicContact CB-CG 3.83Å; L253-L269 HydrophobicContact CB-CD1 3.87Å; L253-L269 VanDerWaalsContact N-CD1 3.28Å; V256-L269 HydrophobicContact CG2-CD1 4.47Å; L269-C271 VanDerWaalsContact C-N 3.29Å; L269-C271 PolarHBondContact O-N 3.36Å; L269-G272 CarbonylContact O-C 3.56Å; L269-G272 VanDerWaalsContact O-CA 3.32Å; L269-G272 WeakPolarHBondContact O-CA 3.38Å; L269-G272 PolarHBondContact O-N 3.49Å; L269-G272 VanDerWaalsContact O-N 3.07Å; L269-A273 PolarHBondContact O-N 2.93Å; L269-L318 HydrophobicContact CD2-CD2 4.41Å; L269-L322 HydrophobicContact CD2-CD1 4.23Å |
| 270 | A | 97.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 5% | 0.05 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.7 | -35 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S165 C221 L222 E268 | S165-A270 WeakPolarHBondContact CB-O 3.38Å; S165-A270 PolarHBondContact OG-O 2.93Å; C221-A270 HydrophobicContact CB-CB 3.72Å; L222-A270 HydrophobicContact CD1-CB 4.33Å; L222-A270 HydrophobicContact CD2-CB 3.61Å; L222-A270 HydrophobicContact CG-CB 3.61Å; E268-A270 PolarHBondContact O-N 2.7Å; E268-A270 VanDerWaalsContact O-N 3.17Å |
| 271 | C | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -76.8 | -37.3 | 171.7 | -167.4 | 0 | 0 | 0 | 0 | 110.6 | V267 E268 L269 A273 A274 L275 C305 G306 | V267-C271 HydrophobicContact CB-CB 3.69Å; V267-C271 HydrophobicContact CG1-CB 4.49Å; V267-C271 HydrophobicContact CG2-CB 3.7Å; E268-C271 WeakPolarHBondContact O-CA 3.44Å; E268-C271 VanDerWaalsContact O-CB 3.32Å; E268-C271 WeakPolarHBondContact O-CB 3.48Å; E268-C271 PolarHBondContact O-N 2.98Å; L269-C271 VanDerWaalsContact C-N 3.29Å; L269-C271 PolarHBondContact O-N 3.36Å; C271-A273 PolarHBondContact O-N 2.7Å; C271-A274 WeakPolarHBondContact O-CB 3.38Å; C271-A274 PolarHBondContact O-N 3.3Å; C271-L275 WeakPolarHBondContact O-CG 3.24Å; C271-L275 PolarHBondContact O-N 3.04Å; C271-C305 WeakPolarHBondContact CA-SG 3.47Å; C271-C305 WeakPolarHBondContact CB-SG 3.23Å; C271-C305 PolarHBondContact SG-N 2.98Å; C271-G306 WeakPolarHBondContact CB-O 3.44Å |
| 272 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -49.7 | -40.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A255 E268 L269 A274 L275 A276 | A255-G272 WeakPolarHBondContact CB-O 3.42Å; E268-G272 PolarHBondContact O-N 3.39Å; L269-G272 CarbonylContact O-C 3.56Å; L269-G272 VanDerWaalsContact O-CA 3.32Å; L269-G272 WeakPolarHBondContact O-CA 3.38Å; L269-G272 PolarHBondContact O-N 3.49Å; L269-G272 VanDerWaalsContact O-N 3.07Å; G272-A274 VanDerWaalsContact C-N 3.34Å; G272-A274 PolarHBondContact O-N 2.74Å; G272-L275 PolarHBondContact O-N 3.43Å; G272-A276 VanDerWaalsContact O-CB 3.31Å; G272-A276 WeakPolarHBondContact O-CB 3.47Å; G272-A276 PolarHBondContact O-N 3.45Å |
| 273 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M192 T194 L222 V247 L269 C271 | M192-A273 HydrophobicContact CB-CB 4.44Å; M192-A273 VanDerWaalsContact CB-O 3.26Å; M192-A273 WeakPolarHBondContact CB-O 3.38Å; M192-A273 WeakPolarHBondContact CG-O 3.39Å; T194-A273 HydrophobicContact CG2-CB 4.02Å; L222-A273 HydrophobicContact CD1-CB 3.94Å; V247-A273 HydrophobicContact CG2-CB 4.21Å; L269-A273 PolarHBondContact O-N 2.93Å; C271-A273 PolarHBondContact O-N 2.7Å |
| 274 | A | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.3 | -47 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V163 C271 G272 A276 A277 M302 | V163-A274 HydrophobicContact CG1-CB 4.36Å; V163-A274 WeakPolarHBondContact CG1-O 3.44Å; C271-A274 WeakPolarHBondContact O-CB 3.38Å; C271-A274 PolarHBondContact O-N 3.3Å; G272-A274 VanDerWaalsContact C-N 3.34Å; G272-A274 PolarHBondContact O-N 2.74Å; A274-A276 VanDerWaalsContact C-N 3.28Å; A274-A276 PolarHBondContact O-N 3.38Å; A274-A277 WeakPolarHBondContact O-CB 3.35Å; A274-A277 PolarHBondContact O-N 3.22Å; A274-A277 VanDerWaalsContact O-N 3.07Å; A274-M302 WeakPolarHBondContact O-CE 3.33Å |
| 275 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.8 | -34 | -178.8 | -64 | 170.3 | 0 | 0 | 0 | 112.7 | M19 A255 F259 V267 C271 G272 A277 V278 Y279 V304 | M19-L275 HydrophobicContact CE-CD2 3.63Å; A255-L275 HydrophobicContact CB-CB 3.98Å; F259-L275 HydrophobicContact CB-CD1 3.78Å; F259-L275 HydrophobicContact CD1-CD1 3.82Å; F259-L275 HydrophobicContact CD2-CD1 3.92Å; F259-L275 HydrophobicContact CD2-CD2 3.69Å; F259-L275 HydrophobicContact CD2-CG 4.43Å; F259-L275 HydrophobicContact CE1-CD1 4.37Å; F259-L275 HydrophobicContact CE2-CD1 4.43Å; F259-L275 HydrophobicContact CE2-CD2 3.73Å; F259-L275 HydrophobicContact CG-CD1 3.57Å; F259-L275 HydrophobicContact CG-CD2 4.23Å; F259-L275 HydrophobicContact CZ-CD2 4.34Å; V267-L275 HydrophobicContact CG2-CD1 3.72Å; C271-L275 WeakPolarHBondContact O-CG 3.24Å; C271-L275 PolarHBondContact O-N 3.04Å; G272-L275 PolarHBondContact O-N 3.43Å; L275-A277 PolarHBondContact O-N 3.01Å; L275-A277 VanDerWaalsContact O-N 3.09Å; L275-V278 PolarHBondContact O-N 3.14Å; L275-Y279 HydrophobicContact CB-CD2 4.04Å; L275-Y279 HydrophobicContact CB-CE2 4.31Å; L275-Y279 PolarHBondContact O-N 3.02Å; L275-Y279 VanDerWaalsContact O-N 3.08Å; L275-V304 HydrophobicContact CD2-CG2 4.39Å |
