| 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 | 31.2 | Very low | 73.3 | Confident | 229 Ų | 229 | 80.4 Ų | 80.4 | 100% | 1.128 | 47% | 0.472 | S | S | * | . | 0 | 130.2 | 0 | -65 | -64.4 | -168.4 | 0 | 0 | 106.4 | S3 | M1-S3 PolarHBondContact O-N 2.8Š| |||
| 2 | P | 39.9 | Very low | 75.2 | Confident | 116 Ų | 116 | 78 Ų | 78 | 75% | 0.753 | 46% | 0.461 | S | S | * | . | trans | -52.9 | 143 | 166.5 | -10.4 | 25.1 | 0 | 0 | 0 | 107.2 | S4 | P2-S4 PolarHBondContact O-N 3.31Š| ||
| 3 | S | 47.8 | Very low | 76.7 | Confident | 51 Ų | 51 | 81.8 Ų | 81.8 | 36% | 0.357 | 48% | 0.478 | S | S | . | . | trans | -47 | 123.7 | 167.6 | 55.5 | 0 | 0 | 0 | 0 | 107 | M1 D5 | M1-S3 PolarHBondContact O-N 2.8Å; S3-D5 PolarHBondContact O-N 2.81Å | ||
| 4 | S | 56.9 | Low | 78.2 | Confident | 24 Ų | 24 | 78.3 Ų | 78.3 | 17% | 0.168 | 46% | 0.456 | C | S | . | . | trans | -40.1 | 116.4 | 172 | 56.8 | 0 | 0 | 0 | 0 | 107.6 | P2 Y6 L355 E358 | P2-S4 PolarHBondContact O-N 3.31Å; S4-Y6 PolarHBondContact O-N 3.47Å; S4-L355 PolarHBondContact OG-N 2.69Å; S4-E358 WeakPolarHBondContact CB-OE1 3.3Å | ||
| 5 | D | 72.1 | Confident | 79.5 | Confident | 156 Ų | 156 | 73.1 Ų | 73.1 | 83% | 0.834 | 43% | 0.425 | S | S | * | . | trans | -55.3 | 113.3 | -176.4 | -82.8 | -31.3 | 0 | 0 | 0 | 107.6 | S3 D7 | S3-D5 PolarHBondContact O-N 2.81Å; D5-D7 PolarHBondContact O-N 2.97Å | ||
| 6 | Y | 90.3 | Very high | 80.6 | Confident | 32 Ų | 32 | 71.7 Ų | 71.7 | 13% | 0.125 | 42% | 0.419 | C | S | . | . | trans | -76.3 | 119.3 | -176.7 | 165.9 | -97.7 | 0 | 0 | 0 | 108.8 | S4 P8 L11 P328 G331 I353 | S4-Y6 PolarHBondContact O-N 3.47Å; Y6-P8 HydrophobicContact CD1-CG 4.33Å; Y6-P8 HydrophobicContact CE1-CB 4.14Å; Y6-P8 HydrophobicContact CE1-CG 3.8Å; Y6-L11 HydrophobicContact CE2-CD1 4.32Å; Y6-L11 WeakPolarHBondContact OH-CB 2.92Å; Y6-L11 WeakPolarHBondContact OH-CD1 3.37Å; Y6-L11 WeakPolarHBondContact OH-CD2 3.41Å; Y6-P328 VanDerWaalsContact CE1-O 3.27Å; Y6-P328 WeakPolarHBondContact CE1-O 3.43Å; Y6-P328 PolarHBondContact OH-O 2.92Å; Y6-G331 VanDerWaalsContact CD1-N 3.26Å; Y6-G331 VanDerWaalsContact CE2-CA 3.45Å; Y6-I353 HydrophobicContact CD2-CG2 4Å; Y6-I353 HydrophobicContact CE2-CG2 3.65Å | ||
| 7 | D | 92.9 | Very high | 81.6 | Confident | 86 Ų | 86 | 70 Ų | 70 | 46% | 0.46 | 41% | 0.408 | S | S | . | . | trans | -94.5 | 117 | 168.8 | -175.8 | -3.9 | 0 | 0 | 0 | 110 | D5 A9 C10 | D5-D7 PolarHBondContact O-N 2.97Å; D7-A9 PolarHBondContact O-N 3.19Å; D7-A9 VanDerWaalsContact O-N 3.09Å; D7-A9 VanDerWaalsContact OD1-CB 3.31Å; D7-A9 WeakPolarHBondContact OD1-CB 3.4Å; D7-A9 PolarHBondContact OD1-N 3.27Å; D7-C10 PolarHBondContact O-N 2.83Å | ||
| 8 | P | 93.3 | Very high | 82.5 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -53.8 | -25.4 | 173.3 | -24.3 | 32.9 | 0 | 0 | 0 | 114.6 | Y6 C10 L11 | Y6-P8 HydrophobicContact CD1-CG 4.33Å; Y6-P8 HydrophobicContact CE1-CB 4.14Å; Y6-P8 HydrophobicContact CE1-CG 3.8Å; P8-C10 VanDerWaalsContact C-N 3.26Å; P8-C10 PolarHBondContact O-N 2.98Å; P8-L11 VanDerWaalsContact O-CB 3.29Å; P8-L11 WeakPolarHBondContact O-CB 3.3Å; P8-L11 PolarHBondContact O-N 2.96Å |
| 9 | A | 93.4 | Very high | 83.3 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 56% | 0.562 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -66.9 | -26.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | D7 L11 P12 | D7-A9 PolarHBondContact O-N 3.19Å; D7-A9 VanDerWaalsContact O-N 3.09Å; D7-A9 VanDerWaalsContact OD1-CB 3.31Å; D7-A9 WeakPolarHBondContact OD1-CB 3.4Å; D7-A9 PolarHBondContact OD1-N 3.27Å; A9-L11 VanDerWaalsContact C-N 3.34Å; A9-P12 WeakPolarHBondContact O-CD 3.36Å |
| 10 | C | 93.4 | Very high | 83.9 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 36% | 0.358 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -82.3 | -10.9 | 177.8 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | D7 P8 D13 L14 | D7-C10 PolarHBondContact O-N 2.83Å; P8-C10 VanDerWaalsContact C-N 3.26Å; P8-C10 PolarHBondContact O-N 2.98Å; C10-D13 PolarHBondContact O-N 2.72Å; C10-D13 VanDerWaalsContact O-N 3.08Å; C10-L14 HydrophobicContact CB-CD1 4.08Å; C10-L14 HydrophobicContact CB-CG 4.46Å; C10-L14 WeakPolarHBondContact O-CG 3.47Å; C10-L14 PolarHBondContact O-N 3.26Å; C10-L14 VanDerWaalsContact O-N 3.13Å |
| 11 | L | 95 | Very high | 84.5 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.1 | -43 | -177.4 | -171.4 | 61.6 | 0 | 0 | 0 | 114.6 | Y6 P8 A9 D13 L14 L15 Y80 V326 P328 I353 | Y6-L11 HydrophobicContact CE2-CD1 4.32Å; Y6-L11 WeakPolarHBondContact OH-CB 2.92Å; Y6-L11 WeakPolarHBondContact OH-CD1 3.37Å; Y6-L11 WeakPolarHBondContact OH-CD2 3.41Å; P8-L11 VanDerWaalsContact O-CB 3.29Å; P8-L11 WeakPolarHBondContact O-CB 3.3Å; P8-L11 PolarHBondContact O-N 2.96Å; A9-L11 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.3Å; L11-L14 PolarHBondContact O-N 3.08Å; L11-L15 HydrophobicContact CD1-CD1 4.14Å; L11-L15 HydrophobicContact CD1-CD2 3.89Å; L11-L15 HydrophobicContact CD1-CG 3.72Å; L11-L15 HydrophobicContact CD2-CD1 4.32Å; L11-L15 HydrophobicContact CG-CD1 3.78Å; L11-L15 HydrophobicContact CG-CD2 4.46Å; L11-L15 HydrophobicContact CG-CG 3.89Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.22Å; L11-Y80 HydrophobicContact CD2-CD1 3.43Å; L11-Y80 VanDerWaalsContact CD2-CD1 3.43Å; L11-Y80 HydrophobicContact CD2-CE1 3.75Å; L11-Y80 HydrophobicContact CD2-CG 4.28Å; L11-Y80 HydrophobicContact CG-CD1 4.32Å; L11-Y80 HydrophobicContact CG-CE1 4.31Å; L11-V326 HydrophobicContact CD1-CG1 3.83Å; L11-P328 HydrophobicContact CD2-CB 3.93Å; L11-I353 HydrophobicContact CD1-CD1 4.09Å; L11-I353 HydrophobicContact CD1-CG2 4.15Å |
| 12 | P | 95.8 | Very high | 87.6 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -31 | 178.1 | -11 | 20.7 | 0 | 0 | 0 | 113.3 | A9 P16 Y80 | A9-P12 WeakPolarHBondContact O-CD 3.36Å; P12-P16 WeakPolarHBondContact O-CD 3.38Å; P12-P16 WeakPolarHBondContact O-CG 3.28Å; P12-Y80 WeakPolarHBondContact CG-OH 3.43Å |
| 13 | D | 95.3 | Very high | 90.4 | Very high | 128 Ų | 128 | 51.3 Ų | 51.3 | 68% | 0.684 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -83.4 | -30.6 | -179 | -59.8 | -37.5 | 0 | 0 | 0 | 111.7 | C10 L11 | C10-D13 PolarHBondContact O-N 2.72Å; C10-D13 VanDerWaalsContact O-N 3.08Å; L11-D13 PolarHBondContact O-N 3.3Å |
| 14 | L | 97.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 49 Ų | 49 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -82.5 | -35.2 | -179 | -63.6 | 174 | 0 | 0 | 0 | 113.1 | C10 L11 L17 Y18 I353 S354 C357 | C10-L14 HydrophobicContact CB-CD1 4.08Å; C10-L14 HydrophobicContact CB-CG 4.46Å; C10-L14 WeakPolarHBondContact O-CG 3.47Å; C10-L14 PolarHBondContact O-N 3.26Å; C10-L14 VanDerWaalsContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.08Å; L14-L17 PolarHBondContact O-N 3.29Å; L14-Y18 PolarHBondContact O-N 3.23Å; L14-I353 HydrophobicContact CB-CD1 3.59Å; L14-I353 HydrophobicContact CB-CG1 3.95Å; L14-I353 HydrophobicContact CB-CG2 4.49Å; L14-I353 HydrophobicContact CD1-CG2 3.99Å; L14-S354 WeakPolarHBondContact CD1-OG 3.42Å; L14-C357 HydrophobicContact CD2-CB 4.02Å |
| 15 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.2 | -44.5 | -178.5 | -74.8 | 171.8 | 0 | 0 | 0 | 113.7 | L11 L17 Y18 Y19 N78 Y80 V326 I353 | L11-L15 HydrophobicContact CD1-CD1 4.14Å; L11-L15 HydrophobicContact CD1-CD2 3.89Å; L11-L15 HydrophobicContact CD1-CG 3.72Å; L11-L15 HydrophobicContact CD2-CD1 4.32Å; L11-L15 HydrophobicContact CG-CD1 3.78Å; L11-L15 HydrophobicContact CG-CD2 4.46Å; L11-L15 HydrophobicContact CG-CG 3.89Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.22Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.15Å; L15-Y18 PolarHBondContact O-N 3.4Å; L15-Y19 HydrophobicContact CB-CD2 4.24Å; L15-Y19 HydrophobicContact CB-CE2 4.07Å; L15-Y19 HydrophobicContact CD2-CD2 4.5Å; L15-Y19 HydrophobicContact CD2-CE2 3.68Å; L15-Y19 HydrophobicContact CG-CE2 4.33Å; L15-Y19 VanDerWaalsContact O-CD2 3.27Å; L15-Y19 WeakPolarHBondContact O-CD2 3.29Å; L15-Y19 PolarHBondContact O-N 3.24Å; L15-N78 HydrophobicContact CB-CB 4.23Å; L15-Y80 HydrophobicContact CD1-CD2 4.09Å; L15-Y80 HydrophobicContact CD1-CE2 4.34Å; L15-Y80 HydrophobicContact CD1-CG 4.24Å; L15-V326 HydrophobicContact CD2-CB 4.29Å; L15-V326 HydrophobicContact CD2-CG2 4.01Å; L15-I353 HydrophobicContact CD2-CD1 4.02Å; L15-I353 HydrophobicContact CG-CD1 4.39Å |
| 16 | P | 97.8 | Very high | 95.8 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57 | -41.5 | 175.9 | -26 | 33.8 | 0 | 0 | 0 | 113 | P12 R20 N78 | P12-P16 WeakPolarHBondContact O-CD 3.38Å; P12-P16 WeakPolarHBondContact O-CG 3.28Å; P16-R20 WeakPolarHBondContact O-CB 3.16Å; P16-R20 PolarHBondContact O-N 2.85Å; P16-N78 WeakPolarHBondContact CA-OD1 3.4Å |
| 17 | L | 96.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.8 | -44.5 | 177.6 | -178.3 | 58.6 | 0 | 0 | 0 | 111 | L14 L15 R20 R21 C357 L360 | L14-L17 PolarHBondContact O-N 3.29Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.15Å; L17-R20 PolarHBondContact O-N 3.43Å; L17-R21 HydrophobicContact CD1-CG 4.17Å; L17-R21 PolarHBondContact O-N 3.09Å; L17-C357 HydrophobicContact CD2-CB 3.93Å; L17-L360 HydrophobicContact CD1-CD2 4.13Å; L17-L360 HydrophobicContact CG-CD2 4.38Å |
| 18 | Y | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.5 | -52.8 | 178.6 | 178.8 | -109.9 | 0 | 0 | 0 | 112.3 | L14 L15 R20 R21 L22 F23 F324 V326 I333 I353 I356 L398 | L14-Y18 PolarHBondContact O-N 3.23Å; L15-Y18 PolarHBondContact O-N 3.4Å; Y18-R20 PolarHBondContact O-N 3.38Å; Y18-R21 PolarHBondContact O-N 3.14Å; Y18-L22 HydrophobicContact CD2-CB 3.62Å; Y18-L22 HydrophobicContact CD2-CD1 4.11Å; Y18-L22 HydrophobicContact CE2-CB 3.94Å; Y18-L22 WeakPolarHBondContact O-CA 3.33Å; Y18-L22 PolarHBondContact O-N 3.24Å; Y18-F23 HydrophobicContact CE1-CB 4.2Å; Y18-F23 AromaticContact CE1-CD2 3.76Å; Y18-F23 HydrophobicContact CE1-CD2 3.76Å; Y18-F23 HydrophobicContact CE1-CG 4.48Å; Y18-F23 PolarHBondContact O-N 3.45Å; Y18-F324 PolarHBondContact OH-O 3.15Å; Y18-V326 HydrophobicContact CD1-CG2 3.74Å; Y18-V326 HydrophobicContact CE1-CG2 3.64Å; Y18-V326 HydrophobicContact CG-CG2 4.36Å; Y18-I333 HydrophobicContact CE2-CD1 3.96Å; Y18-I353 HydrophobicContact CD2-CG1 4.45Å; Y18-I353 HydrophobicContact CG-CD1 4.17Å; Y18-I353 HydrophobicContact CG-CG1 4.32Å; Y18-I356 HydrophobicContact CD2-CD1 3.76Å; Y18-I356 HydrophobicContact CE2-CD1 3.69Å; Y18-L398 HydrophobicContact CE2-CD2 4.19Å |
| 19 | Y | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.4 | -17.4 | 178.3 | -64.1 | -50.7 | 0 | 0 | 0 | 113.4 | L15 F23 F25 M74 Q75 N78 P79 I82 | L15-Y19 HydrophobicContact CB-CD2 4.24Å; L15-Y19 HydrophobicContact CB-CE2 4.07Å; L15-Y19 HydrophobicContact CD2-CD2 4.5Å; L15-Y19 HydrophobicContact CD2-CE2 3.68Å; L15-Y19 HydrophobicContact CG-CE2 4.33Å; L15-Y19 VanDerWaalsContact O-CD2 3.27Å; L15-Y19 WeakPolarHBondContact O-CD2 3.29Å; L15-Y19 PolarHBondContact O-N 3.24Å; Y19-F23 HydrophobicContact CD1-CB 4.09Å; Y19-F23 HydrophobicContact CD1-CD2 4.13Å; Y19-F23 HydrophobicContact CD1-CG 4.21Å; Y19-F23 HydrophobicContact CE1-CD2 4.07Å; Y19-F25 WeakPolarHBondContact O-CE2 3.4Å; Y19-M74 HydrophobicContact CD1-CE 3.44Å; Y19-M74 VanDerWaalsContact CD1-CE 3.44Å; Y19-M74 HydrophobicContact CE1-CE 3.41Å; Y19-M74 VanDerWaalsContact CE1-CE 3.41Å; Y19-M74 HydrophobicContact CG-CE 4.35Å; Y19-Q75 WeakPolarHBondContact O-CG 3.47Å; Y19-Q75 PolarHBondContact O-NE2 2.87Å; Y19-N78 HydrophobicContact CD2-CB 4.46Å; Y19-P79 HydrophobicContact CE2-CG 4.05Å; Y19-P79 WeakPolarHBondContact CE2-O 3.25Å; Y19-P79 PolarHBondContact OH-O 2.91Å; Y19-I82 HydrophobicContact CE1-CD1 3.89Å |
| 20 | R | 95.6 | Very high | 96.6 | Very high | 164 Ų | 164 | 37.9 Ų | 37.9 | 62% | 0.619 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -84.5 | -35.4 | 175.6 | -173.8 | 174.2 | 179.9 | 165.2 | 1.2 | 113.3 | P16 L17 Y18 K389 | P16-R20 WeakPolarHBondContact O-CB 3.16Å; P16-R20 PolarHBondContact O-N 2.85Å; L17-R20 PolarHBondContact O-N 3.43Å; Y18-R20 PolarHBondContact O-N 3.38Å; R20-K389 WeakPolarHBondContact O-CE 3.16Å |
| 21 | R | 95.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 35.4 Ų | 35.4 | 22% | 0.219 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -127.4 | -21 | -166.2 | -63.4 | -172.9 | 69.5 | -166.7 | -0.5 | 115.7 | L17 Y18 L360 D392 | L17-R21 HydrophobicContact CD1-CG 4.17Å; L17-R21 PolarHBondContact O-N 3.09Å; Y18-R21 PolarHBondContact O-N 3.14Å; R21-L360 HydrophobicContact CB-CD2 3.87Å; R21-L360 HydrophobicContact CG-CD2 4.49Å; R21-D392 IonicContact CZ-OD1 3.08Å; R21-D392 IonicContact CZ-OD2 3.85Å; R21-D392 IonicContact NE-OD2 2.75Å; R21-D392 PolarHBondContact NE-OD2 3.13Å; R21-D392 IonicContact NH2-OD1 2.81Å; R21-D392 PolarHBondContact NH2-OD1 3.11Å; R21-D392 IonicContact NH2-OD2 3.48Å; R21-D392 PolarHBondContact NH2-OD2 3.35Å |
| 22 | L | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | -33.7 | -167.4 | -63.8 | 175.5 | 0 | 0 | 0 | 114 | Y18 I356 L360 T396 L398 | Y18-L22 HydrophobicContact CD2-CB 3.62Å; Y18-L22 HydrophobicContact CD2-CD1 4.11Å; Y18-L22 HydrophobicContact CE2-CB 3.94Å; Y18-L22 WeakPolarHBondContact O-CA 3.33Å; Y18-L22 PolarHBondContact O-N 3.24Å; L22-I356 HydrophobicContact CD1-CB 4.14Å; L22-I356 HydrophobicContact CD1-CD1 3.96Å; L22-I356 HydrophobicContact CD1-CG1 3.79Å; L22-L360 HydrophobicContact CD1-CD2 4.32Å; L22-L360 HydrophobicContact CD2-CD1 4.35Å; L22-L360 HydrophobicContact CD2-CD2 4.04Å; L22-L360 HydrophobicContact CG-CD2 4.12Å; L22-T396 HydrophobicContact CD2-CG2 3.87Å; L22-L398 HydrophobicContact CB-CD2 4.42Å |
| 23 | F | 98.1 | Very high | 96.9 | Very high | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.044 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -62.3 | 129 | 179.4 | -171.8 | -86.1 | 0 | 0 | 0 | 111 | Y18 Y19 F25 Y28 M74 F324 | Y18-F23 HydrophobicContact CE1-CB 4.2Å; Y18-F23 AromaticContact CE1-CD2 3.76Å; Y18-F23 HydrophobicContact CE1-CD2 3.76Å; Y18-F23 HydrophobicContact CE1-CG 4.48Å; Y18-F23 PolarHBondContact O-N 3.45Å; Y19-F23 HydrophobicContact CD1-CB 4.09Å; Y19-F23 HydrophobicContact CD1-CD2 4.13Å; Y19-F23 HydrophobicContact CD1-CG 4.21Å; Y19-F23 HydrophobicContact CE1-CD2 4.07Å; F23-F25 VanDerWaalsContact C-N 3.3Å; F23-F25 HydrophobicContact CB-CD2 4.25Å; F23-F25 HydrophobicContact CB-CE2 3.78Å; F23-F25 HydrophobicContact CB-CZ 4.28Å; F23-F25 AromaticContact CD1-CD1 3.81Å; F23-F25 HydrophobicContact CD1-CD1 3.81Å; F23-F25 AromaticContact CD1-CD2 3.74Å; F23-F25 HydrophobicContact CD1-CD2 3.74Å; F23-F25 AromaticContact CD1-CE1 3.73Å; F23-F25 HydrophobicContact CD1-CE1 3.73Å; F23-F25 AromaticContact CD1-CE2 3.64Å; F23-F25 HydrophobicContact CD1-CE2 3.64Å; F23-F25 AromaticContact CD1-CG 3.81Å; F23-F25 HydrophobicContact CD1-CG 3.81Å; F23-F25 AromaticContact CD1-CZ 3.66Å; F23-F25 HydrophobicContact CD1-CZ 3.66Å; F23-F25 HydrophobicContact CE1-CD1 4.03Å; F23-F25 HydrophobicContact CE1-CE1 4.03Å; F23-F25 HydrophobicContact CE1-CG 4.37Å; F23-F25 HydrophobicContact CE1-CZ 4.37Å; F23-F25 HydrophobicContact CG-CD2 4.47Å; F23-F25 HydrophobicContact CG-CE2 4.08Å; F23-F25 HydrophobicContact CG-CZ 4.2Å; F23-F25 WeakPolarHBondContact O-CD2 3.13Å; F23-F25 PolarHBondContact O-N 2.94Å; F23-Y28 AromaticContact CE1-CD1 3.98Å; F23-Y28 HydrophobicContact CE1-CD1 3.98Å; F23-Y28 HydrophobicContact CE1-CD2 4.28Å; F23-Y28 AromaticContact CE1-CG 3.84Å; F23-Y28 HydrophobicContact CE1-CG 3.84Å; F23-Y28 HydrophobicContact CZ-CD1 4.13Å; F23-Y28 AromaticContact CZ-CD2 3.91Å; F23-Y28 HydrophobicContact CZ-CD2 3.91Å; F23-Y28 HydrophobicContact CZ-CE1 4.28Å; F23-Y28 HydrophobicContact CZ-CE2 4.08Å; F23-Y28 AromaticContact CZ-CG 3.92Å; F23-Y28 HydrophobicContact CZ-CG 3.92Å; F23-M74 HydrophobicContact CD1-CE 4.19Å; F23-M74 HydrophobicContact CD2-CE 4.2Å; F23-M74 HydrophobicContact CE1-CE 4.07Å; F23-M74 HydrophobicContact CE2-CE 4.07Å; F23-M74 HydrophobicContact CG-CE 4.26Å; F23-M74 HydrophobicContact CZ-CE 4.01Å; F23-F324 HydrophobicContact CD2-CB 4.11Å; F23-F324 HydrophobicContact CE2-CB 3.77Å; F23-F324 HydrophobicContact CZ-CB 4.45Å |
| 24 | P | 97.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | trans | -82.4 | 66.3 | -171.2 | 34.3 | -37.3 | 0 | 0 | 0 | 112.4 | A26 Q27 Y28 F324 V402 | P24-A26 VanDerWaalsContact C-N 3.3Å; P24-A26 PolarHBondContact O-N 3.38Å; P24-Q27 HydrophobicContact CB-CB 4.35Å; P24-Q27 PolarHBondContact O-N 3.33Å; P24-Y28 VanDerWaalsContact O-CB 3.23Å; P24-Y28 WeakPolarHBondContact O-CB 3.36Å; P24-Y28 PolarHBondContact O-N 3.19Å; P24-F324 HydrophobicContact CG-CB 4.25Å; P24-F324 HydrophobicContact CG-CD1 3.85Å; P24-F324 HydrophobicContact CG-CD2 3.69Å; P24-F324 HydrophobicContact CG-CE1 4.07Å; P24-F324 HydrophobicContact CG-CE2 3.93Å; P24-F324 HydrophobicContact CG-CG 3.65Å; P24-F324 HydrophobicContact CG-CZ 4.1Å; P24-V402 HydrophobicContact CB-CG1 4.23Å; P24-V402 HydrophobicContact CB-CG2 4.21Å; P24-V402 HydrophobicContact CG-CG2 4.41Å | ||
| 25 | F | 97.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.7 | -40.9 | -175.6 | -75.7 | -79.3 | 0 | 0 | 0 | 114 | Y19 F23 Y28 Y29 Q67 L70 E71 M74 | Y19-F25 WeakPolarHBondContact O-CE2 3.4Å; F23-F25 VanDerWaalsContact C-N 3.3Å; F23-F25 HydrophobicContact CB-CD2 4.25Å; F23-F25 HydrophobicContact CB-CE2 3.78Å; F23-F25 HydrophobicContact CB-CZ 4.28Å; F23-F25 AromaticContact CD1-CD1 3.81Å; F23-F25 HydrophobicContact CD1-CD1 3.81Å; F23-F25 AromaticContact CD1-CD2 3.74Å; F23-F25 HydrophobicContact CD1-CD2 3.74Å; F23-F25 AromaticContact CD1-CE1 3.73Å; F23-F25 HydrophobicContact CD1-CE1 3.73Å; F23-F25 AromaticContact CD1-CE2 3.64Å; F23-F25 HydrophobicContact CD1-CE2 3.64Å; F23-F25 AromaticContact CD1-CG 3.81Å; F23-F25 HydrophobicContact CD1-CG 3.81Å; F23-F25 AromaticContact CD1-CZ 3.66Å; F23-F25 HydrophobicContact CD1-CZ 3.66Å; F23-F25 HydrophobicContact CE1-CD1 4.03Å; F23-F25 HydrophobicContact CE1-CE1 4.03Å; F23-F25 HydrophobicContact CE1-CG 4.37Å; F23-F25 HydrophobicContact CE1-CZ 4.37Å; F23-F25 HydrophobicContact CG-CD2 4.47Å; F23-F25 HydrophobicContact CG-CE2 4.08Å; F23-F25 HydrophobicContact CG-CZ 4.2Å; F23-F25 WeakPolarHBondContact O-CD2 3.13Å; F23-F25 PolarHBondContact O-N 2.94Å; F25-Y28 PolarHBondContact O-N 3.03Å; F25-Y29 VanDerWaalsContact O-CB 3.28Å; F25-Y29 WeakPolarHBondContact O-CB 3.38Å; F25-Y29 PolarHBondContact O-N 3.33Å; F25-Q67 HydrophobicContact CB-CG 4.22Å; F25-L70 HydrophobicContact CD1-CD2 4.19Å; F25-L70 HydrophobicContact CD1-CG 4.29Å; F25-L70 HydrophobicContact CE1-CD2 4.45Å; F25-L70 HydrophobicContact CE1-CG 4.18Å; F25-E71 HydrophobicContact CD1-CB 3.89Å; F25-E71 HydrophobicContact CD1-CG 4.33Å; F25-E71 HydrophobicContact CD2-CB 4.42Å; F25-E71 HydrophobicContact CD2-CG 3.99Å; F25-E71 VanDerWaalsContact CE1-CA 3.49Å; F25-E71 HydrophobicContact CE1-CB 3.95Å; F25-E71 HydrophobicContact CE1-CG 4.26Å; F25-E71 HydrophobicContact CE2-CB 4.48Å; F25-E71 HydrophobicContact CE2-CG 3.93Å; F25-E71 HydrophobicContact CG-CB 4.13Å; F25-E71 HydrophobicContact CG-CG 4.19Å; F25-E71 HydrophobicContact CZ-CB 4.26Å; F25-E71 HydrophobicContact CZ-CG 4.07Å; F25-M74 HydrophobicContact CE1-CB 4.18Å; F25-M74 HydrophobicContact CE1-CE 3.92Å; F25-M74 HydrophobicContact CE1-CG 4.38Å; F25-M74 HydrophobicContact CE1-SD 3.56Å; F25-M74 VanDerWaalsContact CE1-SD 3.56Å; F25-M74 HydrophobicContact CZ-CB 4.05Å; F25-M74 HydrophobicContact CZ-CE 3.88Å; F25-M74 HydrophobicContact CZ-SD 4.08Å |
| 26 | A | 95.3 | Very high | 95.3 | Very high | 25 Ų | 25 | 28.5 Ų | 28.5 | 21% | 0.207 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P24 R30 | P24-A26 VanDerWaalsContact C-N 3.3Å; P24-A26 PolarHBondContact O-N 3.38Å; A26-R30 WeakPolarHBondContact O-CB 3.49Å; A26-R30 WeakPolarHBondContact O-CD 3.31Å; A26-R30 WeakPolarHBondContact O-CG 3.45Å; A26-R30 PolarHBondContact O-N 2.91Å |
| 27 | Q | 96.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.6 | -66.7 | 84.7 | -10.7 | 0 | 0 | 111.4 | P24 Y29 R30 W31 Y393 V402 F405 D406 L409 | P24-Q27 HydrophobicContact CB-CB 4.35Å; P24-Q27 PolarHBondContact O-N 3.33Å; Q27-Y29 PolarHBondContact O-N 2.7Å; Q27-R30 WeakPolarHBondContact O-CB 3.48Å; Q27-R30 PolarHBondContact O-N 3.43Å; Q27-W31 PolarHBondContact O-N 2.72Å; Q27-Y393 PolarHBondContact NE2-OH 3.39Å; Q27-V402 HydrophobicContact CG-CG1 4.22Å; Q27-F405 HydrophobicContact CB-CD1 3.5Å; Q27-F405 VanDerWaalsContact CB-CD1 3.5Å; Q27-F405 HydrophobicContact CB-CE1 3.58Å; Q27-F405 HydrophobicContact CG-CD1 4.33Å; Q27-D406 WeakPolarHBondContact CG-OD1 3.44Å; Q27-D406 PolarHBondContact NE2-OD2 3.36Å; Q27-L409 HydrophobicContact CB-CD1 3.72Å; Q27-L409 HydrophobicContact CG-CD1 4.19Å; Q27-L409 WeakPolarHBondContact O-CD1 3.39Å |
| 28 | Y | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | -178.3 | -168.8 | -100.9 | 0 | 0 | 0 | 112.4 | F23 P24 F25 W31 L32 F49 L70 I84 S322 | F23-Y28 AromaticContact CE1-CD1 3.98Å; F23-Y28 HydrophobicContact CE1-CD1 3.98Å; F23-Y28 HydrophobicContact CE1-CD2 4.28Å; F23-Y28 AromaticContact CE1-CG 3.84Å; F23-Y28 HydrophobicContact CE1-CG 3.84Å; F23-Y28 HydrophobicContact CZ-CD1 4.13Å; F23-Y28 AromaticContact CZ-CD2 3.91Å; F23-Y28 HydrophobicContact CZ-CD2 3.91Å; F23-Y28 HydrophobicContact CZ-CE1 4.28Å; F23-Y28 HydrophobicContact CZ-CE2 4.08Å; F23-Y28 AromaticContact CZ-CG 3.92Å; F23-Y28 HydrophobicContact CZ-CG 3.92Å; P24-Y28 VanDerWaalsContact O-CB 3.23Å; P24-Y28 WeakPolarHBondContact O-CB 3.36Å; P24-Y28 PolarHBondContact O-N 3.19Å; F25-Y28 PolarHBondContact O-N 3.03Å; Y28-W31 HydrophobicContact CD2-CE3 4.09Å; Y28-W31 HydrophobicContact CD2-CZ3 4.31Å; Y28-W31 HydrophobicContact CE2-CE3 4.11Å; Y28-W31 AromaticContact CE2-CZ3 3.89Å; Y28-W31 HydrophobicContact CE2-CZ3 3.89Å; Y28-W31 WeakPolarHBondContact O-CB 3.33Å; Y28-L32 HydrophobicContact CD1-CD1 4.06Å; Y28-L32 HydrophobicContact CE1-CD1 3.54Å; Y28-L32 HydrophobicContact CE2-CD1 4.34Å; Y28-L32 PolarHBondContact O-N 3.37Å; Y28-F49 AromaticContact CE1-CE1 3.87Å; Y28-F49 HydrophobicContact CE1-CE1 3.87Å; Y28-F49 HydrophobicContact CE1-CZ 4.44Å; Y28-L70 HydrophobicContact CD1-CD2 3.92Å; Y28-L70 HydrophobicContact CE1-CD2 4.12Å; Y28-I84 HydrophobicContact CE2-CD1 4.14Å; Y28-I84 WeakPolarHBondContact OH-CD1 3.14Å; Y28-I84 VanDerWaalsContact OH-CG1 3.3Å; Y28-I84 WeakPolarHBondContact OH-CG1 3.48Å; Y28-S322 WeakPolarHBondContact CE2-OG 3.39Å; Y28-S322 VanDerWaalsContact CZ-OG 3.29Å; Y28-S322 PolarHBondContact OH-OG 2.88Å |
| 29 | Y | 97.3 | Very high | 91 | Very high | 42 Ų | 42 | 34 Ų | 34 | 17% | 0.165 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.5 | -45.2 | 172.7 | -177.8 | -102.6 | 0 | 0 | 0 | 111.5 | F25 Q27 W31 L32 N33 F44 Q67 | F25-Y29 VanDerWaalsContact O-CB 3.28Å; F25-Y29 WeakPolarHBondContact O-CB 3.38Å; F25-Y29 PolarHBondContact O-N 3.33Å; Q27-Y29 PolarHBondContact O-N 2.7Å; Y29-W31 PolarHBondContact O-N 2.7Å; Y29-L32 PolarHBondContact O-N 3.42Å; Y29-N33 HydrophobicContact CD1-CB 4.39Å; Y29-N33 HydrophobicContact CE1-CB 4.13Å; Y29-N33 HydrophobicContact CE2-CB 4.45Å; Y29-N33 WeakPolarHBondContact O-CB 3.24Å; Y29-N33 PolarHBondContact O-N 2.96Å; Y29-F44 HydrophobicContact CD2-CD1 4.06Å; Y29-F44 AromaticContact CD2-CD2 3.81Å; Y29-F44 HydrophobicContact CD2-CD2 3.81Å; Y29-F44 AromaticContact CD2-CE1 3.82Å; Y29-F44 HydrophobicContact CD2-CE1 3.82Å; Y29-F44 AromaticContact CD2-CE2 3.59Å; Y29-F44 HydrophobicContact CD2-CE2 3.59Å; Y29-F44 HydrophobicContact CD2-CG 4.03Å; Y29-F44 AromaticContact CD2-CZ 3.6Å; Y29-F44 HydrophobicContact CD2-CZ 3.6Å; Y29-F44 HydrophobicContact CE2-CB 4.29Å; Y29-F44 AromaticContact CE2-CD1 3.45Å; Y29-F44 HydrophobicContact CE2-CD1 3.45Å; Y29-F44 VanDerWaalsContact CE2-CD1 3.45Å; Y29-F44 AromaticContact CE2-CD2 3.86Å; Y29-F44 HydrophobicContact CE2-CD2 3.86Å; Y29-F44 AromaticContact CE2-CE1 3.57Å; Y29-F44 HydrophobicContact CE2-CE1 3.57Å; Y29-F44 HydrophobicContact CE2-CE2 4Å; Y29-F44 AromaticContact CE2-CG 3.58Å; Y29-F44 HydrophobicContact CE2-CG 3.58Å; Y29-F44 AromaticContact CE2-CZ 3.86Å; Y29-F44 HydrophobicContact CE2-CZ 3.86Å; Y29-Q67 HydrophobicContact CD1-CB 4.03Å; Y29-Q67 HydrophobicContact CD2-CB 3.88Å; Y29-Q67 HydrophobicContact CE2-CB 4.38Å; Y29-Q67 HydrophobicContact CG-CB 3.69Å; Y29-Q67 HydrophobicContact CG-CG 4.31Å |
| 30 | R | 95.1 | Very high | 90.1 | Very high | 110 Ų | 110 | 36.9 Ų | 36.9 | 42% | 0.415 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54.1 | -41.1 | 175.3 | -78.5 | 168.4 | 61.3 | -145.6 | -4.3 | 112.2 | A26 Q27 D406 L409 | A26-R30 WeakPolarHBondContact O-CB 3.49Å; A26-R30 WeakPolarHBondContact O-CD 3.31Å; A26-R30 WeakPolarHBondContact O-CG 3.45Å; A26-R30 PolarHBondContact O-N 2.91Å; Q27-R30 WeakPolarHBondContact O-CB 3.48Å; Q27-R30 PolarHBondContact O-N 3.43Å; R30-D406 IonicContact CZ-OD1 2.65Å; R30-D406 IonicContact NH1-OD1 2.9Å; R30-D406 PolarHBondContact NH1-OD1 3.03Å; R30-L409 HydrophobicContact CB-CD1 4.3Å |
| 31 | W | 97.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -60.4 | 175.4 | 179.3 | 33.5 | 0 | 0 | 0 | 112.2 | Q27 Y28 Y29 N33 Y34 I84 L161 W173 C175 P323 F405 F408 L409 | Q27-W31 PolarHBondContact O-N 2.72Å; Y28-W31 HydrophobicContact CD2-CE3 4.09Å; Y28-W31 HydrophobicContact CD2-CZ3 4.31Å; Y28-W31 HydrophobicContact CE2-CE3 4.11Å; Y28-W31 AromaticContact CE2-CZ3 3.89Å; Y28-W31 HydrophobicContact CE2-CZ3 3.89Å; Y28-W31 WeakPolarHBondContact O-CB 3.33Å; Y29-W31 PolarHBondContact O-N 2.7Å; W31-N33 VanDerWaalsContact C-N 3.26Å; W31-N33 PolarHBondContact O-N 3.49Å; W31-Y34 VanDerWaalsContact O-CD2 3.26Å; W31-Y34 WeakPolarHBondContact O-CD2 3.47Å; W31-Y34 WeakPolarHBondContact O-CE2 3.43Å; W31-Y34 PolarHBondContact O-N 3.27Å; W31-I84 HydrophobicContact CH2-CD1 3.8Å; W31-I84 HydrophobicContact CZ3-CD1 3.59Å; W31-L161 HydrophobicContact CH2-CD2 4.4Å; W31-L161 HydrophobicContact CZ2-CD2 4.08Å; W31-W173 AromaticContact CH2-CD2 3.93Å; W31-W173 HydrophobicContact CH2-CD2 3.93Å; W31-W173 AromaticContact CH2-CE3 3.99Å; W31-W173 HydrophobicContact CH2-CE3 3.99Å; W31-W173 HydrophobicContact CH2-CG 4.31Å; W31-W173 HydrophobicContact CH2-CZ3 4.46Å; W31-W173 HydrophobicContact CZ2-CB 4.21Å; W31-W173 HydrophobicContact CZ2-CD2 4.01Å; W31-W173 AromaticContact CZ2-CE3 3.98Å; W31-W173 HydrophobicContact CZ2-CE3 3.98Å; W31-W173 HydrophobicContact CZ2-CG 4.11Å; W31-C175 PolarHBondContact NE1-SG 2.91Å; W31-P323 HydrophobicContact CH2-CG 3.59Å; W31-P323 HydrophobicContact CZ3-CB 4.5Å; W31-P323 HydrophobicContact CZ3-CG 3.6Å; W31-F405 HydrophobicContact CB-CE1 4.47Å; W31-F405 HydrophobicContact CB-CE2 4.18Å; W31-F405 HydrophobicContact CB-CZ 3.57Å; W31-F405 HydrophobicContact CD2-CE2 4.1Å; W31-F405 AromaticContact CD2-CZ 3.86Å; W31-F405 HydrophobicContact CD2-CZ 3.86Å; W31-F405 HydrophobicContact CE3-CE2 4.34Å; W31-F405 AromaticContact CE3-CZ 3.82Å; W31-F405 HydrophobicContact CE3-CZ 3.82Å; W31-F405 HydrophobicContact CG-CE2 4.02Å; W31-F405 AromaticContact CG-CZ 3.77Å; W31-F405 HydrophobicContact CG-CZ 3.77Å; W31-F408 AromaticContact CD1-CE1 3.83Å; W31-F408 AromaticContact NE1-CE1 3.85Å; W31-L409 HydrophobicContact CB-CD2 3.59Å; W31-L409 HydrophobicContact CG-CD2 4.16Å |
| 32 | L | 97.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.4 | -12.7 | -170.5 | -63.3 | 177.7 | 0 | 0 | 0 | 113.6 | Y28 Y29 Y34 F44 F49 I84 | Y28-L32 HydrophobicContact CD1-CD1 4.06Å; Y28-L32 HydrophobicContact CE1-CD1 3.54Å; Y28-L32 HydrophobicContact CE2-CD1 4.34Å; Y28-L32 PolarHBondContact O-N 3.37Å; Y29-L32 PolarHBondContact O-N 3.42Å; L32-Y34 WeakPolarHBondContact O-CD2 3.47Å; L32-F44 HydrophobicContact CB-CD2 3.93Å; L32-F44 HydrophobicContact CB-CE2 4.21Å; L32-F49 HydrophobicContact CD1-CE1 3.68Å; L32-F49 HydrophobicContact CD1-CZ 3.6Å; L32-I84 HydrophobicContact CD1-CD1 4.23Å; L32-I84 HydrophobicContact CD2-CD1 4.42Å; L32-I84 HydrophobicContact CD2-CG2 4.35Å |
| 33 | N | 94.9 | Very high | 89.4 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -12.6 | 175 | -164 | 38.1 | 0 | 0 | 0 | 113 | Y29 W31 G35 G36 F44 | Y29-N33 HydrophobicContact CD1-CB 4.39Å; Y29-N33 HydrophobicContact CE1-CB 4.13Å; Y29-N33 HydrophobicContact CE2-CB 4.45Å; Y29-N33 WeakPolarHBondContact O-CB 3.24Å; Y29-N33 PolarHBondContact O-N 2.96Å; W31-N33 VanDerWaalsContact C-N 3.26Å; W31-N33 PolarHBondContact O-N 3.49Å; N33-G35 VanDerWaalsContact C-N 3.28Å; N33-G35 PolarHBondContact O-N 3.45Å; N33-G35 VanDerWaalsContact O-N 3.14Å; N33-G36 VanDerWaalsContact ND2-CA 3.31Å; N33-G36 WeakPolarHBondContact ND2-CA 3.33Å; N33-G36 WeakPolarHBondContact O-CA 3.39Å; N33-G36 PolarHBondContact O-N 3.47Å; N33-F44 HydrophobicContact CB-CB 4.36Å |
| 34 | Y | 92.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 41 | 173.4 | -72.3 | -86.5 | 0 | 0 | 0 | 115.7 | W31 L32 G36 Y43 E109 C175 R180 M412 W416 | W31-Y34 VanDerWaalsContact O-CD2 3.26Å; W31-Y34 WeakPolarHBondContact O-CD2 3.47Å; W31-Y34 WeakPolarHBondContact O-CE2 3.43Å; W31-Y34 PolarHBondContact O-N 3.27Å; L32-Y34 WeakPolarHBondContact O-CD2 3.47Å; Y34-G36 VanDerWaalsContact C-N 3.32Å; Y34-Y43 AromaticContact CD2-CD1 3.66Å; Y34-Y43 HydrophobicContact CD2-CD1 3.66Å; Y34-Y43 AromaticContact CD2-CE1 3.27Å; Y34-Y43 HydrophobicContact CD2-CE1 3.27Å; Y34-Y43 HydrophobicContact CE2-CD1 4.47Å; Y34-Y43 AromaticContact CE2-CE1 3.75Å; Y34-Y43 HydrophobicContact CE2-CE1 3.75Å; Y34-Y43 HydrophobicContact CG-CD1 4.36Å; Y34-Y43 HydrophobicContact CG-CE1 4.03Å; Y34-E109 WeakPolarHBondContact CE2-OE1 3.37Å; Y34-E109 VanDerWaalsContact CZ-OE1 3.24Å; Y34-E109 VanDerWaalsContact OH-CD 3.3Å; Y34-E109 VanDerWaalsContact OH-CG 3.23Å; Y34-E109 WeakPolarHBondContact OH-CG 3.33Å; Y34-E109 PolarHBondContact OH-OE1 3.33Å; Y34-C175 HydrophobicContact CE1-CB 4.14Å; Y34-C175 PolarHBondContact OH-SG 3.09Å; Y34-C175 VanDerWaalsContact OH-SG 3.38Å; Y34-R180 VanDerWaalsContact CZ-CD 3.47Å; Y34-M412 HydrophobicContact CD1-CE 3.65Å; Y34-M412 HydrophobicContact CE1-CE 3.33Å; Y34-W416 VanDerWaalsContact C-CZ3 3.41Å; Y34-W416 VanDerWaalsContact CA-CZ2 3.48Å; Y34-W416 HydrophobicContact CD1-CH2 4.26Å; Y34-W416 AromaticContact CD1-CZ2 3.49Å; Y34-W416 HydrophobicContact CD1-CZ2 3.49Å; Y34-W416 VanDerWaalsContact CD1-CZ2 3.49Å; Y34-W416 HydrophobicContact CE1-CZ2 4.35Å; Y34-W416 HydrophobicContact CG-CZ2 4.1Å |
| 35 | G | 83.1 | Confident | 89.4 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 33% | 0.33 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N33 S38 W416 | N33-G35 VanDerWaalsContact C-N 3.28Å; N33-G35 PolarHBondContact O-N 3.45Å; N33-G35 VanDerWaalsContact O-N 3.14Å; G35-S38 PolarHBondContact O-OG 3.23Å; G35-W416 VanDerWaalsContact CA-CE3 3.46Å; G35-W416 VanDerWaalsContact CA-CZ3 3.47Å |
| 36 | G | 80.6 | Confident | 89.5 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | 80.3 | -161.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N33 Y34 S38 V39 Q40 | N33-G36 VanDerWaalsContact ND2-CA 3.31Å; N33-G36 WeakPolarHBondContact ND2-CA 3.33Å; N33-G36 WeakPolarHBondContact O-CA 3.39Å; N33-G36 PolarHBondContact O-N 3.47Å; Y34-G36 VanDerWaalsContact C-N 3.32Å; G36-S38 PolarHBondContact O-N 2.92Å; G36-S38 VanDerWaalsContact O-N 3.13Å; G36-V39 PolarHBondContact O-N 3.21Å; G36-Q40 PolarHBondContact O-N 3.17Å |
| 37 | A | 67.6 | Low | 89.7 | Confident | 72 Ų | 72 | 39 Ų | 39 | 60% | 0.595 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -63.8 | -19.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V39 | A37-V39 PolarHBondContact O-N 3.39Š|
| 38 | S | 63.8 | Low | 89.7 | Confident | 82 Ų | 82 | 38.4 Ų | 38.4 | 57% | 0.573 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -69 | -21.7 | 171.8 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | G35 G36 | G35-S38 PolarHBondContact O-OG 3.23Å; G36-S38 PolarHBondContact O-N 2.92Å; G36-S38 VanDerWaalsContact O-N 3.13Å |
| 39 | V | 70.4 | Confident | 89.8 | Confident | 55 Ų | 55 | 38.4 Ų | 38.4 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -52.9 | 175.9 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | G36 A37 | G36-V39 PolarHBondContact O-N 3.21Å; A37-V39 PolarHBondContact O-N 3.39Å |
| 40 | Q | 79.1 | Confident | 89.8 | Confident | 61 Ų | 61 | 36.4 Ų | 36.4 | 29% | 0.285 | 20% | 0.202 | S | C | . | . | trans | -150.9 | 118 | 179.4 | -169 | 165.2 | -7.3 | 0 | 0 | 110.7 | G36 Y43 E107 | G36-Q40 PolarHBondContact O-N 3.17Å; Q40-Y43 HydrophobicContact CB-CD2 4.11Å; Q40-Y43 HydrophobicContact CG-CD2 3.8Å; Q40-Y43 VanDerWaalsContact OE1-CD2 3.3Å; Q40-Y43 VanDerWaalsContact OE1-CE2 3.25Å; Q40-E107 PolarHBondContact NE2-OE1 2.9Å | ||
| 41 | K | 87.3 | Confident | 90 | Very high | 168 Ų | 168 | 31.1 Ų | 31.1 | 73% | 0.73 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 141.7 | 176.4 | -67.6 | -176.3 | 179.7 | 178.6 | 0 | 110.2 | Y43 | K41-Y43 PolarHBondContact O-N 3.41Š|
| 42 | N | 92.1 | Very high | 90 | Very high | 88 Ų | 88 | 31.5 Ų | 31.5 | 47% | 0.471 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 11.7 | 174.2 | -55.5 | -36.4 | 0 | 0 | 0 | 116.4 | F44 Q45 N46 | N42-F44 PolarHBondContact O-N 3Å; N42-Q45 HydrophobicContact CB-CB 4.49Å; N42-Q45 PolarHBondContact O-N 2.76Å; N42-N46 WeakPolarHBondContact O-CB 3.39Å; N42-N46 PolarHBondContact O-N 3.1Å |
| 43 | Y | 95.6 | Very high | 90 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -51.5 | -173.6 | -157.9 | -101.2 | 0 | 0 | 0 | 113.1 | Y34 Q40 K41 R47 V87 E107 R180 | Y34-Y43 AromaticContact CD2-CD1 3.66Å; Y34-Y43 HydrophobicContact CD2-CD1 3.66Å; Y34-Y43 AromaticContact CD2-CE1 3.27Å; Y34-Y43 HydrophobicContact CD2-CE1 3.27Å; Y34-Y43 HydrophobicContact CE2-CD1 4.47Å; Y34-Y43 AromaticContact CE2-CE1 3.75Å; Y34-Y43 HydrophobicContact CE2-CE1 3.75Å; Y34-Y43 HydrophobicContact CG-CD1 4.36Å; Y34-Y43 HydrophobicContact CG-CE1 4.03Å; Q40-Y43 HydrophobicContact CB-CD2 4.11Å; Q40-Y43 HydrophobicContact CG-CD2 3.8Å; Q40-Y43 VanDerWaalsContact OE1-CD2 3.3Å; Q40-Y43 VanDerWaalsContact OE1-CE2 3.25Å; K41-Y43 PolarHBondContact O-N 3.41Å; Y43-R47 PolarHBondContact O-N 2.98Å; Y43-V87 HydrophobicContact CD1-CG2 3.94Å; Y43-V87 HydrophobicContact CD2-CG1 4.1Å; Y43-V87 HydrophobicContact CD2-CG2 4.2Å; Y43-V87 HydrophobicContact CE1-CG2 3.61Å; Y43-V87 HydrophobicContact CE2-CB 4.36Å; Y43-V87 HydrophobicContact CE2-CG1 4.26Å; Y43-V87 HydrophobicContact CE2-CG2 3.93Å; Y43-V87 HydrophobicContact CG-CG2 4.25Å; Y43-E107 HydrophobicContact CE2-CB 4.4Å; Y43-E107 VanDerWaalsContact CE2-OE2 3.24Å; Y43-E107 WeakPolarHBondContact CE2-OE2 3.43Å; Y43-E107 PolarHBondContact OH-OE2 3.36Å; Y43-R180 VanDerWaalsContact OH-CD 3.29Å; Y43-R180 WeakPolarHBondContact OH-CD 3.46Å; Y43-R180 PolarHBondContact OH-NE 3.37Å |
| 44 | F | 97.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -39.5 | 176.5 | -179.7 | -94.8 | 0 | 0 | 0 | 111.7 | Y29 L32 N33 N42 N46 R47 F49 F64 L70 | Y29-F44 HydrophobicContact CD2-CD1 4.06Å; Y29-F44 AromaticContact CD2-CD2 3.81Å; Y29-F44 HydrophobicContact CD2-CD2 3.81Å; Y29-F44 AromaticContact CD2-CE1 3.82Å; Y29-F44 HydrophobicContact CD2-CE1 3.82Å; Y29-F44 AromaticContact CD2-CE2 3.59Å; Y29-F44 HydrophobicContact CD2-CE2 3.59Å; Y29-F44 HydrophobicContact CD2-CG 4.03Å; Y29-F44 AromaticContact CD2-CZ 3.6Å; Y29-F44 HydrophobicContact CD2-CZ 3.6Å; Y29-F44 HydrophobicContact CE2-CB 4.29Å; Y29-F44 AromaticContact CE2-CD1 3.45Å; Y29-F44 HydrophobicContact CE2-CD1 3.45Å; Y29-F44 VanDerWaalsContact CE2-CD1 3.45Å; Y29-F44 AromaticContact CE2-CD2 3.86Å; Y29-F44 HydrophobicContact CE2-CD2 3.86Å; Y29-F44 AromaticContact CE2-CE1 3.57Å; Y29-F44 HydrophobicContact CE2-CE1 3.57Å; Y29-F44 HydrophobicContact CE2-CE2 4Å; Y29-F44 AromaticContact CE2-CG 3.58Å; Y29-F44 HydrophobicContact CE2-CG 3.58Å; Y29-F44 AromaticContact CE2-CZ 3.86Å; Y29-F44 HydrophobicContact CE2-CZ 3.86Å; L32-F44 HydrophobicContact CB-CD2 3.93Å; L32-F44 HydrophobicContact CB-CE2 4.21Å; N33-F44 HydrophobicContact CB-CB 4.36Å; N42-F44 PolarHBondContact O-N 3Å; F44-N46 PolarHBondContact O-N 3.47Å; F44-R47 WeakPolarHBondContact O-CB 3.41Å; F44-R47 PolarHBondContact O-N 2.96Å; F44-F49 HydrophobicContact CE2-CE2 4.28Å; F44-F49 HydrophobicContact CE2-CZ 4.01Å; F44-F49 HydrophobicContact CZ-CE2 4.37Å; F44-F49 HydrophobicContact CZ-CZ 4.39Å; F44-F64 VanDerWaalsContact CD1-O 3.23Å; F44-F64 WeakPolarHBondContact CD1-O 3.27Å; F44-F64 HydrophobicContact CE1-CB 3.88Å; F44-F64 VanDerWaalsContact CE1-O 3.25Å; F44-F64 WeakPolarHBondContact CE1-O 3.43Å; F44-F64 HydrophobicContact CZ-CB 4.33Å; F44-L70 HydrophobicContact CE2-CD2 4.5Å; F44-L70 HydrophobicContact CZ-CB 4.26Å; F44-L70 HydrophobicContact CZ-CD2 4.03Å |
| 45 | Q | 98 | Very high | 89.8 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 16% | 0.159 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -27.4 | -176.3 | -64.2 | 86.4 | -8.1 | 0 | 0 | 113.1 | N42 F64 S65 | N42-Q45 HydrophobicContact CB-CB 4.49Å; N42-Q45 PolarHBondContact O-N 2.76Å; Q45-F64 WeakPolarHBondContact CA-O 3.47Å; Q45-S65 WeakPolarHBondContact CG-O 3.31Å; Q45-S65 PolarHBondContact NE2-O 3.37Å |
| 46 | N | 98.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 6 | 177.2 | -68.5 | 6.1 | 0 | 0 | 0 | 113 | N42 F44 V87 Y88 S89 R91 P92 | N42-N46 WeakPolarHBondContact O-CB 3.39Å; N42-N46 PolarHBondContact O-N 3.1Å; F44-N46 PolarHBondContact O-N 3.47Å; N46-V87 HydrophobicContact CB-CG1 3.91Å; N46-V87 WeakPolarHBondContact O-CA 3.16Å; N46-Y88 VanDerWaalsContact CB-O 3.25Å; N46-Y88 WeakPolarHBondContact CB-O 3.27Å; N46-Y88 PolarHBondContact ND2-O 3.21Å; N46-Y88 PolarHBondContact O-N 2.89Å; N46-S89 PolarHBondContact ND2-O 3.35Å; N46-R91 PolarHBondContact OD1-N 3.32Å; N46-P92 WeakPolarHBondContact O-CD 3.45Å |
| 47 | R | 98.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.8 | 175.4 | -179.5 | 61.8 | 63.3 | 156.2 | 13.3 | 110.5 | Y43 F44 F49 S63 I84 G85 V87 E109 | Y43-R47 PolarHBondContact O-N 2.98Å; F44-R47 WeakPolarHBondContact O-CB 3.41Å; F44-R47 PolarHBondContact O-N 2.96Å; R47-F49 HydrophobicContact CB-CE2 4.02Å; R47-F49 HydrophobicContact CG-CD2 4.26Å; R47-F49 HydrophobicContact CG-CE2 3.67Å; R47-F49 HydrophobicContact CG-CZ 3.84Å; R47-S63 VanDerWaalsContact O-CB 3.32Å; R47-S63 WeakPolarHBondContact O-CB 3.31Å; R47-I84 HydrophobicContact CG-CG2 4.34Å; R47-G85 WeakPolarHBondContact CD-O 3.4Å; R47-G85 PolarHBondContact NH1-O 2.83Å; R47-V87 VanDerWaalsContact NE-CG2 3.31Å; R47-E109 IonicContact CZ-OE1 2.82Å; R47-E109 IonicContact CZ-OE2 3.43Å; R47-E109 IonicContact NH1-OE1 3.15Å; R47-E109 IonicContact NH1-OE2 3.63Å; R47-E109 PolarHBondContact NH1-OE2 2.78Å; R47-E109 IonicContact NH2-OE1 2.68Å; R47-E109 PolarHBondContact NH2-OE1 3.3Å; R47-E109 IonicContact NH2-OE2 3.66Å; R47-E109 PolarHBondContact NH2-OE2 3.49Å |
| 48 | E | 98.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134.2 | 169 | 178.6 | 179.1 | -160.5 | 0 | 0 | 110.9 | R60 Y61 Q62 G85 A86 Y88 P92 L319 | E48-R60 VanDerWaalsContact CD-NH2 3.29Å; E48-R60 IonicContact OE1-CZ 3.33Å; E48-R60 IonicContact OE1-NE 3.36Å; E48-R60 PolarHBondContact OE1-NE 3.45Å; E48-R60 IonicContact OE1-NH2 3Å; E48-R60 PolarHBondContact OE1-NH2 3.06Å; E48-R60 IonicContact OE2-CZ 3.88Å; E48-R60 IonicContact OE2-NH2 2.83Å; E48-R60 PolarHBondContact OE2-NH2 3.38Å; E48-Y61 HydrophobicContact CG-CD1 4.36Å; E48-Y61 VanDerWaalsContact OE1-CD1 3.27Å; E48-Y61 WeakPolarHBondContact OE1-CD1 3.5Å; E48-Y61 PolarHBondContact OE1-N 3.38Å; E48-Y61 VanDerWaalsContact OE1-N 3.12Å; E48-Q62 CarbonylContact C-O 3.56Å; E48-Q62 WeakPolarHBondContact CA-O 3.45Å; E48-G85 PolarHBondContact O-N 3.11Å; E48-A86 PolarHBondContact N-O 3.01Å; E48-Y88 HydrophobicContact CB-CD2 4.09Å; E48-Y88 HydrophobicContact CB-CE2 3.7Å; E48-Y88 WeakPolarHBondContact OE2-CE2 3.23Å; E48-Y88 PolarHBondContact OE2-OH 2.8Å; E48-P92 HydrophobicContact CB-CB 4.25Å; E48-P92 HydrophobicContact CB-CG 3.9Å; E48-L319 HydrophobicContact CG-CD2 4.28Å |
| 49 | F | 98.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 150.6 | 160.1 | -62.2 | -91 | 0 | 0 | 0 | 109.2 | Y28 L32 F44 R47 F51 Q62 F64 D83 I84 | Y28-F49 AromaticContact CE1-CE1 3.87Å; Y28-F49 HydrophobicContact CE1-CE1 3.87Å; Y28-F49 HydrophobicContact CE1-CZ 4.44Å; L32-F49 HydrophobicContact CD1-CE1 3.68Å; L32-F49 HydrophobicContact CD1-CZ 3.6Å; F44-F49 HydrophobicContact CE2-CE2 4.28Å; F44-F49 HydrophobicContact CE2-CZ 4.01Å; F44-F49 HydrophobicContact CZ-CE2 4.37Å; F44-F49 HydrophobicContact CZ-CZ 4.39Å; R47-F49 HydrophobicContact CB-CE2 4.02Å; R47-F49 HydrophobicContact CG-CD2 4.26Å; R47-F49 HydrophobicContact CG-CE2 3.67Å; R47-F49 HydrophobicContact CG-CZ 3.84Å; F49-F51 HydrophobicContact CB-CE1 4.22Å; F49-F51 HydrophobicContact CB-CZ 4.47Å; F49-Q62 HydrophobicContact CB-CB 4.21Å; F49-Q62 PolarHBondContact N-O 3.28Å; F49-Q62 WeakPolarHBondContact O-CB 3.46Å; F49-Q62 PolarHBondContact O-N 3.15Å; F49-F64 HydrophobicContact CB-CE2 4.09Å; F49-F64 AromaticContact CD2-CD2 3.66Å; F49-F64 HydrophobicContact CD2-CD2 3.66Å; F49-F64 AromaticContact CD2-CE2 3.6Å; F49-F64 HydrophobicContact CD2-CE2 3.6Å; F49-F64 AromaticContact CE2-CD2 3.87Å; F49-F64 HydrophobicContact CE2-CD2 3.87Å; F49-F64 HydrophobicContact CE2-CE2 4.22Å; F49-F64 HydrophobicContact CG-CD2 4.39Å; F49-F64 AromaticContact CG-CE2 3.91Å; F49-F64 HydrophobicContact CG-CE2 3.91Å; F49-D83 WeakPolarHBondContact CA-O 3.49Å; F49-I84 HydrophobicContact CD1-CG1 4.35Å; F49-I84 HydrophobicContact CE1-CG1 4.26Å |
| 50 | S | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.6 | 166.4 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | Y58 V59 I82 D83 | S50-Y58 WeakPolarHBondContact OG-CE2 3.47Å; S50-Y58 PolarHBondContact OG-OH 2.99Å; S50-V59 CarbonylContact C-O 3.56Å; S50-V59 WeakPolarHBondContact CA-O 3.36Å; S50-V59 WeakPolarHBondContact CB-O 3.49Å; S50-V59 PolarHBondContact OG-O 3.01Å; S50-I82 WeakPolarHBondContact O-CA 3.45Å; S50-D83 PolarHBondContact N-O 2.97Å; S50-D83 PolarHBondContact O-N 2.93Å |
| 51 | F | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132 | 179.1 | -65.1 | -25.2 | 0 | 0 | 0 | 109.7 | F49 L53 V59 Q62 F64 M74 M77 P79 K81 I82 | F49-F51 HydrophobicContact CB-CE1 4.22Å; F49-F51 HydrophobicContact CB-CZ 4.47Å; F51-L53 HydrophobicContact CB-CD2 4.22Å; F51-V59 PolarHBondContact N-O 3.23Å; F51-V59 PolarHBondContact O-N 3.35Å; F51-Q62 HydrophobicContact CD2-CG 4.34Å; F51-F64 HydrophobicContact CE2-CE2 4.43Å; F51-F64 AromaticContact CE2-CZ 3.7Å; F51-F64 HydrophobicContact CE2-CZ 3.7Å; F51-F64 AromaticContact CZ-CE2 3.96Å; F51-F64 HydrophobicContact CZ-CE2 3.96Å; F51-F64 AromaticContact CZ-CZ 3.66Å; F51-F64 HydrophobicContact CZ-CZ 3.66Å; F51-M74 HydrophobicContact CE1-CG 4.42Å; F51-M74 HydrophobicContact CE2-CG 4.45Å; F51-M74 HydrophobicContact CZ-CG 3.82Å; F51-M77 HydrophobicContact CD2-CE 3.62Å; F51-M77 HydrophobicContact CD2-SD 3.84Å; F51-M77 HydrophobicContact CE2-CE 3.45Å; F51-M77 VanDerWaalsContact CE2-CE 3.45Å; F51-M77 HydrophobicContact CE2-SD 4.3Å; F51-P79 HydrophobicContact CB-CB 3.83Å; F51-P79 HydrophobicContact CD1-CB 4.02Å; F51-P79 HydrophobicContact CD1-CG 4.04Å; F51-P79 HydrophobicContact CE1-CG 4.36Å; F51-P79 HydrophobicContact CG-CB 3.88Å; F51-P79 HydrophobicContact CG-CG 4.18Å; F51-K81 WeakPolarHBondContact CA-O 3.35Å; F51-I82 HydrophobicContact CD1-CB 4.34Å; F51-I82 HydrophobicContact CD1-CG1 3.99Å; F51-I82 HydrophobicContact CD1-CG2 4.09Å; F51-I82 HydrophobicContact CE1-CB 4.42Å; F51-I82 HydrophobicContact CE1-CG1 4.06Å; F51-I82 HydrophobicContact CE1-CG2 3.8Å |
| 52 | T | 98.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.1 | 163 | -52.3 | 0 | 0 | 0 | 0 | 108 | D56 I57 Y80 K81 | T52-D56 HydrophobicContact CG2-CB 4.45Å; T52-I57 CarbonylContact C-O 3.57Å; T52-I57 WeakPolarHBondContact CA-O 3.26Å; T52-Y80 WeakPolarHBondContact O-CB 3.36Å; T52-Y80 PolarHBondContact O-N 3.15Å; T52-K81 HydrophobicContact CG2-CD 4.1Å; T52-K81 HydrophobicContact CG2-CG 4.49Å; T52-K81 PolarHBondContact N-O 2.82Å; T52-K81 PolarHBondContact O-N 3.46Å |
| 53 | L | 96.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | trans | -97.4 | -169 | 179.2 | -52.1 | -179 | 0 | 0 | 0 | 110.2 | F51 D56 I57 V59 M77 P79 | F51-L53 HydrophobicContact CB-CD2 4.22Å; L53-D56 PolarHBondContact O-N 3.5Å; L53-I57 HydrophobicContact CB-CB 4.3Å; L53-I57 PolarHBondContact N-O 3.43Å; L53-V59 HydrophobicContact CD1-CG2 4.13Å; L53-V59 HydrophobicContact CG-CG2 4.47Å; L53-M77 HydrophobicContact CD2-CB 4.08Å; L53-P79 HydrophobicContact CD2-CB 4.16Å | ||
| 54 | K | 91.3 | Very high | 97 | Very high | 129 Ų | 129 | 43.7 Ų | 43.7 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -55.1 | 150.8 | 171.8 | -167.6 | -179.9 | 173.5 | -178.6 | 0 | 110.5 | D56 I57 Y80 | K54-D56 PolarHBondContact O-N 2.98Å; K54-I57 WeakPolarHBondContact O-CG1 3.41Å; K54-I57 PolarHBondContact O-N 2.95Å; K54-Y80 HydrophobicContact CB-CE2 3.95Å |
| 55 | D | 91.8 | Very high | 96.9 | Very high | 131 Ų | 131 | 45.8 Ų | 45.8 | 70% | 0.701 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | 60.1 | 28.5 | -179.9 | -49.8 | -42.7 | 0 | 0 | 0 | 113.2 | I57 | D55-I57 PolarHBondContact O-N 3.3Å; D55-I57 VanDerWaalsContact O-N 3.11Å |
| 56 | D | 92.1 | Very high | 96.8 | Very high | 113 Ų | 113 | 46 Ų | 46 | 60% | 0.604 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | 53.5 | 27.2 | -176.5 | -74.3 | -59.3 | 0 | 0 | 0 | 113.6 | T52 L53 K54 Y58 K81 | T52-D56 HydrophobicContact CG2-CB 4.45Å; L53-D56 PolarHBondContact O-N 3.5Å; K54-D56 PolarHBondContact O-N 2.98Å; D56-Y58 PolarHBondContact O-N 3.3Å; D56-Y58 VanDerWaalsContact O-N 3.08Å; D56-K81 IonicContact OD1-NZ 2.78Å; D56-K81 PolarHBondContact OD1-NZ 2.65Å |
| 57 | I | 95.8 | Very high | 96.8 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 49% | 0.492 | 23% | 0.23 | S | C | . | . | trans | -64.2 | 114 | 173.7 | -64.4 | 170.8 | 0 | 0 | 0 | 108.7 | T52 L53 K54 D55 V59 | T52-I57 CarbonylContact C-O 3.57Å; T52-I57 WeakPolarHBondContact CA-O 3.26Å; L53-I57 HydrophobicContact CB-CB 4.3Å; L53-I57 PolarHBondContact N-O 3.43Å; K54-I57 WeakPolarHBondContact O-CG1 3.41Å; K54-I57 PolarHBondContact O-N 2.95Å; D55-I57 PolarHBondContact O-N 3.3Å; D55-I57 VanDerWaalsContact O-N 3.11Å; I57-V59 HydrophobicContact CG2-CG2 4.23Å | ||
| 58 | Y | 95.5 | Very high | 96.7 | Very high | 110 Ų | 110 | 49.9 Ų | 49.9 | 43% | 0.431 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.5 | -173.8 | -177.1 | -111.1 | 0 | 0 | 0 | 111.3 | S50 D56 R60 L319 | S50-Y58 WeakPolarHBondContact OG-CE2 3.47Å; S50-Y58 PolarHBondContact OG-OH 2.99Å; D56-Y58 PolarHBondContact O-N 3.3Å; D56-Y58 VanDerWaalsContact O-N 3.08Å; Y58-R60 HydrophobicContact CD1-CG 4.04Å; Y58-R60 HydrophobicContact CE1-CG 3.29Å; Y58-L319 WeakPolarHBondContact OH-CD1 3.27Å |
| 59 | V | 97 | Very high | 96.7 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118.9 | -176.6 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | S50 F51 L53 I57 Q62 | S50-V59 CarbonylContact C-O 3.56Å; S50-V59 WeakPolarHBondContact CA-O 3.36Å; S50-V59 WeakPolarHBondContact CB-O 3.49Å; S50-V59 PolarHBondContact OG-O 3.01Å; F51-V59 PolarHBondContact N-O 3.23Å; F51-V59 PolarHBondContact O-N 3.35Å; L53-V59 HydrophobicContact CD1-CG2 4.13Å; L53-V59 HydrophobicContact CG-CG2 4.47Å; I57-V59 HydrophobicContact CG2-CG2 4.23Å; V59-Q62 HydrophobicContact CG1-CG 4.2Å; V59-Q62 VanDerWaalsContact CG1-NE2 3.31Å |
| 60 | R | 97.4 | Very high | 96.7 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 175.5 | 177.6 | -76.6 | -160.2 | 66 | 160.2 | 8.4 | 112.8 | E48 Y58 Q62 L319 | E48-R60 VanDerWaalsContact CD-NH2 3.29Å; E48-R60 IonicContact OE1-CZ 3.33Å; E48-R60 IonicContact OE1-NE 3.36Å; E48-R60 PolarHBondContact OE1-NE 3.45Å; E48-R60 IonicContact OE1-NH2 3Å; E48-R60 PolarHBondContact OE1-NH2 3.06Å; E48-R60 IonicContact OE2-CZ 3.88Å; E48-R60 IonicContact OE2-NH2 2.83Å; E48-R60 PolarHBondContact OE2-NH2 3.38Å; Y58-R60 HydrophobicContact CD1-CG 4.04Å; Y58-R60 HydrophobicContact CE1-CG 3.29Å; R60-Q62 PolarHBondContact O-N 3.47Å; R60-Q62 VanDerWaalsContact O-N 3.16Å; R60-Q62 PolarHBondContact O-NE2 3.36Å; R60-Q62 VanDerWaalsContact O-NE2 3.09Å; R60-L319 HydrophobicContact CG-CD1 4.23Å |
| 61 | Y | 98 | Very high | 96.6 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 26% | 0.255 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 33.8 | 173.4 | -55.7 | -59.5 | 0 | 0 | 0 | 113.4 | E48 P92 N93 H95 F103 | E48-Y61 HydrophobicContact CG-CD1 4.36Å; E48-Y61 VanDerWaalsContact OE1-CD1 3.27Å; E48-Y61 WeakPolarHBondContact OE1-CD1 3.5Å; E48-Y61 PolarHBondContact OE1-N 3.38Å; E48-Y61 VanDerWaalsContact OE1-N 3.12Å; Y61-P92 WeakPolarHBondContact CB-O 3.41Å; Y61-P92 HydrophobicContact CD1-CB 4.33Å; Y61-P92 CarbonylContact O-C 3.14Å; Y61-N93 WeakPolarHBondContact O-CA 3.29Å; Y61-N93 PolarHBondContact O-N 3.21Å; Y61-H95 AromaticContact CD2-CE1 3.55Å; Y61-H95 AromaticContact CD2-ND1 3.97Å; Y61-H95 AromaticContact CD2-NE2 3.62Å; Y61-H95 AromaticContact CG-CE1 3.89Å; Y61-H95 AromaticContact CG-ND1 3.87Å; Y61-F103 HydrophobicContact CD1-CE1 4.04Å; Y61-F103 HydrophobicContact CD1-CZ 4.1Å; Y61-F103 AromaticContact CE1-CE1 3.78Å; Y61-F103 HydrophobicContact CE1-CE1 3.78Å; Y61-F103 HydrophobicContact CE1-CZ 4.26Å |
| 62 | Q | 98.6 | Very high | 96.6 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 144.9 | 167.8 | -56.1 | -56 | -64.9 | 0 | 0 | 108.8 | E48 F49 F51 V59 R60 F64 | E48-Q62 CarbonylContact C-O 3.56Å; E48-Q62 WeakPolarHBondContact CA-O 3.45Å; F49-Q62 HydrophobicContact CB-CB 4.21Å; F49-Q62 PolarHBondContact N-O 3.28Å; F49-Q62 WeakPolarHBondContact O-CB 3.46Å; F49-Q62 PolarHBondContact O-N 3.15Å; F51-Q62 HydrophobicContact CD2-CG 4.34Å; V59-Q62 HydrophobicContact CG1-CG 4.2Å; V59-Q62 VanDerWaalsContact CG1-NE2 3.31Å; R60-Q62 PolarHBondContact O-N 3.47Å; R60-Q62 VanDerWaalsContact O-N 3.16Å; R60-Q62 PolarHBondContact O-NE2 3.36Å; R60-Q62 VanDerWaalsContact O-NE2 3.09Å; Q62-F64 HydrophobicContact CB-CE2 4.44Å; Q62-F64 HydrophobicContact CB-CZ 4.13Å |
| 63 | S | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | trans | -158.5 | 150.4 | 176.8 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | R47 P92 N93 | R47-S63 VanDerWaalsContact O-CB 3.32Å; R47-S63 WeakPolarHBondContact O-CB 3.31Å; S63-P92 VanDerWaalsContact CB-CD 3.49Å; S63-N93 PolarHBondContact O-ND2 2.83Å; S63-N93 VanDerWaalsContact O-ND2 3.07Å; S63-N93 WeakPolarHBondContact OG-CB 3.42Å; S63-N93 PolarHBondContact OG-N 3.38Å; S63-N93 VanDerWaalsContact OG-N 3.08Å; S63-N93 PolarHBondContact OG-ND2 2.75Å; S63-N93 PolarHBondContact OG-OD1 3.05Å | ||
| 64 | F | 98.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | trans | -131.7 | 143.6 | -169.5 | -50.9 | -76.9 | 0 | 0 | 0 | 110.8 | F44 Q45 F49 F51 Q62 E69 L70 E73 | F44-F64 VanDerWaalsContact CD1-O 3.23Å; F44-F64 WeakPolarHBondContact CD1-O 3.27Å; F44-F64 HydrophobicContact CE1-CB 3.88Å; F44-F64 VanDerWaalsContact CE1-O 3.25Å; F44-F64 WeakPolarHBondContact CE1-O 3.43Å; F44-F64 HydrophobicContact CZ-CB 4.33Å; Q45-F64 WeakPolarHBondContact CA-O 3.47Å; F49-F64 HydrophobicContact CB-CE2 4.09Å; F49-F64 AromaticContact CD2-CD2 3.66Å; F49-F64 HydrophobicContact CD2-CD2 3.66Å; F49-F64 AromaticContact CD2-CE2 3.6Å; F49-F64 HydrophobicContact CD2-CE2 3.6Å; F49-F64 AromaticContact CE2-CD2 3.87Å; F49-F64 HydrophobicContact CE2-CD2 3.87Å; F49-F64 HydrophobicContact CE2-CE2 4.22Å; F49-F64 HydrophobicContact CG-CD2 4.39Å; F49-F64 AromaticContact CG-CE2 3.91Å; F49-F64 HydrophobicContact CG-CE2 3.91Å; F51-F64 HydrophobicContact CE2-CE2 4.43Å; F51-F64 AromaticContact CE2-CZ 3.7Å; F51-F64 HydrophobicContact CE2-CZ 3.7Å; F51-F64 AromaticContact CZ-CE2 3.96Å; F51-F64 HydrophobicContact CZ-CE2 3.96Å; F51-F64 AromaticContact CZ-CZ 3.66Å; F51-F64 HydrophobicContact CZ-CZ 3.66Å; Q62-F64 HydrophobicContact CB-CE2 4.44Å; Q62-F64 HydrophobicContact CB-CZ 4.13Å; F64-E69 HydrophobicContact CB-CB 4.36Å; F64-E69 HydrophobicContact CB-CG 4.43Å; F64-E69 HydrophobicContact CD1-CG 4.15Å; F64-L70 HydrophobicContact CB-CB 4.03Å; F64-L70 HydrophobicContact CD1-CB 4.48Å; F64-L70 HydrophobicContact CD2-CB 4.03Å; F64-L70 HydrophobicContact CD2-CD1 3.35Å; F64-L70 HydrophobicContact CD2-CG 4.27Å; F64-L70 HydrophobicContact CE2-CD1 3.32Å; F64-L70 HydrophobicContact CG-CB 3.9Å; F64-L70 HydrophobicContact CG-CD1 4.05Å; F64-L70 HydrophobicContact CZ-CD1 4.01Å; F64-E73 HydrophobicContact CD1-CB 4.27Å; F64-E73 HydrophobicContact CD1-CG 4.36Å; F64-E73 HydrophobicContact CE1-CB 3.59Å; F64-E73 HydrophobicContact CE1-CG 3.96Å; F64-E73 HydrophobicContact CZ-CB 4.42Å | ||
| 65 | S | 96.1 | Very high | 97 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -76 | -27.3 | -178.7 | 68 | 0 | 0 | 0 | 0 | 113.8 | Q45 E69 | Q45-S65 WeakPolarHBondContact CG-O 3.31Å; Q45-S65 PolarHBondContact NE2-O 3.37Å; S65-E69 WeakPolarHBondContact CA-OE2 3.44Å; S65-E69 WeakPolarHBondContact CB-OE2 3.24Å; S65-E69 PolarHBondContact N-OE2 3.29Å; S65-E69 PolarHBondContact OG-OE2 3.49Å |
| 66 | S | 96.4 | Very high | 97.3 | Very high | 39 Ų | 39 | 58 Ų | 58 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -155.6 | 168.7 | -171.4 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | S68 E69 L70 | S66-S68 VanDerWaalsContact C-N 3.28Å; S66-S68 PolarHBondContact O-N 3.35Å; S66-E69 PolarHBondContact O-N 2.73Å; S66-E69 PolarHBondContact OG-N 3.34Å; S66-L70 PolarHBondContact O-N 2.92Å; S66-L70 VanDerWaalsContact O-N 3.12Å |
| 67 | Q | 96.6 | Very high | 97.5 | Very high | 37 Ų | 37 | 55 Ų | 55 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.8 | -44.8 | 169.7 | -178.2 | -177.5 | -53.4 | 0 | 0 | 111.7 | F25 Y29 E69 L70 E71 E386 | F25-Q67 HydrophobicContact CB-CG 4.22Å; Y29-Q67 HydrophobicContact CD1-CB 4.03Å; Y29-Q67 HydrophobicContact CD2-CB 3.88Å; Y29-Q67 HydrophobicContact CE2-CB 4.38Å; Y29-Q67 HydrophobicContact CG-CB 3.69Å; Y29-Q67 HydrophobicContact CG-CG 4.31Å; Q67-E69 PolarHBondContact O-N 3.05Å; Q67-L70 PolarHBondContact O-N 3.43Å; Q67-E71 WeakPolarHBondContact O-CB 3.41Å; Q67-E71 PolarHBondContact O-N 2.86Å; Q67-E386 PolarHBondContact NE2-OE1 2.96Å |
| 68 | S | 97.7 | Very high | 97.6 | Very high | 67 Ų | 67 | 52 Ų | 52 | 47% | 0.469 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | S66 K72 | S66-S68 VanDerWaalsContact C-N 3.28Å; S66-S68 PolarHBondContact O-N 3.35Å; S68-K72 VanDerWaalsContact O-CB 3.31Å; S68-K72 WeakPolarHBondContact O-CB 3.49Å; S68-K72 PolarHBondContact O-N 2.9Å |
| 69 | E | 98.2 | Very high | 97.7 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.8 | -44.7 | 176.1 | -169.6 | -174.5 | 166.3 | 0 | 0 | 111.7 | F64 S65 S66 Q67 E71 K72 E73 | F64-E69 HydrophobicContact CB-CB 4.36Å; F64-E69 HydrophobicContact CB-CG 4.43Å; F64-E69 HydrophobicContact CD1-CG 4.15Å; S65-E69 WeakPolarHBondContact CA-OE2 3.44Å; S65-E69 WeakPolarHBondContact CB-OE2 3.24Å; S65-E69 PolarHBondContact N-OE2 3.29Å; S65-E69 PolarHBondContact OG-OE2 3.49Å; S66-E69 PolarHBondContact O-N 2.73Å; S66-E69 PolarHBondContact OG-N 3.34Å; Q67-E69 PolarHBondContact O-N 3.05Å; E69-E71 VanDerWaalsContact C-N 3.31Å; E69-E71 PolarHBondContact O-N 3.15Å; E69-K72 PolarHBondContact O-N 3.02Å; E69-E73 WeakPolarHBondContact O-CB 3.38Å; E69-E73 PolarHBondContact O-N 3.29Å |
| 70 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.4 | -48.1 | 174.5 | 171.8 | 68.8 | 0 | 0 | 0 | 110.7 | F25 Y28 F44 F64 S66 Q67 E73 M74 | F25-L70 HydrophobicContact CD1-CD2 4.19Å; F25-L70 HydrophobicContact CD1-CG 4.29Å; F25-L70 HydrophobicContact CE1-CD2 4.45Å; F25-L70 HydrophobicContact CE1-CG 4.18Å; Y28-L70 HydrophobicContact CD1-CD2 3.92Å; Y28-L70 HydrophobicContact CE1-CD2 4.12Å; F44-L70 HydrophobicContact CE2-CD2 4.5Å; F44-L70 HydrophobicContact CZ-CB 4.26Å; F44-L70 HydrophobicContact CZ-CD2 4.03Å; F64-L70 HydrophobicContact CB-CB 4.03Å; F64-L70 HydrophobicContact CD1-CB 4.48Å; F64-L70 HydrophobicContact CD2-CB 4.03Å; F64-L70 HydrophobicContact CD2-CD1 3.35Å; F64-L70 HydrophobicContact CD2-CG 4.27Å; F64-L70 HydrophobicContact CE2-CD1 3.32Å; F64-L70 HydrophobicContact CG-CB 3.9Å; F64-L70 HydrophobicContact CG-CD1 4.05Å; F64-L70 HydrophobicContact CZ-CD1 4.01Å; S66-L70 PolarHBondContact O-N 2.92Å; S66-L70 VanDerWaalsContact O-N 3.12Å; Q67-L70 PolarHBondContact O-N 3.43Å; L70-E73 PolarHBondContact O-N 3.14Å; L70-M74 HydrophobicContact CD1-CG 3.98Å; L70-M74 HydrophobicContact CD1-SD 3.58Å; L70-M74 VanDerWaalsContact CD1-SD 3.58Å; L70-M74 HydrophobicContact CD2-SD 4.49Å; L70-M74 HydrophobicContact CG-SD 3.93Å; L70-M74 WeakPolarHBondContact O-CB 3.3Å; L70-M74 WeakPolarHBondContact O-CG 3.27Å; L70-M74 PolarHBondContact O-N 3.07Å |
| 71 | E | 98 | Very high | 97.8 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | -179.4 | -179.3 | 175.6 | 178.9 | 0 | 0 | 112 | F25 Q67 E69 E73 M74 Q75 K389 | F25-E71 HydrophobicContact CD1-CB 3.89Å; F25-E71 HydrophobicContact CD1-CG 4.33Å; F25-E71 HydrophobicContact CD2-CB 4.42Å; F25-E71 HydrophobicContact CD2-CG 3.99Å; F25-E71 VanDerWaalsContact CE1-CA 3.49Å; F25-E71 HydrophobicContact CE1-CB 3.95Å; F25-E71 HydrophobicContact CE1-CG 4.26Å; F25-E71 HydrophobicContact CE2-CB 4.48Å; F25-E71 HydrophobicContact CE2-CG 3.93Å; F25-E71 HydrophobicContact CG-CB 4.13Å; F25-E71 HydrophobicContact CG-CG 4.19Å; F25-E71 HydrophobicContact CZ-CB 4.26Å; F25-E71 HydrophobicContact CZ-CG 4.07Å; Q67-E71 WeakPolarHBondContact O-CB 3.41Å; Q67-E71 PolarHBondContact O-N 2.86Å; E69-E71 VanDerWaalsContact C-N 3.31Å; E69-E71 PolarHBondContact O-N 3.15Å; E71-E73 PolarHBondContact O-N 3.08Å; E71-M74 PolarHBondContact O-N 3.31Å; E71-Q75 WeakPolarHBondContact O-CB 3.37Å; E71-Q75 VanDerWaalsContact O-CG 3.3Å; E71-Q75 WeakPolarHBondContact O-CG 3.26Å; E71-Q75 PolarHBondContact O-N 3.48Å; E71-Q75 PolarHBondContact OE1-NE2 3.15Å; E71-K389 IonicContact OE1-NZ 2.89Å; E71-K389 PolarHBondContact OE1-NZ 3.43Å |
| 72 | K | 98.3 | Very high | 97.9 | Very high | 138 Ų | 138 | 43.5 Ų | 43.5 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -59 | -46.8 | 178.6 | 179.9 | -179.2 | 174.6 | -177.2 | 0 | 111.7 | S68 E69 K76 | S68-K72 VanDerWaalsContact O-CB 3.31Å; S68-K72 WeakPolarHBondContact O-CB 3.49Å; S68-K72 PolarHBondContact O-N 2.9Å; E69-K72 PolarHBondContact O-N 3.02Å; K72-K76 VanDerWaalsContact O-CB 3.3Å; K72-K76 WeakPolarHBondContact O-CB 3.35Å; K72-K76 PolarHBondContact O-N 2.88Å |
| 73 | E | 98.1 | Very high | 97.9 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.5 | -36.2 | -177.6 | -72.8 | -54.3 | 128.3 | 0 | 0 | 112.3 | F64 E69 L70 E71 K76 M77 | F64-E73 HydrophobicContact CD1-CB 4.27Å; F64-E73 HydrophobicContact CD1-CG 4.36Å; F64-E73 HydrophobicContact CE1-CB 3.59Å; F64-E73 HydrophobicContact CE1-CG 3.96Å; F64-E73 HydrophobicContact CZ-CB 4.42Å; E69-E73 WeakPolarHBondContact O-CB 3.38Å; E69-E73 PolarHBondContact O-N 3.29Å; L70-E73 PolarHBondContact O-N 3.14Å; E71-E73 PolarHBondContact O-N 3.08Å; E73-K76 PolarHBondContact O-N 3.32Å; E73-K76 IonicContact OE1-NZ 3.52Å; E73-K76 IonicContact OE2-NZ 2.83Å; E73-M77 HydrophobicContact CB-CE 3.74Å; E73-M77 WeakPolarHBondContact O-CB 3.29Å; E73-M77 PolarHBondContact O-N 2.85Å |
| 74 | M | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -42 | 172.8 | -77.6 | -176.6 | 53.4 | 0 | 0 | 112.3 | Y19 F23 F25 F51 L70 E71 K76 N78 P79 I82 | Y19-M74 HydrophobicContact CD1-CE 3.44Å; Y19-M74 VanDerWaalsContact CD1-CE 3.44Å; Y19-M74 HydrophobicContact CE1-CE 3.41Å; Y19-M74 VanDerWaalsContact CE1-CE 3.41Å; Y19-M74 HydrophobicContact CG-CE 4.35Å; F23-M74 HydrophobicContact CD1-CE 4.19Å; F23-M74 HydrophobicContact CD2-CE 4.2Å; F23-M74 HydrophobicContact CE1-CE 4.07Å; F23-M74 HydrophobicContact CE2-CE 4.07Å; F23-M74 HydrophobicContact CG-CE 4.26Å; F23-M74 HydrophobicContact CZ-CE 4.01Å; F25-M74 HydrophobicContact CE1-CB 4.18Å; F25-M74 HydrophobicContact CE1-CE 3.92Å; F25-M74 HydrophobicContact CE1-CG 4.38Å; F25-M74 HydrophobicContact CE1-SD 3.56Å; F25-M74 VanDerWaalsContact CE1-SD 3.56Å; F25-M74 HydrophobicContact CZ-CB 4.05Å; F25-M74 HydrophobicContact CZ-CE 3.88Å; F25-M74 HydrophobicContact CZ-SD 4.08Å; F51-M74 HydrophobicContact CE1-CG 4.42Å; F51-M74 HydrophobicContact CE2-CG 4.45Å; F51-M74 HydrophobicContact CZ-CG 3.82Å; L70-M74 HydrophobicContact CD1-CG 3.98Å; L70-M74 HydrophobicContact CD1-SD 3.58Å; L70-M74 VanDerWaalsContact CD1-SD 3.58Å; L70-M74 HydrophobicContact CD2-SD 4.49Å; L70-M74 HydrophobicContact CG-SD 3.93Å; L70-M74 WeakPolarHBondContact O-CB 3.3Å; L70-M74 WeakPolarHBondContact O-CG 3.27Å; L70-M74 PolarHBondContact O-N 3.07Å; E71-M74 PolarHBondContact O-N 3.31Å; M74-K76 VanDerWaalsContact C-N 3.29Å; M74-K76 PolarHBondContact O-N 2.87Å; M74-N78 WeakPolarHBondContact O-CA 3.33Å; M74-N78 PolarHBondContact O-N 3.18Å; M74-P79 WeakPolarHBondContact O-CD 3.21Å; M74-I82 HydrophobicContact CE-CD1 3.43Å; M74-I82 VanDerWaalsContact CE-CD1 3.43Å; M74-I82 HydrophobicContact SD-CD1 4.31Å |
| 75 | Q | 97.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 42 Ų | 42 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.9 | -27.8 | 176.6 | -73.2 | 171.1 | 15.2 | 0 | 0 | 112.9 | Y19 E71 N78 | Y19-Q75 WeakPolarHBondContact O-CG 3.47Å; Y19-Q75 PolarHBondContact O-NE2 2.87Å; E71-Q75 WeakPolarHBondContact O-CB 3.37Å; E71-Q75 VanDerWaalsContact O-CG 3.3Å; E71-Q75 WeakPolarHBondContact O-CG 3.26Å; E71-Q75 PolarHBondContact O-N 3.48Å; E71-Q75 PolarHBondContact OE1-NE2 3.15Å; Q75-N78 PolarHBondContact O-ND2 3.36Å; Q75-N78 PolarHBondContact O-OD1 3.11Å |
| 76 | K | 97.4 | Very high | 98 | Very high | 146 Ų | 146 | 39.9 Ų | 39.9 | 64% | 0.635 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -76.7 | -48.5 | 175.3 | 178.3 | -175 | 167.8 | -160.5 | 0 | 111.8 | K72 E73 M74 | K72-K76 VanDerWaalsContact O-CB 3.3Å; K72-K76 WeakPolarHBondContact O-CB 3.35Å; K72-K76 PolarHBondContact O-N 2.88Å; E73-K76 PolarHBondContact O-N 3.32Å; E73-K76 IonicContact OE1-NZ 3.52Å; E73-K76 IonicContact OE2-NZ 2.83Å; M74-K76 VanDerWaalsContact C-N 3.29Å; M74-K76 PolarHBondContact O-N 2.87Å |