| 276 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.7 | -19.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V247 A255 G272 A274 V278 C280 | V247-A276 HydrophobicContact CB-CB 4.31Å; V247-A276 HydrophobicContact CG1-CB 3.89Å; V247-A276 HydrophobicContact CG2-CB 4.08Å; A255-A276 HydrophobicContact CB-CB 3.93Å; G272-A276 VanDerWaalsContact O-CB 3.31Å; G272-A276 WeakPolarHBondContact O-CB 3.47Å; G272-A276 PolarHBondContact O-N 3.45Å; A274-A276 VanDerWaalsContact C-N 3.28Å; A274-A276 PolarHBondContact O-N 3.38Å; A276-V278 PolarHBondContact O-N 3.03Å; A276-C280 HydrophobicContact CB-CB 4.3Å; A276-C280 WeakPolarHBondContact O-CA 3.35Å; A276-C280 VanDerWaalsContact O-CB 3.26Å; A276-C280 WeakPolarHBondContact O-CB 3.46Å; A276-C280 PolarHBondContact O-N 3.47Å |
| 277 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.6 | -39.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V163 M192 A274 L275 V282 I283 M302 | V163-A277 HydrophobicContact CG1-CB 3.68Å; V163-A277 HydrophobicContact CG2-CB 4.38Å; M192-A277 HydrophobicContact CE-CB 4.15Å; M192-A277 HydrophobicContact CG-CB 4.13Å; M192-A277 HydrophobicContact SD-CB 3.9Å; A274-A277 WeakPolarHBondContact O-CB 3.35Å; A274-A277 PolarHBondContact O-N 3.22Å; A274-A277 VanDerWaalsContact O-N 3.07Å; L275-A277 PolarHBondContact O-N 3.01Å; L275-A277 VanDerWaalsContact O-N 3.09Å; A277-V282 HydrophobicContact CB-CB 4.46Å; A277-V282 WeakPolarHBondContact O-CA 3.48Å; A277-V282 WeakPolarHBondContact O-CB 3.16Å; A277-V282 PolarHBondContact O-N 3.45Å; A277-I283 HydrophobicContact CB-CD1 4.37Å; A277-I283 HydrophobicContact CB-CG1 4.4Å; A277-I283 WeakPolarHBondContact O-CG1 3.45Å; A277-I283 PolarHBondContact O-N 3.45Å; A277-M302 HydrophobicContact CB-CE 4.36Å |
| 278 | V | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -90.2 | -52.1 | 175.6 | 173.9 | 0 | 0 | 0 | 0 | 111 | M19 R22 T23 L275 A276 C280 G281 I283 L300 M302 | M19-V278 HydrophobicContact CB-CG1 3.91Å; M19-V278 HydrophobicContact CG-CB 4.49Å; M19-V278 HydrophobicContact CG-CG1 3.87Å; M19-V278 HydrophobicContact SD-CB 4.32Å; M19-V278 HydrophobicContact SD-CG1 4.33Å; M19-V278 HydrophobicContact SD-CG2 4.36Å; R22-V278 HydrophobicContact CB-CG1 4.3Å; T23-V278 HydrophobicContact CG2-CB 4.34Å; T23-V278 HydrophobicContact CG2-CG1 3.69Å; T23-V278 HydrophobicContact CG2-CG2 3.93Å; L275-V278 PolarHBondContact O-N 3.14Å; A276-V278 PolarHBondContact O-N 3.03Å; V278-C280 VanDerWaalsContact C-N 3.27Å; V278-C280 PolarHBondContact O-N 3.15Å; V278-G281 PolarHBondContact O-N 2.89Å; V278-I283 HydrophobicContact CG2-CG1 4.3Å; V278-L300 HydrophobicContact CG2-CD2 3.57Å; V278-M302 HydrophobicContact CG2-CE 4.11Å; V278-M302 HydrophobicContact CG2-SD 3.86Å |
| 279 | Y | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 21.9 Ų | 21.9 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.6 | -26.1 | -171.2 | -72.8 | -54.6 | 0 | 0 | 0 | 114.4 | M19 A255 T258 F259 E262 L275 | M19-Y279 HydrophobicContact CE-CD2 4.21Å; M19-Y279 HydrophobicContact CE-CE2 3.33Å; M19-Y279 WeakPolarHBondContact CE-OH 3.16Å; M19-Y279 HydrophobicContact CG-CE1 4.31Å; A255-Y279 HydrophobicContact CB-CD2 3.96Å; A255-Y279 HydrophobicContact CB-CG 4.5Å; T258-Y279 HydrophobicContact CG2-CD1 3.67Å; T258-Y279 HydrophobicContact CG2-CE1 3.44Å; T258-Y279 VanDerWaalsContact CG2-CE1 3.44Å; T258-Y279 HydrophobicContact CG2-CG 4.34Å; F259-Y279 HydrophobicContact CB-CE2 3.91Å; F259-Y279 HydrophobicContact CD2-CE2 4.11Å; E262-Y279 WeakPolarHBondContact OE2-CE1 3.3Å; E262-Y279 VanDerWaalsContact OE2-CZ 3.28Å; E262-Y279 PolarHBondContact OE2-OH 2.98Å; L275-Y279 HydrophobicContact CB-CD2 4.04Å; L275-Y279 HydrophobicContact CB-CE2 4.31Å; L275-Y279 PolarHBondContact O-N 3.02Å; L275-Y279 VanDerWaalsContact O-N 3.08Å |
| 280 | C | 98.1 | Very high | 98.3 | Very high | 34 Ų | 34 | 24.7 Ų | 24.7 | 23% | 0.23 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 14.7 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | Q251 A276 V278 V282 | Q251-C280 HydrophobicContact CB-CB 4.46Å; Q251-C280 HydrophobicContact CG-CB 4.33Å; A276-C280 HydrophobicContact CB-CB 4.3Å; A276-C280 WeakPolarHBondContact O-CA 3.35Å; A276-C280 VanDerWaalsContact O-CB 3.26Å; A276-C280 WeakPolarHBondContact O-CB 3.46Å; A276-C280 PolarHBondContact O-N 3.47Å; V278-C280 VanDerWaalsContact C-N 3.27Å; V278-C280 PolarHBondContact O-N 3.15Å; C280-V282 PolarHBondContact O-N 3.42Å |
| 281 | G | 97.4 | Very high | 98.3 | Very high | 26 Ų | 26 | 29.8 Ų | 29.8 | 27% | 0.268 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 16.4 | 169 | 0 | 0 | 0 | 0 | 0 | 116 | V278 I283 Q284 R285 | V278-G281 PolarHBondContact O-N 2.89Å; G281-I283 VanDerWaalsContact C-N 3.34Å; G281-I283 PolarHBondContact O-N 2.95Å; G281-Q284 VanDerWaalsContact CA-OE1 3.31Å; G281-Q284 PolarHBondContact O-N 3.03Å; G281-R285 WeakPolarHBondContact O-CB 3.26Å; G281-R285 PolarHBondContact O-N 3.06Å |