| 77 | M | 97.1 | Very high | 98.1 | Very high | 48 Ų | 48 | 38.3 Ų | 38.3 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -81.8 | -27.5 | -174.9 | -73.7 | -172.1 | -90.7 | 0 | 0 | 113.5 | F51 L53 E73 | F51-M77 HydrophobicContact CD2-CE 3.62Å; F51-M77 HydrophobicContact CD2-SD 3.84Å; F51-M77 HydrophobicContact CE2-CE 3.45Å; F51-M77 VanDerWaalsContact CE2-CE 3.45Å; F51-M77 HydrophobicContact CE2-SD 4.3Å; L53-M77 HydrophobicContact CD2-CB 4.08Å; E73-M77 HydrophobicContact CB-CE 3.74Å; E73-M77 WeakPolarHBondContact O-CB 3.29Å; E73-M77 PolarHBondContact O-N 2.85Å |
| 78 | N | 97.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 37 Ų | 37 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | trans | 45.2 | 61.7 | -175.3 | -63.1 | -58.2 | 0 | 0 | 0 | 112.4 | L15 P16 Y19 M74 Q75 | L15-N78 HydrophobicContact CB-CB 4.23Å; P16-N78 WeakPolarHBondContact CA-OD1 3.4Å; Y19-N78 HydrophobicContact CD2-CB 4.46Å; M74-N78 WeakPolarHBondContact O-CA 3.33Å; M74-N78 PolarHBondContact O-N 3.18Å; Q75-N78 PolarHBondContact O-ND2 3.36Å; Q75-N78 PolarHBondContact O-OD1 3.11Å | ||
| 79 | P | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -64.8 | 141.2 | -174 | 28.4 | -36 | 0 | 0 | 0 | 112.2 | Y19 F51 L53 M74 I82 | Y19-P79 HydrophobicContact CE2-CG 4.05Å; Y19-P79 WeakPolarHBondContact CE2-O 3.25Å; Y19-P79 PolarHBondContact OH-O 2.91Å; F51-P79 HydrophobicContact CB-CB 3.83Å; F51-P79 HydrophobicContact CD1-CB 4.02Å; F51-P79 HydrophobicContact CD1-CG 4.04Å; F51-P79 HydrophobicContact CE1-CG 4.36Å; F51-P79 HydrophobicContact CG-CB 3.88Å; F51-P79 HydrophobicContact CG-CG 4.18Å; L53-P79 HydrophobicContact CD2-CB 4.16Å; M74-P79 WeakPolarHBondContact O-CD 3.21Å; P79-I82 HydrophobicContact CB-CG1 4.2Å; P79-I82 HydrophobicContact CG-CD1 4.07Å; P79-I82 HydrophobicContact CG-CG1 3.75Å | ||
| 80 | Y | 98.2 | Very high | 98.1 | Very high | 43 Ų | 43 | 36.2 Ų | 36.2 | 17% | 0.169 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -75.9 | -35.6 | 174.9 | -75.7 | -118.2 | 0 | 0 | 0 | 111.3 | L11 P12 L15 T52 K54 P328 | L11-Y80 HydrophobicContact CD2-CD1 3.43Å; L11-Y80 VanDerWaalsContact CD2-CD1 3.43Å; L11-Y80 HydrophobicContact CD2-CE1 3.75Å; L11-Y80 HydrophobicContact CD2-CG 4.28Å; L11-Y80 HydrophobicContact CG-CD1 4.32Å; L11-Y80 HydrophobicContact CG-CE1 4.31Å; P12-Y80 WeakPolarHBondContact CG-OH 3.43Å; L15-Y80 HydrophobicContact CD1-CD2 4.09Å; L15-Y80 HydrophobicContact CD1-CE2 4.34Å; L15-Y80 HydrophobicContact CD1-CG 4.24Å; T52-Y80 WeakPolarHBondContact O-CB 3.36Å; T52-Y80 PolarHBondContact O-N 3.15Å; K54-Y80 HydrophobicContact CB-CE2 3.95Å; Y80-P328 WeakPolarHBondContact O-CG 3.05Å |
| 81 | K | 98.4 | Very high | 98.1 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 29% | 0.291 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.4 | 175.5 | -49.4 | 169 | -171.5 | 144.9 | 0 | 108.9 | F51 T52 D56 P328 | F51-K81 WeakPolarHBondContact CA-O 3.35Å; T52-K81 HydrophobicContact CG2-CD 4.1Å; T52-K81 HydrophobicContact CG2-CG 4.49Å; T52-K81 PolarHBondContact N-O 2.82Å; T52-K81 PolarHBondContact O-N 3.46Å; D56-K81 IonicContact OD1-NZ 2.78Å; D56-K81 PolarHBondContact OD1-NZ 2.65Å; K81-P328 HydrophobicContact CD-CG 4.5Å; K81-P328 HydrophobicContact CG-CG 3.78Å |
| 82 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.4 | 175.8 | -57.3 | 165.4 | 0 | 0 | 0 | 107.3 | Y19 S50 F51 M74 P79 S322 | Y19-I82 HydrophobicContact CE1-CD1 3.89Å; S50-I82 WeakPolarHBondContact O-CA 3.45Å; F51-I82 HydrophobicContact CD1-CB 4.34Å; F51-I82 HydrophobicContact CD1-CG1 3.99Å; F51-I82 HydrophobicContact CD1-CG2 4.09Å; F51-I82 HydrophobicContact CE1-CB 4.42Å; F51-I82 HydrophobicContact CE1-CG1 4.06Å; F51-I82 HydrophobicContact CE1-CG2 3.8Å; M74-I82 HydrophobicContact CE-CD1 3.43Å; M74-I82 VanDerWaalsContact CE-CD1 3.43Å; M74-I82 HydrophobicContact SD-CD1 4.31Å; P79-I82 HydrophobicContact CB-CG1 4.2Å; P79-I82 HydrophobicContact CG-CD1 4.07Å; P79-I82 HydrophobicContact CG-CG1 3.75Å; I82-S322 VanDerWaalsContact O-CB 3.27Å; I82-S322 WeakPolarHBondContact O-CB 3.45Å; I82-S322 PolarHBondContact O-N 3.31Å |
| 83 | D | 98.8 | Very high | 98.1 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 145 | 172.7 | -51.6 | -61.8 | 0 | 0 | 0 | 110.2 | F49 S50 L319 L320 K321 | F49-D83 WeakPolarHBondContact CA-O 3.49Å; S50-D83 PolarHBondContact N-O 2.97Å; S50-D83 PolarHBondContact O-N 2.93Å; D83-L319 HydrophobicContact CB-CB 3.96Å; D83-L319 HydrophobicContact CB-CD2 4.2Å; D83-L320 WeakPolarHBondContact CA-O 3.42Å; D83-K321 WeakPolarHBondContact OD1-CA 3.33Å; D83-K321 PolarHBondContact OD1-N 2.99Å |
| 84 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.7 | 179.3 | -51.3 | 170.6 | 0 | 0 | 0 | 108.5 | Y28 W31 L32 R47 F49 W173 L320 | Y28-I84 HydrophobicContact CE2-CD1 4.14Å; Y28-I84 WeakPolarHBondContact OH-CD1 3.14Å; Y28-I84 VanDerWaalsContact OH-CG1 3.3Å; Y28-I84 WeakPolarHBondContact OH-CG1 3.48Å; W31-I84 HydrophobicContact CH2-CD1 3.8Å; W31-I84 HydrophobicContact CZ3-CD1 3.59Å; L32-I84 HydrophobicContact CD1-CD1 4.23Å; L32-I84 HydrophobicContact CD2-CD1 4.42Å; L32-I84 HydrophobicContact CD2-CG2 4.35Å; R47-I84 HydrophobicContact CG-CG2 4.34Å; F49-I84 HydrophobicContact CD1-CG1 4.35Å; F49-I84 HydrophobicContact CE1-CG1 4.26Å; I84-W173 HydrophobicContact CB-CH2 3.82Å; I84-W173 HydrophobicContact CB-CZ3 4.24Å; I84-W173 HydrophobicContact CD1-CH2 4.15Å; I84-W173 HydrophobicContact CD1-CZ2 4.5Å; I84-W173 HydrophobicContact CG1-CH2 4.41Å; I84-W173 HydrophobicContact CG2-CH2 4.48Å; I84-W173 HydrophobicContact CG2-CZ3 4.41Å; I84-L320 PolarHBondContact N-O 3.01Å; I84-L320 PolarHBondContact O-N 2.92Å; I84-L320 VanDerWaalsContact O-N 3.16Å |
| 85 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -160.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R47 E48 | R47-G85 WeakPolarHBondContact CD-O 3.4Å; R47-G85 PolarHBondContact NH1-O 2.83Å; E48-G85 PolarHBondContact O-N 3.11Å |
| 86 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 163.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E48 Y88 A105 E107 K108 V316 | E48-A86 PolarHBondContact N-O 3.01Å; A86-Y88 HydrophobicContact CB-CD2 4.1Å; A86-Y88 HydrophobicContact CB-CE2 3.73Å; A86-Y88 WeakPolarHBondContact O-CD2 3.39Å; A86-A105 HydrophobicContact CB-CB 3.66Å; A86-E107 CarbonylContact C-O 3.56Å; A86-E107 WeakPolarHBondContact CA-O 3.49Å; A86-K108 HydrophobicContact CB-CB 4.27Å; A86-V316 WeakPolarHBondContact CB-O 3.34Å |
| 87 | V | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125.1 | 154.2 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | Y43 N46 R47 L106 E107 | Y43-V87 HydrophobicContact CD1-CG2 3.94Å; Y43-V87 HydrophobicContact CD2-CG1 4.1Å; Y43-V87 HydrophobicContact CD2-CG2 4.2Å; Y43-V87 HydrophobicContact CE1-CG2 3.61Å; Y43-V87 HydrophobicContact CE2-CB 4.36Å; Y43-V87 HydrophobicContact CE2-CG1 4.26Å; Y43-V87 HydrophobicContact CE2-CG2 3.93Å; Y43-V87 HydrophobicContact CG-CG2 4.25Å; N46-V87 HydrophobicContact CB-CG1 3.91Å; N46-V87 WeakPolarHBondContact O-CA 3.16Å; R47-V87 VanDerWaalsContact NE-CG2 3.31Å; V87-L106 PolarHBondContact O-N 3.49Å; V87-E107 HydrophobicContact CB-CB 4.39Å; V87-E107 PolarHBondContact N-O 3.01Å; V87-E107 PolarHBondContact O-N 3.06Å |
| 88 | Y | 98.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 168.9 | -176.6 | -78.2 | -97.4 | 0 | 0 | 0 | 113 | N46 E48 A86 H90 P92 F103 Q104 A105 | N46-Y88 VanDerWaalsContact CB-O 3.25Å; N46-Y88 WeakPolarHBondContact CB-O 3.27Å; N46-Y88 PolarHBondContact ND2-O 3.21Å; N46-Y88 PolarHBondContact O-N 2.89Å; E48-Y88 HydrophobicContact CB-CD2 4.09Å; E48-Y88 HydrophobicContact CB-CE2 3.7Å; E48-Y88 WeakPolarHBondContact OE2-CE2 3.23Å; E48-Y88 PolarHBondContact OE2-OH 2.8Å; A86-Y88 HydrophobicContact CB-CD2 4.1Å; A86-Y88 HydrophobicContact CB-CE2 3.73Å; A86-Y88 WeakPolarHBondContact O-CD2 3.39Å; Y88-H90 VanDerWaalsContact CB-O 3.3Å; Y88-H90 WeakPolarHBondContact CB-O 3.15Å; Y88-H90 PolarHBondContact O-N 2.94Å; Y88-P92 HydrophobicContact CD2-CG 4Å; Y88-P92 HydrophobicContact CG-CG 4.48Å; Y88-F103 AromaticContact CD1-CD1 4Å; Y88-F103 HydrophobicContact CD1-CD1 4Å; Y88-F103 HydrophobicContact CD1-CD2 4.06Å; Y88-F103 AromaticContact CD1-CE1 3.46Å; Y88-F103 HydrophobicContact CD1-CE1 3.46Å; Y88-F103 VanDerWaalsContact CD1-CE1 3.46Å; Y88-F103 AromaticContact CD1-CE2 3.52Å; Y88-F103 HydrophobicContact CD1-CE2 3.52Å; Y88-F103 HydrophobicContact CD1-CG 4.28Å; Y88-F103 AromaticContact CD1-CZ 3.18Å; Y88-F103 HydrophobicContact CD1-CZ 3.18Å; Y88-F103 HydrophobicContact CD2-CZ 4.14Å; Y88-F103 HydrophobicContact CE1-CD1 4.09Å; Y88-F103 AromaticContact CE1-CE1 3.42Å; Y88-F103 HydrophobicContact CE1-CE1 3.42Å; Y88-F103 VanDerWaalsContact CE1-CE1 3.42Å; Y88-F103 HydrophobicContact CE1-CE2 4.33Å; Y88-F103 AromaticContact CE1-CZ 3.57Å; Y88-F103 HydrophobicContact CE1-CZ 3.57Å; Y88-F103 HydrophobicContact CE2-CZ 4.44Å; Y88-F103 HydrophobicContact CG-CE1 4.24Å; Y88-F103 AromaticContact CG-CE2 3.69Å; Y88-F103 HydrophobicContact CG-CE2 3.69Å; Y88-F103 AromaticContact CG-CZ 3.51Å; Y88-F103 HydrophobicContact CG-CZ 3.51Å; Y88-Q104 CarbonylContact C-O 3.49Å; Y88-Q104 VanDerWaalsContact CA-O 3.26Å; Y88-Q104 WeakPolarHBondContact CA-O 3.35Å; Y88-Q104 VanDerWaalsContact CD1-C 3.43Å; Y88-Q104 WeakPolarHBondContact CD1-O 3.42Å; Y88-A105 HydrophobicContact CD1-CB 4.23Å; Y88-A105 HydrophobicContact CE1-CB 3.83Å |
| 89 | S | 96.8 | Very high | 97.2 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -64.3 | -27 | 172.3 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | N46 S102 Q104 | N46-S89 PolarHBondContact ND2-O 3.35Å; S89-S102 PolarHBondContact OG-O 3.24Å; S89-Q104 PolarHBondContact N-O 2.59Å; S89-Q104 PolarHBondContact OG-N 3.24Å |
| 90 | H | 97.3 | Very high | 96.8 | Very high | 78 Ų | 78 | 54.3 Ų | 54.3 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -136.1 | 170.7 | 178.8 | -58.5 | 73.5 | 0 | 0 | 0 | 109.3 | Y88 P92 V98 F103 | Y88-H90 VanDerWaalsContact CB-O 3.3Å; Y88-H90 WeakPolarHBondContact CB-O 3.15Å; Y88-H90 PolarHBondContact O-N 2.94Å; H90-P92 VanDerWaalsContact O-CD 3.24Å; H90-P92 WeakPolarHBondContact O-CD 3.42Å; H90-V98 HydrophobicContact CB-CG2 3.84Å; H90-F103 HydrophobicContact CB-CD2 4.23Å |
| 91 | R | 97.9 | Very high | 96.4 | Very high | 87 Ų | 87 | 54.9 Ų | 54.9 | 33% | 0.328 | 30% | 0.298 | S | S | . | . | trans | -61.4 | 122.9 | 173.5 | -63.8 | -173.1 | 175.5 | -174.9 | -0.7 | 110.2 | N46 N93 Q94 H95 | N46-R91 PolarHBondContact OD1-N 3.32Å; R91-N93 WeakPolarHBondContact CB-OD1 3.46Å; R91-N93 PolarHBondContact O-N 3.24Å; R91-Q94 HydrophobicContact CB-CB 4.39Å; R91-Q94 HydrophobicContact CB-CG 4.47Å; R91-Q94 PolarHBondContact O-N 3.26Å; R91-H95 PolarHBondContact O-N 2.72Å | ||
| 92 | P | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -50.8 | -40.2 | 177 | -31.6 | 34.7 | 0 | 0 | 0 | 114.1 | N46 E48 Y61 S63 Y88 H90 Q94 H95 F103 | N46-P92 WeakPolarHBondContact O-CD 3.45Å; E48-P92 HydrophobicContact CB-CB 4.25Å; E48-P92 HydrophobicContact CB-CG 3.9Å; Y61-P92 WeakPolarHBondContact CB-O 3.41Å; Y61-P92 HydrophobicContact CD1-CB 4.33Å; Y61-P92 CarbonylContact O-C 3.14Å; S63-P92 VanDerWaalsContact CB-CD 3.49Å; Y88-P92 HydrophobicContact CD2-CG 4Å; Y88-P92 HydrophobicContact CG-CG 4.48Å; H90-P92 VanDerWaalsContact O-CD 3.24Å; H90-P92 WeakPolarHBondContact O-CD 3.42Å; P92-Q94 PolarHBondContact O-N 3Å; P92-H95 WeakPolarHBondContact O-CB 3.41Å; P92-H95 PolarHBondContact O-N 3.05Å; P92-H95 PolarHBondContact O-ND1 3.42Å; P92-F103 HydrophobicContact CB-CZ 4.36Å |
| 93 | N | 97.1 | Very high | 96.1 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -67.3 | -7.6 | 179.7 | 67 | 6.5 | 0 | 0 | 0 | 114.3 | Y61 S63 R91 | Y61-N93 WeakPolarHBondContact O-CA 3.29Å; Y61-N93 PolarHBondContact O-N 3.21Å; S63-N93 PolarHBondContact O-ND2 2.83Å; S63-N93 VanDerWaalsContact O-ND2 3.07Å; S63-N93 WeakPolarHBondContact OG-CB 3.42Å; S63-N93 PolarHBondContact OG-N 3.38Å; S63-N93 VanDerWaalsContact OG-N 3.08Å; S63-N93 PolarHBondContact OG-ND2 2.75Å; S63-N93 PolarHBondContact OG-OD1 3.05Å; R91-N93 WeakPolarHBondContact CB-OD1 3.46Å; R91-N93 PolarHBondContact O-N 3.24Å |
| 94 | Q | 96.7 | Very high | 96 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -113.1 | 8.4 | 176.3 | -69.4 | 171.3 | -8.4 | 0 | 0 | 112.7 | R91 P92 N96 T97 | R91-Q94 HydrophobicContact CB-CB 4.39Å; R91-Q94 HydrophobicContact CB-CG 4.47Å; R91-Q94 PolarHBondContact O-N 3.26Å; P92-Q94 PolarHBondContact O-N 3Å; Q94-N96 PolarHBondContact O-N 3.1Å; Q94-T97 PolarHBondContact O-N 3.34Å; Q94-T97 PolarHBondContact O-OG1 2.61Å |
| 95 | H | 95.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -54.8 | -33.3 | -174.6 | 72.2 | -75.1 | 0 | 0 | 0 | 113.8 | Y61 R91 P92 T97 V98 F103 | Y61-H95 AromaticContact CD2-CE1 3.55Å; Y61-H95 AromaticContact CD2-ND1 3.97Å; Y61-H95 AromaticContact CD2-NE2 3.62Å; Y61-H95 AromaticContact CG-CE1 3.89Å; Y61-H95 AromaticContact CG-ND1 3.87Å; R91-H95 PolarHBondContact O-N 2.72Å; P92-H95 WeakPolarHBondContact O-CB 3.41Å; P92-H95 PolarHBondContact O-N 3.05Å; P92-H95 PolarHBondContact O-ND1 3.42Å; H95-T97 VanDerWaalsContact C-N 3.26Å; H95-T97 PolarHBondContact O-N 3.26Å; H95-V98 WeakPolarHBondContact O-CB 3.35Å; H95-V98 PolarHBondContact O-N 3.22Å; H95-F103 HydrophobicContact CB-CD1 3.81Å; H95-F103 HydrophobicContact CB-CD2 3.94Å; H95-F103 HydrophobicContact CB-CE1 3.67Å; H95-F103 HydrophobicContact CB-CE2 3.83Å; H95-F103 HydrophobicContact CB-CG 3.94Å; H95-F103 HydrophobicContact CB-CZ 3.69Å |
| 96 | N | 94.6 | Very high | 95.8 | Very high | 139 Ų | 139 | 66.5 Ų | 66.5 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -66.5 | -22.4 | 178.3 | -72.5 | -36.3 | 0 | 0 | 0 | 114.1 | Q94 | Q94-N96 PolarHBondContact O-N 3.1Š|
| 97 | T | 94.8 | Very high | 95.8 | Very high | 119 Ų | 119 | 67.2 Ų | 67.2 | 73% | 0.73 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -92.7 | -5.6 | 177.2 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | Q94 H95 | Q94-T97 PolarHBondContact O-N 3.34Å; Q94-T97 PolarHBondContact O-OG1 2.61Å; H95-T97 VanDerWaalsContact C-N 3.26Å; H95-T97 PolarHBondContact O-N 3.26Å |
| 98 | V | 93.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 67 Ų | 67 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -85.1 | 139 | 179.8 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | H90 H95 S100 F103 | H90-V98 HydrophobicContact CB-CG2 3.84Å; H95-V98 WeakPolarHBondContact O-CB 3.35Å; H95-V98 PolarHBondContact O-N 3.22Å; V98-S100 PolarHBondContact O-N 2.83Å; V98-F103 HydrophobicContact CB-CB 4.33Å; V98-F103 HydrophobicContact CG1-CB 4.03Å |
| 99 | K | 93 | Very high | 95.8 | Very high | 169 Ų | 169 | 66.5 Ų | 66.5 | 74% | 0.735 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 136.1 | 176 | -170.4 | 179.1 | -179.9 | -178.6 | 0 | 110.2 | G101 S102 | K99-G101 PolarHBondContact O-N 2.95Å; K99-S102 VanDerWaalsContact O-CB 3.32Å; K99-S102 WeakPolarHBondContact O-CB 3.26Å; K99-S102 PolarHBondContact O-N 2.85Å |
| 100 | S | 89 | Confident | 95.9 | Very high | 123 Ų | 123 | 64.8 Ų | 64.8 | 86% | 0.86 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 133.3 | 178.3 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | V98 S102 | V98-S100 PolarHBondContact O-N 2.83Å; S100-S102 VanDerWaalsContact C-N 3.31Å; S100-S102 PolarHBondContact O-N 2.96Å |
| 101 | G | 89.6 | Confident | 96 | Very high | 54 Ų | 54 | 61.1 Ų | 61.1 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | -13.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K99 Q104 | K99-G101 PolarHBondContact O-N 2.95Å; G101-Q104 PolarHBondContact O-NE2 3.5Å |
| 102 | S | 94.4 | Very high | 96 | Very high | 52 Ų | 52 | 57 Ų | 57 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -19.5 | 178.9 | -56.1 | 0 | 0 | 0 | 0 | 114 | S89 K99 S100 Q104 | S89-S102 PolarHBondContact OG-O 3.24Å; K99-S102 VanDerWaalsContact O-CB 3.32Å; K99-S102 WeakPolarHBondContact O-CB 3.26Å; K99-S102 PolarHBondContact O-N 2.85Å; S100-S102 VanDerWaalsContact C-N 3.31Å; S100-S102 PolarHBondContact O-N 2.96Å; S102-Q104 PolarHBondContact O-N 3.15Å |
| 103 | F | 96.9 | Very high | 96 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 20% | 0.197 | 33% | 0.33 | C | S | . | . | trans | -81.6 | 106.9 | 172.8 | -175 | -113.6 | 0 | 0 | 0 | 110 | Y61 Y88 H90 P92 H95 V98 | Y61-F103 HydrophobicContact CD1-CE1 4.04Å; Y61-F103 HydrophobicContact CD1-CZ 4.1Å; Y61-F103 AromaticContact CE1-CE1 3.78Å; Y61-F103 HydrophobicContact CE1-CE1 3.78Å; Y61-F103 HydrophobicContact CE1-CZ 4.26Å; Y88-F103 AromaticContact CD1-CD1 4Å; Y88-F103 HydrophobicContact CD1-CD1 4Å; Y88-F103 HydrophobicContact CD1-CD2 4.06Å; Y88-F103 AromaticContact CD1-CE1 3.46Å; Y88-F103 HydrophobicContact CD1-CE1 3.46Å; Y88-F103 VanDerWaalsContact CD1-CE1 3.46Å; Y88-F103 AromaticContact CD1-CE2 3.52Å; Y88-F103 HydrophobicContact CD1-CE2 3.52Å; Y88-F103 HydrophobicContact CD1-CG 4.28Å; Y88-F103 AromaticContact CD1-CZ 3.18Å; Y88-F103 HydrophobicContact CD1-CZ 3.18Å; Y88-F103 HydrophobicContact CD2-CZ 4.14Å; Y88-F103 HydrophobicContact CE1-CD1 4.09Å; Y88-F103 AromaticContact CE1-CE1 3.42Å; Y88-F103 HydrophobicContact CE1-CE1 3.42Å; Y88-F103 VanDerWaalsContact CE1-CE1 3.42Å; Y88-F103 HydrophobicContact CE1-CE2 4.33Å; Y88-F103 AromaticContact CE1-CZ 3.57Å; Y88-F103 HydrophobicContact CE1-CZ 3.57Å; Y88-F103 HydrophobicContact CE2-CZ 4.44Å; Y88-F103 HydrophobicContact CG-CE1 4.24Å; Y88-F103 AromaticContact CG-CE2 3.69Å; Y88-F103 HydrophobicContact CG-CE2 3.69Å; Y88-F103 AromaticContact CG-CZ 3.51Å; Y88-F103 HydrophobicContact CG-CZ 3.51Å; H90-F103 HydrophobicContact CB-CD2 4.23Å; P92-F103 HydrophobicContact CB-CZ 4.36Å; H95-F103 HydrophobicContact CB-CD1 3.81Å; H95-F103 HydrophobicContact CB-CD2 3.94Å; H95-F103 HydrophobicContact CB-CE1 3.67Å; H95-F103 HydrophobicContact CB-CE2 3.83Å; H95-F103 HydrophobicContact CB-CG 3.94Å; H95-F103 HydrophobicContact CB-CZ 3.69Å; V98-F103 HydrophobicContact CB-CB 4.33Å; V98-F103 HydrophobicContact CG1-CB 4.03Å | ||
| 104 | Q | 96.9 | Very high | 96.1 | Very high | 113 Ų | 113 | 55 Ų | 55 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | trans | -134.2 | 141 | -171.7 | -63.5 | -175.5 | -2.2 | 0 | 0 | 110.9 | Y88 S89 G101 S102 L106 | Y88-Q104 CarbonylContact C-O 3.49Å; Y88-Q104 VanDerWaalsContact CA-O 3.26Å; Y88-Q104 WeakPolarHBondContact CA-O 3.35Å; Y88-Q104 VanDerWaalsContact CD1-C 3.43Å; Y88-Q104 WeakPolarHBondContact CD1-O 3.42Å; S89-Q104 PolarHBondContact N-O 2.59Å; S89-Q104 PolarHBondContact OG-N 3.24Å; G101-Q104 PolarHBondContact O-NE2 3.5Å; S102-Q104 PolarHBondContact O-N 3.15Å; Q104-L106 HydrophobicContact CB-CD2 4.39Å | ||
| 105 | A | 97.6 | Very high | 96.1 | Very high | 34 Ų | 34 | 52.2 Ų | 52.2 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 124.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109 | A86 Y88 V316 N317 | A86-A105 HydrophobicContact CB-CB 3.66Å; Y88-A105 HydrophobicContact CD1-CB 4.23Å; Y88-A105 HydrophobicContact CE1-CB 3.83Å; A105-V316 HydrophobicContact CB-CB 4.44Å; A105-V316 HydrophobicContact CB-CG1 4.06Å; A105-N317 HydrophobicContact CB-CB 4.07Å |
| 106 | L | 96.8 | Very high | 96.2 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 48% | 0.482 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -48 | -172.8 | -60.1 | -177.8 | 0 | 0 | 0 | 111.9 | V87 Q104 | V87-L106 PolarHBondContact O-N 3.49Å; Q104-L106 HydrophobicContact CB-CD2 4.39Å |
| 107 | E | 98.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 146.9 | -175.5 | -64.9 | -174.8 | -145.2 | 0 | 0 | 110.6 | Q40 Y43 A86 V87 R180 K181 | Q40-E107 PolarHBondContact NE2-OE1 2.9Å; Y43-E107 HydrophobicContact CE2-CB 4.4Å; Y43-E107 VanDerWaalsContact CE2-OE2 3.24Å; Y43-E107 WeakPolarHBondContact CE2-OE2 3.43Å; Y43-E107 PolarHBondContact OH-OE2 3.36Å; A86-E107 CarbonylContact C-O 3.56Å; A86-E107 WeakPolarHBondContact CA-O 3.49Å; V87-E107 HydrophobicContact CB-CB 4.39Å; V87-E107 PolarHBondContact N-O 3.01Å; V87-E107 PolarHBondContact O-N 3.06Å; E107-R180 VanDerWaalsContact CA-O 3.3Å; E107-R180 WeakPolarHBondContact CA-O 3.26Å; E107-R180 HydrophobicContact CB-CB 4.44Å; E107-K181 HydrophobicContact CG-CG 3.89Å; E107-K181 VanDerWaalsContact OE1-CE 3.25Å; E107-K181 WeakPolarHBondContact OE1-CE 3.45Å |
| 108 | K | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -159.1 | 145.4 | 168.1 | -164.8 | 179.3 | 75.4 | 70.3 | 0 | 108.8 | A86 L110 R180 R187 V316 H318 | A86-K108 HydrophobicContact CB-CB 4.27Å; K108-L110 PolarHBondContact O-N 3.24Å; K108-R180 PolarHBondContact N-O 3.18Å; K108-R180 VanDerWaalsContact O-CA 3.25Å; K108-R180 WeakPolarHBondContact O-CA 3.4Å; K108-R187 PolarHBondContact O-NH1 2.81Å; K108-R187 VanDerWaalsContact O-NH1 3.11Å; K108-R187 PolarHBondContact O-NH2 2.63Å; K108-V316 HydrophobicContact CB-CG1 4.31Å; K108-V316 VanDerWaalsContact CB-O 3.29Å; K108-V316 WeakPolarHBondContact CB-O 3.46Å; K108-V316 WeakPolarHBondContact CD-O 3.46Å; K108-V316 WeakPolarHBondContact CE-O 3.2Å; K108-H318 VanDerWaalsContact CD-O 3.25Å; K108-H318 WeakPolarHBondContact CD-O 3.3Å; K108-H318 WeakPolarHBondContact CE-O 3.19Å | ||
| 109 | E | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -44.4 | 134.9 | 166 | -60.8 | 72.4 | -156.2 | 0 | 0 | 110 | Y34 R47 V111 W173 V174 R180 R187 | Y34-E109 WeakPolarHBondContact CE2-OE1 3.37Å; Y34-E109 VanDerWaalsContact CZ-OE1 3.24Å; Y34-E109 VanDerWaalsContact OH-CD 3.3Å; Y34-E109 VanDerWaalsContact OH-CG 3.23Å; Y34-E109 WeakPolarHBondContact OH-CG 3.33Å; Y34-E109 PolarHBondContact OH-OE1 3.33Å; R47-E109 IonicContact CZ-OE1 2.82Å; R47-E109 IonicContact CZ-OE2 3.43Å; R47-E109 IonicContact NH1-OE1 3.15Å; R47-E109 IonicContact NH1-OE2 3.63Å; R47-E109 PolarHBondContact NH1-OE2 2.78Å; R47-E109 IonicContact NH2-OE1 2.68Å; R47-E109 PolarHBondContact NH2-OE1 3.3Å; R47-E109 IonicContact NH2-OE2 3.66Å; R47-E109 PolarHBondContact NH2-OE2 3.49Å; E109-V111 HydrophobicContact CB-CG1 4.23Å; E109-V111 PolarHBondContact O-N 3.22Å; E109-W173 HydrophobicContact CB-CE3 3.74Å; E109-W173 HydrophobicContact CB-CZ3 4.37Å; E109-W173 HydrophobicContact CG-CE3 3.98Å; E109-V174 WeakPolarHBondContact CA-O 3.16Å; E109-R180 HydrophobicContact CG-CG 4.41Å; E109-R187 PolarHBondContact O-NH1 3.36Å; E109-R187 VanDerWaalsContact O-NH1 3.16Å | ||
| 110 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 127.5 | 167.1 | 168.4 | 69 | 0 | 0 | 0 | 106.5 | K108 F112 F157 V174 A179 L182 R187 V190 | K108-L110 PolarHBondContact O-N 3.24Å; L110-F112 HydrophobicContact CD1-CE2 4.43Å; L110-F112 HydrophobicContact CD1-CZ 4.18Å; L110-F112 HydrophobicContact CD2-CE2 3.88Å; L110-F112 HydrophobicContact CD2-CZ 3.85Å; L110-F112 HydrophobicContact CG-CE2 3.81Å; L110-F112 HydrophobicContact CG-CZ 3.97Å; L110-F157 HydrophobicContact CD2-CE2 4.17Å; L110-V174 HydrophobicContact CB-CB 4.11Å; L110-V174 HydrophobicContact CB-CG2 4.47Å; L110-V174 HydrophobicContact CD2-CG2 4.4Å; L110-V174 HydrophobicContact CG-CG2 4.42Å; L110-V174 PolarHBondContact N-O 3.1Å; L110-V174 WeakPolarHBondContact O-CB 3.45Å; L110-V174 PolarHBondContact O-N 3.34Å; L110-A179 HydrophobicContact CB-CB 4.23Å; L110-L182 HydrophobicContact CD2-CD1 4.07Å; L110-R187 HydrophobicContact CD1-CB 4.4Å; L110-R187 HydrophobicContact CD1-CG 4.14Å; L110-V190 HydrophobicContact CD2-CG1 3.98Å |
| 111 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 148.9 | -172.4 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | E109 C172 W173 V312 S313 L320 | E109-V111 HydrophobicContact CB-CG1 4.23Å; E109-V111 PolarHBondContact O-N 3.22Å; V111-C172 WeakPolarHBondContact CA-O 2.95Å; V111-W173 HydrophobicContact CG1-CD2 3.86Å; V111-W173 HydrophobicContact CG1-CE3 3.61Å; V111-W173 HydrophobicContact CG1-CG 4.4Å; V111-W173 HydrophobicContact CG1-CH2 4.37Å; V111-W173 HydrophobicContact CG1-CZ3 3.89Å; V111-V312 HydrophobicContact CG2-CG1 3.87Å; V111-V312 WeakPolarHBondContact CG2-O 3.28Å; V111-S313 WeakPolarHBondContact O-CA 3.42Å; V111-S313 VanDerWaalsContact O-CB 3.31Å; V111-S313 WeakPolarHBondContact O-CB 3.4Å; V111-S313 PolarHBondContact O-OG 3.29Å; V111-L320 HydrophobicContact CB-CD2 3.6Å; V111-L320 HydrophobicContact CG1-CD2 3.81Å; V111-L320 HydrophobicContact CG2-CD2 3.99Å |
| 112 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.9 | 172.4 | -58.8 | -85.3 | 0 | 0 | 0 | 108.5 | L110 L150 H171 C172 V174 V190 L194 L308 S313 | L110-F112 HydrophobicContact CD1-CE2 4.43Å; L110-F112 HydrophobicContact CD1-CZ 4.18Å; L110-F112 HydrophobicContact CD2-CE2 3.88Å; L110-F112 HydrophobicContact CD2-CZ 3.85Å; L110-F112 HydrophobicContact CG-CE2 3.81Å; L110-F112 HydrophobicContact CG-CZ 3.97Å; F112-L150 HydrophobicContact CD2-CD1 3.91Å; F112-L150 HydrophobicContact CE2-CD1 3.56Å; F112-L150 HydrophobicContact CE2-CD2 3.63Å; F112-L150 HydrophobicContact CE2-CG 4.22Å; F112-L150 HydrophobicContact CZ-CD1 4.32Å; F112-L150 HydrophobicContact CZ-CD2 3.77Å; F112-H171 CarbonylContact O-C 3.53Å; F112-H171 VanDerWaalsContact O-CA 3.24Å; F112-H171 WeakPolarHBondContact O-CA 3.47Å; F112-C172 HydrophobicContact CB-CB 4.19Å; F112-C172 HydrophobicContact CD2-CB 4.15Å; F112-C172 PolarHBondContact N-O 3.01Å; F112-C172 VanDerWaalsContact N-O 3.08Å; F112-C172 PolarHBondContact O-N 2.58Å; F112-V174 HydrophobicContact CD2-CG2 4.42Å; F112-V174 HydrophobicContact CE2-CG2 4.01Å; F112-V190 HydrophobicContact CZ-CG1 4.01Å; F112-L194 HydrophobicContact CD1-CD1 4.49Å; F112-L194 HydrophobicContact CE1-CD1 3.56Å; F112-L194 HydrophobicContact CZ-CD1 3.6Å; F112-L308 HydrophobicContact CD1-CD1 4.4Å; F112-L308 HydrophobicContact CD1-CD2 4.2Å; F112-S313 WeakPolarHBondContact CD1-OG 3.35Å |
| 113 | D | 98.1 | Very high | 96.9 | Very high | 32 Ų | 32 | 29.3 Ų | 29.3 | 17% | 0.171 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.6 | 174.5 | -171.3 | 1.1 | 0 | 0 | 0 | 108.4 | H171 D309 V312 L320 | D113-H171 IonicContact OD1-CD2 3.83Å; D113-H171 PolarHBondContact OD1-CD2 2.65Å; D113-H171 IonicContact OD1-NE2 2.95Å; D113-H171 PolarHBondContact OD1-NE2 3.45Å; D113-H171 IonicContact OD2-NE2 3.26Å; D113-D309 PolarHBondContact O-N 3.38Å; D113-V312 HydrophobicContact CB-CB 4.32Å; D113-V312 HydrophobicContact CB-CG1 3.88Å; D113-V312 HydrophobicContact CB-CG2 4.2Å; D113-L320 HydrophobicContact CB-CD1 4.34Å |
| 114 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 106.9 | -174.2 | -44.9 | 175 | 0 | 0 | 0 | 105.8 | Y119 M139 A142 L146 W162 G169 V170 L308 | I114-Y119 HydrophobicContact CG2-CE2 4.16Å; I114-M139 HydrophobicContact CB-SD 4.42Å; I114-M139 HydrophobicContact CG2-CE 3.75Å; I114-M139 HydrophobicContact CG2-SD 4.03Å; I114-A142 HydrophobicContact CD1-CB 3.77Å; I114-A142 HydrophobicContact CG2-CB 4.16Å; I114-L146 HydrophobicContact CD1-CD1 3.28Å; I114-L146 HydrophobicContact CG1-CD1 4.32Å; I114-W162 HydrophobicContact CD1-CH2 4.22Å; I114-W162 HydrophobicContact CD1-CZ3 3.98Å; I114-G169 CarbonylContact O-C 3.53Å; I114-G169 WeakPolarHBondContact O-CA 3.25Å; I114-V170 HydrophobicContact CB-CG2 4.18Å; I114-V170 HydrophobicContact CD1-CG2 4.09Å; I114-V170 HydrophobicContact CG1-CG2 4.47Å; I114-V170 PolarHBondContact N-O 2.77Å; I114-V170 PolarHBondContact O-N 2.79Å; I114-L308 HydrophobicContact CG1-CD2 4.31Å |
| 115 | D | 97.6 | Very high | 96.8 | Very high | 36 Ų | 36 | 26.5 Ų | 26.5 | 19% | 0.193 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.1 | 178.6 | -164.5 | -58.2 | 0 | 0 | 0 | 110.1 | T117 D118 Y119 R168 | D115-T117 PolarHBondContact O-N 2.84Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.35Å; D115-T117 PolarHBondContact OD1-N 2.77Å; D115-T117 PolarHBondContact OD1-OG1 3.21Å; D115-T117 VanDerWaalsContact OD1-OG1 3.1Å; D115-D118 PolarHBondContact O-N 3.09Å; D115-Y119 WeakPolarHBondContact O-CD2 3.4Å; D115-R168 WeakPolarHBondContact OD1-CD 3.48Å; D115-R168 WeakPolarHBondContact OD1-CG 3.43Å; D115-R168 IonicContact OD1-NE 2.63Å; D115-R168 PolarHBondContact OD1-NE 2.85Å; D115-R168 IonicContact OD2-NE 3.67Å; D115-R168 PolarHBondContact OD2-NE 3.15Å |
| 116 | M | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -61.5 | -22.1 | 177.8 | -159.6 | 71.4 | 67.4 | 0 | 0 | 113.8 | D118 Y119 I131 C135 W136 L138 M139 R168 | M116-D118 PolarHBondContact O-N 3.44Å; M116-Y119 PolarHBondContact O-N 3.23Å; M116-Y119 VanDerWaalsContact O-N 3.08Å; M116-I131 HydrophobicContact CB-CG2 4Å; M116-I131 HydrophobicContact CE-CG2 4.26Å; M116-I131 HydrophobicContact CG-CG2 3.94Å; M116-C135 HydrophobicContact CE-CB 4.33Å; M116-C135 WeakPolarHBondContact CE-O 3.17Å; M116-C135 HydrophobicContact SD-CB 3.94Å; M116-W136 HydrophobicContact CE-CE3 4.1Å; M116-L138 HydrophobicContact SD-CB 4.1Å; M116-L138 HydrophobicContact SD-CD1 3.67Å; M116-L138 HydrophobicContact SD-CG 4.49Å; M116-M139 HydrophobicContact CE-CE 3.86Å; M116-M139 HydrophobicContact CE-CG 3.65Å; M116-M139 HydrophobicContact CE-SD 4.27Å; M116-M139 HydrophobicContact SD-CE 3.99Å; M116-R168 HydrophobicContact CB-CB 4.13Å; M116-R168 WeakPolarHBondContact CB-O 3.33Å; M116-R168 PolarHBondContact N-O 3.48Å; M116-R168 VanDerWaalsContact N-O 3.11Å |
| 117 | T | 95.6 | Very high | 96.5 | Very high | 45 Ų | 45 | 25.4 Ų | 25.4 | 28% | 0.276 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -58.4 | -32.7 | 175.6 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | D115 Y119 D120 A128 | D115-T117 PolarHBondContact O-N 2.84Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.35Å; D115-T117 PolarHBondContact OD1-N 2.77Å; D115-T117 PolarHBondContact OD1-OG1 3.21Å; D115-T117 VanDerWaalsContact OD1-OG1 3.1Å; T117-Y119 PolarHBondContact O-N 3.5Å; T117-D120 PolarHBondContact O-N 3.3Å; T117-A128 WeakPolarHBondContact CG2-O 3.49Å |
| 118 | D | 95.3 | Very high | 96.3 | Very high | 65 Ų | 65 | 27.2 Ų | 27.2 | 35% | 0.348 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -65.9 | -13.7 | -177.9 | -63.4 | -23.6 | 0 | 0 | 0 | 111.3 | D115 M116 R307 | D115-D118 PolarHBondContact O-N 3.09Å; M116-D118 PolarHBondContact O-N 3.44Å; D118-R307 HydrophobicContact CB-CB 3.82Å; D118-R307 WeakPolarHBondContact O-CD 3.45Å; D118-R307 VanDerWaalsContact O-CZ 3.24Å; D118-R307 PolarHBondContact O-NE 3.26Å; D118-R307 PolarHBondContact O-NH1 3.28Å |
| 119 | Y | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -101.4 | 8.3 | -178.1 | -62.7 | -98.6 | 0 | 0 | 0 | 114.3 | I114 D115 M116 T117 D121 V122 R123 L138 M139 Y305 P306 R307 | I114-Y119 HydrophobicContact CG2-CE2 4.16Å; D115-Y119 WeakPolarHBondContact O-CD2 3.4Å; M116-Y119 PolarHBondContact O-N 3.23Å; M116-Y119 VanDerWaalsContact O-N 3.08Å; T117-Y119 PolarHBondContact O-N 3.5Å; Y119-D121 PolarHBondContact O-N 2.95Å; Y119-D121 VanDerWaalsContact O-N 3.15Å; Y119-V122 HydrophobicContact CD1-CG2 4.06Å; Y119-V122 VanDerWaalsContact O-CG2 3.29Å; Y119-V122 WeakPolarHBondContact O-CG2 3.3Å; Y119-V122 PolarHBondContact O-N 3.34Å; Y119-R123 WeakPolarHBondContact O-CG 3.45Å; Y119-R123 PolarHBondContact O-N 3.22Å; Y119-R123 VanDerWaalsContact O-N 3.12Å; Y119-L138 HydrophobicContact CD1-CB 4.48Å; Y119-L138 HydrophobicContact CD1-CD1 3.53Å; Y119-L138 HydrophobicContact CD1-CD2 3.84Å; Y119-L138 HydrophobicContact CD1-CG 4.16Å; Y119-L138 HydrophobicContact CD2-CD1 4.39Å; Y119-L138 HydrophobicContact CE1-CB 4.32Å; Y119-L138 HydrophobicContact CE1-CD1 4.17Å; Y119-L138 HydrophobicContact CE1-CD2 3.86Å; Y119-L138 HydrophobicContact CE1-CG 4.35Å; Y119-L138 HydrophobicContact CG-CD1 3.63Å; Y119-M139 HydrophobicContact CD2-CE 4.31Å; Y119-M139 HydrophobicContact CE2-CE 3.71Å; Y119-Y305 WeakPolarHBondContact CE1-O 3.49Å; Y119-Y305 PolarHBondContact OH-O 3.39Å; Y119-P306 WeakPolarHBondContact OH-CA 3.17Å; Y119-R307 HydrophobicContact CD1-CG 4.33Å; Y119-R307 HydrophobicContact CE1-CG 3.93Å; Y119-R307 HydrophobicContact CE2-CB 4.11Å; Y119-R307 HydrophobicContact CE2-CG 4.3Å; Y119-R307 PolarHBondContact OH-N 3.2Å |
| 120 | D | 94.6 | Very high | 95.9 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 34% | 0.337 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.2 | -175.3 | -86 | -5.9 | 0 | 0 | 0 | 114.6 | T117 V122 R123 A128 | T117-D120 PolarHBondContact O-N 3.3Å; D120-V122 VanDerWaalsContact C-N 3.33Å; D120-V122 PolarHBondContact O-N 3.12Å; D120-R123 IonicContact OD1-CZ 2.72Å; D120-R123 IonicContact OD1-NE 2.67Å; D120-R123 PolarHBondContact OD1-NE 3.27Å; D120-R123 IonicContact OD1-NH2 2.61Å; D120-R123 PolarHBondContact OD1-NH2 3.47Å; D120-A128 PolarHBondContact OD1-N 3.28Å; D120-A128 VanDerWaalsContact OD1-N 3.14Å; D120-A128 WeakPolarHBondContact OD2-CA 3.31Å; D120-A128 PolarHBondContact OD2-N 3.09Å |
| 121 | D | 93.1 | Very high | 95.8 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.9 | 176.6 | 64 | -20.1 | 0 | 0 | 0 | 114 | Y119 K206 R307 | Y119-D121 PolarHBondContact O-N 2.95Å; Y119-D121 VanDerWaalsContact O-N 3.15Å; D121-K206 IonicContact OD2-NZ 3.68Å; D121-K206 PolarHBondContact OD2-NZ 3.14Å; D121-R307 VanDerWaalsContact CG-NH1 3.29Å; D121-R307 IonicContact OD1-CZ 3.02Å; D121-R307 IonicContact OD1-NH1 3.15Å; D121-R307 PolarHBondContact OD1-NH1 3.43Å; D121-R307 IonicContact OD1-NH2 3.91Å; D121-R307 PolarHBondContact OD1-NH2 3.38Å; D121-R307 IonicContact OD2-CZ 3.45Å; D121-R307 IonicContact OD2-NH1 3.61Å; D121-R307 PolarHBondContact OD2-NH1 3.29Å; D121-R307 IonicContact OD2-NH2 3.64Å; D121-R307 PolarHBondContact OD2-NH2 2.81Å |
| 122 | V | 94.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 36 Ų | 36 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 1.1 | -174 | -65.4 | 0 | 0 | 0 | 0 | 114.8 | Y119 D120 Y303 | Y119-V122 HydrophobicContact CD1-CG2 4.06Å; Y119-V122 VanDerWaalsContact O-CG2 3.29Å; Y119-V122 WeakPolarHBondContact O-CG2 3.3Å; Y119-V122 PolarHBondContact O-N 3.34Å; D120-V122 VanDerWaalsContact C-N 3.33Å; D120-V122 PolarHBondContact O-N 3.12Å; V122-Y303 HydrophobicContact CB-CD1 3.67Å; V122-Y303 HydrophobicContact CB-CE1 4.03Å; V122-Y303 HydrophobicContact CB-CG 4.17Å; V122-Y303 HydrophobicContact CG1-CD1 4Å; V122-Y303 HydrophobicContact CG1-CD2 4.43Å; V122-Y303 HydrophobicContact CG1-CE1 4.16Å; V122-Y303 HydrophobicContact CG1-CG 4.15Å |
| 123 | R | 94.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 5% | 0.053 | 25% | 0.25 | C | S | . | . | trans | -115.2 | 144.7 | 173.4 | 71.9 | -167.2 | -175.8 | 134.4 | -1 | 111.2 | Y119 D120 A128 D130 | Y119-R123 WeakPolarHBondContact O-CG 3.45Å; Y119-R123 PolarHBondContact O-N 3.22Å; Y119-R123 VanDerWaalsContact O-N 3.12Å; D120-R123 IonicContact OD1-CZ 2.72Å; D120-R123 IonicContact OD1-NE 2.67Å; D120-R123 PolarHBondContact OD1-NE 3.27Å; D120-R123 IonicContact OD1-NH2 2.61Å; D120-R123 PolarHBondContact OD1-NH2 3.47Å; R123-A128 PolarHBondContact NH2-O 2.9Å; R123-D130 PolarHBondContact NH1-O 3.27Å; R123-D130 PolarHBondContact NH2-O 3.47Å | ||
| 124 | S | 94.5 | Very high | 95.7 | Very high | 58 Ų | 58 | 42.7 Ų | 42.7 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -118.6 | -14.9 | -178.2 | 65.2 | 0 | 0 | 0 | 0 | 113 | Q236 | S124-Q236 PolarHBondContact OG-O 3.24Å; S124-Q236 PolarHBondContact OG-OE1 3.15Å |
| 125 | C | 96.6 | Very high | 95.7 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -80.4 | -23 | -175.7 | 64.8 | 0 | 0 | 0 | 0 | 114.4 | C132 K134 C135 Q236 | C125-C132 PolarHBondContact SG-SG 3.41Å; C125-K134 HydrophobicContact CB-CB 4.37Å; C125-K134 HydrophobicContact CB-CD 4.1Å; C125-C135 VanDerWaalsContact SG-CB 3.57Å; C125-Q236 PolarHBondContact SG-NE2 2.88Å |
| 126 | C | 96.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | trans | -149 | 168 | -178.6 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | D130 I131 | C126-D130 HydrophobicContact CB-CB 4.13Å; C126-D130 WeakPolarHBondContact CB-O 3.45Å; C126-I131 VanDerWaalsContact SG-C 3.56Å | ||
| 127 | S | 91.7 | Very high | 95.8 | Very high | 85 Ų | 85 | 42.9 Ų | 42.9 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | trans | -136.3 | 152.6 | 175.7 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | A129 D130 | S127-A129 PolarHBondContact O-N 2.95Å; S127-D130 PolarHBondContact O-N 3.02Å; S127-D130 VanDerWaalsContact O-N 3.1Å | ||
| 128 | A | 93 | Very high | 95.9 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | -106.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | T117 D120 R123 R168 | T117-A128 WeakPolarHBondContact CG2-O 3.49Å; D120-A128 PolarHBondContact OD1-N 3.28Å; D120-A128 VanDerWaalsContact OD1-N 3.14Å; D120-A128 WeakPolarHBondContact OD2-CA 3.31Å; D120-A128 PolarHBondContact OD2-N 3.09Å; R123-A128 PolarHBondContact NH2-O 2.9Å; A128-R168 PolarHBondContact O-NH1 3.45Å |
| 129 | A | 92.8 | Very high | 96.1 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -7.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S127 R167 | S127-A129 PolarHBondContact O-N 2.95Å; A129-R167 VanDerWaalsContact CB-CZ 3.44Å |
| 130 | D | 95.6 | Very high | 96.2 | Very high | 106 Ų | 106 | 38 Ų | 38 | 57% | 0.567 | 23% | 0.233 | S | C | * | . | trans | -85.1 | 146.5 | -177.3 | -61.9 | -24.9 | 0 | 0 | 0 | 110.4 | R123 C126 S127 | R123-D130 PolarHBondContact NH1-O 3.27Å; R123-D130 PolarHBondContact NH2-O 3.47Å; C126-D130 HydrophobicContact CB-CB 4.13Å; C126-D130 WeakPolarHBondContact CB-O 3.45Å; S127-D130 PolarHBondContact O-N 3.02Å; S127-D130 VanDerWaalsContact O-N 3.1Å | ||
| 131 | I | 97.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.138 | 22% | 0.217 | C | C | . | . | trans | -134.1 | 155.4 | 175.1 | 56.7 | 157.2 | 0 | 0 | 0 | 109.3 | M116 C126 W136 R167 R168 P347 F348 | M116-I131 HydrophobicContact CB-CG2 4Å; M116-I131 HydrophobicContact CE-CG2 4.26Å; M116-I131 HydrophobicContact CG-CG2 3.94Å; C126-I131 VanDerWaalsContact SG-C 3.56Å; I131-W136 HydrophobicContact CD1-CE3 4.08Å; I131-W136 HydrophobicContact CD1-CZ3 4.26Å; I131-R167 WeakPolarHBondContact CD1-O 3.41Å; I131-R168 HydrophobicContact CG2-CB 3.48Å; I131-R168 VanDerWaalsContact CG2-CB 3.48Å; I131-P347 HydrophobicContact CD1-CB 4.02Å; I131-P347 HydrophobicContact CD1-CG 3.84Å; I131-F348 HydrophobicContact CB-CZ 4.43Å; I131-F348 HydrophobicContact CD1-CE1 4.09Å; I131-F348 HydrophobicContact CD1-CZ 3.84Å; I131-F348 HydrophobicContact CG1-CE1 3.97Å; I131-F348 HydrophobicContact CG1-CZ 3.76Å; I131-F348 WeakPolarHBondContact O-CZ 3.47Å | ||
| 132 | C | 97.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 32.5 Ų | 32.5 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | trans | -140.5 | 174.2 | 168.1 | 69.1 | 0 | 0 | 0 | 0 | 108.9 | C125 K134 C135 W136 | C125-C132 PolarHBondContact SG-SG 3.41Å; C132-K134 PolarHBondContact O-N 3.04Å; C132-K134 VanDerWaalsContact O-N 3.15Å; C132-C135 PolarHBondContact N-SG 3.34Å; C132-C135 PolarHBondContact O-N 3.3Å; C132-C135 PolarHBondContact O-SG 3.42Å; C132-W136 PolarHBondContact O-N 3.45Å; C132-W136 VanDerWaalsContact O-N 3.09Å | ||
| 133 | S | 96.6 | Very high | 96.8 | Very high | 89 Ų | 89 | 32.3 Ų | 32.3 | 62% | 0.622 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -56.7 | -30 | 178.5 | 52 | 0 | 0 | 0 | 0 | 113.1 | ||
| 134 | K | 97.9 | Very high | 97 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 37% | 0.365 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.5 | -52 | 178.8 | -61.9 | 179.9 | 163.7 | -162.1 | 0 | 113.2 | C125 C132 W136 T137 Y231 D235 | C125-K134 HydrophobicContact CB-CB 4.37Å; C125-K134 HydrophobicContact CB-CD 4.1Å; C132-K134 PolarHBondContact O-N 3.04Å; C132-K134 VanDerWaalsContact O-N 3.15Å; K134-W136 VanDerWaalsContact C-N 3.31Å; K134-T137 PolarHBondContact O-OG1 3.09Å; K134-Y231 WeakPolarHBondContact O-CD2 3.43Å; K134-Y231 WeakPolarHBondContact O-CE2 3.05Å; K134-D235 HydrophobicContact CB-CB 4.03Å; K134-D235 HydrophobicContact CD-CB 4.03Å; K134-D235 HydrophobicContact CG-CB 3.95Å; K134-D235 PolarHBondContact NZ-O 3.27Å |
| 135 | C | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -76.8 | -20.7 | -179.6 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | M116 C125 C132 T137 L138 | M116-C135 HydrophobicContact CE-CB 4.33Å; M116-C135 WeakPolarHBondContact CE-O 3.17Å; M116-C135 HydrophobicContact SD-CB 3.94Å; C125-C135 VanDerWaalsContact SG-CB 3.57Å; C132-C135 PolarHBondContact N-SG 3.34Å; C132-C135 PolarHBondContact O-N 3.3Å; C132-C135 PolarHBondContact O-SG 3.42Å; C135-T137 PolarHBondContact O-N 3.03Å; C135-T137 VanDerWaalsContact O-N 3.15Å; C135-L138 VanDerWaalsContact O-CB 3.26Å; C135-L138 WeakPolarHBondContact O-CB 3.39Å; C135-L138 PolarHBondContact O-N 2.94Å |
| 136 | W | 98.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 5% | 0.045 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -26.7 | 174.5 | -167.2 | -103.5 | 0 | 0 | 0 | 113.3 | M116 I131 C132 K134 L138 M139 T140 Y164 V170 F345 P347 | M116-W136 HydrophobicContact CE-CE3 4.1Å; I131-W136 HydrophobicContact CD1-CE3 4.08Å; I131-W136 HydrophobicContact CD1-CZ3 4.26Å; C132-W136 PolarHBondContact O-N 3.45Å; C132-W136 VanDerWaalsContact O-N 3.09Å; K134-W136 VanDerWaalsContact C-N 3.31Å; W136-L138 PolarHBondContact O-N 3.09Å; W136-L138 VanDerWaalsContact O-N 3.09Å; W136-M139 HydrophobicContact CD2-CB 4.19Å; W136-M139 HydrophobicContact CD2-CG 4.1Å; W136-M139 HydrophobicContact CE3-CB 4.36Å; W136-M139 HydrophobicContact CE3-CG 3.77Å; W136-M139 HydrophobicContact CH2-CB 4.22Å; W136-M139 HydrophobicContact CH2-CG 3.86Å; W136-M139 HydrophobicContact CZ2-CB 4.05Å; W136-M139 HydrophobicContact CZ2-CG 4.2Å; W136-M139 HydrophobicContact CZ3-CB 4.39Å; W136-M139 HydrophobicContact CZ3-CG 3.66Å; W136-M139 WeakPolarHBondContact O-CB 3.39Å; W136-M139 PolarHBondContact O-N 3.22Å; W136-T140 PolarHBondContact O-N 3.32Å; W136-Y164 AromaticContact CH2-CD2 3.61Å; W136-Y164 HydrophobicContact CH2-CD2 3.61Å; W136-Y164 AromaticContact CH2-CE2 3.7Å; W136-Y164 HydrophobicContact CH2-CE2 3.7Å; W136-Y164 HydrophobicContact CZ2-CD2 4.26Å; W136-Y164 HydrophobicContact CZ3-CD2 4.42Å; W136-Y164 HydrophobicContact CZ3-CE2 4.07Å; W136-V170 HydrophobicContact CH2-CG1 3.81Å; W136-V170 HydrophobicContact CZ2-CG1 3.95Å; W136-F345 AromaticContact CE2-CD1 3.79Å; W136-F345 HydrophobicContact CH2-CE1 4.3Å; W136-F345 AromaticContact CZ2-CD1 3.58Å; W136-F345 HydrophobicContact CZ2-CD1 3.58Å; W136-F345 AromaticContact CZ2-CE1 3.49Å; W136-F345 HydrophobicContact CZ2-CE1 3.49Å; W136-F345 VanDerWaalsContact CZ2-CE1 3.49Å; W136-F345 AromaticContact NE1-CD1 3.57Å; W136-F345 PolarHBondContact NE1-O 2.77Å; W136-P347 HydrophobicContact CD2-CB 4.21Å; W136-P347 HydrophobicContact CD2-CG 3.58Å; W136-P347 HydrophobicContact CE3-CB 4.09Å; W136-P347 HydrophobicContact CE3-CG 3.68Å; W136-P347 HydrophobicContact CG-CG 3.95Å; W136-P347 HydrophobicContact CH2-CB 4.16Å; W136-P347 HydrophobicContact CZ2-CB 4.26Å; W136-P347 HydrophobicContact CZ2-CG 4.45Å; W136-P347 HydrophobicContact CZ3-CB 4.06Å; W136-P347 HydrophobicContact CZ3-CG 4.18Å |
| 137 | T | 98.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.8 | -28.7 | 171.7 | -54.8 | 0 | 0 | 0 | 0 | 112.8 | K134 C135 M139 T140 I141 Y227 Y231 | K134-T137 PolarHBondContact O-OG1 3.09Å; C135-T137 PolarHBondContact O-N 3.03Å; C135-T137 VanDerWaalsContact O-N 3.15Å; T137-M139 VanDerWaalsContact C-N 3.35Å; T137-M139 PolarHBondContact O-N 3.22Å; T137-T140 WeakPolarHBondContact O-CB 3.36Å; T137-T140 PolarHBondContact O-N 3.38Å; T137-I141 HydrophobicContact CG2-CD1 4.15Å; T137-I141 HydrophobicContact CG2-CG1 4.4Å; T137-I141 VanDerWaalsContact O-CG1 3.29Å; T137-I141 WeakPolarHBondContact O-CG1 3.46Å; T137-I141 PolarHBondContact O-N 3.37Å; T137-Y227 HydrophobicContact CG2-CD1 3.67Å; T137-Y227 HydrophobicContact CG2-CE1 4.36Å; T137-Y227 HydrophobicContact CG2-CG 4.31Å; T137-Y231 HydrophobicContact CG2-CD2 4.22Å; T137-Y231 HydrophobicContact CG2-CG 4.3Å |
| 138 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 172.6 | -70.4 | 169.3 | 0 | 0 | 0 | 112.7 | M116 Y119 C135 W136 T140 I141 A142 Y231 Y303 | M116-L138 HydrophobicContact SD-CB 4.1Å; M116-L138 HydrophobicContact SD-CD1 3.67Å; M116-L138 HydrophobicContact SD-CG 4.49Å; Y119-L138 HydrophobicContact CD1-CB 4.48Å; Y119-L138 HydrophobicContact CD1-CD1 3.53Å; Y119-L138 HydrophobicContact CD1-CD2 3.84Å; Y119-L138 HydrophobicContact CD1-CG 4.16Å; Y119-L138 HydrophobicContact CD2-CD1 4.39Å; Y119-L138 HydrophobicContact CE1-CB 4.32Å; Y119-L138 HydrophobicContact CE1-CD1 4.17Å; Y119-L138 HydrophobicContact CE1-CD2 3.86Å; Y119-L138 HydrophobicContact CE1-CG 4.35Å; Y119-L138 HydrophobicContact CG-CD1 3.63Å; C135-L138 VanDerWaalsContact O-CB 3.26Å; C135-L138 WeakPolarHBondContact O-CB 3.39Å; C135-L138 PolarHBondContact O-N 2.94Å; W136-L138 PolarHBondContact O-N 3.09Å; W136-L138 VanDerWaalsContact O-N 3.09Å; L138-T140 VanDerWaalsContact C-N 3.35Å; L138-I141 PolarHBondContact O-N 3.47Å; L138-A142 VanDerWaalsContact O-CB 3.26Å; L138-A142 WeakPolarHBondContact O-CB 3.16Å; L138-A142 PolarHBondContact O-N 3.4Å; L138-Y231 WeakPolarHBondContact CD1-OH 3.24Å; L138-Y231 HydrophobicContact CD2-CE1 3.68Å; L138-Y231 HydrophobicContact CD2-CE2 4.31Å; L138-Y231 WeakPolarHBondContact CD2-OH 3.46Å; L138-Y231 HydrophobicContact CG-CE1 4.22Å; L138-Y231 HydrophobicContact CG-CE2 3.95Å; L138-Y231 VanDerWaalsContact CG-OH 3.26Å; L138-Y231 WeakPolarHBondContact CG-OH 3.49Å; L138-Y303 WeakPolarHBondContact CD2-O 3.49Å |
| 139 | M | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.8 | -38.7 | 175.7 | -59.9 | -60.5 | 97.5 | 0 | 0 | 110.7 | I114 M116 Y119 W136 T137 A142 I143 V170 | I114-M139 HydrophobicContact CB-SD 4.42Å; I114-M139 HydrophobicContact CG2-CE 3.75Å; I114-M139 HydrophobicContact CG2-SD 4.03Å; M116-M139 HydrophobicContact CE-CE 3.86Å; M116-M139 HydrophobicContact CE-CG 3.65Å; M116-M139 HydrophobicContact CE-SD 4.27Å; M116-M139 HydrophobicContact SD-CE 3.99Å; Y119-M139 HydrophobicContact CD2-CE 4.31Å; Y119-M139 HydrophobicContact CE2-CE 3.71Å; W136-M139 HydrophobicContact CD2-CB 4.19Å; W136-M139 HydrophobicContact CD2-CG 4.1Å; W136-M139 HydrophobicContact CE3-CB 4.36Å; W136-M139 HydrophobicContact CE3-CG 3.77Å; W136-M139 HydrophobicContact CH2-CB 4.22Å; W136-M139 HydrophobicContact CH2-CG 3.86Å; W136-M139 HydrophobicContact CZ2-CB 4.05Å; W136-M139 HydrophobicContact CZ2-CG 4.2Å; W136-M139 HydrophobicContact CZ3-CB 4.39Å; W136-M139 HydrophobicContact CZ3-CG 3.66Å; W136-M139 WeakPolarHBondContact O-CB 3.39Å; W136-M139 PolarHBondContact O-N 3.22Å; T137-M139 VanDerWaalsContact C-N 3.35Å; T137-M139 PolarHBondContact O-N 3.22Å; M139-A142 PolarHBondContact O-N 3.17Å; M139-I143 VanDerWaalsContact O-CG1 3.25Å; M139-I143 WeakPolarHBondContact O-CG1 3.34Å; M139-I143 PolarHBondContact O-N 3.03Å; M139-V170 HydrophobicContact CB-CG1 4.25Å; M139-V170 HydrophobicContact CB-CG2 4.48Å; M139-V170 HydrophobicContact CG-CG1 4.47Å; M139-V170 HydrophobicContact SD-CG2 4.09Å |
| 140 | T | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 174.1 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | W136 T137 L138 R144 Y227 V342 E343 | W136-T140 PolarHBondContact O-N 3.32Å; T137-T140 WeakPolarHBondContact O-CB 3.36Å; T137-T140 PolarHBondContact O-N 3.38Å; L138-T140 VanDerWaalsContact C-N 3.35Å; T140-R144 WeakPolarHBondContact O-CG 3.48Å; T140-R144 PolarHBondContact O-N 2.89Å; T140-Y227 HydrophobicContact CG2-CE1 4.26Å; T140-V342 HydrophobicContact CG2-CG1 4.21Å; T140-V342 HydrophobicContact CG2-CG2 4.4Å; T140-E343 HydrophobicContact CG2-CG 4.2Å |
| 141 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.2 | -66.7 | 166.2 | 0 | 0 | 0 | 110.2 | T137 L138 R144 I145 V223 V224 Y227 C304 | T137-I141 HydrophobicContact CG2-CD1 4.15Å; T137-I141 HydrophobicContact CG2-CG1 4.4Å; T137-I141 VanDerWaalsContact O-CG1 3.29Å; T137-I141 WeakPolarHBondContact O-CG1 3.46Å; T137-I141 PolarHBondContact O-N 3.37Å; L138-I141 PolarHBondContact O-N 3.47Å; I141-R144 PolarHBondContact O-N 3.41Å; I141-I145 HydrophobicContact CG2-CD1 3.64Å; I141-I145 HydrophobicContact CG2-CG1 4.37Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 3.28Å; I141-V223 HydrophobicContact CG2-CG1 4.5Å; I141-V224 HydrophobicContact CG2-CG2 4.25Å; I141-Y227 HydrophobicContact CD1-CD2 4.44Å; I141-Y227 HydrophobicContact CD1-CG 4.08Å; I141-Y227 HydrophobicContact CG1-CD1 4.39Å; I141-Y227 HydrophobicContact CG1-CD2 3.76Å; I141-Y227 HydrophobicContact CG1-CE2 4.41Å; I141-Y227 HydrophobicContact CG1-CG 3.77Å; I141-C304 HydrophobicContact CD1-CB 4.06Å; I141-C304 VanDerWaalsContact CG2-O 3.28Å; I141-C304 WeakPolarHBondContact CG2-O 3.47Å |
| 142 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I114 L138 M139 R144 I145 L146 P306 | I114-A142 HydrophobicContact CD1-CB 3.77Å; I114-A142 HydrophobicContact CG2-CB 4.16Å; L138-A142 VanDerWaalsContact O-CB 3.26Å; L138-A142 WeakPolarHBondContact O-CB 3.16Å; L138-A142 PolarHBondContact O-N 3.4Å; M139-A142 PolarHBondContact O-N 3.17Å; A142-R144 PolarHBondContact O-N 3.44Å; A142-I145 PolarHBondContact O-N 3.47Å; A142-L146 WeakPolarHBondContact O-CB 3.47Å; A142-L146 VanDerWaalsContact O-CG 3.26Å; A142-L146 WeakPolarHBondContact O-CG 3.41Å; A142-L146 PolarHBondContact O-N 3.44Å; A142-P306 HydrophobicContact CB-CB 3.91Å |
| 143 | I | 98.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.7 | -49.9 | 175.1 | -67.9 | 165.7 | 0 | 0 | 0 | 110.1 | M139 I145 L146 D147 W162 V170 I337 L339 V342 | M139-I143 VanDerWaalsContact O-CG1 3.25Å; M139-I143 WeakPolarHBondContact O-CG1 3.34Å; M139-I143 PolarHBondContact O-N 3.03Å; I143-I145 PolarHBondContact O-N 2.94Å; I143-L146 PolarHBondContact O-N 2.92Å; I143-D147 WeakPolarHBondContact O-CB 3.5Å; I143-D147 PolarHBondContact O-N 2.96Å; I143-W162 HydrophobicContact CB-CE3 4.46Å; I143-W162 HydrophobicContact CB-CZ3 4.48Å; I143-W162 HydrophobicContact CD1-CE3 4.46Å; I143-W162 HydrophobicContact CG1-CD2 4.04Å; I143-W162 HydrophobicContact CG1-CE3 3.63Å; I143-W162 HydrophobicContact CG1-CH2 4.33Å; I143-W162 HydrophobicContact CG1-CZ3 3.78Å; I143-W162 HydrophobicContact CG2-CD2 4.05Å; I143-W162 HydrophobicContact CG2-CE3 4.49Å; I143-W162 HydrophobicContact CG2-CG 4.33Å; I143-W162 HydrophobicContact CG2-CZ2 4.42Å; I143-V170 HydrophobicContact CD1-CG1 4.22Å; I143-V170 HydrophobicContact CD1-CG2 4.32Å; I143-V170 HydrophobicContact CG1-CG2 4.05Å; I143-I337 HydrophobicContact CD1-CD1 4.12Å; I143-L339 HydrophobicContact CG2-CD2 3.43Å; I143-L339 VanDerWaalsContact CG2-CD2 3.43Å; I143-V342 HydrophobicContact CB-CG2 4.26Å; I143-V342 HydrophobicContact CD1-CG2 3.79Å; I143-V342 HydrophobicContact CG2-CG2 4Å |
| 144 | R | 98.3 | Very high | 97 | Very high | 75 Ų | 75 | 28 Ų | 28 | 28% | 0.283 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.1 | -41.7 | -176.9 | -75.6 | -166.9 | 166.3 | -65.8 | -6.1 | 113 | T140 I141 A142 R148 V223 Y227 V342 E343 | T140-R144 WeakPolarHBondContact O-CG 3.48Å; T140-R144 PolarHBondContact O-N 2.89Å; I141-R144 PolarHBondContact O-N 3.41Å; A142-R144 PolarHBondContact O-N 3.44Å; R144-R148 VanDerWaalsContact O-CB 3.3Å; R144-R148 WeakPolarHBondContact O-CB 3.26Å; R144-R148 PolarHBondContact O-N 3.32Å; R144-V223 HydrophobicContact CB-CG1 3.87Å; R144-Y227 WeakPolarHBondContact CD-OH 3.37Å; R144-Y227 PolarHBondContact NE-OH 2.89Å; R144-Y227 VanDerWaalsContact NE-OH 3.11Å; R144-V342 HydrophobicContact CG-CG1 4.2Å; R144-E343 IonicContact CZ-OE1 2.85Å; R144-E343 IonicContact CZ-OE2 3.21Å; R144-E343 IonicContact NE-OE1 3.43Å; R144-E343 PolarHBondContact NE-OE1 3.49Å; R144-E343 IonicContact NE-OE2 3.9Å; R144-E343 IonicContact NH2-OE1 3.96Å; R144-E343 PolarHBondContact NH2-OE1 2.88Å; R144-E343 IonicContact NH2-OE2 2.71Å; R144-E343 PolarHBondContact NH2-OE2 3.46Å |
| 145 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68 | -49.6 | 179.5 | -72.2 | 174 | 0 | 0 | 0 | 110.8 | I141 A142 I143 S149 V223 V224 Y305 P306 | I141-I145 HydrophobicContact CG2-CD1 3.64Å; I141-I145 HydrophobicContact CG2-CG1 4.37Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 3.28Å; A142-I145 PolarHBondContact O-N 3.47Å; I143-I145 PolarHBondContact O-N 2.94Å; I145-S149 PolarHBondContact O-N 3.48Å; I145-S149 VanDerWaalsContact O-N 3.17Å; I145-V223 HydrophobicContact CD1-CB 4.45Å; I145-V223 HydrophobicContact CG1-CB 3.91Å; I145-V223 HydrophobicContact CG1-CG1 3.96Å; I145-V223 HydrophobicContact CG1-CG2 4.23Å; I145-V224 HydrophobicContact CD1-CG2 3.97Å; I145-Y305 HydrophobicContact CD1-CD2 3.94Å; I145-Y305 HydrophobicContact CD1-CE2 4.22Å; I145-Y305 HydrophobicContact CG2-CE2 3.78Å; I145-P306 HydrophobicContact CB-CG 4.22Å; I145-P306 HydrophobicContact CD1-CG 4.48Å; I145-P306 HydrophobicContact CG2-CG 3.9Å |
| 146 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.8 | -42.5 | -174 | -64 | 170.7 | 0 | 0 | 0 | 111.8 | I114 A142 I143 R148 S149 L150 W162 L194 P306 L308 | I114-L146 HydrophobicContact CD1-CD1 3.28Å; I114-L146 HydrophobicContact CG1-CD1 4.32Å; A142-L146 WeakPolarHBondContact O-CB 3.47Å; A142-L146 VanDerWaalsContact O-CG 3.26Å; A142-L146 WeakPolarHBondContact O-CG 3.41Å; A142-L146 PolarHBondContact O-N 3.44Å; I143-L146 PolarHBondContact O-N 2.92Å; L146-R148 PolarHBondContact O-N 3.48Å; L146-S149 PolarHBondContact O-N 3.26Å; L146-L150 HydrophobicContact CB-CD1 4.47Å; L146-L150 VanDerWaalsContact O-CB 3.3Å; L146-L150 WeakPolarHBondContact O-CB 3.38Å; L146-L150 WeakPolarHBondContact O-CD1 3.41Å; L146-L150 WeakPolarHBondContact O-CG 3.35Å; L146-L150 PolarHBondContact O-N 3.5Å; L146-W162 HydrophobicContact CB-CH2 3.75Å; L146-W162 HydrophobicContact CB-CZ2 3.85Å; L146-W162 HydrophobicContact CD1-CH2 3.87Å; L146-W162 HydrophobicContact CG-CH2 4.47Å; L146-L194 HydrophobicContact CD2-CB 4.14Å; L146-L194 HydrophobicContact CD2-CD1 4.15Å; L146-L194 HydrophobicContact CD2-CD2 4.14Å; L146-L194 HydrophobicContact CD2-CG 4.38Å; L146-P306 HydrophobicContact CD1-CB 3.98Å; L146-P306 HydrophobicContact CD1-CG 4.39Å; L146-P306 HydrophobicContact CD2-CB 4.43Å; L146-P306 HydrophobicContact CD2-CG 4.15Å; L146-P306 HydrophobicContact CG-CB 4.22Å; L146-P306 HydrophobicContact CG-CG 4.07Å; L146-L308 HydrophobicContact CD1-CD2 3.72Å; L146-L308 HydrophobicContact CD2-CD1 4.35Å; L146-L308 HydrophobicContact CD2-CD2 4.16Å |
| 147 | D | 98.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 12% | 0.118 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 177.9 | -172.4 | 78 | 0 | 0 | 0 | 111 | I143 S149 L150 R151 L160 W162 L339 | I143-D147 WeakPolarHBondContact O-CB 3.5Å; I143-D147 PolarHBondContact O-N 2.96Å; D147-S149 VanDerWaalsContact C-N 3.34Å; D147-S149 PolarHBondContact O-N 2.67Å; D147-L150 PolarHBondContact O-N 3.23Å; D147-R151 VanDerWaalsContact CG-NE 3.29Å; D147-R151 VanDerWaalsContact O-CB 3.23Å; D147-R151 WeakPolarHBondContact O-CB 3.42Å; D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-N 2.93Å; D147-R151 VanDerWaalsContact O-N 3.09Å; D147-R151 IonicContact OD1-CZ 3.88Å; D147-R151 IonicContact OD1-NE 2.81Å; D147-R151 PolarHBondContact OD1-NE 2.91Å; D147-R151 IonicContact OD1-NH2 2.58Å; D147-R151 PolarHBondContact OD1-NH2 3.28Å; D147-R151 VanDerWaalsContact OD1-NH2 3.14Å; D147-R151 WeakPolarHBondContact OD2-CD 3.31Å; D147-R151 IonicContact OD2-CZ 2.89Å; D147-R151 IonicContact OD2-NE 3.14Å; D147-R151 PolarHBondContact OD2-NE 3.21Å; D147-R151 IonicContact OD2-NH2 2.65Å; D147-L160 WeakPolarHBondContact OD1-CD2 3.32Å; D147-W162 HydrophobicContact CB-CZ2 4.17Å; D147-W162 PolarHBondContact OD1-NE1 2.89Å; D147-W162 VanDerWaalsContact OD1-NE1 3.11Å; D147-L339 WeakPolarHBondContact OD1-CD1 3.45Å |
| 148 | R | 97.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 32 Ų | 32 | 16% | 0.158 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.6 | -47.5 | 174 | -175.2 | -153.5 | 66 | 70.7 | 6.4 | 111.5 | R144 L146 R151 E153 D154 F216 | R144-R148 VanDerWaalsContact O-CB 3.3Å; R144-R148 WeakPolarHBondContact O-CB 3.26Å; R144-R148 PolarHBondContact O-N 3.32Å; L146-R148 PolarHBondContact O-N 3.48Å; R148-R151 PolarHBondContact O-N 3.45Å; R148-E153 HydrophobicContact CG-CG 4.24Å; R148-D154 IonicContact CZ-OD1 2.93Å; R148-D154 IonicContact CZ-OD2 2.65Å; R148-D154 IonicContact NH1-OD1 3.12Å; R148-D154 PolarHBondContact NH1-OD1 3.26Å; R148-D154 IonicContact NH1-OD2 3.95Å; R148-D154 PolarHBondContact NH1-OD2 2.74Å; R148-D154 IonicContact NH2-OD1 2.88Å; R148-D154 IonicContact NH2-OD2 2.69Å; R148-D154 PolarHBondContact NH2-OD2 3.49Å; R148-F216 VanDerWaalsContact NH2-CD2 3.3Å |
| 149 | S | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -69.3 | -43.9 | -175.7 | -171.8 | 0 | 0 | 0 | 0 | 112.5 | I145 L146 D147 R151 D154 F155 L194 F216 | I145-S149 PolarHBondContact O-N 3.48Å; I145-S149 VanDerWaalsContact O-N 3.17Å; L146-S149 PolarHBondContact O-N 3.26Å; D147-S149 VanDerWaalsContact C-N 3.34Å; D147-S149 PolarHBondContact O-N 2.67Å; S149-R151 PolarHBondContact O-N 3.02Å; S149-D154 VanDerWaalsContact CA-OD2 3.26Å; S149-D154 WeakPolarHBondContact CA-OD2 3.39Å; S149-D154 WeakPolarHBondContact CB-OD2 3.42Å; S149-D154 VanDerWaalsContact O-CB 3.23Å; S149-D154 WeakPolarHBondContact O-CB 3.21Å; S149-D154 PolarHBondContact O-N 2.95Å; S149-D154 PolarHBondContact OG-OD2 3.34Å; S149-F155 WeakPolarHBondContact O-CD2 3.32Å; S149-F155 PolarHBondContact O-N 2.83Å; S149-F155 VanDerWaalsContact O-N 3.12Å; S149-L194 VanDerWaalsContact OG-CD2 3.23Å; S149-L194 WeakPolarHBondContact OG-CD2 3.29Å; S149-F216 WeakPolarHBondContact OG-CD2 3.36Å; S149-F216 VanDerWaalsContact OG-CE2 3.29Å; S149-F216 WeakPolarHBondContact OG-CE2 3.42Å |
| 150 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -66.1 | -26 | -179.8 | -69.9 | 168.8 | 0 | 0 | 0 | 112.6 | F112 L146 D147 F155 F157 L160 V174 V190 L194 | F112-L150 HydrophobicContact CD2-CD1 3.91Å; F112-L150 HydrophobicContact CE2-CD1 3.56Å; F112-L150 HydrophobicContact CE2-CD2 3.63Å; F112-L150 HydrophobicContact CE2-CG 4.22Å; F112-L150 HydrophobicContact CZ-CD1 4.32Å; F112-L150 HydrophobicContact CZ-CD2 3.77Å; L146-L150 HydrophobicContact CB-CD1 4.47Å; L146-L150 VanDerWaalsContact O-CB 3.3Å; L146-L150 WeakPolarHBondContact O-CB 3.38Å; L146-L150 WeakPolarHBondContact O-CD1 3.41Å; L146-L150 WeakPolarHBondContact O-CG 3.35Å; L146-L150 PolarHBondContact O-N 3.5Å; D147-L150 PolarHBondContact O-N 3.23Å; L150-F155 HydrophobicContact CD2-CD2 4.27Å; L150-F157 HydrophobicContact CB-CD2 4.29Å; L150-F157 HydrophobicContact CD2-CD2 4.04Å; L150-F157 HydrophobicContact CD2-CE2 4.2Å; L150-F157 WeakPolarHBondContact O-CA 3.17Å; L150-F157 WeakPolarHBondContact O-CB 3.22Å; L150-F157 VanDerWaalsContact O-CD2 3.28Å; L150-F157 WeakPolarHBondContact O-CD2 3.35Å; L150-F157 PolarHBondContact O-N 3.28Å; L150-L160 HydrophobicContact CB-CD2 3.62Å; L150-L160 HydrophobicContact CD1-CD2 3.89Å; L150-L160 HydrophobicContact CG-CD2 4.43Å; L150-V174 HydrophobicContact CD1-CG2 4.08Å; L150-V174 HydrophobicContact CD2-CG2 4.49Å; L150-V190 HydrophobicContact CD2-CG1 4.35Å; L150-L194 HydrophobicContact CD2-CD1 4.04Å; L150-L194 HydrophobicContact CG-CD1 4.49Å |
| 151 | R | 95.6 | Very high | 96.6 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 24% | 0.238 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -73 | -179.3 | 176.6 | -82.8 | -174.7 | -167.9 | -68.9 | -10.7 | 113 | D147 R148 S149 E153 D154 F155 G156 F157 H158 L160 | D147-R151 VanDerWaalsContact CG-NE 3.29Å; D147-R151 VanDerWaalsContact O-CB 3.23Å; D147-R151 WeakPolarHBondContact O-CB 3.42Å; D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-N 2.93Å; D147-R151 VanDerWaalsContact O-N 3.09Å; D147-R151 IonicContact OD1-CZ 3.88Å; D147-R151 IonicContact OD1-NE 2.81Å; D147-R151 PolarHBondContact OD1-NE 2.91Å; D147-R151 IonicContact OD1-NH2 2.58Å; D147-R151 PolarHBondContact OD1-NH2 3.28Å; D147-R151 VanDerWaalsContact OD1-NH2 3.14Å; D147-R151 WeakPolarHBondContact OD2-CD 3.31Å; D147-R151 IonicContact OD2-CZ 2.89Å; D147-R151 IonicContact OD2-NE 3.14Å; D147-R151 PolarHBondContact OD2-NE 3.21Å; D147-R151 IonicContact OD2-NH2 2.65Å; R148-R151 PolarHBondContact O-N 3.45Å; S149-R151 PolarHBondContact O-N 3.02Å; R151-E153 VanDerWaalsContact C-OE2 3.29Å; R151-E153 WeakPolarHBondContact CB-OE2 3.16Å; R151-E153 PolarHBondContact O-N 2.93Å; R151-D154 PolarHBondContact O-N 3.1Å; R151-F155 PolarHBondContact O-N 3.12Å; R151-F155 VanDerWaalsContact O-N 3.15Å; R151-G156 PolarHBondContact O-N 3.27Å; R151-F157 WeakPolarHBondContact CA-O 3.49Å; R151-H158 PolarHBondContact NH1-O 3.36Å; R151-L160 HydrophobicContact CG-CD1 4.39Å |
| 152 | P | 87.1 | Confident | 96.6 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 53% | 0.526 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -53.9 | -13.8 | -175.6 | -30.1 | 39 | 0 | 0 | 0 | 117.4 | ||
| 153 | E | 88.4 | Confident | 96.7 | Very high | 115 Ų | 115 | 33.4 Ų | 33.4 | 54% | 0.537 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -62 | -44.6 | 175.6 | -64.3 | 79.5 | 174.2 | 0 | 0 | 112.6 | R148 R151 | R148-E153 HydrophobicContact CG-CG 4.24Å; R151-E153 VanDerWaalsContact C-OE2 3.29Å; R151-E153 WeakPolarHBondContact CB-OE2 3.16Å; R151-E153 PolarHBondContact O-N 2.93Å |
| 154 | D | 94.6 | Very high | 96.7 | Very high | 54 Ų | 54 | 33.3 Ų | 33.3 | 29% | 0.289 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -46.2 | 180 | -40.1 | -23.1 | 0 | 0 | 0 | 113.2 | R148 S149 R151 Y193 F216 | R148-D154 IonicContact CZ-OD1 2.93Å; R148-D154 IonicContact CZ-OD2 2.65Å; R148-D154 IonicContact NH1-OD1 3.12Å; R148-D154 PolarHBondContact NH1-OD1 3.26Å; R148-D154 IonicContact NH1-OD2 3.95Å; R148-D154 PolarHBondContact NH1-OD2 2.74Å; R148-D154 IonicContact NH2-OD1 2.88Å; R148-D154 IonicContact NH2-OD2 2.69Å; R148-D154 PolarHBondContact NH2-OD2 3.49Å; S149-D154 VanDerWaalsContact CA-OD2 3.26Å; S149-D154 WeakPolarHBondContact CA-OD2 3.39Å; S149-D154 WeakPolarHBondContact CB-OD2 3.42Å; S149-D154 VanDerWaalsContact O-CB 3.23Å; S149-D154 WeakPolarHBondContact O-CB 3.21Å; S149-D154 PolarHBondContact O-N 2.95Å; S149-D154 PolarHBondContact OG-OD2 3.34Å; R151-D154 PolarHBondContact O-N 3.1Å; D154-Y193 HydrophobicContact CB-CE1 4.45Å; D154-F216 WeakPolarHBondContact OD2-CD2 3.4Å |