| 282 | V | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 111 | M192 E245 V247 A277 C280 Q284 R285 L286 | M192-V282 HydrophobicContact CE-CG1 4.35Å; M192-V282 HydrophobicContact CE-CG2 4.03Å; M192-V282 HydrophobicContact SD-CG1 4.42Å; E245-V282 HydrophobicContact CB-CG1 4.15Å; E245-V282 HydrophobicContact CG-CG1 3.97Å; V247-V282 HydrophobicContact CG1-CG2 4.17Å; A277-V282 HydrophobicContact CB-CB 4.46Å; A277-V282 WeakPolarHBondContact O-CA 3.48Å; A277-V282 WeakPolarHBondContact O-CB 3.16Å; A277-V282 PolarHBondContact O-N 3.45Å; C280-V282 PolarHBondContact O-N 3.42Å; V282-Q284 PolarHBondContact O-N 2.82Å; V282-R285 PolarHBondContact O-N 2.59Å; V282-L286 HydrophobicContact CG1-CD1 4.07Å; V282-L286 HydrophobicContact CG1-CG 4.24Å; V282-L286 WeakPolarHBondContact O-CB 3.35Å; V282-L286 VanDerWaalsContact O-CG 3.29Å; V282-L286 WeakPolarHBondContact O-CG 3.45Å; V282-L286 PolarHBondContact O-N 3.11Å |
| 283 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -48.7 | 177.1 | -62.9 | -57.7 | 0 | 0 | 0 | 111 | V163 I190 A277 V278 G281 R285 L286 Q287 L292 L300 | V163-I283 HydrophobicContact CG2-CD1 4.28Å; I190-I283 HydrophobicContact CD1-CD1 4.37Å; I190-I283 HydrophobicContact CG1-CD1 4.35Å; A277-I283 HydrophobicContact CB-CD1 4.37Å; A277-I283 HydrophobicContact CB-CG1 4.4Å; A277-I283 WeakPolarHBondContact O-CG1 3.45Å; A277-I283 PolarHBondContact O-N 3.45Å; V278-I283 HydrophobicContact CG2-CG1 4.3Å; G281-I283 VanDerWaalsContact C-N 3.34Å; G281-I283 PolarHBondContact O-N 2.95Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.01Å; I283-L286 PolarHBondContact O-N 2.67Å; I283-Q287 WeakPolarHBondContact O-CB 3.39Å; I283-Q287 WeakPolarHBondContact O-CG 3.02Å; I283-Q287 PolarHBondContact O-N 3.19Å; I283-L292 HydrophobicContact CD1-CD1 4.13Å; I283-L292 HydrophobicContact CG2-CD1 4.47Å; I283-L300 HydrophobicContact CD1-CD1 4.11Å; I283-L300 HydrophobicContact CD1-CD2 4.23Å; I283-L300 HydrophobicContact CG1-CD2 3.92Å |
| 284 | Q | 97.6 | Very high | 97.8 | Very high | 63 Ų | 63 | 38.6 Ų | 38.6 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 179.2 | -64.9 | 84.6 | -17.3 | 0 | 0 | 111.3 | R22 G281 V282 Q287 G288 | R22-Q284 PolarHBondContact O-NE2 3Å; G281-Q284 VanDerWaalsContact CA-OE1 3.31Å; G281-Q284 PolarHBondContact O-N 3.03Å; V282-Q284 PolarHBondContact O-N 2.82Å; Q284-Q287 WeakPolarHBondContact O-CB 3.49Å; Q284-Q287 PolarHBondContact O-N 3.01Å; Q284-G288 PolarHBondContact O-N 3.11Å |
| 285 | R | 98.1 | Very high | 97.5 | Very high | 98 Ų | 98 | 43.3 Ų | 43.3 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 173.6 | 179 | 177 | 60.9 | 84.5 | -4.8 | 111.4 | E245 G281 V282 I283 Q287 G288 E289 | E245-R285 IonicContact OE2-CZ 3.93Å; E245-R285 IonicContact OE2-NH1 2.76Å; E245-R285 PolarHBondContact OE2-NH1 3.15Å; E245-R285 IonicContact OE2-NH2 3.66Å; E245-R285 PolarHBondContact OE2-NH2 2.84Å; G281-R285 WeakPolarHBondContact O-CB 3.26Å; G281-R285 PolarHBondContact O-N 3.06Å; V282-R285 PolarHBondContact O-N 2.59Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.01Å; R285-Q287 PolarHBondContact O-N 2.79Å; R285-G288 PolarHBondContact O-N 3.07Å; R285-G288 VanDerWaalsContact O-N 3.09Å; R285-E289 WeakPolarHBondContact CD-OE1 3.45Å; R285-E289 HydrophobicContact CG-CG 4.38Å; R285-E289 WeakPolarHBondContact CG-OE1 3.45Å; R285-E289 IonicContact CZ-OE1 3.16Å; R285-E289 IonicContact NE-OE1 2.86Å; R285-E289 IonicContact NH1-OE1 2.74Å; R285-E289 PolarHBondContact NH1-OE1 2.8Å; R285-E289 IonicContact NH1-OE2 3.75Å; R285-E289 PolarHBondContact NH1-OE2 3.03Å; R285-E289 WeakPolarHBondContact O-CG 3.41Å; R285-E289 PolarHBondContact O-N 3.27Å |
| 286 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -35.2 | 177.5 | -73.1 | 176 | 0 | 0 | 0 | 112.3 | I190 I243 E245 V282 I283 G290 R291 L292 | I190-L286 HydrophobicContact CG1-CD1 4.12Å; I190-L286 HydrophobicContact CG2-CD1 4.34Å; I243-L286 HydrophobicContact CG2-CD1 4.13Å; I243-L286 HydrophobicContact CG2-CD2 4.01Å; E245-L286 HydrophobicContact CG-CD1 4.21Å; E245-L286 HydrophobicContact CG-CD2 4.29Å; E245-L286 WeakPolarHBondContact OE1-CD2 3.31Å; V282-L286 HydrophobicContact CG1-CD1 4.07Å; V282-L286 HydrophobicContact CG1-CG 4.24Å; V282-L286 WeakPolarHBondContact O-CB 3.35Å; V282-L286 VanDerWaalsContact O-CG 3.29Å; V282-L286 WeakPolarHBondContact O-CG 3.45Å; V282-L286 PolarHBondContact O-N 3.11Å; I283-L286 PolarHBondContact O-N 2.67Å; L286-G290 PolarHBondContact O-N 3.46Å; L286-R291 HydrophobicContact CD2-CB 4.07Å; L286-R291 VanDerWaalsContact CD2-NH1 3.27Å; L286-R291 PolarHBondContact O-N 3.49Å; L286-L292 HydrophobicContact CB-CB 4.26Å; L286-L292 HydrophobicContact CB-CD1 3.74Å; L286-L292 HydrophobicContact CB-CG 3.89Å; L286-L292 HydrophobicContact CD1-CD1 3.76Å; L286-L292 HydrophobicContact CD1-CG 4.28Å; L286-L292 HydrophobicContact CG-CD1 4.43Å; L286-L292 PolarHBondContact O-N 3.02Å; L286-L292 VanDerWaalsContact O-N 3.1Å |