| 155 | F | 97.1 | Very high | 96.6 | Very high | 61 Ų | 61 | 30 Ų | 30 | 27% | 0.268 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -20.3 | -173.8 | -72.8 | -77.8 | 0 | 0 | 0 | 116.3 | S149 L150 R151 F157 V190 Y193 L194 | S149-F155 WeakPolarHBondContact O-CD2 3.32Å; S149-F155 PolarHBondContact O-N 2.83Å; S149-F155 VanDerWaalsContact O-N 3.12Å; L150-F155 HydrophobicContact CD2-CD2 4.27Å; R151-F155 PolarHBondContact O-N 3.12Å; R151-F155 VanDerWaalsContact O-N 3.15Å; F155-F157 HydrophobicContact CB-CD2 3.67Å; F155-F157 HydrophobicContact CB-CE2 3.57Å; F155-F157 HydrophobicContact CB-CG 4.5Å; F155-F157 HydrophobicContact CB-CZ 4.31Å; F155-F157 HydrophobicContact CD1-CE2 4.35Å; F155-F157 HydrophobicContact CG-CD2 4.5Å; F155-F157 HydrophobicContact CG-CE2 4.06Å; F155-V190 HydrophobicContact CD1-CG1 4.49Å; F155-V190 HydrophobicContact CD1-CG2 4.2Å; F155-V190 HydrophobicContact CE1-CB 4.22Å; F155-V190 HydrophobicContact CE1-CG1 3.98Å; F155-V190 HydrophobicContact CE1-CG2 3.69Å; F155-V190 HydrophobicContact CE2-CG1 4.13Å; F155-V190 HydrophobicContact CZ-CB 4.28Å; F155-V190 HydrophobicContact CZ-CG1 3.78Å; F155-V190 HydrophobicContact CZ-CG2 4.25Å; F155-Y193 AromaticContact CE2-CD1 3.55Å; F155-Y193 HydrophobicContact CE2-CD1 3.55Å; F155-Y193 AromaticContact CE2-CE1 3.76Å; F155-Y193 HydrophobicContact CE2-CE1 3.76Å; F155-Y193 HydrophobicContact CE2-CG 4.3Å; F155-Y193 AromaticContact CZ-CD1 3.51Å; F155-Y193 HydrophobicContact CZ-CD1 3.51Å; F155-Y193 HydrophobicContact CZ-CD2 4.5Å; F155-Y193 HydrophobicContact CZ-CE1 4.02Å; F155-Y193 AromaticContact CZ-CG 3.79Å; F155-Y193 HydrophobicContact CZ-CG 3.79Å; F155-L194 HydrophobicContact CE2-CD2 4.1Å; F155-L194 HydrophobicContact CE2-CG 4.27Å |
| 156 | G | 96.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 30 Ų | 30 | 32% | 0.32 | 15% | 0.153 | S | C | . | . | trans | 80.8 | 18.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R151 H158 | R151-G156 PolarHBondContact O-N 3.27Å; G156-H158 PolarHBondContact O-CE1 3.3Å; G156-H158 PolarHBondContact O-ND1 3.36Å; G156-H158 VanDerWaalsContact O-ND1 3.08Å | ||
| 157 | F | 97.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | trans | -84.1 | 147.4 | 173.5 | -54.6 | -54 | 0 | 0 | 0 | 111.7 | L110 L150 R151 F155 L160 V174 D176 A179 L182 | L110-F157 HydrophobicContact CD2-CE2 4.17Å; L150-F157 HydrophobicContact CB-CD2 4.29Å; L150-F157 HydrophobicContact CD2-CD2 4.04Å; L150-F157 HydrophobicContact CD2-CE2 4.2Å; L150-F157 WeakPolarHBondContact O-CA 3.17Å; L150-F157 WeakPolarHBondContact O-CB 3.22Å; L150-F157 VanDerWaalsContact O-CD2 3.28Å; L150-F157 WeakPolarHBondContact O-CD2 3.35Å; L150-F157 PolarHBondContact O-N 3.28Å; R151-F157 WeakPolarHBondContact CA-O 3.49Å; F155-F157 HydrophobicContact CB-CD2 3.67Å; F155-F157 HydrophobicContact CB-CE2 3.57Å; F155-F157 HydrophobicContact CB-CG 4.5Å; F155-F157 HydrophobicContact CB-CZ 4.31Å; F155-F157 HydrophobicContact CD1-CE2 4.35Å; F155-F157 HydrophobicContact CG-CD2 4.5Å; F155-F157 HydrophobicContact CG-CE2 4.06Å; F157-L160 HydrophobicContact CB-CD1 3.85Å; F157-V174 HydrophobicContact CB-CG1 3.63Å; F157-V174 HydrophobicContact CD1-CG1 4.02Å; F157-V174 HydrophobicContact CD2-CG1 3.74Å; F157-V174 HydrophobicContact CE2-CG1 4.38Å; F157-V174 HydrophobicContact CG-CG1 3.52Å; F157-D176 HydrophobicContact CD1-CB 3.94Å; F157-A179 HydrophobicContact CD1-CB 3.97Å; F157-A179 HydrophobicContact CE1-CB 3.66Å; F157-A179 HydrophobicContact CZ-CB 4.1Å; F157-L182 HydrophobicContact CZ-CD1 4.3Å | ||
| 158 | H | 95.9 | Very high | 96.5 | Very high | 102 Ų | 102 | 34.1 Ų | 34.1 | 47% | 0.472 | 17% | 0.167 | S | C | . | . | trans | -117.7 | -36.3 | -174.5 | -59.6 | 77.9 | 0 | 0 | 0 | 112 | R151 G156 L160 D176 | R151-H158 PolarHBondContact NH1-O 3.36Å; G156-H158 PolarHBondContact O-CE1 3.3Å; G156-H158 PolarHBondContact O-ND1 3.36Å; G156-H158 VanDerWaalsContact O-ND1 3.08Å; H158-L160 PolarHBondContact O-N 3.27Å; H158-D176 IonicContact CG-OD1 3.5Å; H158-D176 VanDerWaalsContact N-CG 3.31Å; H158-D176 PolarHBondContact N-OD1 2.72Å; H158-D176 PolarHBondContact N-OD2 3.46Å; H158-D176 IonicContact ND1-OD1 2.57Å; H158-D176 PolarHBondContact ND1-OD1 3.2Å | ||
| 159 | H | 97.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | trans | -102.4 | 82.4 | -170.7 | -55 | -55.5 | 0 | 0 | 0 | 110.1 | C175 D176 F408 E411 M412 S415 | H159-C175 HydrophobicContact CB-CB 4Å; H159-C175 WeakPolarHBondContact O-CB 3.29Å; H159-C175 PolarHBondContact O-N 3.25Å; H159-D176 IonicContact CD2-OD1 3.14Å; H159-D176 PolarHBondContact N-OD2 3.49Å; H159-F408 HydrophobicContact CB-CE2 4.1Å; H159-E411 PolarHBondContact CE1-O 2.72Å; H159-M412 HydrophobicContact CB-CG 3.91Å; H159-S415 PolarHBondContact CE1-OG 2.96Å; H159-S415 VanDerWaalsContact NE2-CB 3.34Å; H159-S415 WeakPolarHBondContact NE2-CB 3.45Å; H159-S415 PolarHBondContact NE2-OG 3.19Å | ||
| 160 | L | 98.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.3 | 177.5 | -70.1 | 73.8 | 0 | 0 | 0 | 110.1 | D147 L150 R151 F157 H158 W173 V174 | D147-L160 WeakPolarHBondContact OD1-CD2 3.32Å; L150-L160 HydrophobicContact CB-CD2 3.62Å; L150-L160 HydrophobicContact CD1-CD2 3.89Å; L150-L160 HydrophobicContact CG-CD2 4.43Å; R151-L160 HydrophobicContact CG-CD1 4.39Å; F157-L160 HydrophobicContact CB-CD1 3.85Å; H158-L160 PolarHBondContact O-N 3.27Å; L160-W173 WeakPolarHBondContact CA-O 3.39Å; L160-V174 HydrophobicContact CG-CG2 4.31Å |
| 161 | L | 98.7 | Very high | 96.6 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 105.5 | 173.4 | 178.9 | 70 | 0 | 0 | 0 | 109.7 | W31 V163 W173 P323 P336 F405 F408 | W31-L161 HydrophobicContact CH2-CD2 4.4Å; W31-L161 HydrophobicContact CZ2-CD2 4.08Å; L161-V163 HydrophobicContact CD1-CG2 4.44Å; L161-V163 HydrophobicContact CD2-CG2 4.05Å; L161-V163 HydrophobicContact CG-CG2 3.72Å; L161-W173 HydrophobicContact CB-CB 4.23Å; L161-W173 PolarHBondContact N-O 3.46Å; L161-W173 PolarHBondContact O-N 2.92Å; L161-P323 HydrophobicContact CD2-CG 4.18Å; L161-P336 HydrophobicContact CD1-CB 3.98Å; L161-P336 HydrophobicContact CD1-CG 4.21Å; L161-F405 HydrophobicContact CD1-CD2 4.08Å; L161-F405 HydrophobicContact CD2-CD2 4.14Å; L161-F405 HydrophobicContact CD2-CE2 3.76Å; L161-F408 HydrophobicContact CB-CD1 4.39Å; L161-F408 HydrophobicContact CB-CD2 4.23Å; L161-F408 HydrophobicContact CB-CE1 3.95Å; L161-F408 HydrophobicContact CB-CE2 3.8Å; L161-F408 HydrophobicContact CB-CG 4.49Å; L161-F408 HydrophobicContact CB-CZ 3.64Å; L161-F408 HydrophobicContact CD1-CB 4.48Å; L161-F408 HydrophobicContact CD1-CD1 4.08Å; L161-F408 HydrophobicContact CD1-CD2 4.48Å; L161-F408 HydrophobicContact CD1-CE1 4.41Å; L161-F408 HydrophobicContact CD1-CG 4.1Å; L161-F408 HydrophobicContact CD2-CD1 4.47Å; L161-F408 HydrophobicContact CD2-CE1 4.13Å; L161-F408 HydrophobicContact CG-CE1 4.39Å |
| 162 | W | 98.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.011 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 133.9 | 171.5 | -71.8 | 89.7 | 0 | 0 | 0 | 110.7 | I114 I143 L146 D147 V170 H171 C172 P336 I337 L339 | I114-W162 HydrophobicContact CD1-CH2 4.22Å; I114-W162 HydrophobicContact CD1-CZ3 3.98Å; I143-W162 HydrophobicContact CB-CE3 4.46Å; I143-W162 HydrophobicContact CB-CZ3 4.48Å; I143-W162 HydrophobicContact CD1-CE3 4.46Å; I143-W162 HydrophobicContact CG1-CD2 4.04Å; I143-W162 HydrophobicContact CG1-CE3 3.63Å; I143-W162 HydrophobicContact CG1-CH2 4.33Å; I143-W162 HydrophobicContact CG1-CZ3 3.78Å; I143-W162 HydrophobicContact CG2-CD2 4.05Å; I143-W162 HydrophobicContact CG2-CE3 4.49Å; I143-W162 HydrophobicContact CG2-CG 4.33Å; I143-W162 HydrophobicContact CG2-CZ2 4.42Å; L146-W162 HydrophobicContact CB-CH2 3.75Å; L146-W162 HydrophobicContact CB-CZ2 3.85Å; L146-W162 HydrophobicContact CD1-CH2 3.87Å; L146-W162 HydrophobicContact CG-CH2 4.47Å; D147-W162 HydrophobicContact CB-CZ2 4.17Å; D147-W162 PolarHBondContact OD1-NE1 2.89Å; D147-W162 VanDerWaalsContact OD1-NE1 3.11Å; W162-V170 HydrophobicContact CE3-CB 4.46Å; W162-V170 HydrophobicContact CE3-CG2 4.2Å; W162-V170 HydrophobicContact CZ3-CG2 4.01Å; W162-H171 CarbonylContact C-O 3.52Å; W162-H171 WeakPolarHBondContact CA-O 3.2Å; W162-C172 HydrophobicContact CD2-CB 3.8Å; W162-C172 HydrophobicContact CE3-CB 3.69Å; W162-C172 HydrophobicContact CH2-CB 3.7Å; W162-C172 HydrophobicContact CZ2-CB 3.8Å; W162-C172 HydrophobicContact CZ3-CB 3.66Å; W162-P336 CarbonylContact O-C 3.44Å; W162-P336 WeakPolarHBondContact O-CA 3.31Å; W162-I337 HydrophobicContact CB-CB 4.29Å; W162-I337 PolarHBondContact O-N 3.34Å; W162-L339 HydrophobicContact CB-CD2 4.3Å; W162-L339 HydrophobicContact CG-CD2 4.02Å |
| 163 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131.4 | -170.8 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | L161 V170 H171 P323 S334 V335 | L161-V163 HydrophobicContact CD1-CG2 4.44Å; L161-V163 HydrophobicContact CD2-CG2 4.05Å; L161-V163 HydrophobicContact CG-CG2 3.72Å; V163-V170 CarbonylContact O-C 3.59Å; V163-V170 VanDerWaalsContact O-CA 3.32Å; V163-V170 WeakPolarHBondContact O-CA 3.21Å; V163-H171 PolarHBondContact N-O 2.87Å; V163-H171 PolarHBondContact O-N 3.46Å; V163-P323 HydrophobicContact CG1-CB 4.11Å; V163-P323 HydrophobicContact CG1-CG 4.41Å; V163-P323 HydrophobicContact CG2-CB 4.24Å; V163-P323 HydrophobicContact CG2-CG 4.02Å; V163-S334 WeakPolarHBondContact CG1-O 3.18Å; V163-V335 WeakPolarHBondContact CA-O 3.38Å |
| 164 | Y | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 135.4 | 170.6 | 172.5 | -124.1 | 0 | 0 | 0 | 110.9 | W136 G166 R167 G169 R332 S334 V335 F345 P347 V350 | W136-Y164 AromaticContact CH2-CD2 3.61Å; W136-Y164 HydrophobicContact CH2-CD2 3.61Å; W136-Y164 AromaticContact CH2-CE2 3.7Å; W136-Y164 HydrophobicContact CH2-CE2 3.7Å; W136-Y164 HydrophobicContact CZ2-CD2 4.26Å; W136-Y164 HydrophobicContact CZ3-CD2 4.42Å; W136-Y164 HydrophobicContact CZ3-CE2 4.07Å; Y164-G166 VanDerWaalsContact CE1-C 3.43Å; Y164-G166 PolarHBondContact O-N 2.75Å; Y164-G166 VanDerWaalsContact O-N 3.15Å; Y164-G166 PolarHBondContact OH-O 3.3Å; Y164-R167 VanDerWaalsContact CZ-N 3.31Å; Y164-R167 WeakPolarHBondContact OH-CA 3.45Å; Y164-R167 PolarHBondContact OH-N 3.19Å; Y164-R167 PolarHBondContact OH-O 3.45Å; Y164-G169 WeakPolarHBondContact CD2-O 3.45Å; Y164-R332 HydrophobicContact CE1-CB 4.11Å; Y164-R332 WeakPolarHBondContact OH-CD 3.46Å; Y164-S334 CarbonylContact O-C 3.52Å; Y164-S334 WeakPolarHBondContact O-CA 3.38Å; Y164-S334 VanDerWaalsContact O-CB 3.24Å; Y164-S334 WeakPolarHBondContact O-CB 3.22Å; Y164-V335 HydrophobicContact CD1-CG2 4.49Å; Y164-V335 PolarHBondContact N-O 2.82Å; Y164-F345 HydrophobicContact CD1-CZ 4.39Å; Y164-F345 HydrophobicContact CD2-CE1 4.14Å; Y164-F345 HydrophobicContact CD2-CZ 4.28Å; Y164-F345 HydrophobicContact CG-CE1 4.2Å; Y164-F345 AromaticContact CG-CZ 3.86Å; Y164-F345 HydrophobicContact CG-CZ 3.86Å; Y164-P347 HydrophobicContact CE2-CB 3.76Å; Y164-V350 HydrophobicContact CD1-CB 4.26Å; Y164-V350 HydrophobicContact CD1-CG1 3.88Å; Y164-V350 HydrophobicContact CD1-CG2 3.88Å; Y164-V350 HydrophobicContact CE1-CB 4.09Å; Y164-V350 HydrophobicContact CE1-CG1 3.96Å; Y164-V350 HydrophobicContact CE1-CG2 4.01Å |
| 165 | S | 98.1 | Very high | 98 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | trans | -73 | -5.7 | -176.4 | 76.1 | 0 | 0 | 0 | 0 | 114.7 | R167 R168 G169 H171 K321 | S165-R167 VanDerWaalsContact C-N 3.35Å; S165-R168 PolarHBondContact OG-N 3.16Å; S165-G169 WeakPolarHBondContact CB-O 3.26Å; S165-G169 PolarHBondContact N-O 3.49Å; S165-G169 WeakPolarHBondContact OG-CA 3.25Å; S165-G169 PolarHBondContact OG-N 2.89Å; S165-G169 PolarHBondContact OG-O 2.73Å; S165-H171 VanDerWaalsContact CB-NE2 3.34Å; S165-H171 WeakPolarHBondContact CB-NE2 3.41Å; S165-K321 WeakPolarHBondContact O-CD 3.5Å; S165-K321 PolarHBondContact O-NZ 2.99Å | ||
| 166 | G | 97.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | 88.4 | -3.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y164 T330 R332 | Y164-G166 VanDerWaalsContact CE1-C 3.43Å; Y164-G166 PolarHBondContact O-N 2.75Å; Y164-G166 VanDerWaalsContact O-N 3.15Å; Y164-G166 PolarHBondContact OH-O 3.3Å; G166-T330 PolarHBondContact O-OG1 2.96Å; G166-R332 WeakPolarHBondContact O-CB 3.38Å |
| 167 | R | 96.7 | Very high | 97.9 | Very high | 58 Ų | 58 | 16.8 Ų | 16.8 | 22% | 0.219 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -140.6 | -74.9 | 175.9 | -171.7 | 176.5 | -171.6 | -177 | 7.3 | 113.8 | A129 I131 Y164 S165 T330 | A129-R167 VanDerWaalsContact CB-CZ 3.44Å; I131-R167 WeakPolarHBondContact CD1-O 3.41Å; Y164-R167 VanDerWaalsContact CZ-N 3.31Å; Y164-R167 WeakPolarHBondContact OH-CA 3.45Å; Y164-R167 PolarHBondContact OH-N 3.19Å; Y164-R167 PolarHBondContact OH-O 3.45Å; S165-R167 VanDerWaalsContact C-N 3.35Å; R167-T330 HydrophobicContact CB-CG2 4.23Å; R167-T330 HydrophobicContact CG-CG2 3.95Å |
| 168 | R | 97 | Very high | 97.8 | Very high | 49 Ų | 49 | 19.4 Ų | 19.4 | 19% | 0.185 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -141 | 13.9 | -162.9 | 61.5 | -179 | 156.7 | -173 | -21.1 | 114.1 | D115 M116 A128 I131 S165 | D115-R168 WeakPolarHBondContact OD1-CD 3.48Å; D115-R168 WeakPolarHBondContact OD1-CG 3.43Å; D115-R168 IonicContact OD1-NE 2.63Å; D115-R168 PolarHBondContact OD1-NE 2.85Å; D115-R168 IonicContact OD2-NE 3.67Å; D115-R168 PolarHBondContact OD2-NE 3.15Å; M116-R168 HydrophobicContact CB-CB 4.13Å; M116-R168 WeakPolarHBondContact CB-O 3.33Å; M116-R168 PolarHBondContact N-O 3.48Å; M116-R168 VanDerWaalsContact N-O 3.11Å; A128-R168 PolarHBondContact O-NH1 3.45Å; I131-R168 HydrophobicContact CG2-CB 3.48Å; I131-R168 VanDerWaalsContact CG2-CB 3.48Å; S165-R168 PolarHBondContact OG-N 3.16Å |
| 169 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 179.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I114 Y164 S165 | I114-G169 CarbonylContact O-C 3.53Å; I114-G169 WeakPolarHBondContact O-CA 3.25Å; Y164-G169 WeakPolarHBondContact CD2-O 3.45Å; S165-G169 WeakPolarHBondContact CB-O 3.26Å; S165-G169 PolarHBondContact N-O 3.49Å; S165-G169 WeakPolarHBondContact OG-CA 3.25Å; S165-G169 PolarHBondContact OG-N 2.89Å; S165-G169 PolarHBondContact OG-O 2.73Å |
| 170 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.9 | 177 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | I114 W136 M139 I143 W162 V163 I337 | I114-V170 HydrophobicContact CB-CG2 4.18Å; I114-V170 HydrophobicContact CD1-CG2 4.09Å; I114-V170 HydrophobicContact CG1-CG2 4.47Å; I114-V170 PolarHBondContact N-O 2.77Å; I114-V170 PolarHBondContact O-N 2.79Å; W136-V170 HydrophobicContact CH2-CG1 3.81Å; W136-V170 HydrophobicContact CZ2-CG1 3.95Å; M139-V170 HydrophobicContact CB-CG1 4.25Å; M139-V170 HydrophobicContact CB-CG2 4.48Å; M139-V170 HydrophobicContact CG-CG1 4.47Å; M139-V170 HydrophobicContact SD-CG2 4.09Å; I143-V170 HydrophobicContact CD1-CG1 4.22Å; I143-V170 HydrophobicContact CD1-CG2 4.32Å; I143-V170 HydrophobicContact CG1-CG2 4.05Å; W162-V170 HydrophobicContact CE3-CB 4.46Å; W162-V170 HydrophobicContact CE3-CG2 4.2Å; W162-V170 HydrophobicContact CZ3-CG2 4.01Å; V163-V170 CarbonylContact O-C 3.59Å; V163-V170 VanDerWaalsContact O-CA 3.32Å; V163-V170 WeakPolarHBondContact O-CA 3.21Å; V170-I337 HydrophobicContact CB-CD1 4.44Å; V170-I337 HydrophobicContact CG1-CD1 3.7Å |
| 171 | H | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 3% | 0.032 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.5 | 175.3 | -52.5 | 153.6 | 0 | 0 | 0 | 109.2 | F112 D113 W162 V163 S165 L320 | F112-H171 CarbonylContact O-C 3.53Å; F112-H171 VanDerWaalsContact O-CA 3.24Å; F112-H171 WeakPolarHBondContact O-CA 3.47Å; D113-H171 IonicContact OD1-CD2 3.83Å; D113-H171 PolarHBondContact OD1-CD2 2.65Å; D113-H171 IonicContact OD1-NE2 2.95Å; D113-H171 PolarHBondContact OD1-NE2 3.45Å; D113-H171 IonicContact OD2-NE2 3.26Å; W162-H171 CarbonylContact C-O 3.52Å; W162-H171 WeakPolarHBondContact CA-O 3.2Å; V163-H171 PolarHBondContact N-O 2.87Å; V163-H171 PolarHBondContact O-N 3.46Å; S165-H171 VanDerWaalsContact CB-NE2 3.34Å; S165-H171 WeakPolarHBondContact CB-NE2 3.41Å; H171-L320 HydrophobicContact CB-CD2 4.1Å |
| 172 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.9 | 167.4 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | V111 F112 W162 | V111-C172 WeakPolarHBondContact CA-O 2.95Å; F112-C172 HydrophobicContact CB-CB 4.19Å; F112-C172 HydrophobicContact CD2-CB 4.15Å; F112-C172 PolarHBondContact N-O 3.01Å; F112-C172 VanDerWaalsContact N-O 3.08Å; F112-C172 PolarHBondContact O-N 2.58Å; W162-C172 HydrophobicContact CD2-CB 3.8Å; W162-C172 HydrophobicContact CE3-CB 3.69Å; W162-C172 HydrophobicContact CH2-CB 3.7Å; W162-C172 HydrophobicContact CZ2-CB 3.8Å; W162-C172 HydrophobicContact CZ3-CB 3.66Å |
| 173 | W | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 108.5 | 170.1 | -61.4 | 76.7 | 0 | 0 | 0 | 109 | W31 I84 E109 V111 L160 L161 L320 K321 | W31-W173 AromaticContact CH2-CD2 3.93Å; W31-W173 HydrophobicContact CH2-CD2 3.93Å; W31-W173 AromaticContact CH2-CE3 3.99Å; W31-W173 HydrophobicContact CH2-CE3 3.99Å; W31-W173 HydrophobicContact CH2-CG 4.31Å; W31-W173 HydrophobicContact CH2-CZ3 4.46Å; W31-W173 HydrophobicContact CZ2-CB 4.21Å; W31-W173 HydrophobicContact CZ2-CD2 4.01Å; W31-W173 AromaticContact CZ2-CE3 3.98Å; W31-W173 HydrophobicContact CZ2-CE3 3.98Å; W31-W173 HydrophobicContact CZ2-CG 4.11Å; I84-W173 HydrophobicContact CB-CH2 3.82Å; I84-W173 HydrophobicContact CB-CZ3 4.24Å; I84-W173 HydrophobicContact CD1-CH2 4.15Å; I84-W173 HydrophobicContact CD1-CZ2 4.5Å; I84-W173 HydrophobicContact CG1-CH2 4.41Å; I84-W173 HydrophobicContact CG2-CH2 4.48Å; I84-W173 HydrophobicContact CG2-CZ3 4.41Å; E109-W173 HydrophobicContact CB-CE3 3.74Å; E109-W173 HydrophobicContact CB-CZ3 4.37Å; E109-W173 HydrophobicContact CG-CE3 3.98Å; V111-W173 HydrophobicContact CG1-CD2 3.86Å; V111-W173 HydrophobicContact CG1-CE3 3.61Å; V111-W173 HydrophobicContact CG1-CG 4.4Å; V111-W173 HydrophobicContact CG1-CH2 4.37Å; V111-W173 HydrophobicContact CG1-CZ3 3.89Å; L160-W173 WeakPolarHBondContact CA-O 3.39Å; L161-W173 HydrophobicContact CB-CB 4.23Å; L161-W173 PolarHBondContact N-O 3.46Å; L161-W173 PolarHBondContact O-N 2.92Å; W173-L320 HydrophobicContact CH2-CB 3.77Å; W173-L320 HydrophobicContact CH2-CD2 4.28Å; W173-L320 HydrophobicContact CH2-CG 4.28Å; W173-L320 HydrophobicContact CZ2-CB 3.76Å; W173-L320 HydrophobicContact CZ2-CD2 3.72Å; W173-L320 HydrophobicContact CZ2-CG 3.76Å; W173-K321 WeakPolarHBondContact CZ2-O 3.39Å |
| 174 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 108.9 | 173.6 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | E109 L110 F112 L150 F157 L160 A179 | E109-V174 WeakPolarHBondContact CA-O 3.16Å; L110-V174 HydrophobicContact CB-CB 4.11Å; L110-V174 HydrophobicContact CB-CG2 4.47Å; L110-V174 HydrophobicContact CD2-CG2 4.4Å; L110-V174 HydrophobicContact CG-CG2 4.42Å; L110-V174 PolarHBondContact N-O 3.1Å; L110-V174 WeakPolarHBondContact O-CB 3.45Å; L110-V174 PolarHBondContact O-N 3.34Å; F112-V174 HydrophobicContact CD2-CG2 4.42Å; F112-V174 HydrophobicContact CE2-CG2 4.01Å; L150-V174 HydrophobicContact CD1-CG2 4.08Å; L150-V174 HydrophobicContact CD2-CG2 4.49Å; F157-V174 HydrophobicContact CB-CG1 3.63Å; F157-V174 HydrophobicContact CD1-CG1 4.02Å; F157-V174 HydrophobicContact CD2-CG1 3.74Å; F157-V174 HydrophobicContact CE2-CG1 4.38Å; F157-V174 HydrophobicContact CG-CG1 3.52Å; L160-V174 HydrophobicContact CG-CG2 4.31Å; V174-A179 HydrophobicContact CB-CB 4.18Å; V174-A179 HydrophobicContact CG1-CB 3.64Å |
| 175 | C | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -103.2 | 3.5 | -166.6 | -69.1 | 0 | 0 | 0 | 0 | 113.5 | W31 Y34 H159 R180 F408 M412 | W31-C175 PolarHBondContact NE1-SG 2.91Å; Y34-C175 HydrophobicContact CE1-CB 4.14Å; Y34-C175 PolarHBondContact OH-SG 3.09Å; Y34-C175 VanDerWaalsContact OH-SG 3.38Å; H159-C175 HydrophobicContact CB-CB 4Å; H159-C175 WeakPolarHBondContact O-CB 3.29Å; H159-C175 PolarHBondContact O-N 3.25Å; C175-R180 PolarHBondContact O-NH1 3.25Å; C175-F408 HydrophobicContact CB-CZ 3.97Å; C175-M412 HydrophobicContact CB-CE 4.37Å; C175-M412 HydrophobicContact CB-SD 4.13Å | ||
| 176 | D | 96.5 | Very high | 97.5 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | trans | -57.2 | 142.2 | 171.4 | -67.7 | -114.6 | 0 | 0 | 0 | 111.3 | F157 H158 H159 A178 A179 R180 | F157-D176 HydrophobicContact CD1-CB 3.94Å; H158-D176 IonicContact CG-OD1 3.5Å; H158-D176 VanDerWaalsContact N-CG 3.31Å; H158-D176 PolarHBondContact N-OD1 2.72Å; H158-D176 PolarHBondContact N-OD2 3.46Å; H158-D176 IonicContact ND1-OD1 2.57Å; H158-D176 PolarHBondContact ND1-OD1 3.2Å; H159-D176 IonicContact CD2-OD1 3.14Å; H159-D176 PolarHBondContact N-OD2 3.49Å; D176-A178 PolarHBondContact O-N 3.07Å; D176-A179 HydrophobicContact CB-CB 4.11Å; D176-A179 WeakPolarHBondContact O-CA 3.04Å; D176-A179 WeakPolarHBondContact O-CB 3.26Å; D176-A179 PolarHBondContact O-N 3.22Å; D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.45Å | ||
| 177 | E | 94.8 | Very high | 97.5 | Very high | 60 Ų | 60 | 29.8 Ų | 29.8 | 28% | 0.28 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.2 | -40.1 | 179.1 | -174.1 | -171.1 | 170.2 | 0 | 0 | 112.2 | A179 R180 K181 K419 | E177-A179 VanDerWaalsContact C-N 3.34Å; E177-A179 PolarHBondContact O-N 2.81Å; E177-R180 PolarHBondContact O-N 3.12Å; E177-K181 HydrophobicContact CG-CD 4.19Å; E177-K181 WeakPolarHBondContact O-CG 3.35Å; E177-K181 PolarHBondContact O-N 3.15Å; E177-K181 VanDerWaalsContact O-N 3.16Å; E177-K181 IonicContact OE1-NZ 3.87Å; E177-K181 PolarHBondContact OE1-NZ 3.5Å; E177-K419 IonicContact OE2-NZ 3.91Å; E177-K419 PolarHBondContact OE2-NZ 3.02Å |
| 178 | A | 95.6 | Very high | 97.5 | Very high | 69 Ų | 69 | 28.3 Ų | 28.3 | 57% | 0.57 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -62.3 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D176 K181 L182 | D176-A178 PolarHBondContact O-N 3.07Å; A178-K181 PolarHBondContact O-N 3.18Å; A178-L182 WeakPolarHBondContact O-CG 2.95Å; A178-L182 PolarHBondContact O-N 3.03Å |
| 179 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L110 F157 V174 D176 E177 K181 L182 R187 | L110-A179 HydrophobicContact CB-CB 4.23Å; F157-A179 HydrophobicContact CD1-CB 3.97Å; F157-A179 HydrophobicContact CE1-CB 3.66Å; F157-A179 HydrophobicContact CZ-CB 4.1Å; V174-A179 HydrophobicContact CB-CB 4.18Å; V174-A179 HydrophobicContact CG1-CB 3.64Å; D176-A179 HydrophobicContact CB-CB 4.11Å; D176-A179 WeakPolarHBondContact O-CA 3.04Å; D176-A179 WeakPolarHBondContact O-CB 3.26Å; D176-A179 PolarHBondContact O-N 3.22Å; E177-A179 VanDerWaalsContact C-N 3.34Å; E177-A179 PolarHBondContact O-N 2.81Å; A179-K181 PolarHBondContact O-N 2.98Å; A179-L182 WeakPolarHBondContact O-CB 3.2Å; A179-L182 WeakPolarHBondContact O-CG 3.36Å; A179-L182 PolarHBondContact O-N 3.1Å; A179-R187 PolarHBondContact O-NH2 3.18Å |
| 180 | R | 97.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -33.8 | -179.9 | -65.1 | -168.1 | -44.3 | -94.8 | 7 | 112.9 | Y34 Y43 E107 K108 E109 C175 D176 E177 R187 | Y34-R180 VanDerWaalsContact CZ-CD 3.47Å; Y43-R180 VanDerWaalsContact OH-CD 3.29Å; Y43-R180 WeakPolarHBondContact OH-CD 3.46Å; Y43-R180 PolarHBondContact OH-NE 3.37Å; E107-R180 VanDerWaalsContact CA-O 3.3Å; E107-R180 WeakPolarHBondContact CA-O 3.26Å; E107-R180 HydrophobicContact CB-CB 4.44Å; K108-R180 PolarHBondContact N-O 3.18Å; K108-R180 VanDerWaalsContact O-CA 3.25Å; K108-R180 WeakPolarHBondContact O-CA 3.4Å; E109-R180 HydrophobicContact CG-CG 4.41Å; C175-R180 PolarHBondContact O-NH1 3.25Å; D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.45Å; E177-R180 PolarHBondContact O-N 3.12Å; R180-R187 PolarHBondContact O-NH2 3.11Å |
| 181 | K | 97.3 | Very high | 97.4 | Very high | 102 Ų | 102 | 29.2 Ų | 29.2 | 44% | 0.443 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1 | -178.8 | -68.9 | 175.6 | 177.2 | 177.7 | 0 | 114.5 | E107 E177 A178 A179 S183 | E107-K181 HydrophobicContact CG-CG 3.89Å; E107-K181 VanDerWaalsContact OE1-CE 3.25Å; E107-K181 WeakPolarHBondContact OE1-CE 3.45Å; E177-K181 HydrophobicContact CG-CD 4.19Å; E177-K181 WeakPolarHBondContact O-CG 3.35Å; E177-K181 PolarHBondContact O-N 3.15Å; E177-K181 VanDerWaalsContact O-N 3.16Å; E177-K181 IonicContact OE1-NZ 3.87Å; E177-K181 PolarHBondContact OE1-NZ 3.5Å; A178-K181 PolarHBondContact O-N 3.18Å; A179-K181 PolarHBondContact O-N 2.98Å; K181-S183 PolarHBondContact O-N 3.36Å |
| 182 | L | 98.3 | Very high | 97.2 | Very high | 37 Ų | 37 | 34.2 Ų | 34.2 | 19% | 0.194 | 22% | 0.219 | C | C | . | . | trans | -60.4 | 132.3 | 177.6 | -70 | 174.5 | 0 | 0 | 0 | 111.3 | L110 F157 A178 A179 A186 R187 V190 | L110-L182 HydrophobicContact CD2-CD1 4.07Å; F157-L182 HydrophobicContact CZ-CD1 4.3Å; A178-L182 WeakPolarHBondContact O-CG 2.95Å; A178-L182 PolarHBondContact O-N 3.03Å; A179-L182 WeakPolarHBondContact O-CB 3.2Å; A179-L182 WeakPolarHBondContact O-CG 3.36Å; A179-L182 PolarHBondContact O-N 3.1Å; L182-A186 HydrophobicContact CB-CB 4.29Å; L182-A186 HydrophobicContact CD2-CB 3.81Å; L182-R187 HydrophobicContact CB-CG 3.81Å; L182-R187 PolarHBondContact O-NE 3.37Å; L182-R187 PolarHBondContact O-NH2 3.42Å; L182-V190 HydrophobicContact CD1-CG2 4.43Å | ||
| 183 | S | 96.9 | Very high | 97.1 | Very high | 67 Ų | 67 | 38 Ų | 38 | 47% | 0.469 | 23% | 0.234 | S | C | . | . | trans | -66.7 | 161.5 | 170.2 | 71.7 | 0 | 0 | 0 | 0 | 111.1 | K181 A185 A186 R187 | K181-S183 PolarHBondContact O-N 3.36Å; S183-A185 PolarHBondContact O-N 3.18Å; S183-A186 PolarHBondContact O-N 3Å; S183-A186 VanDerWaalsContact O-N 3.13Å; S183-A186 PolarHBondContact OG-N 3.22Å; S183-R187 VanDerWaalsContact O-CG 3.32Å; S183-R187 WeakPolarHBondContact O-CG 3.17Å; S183-R187 PolarHBondContact O-N 3.48Å | ||
| 184 | A | 95.8 | Very high | 97 | Very high | 50 Ų | 50 | 38 Ų | 38 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.9 | -36 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S188 | A184-S188 WeakPolarHBondContact O-CB 3.45Å; A184-S188 PolarHBondContact O-N 3.32Å; A184-S188 PolarHBondContact O-OG 2.85Å |
| 185 | A | 97.3 | Very high | 96.9 | Very high | 73 Ų | 73 | 39 Ų | 39 | 60% | 0.603 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.3 | -44.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S183 S188 A189 | S183-A185 PolarHBondContact O-N 3.18Å; A185-S188 WeakPolarHBondContact O-CB 3.23Å; A185-S188 PolarHBondContact O-N 3.21Å; A185-A189 PolarHBondContact O-N 2.84Å |
| 186 | A | 97.9 | Very high | 96.8 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L182 S183 S188 A189 V190 | L182-A186 HydrophobicContact CB-CB 4.29Å; L182-A186 HydrophobicContact CD2-CB 3.81Å; S183-A186 PolarHBondContact O-N 3Å; S183-A186 VanDerWaalsContact O-N 3.13Å; S183-A186 PolarHBondContact OG-N 3.22Å; A186-S188 VanDerWaalsContact C-N 3.32Å; A186-S188 PolarHBondContact O-N 3.49Å; A186-A189 PolarHBondContact O-N 2.87Å; A186-V190 WeakPolarHBondContact O-CG2 3.22Å; A186-V190 PolarHBondContact O-N 3.32Å |
| 187 | R | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 172.2 | -68.4 | 174.1 | -169.3 | -95.7 | -7.7 | 112.3 | K108 E109 L110 A179 R180 L182 S183 A189 V190 A191 S313 | K108-R187 PolarHBondContact O-NH1 2.81Å; K108-R187 VanDerWaalsContact O-NH1 3.11Å; K108-R187 PolarHBondContact O-NH2 2.63Å; E109-R187 PolarHBondContact O-NH1 3.36Å; E109-R187 VanDerWaalsContact O-NH1 3.16Å; L110-R187 HydrophobicContact CD1-CB 4.4Å; L110-R187 HydrophobicContact CD1-CG 4.14Å; A179-R187 PolarHBondContact O-NH2 3.18Å; R180-R187 PolarHBondContact O-NH2 3.11Å; L182-R187 HydrophobicContact CB-CG 3.81Å; L182-R187 PolarHBondContact O-NE 3.37Å; L182-R187 PolarHBondContact O-NH2 3.42Å; S183-R187 VanDerWaalsContact O-CG 3.32Å; S183-R187 WeakPolarHBondContact O-CG 3.17Å; S183-R187 PolarHBondContact O-N 3.48Å; R187-A189 VanDerWaalsContact C-N 3.34Å; R187-V190 PolarHBondContact O-N 2.81Å; R187-A191 WeakPolarHBondContact O-CB 3.26Å; R187-A191 PolarHBondContact O-N 3.04Å; R187-S313 WeakPolarHBondContact CB-O 3.39Å; R187-S313 WeakPolarHBondContact CD-O 3.06Å |
| 188 | S | 96.7 | Very high | 96.5 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | A184 A185 A186 V190 A191 E192 K314 | A184-S188 WeakPolarHBondContact O-CB 3.45Å; A184-S188 PolarHBondContact O-N 3.32Å; A184-S188 PolarHBondContact O-OG 2.85Å; A185-S188 WeakPolarHBondContact O-CB 3.23Å; A185-S188 PolarHBondContact O-N 3.21Å; A186-S188 VanDerWaalsContact C-N 3.32Å; A186-S188 PolarHBondContact O-N 3.49Å; S188-V190 PolarHBondContact O-N 3.42Å; S188-A191 PolarHBondContact O-N 3.49Å; S188-E192 VanDerWaalsContact O-CB 3.32Å; S188-E192 WeakPolarHBondContact O-CB 3.47Å; S188-E192 VanDerWaalsContact O-CG 3.28Å; S188-E192 WeakPolarHBondContact O-CG 3.19Å; S188-E192 PolarHBondContact O-N 3.39Å; S188-K314 WeakPolarHBondContact OG-CG 3.27Å |
| 189 | A | 97.3 | Very high | 96.1 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A185 A186 R187 Y193 | A185-A189 PolarHBondContact O-N 2.84Å; A186-A189 PolarHBondContact O-N 2.87Å; R187-A189 VanDerWaalsContact C-N 3.34Å; A189-Y193 VanDerWaalsContact O-CB 3.3Å; A189-Y193 WeakPolarHBondContact O-CB 3.3Å; A189-Y193 PolarHBondContact O-N 3.23Å |
| 190 | V | 97.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 111 | L110 F112 L150 F155 L182 A186 R187 S188 E192 Y193 L194 | L110-V190 HydrophobicContact CD2-CG1 3.98Å; F112-V190 HydrophobicContact CZ-CG1 4.01Å; L150-V190 HydrophobicContact CD2-CG1 4.35Å; F155-V190 HydrophobicContact CD1-CG1 4.49Å; F155-V190 HydrophobicContact CD1-CG2 4.2Å; F155-V190 HydrophobicContact CE1-CB 4.22Å; F155-V190 HydrophobicContact CE1-CG1 3.98Å; F155-V190 HydrophobicContact CE1-CG2 3.69Å; F155-V190 HydrophobicContact CE2-CG1 4.13Å; F155-V190 HydrophobicContact CZ-CB 4.28Å; F155-V190 HydrophobicContact CZ-CG1 3.78Å; F155-V190 HydrophobicContact CZ-CG2 4.25Å; L182-V190 HydrophobicContact CD1-CG2 4.43Å; A186-V190 WeakPolarHBondContact O-CG2 3.22Å; A186-V190 PolarHBondContact O-N 3.32Å; R187-V190 PolarHBondContact O-N 2.81Å; S188-V190 PolarHBondContact O-N 3.42Å; V190-E192 VanDerWaalsContact C-N 3.32Å; V190-E192 PolarHBondContact O-N 2.83Å; V190-Y193 PolarHBondContact O-N 2.89Å; V190-L194 HydrophobicContact CG1-CD1 3.94Å; V190-L194 WeakPolarHBondContact O-CG 3.29Å; V190-L194 PolarHBondContact O-N 3.11Å; V190-L194 VanDerWaalsContact O-N 3.15Å |
| 191 | A | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | R187 S188 L194 S195 V310 | R187-A191 WeakPolarHBondContact O-CB 3.26Å; R187-A191 PolarHBondContact O-N 3.04Å; S188-A191 PolarHBondContact O-N 3.49Å; A191-L194 PolarHBondContact O-N 3.01Å; A191-S195 WeakPolarHBondContact O-CB 3.46Å; A191-S195 PolarHBondContact O-N 3.4Å; A191-S195 VanDerWaalsContact O-N 3.17Å; A191-S195 PolarHBondContact O-OG 3.44Å; A191-V310 HydrophobicContact CB-CB 4.44Å; A191-V310 HydrophobicContact CB-CG1 4.35Å |
| 192 | E | 94.3 | Very high | 94.2 | Very high | 113 Ų | 113 | 60.1 Ų | 60.1 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.2 | -37.6 | 178.9 | -74.3 | 170 | -167.2 | 0 | 0 | 112.5 | S188 V190 L194 S195 K314 | S188-E192 VanDerWaalsContact O-CB 3.32Å; S188-E192 WeakPolarHBondContact O-CB 3.47Å; S188-E192 VanDerWaalsContact O-CG 3.28Å; S188-E192 WeakPolarHBondContact O-CG 3.19Å; S188-E192 PolarHBondContact O-N 3.39Å; V190-E192 VanDerWaalsContact C-N 3.32Å; V190-E192 PolarHBondContact O-N 2.83Å; E192-L194 VanDerWaalsContact C-N 3.27Å; E192-L194 PolarHBondContact O-N 3.38Å; E192-S195 PolarHBondContact O-N 3.28Å; E192-K314 IonicContact OE1-NZ 3.34Å; E192-K314 PolarHBondContact OE1-NZ 3.35Å; E192-K314 VanDerWaalsContact OE1-NZ 3.15Å |