| 287 | Q | 97.9 | Very high | 97.1 | Very high | 28 Ų | 28 | 47.9 Ų | 47.9 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 172.3 | -81.4 | -179.5 | -49.8 | 0 | 0 | 112.3 | I283 Q284 R285 E289 G290 L292 P293 V294 | I283-Q287 WeakPolarHBondContact O-CB 3.39Å; I283-Q287 WeakPolarHBondContact O-CG 3.02Å; I283-Q287 PolarHBondContact O-N 3.19Å; Q284-Q287 WeakPolarHBondContact O-CB 3.49Å; Q284-Q287 PolarHBondContact O-N 3.01Å; R285-Q287 PolarHBondContact O-N 2.79Å; Q287-E289 VanDerWaalsContact C-N 3.29Å; Q287-E289 PolarHBondContact O-N 3.2Å; Q287-G290 PolarHBondContact O-N 3.41Å; Q287-L292 WeakPolarHBondContact CA-O 3.33Å; Q287-L292 HydrophobicContact CG-CB 3.84Å; Q287-P293 PolarHBondContact NE2-O 3.5Å; Q287-V294 HydrophobicContact CB-CG2 3.48Å; Q287-V294 VanDerWaalsContact CB-CG2 3.48Å; Q287-V294 HydrophobicContact CG-CG2 3.69Å |
| 288 | G | 97.8 | Very high | 97 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 76% | 0.763 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64 | -32.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q284 R285 G290 | Q284-G288 PolarHBondContact O-N 3.11Å; R285-G288 PolarHBondContact O-N 3.07Å; R285-G288 VanDerWaalsContact O-N 3.09Å; G288-G290 PolarHBondContact O-N 3.1Å |
| 289 | E | 97.9 | Very high | 97 | Very high | 93 Ų | 93 | 48.8 Ų | 48.8 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -4 | 173.7 | -69.7 | 172.2 | -166.9 | 0 | 0 | 113.2 | R285 Q287 R291 | R285-E289 WeakPolarHBondContact CD-OE1 3.45Å; R285-E289 HydrophobicContact CG-CG 4.38Å; R285-E289 WeakPolarHBondContact CG-OE1 3.45Å; R285-E289 IonicContact CZ-OE1 3.16Å; R285-E289 IonicContact NE-OE1 2.86Å; R285-E289 IonicContact NH1-OE1 2.74Å; R285-E289 PolarHBondContact NH1-OE1 2.8Å; R285-E289 IonicContact NH1-OE2 3.75Å; R285-E289 PolarHBondContact NH1-OE2 3.03Å; R285-E289 WeakPolarHBondContact O-CG 3.41Å; R285-E289 PolarHBondContact O-N 3.27Å; Q287-E289 VanDerWaalsContact C-N 3.29Å; Q287-E289 PolarHBondContact O-N 3.2Å; E289-R291 HydrophobicContact CB-CG 4.12Å; E289-R291 PolarHBondContact O-N 3.44Å; E289-R291 WeakPolarHBondContact OE2-CD 3.39Å; E289-R291 IonicContact OE2-CZ 2.83Å; E289-R291 IonicContact OE2-NH1 3.97Å; E289-R291 PolarHBondContact OE2-NH1 2.93Å; E289-R291 VanDerWaalsContact OE2-NH1 3.07Å |
| 290 | G | 97.3 | Very high | 97 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 68% | 0.68 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 12.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L286 Q287 G288 | L286-G290 PolarHBondContact O-N 3.46Å; Q287-G290 PolarHBondContact O-N 3.41Å; G288-G290 PolarHBondContact O-N 3.1Å |
| 291 | R | 97.5 | Very high | 97 | Very high | 112 Ų | 112 | 46.3 Ų | 46.3 | 42% | 0.423 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -85.3 | -18.3 | 178.5 | -64.9 | 171.5 | 69.6 | -156.4 | -2.2 | 112.4 | I243 E245 L286 E289 | I243-R291 VanDerWaalsContact CG2-NH2 3.28Å; E245-R291 IonicContact OE1-CZ 3.78Å; E245-R291 IonicContact OE1-NH1 3.09Å; E245-R291 PolarHBondContact OE1-NH1 2.87Å; E245-R291 IonicContact OE1-NH2 3.98Å; E245-R291 PolarHBondContact OE1-NH2 2.88Å; L286-R291 HydrophobicContact CD2-CB 4.07Å; L286-R291 VanDerWaalsContact CD2-NH1 3.27Å; L286-R291 PolarHBondContact O-N 3.49Å; E289-R291 HydrophobicContact CB-CG 4.12Å; E289-R291 PolarHBondContact O-N 3.44Å; E289-R291 WeakPolarHBondContact OE2-CD 3.39Å; E289-R291 IonicContact OE2-CZ 2.83Å; E289-R291 IonicContact OE2-NH1 3.97Å; E289-R291 PolarHBondContact OE2-NH1 2.93Å; E289-R291 VanDerWaalsContact OE2-NH1 3.07Å |
| 292 | L | 97.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -127.3 | 147.3 | 166.9 | -72.1 | 178.6 | 0 | 0 | 0 | 110.4 | P188 I190 I243 I283 L286 Q287 L296 | P188-L292 HydrophobicContact CB-CD2 3.9Å; P188-L292 HydrophobicContact CG-CD2 3.69Å; I190-L292 HydrophobicContact CD1-CD1 4.28Å; I190-L292 HydrophobicContact CD1-CD2 4.47Å; I190-L292 HydrophobicContact CG1-CD1 4.4Å; I243-L292 HydrophobicContact CD1-CD2 3.83Å; I243-L292 HydrophobicContact CD1-CG 4.24Å; I283-L292 HydrophobicContact CD1-CD1 4.13Å; I283-L292 HydrophobicContact CG2-CD1 4.47Å; L286-L292 HydrophobicContact CB-CB 4.26Å; L286-L292 HydrophobicContact CB-CD1 3.74Å; L286-L292 HydrophobicContact CB-CG 3.89Å; L286-L292 HydrophobicContact CD1-CD1 3.76Å; L286-L292 HydrophobicContact CD1-CG 4.28Å; L286-L292 HydrophobicContact CG-CD1 4.43Å; L286-L292 PolarHBondContact O-N 3.02Å; L286-L292 VanDerWaalsContact O-N 3.1Å; Q287-L292 WeakPolarHBondContact CA-O 3.33Å; Q287-L292 HydrophobicContact CG-CB 3.84Å; L292-L296 HydrophobicContact CB-CD2 4.29Å |
| 293 | P | 95.2 | Very high | 97.1 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | trans | -72.5 | 153.6 | 179.1 | 29 | -33.2 | 0 | 0 | 0 | 112.7 | Q287 P295 L296 | Q287-P293 PolarHBondContact NE2-O 3.5Å; P293-P295 CarbonylContact C-O 3.54Å; P293-P295 CarbonylContact O-C 3.34Å; P293-P295 VanDerWaalsContact O-C 3.31Å; P293-L296 HydrophobicContact CG-CD2 4.15Å; P293-L296 PolarHBondContact O-N 3.32Å | ||
| 294 | V | 94 | Very high | 97.1 | Very high | 110 Ų | 110 | 44.9 Ų | 44.9 | 67% | 0.667 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -121.6 | 114.1 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 109 | Q287 | Q287-V294 HydrophobicContact CB-CG2 3.48Å; Q287-V294 VanDerWaalsContact CB-CG2 3.48Å; Q287-V294 HydrophobicContact CG-CG2 3.69Å |
| 295 | P | 91.7 | Very high | 97.2 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 66% | 0.662 | 27% | 0.269 | S | S | * | . | S | Bend | cis | -69.6 | 170.3 | -9.7 | 32.6 | -36.1 | 0 | 0 | 0 | 112.1 | P293 | P293-P295 CarbonylContact C-O 3.54Å; P293-P295 CarbonylContact O-C 3.34Å; P293-P295 VanDerWaalsContact O-C 3.31Å |
| 296 | L | 95.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | trans | -60.3 | 147.1 | 165.8 | -68.6 | -174.9 | 0 | 0 | 0 | 110 | T25 A161 L292 P293 G298 L300 | T25-L296 HydrophobicContact CG2-CD1 3.97Å; T25-L296 HydrophobicContact CG2-CG 4.48Å; A161-L296 HydrophobicContact CB-CD1 4.28Å; L292-L296 HydrophobicContact CB-CD2 4.29Å; P293-L296 HydrophobicContact CG-CD2 4.15Å; P293-L296 PolarHBondContact O-N 3.32Å; L296-G298 VanDerWaalsContact CB-O 3.32Å; L296-G298 WeakPolarHBondContact CB-O 3.41Å; L296-G298 PolarHBondContact O-N 2.91Å; L296-L300 HydrophobicContact CD1-CB 4.07Å; L296-L300 HydrophobicContact CD1-CD1 4.2Å | ||
| 297 | A | 94 | Very high | 96.8 | Very high | 87 Ų | 87 | 38.2 Ų | 38.2 | 72% | 0.719 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -72.1 | 2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 298 | G | 96.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 177.3 | -176.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G160 L296 | G160-G298 WeakPolarHBondContact CA-O 3.41Å; G160-G298 VanDerWaalsContact N-C 3.3Å; G160-G298 PolarHBondContact N-O 3.48Å; L296-G298 VanDerWaalsContact CB-O 3.32Å; L296-G298 WeakPolarHBondContact CB-O 3.41Å; L296-G298 PolarHBondContact O-N 2.91Å |
| 299 | P | 98.2 | Very high | 95.6 | Very high | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.045 | 23% | 0.227 | C | C | . | . | trans | -65 | 153.1 | -177.3 | 26.4 | -35.1 | 0 | 0 | 0 | 112.6 | E26 Y28 L155 P159 G160 | E26-P299 HydrophobicContact CB-CB 3.94Å; E26-P299 CarbonylContact O-C 3.59Å; E26-P299 VanDerWaalsContact O-CA 3.29Å; E26-P299 WeakPolarHBondContact O-CA 3.36Å; E26-P299 WeakPolarHBondContact O-CB 3.36Å; Y28-P299 HydrophobicContact CD2-CB 3.59Å; Y28-P299 HydrophobicContact CD2-CG 4.08Å; Y28-P299 HydrophobicContact CE2-CB 3.6Å; Y28-P299 HydrophobicContact CE2-CG 3.96Å; L155-P299 HydrophobicContact CD1-CG 4.37Å; L155-P299 HydrophobicContact CD2-CG 3.89Å; P159-P299 CarbonylContact C-O 3.54Å; P159-P299 WeakPolarHBondContact CA-O 3.41Å; P159-P299 VanDerWaalsContact CB-O 3.24Å; P159-P299 WeakPolarHBondContact CB-O 3.27Å; G160-P299 PolarHBondContact N-O 3.24Å | ||
| 300 | L | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 130.9 | 168.1 | -177.8 | 67.1 | 0 | 0 | 0 | 109.4 | T23 T25 E26 V27 Y28 A161 V163 V278 I283 L296 M302 | T23-L300 HydrophobicContact CG2-CD2 4.38Å; T25-L300 HydrophobicContact CG2-CB 4.38Å; E26-L300 PolarHBondContact O-N 3.43Å; V27-L300 CarbonylContact C-O 3.51Å; V27-L300 WeakPolarHBondContact CA-O 3.4Å; V27-L300 HydrophobicContact CG1-CD2 4.38Å; V27-L300 HydrophobicContact CG2-CB 4.17Å; V27-L300 HydrophobicContact CG2-CD2 4.12Å; Y28-L300 PolarHBondContact N-O 3.32Å; A161-L300 HydrophobicContact CB-CD1 3.57Å; V163-L300 HydrophobicContact CG2-CD1 3.66Å; V163-L300 HydrophobicContact CG2-CG 4.28Å; V278-L300 HydrophobicContact CG2-CD2 3.57Å; I283-L300 HydrophobicContact CD1-CD1 4.11Å; I283-L300 HydrophobicContact CD1-CD2 4.23Å; I283-L300 HydrophobicContact CG1-CD2 3.92Å; L296-L300 HydrophobicContact CD1-CB 4.07Å; L296-L300 HydrophobicContact CD1-CD1 4.2Å; L300-M302 HydrophobicContact CD2-SD 3.89Å; L300-M302 HydrophobicContact CG-SD 4.07Å |
| 301 | V | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.8 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | F13 Y28 I151 L155 P159 A161 V162 V163 | F13-V301 HydrophobicContact CE2-CG1 3.93Å; F13-V301 HydrophobicContact CE2-CG2 4.25Å; F13-V301 HydrophobicContact CZ-CG2 4.03Å; Y28-V301 CarbonylContact O-C 3.6Å; Y28-V301 WeakPolarHBondContact O-CA 3.41Å; I151-V301 HydrophobicContact CD1-CG1 3.87Å; I151-V301 HydrophobicContact CG1-CG1 4.34Å; I151-V301 HydrophobicContact CG2-CG1 4.38Å; I151-V301 HydrophobicContact CG2-CG2 4.23Å; L155-V301 HydrophobicContact CD1-CG2 3.98Å; P159-V301 HydrophobicContact CB-CG2 3.75Å; P159-V301 HydrophobicContact CG-CG2 4.34Å; A161-V301 PolarHBondContact O-N 3.1Å; V162-V301 CarbonylContact C-O 3.31Å; V162-V301 WeakPolarHBondContact CA-O 3.28Å; V162-V301 HydrophobicContact CG2-CB 4.41Å; V163-V301 PolarHBondContact N-O 3.48Å |