| 193 | Y | 96.8 | Very high | 93.9 | Very high | 79 Ų | 79 | 61 Ų | 61 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.9 | -42.8 | 171.8 | 177.6 | -84.1 | 0 | 0 | 0 | 111.5 | D154 F155 A189 V190 S195 H214 F216 | D154-Y193 HydrophobicContact CB-CE1 4.45Å; F155-Y193 AromaticContact CE2-CD1 3.55Å; F155-Y193 HydrophobicContact CE2-CD1 3.55Å; F155-Y193 AromaticContact CE2-CE1 3.76Å; F155-Y193 HydrophobicContact CE2-CE1 3.76Å; F155-Y193 HydrophobicContact CE2-CG 4.3Å; F155-Y193 AromaticContact CZ-CD1 3.51Å; F155-Y193 HydrophobicContact CZ-CD1 3.51Å; F155-Y193 HydrophobicContact CZ-CD2 4.5Å; F155-Y193 HydrophobicContact CZ-CE1 4.02Å; F155-Y193 AromaticContact CZ-CG 3.79Å; F155-Y193 HydrophobicContact CZ-CG 3.79Å; A189-Y193 VanDerWaalsContact O-CB 3.3Å; A189-Y193 WeakPolarHBondContact O-CB 3.3Å; A189-Y193 PolarHBondContact O-N 3.23Å; V190-Y193 PolarHBondContact O-N 2.89Å; Y193-S195 VanDerWaalsContact C-N 3.31Å; Y193-S195 PolarHBondContact O-N 3.11Å; Y193-H214 AromaticContact CE2-CE1 3.8Å; Y193-H214 AromaticContact CZ-CE1 3.97Å; Y193-F216 HydrophobicContact CE1-CB 4.08Å; Y193-F216 HydrophobicContact CE1-CD1 4.15Å; Y193-F216 AromaticContact CE1-CD2 3.76Å; Y193-F216 HydrophobicContact CE1-CD2 3.76Å; Y193-F216 HydrophobicContact CE1-CE2 4.21Å; Y193-F216 AromaticContact CE1-CG 3.73Å; Y193-F216 HydrophobicContact CE1-CG 3.73Å; Y193-F216 WeakPolarHBondContact O-CE1 3.41Å; Y193-F216 WeakPolarHBondContact OH-CB 3.31Å |
| 194 | L | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -6 | -179 | -62.3 | 169.2 | 0 | 0 | 0 | 113.5 | F112 L146 S149 L150 F155 V190 A191 E192 F216 Y305 L308 | F112-L194 HydrophobicContact CD1-CD1 4.49Å; F112-L194 HydrophobicContact CE1-CD1 3.56Å; F112-L194 HydrophobicContact CZ-CD1 3.6Å; L146-L194 HydrophobicContact CD2-CB 4.14Å; L146-L194 HydrophobicContact CD2-CD1 4.15Å; L146-L194 HydrophobicContact CD2-CD2 4.14Å; L146-L194 HydrophobicContact CD2-CG 4.38Å; S149-L194 VanDerWaalsContact OG-CD2 3.23Å; S149-L194 WeakPolarHBondContact OG-CD2 3.29Å; L150-L194 HydrophobicContact CD2-CD1 4.04Å; L150-L194 HydrophobicContact CG-CD1 4.49Å; F155-L194 HydrophobicContact CE2-CD2 4.1Å; F155-L194 HydrophobicContact CE2-CG 4.27Å; V190-L194 HydrophobicContact CG1-CD1 3.94Å; V190-L194 WeakPolarHBondContact O-CG 3.29Å; V190-L194 PolarHBondContact O-N 3.11Å; V190-L194 VanDerWaalsContact O-N 3.15Å; A191-L194 PolarHBondContact O-N 3.01Å; E192-L194 VanDerWaalsContact C-N 3.27Å; E192-L194 PolarHBondContact O-N 3.38Å; L194-F216 HydrophobicContact CB-CZ 4.49Å; L194-F216 HydrophobicContact CD2-CE2 3.71Å; L194-F216 HydrophobicContact CD2-CZ 3.65Å; L194-Y305 WeakPolarHBondContact O-CE1 3.48Å; L194-Y305 PolarHBondContact O-OH 2.93Å; L194-L308 HydrophobicContact CB-CD1 3.62Å |
| 195 | S | 96.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | trans | -99 | 107.2 | -174 | -66.8 | 0 | 0 | 0 | 0 | 112.6 | A191 E192 Y193 V310 | A191-S195 WeakPolarHBondContact O-CB 3.46Å; A191-S195 PolarHBondContact O-N 3.4Å; A191-S195 VanDerWaalsContact O-N 3.17Å; A191-S195 PolarHBondContact O-OG 3.44Å; E192-S195 PolarHBondContact O-N 3.28Å; Y193-S195 VanDerWaalsContact C-N 3.31Å; Y193-S195 PolarHBondContact O-N 3.11Å; S195-V310 WeakPolarHBondContact OG-CG1 3Å | ||
| 196 | L | 96 | Very high | 93.5 | Very high | 26 Ų | 26 | 59.3 Ų | 59.3 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | trans | -100.6 | -27.8 | 175.4 | -57.2 | -174.8 | 0 | 0 | 0 | 113.9 | F216 I217 L301 Y305 | L196-F216 HydrophobicContact CD1-CE1 4.44Å; L196-F216 HydrophobicContact CD2-CE1 4.24Å; L196-F216 HydrophobicContact CG-CE1 4.31Å; L196-I217 HydrophobicContact CD1-CB 4.44Å; L196-I217 HydrophobicContact CD1-CD1 4.45Å; L196-I217 HydrophobicContact CD1-CG1 3.89Å; L196-I217 HydrophobicContact CD1-CG2 4.17Å; L196-I217 HydrophobicContact CD2-CD1 3.77Å; L196-I217 HydrophobicContact CD2-CG1 3.75Å; L196-L301 HydrophobicContact CD1-CD1 4.29Å; L196-L301 HydrophobicContact CD1-CD2 4.13Å; L196-Y305 HydrophobicContact CB-CD1 3.88Å; L196-Y305 HydrophobicContact CB-CE1 3.72Å; L196-Y305 HydrophobicContact CB-CG 4.39Å; L196-Y305 HydrophobicContact CD1-CD1 4.34Å; L196-Y305 HydrophobicContact CD1-CD2 3.73Å; L196-Y305 HydrophobicContact CD1-CE1 4.04Å; L196-Y305 HydrophobicContact CD1-CE2 3.36Å; L196-Y305 HydrophobicContact CD1-CG 4.22Å; L196-Y305 HydrophobicContact CG-CD1 4.24Å; L196-Y305 HydrophobicContact CG-CD2 4.45Å; L196-Y305 HydrophobicContact CG-CE1 3.7Å; L196-Y305 HydrophobicContact CG-CE2 3.92Å | ||
| 197 | I | 95.1 | Very high | 93.4 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | trans | -83.1 | 117.5 | 178.6 | -50.8 | -50 | 0 | 0 | 0 | 108.7 | K206 V207 Y305 R307 | I197-K206 HydrophobicContact CG2-CB 3.76Å; I197-K206 HydrophobicContact CG2-CD 3.83Å; I197-K206 HydrophobicContact CG2-CG 4.39Å; I197-V207 HydrophobicContact CD1-CG2 3.31Å; I197-Y305 HydrophobicContact CD1-CD1 4.36Å; I197-Y305 HydrophobicContact CG1-CD1 4.13Å; I197-R307 HydrophobicContact CG1-CG 4.17Å | ||
| 198 | K | 90.2 | Very high | 93.1 | Very high | 151 Ų | 151 | 62.3 Ų | 62.3 | 66% | 0.657 | 34% | 0.344 | S | S | * | . | trans | -126.5 | 136.5 | 178.9 | -63 | -179.7 | -178.3 | 177.8 | 0 | 110.5 | K206 | K198-K206 PolarHBondContact N-O 3Å; K198-K206 VanDerWaalsContact O-CA 3.25Å; K198-K206 WeakPolarHBondContact O-CA 3.39Å; K198-K206 WeakPolarHBondContact O-CB 3.38Å | ||
| 199 | G | 86.4 | Confident | 93 | Very high | 48 Ų | 48 | 62 Ų | 62 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | trans | 111.2 | 148 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T203 | G199-T203 WeakPolarHBondContact CA-OG1 3.23Š| ||
| 200 | G | 84.8 | Confident | 92.6 | Very high | 48 Ų | 48 | 64 Ų | 64 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | trans | -82.9 | -161.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E202 T203 K206 | G200-E202 VanDerWaalsContact C-N 3.27Å; G200-E202 PolarHBondContact O-N 2.61Å; G200-T203 PolarHBondContact N-OG1 2.82Å; G200-T203 PolarHBondContact O-N 2.83Å; G200-T203 VanDerWaalsContact O-N 3.09Å; G200-K206 VanDerWaalsContact O-CE 3.28Å; G200-K206 WeakPolarHBondContact O-CE 3.23Å | ||
| 201 | E | 82.1 | Confident | 92.2 | Very high | 200 Ų | 200 | 68.4 Ų | 68.4 | 94% | 0.935 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -34.9 | -178.9 | -66.5 | -176.7 | 171.1 | 0 | 0 | 113.3 | T203 | E201-T203 PolarHBondContact O-N 3.11Š|
| 202 | E | 86.8 | Confident | 92 | Very high | 190 Ų | 190 | 73.7 Ų | 73.7 | 89% | 0.888 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -15.1 | 179.1 | -58.5 | -172.9 | 155.3 | 0 | 0 | 113.3 | G200 V204 | G200-E202 VanDerWaalsContact C-N 3.27Å; G200-E202 PolarHBondContact O-N 2.61Å; E202-V204 PolarHBondContact O-N 3.17Å |
| 203 | T | 91.9 | Very high | 92 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | trans | -87.4 | 105.3 | -178.3 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | G199 G200 E201 K205 K206 | G199-T203 WeakPolarHBondContact CA-OG1 3.23Å; G200-T203 PolarHBondContact N-OG1 2.82Å; G200-T203 PolarHBondContact O-N 2.83Å; G200-T203 VanDerWaalsContact O-N 3.09Å; E201-T203 PolarHBondContact O-N 3.11Å; T203-K205 WeakPolarHBondContact CG2-O 3.05Å; T203-K206 HydrophobicContact CG2-CG 4.21Å; T203-K206 WeakPolarHBondContact O-CE 3.37Å; T203-K206 WeakPolarHBondContact O-CG 3.43Å | ||
| 204 | V | 92.3 | Very high | 92 | Very high | 88 Ų | 88 | 70.2 Ų | 70.2 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -65.8 | -52.8 | 178.8 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | E202 A250 L251 Q302 | E202-V204 PolarHBondContact O-N 3.17Å; V204-A250 HydrophobicContact CG1-CB 3.81Å; V204-L251 HydrophobicContact CG1-CD2 4.08Å; V204-L251 VanDerWaalsContact O-CD2 3.25Å; V204-L251 WeakPolarHBondContact O-CD2 3.38Å; V204-Q302 PolarHBondContact O-NE2 2.89Å |
| 205 | K | 93.6 | Very high | 92 | Very high | 47 Ų | 47 | 73.7 Ų | 73.7 | 20% | 0.204 | 41% | 0.414 | C | S | . | . | trans | -98.7 | 109 | -179.4 | -175.6 | 167.4 | -175.2 | 156.2 | 0 | 110.5 | T203 V207 L251 E298 | T203-K205 WeakPolarHBondContact CG2-O 3.05Å; K205-V207 VanDerWaalsContact CE-O 3.27Å; K205-V207 WeakPolarHBondContact CE-O 3.48Å; K205-L251 HydrophobicContact CB-CD2 4.12Å; K205-L251 HydrophobicContact CG-CD2 4.46Å; K205-L251 PolarHBondContact NZ-O 3.24Å; K205-L251 VanDerWaalsContact NZ-O 3.17Å; K205-E298 WeakPolarHBondContact CE-OE2 3.37Å; K205-E298 IonicContact NZ-OE2 2.77Å; K205-E298 PolarHBondContact NZ-OE2 3.41Å | ||
| 206 | K | 95.7 | Very high | 92.1 | Very high | 20 Ų | 20 | 72.9 Ų | 72.9 | 9% | 0.087 | 41% | 0.407 | C | S | . | . | trans | -102.5 | -8.3 | -172.1 | -60.7 | -177.6 | 177.7 | 176.8 | 0 | 114.2 | D121 I197 K198 G200 T203 Q302 | D121-K206 IonicContact OD2-NZ 3.68Å; D121-K206 PolarHBondContact OD2-NZ 3.14Å; I197-K206 HydrophobicContact CG2-CB 3.76Å; I197-K206 HydrophobicContact CG2-CD 3.83Å; I197-K206 HydrophobicContact CG2-CG 4.39Å; K198-K206 PolarHBondContact N-O 3Å; K198-K206 VanDerWaalsContact O-CA 3.25Å; K198-K206 WeakPolarHBondContact O-CA 3.39Å; K198-K206 WeakPolarHBondContact O-CB 3.38Å; G200-K206 VanDerWaalsContact O-CE 3.28Å; G200-K206 WeakPolarHBondContact O-CE 3.23Å; T203-K206 HydrophobicContact CG2-CG 4.21Å; T203-K206 WeakPolarHBondContact O-CE 3.37Å; T203-K206 WeakPolarHBondContact O-CG 3.43Å; K206-Q302 HydrophobicContact CB-CG 4.46Å | ||
| 207 | V | 95.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.012 | 41% | 0.406 | C | S | . | . | trans | -125.5 | 127.5 | 179 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | I197 K205 L209 E298 L301 Q302 | I197-V207 HydrophobicContact CD1-CG2 3.31Å; K205-V207 VanDerWaalsContact CE-O 3.27Å; K205-V207 WeakPolarHBondContact CE-O 3.48Å; V207-L209 HydrophobicContact CG1-CD2 4.18Å; V207-L209 HydrophobicContact CG1-CG 4.36Å; V207-E298 HydrophobicContact CB-CB 4.27Å; V207-E298 HydrophobicContact CG1-CB 4.28Å; V207-E298 HydrophobicContact CG1-CG 4.15Å; V207-L301 HydrophobicContact CG1-CB 4.07Å; V207-L301 HydrophobicContact CG1-CD1 3.96Å; V207-L301 HydrophobicContact CG2-CB 4.16Å; V207-Q302 HydrophobicContact CG2-CB 3.94Å | ||
| 208 | V | 93.1 | Very high | 92.3 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | trans | -133.4 | 116.3 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | W292 E298 | V208-W292 HydrophobicContact CG1-CZ3 4.43Å; V208-E298 WeakPolarHBondContact CA-OE1 3.43Å | ||
| 209 | L | 93.2 | Very high | 92.6 | Very high | 20 Ų | 20 | 74.1 Ų | 74.1 | 11% | 0.105 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 139.8 | -179.8 | -64.3 | -177.5 | 0 | 0 | 0 | 111.2 | V207 I213 I217 Y294 K297 E298 L301 | V207-L209 HydrophobicContact CG1-CD2 4.18Å; V207-L209 HydrophobicContact CG1-CG 4.36Å; L209-I213 HydrophobicContact CD1-CD1 4.35Å; L209-I217 HydrophobicContact CD2-CD1 3.95Å; L209-I217 HydrophobicContact CD2-CG2 3.74Å; L209-Y294 HydrophobicContact CB-CD2 4.25Å; L209-K297 HydrophobicContact CD1-CB 3.81Å; L209-E298 HydrophobicContact CB-CG 4.24Å; L209-E298 HydrophobicContact CD1-CG 4.12Å; L209-E298 HydrophobicContact CG-CG 3.76Å; L209-E298 PolarHBondContact N-OE1 2.68Å; L209-L301 HydrophobicContact CD1-CD1 4.05Å; L209-L301 HydrophobicContact CD2-CD1 3.92Å; L209-L301 HydrophobicContact CG-CD1 4.37Å |
| 210 | T | 90.3 | Very high | 93.2 | Very high | 101 Ų | 101 | 71.8 Ų | 71.8 | 62% | 0.62 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -98.5 | 153.8 | 172.9 | 55 | 0 | 0 | 0 | 0 | 110.8 | P212 I213 | T210-P212 CarbonylContact O-C 3.55Å; T210-P212 VanDerWaalsContact O-C 3.22Å; T210-I213 PolarHBondContact O-N 2.75Å |
| 211 | D | 88.1 | Confident | 93.9 | Very high | 102 Ų | 102 | 69.7 Ų | 69.7 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -101.4 | 131.3 | 171.8 | -165.8 | 66.9 | 0 | 0 | 0 | 110.5 | Q293 Y294 | D211-Q293 PolarHBondContact OD1-NE2 3.46Å; D211-Y294 HydrophobicContact CB-CE2 4.15Å; D211-Y294 PolarHBondContact OD1-OH 3.02Å |
| 212 | P | 92.1 | Very high | 94.6 | Very high | 110 Ų | 110 | 63.9 Ų | 63.9 | 71% | 0.714 | 34% | 0.341 | S | S | * | . | S | Bend | cis | -70.9 | 151.4 | -4.6 | 30.9 | -35.4 | 0 | 0 | 0 | 112.7 | T210 H214 | T210-P212 CarbonylContact O-C 3.55Å; T210-P212 VanDerWaalsContact O-C 3.22Å; P212-H214 PolarHBondContact O-N 3.26Å |
| 213 | I | 94.7 | Very high | 95.2 | Very high | 32 Ų | 32 | 56 Ų | 56 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 125.4 | 174.9 | -61.1 | 178.8 | 0 | 0 | 0 | 109.1 | L209 T210 I217 R218 Y294 K297 | L209-I213 HydrophobicContact CD1-CD1 4.35Å; T210-I213 PolarHBondContact O-N 2.75Å; I213-I217 HydrophobicContact CG2-CB 3.81Å; I213-I217 HydrophobicContact CG2-CG2 3.79Å; I213-R218 HydrophobicContact CG2-CB 4.28Å; I213-Y294 HydrophobicContact CD1-CD1 3.9Å; I213-Y294 HydrophobicContact CD1-CD2 3.94Å; I213-Y294 HydrophobicContact CD1-CE1 3.87Å; I213-Y294 HydrophobicContact CD1-CE2 3.91Å; I213-Y294 HydrophobicContact CD1-CG 3.93Å; I213-Y294 HydrophobicContact CG1-CD2 3.98Å; I213-Y294 HydrophobicContact CG1-CE1 4.48Å; I213-Y294 HydrophobicContact CG1-CE2 3.69Å; I213-Y294 HydrophobicContact CG1-CG 4.48Å; I213-K297 HydrophobicContact CD1-CD 3.86Å |
| 214 | H | 96.6 | Very high | 95.5 | Very high | 88 Ų | 88 | 53.4 Ų | 53.4 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 139.1 | 179.2 | -172.8 | -80.5 | 0 | 0 | 0 | 111.3 | Y193 P212 F216 I217 R218 | Y193-H214 AromaticContact CE2-CE1 3.8Å; Y193-H214 AromaticContact CZ-CE1 3.97Å; P212-H214 PolarHBondContact O-N 3.26Å; H214-F216 VanDerWaalsContact C-N 3.33Å; H214-F216 VanDerWaalsContact ND1-CB 3.31Å; H214-F216 WeakPolarHBondContact ND1-CB 3.4Å; H214-F216 PolarHBondContact ND1-N 2.87Å; H214-F216 VanDerWaalsContact ND1-N 3.19Å; H214-F216 PolarHBondContact O-N 3.09Å; H214-I217 HydrophobicContact CB-CD1 4.06Å; H214-I217 HydrophobicContact CB-CG1 4.16Å; H214-I217 WeakPolarHBondContact O-CB 3.29Å; H214-I217 PolarHBondContact O-N 3.49Å; H214-R218 PolarHBondContact O-N 3.48Å; H214-R218 VanDerWaalsContact O-N 3.12Å |
| 215 | P | 97.2 | Very high | 95.8 | Very high | 73 Ų | 73 | 53.8 Ų | 53.8 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -50.5 | -46.7 | -177 | -30.3 | 36 | 0 | 0 | 0 | 114.3 | I217 R218 E219 | P215-I217 VanDerWaalsContact C-N 3.29Å; P215-I217 PolarHBondContact O-N 3.41Å; P215-R218 WeakPolarHBondContact O-CB 3.43Å; P215-R218 PolarHBondContact O-N 2.59Å; P215-R218 VanDerWaalsContact O-N 3.1Å; P215-E219 WeakPolarHBondContact O-CG 3.24Å; P215-E219 PolarHBondContact O-N 2.98Å |
| 216 | F | 97.3 | Very high | 96 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -50 | -45 | 173.1 | 168.8 | -112.9 | 0 | 0 | 0 | 114.1 | R148 S149 D154 Y193 L194 L196 H214 E219 S220 Y305 | R148-F216 VanDerWaalsContact NH2-CD2 3.3Å; S149-F216 WeakPolarHBondContact OG-CD2 3.36Å; S149-F216 VanDerWaalsContact OG-CE2 3.29Å; S149-F216 WeakPolarHBondContact OG-CE2 3.42Å; D154-F216 WeakPolarHBondContact OD2-CD2 3.4Å; Y193-F216 HydrophobicContact CE1-CB 4.08Å; Y193-F216 HydrophobicContact CE1-CD1 4.15Å; Y193-F216 AromaticContact CE1-CD2 3.76Å; Y193-F216 HydrophobicContact CE1-CD2 3.76Å; Y193-F216 HydrophobicContact CE1-CE2 4.21Å; Y193-F216 AromaticContact CE1-CG 3.73Å; Y193-F216 HydrophobicContact CE1-CG 3.73Å; Y193-F216 WeakPolarHBondContact O-CE1 3.41Å; Y193-F216 WeakPolarHBondContact OH-CB 3.31Å; L194-F216 HydrophobicContact CB-CZ 4.49Å; L194-F216 HydrophobicContact CD2-CE2 3.71Å; L194-F216 HydrophobicContact CD2-CZ 3.65Å; L196-F216 HydrophobicContact CD1-CE1 4.44Å; L196-F216 HydrophobicContact CD2-CE1 4.24Å; L196-F216 HydrophobicContact CG-CE1 4.31Å; H214-F216 VanDerWaalsContact C-N 3.33Å; H214-F216 VanDerWaalsContact ND1-CB 3.31Å; H214-F216 WeakPolarHBondContact ND1-CB 3.4Å; H214-F216 PolarHBondContact ND1-N 2.87Å; H214-F216 VanDerWaalsContact ND1-N 3.19Å; H214-F216 PolarHBondContact O-N 3.09Å; F216-E219 PolarHBondContact O-N 3.21Å; F216-S220 WeakPolarHBondContact O-CB 3.49Å; F216-S220 PolarHBondContact O-N 3.15Å; F216-S220 PolarHBondContact O-OG 3.17Å; F216-Y305 WeakPolarHBondContact CE1-OH 3.45Å; F216-Y305 HydrophobicContact CZ-CE2 4.47Å; F216-Y305 WeakPolarHBondContact CZ-OH 3.41Å |
| 217 | I | 98.1 | Very high | 96.1 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.9 | -41.5 | -178.7 | -59.9 | 178.4 | 0 | 0 | 0 | 109.7 | L196 L209 I213 H214 P215 S220 L221 L301 | L196-I217 HydrophobicContact CD1-CB 4.44Å; L196-I217 HydrophobicContact CD1-CD1 4.45Å; L196-I217 HydrophobicContact CD1-CG1 3.89Å; L196-I217 HydrophobicContact CD1-CG2 4.17Å; L196-I217 HydrophobicContact CD2-CD1 3.77Å; L196-I217 HydrophobicContact CD2-CG1 3.75Å; L209-I217 HydrophobicContact CD2-CD1 3.95Å; L209-I217 HydrophobicContact CD2-CG2 3.74Å; I213-I217 HydrophobicContact CG2-CB 3.81Å; I213-I217 HydrophobicContact CG2-CG2 3.79Å; H214-I217 HydrophobicContact CB-CD1 4.06Å; H214-I217 HydrophobicContact CB-CG1 4.16Å; H214-I217 WeakPolarHBondContact O-CB 3.29Å; H214-I217 PolarHBondContact O-N 3.49Å; P215-I217 VanDerWaalsContact C-N 3.29Å; P215-I217 PolarHBondContact O-N 3.41Å; I217-S220 WeakPolarHBondContact O-CB 3.45Å; I217-S220 PolarHBondContact O-N 3.23Å; I217-L221 HydrophobicContact CG2-CD1 4.2Å; I217-L221 WeakPolarHBondContact O-CB 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.17Å; I217-L221 PolarHBondContact O-N 3.29Å; I217-L301 HydrophobicContact CG2-CD1 3.88Å |
| 218 | R | 97.5 | Very high | 96.2 | Very high | 144 Ų | 144 | 60.2 Ų | 60.2 | 54% | 0.543 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.9 | -177.8 | -177 | 58.8 | 170.5 | -3.6 | 111.6 | I213 H214 P215 S220 L221 T222 | I213-R218 HydrophobicContact CG2-CB 4.28Å; H214-R218 PolarHBondContact O-N 3.48Å; H214-R218 VanDerWaalsContact O-N 3.12Å; P215-R218 WeakPolarHBondContact O-CB 3.43Å; P215-R218 PolarHBondContact O-N 2.59Å; P215-R218 VanDerWaalsContact O-N 3.1Å; R218-S220 VanDerWaalsContact C-N 3.32Å; R218-S220 PolarHBondContact O-N 2.93Å; R218-L221 WeakPolarHBondContact O-CB 3.33Å; R218-L221 PolarHBondContact O-N 3.5Å; R218-T222 PolarHBondContact O-N 3.44Å; R218-T222 VanDerWaalsContact O-N 3.1Å; R218-T222 PolarHBondContact O-OG1 2.95Å |
| 219 | E | 97.9 | Very high | 96.5 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 175.8 | -61.6 | -46.4 | 133.7 | 0 | 0 | 112.2 | P215 F216 L221 T222 V223 | P215-E219 WeakPolarHBondContact O-CG 3.24Å; P215-E219 PolarHBondContact O-N 2.98Å; F216-E219 PolarHBondContact O-N 3.21Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-T222 WeakPolarHBondContact O-CB 3.43Å; E219-T222 PolarHBondContact O-N 3.12Å; E219-V223 PolarHBondContact O-N 3.19Å |
| 220 | S | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 173.2 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | F216 I217 R218 V223 V224 | F216-S220 WeakPolarHBondContact O-CB 3.49Å; F216-S220 PolarHBondContact O-N 3.15Å; F216-S220 PolarHBondContact O-OG 3.17Å; I217-S220 WeakPolarHBondContact O-CB 3.45Å; I217-S220 PolarHBondContact O-N 3.23Å; R218-S220 VanDerWaalsContact C-N 3.32Å; R218-S220 PolarHBondContact O-N 2.93Å; S220-V223 WeakPolarHBondContact O-CB 3.47Å; S220-V223 PolarHBondContact O-N 3.33Å; S220-V224 WeakPolarHBondContact O-CG2 3.44Å; S220-V224 PolarHBondContact O-N 3.33Å |
| 221 | L | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.5 | -79.7 | 165.4 | 0 | 0 | 0 | 111.6 | I217 R218 E219 V223 V224 E225 K297 L301 | I217-L221 HydrophobicContact CG2-CD1 4.2Å; I217-L221 WeakPolarHBondContact O-CB 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.17Å; I217-L221 PolarHBondContact O-N 3.29Å; R218-L221 WeakPolarHBondContact O-CB 3.33Å; R218-L221 PolarHBondContact O-N 3.5Å; E219-L221 VanDerWaalsContact C-N 3.34Å; L221-V223 PolarHBondContact O-N 3.34Å; L221-V224 CarbonylContact O-C 3.22Å; L221-V224 PolarHBondContact O-N 2.91Å; L221-E225 WeakPolarHBondContact O-CB 3.32Å; L221-E225 VanDerWaalsContact O-CG 3.26Å; L221-E225 WeakPolarHBondContact O-CG 3.5Å; L221-E225 PolarHBondContact O-N 3.44Å; L221-K297 HydrophobicContact CD1-CB 3.98Å; L221-K297 HydrophobicContact CD1-CD 3.83Å; L221-K297 HydrophobicContact CD1-CG 3.94Å; L221-K297 HydrophobicContact CD2-CB 3.85Å; L221-K297 HydrophobicContact CD2-CG 4.1Å; L221-L301 HydrophobicContact CD2-CD1 4.09Å; L221-L301 HydrophobicContact CD2-CD2 3.96Å; L221-L301 HydrophobicContact CD2-CG 3.73Å; L221-L301 HydrophobicContact CG-CD1 4.32Å; L221-L301 HydrophobicContact CG-CD2 4.17Å; L221-L301 HydrophobicContact CG-CG 4.29Å |
| 222 | T | 98.3 | Very high | 97.6 | Very high | 78 Ų | 78 | 52.8 Ų | 52.8 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.3 | -39.8 | 174.8 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | R218 E219 R226 | R218-T222 PolarHBondContact O-N 3.44Å; R218-T222 VanDerWaalsContact O-N 3.1Å; R218-T222 PolarHBondContact O-OG1 2.95Å; E219-T222 WeakPolarHBondContact O-CB 3.43Å; E219-T222 PolarHBondContact O-N 3.12Å; T222-R226 PolarHBondContact O-N 3.28Å |
| 223 | V | 98.3 | Very high | 97.8 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 15% | 0.145 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.1 | -50.8 | 174.2 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | I141 R144 I145 E219 S220 L221 E225 R226 Y227 | I141-V223 HydrophobicContact CG2-CG1 4.5Å; R144-V223 HydrophobicContact CB-CG1 3.87Å; I145-V223 HydrophobicContact CD1-CB 4.45Å; I145-V223 HydrophobicContact CG1-CB 3.91Å; I145-V223 HydrophobicContact CG1-CG1 3.96Å; I145-V223 HydrophobicContact CG1-CG2 4.23Å; E219-V223 PolarHBondContact O-N 3.19Å; S220-V223 WeakPolarHBondContact O-CB 3.47Å; S220-V223 PolarHBondContact O-N 3.33Å; L221-V223 PolarHBondContact O-N 3.34Å; V223-E225 PolarHBondContact O-N 3.21Å; V223-R226 WeakPolarHBondContact O-CB 3.25Å; V223-R226 PolarHBondContact O-N 3.41Å; V223-Y227 HydrophobicContact CG1-CD2 4.3Å; V223-Y227 HydrophobicContact CG1-CE2 4.15Å; V223-Y227 VanDerWaalsContact O-CD2 3.29Å; V223-Y227 WeakPolarHBondContact O-CD2 3.42Å |
| 224 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | -178.9 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | I141 I145 S220 L221 R226 Y227 F228 M300 L301 C304 | I141-V224 HydrophobicContact CG2-CG2 4.25Å; I145-V224 HydrophobicContact CD1-CG2 3.97Å; S220-V224 WeakPolarHBondContact O-CG2 3.44Å; S220-V224 PolarHBondContact O-N 3.33Å; L221-V224 CarbonylContact O-C 3.22Å; L221-V224 PolarHBondContact O-N 2.91Å; V224-R226 PolarHBondContact O-N 3.15Å; V224-Y227 PolarHBondContact O-N 3.4Å; V224-F228 HydrophobicContact CG1-CB 4.42Å; V224-F228 HydrophobicContact CG1-CD2 4.32Å; V224-F228 VanDerWaalsContact O-CB 3.3Å; V224-F228 WeakPolarHBondContact O-CB 3.16Å; V224-F228 PolarHBondContact O-N 3.28Å; V224-M300 HydrophobicContact CG1-CB 3.81Å; V224-M300 HydrophobicContact CG1-CE 3.97Å; V224-L301 HydrophobicContact CG2-CD2 4.44Å; V224-C304 HydrophobicContact CB-CB 4.43Å; V224-C304 HydrophobicContact CG1-CB 3.62Å; V224-C304 HydrophobicContact CG2-CB 4.02Å |
| 225 | E | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 48.4 Ų | 48.4 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.7 | -36.3 | 179 | -76.4 | 171 | -177.1 | 0 | 0 | 112.6 | L221 V223 Y227 P229 M300 | L221-E225 WeakPolarHBondContact O-CB 3.32Å; L221-E225 VanDerWaalsContact O-CG 3.26Å; L221-E225 WeakPolarHBondContact O-CG 3.5Å; L221-E225 PolarHBondContact O-N 3.44Å; V223-E225 PolarHBondContact O-N 3.21Å; E225-Y227 PolarHBondContact O-N 2.78Å; E225-P229 VanDerWaalsContact O-CD 3.31Å; E225-P229 WeakPolarHBondContact O-CD 3.46Å; E225-M300 VanDerWaalsContact CA-CE 3.49Å; E225-M300 HydrophobicContact CB-CE 3.99Å; E225-M300 HydrophobicContact CG-CE 3.34Å; E225-M300 HydrophobicContact CG-SD 4.29Å |
| 226 | R | 98.1 | Very high | 97.9 | Very high | 172 Ų | 172 | 45 Ų | 45 | 65% | 0.649 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.8 | -38.1 | 176.5 | -179 | 176.9 | 174.2 | -172.6 | -6.8 | 112.9 | T222 V223 V224 E343 | T222-R226 PolarHBondContact O-N 3.28Å; V223-R226 WeakPolarHBondContact O-CB 3.25Å; V223-R226 PolarHBondContact O-N 3.41Å; V224-R226 PolarHBondContact O-N 3.15Å; R226-E343 IonicContact NH2-OE1 3.97Å |
| 227 | Y | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 11% | 0.114 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -95.2 | -25.7 | -175.2 | -69.5 | -86.4 | 0 | 0 | 0 | 113.2 | T137 T140 I141 R144 V223 V224 E225 Q230 Y231 E343 | T137-Y227 HydrophobicContact CG2-CD1 3.67Å; T137-Y227 HydrophobicContact CG2-CE1 4.36Å; T137-Y227 HydrophobicContact CG2-CG 4.31Å; T140-Y227 HydrophobicContact CG2-CE1 4.26Å; I141-Y227 HydrophobicContact CD1-CD2 4.44Å; I141-Y227 HydrophobicContact CD1-CG 4.08Å; I141-Y227 HydrophobicContact CG1-CD1 4.39Å; I141-Y227 HydrophobicContact CG1-CD2 3.76Å; I141-Y227 HydrophobicContact CG1-CE2 4.41Å; I141-Y227 HydrophobicContact CG1-CG 3.77Å; R144-Y227 WeakPolarHBondContact CD-OH 3.37Å; R144-Y227 PolarHBondContact NE-OH 2.89Å; R144-Y227 VanDerWaalsContact NE-OH 3.11Å; V223-Y227 HydrophobicContact CG1-CD2 4.3Å; V223-Y227 HydrophobicContact CG1-CE2 4.15Å; V223-Y227 VanDerWaalsContact O-CD2 3.29Å; V223-Y227 WeakPolarHBondContact O-CD2 3.42Å; V224-Y227 PolarHBondContact O-N 3.4Å; E225-Y227 PolarHBondContact O-N 2.78Å; Y227-Q230 PolarHBondContact O-N 3.02Å; Y227-Y231 VanDerWaalsContact O-CB 3.31Å; Y227-Y231 WeakPolarHBondContact O-CB 3.15Å; Y227-Y231 PolarHBondContact O-N 3.4Å; Y227-E343 PolarHBondContact OH-OE1 3.16Å |
| 228 | F | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.8 | -43.9 | -169.1 | -170 | -92.7 | 0 | 0 | 0 | 114.4 | V224 Q230 A232 L233 I238 W275 M300 | V224-F228 HydrophobicContact CG1-CB 4.42Å; V224-F228 HydrophobicContact CG1-CD2 4.32Å; V224-F228 VanDerWaalsContact O-CB 3.3Å; V224-F228 WeakPolarHBondContact O-CB 3.16Å; V224-F228 PolarHBondContact O-N 3.28Å; F228-Q230 PolarHBondContact O-N 2.78Å; F228-A232 HydrophobicContact CD1-CB 4.25Å; F228-A232 HydrophobicContact CD2-CB 3.62Å; F228-A232 HydrophobicContact CE1-CB 4.13Å; F228-A232 HydrophobicContact CE2-CB 3.47Å; F228-A232 VanDerWaalsContact CE2-CB 3.47Å; F228-A232 HydrophobicContact CG-CB 4.01Å; F228-A232 HydrophobicContact CZ-CB 3.76Å; F228-A232 WeakPolarHBondContact O-CA 3.32Å; F228-A232 VanDerWaalsContact O-CB 3.31Å; F228-A232 WeakPolarHBondContact O-CB 3.38Å; F228-A232 PolarHBondContact O-N 3.01Å; F228-L233 HydrophobicContact CD1-CD1 4.43Å; F228-L233 HydrophobicContact CD1-CG 4.26Å; F228-L233 HydrophobicContact CE1-CD1 4.35Å; F228-L233 HydrophobicContact CE1-CD2 3.83Å; F228-L233 HydrophobicContact CE1-CG 4.02Å; F228-L233 HydrophobicContact CZ-CD2 4.43Å; F228-L233 PolarHBondContact O-N 2.8Å; F228-I238 HydrophobicContact CE2-CD1 4.44Å; F228-I238 HydrophobicContact CZ-CD1 3.92Å; F228-W275 HydrophobicContact CD1-CZ2 4.32Å; F228-W275 AromaticContact CE1-CD2 3.63Å; F228-W275 HydrophobicContact CE1-CD2 3.63Å; F228-W275 AromaticContact CE1-CE2 3.46Å; F228-W275 VanDerWaalsContact CE1-CE2 3.46Å; F228-W275 AromaticContact CE1-CE3 3.88Å; F228-W275 HydrophobicContact CE1-CE3 3.88Å; F228-W275 HydrophobicContact CE1-CG 4.28Å; F228-W275 AromaticContact CE1-CH2 3.85Å; F228-W275 HydrophobicContact CE1-CH2 3.85Å; F228-W275 AromaticContact CE1-CZ2 3.59Å; F228-W275 HydrophobicContact CE1-CZ2 3.59Å; F228-W275 AromaticContact CE1-CZ3 3.99Å; F228-W275 HydrophobicContact CE1-CZ3 3.99Å; F228-W275 HydrophobicContact CZ-CD2 4.3Å; F228-W275 HydrophobicContact CZ-CE3 4.1Å; F228-W275 AromaticContact CZ-CH2 3.71Å; F228-W275 HydrophobicContact CZ-CH2 3.71Å; F228-W275 AromaticContact CZ-CZ2 3.91Å; F228-W275 HydrophobicContact CZ-CZ2 3.91Å; F228-W275 AromaticContact CZ-CZ3 3.81Å; F228-W275 HydrophobicContact CZ-CZ3 3.81Å; F228-M300 HydrophobicContact CB-CE 3.76Å; F228-M300 HydrophobicContact CD1-CE 4.29Å; F228-M300 HydrophobicContact CD1-CG 4.3Å; F228-M300 HydrophobicContact CD2-CB 4.1Å; F228-M300 HydrophobicContact CD2-CE 4.26Å; F228-M300 HydrophobicContact CD2-CG 3.8Å; F228-M300 HydrophobicContact CE1-CG 4.23Å; F228-M300 HydrophobicContact CE2-CB 4.13Å; F228-M300 HydrophobicContact CE2-CG 3.75Å; F228-M300 HydrophobicContact CG-CE 3.86Å; F228-M300 HydrophobicContact CG-CG 4.09Å; F228-M300 HydrophobicContact CZ-CG 3.96Å |
| 229 | P | 98.1 | Very high | 97.8 | Very high | 62 Ų | 62 | 40 Ų | 40 | 40% | 0.403 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -60.7 | -46.9 | 179.8 | -24.5 | 35.4 | 0 | 0 | 0 | 113 | E225 L233 Q234 | E225-P229 VanDerWaalsContact O-CD 3.31Å; E225-P229 WeakPolarHBondContact O-CD 3.46Å; P229-L233 WeakPolarHBondContact O-CB 2.97Å; P229-L233 PolarHBondContact O-N 2.73Å; P229-Q234 PolarHBondContact O-N 3.22Å |
| 230 | Q | 98.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 38.1 Ų | 38.1 | 46% | 0.458 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -71.4 | -51.6 | 179.2 | -174.8 | 60.7 | 53.3 | 0 | 0 | 111 | Y227 F228 Q234 D235 | Y227-Q230 PolarHBondContact O-N 3.02Å; F228-Q230 PolarHBondContact O-N 2.78Å; Q230-Q234 WeakPolarHBondContact O-CB 3.28Å; Q230-Q234 PolarHBondContact O-N 3.11Å; Q230-Q234 VanDerWaalsContact OE1-OE1 3.05Å; Q230-D235 PolarHBondContact NE2-OD1 3.1Å; Q230-D235 PolarHBondContact O-N 3.48Å |
| 231 | Y | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -70.1 | -58.3 | -173.4 | 169.1 | -106.2 | 0 | 0 | 0 | 112.3 | K134 T137 L138 Y227 D235 Q236 | K134-Y231 WeakPolarHBondContact O-CD2 3.43Å; K134-Y231 WeakPolarHBondContact O-CE2 3.05Å; T137-Y231 HydrophobicContact CG2-CD2 4.22Å; T137-Y231 HydrophobicContact CG2-CG 4.3Å; L138-Y231 WeakPolarHBondContact CD1-OH 3.24Å; L138-Y231 HydrophobicContact CD2-CE1 3.68Å; L138-Y231 HydrophobicContact CD2-CE2 4.31Å; L138-Y231 WeakPolarHBondContact CD2-OH 3.46Å; L138-Y231 HydrophobicContact CG-CE1 4.22Å; L138-Y231 HydrophobicContact CG-CE2 3.95Å; L138-Y231 VanDerWaalsContact CG-OH 3.26Å; L138-Y231 WeakPolarHBondContact CG-OH 3.49Å; Y227-Y231 VanDerWaalsContact O-CB 3.31Å; Y227-Y231 WeakPolarHBondContact O-CB 3.15Å; Y227-Y231 PolarHBondContact O-N 3.4Å; Y231-D235 WeakPolarHBondContact O-CB 3.41Å; Y231-D235 PolarHBondContact O-N 3.45Å; Y231-Q236 HydrophobicContact CD2-CG 4.15Å; Y231-Q236 HydrophobicContact CE1-CG 4.19Å; Y231-Q236 HydrophobicContact CE2-CG 3.57Å; Y231-Q236 WeakPolarHBondContact O-CB 3.22Å; Y231-Q236 WeakPolarHBondContact O-CG 3.33Å; Y231-Q236 PolarHBondContact O-N 2.96Å |
| 232 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -79.8 | -45.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F228 N237 I238 | F228-A232 HydrophobicContact CD1-CB 4.25Å; F228-A232 HydrophobicContact CD2-CB 3.62Å; F228-A232 HydrophobicContact CE1-CB 4.13Å; F228-A232 HydrophobicContact CE2-CB 3.47Å; F228-A232 VanDerWaalsContact CE2-CB 3.47Å; F228-A232 HydrophobicContact CG-CB 4.01Å; F228-A232 HydrophobicContact CZ-CB 3.76Å; F228-A232 WeakPolarHBondContact O-CA 3.32Å; F228-A232 VanDerWaalsContact O-CB 3.31Å; F228-A232 WeakPolarHBondContact O-CB 3.38Å; F228-A232 PolarHBondContact O-N 3.01Å; A232-N237 PolarHBondContact O-N 2.98Å; A232-N237 VanDerWaalsContact O-N 3.08Å; A232-I238 HydrophobicContact CB-CD1 3.97Å; A232-I238 HydrophobicContact CB-CG1 4.31Å; A232-I238 WeakPolarHBondContact O-CG1 3.34Å; A232-I238 PolarHBondContact O-N 3.21Å |