| 302 | M | 98.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120 | 174.6 | -53.6 | -61.3 | -67.7 | 0 | 0 | 109.7 | M19 V27 Y28 L29 K30 V163 A274 A277 V278 L300 V304 | M19-M302 HydrophobicContact SD-CG 4.12Å; V27-M302 HydrophobicContact CG1-CG 3.64Å; Y28-M302 PolarHBondContact O-N 3.02Å; L29-M302 HydrophobicContact CD2-CB 3.81Å; L29-M302 HydrophobicContact CD2-CG 4Å; K30-M302 PolarHBondContact N-O 2.85Å; V163-M302 HydrophobicContact CB-CE 3.87Å; V163-M302 HydrophobicContact CB-SD 3.58Å; V163-M302 VanDerWaalsContact CB-SD 3.58Å; V163-M302 HydrophobicContact CG1-CE 3.82Å; V163-M302 HydrophobicContact CG1-SD 4.19Å; V163-M302 HydrophobicContact CG2-CE 4.18Å; V163-M302 HydrophobicContact CG2-SD 3.46Å; V163-M302 WeakPolarHBondContact CG2-SD 3.41Å; A274-M302 WeakPolarHBondContact O-CE 3.33Å; A277-M302 HydrophobicContact CB-CE 4.36Å; V278-M302 HydrophobicContact CG2-CE 4.11Å; V278-M302 HydrophobicContact CG2-SD 3.86Å; L300-M302 HydrophobicContact CD2-SD 3.89Å; L300-M302 HydrophobicContact CG-SD 4.07Å; M302-V304 PolarHBondContact O-N 3.48Å |
| 303 | I | 98.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 102.4 | 168.1 | -60.7 | 178.3 | 0 | 0 | 0 | 108.1 | E32 I147 V162 V163 L164 L171 V175 C305 | E32-I303 HydrophobicContact CG-CG2 4.12Å; I147-I303 HydrophobicContact CG2-CD1 4.05Å; I147-I303 HydrophobicContact CG2-CG1 4.42Å; V162-I303 HydrophobicContact CG1-CD1 3.95Å; V162-I303 HydrophobicContact CG1-CG1 4.2Å; V163-I303 PolarHBondContact O-N 2.94Å; L164-I303 HydrophobicContact CB-CB 4.34Å; L164-I303 HydrophobicContact CB-CD1 4.22Å; L164-I303 HydrophobicContact CD2-CD1 4.44Å; L171-I303 HydrophobicContact CD1-CG2 4.49Å; L171-I303 HydrophobicContact CD2-CG2 4.15Å; V175-I303 HydrophobicContact CG2-CD1 3.51Å; I303-C305 VanDerWaalsContact C-N 3.28Å; I303-C305 PolarHBondContact O-N 3.45Å |
| 304 | V | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -80 | 80.2 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 108 | L29 K30 M31 E32 S33 F259 V267 L275 M302 G306 | L29-V304 HydrophobicContact CB-CG2 3.94Å; L29-V304 HydrophobicContact CD2-CG2 4.1Å; L29-V304 HydrophobicContact CG-CG2 4.48Å; K30-V304 PolarHBondContact O-N 2.89Å; M31-V304 HydrophobicContact SD-CB 4.14Å; M31-V304 HydrophobicContact SD-CG1 4.33Å; M31-V304 HydrophobicContact SD-CG2 3.92Å; E32-V304 CarbonylContact C-O 3.55Å; E32-V304 WeakPolarHBondContact CA-O 3.47Å; E32-V304 VanDerWaalsContact CB-O 3.31Å; E32-V304 WeakPolarHBondContact CB-O 3.33Å; E32-V304 PolarHBondContact N-O 3.48Å; E32-V304 VanDerWaalsContact N-O 3.12Å; S33-V304 PolarHBondContact N-O 3.29Å; F259-V304 HydrophobicContact CE1-CG1 3.9Å; F259-V304 HydrophobicContact CE2-CG2 4.44Å; F259-V304 HydrophobicContact CZ-CG1 3.75Å; F259-V304 HydrophobicContact CZ-CG2 4.04Å; V267-V304 HydrophobicContact CG1-CG1 4.03Å; L275-V304 HydrophobicContact CD2-CG2 4.39Å; M302-V304 PolarHBondContact O-N 3.48Å; V304-G306 PolarHBondContact O-N 2.82Å | ||
| 305 | C | 98.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 5% | 0.054 | 18% | 0.184 | C | C | . | . | trans | -58.4 | -20.6 | -169.9 | 67.3 | 0 | 0 | 0 | 0 | 114 | S39 F40 L171 C271 I303 | S39-C305 VanDerWaalsContact CA-O 3.28Å; S39-C305 WeakPolarHBondContact CA-O 3.22Å; S39-C305 VanDerWaalsContact CB-O 3.24Å; S39-C305 WeakPolarHBondContact CB-O 3.47Å; F40-C305 HydrophobicContact CD1-CB 3.71Å; F40-C305 HydrophobicContact CE1-CB 4.07Å; F40-C305 PolarHBondContact N-O 2.85Å; L171-C305 HydrophobicContact CD2-CB 4.48Å; C271-C305 WeakPolarHBondContact CA-SG 3.47Å; C271-C305 WeakPolarHBondContact CB-SG 3.23Å; C271-C305 PolarHBondContact SG-N 2.98Å; I303-C305 VanDerWaalsContact C-N 3.28Å; I303-C305 PolarHBondContact O-N 3.45Å | ||
| 306 | G | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | 82.2 | -131.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E268 C271 V304 | E268-G306 PolarHBondContact N-O 3.26Å; C271-G306 WeakPolarHBondContact CB-O 3.44Å; V304-G306 PolarHBondContact O-N 2.82Å |
| 307 | G | 91.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 12% | 0.124 | 19% | 0.19 | C | C | . | . | trans | 130.7 | 137.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G38 N67 E268 | G38-G307 PolarHBondContact O-N 3.05Å; N67-G307 WeakPolarHBondContact OD1-CA 3.4Å; E268-G307 WeakPolarHBondContact OE2-CA 3.39Å | ||
| 308 | S | 85.4 | Confident | 94.8 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -106.4 | -6.5 | -171.9 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | N67 K98 E268 | N67-S308 PolarHBondContact OD1-N 3.45Å; N67-S308 PolarHBondContact OD1-OG 2.74Å; K98-S308 PolarHBondContact NZ-O 3.45Å; E268-S308 PolarHBondContact OE1-N 2.7Å |