| 233 | L | 97.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -83.4 | -35 | -172.2 | -51.6 | 179.7 | 0 | 0 | 0 | 112.9 | F228 P229 N237 I238 L239 P271 E272 W275 | F228-L233 HydrophobicContact CD1-CD1 4.43Å; F228-L233 HydrophobicContact CD1-CG 4.26Å; F228-L233 HydrophobicContact CE1-CD1 4.35Å; F228-L233 HydrophobicContact CE1-CD2 3.83Å; F228-L233 HydrophobicContact CE1-CG 4.02Å; F228-L233 HydrophobicContact CZ-CD2 4.43Å; F228-L233 PolarHBondContact O-N 2.8Å; P229-L233 WeakPolarHBondContact O-CB 2.97Å; P229-L233 PolarHBondContact O-N 2.73Å; L233-N237 WeakPolarHBondContact O-CA 2.92Å; L233-I238 HydrophobicContact CD2-CD1 4.46Å; L233-I238 HydrophobicContact CD2-CG1 4.22Å; L233-L239 HydrophobicContact CD2-CD1 4.17Å; L233-P271 HydrophobicContact CB-CB 4.46Å; L233-E272 HydrophobicContact CB-CG 4.36Å; L233-E272 HydrophobicContact CD1-CG 4.19Å; L233-W275 HydrophobicContact CD1-CB 3.75Å; L233-W275 HydrophobicContact CD1-CG 3.85Å; L233-W275 HydrophobicContact CD2-CB 3.96Å; L233-W275 HydrophobicContact CD2-CD2 4.39Å; L233-W275 HydrophobicContact CD2-CE3 4.47Å; L233-W275 HydrophobicContact CD2-CG 4.16Å |
| 234 | Q | 96.6 | Very high | 96.2 | Very high | 94 Ų | 94 | 56.4 Ų | 56.4 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -98.5 | -57.9 | 179.7 | -59.9 | -179.5 | 10.2 | 0 | 0 | 112.5 | P229 Q230 E272 | P229-Q234 PolarHBondContact O-N 3.22Å; Q230-Q234 WeakPolarHBondContact O-CB 3.28Å; Q230-Q234 PolarHBondContact O-N 3.11Å; Q230-Q234 VanDerWaalsContact OE1-OE1 3.05Å; Q234-E272 VanDerWaalsContact CG-OE1 3.28Å; Q234-E272 WeakPolarHBondContact CG-OE1 3.1Å; Q234-E272 PolarHBondContact NE2-OE1 3.47Å |
| 235 | D | 96.9 | Very high | 96 | Very high | 38 Ų | 38 | 57.5 Ų | 57.5 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -71.8 | -46.5 | -169.6 | -68.6 | -28 | 0 | 0 | 0 | 112.7 | K134 Q230 Y231 | K134-D235 HydrophobicContact CB-CB 4.03Å; K134-D235 HydrophobicContact CD-CB 4.03Å; K134-D235 HydrophobicContact CG-CB 3.95Å; K134-D235 PolarHBondContact NZ-O 3.27Å; Q230-D235 PolarHBondContact NE2-OD1 3.1Å; Q230-D235 PolarHBondContact O-N 3.48Å; Y231-D235 WeakPolarHBondContact O-CB 3.41Å; Y231-D235 PolarHBondContact O-N 3.45Å |
| 236 | Q | 97.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -87.2 | -20.3 | 175.4 | -61.2 | -54 | -47.5 | 0 | 0 | 113.1 | S124 C125 Y231 I238 | S124-Q236 PolarHBondContact OG-O 3.24Å; S124-Q236 PolarHBondContact OG-OE1 3.15Å; C125-Q236 PolarHBondContact SG-NE2 2.88Å; Y231-Q236 HydrophobicContact CD2-CG 4.15Å; Y231-Q236 HydrophobicContact CE1-CG 4.19Å; Y231-Q236 HydrophobicContact CE2-CG 3.57Å; Y231-Q236 WeakPolarHBondContact O-CB 3.22Å; Y231-Q236 WeakPolarHBondContact O-CG 3.33Å; Y231-Q236 PolarHBondContact O-N 2.96Å; Q236-I238 VanDerWaalsContact C-N 3.32Å; Q236-I238 HydrophobicContact CB-CG2 3.83Å; Q236-I238 PolarHBondContact O-N 3.14Å |
| 237 | N | 96.5 | Very high | 95.7 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | trans | 49.7 | 47.9 | 178.7 | -165.7 | 18.1 | 0 | 0 | 0 | 113.7 | A232 L233 L239 G240 P271 | A232-N237 PolarHBondContact O-N 2.98Å; A232-N237 VanDerWaalsContact O-N 3.08Å; L233-N237 WeakPolarHBondContact O-CA 2.92Å; N237-L239 PolarHBondContact O-N 3.17Å; N237-G240 PolarHBondContact O-N 2.98Å; N237-G240 WeakPolarHBondContact OD1-CA 3.34Å; N237-G240 PolarHBondContact OD1-N 3.04Å; N237-P271 WeakPolarHBondContact OD1-CG 3.26Å | ||
| 238 | I | 97.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.3 | -171.1 | 64.2 | 165.2 | 0 | 0 | 0 | 114 | F228 A232 L233 Q236 S244 E245 V248 Y303 | F228-I238 HydrophobicContact CE2-CD1 4.44Å; F228-I238 HydrophobicContact CZ-CD1 3.92Å; A232-I238 HydrophobicContact CB-CD1 3.97Å; A232-I238 HydrophobicContact CB-CG1 4.31Å; A232-I238 WeakPolarHBondContact O-CG1 3.34Å; A232-I238 PolarHBondContact O-N 3.21Å; L233-I238 HydrophobicContact CD2-CD1 4.46Å; L233-I238 HydrophobicContact CD2-CG1 4.22Å; Q236-I238 VanDerWaalsContact C-N 3.32Å; Q236-I238 HydrophobicContact CB-CG2 3.83Å; Q236-I238 PolarHBondContact O-N 3.14Å; I238-S244 CarbonylContact O-C 3.11Å; I238-S244 VanDerWaalsContact O-CB 3.23Å; I238-S244 WeakPolarHBondContact O-CB 3.35Å; I238-E245 PolarHBondContact O-N 3.22Å; I238-V248 HydrophobicContact CB-CG2 4.19Å; I238-V248 HydrophobicContact CD1-CG2 3.98Å; I238-V248 HydrophobicContact CG1-CG2 4.27Å; I238-Y303 HydrophobicContact CB-CE1 4.04Å; I238-Y303 HydrophobicContact CD1-CD1 4.21Å; I238-Y303 HydrophobicContact CD1-CE1 4.24Å; I238-Y303 HydrophobicContact CD1-CG 4.38Å; I238-Y303 HydrophobicContact CG2-CD1 3.75Å; I238-Y303 HydrophobicContact CG2-CE1 3.53Å |
| 239 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 11.3 | 178 | -70.1 | 176.3 | 0 | 0 | 0 | 113.3 | L233 N237 E245 V248 F265 P271 R274 W275 I278 | L233-L239 HydrophobicContact CD2-CD1 4.17Å; N237-L239 PolarHBondContact O-N 3.17Å; L239-E245 HydrophobicContact CD2-CG 4.48Å; L239-V248 HydrophobicContact CD2-CB 3.92Å; L239-V248 HydrophobicContact CD2-CG1 3.92Å; L239-V248 HydrophobicContact CD2-CG2 4.02Å; L239-F265 HydrophobicContact CD2-CE2 4.02Å; L239-F265 HydrophobicContact CD2-CZ 4.43Å; L239-P271 HydrophobicContact CB-CB 4.13Å; L239-R274 HydrophobicContact CB-CB 4.37Å; L239-R274 HydrophobicContact CD1-CB 3.93Å; L239-R274 WeakPolarHBondContact O-CD 3.46Å; L239-R274 PolarHBondContact O-NH1 3.08Å; L239-W275 HydrophobicContact CD1-CB 4.01Å; L239-W275 HydrophobicContact CD1-CE3 4.12Å; L239-I278 HydrophobicContact CD1-CD1 3.98Å; L239-I278 HydrophobicContact CD2-CD1 4.2Å |
| 240 | G | 93 | Very high | 95.3 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -14.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | N237 | N237-G240 PolarHBondContact O-N 2.98Å; N237-G240 WeakPolarHBondContact OD1-CA 3.34Å; N237-G240 PolarHBondContact OD1-N 3.04Å |
| 241 | R | 90.2 | Very high | 95.1 | Very high | 166 Ų | 166 | 48 Ų | 48 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -120.7 | 144.7 | 176.6 | -62.3 | -177.7 | -174.4 | 175.5 | 3.4 | 109.8 | E243 S244 E245 | R241-E243 VanDerWaalsContact C-N 3.31Å; R241-E243 PolarHBondContact O-N 3.16Å; R241-S244 PolarHBondContact O-N 2.85Å; R241-S244 VanDerWaalsContact O-N 3.14Å; R241-E245 VanDerWaalsContact O-CB 3.27Å; R241-E245 WeakPolarHBondContact O-CB 3.24Å; R241-E245 PolarHBondContact O-N 2.92Å |
| 242 | K | 90.3 | Very high | 94.8 | Very high | 150 Ų | 150 | 48.4 Ų | 48.4 | 65% | 0.652 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -54.4 | -44.9 | -178.1 | -171.3 | 176 | 178.5 | -176.3 | 0 | 112.6 | S244 E245 E246 | K242-S244 PolarHBondContact O-N 2.89Å; K242-E245 PolarHBondContact O-N 3.15Å; K242-E246 WeakPolarHBondContact CE-OE1 3.33Å; K242-E246 WeakPolarHBondContact O-CB 3.36Å; K242-E246 VanDerWaalsContact O-CG 3.27Å; K242-E246 WeakPolarHBondContact O-CG 3.25Å; K242-E246 PolarHBondContact O-N 3.49Å |
| 243 | E | 91.5 | Very high | 94 | Very high | 151 Ų | 151 | 50.3 Ų | 50.3 | 71% | 0.706 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 178.8 | -64.2 | 173.6 | -174.4 | 0 | 0 | 113 | R241 K247 | R241-E243 VanDerWaalsContact C-N 3.31Å; R241-E243 PolarHBondContact O-N 3.16Å; E243-K247 PolarHBondContact O-N 3.18Å |
| 244 | S | 92.4 | Very high | 93.2 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.1 | -40.4 | 178.8 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | I238 R241 K242 E246 K247 V248 | I238-S244 CarbonylContact O-C 3.11Å; I238-S244 VanDerWaalsContact O-CB 3.23Å; I238-S244 WeakPolarHBondContact O-CB 3.35Å; R241-S244 PolarHBondContact O-N 2.85Å; R241-S244 VanDerWaalsContact O-N 3.14Å; K242-S244 PolarHBondContact O-N 2.89Å; S244-E246 PolarHBondContact O-N 3.1Å; S244-K247 WeakPolarHBondContact O-CB 3.16Å; S244-K247 PolarHBondContact O-N 3.19Å; S244-V248 PolarHBondContact O-N 3.03Å; S244-V248 VanDerWaalsContact O-N 3.12Å |
| 245 | E | 94.5 | Very high | 92.5 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 175 | -179.9 | -164.9 | 136.2 | 0 | 0 | 111.2 | I238 L239 R241 K242 K247 V248 L249 F265 R274 | I238-E245 PolarHBondContact O-N 3.22Å; L239-E245 HydrophobicContact CD2-CG 4.48Å; R241-E245 VanDerWaalsContact O-CB 3.27Å; R241-E245 WeakPolarHBondContact O-CB 3.24Å; R241-E245 PolarHBondContact O-N 2.92Å; K242-E245 PolarHBondContact O-N 3.15Å; E245-K247 VanDerWaalsContact C-N 3.29Å; E245-K247 PolarHBondContact O-N 3.34Å; E245-V248 PolarHBondContact O-N 3.36Å; E245-V248 VanDerWaalsContact O-N 3.11Å; E245-L249 HydrophobicContact CG-CD1 3.98Å; E245-L249 HydrophobicContact CG-CG 4.42Å; E245-L249 WeakPolarHBondContact O-CB 3.27Å; E245-L249 WeakPolarHBondContact O-CG 3.48Å; E245-L249 PolarHBondContact O-N 3.11Å; E245-F265 HydrophobicContact CG-CD2 3.6Å; E245-F265 HydrophobicContact CG-CE2 3.99Å; E245-F265 WeakPolarHBondContact OE1-CD2 3.43Å; E245-R274 IonicContact OE2-CZ 3.48Å; E245-R274 IonicContact OE2-NH1 2.7Å; E245-R274 PolarHBondContact OE2-NH1 2.94Å; E245-R274 IonicContact OE2-NH2 3.62Å |
| 246 | E | 94.3 | Very high | 91.9 | Very high | 94 Ų | 94 | 57.6 Ų | 57.6 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 176.8 | -77.3 | 172.1 | -175.8 | 0 | 0 | 112.1 | K242 S244 L249 A250 | K242-E246 WeakPolarHBondContact CE-OE1 3.33Å; K242-E246 WeakPolarHBondContact O-CB 3.36Å; K242-E246 VanDerWaalsContact O-CG 3.27Å; K242-E246 WeakPolarHBondContact O-CG 3.25Å; K242-E246 PolarHBondContact O-N 3.49Å; S244-E246 PolarHBondContact O-N 3.1Å; E246-L249 PolarHBondContact O-N 2.9Å; E246-A250 WeakPolarHBondContact O-CB 3.16Å; E246-A250 PolarHBondContact O-N 3.25Å |
| 247 | K | 95.2 | Very high | 91.4 | Very high | 115 Ų | 115 | 57.7 Ų | 57.7 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 173.4 | -69.4 | -179.7 | 178 | -171.9 | 0 | 112.2 | E243 S244 E245 A250 | E243-K247 PolarHBondContact O-N 3.18Å; S244-K247 WeakPolarHBondContact O-CB 3.16Å; S244-K247 PolarHBondContact O-N 3.19Å; E245-K247 VanDerWaalsContact C-N 3.29Å; E245-K247 PolarHBondContact O-N 3.34Å; K247-A250 PolarHBondContact O-N 3.08Å |
| 248 | V | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | I238 L239 S244 E245 A250 L251 I278 I299 Y303 | I238-V248 HydrophobicContact CB-CG2 4.19Å; I238-V248 HydrophobicContact CD1-CG2 3.98Å; I238-V248 HydrophobicContact CG1-CG2 4.27Å; L239-V248 HydrophobicContact CD2-CB 3.92Å; L239-V248 HydrophobicContact CD2-CG1 3.92Å; L239-V248 HydrophobicContact CD2-CG2 4.02Å; S244-V248 PolarHBondContact O-N 3.03Å; S244-V248 VanDerWaalsContact O-N 3.12Å; E245-V248 PolarHBondContact O-N 3.36Å; E245-V248 VanDerWaalsContact O-N 3.11Å; V248-A250 PolarHBondContact O-N 3.18Å; V248-L251 WeakPolarHBondContact O-CB 3.34Å; V248-L251 PolarHBondContact O-N 3.02Å; V248-I278 HydrophobicContact CG1-CD1 4.02Å; V248-I299 HydrophobicContact CG1-CD1 4.09Å; V248-I299 HydrophobicContact CG1-CG2 4.17Å; V248-Y303 HydrophobicContact CG2-CE2 4.15Å; V248-Y303 WeakPolarHBondContact CG2-OH 3.48Å |
| 249 | L | 95.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.5 | -25 | 179.3 | -70.9 | 174.5 | 0 | 0 | 0 | 113 | E245 E246 L251 V252 K258 L261 Q262 F265 | E245-L249 HydrophobicContact CG-CD1 3.98Å; E245-L249 HydrophobicContact CG-CG 4.42Å; E245-L249 WeakPolarHBondContact O-CB 3.27Å; E245-L249 WeakPolarHBondContact O-CG 3.48Å; E245-L249 PolarHBondContact O-N 3.11Å; E246-L249 PolarHBondContact O-N 2.9Å; L249-L251 PolarHBondContact O-N 3.21Å; L249-V252 WeakPolarHBondContact O-CB 3.36Å; L249-V252 PolarHBondContact O-N 3.37Å; L249-K258 HydrophobicContact CB-CG 4.3Å; L249-L261 HydrophobicContact CD2-CB 3.79Å; L249-L261 HydrophobicContact CD2-CD1 4.09Å; L249-Q262 HydrophobicContact CD1-CG 3.57Å; L249-F265 HydrophobicContact CD1-CD2 4.38Å; L249-F265 HydrophobicContact CD2-CE2 4.02Å; L249-F265 HydrophobicContact CG-CE2 4.39Å |
| 250 | A | 94.5 | Very high | 90.7 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V204 E246 K247 V248 | V204-A250 HydrophobicContact CG1-CB 3.81Å; E246-A250 WeakPolarHBondContact O-CB 3.16Å; E246-A250 PolarHBondContact O-N 3.25Å; K247-A250 PolarHBondContact O-N 3.08Å; V248-A250 PolarHBondContact O-N 3.18Å |
| 251 | L | 94.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -10.7 | 176.7 | -53.8 | 179.5 | 0 | 0 | 0 | 113 | V204 K205 V248 L249 I299 Q302 Y303 | V204-L251 HydrophobicContact CG1-CD2 4.08Å; V204-L251 VanDerWaalsContact O-CD2 3.25Å; V204-L251 WeakPolarHBondContact O-CD2 3.38Å; K205-L251 HydrophobicContact CB-CD2 4.12Å; K205-L251 HydrophobicContact CG-CD2 4.46Å; K205-L251 PolarHBondContact NZ-O 3.24Å; K205-L251 VanDerWaalsContact NZ-O 3.17Å; V248-L251 WeakPolarHBondContact O-CB 3.34Å; V248-L251 PolarHBondContact O-N 3.02Å; L249-L251 PolarHBondContact O-N 3.21Å; L251-I299 HydrophobicContact CB-CD1 4.45Å; L251-I299 HydrophobicContact CB-CG1 3.82Å; L251-I299 HydrophobicContact CD1-CG1 3.92Å; L251-Q302 HydrophobicContact CD1-CG 4.48Å; L251-Y303 HydrophobicContact CD1-CD2 4.49Å; L251-Y303 HydrophobicContact CD1-CE2 3.87Å |
| 252 | V | 92.4 | Very high | 90.9 | Very high | 12 Ų | 12 | 61 Ų | 61 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -76.9 | 129.5 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | L249 E254 V257 L261 F295 | L249-V252 WeakPolarHBondContact O-CB 3.36Å; L249-V252 PolarHBondContact O-N 3.37Å; V252-E254 PolarHBondContact O-N 3.01Å; V252-V257 HydrophobicContact CG1-CB 3.97Å; V252-V257 HydrophobicContact CG1-CG1 3.71Å; V252-L261 HydrophobicContact CG1-CD1 4.4Å; V252-L261 HydrophobicContact CG2-CD1 4.18Å; V252-F295 HydrophobicContact CG2-CD2 4.48Å |
| 253 | P | 81.1 | Confident | 91.2 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 26% | 0.26 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -75.6 | -17.2 | -164.9 | 31.1 | -41.8 | 0 | 0 | 0 | 116.3 | W292 F295 | P253-W292 HydrophobicContact CB-CB 3.53Å; P253-W292 HydrophobicContact CB-CD2 3.61Å; P253-W292 HydrophobicContact CB-CE3 4.08Å; P253-W292 HydrophobicContact CB-CG 3.38Å; P253-W292 HydrophobicContact CG-CB 3.47Å; P253-W292 VanDerWaalsContact CG-CB 3.47Å; P253-W292 HydrophobicContact CG-CG 3.91Å; P253-F295 HydrophobicContact CG-CB 4.5Å; P253-F295 HydrophobicContact CG-CD1 4.18Å |
| 254 | E | 80.6 | Confident | 91.3 | Very high | 57 Ų | 57 | 54.8 Ų | 54.8 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | trans | -131.5 | 134.4 | -173.1 | -71.1 | -177.9 | -158.9 | 0 | 0 | 111.8 | V252 I256 V257 K258 K285 | V252-E254 PolarHBondContact O-N 3.01Å; E254-I256 PolarHBondContact O-N 2.76Å; E254-V257 HydrophobicContact CB-CB 4.37Å; E254-V257 HydrophobicContact CB-CG2 4.05Å; E254-V257 PolarHBondContact O-N 2.87Å; E254-K258 WeakPolarHBondContact O-CB 3.47Å; E254-K258 PolarHBondContact O-N 3.03Å; E254-K285 IonicContact OE1-NZ 2.82Å; E254-K285 PolarHBondContact OE1-NZ 2.75Å; E254-K285 WeakPolarHBondContact OE2-CE 3.38Å; E254-K285 IonicContact OE2-NZ 3.78Å; E254-K285 PolarHBondContact OE2-NZ 3.47Å | ||
| 255 | D | 81.2 | Confident | 91.4 | Very high | 122 Ų | 122 | 53.9 Ų | 53.9 | 65% | 0.652 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61 | -31 | 179 | -70.8 | -32.8 | 0 | 0 | 0 | 113 | K259 | D255-K259 WeakPolarHBondContact O-CB 3.34Å; D255-K259 VanDerWaalsContact O-CG 3.24Å; D255-K259 WeakPolarHBondContact O-CG 3.2Å; D255-K259 PolarHBondContact O-N 2.78Å |
| 256 | I | 84.5 | Confident | 91.3 | Very high | 112 Ų | 112 | 59.1 Ų | 59.1 | 57% | 0.574 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.6 | -51.2 | 177.7 | -61.7 | 173.8 | 0 | 0 | 0 | 110 | E254 K258 K259 E260 | E254-I256 PolarHBondContact O-N 2.76Å; I256-K258 VanDerWaalsContact C-N 3.26Å; I256-K258 PolarHBondContact O-N 2.92Å; I256-K259 PolarHBondContact O-N 2.6Å; I256-E260 WeakPolarHBondContact O-CG 3.49Å; I256-E260 PolarHBondContact O-N 3.21Å |
| 257 | V | 87.1 | Confident | 91.2 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -39.8 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | V252 E254 E260 L261 Q281 F295 | V252-V257 HydrophobicContact CG1-CB 3.97Å; V252-V257 HydrophobicContact CG1-CG1 3.71Å; E254-V257 HydrophobicContact CB-CB 4.37Å; E254-V257 HydrophobicContact CB-CG2 4.05Å; E254-V257 PolarHBondContact O-N 2.87Å; V257-E260 PolarHBondContact O-N 2.71Å; V257-L261 HydrophobicContact CG1-CD1 4.07Å; V257-L261 WeakPolarHBondContact O-CB 3.3Å; V257-L261 WeakPolarHBondContact O-CG 3.31Å; V257-L261 PolarHBondContact O-N 3.36Å; V257-Q281 HydrophobicContact CG1-CB 4.06Å; V257-Q281 HydrophobicContact CG1-CG 4.35Å; V257-F295 HydrophobicContact CG1-CZ 4.41Å |
| 258 | K | 90.7 | Very high | 91.2 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 27% | 0.265 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 175.4 | -175.8 | 176.9 | 179 | 179.4 | 0 | 112 | L249 E254 I256 L261 Q262 | L249-K258 HydrophobicContact CB-CG 4.3Å; E254-K258 WeakPolarHBondContact O-CB 3.47Å; E254-K258 PolarHBondContact O-N 3.03Å; I256-K258 VanDerWaalsContact C-N 3.26Å; I256-K258 PolarHBondContact O-N 2.92Å; K258-L261 PolarHBondContact O-N 3.06Å; K258-Q262 WeakPolarHBondContact O-CB 3.36Å; K258-Q262 VanDerWaalsContact O-CG 3.26Å; K258-Q262 WeakPolarHBondContact O-CG 3.27Å; K258-Q262 PolarHBondContact O-N 2.8Å |
| 259 | K | 92.1 | Very high | 91 | Very high | 130 Ų | 130 | 67.6 Ų | 67.6 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 177.3 | -76.9 | 174.3 | -179 | -177.8 | 0 | 112.1 | D255 I256 L261 Q262 E263 | D255-K259 WeakPolarHBondContact O-CB 3.34Å; D255-K259 VanDerWaalsContact O-CG 3.24Å; D255-K259 WeakPolarHBondContact O-CG 3.2Å; D255-K259 PolarHBondContact O-N 2.78Å; I256-K259 PolarHBondContact O-N 2.6Å; K259-L261 VanDerWaalsContact C-N 3.33Å; K259-L261 PolarHBondContact O-N 3.03Å; K259-Q262 WeakPolarHBondContact O-CB 3.29Å; K259-Q262 PolarHBondContact O-N 2.9Å; K259-Q262 VanDerWaalsContact O-N 3.17Å; K259-E263 WeakPolarHBondContact O-CG 3.28Å; K259-E263 PolarHBondContact O-N 3.18Å |
| 260 | E | 92.6 | Very high | 91 | Very high | 66 Ų | 66 | 70.4 Ų | 70.4 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.6 | -45.7 | 175.8 | -72 | 179.7 | -167.3 | 0 | 0 | 111.5 | I256 V257 E263 I264 Q281 | I256-E260 WeakPolarHBondContact O-CG 3.49Å; I256-E260 PolarHBondContact O-N 3.21Å; V257-E260 PolarHBondContact O-N 2.71Å; E260-E263 PolarHBondContact O-N 2.93Å; E260-I264 VanDerWaalsContact O-CG1 3.29Å; E260-I264 WeakPolarHBondContact O-CG1 3.42Å; E260-I264 PolarHBondContact O-N 2.89Å; E260-I264 VanDerWaalsContact O-N 3.11Å; E260-Q281 PolarHBondContact OE2-NE2 3.07Å |
| 261 | L | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 176.7 | -71.9 | 169.5 | 0 | 0 | 0 | 112.1 | L249 V252 V257 K258 K259 E263 I264 F265 H277 I278 Q281 | L249-L261 HydrophobicContact CD2-CB 3.79Å; L249-L261 HydrophobicContact CD2-CD1 4.09Å; V252-L261 HydrophobicContact CG1-CD1 4.4Å; V252-L261 HydrophobicContact CG2-CD1 4.18Å; V257-L261 HydrophobicContact CG1-CD1 4.07Å; V257-L261 WeakPolarHBondContact O-CB 3.3Å; V257-L261 WeakPolarHBondContact O-CG 3.31Å; V257-L261 PolarHBondContact O-N 3.36Å; K258-L261 PolarHBondContact O-N 3.06Å; K259-L261 VanDerWaalsContact C-N 3.33Å; K259-L261 PolarHBondContact O-N 3.03Å; L261-E263 PolarHBondContact O-N 2.85Å; L261-I264 PolarHBondContact O-N 3.36Å; L261-F265 HydrophobicContact CD2-CE1 4.31Å; L261-F265 HydrophobicContact CD2-CZ 4.36Å; L261-F265 WeakPolarHBondContact O-CB 3.43Å; L261-F265 VanDerWaalsContact O-CD1 3.24Å; L261-F265 WeakPolarHBondContact O-CD1 3.33Å; L261-F265 WeakPolarHBondContact O-CG 3.46Å; L261-F265 PolarHBondContact O-N 2.93Å; L261-H277 HydrophobicContact CD2-CB 4.14Å; L261-I278 HydrophobicContact CD1-CG1 4.15Å; L261-I278 HydrophobicContact CD2-CG1 4.04Å; L261-Q281 HydrophobicContact CD2-CG 4.1Å; L261-Q281 HydrophobicContact CG-CG 4.44Å |
| 262 | Q | 94.3 | Very high | 91.2 | Very high | 71 Ų | 71 | 70.9 Ų | 70.9 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 176.6 | -77.1 | 176 | -36.7 | 0 | 0 | 112.1 | L249 K258 K259 F265 Q266 | L249-Q262 HydrophobicContact CD1-CG 3.57Å; K258-Q262 WeakPolarHBondContact O-CB 3.36Å; K258-Q262 VanDerWaalsContact O-CG 3.26Å; K258-Q262 WeakPolarHBondContact O-CG 3.27Å; K258-Q262 PolarHBondContact O-N 2.8Å; K259-Q262 WeakPolarHBondContact O-CB 3.29Å; K259-Q262 PolarHBondContact O-N 2.9Å; K259-Q262 VanDerWaalsContact O-N 3.17Å; Q262-F265 PolarHBondContact O-N 2.86Å; Q262-Q266 WeakPolarHBondContact O-CG 3.21Å; Q262-Q266 PolarHBondContact O-N 2.88Å |
| 263 | E | 94.6 | Very high | 91.4 | Very high | 124 Ų | 124 | 76.7 Ų | 76.7 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.6 | -48.1 | 175.4 | -71.9 | 171.2 | -173.5 | 0 | 0 | 111 | K259 E260 L261 F265 Q266 | K259-E263 WeakPolarHBondContact O-CG 3.28Å; K259-E263 PolarHBondContact O-N 3.18Å; E260-E263 PolarHBondContact O-N 2.93Å; L261-E263 PolarHBondContact O-N 2.85Å; E263-F265 VanDerWaalsContact C-N 3.26Å; E263-F265 PolarHBondContact O-N 3.37Å; E263-Q266 WeakPolarHBondContact O-CB 3.31Å; E263-Q266 PolarHBondContact O-N 3.38Å; E263-Q266 VanDerWaalsContact O-N 3.08Å |
| 264 | I | 94 | Very high | 92.2 | Very high | 47 Ų | 47 | 75 Ų | 75 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 176.4 | -66.7 | 165.7 | 0 | 0 | 0 | 111.1 | E260 L261 Q266 E267 E268 H277 | E260-I264 VanDerWaalsContact O-CG1 3.29Å; E260-I264 WeakPolarHBondContact O-CG1 3.42Å; E260-I264 PolarHBondContact O-N 2.89Å; E260-I264 VanDerWaalsContact O-N 3.11Å; L261-I264 PolarHBondContact O-N 3.36Å; I264-Q266 PolarHBondContact O-N 3.04Å; I264-E267 PolarHBondContact O-N 3.39Å; I264-E268 PolarHBondContact O-N 2.94Å; I264-H277 HydrophobicContact CG2-CB 4.31Å |
| 265 | F | 94.7 | Very high | 93 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.4 | -13.8 | -177.6 | -68.2 | 3.2 | 0 | 0 | 0 | 112.9 | L239 E245 L249 L261 Q262 E263 E267 E268 R274 I278 | L239-F265 HydrophobicContact CD2-CE2 4.02Å; L239-F265 HydrophobicContact CD2-CZ 4.43Å; E245-F265 HydrophobicContact CG-CD2 3.6Å; E245-F265 HydrophobicContact CG-CE2 3.99Å; E245-F265 WeakPolarHBondContact OE1-CD2 3.43Å; L249-F265 HydrophobicContact CD1-CD2 4.38Å; L249-F265 HydrophobicContact CD2-CE2 4.02Å; L249-F265 HydrophobicContact CG-CE2 4.39Å; L261-F265 HydrophobicContact CD2-CE1 4.31Å; L261-F265 HydrophobicContact CD2-CZ 4.36Å; L261-F265 WeakPolarHBondContact O-CB 3.43Å; L261-F265 VanDerWaalsContact O-CD1 3.24Å; L261-F265 WeakPolarHBondContact O-CD1 3.33Å; L261-F265 WeakPolarHBondContact O-CG 3.46Å; L261-F265 PolarHBondContact O-N 2.93Å; Q262-F265 PolarHBondContact O-N 2.86Å; E263-F265 VanDerWaalsContact C-N 3.26Å; E263-F265 PolarHBondContact O-N 3.37Å; F265-E267 VanDerWaalsContact C-N 3.3Å; F265-E268 VanDerWaalsContact O-O 3.13Å; F265-R274 HydrophobicContact CD1-CB 3.97Å; F265-R274 HydrophobicContact CD1-CG 3.6Å; F265-R274 HydrophobicContact CE1-CB 3.47Å; F265-R274 VanDerWaalsContact CE1-CB 3.47Å; F265-R274 HydrophobicContact CE1-CG 3.68Å; F265-R274 HydrophobicContact CE2-CB 4.44Å; F265-R274 HydrophobicContact CG-CG 4.14Å; F265-R274 HydrophobicContact CZ-CB 3.73Å; F265-R274 HydrophobicContact CZ-CG 4.23Å; F265-R274 PolarHBondContact O-NH2 3.14Å; F265-I278 HydrophobicContact CZ-CD1 4.01Å; F265-I278 HydrophobicContact CZ-CG1 3.99Å |
| 266 | Q | 92.2 | Very high | 93.8 | Very high | 134 Ų | 134 | 74 Ų | 74 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.8 | -34.9 | 170.8 | -67.4 | 176.1 | 17.2 | 0 | 0 | 111.9 | Q262 E263 I264 R269 | Q262-Q266 WeakPolarHBondContact O-CG 3.21Å; Q262-Q266 PolarHBondContact O-N 2.88Å; E263-Q266 WeakPolarHBondContact O-CB 3.31Å; E263-Q266 PolarHBondContact O-N 3.38Å; E263-Q266 VanDerWaalsContact O-N 3.08Å; I264-Q266 PolarHBondContact O-N 3.04Å; Q266-R269 PolarHBondContact O-NE 2.81Å; Q266-R269 PolarHBondContact O-NH2 3.39Å |
| 267 | E | 93.1 | Very high | 94.3 | Very high | 177 Ų | 177 | 72.1 Ų | 72.1 | 83% | 0.827 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -95.3 | -46.2 | -177.6 | -61 | -175.6 | 173 | 0 | 0 | 112 | I264 F265 | I264-E267 PolarHBondContact O-N 3.39Å; F265-E267 VanDerWaalsContact C-N 3.3Å |
| 268 | E | 95.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 71.9 Ų | 71.9 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | trans | -83.7 | 127.5 | -179.1 | -176.5 | 51.8 | -98.4 | 0 | 0 | 110.7 | I264 F265 N270 R273 R274 | I264-E268 PolarHBondContact O-N 2.94Å; F265-E268 VanDerWaalsContact O-O 3.13Å; E268-N270 VanDerWaalsContact OE1-CB 3.3Å; E268-N270 WeakPolarHBondContact OE1-CB 3.47Å; E268-N270 PolarHBondContact OE1-N 3.15Å; E268-R273 VanDerWaalsContact CD-CD 3.46Å; E268-R273 HydrophobicContact CG-CB 3.7Å; E268-R273 WeakPolarHBondContact OE2-CD 3.45Å; E268-R273 IonicContact OE2-NE 3.97Å; E268-R273 IonicContact OE2-NH1 3.31Å; E268-R273 PolarHBondContact OE2-NH1 2.92Å; E268-R274 HydrophobicContact CB-CG 4.49Å; E268-R274 HydrophobicContact CG-CG 4.06Å; E268-R274 VanDerWaalsContact O-CZ 3.24Å; E268-R274 PolarHBondContact O-NE 3.45Å; E268-R274 PolarHBondContact O-NH2 2.77Å | ||
| 269 | R | 92.8 | Very high | 95 | Very high | 172 Ų | 172 | 72 Ų | 72 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | trans | -112.4 | -16.6 | -177 | -60.2 | -62.5 | 175.3 | 173.7 | -4.6 | 113.4 | Q266 P271 | Q266-R269 PolarHBondContact O-NE 2.81Å; Q266-R269 PolarHBondContact O-NH2 3.39Å; R269-P271 WeakPolarHBondContact O-CD 3.48Å | ||
| 270 | N | 95.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 68.4 Ų | 68.4 | 32% | 0.316 | 31% | 0.313 | S | S | . | . | trans | -78.1 | 120.4 | 179.6 | 174.3 | -96.9 | 0 | 0 | 0 | 110.7 | E268 E272 R273 R274 | E268-N270 VanDerWaalsContact OE1-CB 3.3Å; E268-N270 WeakPolarHBondContact OE1-CB 3.47Å; E268-N270 PolarHBondContact OE1-N 3.15Å; N270-E272 VanDerWaalsContact C-N 3.29Å; N270-E272 VanDerWaalsContact CG-OE2 3.28Å; N270-E272 PolarHBondContact ND2-OE2 3.17Å; N270-E272 PolarHBondContact O-N 3.4Å; N270-E272 WeakPolarHBondContact OD1-CB 3.43Å; N270-E272 PolarHBondContact OD1-N 3.39Å; N270-E272 PolarHBondContact OD1-OE2 2.99Å; N270-R273 HydrophobicContact CB-CB 4.21Å; N270-R273 HydrophobicContact CB-CG 4.23Å; N270-R273 PolarHBondContact O-N 3.47Å; N270-R273 WeakPolarHBondContact OD1-CG 3.35Å; N270-R273 PolarHBondContact OD1-N 3.26Å; N270-R274 WeakPolarHBondContact O-CG 3.46Å; N270-R274 PolarHBondContact O-N 3.17Å | ||
| 271 | P | 95.4 | Very high | 95 | Very high | 17 Ų | 17 | 66.5 Ų | 66.5 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.6 | -38.4 | -178.8 | -28 | 36.2 | 0 | 0 | 0 | 114.2 | L233 N237 L239 R269 R274 W275 | L233-P271 HydrophobicContact CB-CB 4.46Å; N237-P271 WeakPolarHBondContact OD1-CG 3.26Å; L239-P271 HydrophobicContact CB-CB 4.13Å; R269-P271 WeakPolarHBondContact O-CD 3.48Å; P271-R274 PolarHBondContact O-N 2.98Å; P271-W275 PolarHBondContact O-N 3.46Å |
| 272 | E | 96.2 | Very high | 94.9 | Very high | 43 Ų | 43 | 66.5 Ų | 66.5 | 20% | 0.201 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 179.9 | -61.9 | 87.2 | 164.8 | 0 | 0 | 112.4 | L233 Q234 N270 W275 R276 | L233-E272 HydrophobicContact CB-CG 4.36Å; L233-E272 HydrophobicContact CD1-CG 4.19Å; Q234-E272 VanDerWaalsContact CG-OE1 3.28Å; Q234-E272 WeakPolarHBondContact CG-OE1 3.1Å; Q234-E272 PolarHBondContact NE2-OE1 3.47Å; N270-E272 VanDerWaalsContact C-N 3.29Å; N270-E272 VanDerWaalsContact CG-OE2 3.28Å; N270-E272 PolarHBondContact ND2-OE2 3.17Å; N270-E272 PolarHBondContact O-N 3.4Å; N270-E272 WeakPolarHBondContact OD1-CB 3.43Å; N270-E272 PolarHBondContact OD1-N 3.39Å; N270-E272 PolarHBondContact OD1-OE2 2.99Å; E272-W275 PolarHBondContact O-N 3.34Å; E272-R276 WeakPolarHBondContact O-CG 3.4Å; E272-R276 PolarHBondContact O-N 2.99Å; E272-R276 VanDerWaalsContact O-N 3.09Å |
| 273 | R | 97.1 | Very high | 94.6 | Very high | 135 Ų | 135 | 69.4 Ų | 69.4 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 173.6 | -70.3 | 179.7 | -175.4 | -171 | 0.2 | 111.4 | E268 N270 W275 R276 H277 | E268-R273 VanDerWaalsContact CD-CD 3.46Å; E268-R273 HydrophobicContact CG-CB 3.7Å; E268-R273 WeakPolarHBondContact OE2-CD 3.45Å; E268-R273 IonicContact OE2-NE 3.97Å; E268-R273 IonicContact OE2-NH1 3.31Å; E268-R273 PolarHBondContact OE2-NH1 2.92Å; N270-R273 HydrophobicContact CB-CB 4.21Å; N270-R273 HydrophobicContact CB-CG 4.23Å; N270-R273 PolarHBondContact O-N 3.47Å; N270-R273 WeakPolarHBondContact OD1-CG 3.35Å; N270-R273 PolarHBondContact OD1-N 3.26Å; R273-W275 VanDerWaalsContact C-N 3.28Å; R273-W275 PolarHBondContact O-N 3.11Å; R273-R276 WeakPolarHBondContact O-CB 3.33Å; R273-R276 PolarHBondContact O-N 3.32Å; R273-R276 VanDerWaalsContact O-N 3.14Å; R273-H277 PolarHBondContact O-CD2 3.48Å; R273-H277 PolarHBondContact O-N 2.84Å; R273-H277 VanDerWaalsContact O-N 3.15Å |
| 274 | R | 97.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 69.1 Ų | 69.1 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.7 | -44.1 | 172.3 | -71 | -180 | 173.2 | -159.2 | -15.2 | 111.6 | L239 E245 F265 E268 N270 P271 H277 I278 | L239-R274 HydrophobicContact CB-CB 4.37Å; L239-R274 HydrophobicContact CD1-CB 3.93Å; L239-R274 WeakPolarHBondContact O-CD 3.46Å; L239-R274 PolarHBondContact O-NH1 3.08Å; E245-R274 IonicContact OE2-CZ 3.48Å; E245-R274 IonicContact OE2-NH1 2.7Å; E245-R274 PolarHBondContact OE2-NH1 2.94Å; E245-R274 IonicContact OE2-NH2 3.62Å; F265-R274 HydrophobicContact CD1-CB 3.97Å; F265-R274 HydrophobicContact CD1-CG 3.6Å; F265-R274 HydrophobicContact CE1-CB 3.47Å; F265-R274 VanDerWaalsContact CE1-CB 3.47Å; F265-R274 HydrophobicContact CE1-CG 3.68Å; F265-R274 HydrophobicContact CE2-CB 4.44Å; F265-R274 HydrophobicContact CG-CG 4.14Å; F265-R274 HydrophobicContact CZ-CB 3.73Å; F265-R274 HydrophobicContact CZ-CG 4.23Å; F265-R274 PolarHBondContact O-NH2 3.14Å; E268-R274 HydrophobicContact CB-CG 4.49Å; E268-R274 HydrophobicContact CG-CG 4.06Å; E268-R274 VanDerWaalsContact O-CZ 3.24Å; E268-R274 PolarHBondContact O-NE 3.45Å; E268-R274 PolarHBondContact O-NH2 2.77Å; N270-R274 WeakPolarHBondContact O-CG 3.46Å; N270-R274 PolarHBondContact O-N 3.17Å; P271-R274 PolarHBondContact O-N 2.98Å; R274-H277 WeakPolarHBondContact O-CB 3.14Å; R274-H277 PolarHBondContact O-N 3.43Å; R274-I278 PolarHBondContact O-N 2.96Å |