| 309 | S | 85 | Confident | 94.7 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -99.9 | 25.2 | -176.6 | -24.3 | 0 | 0 | 0 | 0 | 112.2 | E268 Q314 | E268-S309 WeakPolarHBondContact OE1-CA 3.45Å; E268-S309 WeakPolarHBondContact OE1-CB 3.48Å; E268-S309 PolarHBondContact OE1-N 3.09Å; E268-S309 PolarHBondContact OE1-OG 3.48Å; S309-Q314 VanDerWaalsContact C-OE1 3.26Å; S309-Q314 PolarHBondContact O-NE2 3.49Å; S309-Q314 PolarHBondContact O-OE1 2.79Å |
| 310 | I | 91.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | trans | -120.4 | 145.1 | 172.6 | -166.5 | 69.2 | 0 | 0 | 0 | 110.2 | L266 E268 Q314 L315 L318 | L266-I310 HydrophobicContact CD1-CG1 4.09Å; L266-I310 HydrophobicContact CD2-CG1 4.06Å; L266-I310 HydrophobicContact CD2-CG2 4.29Å; L266-I310 HydrophobicContact CG-CG1 3.98Å; L266-I310 HydrophobicContact CG-CG2 3.94Å; E268-I310 HydrophobicContact CG-CB 3.9Å; E268-I310 HydrophobicContact CG-CG2 4Å; I310-Q314 HydrophobicContact CD1-CB 3.85Å; I310-L315 HydrophobicContact CD1-CB 4.49Å; I310-L318 HydrophobicContact CD1-CD1 3.91Å | ||
| 311 | N | 92.4 | Very high | 94.3 | Very high | 50 Ų | 50 | 40.7 Ų | 40.7 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | trans | -153.5 | -177.5 | 168.1 | 67.7 | 19.1 | 0 | 0 | 0 | 108.5 | L94 A313 Q314 L315 | L94-N311 WeakPolarHBondContact CD2-ND2 3.49Å; N311-A313 PolarHBondContact O-N 2.83Å; N311-A313 PolarHBondContact OD1-N 3.21Å; N311-Q314 PolarHBondContact O-N 3.45Å; N311-Q314 WeakPolarHBondContact OD1-CG 3.49Å; N311-Q314 PolarHBondContact OD1-N 2.97Å; N311-Q314 PolarHBondContact OD1-OE1 2.87Å; N311-L315 PolarHBondContact O-N 3.28Å | ||
| 312 | Q | 94.4 | Very high | 94 | Very high | 140 Ų | 140 | 41.6 Ų | 41.6 | 65% | 0.654 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -57 | -46.4 | 179.7 | -176.2 | 180 | -10.3 | 0 | 0 | 113 | Q314 L315 E316 | Q312-Q314 VanDerWaalsContact C-N 3.3Å; Q312-Q314 PolarHBondContact O-N 3.25Å; Q312-L315 PolarHBondContact O-N 3.38Å; Q312-E316 PolarHBondContact NE2-OE1 3.22Å; Q312-E316 VanDerWaalsContact NE2-OE1 3.11Å; Q312-E316 WeakPolarHBondContact O-CG 3.35Å; Q312-E316 PolarHBondContact O-N 3.07Å |
| 313 | A | 93.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 53% | 0.529 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -36.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N311 H317 | N311-A313 PolarHBondContact O-N 2.83Å; N311-A313 PolarHBondContact OD1-N 3.21Å; A313-H317 WeakPolarHBondContact O-CB 3.44Å; A313-H317 PolarHBondContact O-N 3.46Å |
| 314 | Q | 92.4 | Very high | 91.2 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 19% | 0.192 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.2 | -37.1 | 176 | -68.4 | 172 | -60.3 | 0 | 0 | 111.8 | S309 I310 N311 Q312 H317 L318 | S309-Q314 VanDerWaalsContact C-OE1 3.26Å; S309-Q314 PolarHBondContact O-NE2 3.49Å; S309-Q314 PolarHBondContact O-OE1 2.79Å; I310-Q314 HydrophobicContact CD1-CB 3.85Å; N311-Q314 PolarHBondContact O-N 3.45Å; N311-Q314 WeakPolarHBondContact OD1-CG 3.49Å; N311-Q314 PolarHBondContact OD1-N 2.97Å; N311-Q314 PolarHBondContact OD1-OE1 2.87Å; Q312-Q314 VanDerWaalsContact C-N 3.3Å; Q312-Q314 PolarHBondContact O-N 3.25Å; Q314-H317 WeakPolarHBondContact O-CB 3.34Å; Q314-H317 PolarHBondContact O-N 2.84Å; Q314-L318 WeakPolarHBondContact O-CG 3.41Å; Q314-L318 PolarHBondContact O-N 2.87Å |
| 315 | L | 95.4 | Very high | 90.8 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 172.2 | -177.7 | 64.2 | 0 | 0 | 0 | 111.1 | L253 V256 E257 L260 L266 I310 N311 Q312 H317 L318 R319 | L253-L315 HydrophobicContact CD1-CD1 3.63Å; V256-L315 HydrophobicContact CG1-CD1 4.11Å; E257-L315 HydrophobicContact CG-CD1 4.25Å; L260-L315 HydrophobicContact CD2-CD2 4.07Å; L266-L315 HydrophobicContact CD1-CD2 4.08Å; I310-L315 HydrophobicContact CD1-CB 4.49Å; N311-L315 PolarHBondContact O-N 3.28Å; Q312-L315 PolarHBondContact O-N 3.38Å; L315-H317 VanDerWaalsContact C-N 3.3Å; L315-H317 PolarHBondContact O-N 3.39Å; L315-L318 PolarHBondContact O-N 3.47Å; L315-R319 WeakPolarHBondContact O-CG 3.42Å; L315-R319 PolarHBondContact O-N 3.13Å |
| 316 | E | 95.7 | Very high | 90.4 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 173.9 | -72.3 | 173.6 | -163.6 | 0 | 0 | 112.8 | Q312 K320 | Q312-E316 PolarHBondContact NE2-OE1 3.22Å; Q312-E316 VanDerWaalsContact NE2-OE1 3.11Å; Q312-E316 WeakPolarHBondContact O-CG 3.35Å; Q312-E316 PolarHBondContact O-N 3.07Å; E316-K320 WeakPolarHBondContact O-CG 3.44Å; E316-K320 PolarHBondContact O-N 3.33Å |
| 317 | H | 93.6 | Very high | 90 | Very high | 106 Ų | 106 | 68.9 Ų | 68.9 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 173.3 | 178.4 | 70.9 | 0 | 0 | 0 | 111.5 | A313 Q314 L315 R319 K320 V321 | A313-H317 WeakPolarHBondContact O-CB 3.44Å; A313-H317 PolarHBondContact O-N 3.46Å; Q314-H317 WeakPolarHBondContact O-CB 3.34Å; Q314-H317 PolarHBondContact O-N 2.84Å; L315-H317 VanDerWaalsContact C-N 3.3Å; L315-H317 PolarHBondContact O-N 3.39Å; H317-R319 VanDerWaalsContact C-N 3.31Å; H317-R319 PolarHBondContact O-N 3.01Å; H317-K320 WeakPolarHBondContact O-CB 3.27Å; H317-K320 PolarHBondContact O-N 3.36Å; H317-V321 WeakPolarHBondContact O-CG2 3.37Å; H317-V321 PolarHBondContact O-N 2.99Å |
| 318 | L | 94.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 177.1 | -71.2 | 171.8 | 0 | 0 | 0 | 111.5 | E218 L253 L269 I310 Q314 L315 K320 V321 L322 | E218-L318 HydrophobicContact CB-CD2 3.87Å; E218-L318 HydrophobicContact CG-CD2 4.38Å; L253-L318 HydrophobicContact CD1-CB 4.07Å; L269-L318 HydrophobicContact CD2-CD2 4.41Å; I310-L318 HydrophobicContact CD1-CD1 3.91Å; Q314-L318 WeakPolarHBondContact O-CG 3.41Å; Q314-L318 PolarHBondContact O-N 2.87Å; L315-L318 PolarHBondContact O-N 3.47Å; L318-K320 VanDerWaalsContact C-N 3.28Å; L318-K320 PolarHBondContact O-N 3.2Å; L318-V321 PolarHBondContact O-N 3.39Å; L318-L322 HydrophobicContact CB-CD1 4.46Å; L318-L322 HydrophobicContact CD2-CD1 4.44Å; L318-L322 VanDerWaalsContact O-CB 3.31Å; L318-L322 WeakPolarHBondContact O-CB 3.09Å; L318-L322 WeakPolarHBondContact O-CG 3.09Å; L318-L322 PolarHBondContact O-N 2.9Å |
| 319 | R | 95.5 | Very high | 90.2 | Very high | 96 Ų | 96 | 75.6 Ų | 75.6 | 36% | 0.362 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.2 | -44.4 | 172.2 | -72.3 | 169.9 | 174.5 | 165.1 | -2.4 | 112.3 | L253 E257 L315 H317 N323 | L253-R319 HydrophobicContact CD2-CG 4.32Å; E257-R319 IonicContact OE1-CZ 2.69Å; E257-R319 IonicContact OE1-NE 3.52Å; E257-R319 PolarHBondContact OE1-NE 3.4Å; E257-R319 IonicContact OE1-NH2 3.07Å; E257-R319 PolarHBondContact OE1-NH2 3.05Å; L315-R319 WeakPolarHBondContact O-CG 3.42Å; L315-R319 PolarHBondContact O-N 3.13Å; H317-R319 VanDerWaalsContact C-N 3.31Å; H317-R319 PolarHBondContact O-N 3.01Å; R319-N323 WeakPolarHBondContact O-CB 3.39Å; R319-N323 VanDerWaalsContact O-CG 3.27Å; R319-N323 PolarHBondContact O-N 3.38Å; R319-N323 VanDerWaalsContact O-N 3.12Å; R319-N323 PolarHBondContact O-ND2 3.05Å |
| 320 | K | 94.4 | Very high | 90.5 | Very high | 132 Ų | 132 | 79.5 Ų | 79.5 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71.8 | -33 | -178.5 | -71.9 | 171.4 | -174.1 | 172.4 | 0 | 113 | E316 H317 L318 R324 | E316-K320 WeakPolarHBondContact O-CG 3.44Å; E316-K320 PolarHBondContact O-N 3.33Å; H317-K320 WeakPolarHBondContact O-CB 3.27Å; H317-K320 PolarHBondContact O-N 3.36Å; L318-K320 VanDerWaalsContact C-N 3.28Å; L318-K320 PolarHBondContact O-N 3.2Å; K320-R324 VanDerWaalsContact O-CD 3.23Å; K320-R324 WeakPolarHBondContact O-CD 3.18Å; K320-R324 VanDerWaalsContact O-CG 3.26Å; K320-R324 WeakPolarHBondContact O-CG 3.34Å; K320-R324 PolarHBondContact O-NE 3.21Å |
| 321 | V | 93.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 83.7 Ų | 83.7 | 30% | 0.297 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -80 | -40.7 | -179.1 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | E218 H317 L318 | E218-V321 HydrophobicContact CG-CG1 4.18Å; H317-V321 WeakPolarHBondContact O-CG2 3.37Å; H317-V321 PolarHBondContact O-N 2.99Å; L318-V321 PolarHBondContact O-N 3.39Å |
| 322 | L | 92.5 | Very high | 90.3 | Very high | 18 Ų | 18 | 86.3 Ų | 86.3 | 9% | 0.094 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -91.6 | -18.4 | -171.7 | -62.9 | 175.4 | 0 | 0 | 0 | 114.7 | E218 D249 Q250 L253 L269 L318 R324 | E218-L322 HydrophobicContact CB-CD2 4.47Å; E218-L322 HydrophobicContact CG-CD2 3.87Å; E218-L322 HydrophobicContact CG-CG 4.43Å; D249-L322 HydrophobicContact CB-CD1 3.88Å; D249-L322 HydrophobicContact CB-CD2 3.58Å; D249-L322 HydrophobicContact CB-CG 4.39Å; Q250-L322 HydrophobicContact CG-CB 4.27Å; Q250-L322 PolarHBondContact NE2-O 3.13Å; L253-L322 HydrophobicContact CB-CD1 4.03Å; L253-L322 HydrophobicContact CD2-CB 4.18Å; L253-L322 HydrophobicContact CD2-CD1 3.98Å; L269-L322 HydrophobicContact CD2-CD1 4.23Å; L318-L322 HydrophobicContact CB-CD1 4.46Å; L318-L322 HydrophobicContact CD2-CD1 4.44Å; L318-L322 VanDerWaalsContact O-CB 3.31Å; L318-L322 WeakPolarHBondContact O-CB 3.09Å; L318-L322 WeakPolarHBondContact O-CG 3.09Å; L318-L322 PolarHBondContact O-N 2.9Å; L322-R324 VanDerWaalsContact C-N 3.35Å |
| 323 | N | 82.2 | Confident | 90 | Very high | 118 Ų | 118 | 81.8 Ų | 81.8 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 15.8 | 174.4 | -60.6 | -26.4 | 0 | 0 | 0 | 113.3 | R319 | R319-N323 WeakPolarHBondContact O-CB 3.39Å; R319-N323 VanDerWaalsContact O-CG 3.27Å; R319-N323 PolarHBondContact O-N 3.38Å; R319-N323 VanDerWaalsContact O-N 3.12Å; R319-N323 PolarHBondContact O-ND2 3.05Å |
| 324 | R | 56.8 | Low | 89.7 | Confident | 260 Ų | 260 | 83.5 Ų | 83.5 | 98% | 0.981 | 37% | 0.372 | S | S | * | . | trans | -94 | 0 | 168.6 | -77.3 | 173.8 | -178.9 | -164.8 | -1.4 | 109.7 | K320 L322 | K320-R324 VanDerWaalsContact O-CD 3.23Å; K320-R324 WeakPolarHBondContact O-CD 3.18Å; K320-R324 VanDerWaalsContact O-CG 3.26Å; K320-R324 WeakPolarHBondContact O-CG 3.34Å; K320-R324 PolarHBondContact O-NE 3.21Å; L322-R324 VanDerWaalsContact C-N 3.35Å |
Retrieved 324 of 324 residues in 2092 ms
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