| 275 | W | 97.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 68.7 Ų | 68.7 | 5% | 0.045 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 175.4 | -176.1 | -105.5 | 0 | 0 | 0 | 112.7 | F228 L233 L239 P271 E272 R273 H277 I278 E279 E296 I299 M300 | F228-W275 HydrophobicContact CD1-CZ2 4.32Å; F228-W275 AromaticContact CE1-CD2 3.63Å; F228-W275 HydrophobicContact CE1-CD2 3.63Å; F228-W275 AromaticContact CE1-CE2 3.46Å; F228-W275 VanDerWaalsContact CE1-CE2 3.46Å; F228-W275 AromaticContact CE1-CE3 3.88Å; F228-W275 HydrophobicContact CE1-CE3 3.88Å; F228-W275 HydrophobicContact CE1-CG 4.28Å; F228-W275 AromaticContact CE1-CH2 3.85Å; F228-W275 HydrophobicContact CE1-CH2 3.85Å; F228-W275 AromaticContact CE1-CZ2 3.59Å; F228-W275 HydrophobicContact CE1-CZ2 3.59Å; F228-W275 AromaticContact CE1-CZ3 3.99Å; F228-W275 HydrophobicContact CE1-CZ3 3.99Å; F228-W275 HydrophobicContact CZ-CD2 4.3Å; F228-W275 HydrophobicContact CZ-CE3 4.1Å; F228-W275 AromaticContact CZ-CH2 3.71Å; F228-W275 HydrophobicContact CZ-CH2 3.71Å; F228-W275 AromaticContact CZ-CZ2 3.91Å; F228-W275 HydrophobicContact CZ-CZ2 3.91Å; F228-W275 AromaticContact CZ-CZ3 3.81Å; F228-W275 HydrophobicContact CZ-CZ3 3.81Å; L233-W275 HydrophobicContact CD1-CB 3.75Å; L233-W275 HydrophobicContact CD1-CG 3.85Å; L233-W275 HydrophobicContact CD2-CB 3.96Å; L233-W275 HydrophobicContact CD2-CD2 4.39Å; L233-W275 HydrophobicContact CD2-CE3 4.47Å; L233-W275 HydrophobicContact CD2-CG 4.16Å; L239-W275 HydrophobicContact CD1-CB 4.01Å; L239-W275 HydrophobicContact CD1-CE3 4.12Å; P271-W275 PolarHBondContact O-N 3.46Å; E272-W275 PolarHBondContact O-N 3.34Å; R273-W275 VanDerWaalsContact C-N 3.28Å; R273-W275 PolarHBondContact O-N 3.11Å; W275-H277 PolarHBondContact O-N 3.04Å; W275-I278 HydrophobicContact CE3-CB 4.36Å; W275-I278 HydrophobicContact CE3-CD1 3.89Å; W275-I278 HydrophobicContact CE3-CG2 4.35Å; W275-I278 HydrophobicContact CH2-CG2 4.47Å; W275-I278 HydrophobicContact CZ3-CD1 4.13Å; W275-I278 HydrophobicContact CZ3-CG2 4.07Å; W275-I278 WeakPolarHBondContact O-CA 3.23Å; W275-I278 WeakPolarHBondContact O-CB 3.41Å; W275-I278 PolarHBondContact O-N 2.88Å; W275-E279 VanDerWaalsContact NE1-CD 3.35Å; W275-E279 PolarHBondContact NE1-OE1 3.37Å; W275-E279 PolarHBondContact O-N 3.08Å; W275-E296 HydrophobicContact CH2-CB 4.43Å; W275-E296 HydrophobicContact CZ2-CB 4.4Å; W275-I299 HydrophobicContact CH2-CB 4.09Å; W275-I299 HydrophobicContact CH2-CG2 3.88Å; W275-I299 HydrophobicContact CZ3-CB 4.32Å; W275-I299 HydrophobicContact CZ3-CD1 4.45Å; W275-I299 HydrophobicContact CZ3-CG2 3.74Å; W275-M300 HydrophobicContact CH2-CG 3.8Å; W275-M300 HydrophobicContact CZ2-CG 3.56Å; W275-M300 HydrophobicContact CZ2-SD 3.84Å |
| 276 | R | 97.4 | Very high | 93.1 | Very high | 146 Ų | 146 | 71.8 Ų | 71.8 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.9 | -33.9 | 175.4 | -69.5 | 179.2 | -166.2 | 117.9 | 3 | 112.9 | E272 R273 E279 A280 | E272-R276 WeakPolarHBondContact O-CG 3.4Å; E272-R276 PolarHBondContact O-N 2.99Å; E272-R276 VanDerWaalsContact O-N 3.09Å; R273-R276 WeakPolarHBondContact O-CB 3.33Å; R273-R276 PolarHBondContact O-N 3.32Å; R273-R276 VanDerWaalsContact O-N 3.14Å; R276-E279 PolarHBondContact O-N 3.48Å; R276-A280 WeakPolarHBondContact O-CB 3.36Å; R276-A280 PolarHBondContact O-N 3.05Å |
| 277 | H | 96.3 | Very high | 92.3 | Very high | 71 Ų | 71 | 71 Ų | 71 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 174 | -72.7 | -71.9 | 0 | 0 | 0 | 112.3 | L261 I264 R273 R274 W275 A280 Q281 | L261-H277 HydrophobicContact CD2-CB 4.14Å; I264-H277 HydrophobicContact CG2-CB 4.31Å; R273-H277 PolarHBondContact O-CD2 3.48Å; R273-H277 PolarHBondContact O-N 2.84Å; R273-H277 VanDerWaalsContact O-N 3.15Å; R274-H277 WeakPolarHBondContact O-CB 3.14Å; R274-H277 PolarHBondContact O-N 3.43Å; W275-H277 PolarHBondContact O-N 3.04Å; H277-A280 PolarHBondContact O-N 3.41Å; H277-Q281 WeakPolarHBondContact O-CG 3.49Å; H277-Q281 PolarHBondContact O-N 3.09Å |
| 278 | I | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 172.5 | -64.8 | 176.1 | 0 | 0 | 0 | 110 | L239 V248 L261 F265 R274 W275 A280 Q281 A282 F295 E296 I299 | L239-I278 HydrophobicContact CD1-CD1 3.98Å; L239-I278 HydrophobicContact CD2-CD1 4.2Å; V248-I278 HydrophobicContact CG1-CD1 4.02Å; L261-I278 HydrophobicContact CD1-CG1 4.15Å; L261-I278 HydrophobicContact CD2-CG1 4.04Å; F265-I278 HydrophobicContact CZ-CD1 4.01Å; F265-I278 HydrophobicContact CZ-CG1 3.99Å; R274-I278 PolarHBondContact O-N 2.96Å; W275-I278 HydrophobicContact CE3-CB 4.36Å; W275-I278 HydrophobicContact CE3-CD1 3.89Å; W275-I278 HydrophobicContact CE3-CG2 4.35Å; W275-I278 HydrophobicContact CH2-CG2 4.47Å; W275-I278 HydrophobicContact CZ3-CD1 4.13Å; W275-I278 HydrophobicContact CZ3-CG2 4.07Å; W275-I278 WeakPolarHBondContact O-CA 3.23Å; W275-I278 WeakPolarHBondContact O-CB 3.41Å; W275-I278 PolarHBondContact O-N 2.88Å; I278-A280 PolarHBondContact O-N 3.2Å; I278-Q281 PolarHBondContact O-N 3.13Å; I278-A282 PolarHBondContact O-N 3.22Å; I278-F295 HydrophobicContact CG2-CD2 4.24Å; I278-F295 HydrophobicContact CG2-CE2 3.72Å; I278-E296 HydrophobicContact CG2-CB 4.44Å; I278-I299 HydrophobicContact CG2-CD1 4.21Å |
| 279 | E | 95.4 | Very high | 90.1 | Very high | 64 Ų | 64 | 67.2 Ų | 67.2 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 177.7 | -66.9 | 178.6 | 150 | 0 | 0 | 112.6 | W275 R276 Q281 A282 K283 | W275-E279 VanDerWaalsContact NE1-CD 3.35Å; W275-E279 PolarHBondContact NE1-OE1 3.37Å; W275-E279 PolarHBondContact O-N 3.08Å; R276-E279 PolarHBondContact O-N 3.48Å; E279-Q281 VanDerWaalsContact C-N 3.35Å; E279-Q281 PolarHBondContact O-N 3.28Å; E279-A282 PolarHBondContact O-N 2.73Å; E279-K283 WeakPolarHBondContact O-CG 3.49Å; E279-K283 PolarHBondContact O-N 2.77Å |
| 280 | A | 93.9 | Very high | 88.8 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 45% | 0.446 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R276 H277 I278 K283 K284 | R276-A280 WeakPolarHBondContact O-CB 3.36Å; R276-A280 PolarHBondContact O-N 3.05Å; H277-A280 PolarHBondContact O-N 3.41Å; I278-A280 PolarHBondContact O-N 3.2Å; A280-K283 PolarHBondContact O-N 2.98Å; A280-K284 PolarHBondContact O-N 3.25Å |
| 281 | Q | 91.7 | Very high | 87.6 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 175.5 | -70.8 | -67.4 | -1.2 | 0 | 0 | 111.9 | V257 E260 L261 H277 I278 E279 K284 K285 F295 | V257-Q281 HydrophobicContact CG1-CB 4.06Å; V257-Q281 HydrophobicContact CG1-CG 4.35Å; E260-Q281 PolarHBondContact OE2-NE2 3.07Å; L261-Q281 HydrophobicContact CD2-CG 4.1Å; L261-Q281 HydrophobicContact CG-CG 4.44Å; H277-Q281 WeakPolarHBondContact O-CG 3.49Å; H277-Q281 PolarHBondContact O-N 3.09Å; I278-Q281 PolarHBondContact O-N 3.13Å; E279-Q281 VanDerWaalsContact C-N 3.35Å; E279-Q281 PolarHBondContact O-N 3.28Å; Q281-K284 PolarHBondContact O-N 2.97Å; Q281-K285 PolarHBondContact O-N 3.19Å; Q281-F295 HydrophobicContact CB-CZ 4.06Å |
| 282 | A | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I278 E279 K284 K285 Q286 F295 E296 | I278-A282 PolarHBondContact O-N 3.22Å; E279-A282 PolarHBondContact O-N 2.73Å; A282-K284 PolarHBondContact O-N 2.9Å; A282-K285 WeakPolarHBondContact O-CB 3.2Å; A282-K285 PolarHBondContact O-N 3.05Å; A282-K285 VanDerWaalsContact O-N 3.15Å; A282-Q286 PolarHBondContact O-N 3.3Å; A282-F295 VanDerWaalsContact CA-CZ 3.44Å; A282-F295 HydrophobicContact CB-CD1 4.21Å; A282-F295 HydrophobicContact CB-CE1 3.68Å; A282-F295 HydrophobicContact CB-CE2 3.98Å; A282-F295 HydrophobicContact CB-CZ 3.55Å; A282-F295 VanDerWaalsContact N-CZ 3.3Å; A282-E296 HydrophobicContact CB-CB 3.95Å; A282-E296 HydrophobicContact CB-CG 3.98Å; A282-E296 VanDerWaalsContact CB-OE2 3.25Å; A282-E296 WeakPolarHBondContact CB-OE2 3.19Å |
| 283 | K | 89.4 | Confident | 85.7 | Confident | 133 Ų | 133 | 74.3 Ų | 74.3 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 175.2 | -73.2 | 174.2 | -177.7 | 173.7 | 0 | 112.2 | E279 A280 K285 Q286 T287 | E279-K283 WeakPolarHBondContact O-CG 3.49Å; E279-K283 PolarHBondContact O-N 2.77Å; A280-K283 PolarHBondContact O-N 2.98Å; K283-K285 VanDerWaalsContact C-N 3.27Å; K283-K285 PolarHBondContact O-N 3.16Å; K283-Q286 PolarHBondContact O-N 3.32Å; K283-T287 PolarHBondContact O-N 2.94Å |
| 284 | K | 86.9 | Confident | 85.5 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 175.3 | -173.1 | -178 | 176.9 | -171.6 | 0 | 111.1 | A280 Q281 A282 T287 T288 | A280-K284 PolarHBondContact O-N 3.25Å; Q281-K284 PolarHBondContact O-N 2.97Å; A282-K284 PolarHBondContact O-N 2.9Å; K284-T287 PolarHBondContact O-N 3.47Å; K284-T287 PolarHBondContact O-OG1 3.33Å; K284-T288 PolarHBondContact O-N 2.6Å; K284-T288 PolarHBondContact O-OG1 3.34Å |
| 285 | K | 82.7 | Confident | 85.3 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 176.2 | -78.3 | -71.2 | -177.1 | 176.2 | 0 | 113.4 | E254 Q281 A282 K283 T287 T288 A289 F295 | E254-K285 IonicContact OE1-NZ 2.82Å; E254-K285 PolarHBondContact OE1-NZ 2.75Å; E254-K285 WeakPolarHBondContact OE2-CE 3.38Å; E254-K285 IonicContact OE2-NZ 3.78Å; E254-K285 PolarHBondContact OE2-NZ 3.47Å; Q281-K285 PolarHBondContact O-N 3.19Å; A282-K285 WeakPolarHBondContact O-CB 3.2Å; A282-K285 PolarHBondContact O-N 3.05Å; A282-K285 VanDerWaalsContact O-N 3.15Å; K283-K285 VanDerWaalsContact C-N 3.27Å; K283-K285 PolarHBondContact O-N 3.16Å; K285-T287 PolarHBondContact O-N 3.4Å; K285-T287 VanDerWaalsContact O-N 3.15Å; K285-T288 WeakPolarHBondContact CA-OG1 3.49Å; K285-T288 PolarHBondContact O-N 2.82Å; K285-T288 PolarHBondContact O-OG1 3.03Å; K285-A289 PolarHBondContact O-N 2.89Å; K285-A289 VanDerWaalsContact O-O 3.05Å; K285-F295 HydrophobicContact CG-CE1 4.46Å |
| 286 | Q | 81.4 | Confident | 85.2 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.1 | -34.7 | 173.7 | -73.5 | 167.5 | 18.5 | 0 | 0 | 112.6 | A282 K283 Q293 E296 | A282-Q286 PolarHBondContact O-N 3.3Å; K283-Q286 PolarHBondContact O-N 3.32Å; Q286-Q293 HydrophobicContact CB-CB 4.34Å; Q286-Q293 HydrophobicContact CG-CB 3.6Å; Q286-Q293 HydrophobicContact CG-CG 4.09Å; Q286-Q293 WeakPolarHBondContact CG-O 3.46Å; Q286-Q293 PolarHBondContact NE2-O 3.44Å; Q286-E296 PolarHBondContact NE2-OE1 3.47Å |
| 287 | T | 76.5 | Confident | 85.2 | Confident | 118 Ų | 118 | 64.7 Ų | 64.7 | 72% | 0.724 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -80.3 | -21.2 | 178 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | K283 K284 K285 | K283-T287 PolarHBondContact O-N 2.94Å; K284-T287 PolarHBondContact O-N 3.47Å; K284-T287 PolarHBondContact O-OG1 3.33Å; K285-T287 PolarHBondContact O-N 3.4Å; K285-T287 VanDerWaalsContact O-N 3.15Å |
| 288 | T | 72.9 | Confident | 85.3 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 61% | 0.607 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -112.8 | -24.5 | -168.3 | 49.8 | 0 | 0 | 0 | 0 | 114.1 | K284 K285 | K284-T288 PolarHBondContact O-N 2.6Å; K284-T288 PolarHBondContact O-OG1 3.34Å; K285-T288 WeakPolarHBondContact CA-OG1 3.49Å; K285-T288 PolarHBondContact O-N 2.82Å; K285-T288 PolarHBondContact O-OG1 3.03Å |
| 289 | A | 67.5 | Low | 85.4 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 30% | 0.298 | 30% | 0.303 | S | S | . | . | trans | -151.3 | 138.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K285 K291 | K285-A289 PolarHBondContact O-N 2.89Å; K285-A289 VanDerWaalsContact O-O 3.05Å; A289-K291 VanDerWaalsContact C-N 3.33Å; A289-K291 PolarHBondContact O-N 3.32Å | ||
| 290 | K | 66.7 | Low | 85.5 | Confident | 192 Ų | 192 | 59 Ų | 59 | 84% | 0.835 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -73.8 | -22 | 175.9 | -68.9 | -171.7 | 176.5 | -174.2 | 0 | 113.7 | ||
| 291 | K | 68.8 | Low | 85.8 | Confident | 144 Ų | 144 | 56.4 Ų | 56.4 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 135.2 | -177 | -156.1 | -176.5 | 179 | -177.8 | 0 | 109.8 | A289 Q293 | A289-K291 VanDerWaalsContact C-N 3.33Å; A289-K291 PolarHBondContact O-N 3.32Å; K291-Q293 VanDerWaalsContact C-N 3.28Å; K291-Q293 PolarHBondContact O-N 3.15Å |
| 292 | W | 72.6 | Confident | 86.1 | Confident | 84 Ų | 84 | 55.8 Ų | 55.8 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 27.2 | 175.1 | -41.5 | 113.4 | 0 | 0 | 0 | 116 | V208 P253 Y294 F295 | V208-W292 HydrophobicContact CG1-CZ3 4.43Å; P253-W292 HydrophobicContact CB-CB 3.53Å; P253-W292 HydrophobicContact CB-CD2 3.61Å; P253-W292 HydrophobicContact CB-CE3 4.08Å; P253-W292 HydrophobicContact CB-CG 3.38Å; P253-W292 HydrophobicContact CG-CB 3.47Å; P253-W292 VanDerWaalsContact CG-CB 3.47Å; P253-W292 HydrophobicContact CG-CG 3.91Å; W292-Y294 PolarHBondContact O-N 2.98Å; W292-F295 WeakPolarHBondContact O-CD1 3.49Å |
| 293 | Q | 80.6 | Confident | 86.4 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -7 | -173.9 | 72.5 | 179.6 | -14.8 | 0 | 0 | 114.5 | D211 Q286 K291 | D211-Q293 PolarHBondContact OD1-NE2 3.46Å; Q286-Q293 HydrophobicContact CB-CB 4.34Å; Q286-Q293 HydrophobicContact CG-CB 3.6Å; Q286-Q293 HydrophobicContact CG-CG 4.09Å; Q286-Q293 WeakPolarHBondContact CG-O 3.46Å; Q286-Q293 PolarHBondContact NE2-O 3.44Å; K291-Q293 VanDerWaalsContact C-N 3.28Å; K291-Q293 PolarHBondContact O-N 3.15Å |
| 294 | Y | 91.9 | Very high | 86.9 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 25.9 | -173.7 | -57.4 | -52.9 | 0 | 0 | 0 | 113.4 | L209 D211 I213 W292 E296 K297 E298 | L209-Y294 HydrophobicContact CB-CD2 4.25Å; D211-Y294 HydrophobicContact CB-CE2 4.15Å; D211-Y294 PolarHBondContact OD1-OH 3.02Å; I213-Y294 HydrophobicContact CD1-CD1 3.9Å; I213-Y294 HydrophobicContact CD1-CD2 3.94Å; I213-Y294 HydrophobicContact CD1-CE1 3.87Å; I213-Y294 HydrophobicContact CD1-CE2 3.91Å; I213-Y294 HydrophobicContact CD1-CG 3.93Å; I213-Y294 HydrophobicContact CG1-CD2 3.98Å; I213-Y294 HydrophobicContact CG1-CE1 4.48Å; I213-Y294 HydrophobicContact CG1-CE2 3.69Å; I213-Y294 HydrophobicContact CG1-CG 4.48Å; W292-Y294 PolarHBondContact O-N 2.98Å; Y294-E296 WeakPolarHBondContact CA-OE2 3.45Å; Y294-E296 PolarHBondContact O-N 3.43Å; Y294-K297 HydrophobicContact CD1-CD 4.02Å; Y294-K297 HydrophobicContact CG-CD 4.43Å; Y294-K297 WeakPolarHBondContact O-CB 3.45Å; Y294-K297 PolarHBondContact O-N 3.14Å; Y294-E298 WeakPolarHBondContact O-CG 3.36Å; Y294-E298 PolarHBondContact O-N 3.28Å |
| 295 | F | 93.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -28.6 | -174.5 | 66.7 | -100.4 | 0 | 0 | 0 | 113.5 | V252 P253 V257 I278 Q281 A282 K285 W292 E298 I299 | V252-F295 HydrophobicContact CG2-CD2 4.48Å; P253-F295 HydrophobicContact CG-CB 4.5Å; P253-F295 HydrophobicContact CG-CD1 4.18Å; V257-F295 HydrophobicContact CG1-CZ 4.41Å; I278-F295 HydrophobicContact CG2-CD2 4.24Å; I278-F295 HydrophobicContact CG2-CE2 3.72Å; Q281-F295 HydrophobicContact CB-CZ 4.06Å; A282-F295 VanDerWaalsContact CA-CZ 3.44Å; A282-F295 HydrophobicContact CB-CD1 4.21Å; A282-F295 HydrophobicContact CB-CE1 3.68Å; A282-F295 HydrophobicContact CB-CE2 3.98Å; A282-F295 HydrophobicContact CB-CZ 3.55Å; A282-F295 VanDerWaalsContact N-CZ 3.3Å; K285-F295 HydrophobicContact CG-CE1 4.46Å; W292-F295 WeakPolarHBondContact O-CD1 3.49Å; F295-E298 WeakPolarHBondContact CA-OE2 3.45Å; F295-E298 PolarHBondContact O-N 2.9Å; F295-I299 HydrophobicContact CD2-CD1 4.24Å; F295-I299 WeakPolarHBondContact O-CD1 3.28Å; F295-I299 WeakPolarHBondContact O-CG1 3.46Å; F295-I299 PolarHBondContact O-N 3.15Å |
| 296 | E | 96.4 | Very high | 88.1 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 172.1 | 80.9 | -66 | -175.2 | 0 | 0 | 111 | W275 I278 A282 Q286 Y294 I299 M300 | W275-E296 HydrophobicContact CH2-CB 4.43Å; W275-E296 HydrophobicContact CZ2-CB 4.4Å; I278-E296 HydrophobicContact CG2-CB 4.44Å; A282-E296 HydrophobicContact CB-CB 3.95Å; A282-E296 HydrophobicContact CB-CG 3.98Å; A282-E296 VanDerWaalsContact CB-OE2 3.25Å; A282-E296 WeakPolarHBondContact CB-OE2 3.19Å; Q286-E296 PolarHBondContact NE2-OE1 3.47Å; Y294-E296 WeakPolarHBondContact CA-OE2 3.45Å; Y294-E296 PolarHBondContact O-N 3.43Å; E296-I299 PolarHBondContact O-N 3.09Å; E296-M300 VanDerWaalsContact O-CG 3.27Å; E296-M300 WeakPolarHBondContact O-CG 3.32Å; E296-M300 PolarHBondContact O-N 2.69Å |
| 297 | K | 97.6 | Very high | 88.9 | Confident | 45 Ų | 45 | 40.3 Ų | 40.3 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.9 | -38.6 | 177.3 | -68.3 | 168.3 | -176.6 | 173.7 | 0 | 111.6 | L209 I213 L221 Y294 M300 L301 | L209-K297 HydrophobicContact CD1-CB 3.81Å; I213-K297 HydrophobicContact CD1-CD 3.86Å; L221-K297 HydrophobicContact CD1-CB 3.98Å; L221-K297 HydrophobicContact CD1-CD 3.83Å; L221-K297 HydrophobicContact CD1-CG 3.94Å; L221-K297 HydrophobicContact CD2-CB 3.85Å; L221-K297 HydrophobicContact CD2-CG 4.1Å; Y294-K297 HydrophobicContact CD1-CD 4.02Å; Y294-K297 HydrophobicContact CG-CD 4.43Å; Y294-K297 WeakPolarHBondContact O-CB 3.45Å; Y294-K297 PolarHBondContact O-N 3.14Å; K297-M300 PolarHBondContact O-N 2.88Å; K297-L301 WeakPolarHBondContact O-CB 3.49Å; K297-L301 VanDerWaalsContact O-CG 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.4Å; K297-L301 PolarHBondContact O-N 3.25Å |
| 298 | E | 97.5 | Very high | 89.7 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.023 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 174.5 | -69.6 | 168.1 | 166.6 | 0 | 0 | 111.6 | K205 V207 V208 L209 Y294 F295 L301 Q302 | K205-E298 WeakPolarHBondContact CE-OE2 3.37Å; K205-E298 IonicContact NZ-OE2 2.77Å; K205-E298 PolarHBondContact NZ-OE2 3.41Å; V207-E298 HydrophobicContact CB-CB 4.27Å; V207-E298 HydrophobicContact CG1-CB 4.28Å; V207-E298 HydrophobicContact CG1-CG 4.15Å; V208-E298 WeakPolarHBondContact CA-OE1 3.43Å; L209-E298 HydrophobicContact CB-CG 4.24Å; L209-E298 HydrophobicContact CD1-CG 4.12Å; L209-E298 HydrophobicContact CG-CG 3.76Å; L209-E298 PolarHBondContact N-OE1 2.68Å; Y294-E298 WeakPolarHBondContact O-CG 3.36Å; Y294-E298 PolarHBondContact O-N 3.28Å; F295-E298 WeakPolarHBondContact CA-OE2 3.45Å; F295-E298 PolarHBondContact O-N 2.9Å; E298-L301 PolarHBondContact O-N 3.22Å; E298-Q302 WeakPolarHBondContact O-CB 3.31Å; E298-Q302 PolarHBondContact O-N 3.2Å |
| 299 | I | 98 | Very high | 90.5 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 174.1 | -68.6 | 160 | 0 | 0 | 0 | 110 | V248 L251 W275 I278 F295 E296 L301 Q302 Y303 | V248-I299 HydrophobicContact CG1-CD1 4.09Å; V248-I299 HydrophobicContact CG1-CG2 4.17Å; L251-I299 HydrophobicContact CB-CD1 4.45Å; L251-I299 HydrophobicContact CB-CG1 3.82Å; L251-I299 HydrophobicContact CD1-CG1 3.92Å; W275-I299 HydrophobicContact CH2-CB 4.09Å; W275-I299 HydrophobicContact CH2-CG2 3.88Å; W275-I299 HydrophobicContact CZ3-CB 4.32Å; W275-I299 HydrophobicContact CZ3-CD1 4.45Å; W275-I299 HydrophobicContact CZ3-CG2 3.74Å; I278-I299 HydrophobicContact CG2-CD1 4.21Å; F295-I299 HydrophobicContact CD2-CD1 4.24Å; F295-I299 WeakPolarHBondContact O-CD1 3.28Å; F295-I299 WeakPolarHBondContact O-CG1 3.46Å; F295-I299 PolarHBondContact O-N 3.15Å; E296-I299 PolarHBondContact O-N 3.09Å; I299-L301 VanDerWaalsContact C-N 3.34Å; I299-L301 PolarHBondContact O-N 3.31Å; I299-Q302 PolarHBondContact O-N 3.5Å; I299-Y303 HydrophobicContact CG2-CD2 3.97Å; I299-Y303 HydrophobicContact CG2-CE2 4.17Å; I299-Y303 WeakPolarHBondContact O-CD2 3.39Å; I299-Y303 PolarHBondContact O-N 3.38Å; I299-Y303 VanDerWaalsContact O-N 3.09Å |
| 300 | M | 98.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 4% | 0.044 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.5 | -47.8 | 179.3 | -69.4 | 177.2 | 73.8 | 0 | 0 | 112.1 | V224 E225 F228 W275 E296 K297 Y303 C304 | V224-M300 HydrophobicContact CG1-CB 3.81Å; V224-M300 HydrophobicContact CG1-CE 3.97Å; E225-M300 VanDerWaalsContact CA-CE 3.49Å; E225-M300 HydrophobicContact CB-CE 3.99Å; E225-M300 HydrophobicContact CG-CE 3.34Å; E225-M300 HydrophobicContact CG-SD 4.29Å; F228-M300 HydrophobicContact CB-CE 3.76Å; F228-M300 HydrophobicContact CD1-CE 4.29Å; F228-M300 HydrophobicContact CD1-CG 4.3Å; F228-M300 HydrophobicContact CD2-CB 4.1Å; F228-M300 HydrophobicContact CD2-CE 4.26Å; F228-M300 HydrophobicContact CD2-CG 3.8Å; F228-M300 HydrophobicContact CE1-CG 4.23Å; F228-M300 HydrophobicContact CE2-CB 4.13Å; F228-M300 HydrophobicContact CE2-CG 3.75Å; F228-M300 HydrophobicContact CG-CE 3.86Å; F228-M300 HydrophobicContact CG-CG 4.09Å; F228-M300 HydrophobicContact CZ-CG 3.96Å; W275-M300 HydrophobicContact CH2-CG 3.8Å; W275-M300 HydrophobicContact CZ2-CG 3.56Å; W275-M300 HydrophobicContact CZ2-SD 3.84Å; E296-M300 VanDerWaalsContact O-CG 3.27Å; E296-M300 WeakPolarHBondContact O-CG 3.32Å; E296-M300 PolarHBondContact O-N 2.69Å; K297-M300 PolarHBondContact O-N 2.88Å; M300-Y303 PolarHBondContact O-N 3.28Å; M300-C304 WeakPolarHBondContact O-CB 3.43Å; M300-C304 PolarHBondContact O-N 2.95Å; M300-C304 VanDerWaalsContact O-N 3.09Å |
| 301 | L | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.9 | -69.3 | 168.3 | 0 | 0 | 0 | 111.4 | L196 V207 L209 I217 L221 V224 K297 E298 I299 Y303 C304 Y305 | L196-L301 HydrophobicContact CD1-CD1 4.29Å; L196-L301 HydrophobicContact CD1-CD2 4.13Å; V207-L301 HydrophobicContact CG1-CB 4.07Å; V207-L301 HydrophobicContact CG1-CD1 3.96Å; V207-L301 HydrophobicContact CG2-CB 4.16Å; L209-L301 HydrophobicContact CD1-CD1 4.05Å; L209-L301 HydrophobicContact CD2-CD1 3.92Å; L209-L301 HydrophobicContact CG-CD1 4.37Å; I217-L301 HydrophobicContact CG2-CD1 3.88Å; L221-L301 HydrophobicContact CD2-CD1 4.09Å; L221-L301 HydrophobicContact CD2-CD2 3.96Å; L221-L301 HydrophobicContact CD2-CG 3.73Å; L221-L301 HydrophobicContact CG-CD1 4.32Å; L221-L301 HydrophobicContact CG-CD2 4.17Å; L221-L301 HydrophobicContact CG-CG 4.29Å; V224-L301 HydrophobicContact CG2-CD2 4.44Å; K297-L301 WeakPolarHBondContact O-CB 3.49Å; K297-L301 VanDerWaalsContact O-CG 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.4Å; K297-L301 PolarHBondContact O-N 3.25Å; E298-L301 PolarHBondContact O-N 3.22Å; I299-L301 VanDerWaalsContact C-N 3.34Å; I299-L301 PolarHBondContact O-N 3.31Å; L301-Y303 PolarHBondContact O-N 3.46Å; L301-C304 PolarHBondContact O-N 3.14Å; L301-Y305 HydrophobicContact CD2-CD2 3.6Å; L301-Y305 HydrophobicContact CD2-CE2 4.48Å; L301-Y305 HydrophobicContact CD2-CG 4.15Å; L301-Y305 WeakPolarHBondContact O-CA 3.37Å; L301-Y305 WeakPolarHBondContact O-CB 3.38Å; L301-Y305 PolarHBondContact O-N 3.11Å |
| 302 | Q | 98.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 5% | 0.051 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.4 | -36.3 | -178.6 | -176.4 | 161.4 | -34.4 | 0 | 0 | 113 | V204 K206 V207 L251 E298 I299 R307 | V204-Q302 PolarHBondContact O-NE2 2.89Å; K206-Q302 HydrophobicContact CB-CG 4.46Å; V207-Q302 HydrophobicContact CG2-CB 3.94Å; L251-Q302 HydrophobicContact CD1-CG 4.48Å; E298-Q302 WeakPolarHBondContact O-CB 3.31Å; E298-Q302 PolarHBondContact O-N 3.2Å; I299-Q302 PolarHBondContact O-N 3.5Å; Q302-R307 PolarHBondContact O-NH2 3.08Å |
| 303 | Y | 98.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 19.7 Ų | 19.7 | 4% | 0.035 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -83.9 | -24.3 | -178.9 | -84.3 | -96.8 | 0 | 0 | 0 | 114.6 | V122 L138 I238 V248 L251 I299 M300 L301 | V122-Y303 HydrophobicContact CB-CD1 3.67Å; V122-Y303 HydrophobicContact CB-CE1 4.03Å; V122-Y303 HydrophobicContact CB-CG 4.17Å; V122-Y303 HydrophobicContact CG1-CD1 4Å; V122-Y303 HydrophobicContact CG1-CD2 4.43Å; V122-Y303 HydrophobicContact CG1-CE1 4.16Å; V122-Y303 HydrophobicContact CG1-CG 4.15Å; L138-Y303 WeakPolarHBondContact CD2-O 3.49Å; I238-Y303 HydrophobicContact CB-CE1 4.04Å; I238-Y303 HydrophobicContact CD1-CD1 4.21Å; I238-Y303 HydrophobicContact CD1-CE1 4.24Å; I238-Y303 HydrophobicContact CD1-CG 4.38Å; I238-Y303 HydrophobicContact CG2-CD1 3.75Å; I238-Y303 HydrophobicContact CG2-CE1 3.53Å; V248-Y303 HydrophobicContact CG2-CE2 4.15Å; V248-Y303 WeakPolarHBondContact CG2-OH 3.48Å; L251-Y303 HydrophobicContact CD1-CD2 4.49Å; L251-Y303 HydrophobicContact CD1-CE2 3.87Å; I299-Y303 HydrophobicContact CG2-CD2 3.97Å; I299-Y303 HydrophobicContact CG2-CE2 4.17Å; I299-Y303 WeakPolarHBondContact O-CD2 3.39Å; I299-Y303 PolarHBondContact O-N 3.38Å; I299-Y303 VanDerWaalsContact O-N 3.09Å; M300-Y303 PolarHBondContact O-N 3.28Å; L301-Y303 PolarHBondContact O-N 3.46Å |
| 304 | C | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -126.2 | -22.2 | -168.3 | -60.4 | 0 | 0 | 0 | 0 | 115 | I141 V224 M300 L301 | I141-C304 HydrophobicContact CD1-CB 4.06Å; I141-C304 VanDerWaalsContact CG2-O 3.28Å; I141-C304 WeakPolarHBondContact CG2-O 3.47Å; V224-C304 HydrophobicContact CB-CB 4.43Å; V224-C304 HydrophobicContact CG1-CB 3.62Å; V224-C304 HydrophobicContact CG2-CB 4.02Å; M300-C304 WeakPolarHBondContact O-CB 3.43Å; M300-C304 PolarHBondContact O-N 2.95Å; M300-C304 VanDerWaalsContact O-N 3.09Å; L301-C304 PolarHBondContact O-N 3.14Å |
| 305 | Y | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -71.5 | 147.2 | -171.7 | -171.8 | -89.9 | 0 | 0 | 0 | 111.9 | Y119 I145 L194 L196 I197 F216 L301 R307 | Y119-Y305 WeakPolarHBondContact CE1-O 3.49Å; Y119-Y305 PolarHBondContact OH-O 3.39Å; I145-Y305 HydrophobicContact CD1-CD2 3.94Å; I145-Y305 HydrophobicContact CD1-CE2 4.22Å; I145-Y305 HydrophobicContact CG2-CE2 3.78Å; L194-Y305 WeakPolarHBondContact O-CE1 3.48Å; L194-Y305 PolarHBondContact O-OH 2.93Å; L196-Y305 HydrophobicContact CB-CD1 3.88Å; L196-Y305 HydrophobicContact CB-CE1 3.72Å; L196-Y305 HydrophobicContact CB-CG 4.39Å; L196-Y305 HydrophobicContact CD1-CD1 4.34Å; L196-Y305 HydrophobicContact CD1-CD2 3.73Å; L196-Y305 HydrophobicContact CD1-CE1 4.04Å; L196-Y305 HydrophobicContact CD1-CE2 3.36Å; L196-Y305 HydrophobicContact CD1-CG 4.22Å; L196-Y305 HydrophobicContact CG-CD1 4.24Å; L196-Y305 HydrophobicContact CG-CD2 4.45Å; L196-Y305 HydrophobicContact CG-CE1 3.7Å; L196-Y305 HydrophobicContact CG-CE2 3.92Å; I197-Y305 HydrophobicContact CD1-CD1 4.36Å; I197-Y305 HydrophobicContact CG1-CD1 4.13Å; F216-Y305 WeakPolarHBondContact CE1-OH 3.45Å; F216-Y305 HydrophobicContact CZ-CE2 4.47Å; F216-Y305 WeakPolarHBondContact CZ-OH 3.41Å; L301-Y305 HydrophobicContact CD2-CD2 3.6Å; L301-Y305 HydrophobicContact CD2-CE2 4.48Å; L301-Y305 HydrophobicContact CD2-CG 4.15Å; L301-Y305 WeakPolarHBondContact O-CA 3.37Å; L301-Y305 WeakPolarHBondContact O-CB 3.38Å; L301-Y305 PolarHBondContact O-N 3.11Å; Y305-R307 PolarHBondContact O-N 2.99Å |
| 306 | P | 97.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.013 | 12% | 0.115 | C | C | . | . | trans | -51.1 | 130.3 | 175.6 | 13.9 | -28.3 | 0 | 0 | 0 | 113.6 | Y119 A142 I145 L146 L308 | Y119-P306 WeakPolarHBondContact OH-CA 3.17Å; A142-P306 HydrophobicContact CB-CB 3.91Å; I145-P306 HydrophobicContact CB-CG 4.22Å; I145-P306 HydrophobicContact CD1-CG 4.48Å; I145-P306 HydrophobicContact CG2-CG 3.9Å; L146-P306 HydrophobicContact CD1-CB 3.98Å; L146-P306 HydrophobicContact CD1-CG 4.39Å; L146-P306 HydrophobicContact CD2-CB 4.43Å; L146-P306 HydrophobicContact CD2-CG 4.15Å; L146-P306 HydrophobicContact CG-CB 4.22Å; L146-P306 HydrophobicContact CG-CG 4.07Å; P306-L308 HydrophobicContact CB-CD2 4.46Å | ||
| 307 | R | 96.5 | Very high | 95.3 | Very high | 20 Ų | 20 | 24.7 Ų | 24.7 | 8% | 0.075 | 13% | 0.131 | C | C | . | . | trans | -100.7 | 113.9 | 169 | -62.1 | 177.3 | -174.7 | -143.8 | 3.4 | 107.2 | D118 Y119 D121 I197 Q302 Y305 | D118-R307 HydrophobicContact CB-CB 3.82Å; D118-R307 WeakPolarHBondContact O-CD 3.45Å; D118-R307 VanDerWaalsContact O-CZ 3.24Å; D118-R307 PolarHBondContact O-NE 3.26Å; D118-R307 PolarHBondContact O-NH1 3.28Å; Y119-R307 HydrophobicContact CD1-CG 4.33Å; Y119-R307 HydrophobicContact CE1-CG 3.93Å; Y119-R307 HydrophobicContact CE2-CB 4.11Å; Y119-R307 HydrophobicContact CE2-CG 4.3Å; Y119-R307 PolarHBondContact OH-N 3.2Å; D121-R307 VanDerWaalsContact CG-NH1 3.29Å; D121-R307 IonicContact OD1-CZ 3.02Å; D121-R307 IonicContact OD1-NH1 3.15Å; D121-R307 PolarHBondContact OD1-NH1 3.43Å; D121-R307 IonicContact OD1-NH2 3.91Å; D121-R307 PolarHBondContact OD1-NH2 3.38Å; D121-R307 IonicContact OD2-CZ 3.45Å; D121-R307 IonicContact OD2-NH1 3.61Å; D121-R307 PolarHBondContact OD2-NH1 3.29Å; D121-R307 IonicContact OD2-NH2 3.64Å; D121-R307 PolarHBondContact OD2-NH2 2.81Å; I197-R307 HydrophobicContact CG1-CG 4.17Å; Q302-R307 PolarHBondContact O-NH2 3.08Å; Y305-R307 PolarHBondContact O-N 2.99Å | ||
| 308 | L | 93.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 25.4 Ų | 25.4 | 12% | 0.12 | 14% | 0.135 | C | C | . | . | trans | -97.1 | 128.4 | -175.2 | -62 | 179.4 | 0 | 0 | 0 | 109.6 | F112 I114 L146 L194 P306 V310 | F112-L308 HydrophobicContact CD1-CD1 4.4Å; F112-L308 HydrophobicContact CD1-CD2 4.2Å; I114-L308 HydrophobicContact CG1-CD2 4.31Å; L146-L308 HydrophobicContact CD1-CD2 3.72Å; L146-L308 HydrophobicContact CD2-CD1 4.35Å; L146-L308 HydrophobicContact CD2-CD2 4.16Å; L194-L308 HydrophobicContact CB-CD1 3.62Å; P306-L308 HydrophobicContact CB-CD2 4.46Å; L308-V310 HydrophobicContact CB-CG1 4.26Å; L308-V310 PolarHBondContact O-N 2.66Å | ||
| 309 | D | 90 | Very high | 95.2 | Very high | 64 Ų | 64 | 26.1 Ų | 26.1 | 34% | 0.342 | 14% | 0.139 | S | C | . | . | trans | -73 | 88.9 | 158.7 | -172.7 | -11.6 | 0 | 0 | 0 | 108.7 | D113 N311 V312 | D113-D309 PolarHBondContact O-N 3.38Å; D309-N311 PolarHBondContact O-N 3.47Å; D309-N311 VanDerWaalsContact O-N 3.11Å; D309-N311 WeakPolarHBondContact OD1-CB 3.27Å; D309-N311 PolarHBondContact OD1-N 2.64Å; D309-N311 VanDerWaalsContact OD1-N 3.08Å; D309-V312 HydrophobicContact CB-CB 4.48Å; D309-V312 HydrophobicContact CB-CG2 3.88Å; D309-V312 WeakPolarHBondContact O-CB 3.19Å; D309-V312 PolarHBondContact O-N 2.67Å; D309-V312 VanDerWaalsContact O-N 3.14Å; D309-V312 WeakPolarHBondContact OD2-CG2 3.43Å | ||
| 310 | V | 88.8 | Confident | 95.3 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.7 | -24.7 | -176.9 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | A191 S195 L308 V312 S313 K314 | A191-V310 HydrophobicContact CB-CB 4.44Å; A191-V310 HydrophobicContact CB-CG1 4.35Å; S195-V310 WeakPolarHBondContact OG-CG1 3Å; L308-V310 HydrophobicContact CB-CG1 4.26Å; L308-V310 PolarHBondContact O-N 2.66Å; V310-V312 VanDerWaalsContact C-N 3.3Å; V310-V312 PolarHBondContact O-N 3.4Å; V310-S313 PolarHBondContact O-N 2.85Å; V310-K314 WeakPolarHBondContact O-CG 3.36Å; V310-K314 PolarHBondContact O-N 2.94Å; V310-K314 VanDerWaalsContact O-N 3.13Å |
| 311 | N | 90 | Very high | 95.3 | Very high | 110 Ų | 110 | 27.9 Ų | 27.9 | 59% | 0.588 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -70 | -32.1 | -178.7 | -64.2 | -45.5 | 0 | 0 | 0 | 111.6 | D309 S313 | D309-N311 PolarHBondContact O-N 3.47Å; D309-N311 VanDerWaalsContact O-N 3.11Å; D309-N311 WeakPolarHBondContact OD1-CB 3.27Å; D309-N311 PolarHBondContact OD1-N 2.64Å; D309-N311 VanDerWaalsContact OD1-N 3.08Å; N311-S313 VanDerWaalsContact C-N 3.29Å; N311-S313 PolarHBondContact O-N 3.29Å |
| 312 | V | 91.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -36.7 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | V111 D113 D309 V310 H318 L320 | V111-V312 HydrophobicContact CG2-CG1 3.87Å; V111-V312 WeakPolarHBondContact CG2-O 3.28Å; D113-V312 HydrophobicContact CB-CB 4.32Å; D113-V312 HydrophobicContact CB-CG1 3.88Å; D113-V312 HydrophobicContact CB-CG2 4.2Å; D309-V312 HydrophobicContact CB-CB 4.48Å; D309-V312 HydrophobicContact CB-CG2 3.88Å; D309-V312 WeakPolarHBondContact O-CB 3.19Å; D309-V312 PolarHBondContact O-N 2.67Å; D309-V312 VanDerWaalsContact O-N 3.14Å; D309-V312 WeakPolarHBondContact OD2-CG2 3.43Å; V310-V312 VanDerWaalsContact C-N 3.3Å; V310-V312 PolarHBondContact O-N 3.4Å; V312-H318 WeakPolarHBondContact CG2-NE2 3.21Å; V312-L320 HydrophobicContact CG1-CD1 4.25Å |
| 313 | S | 94.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -80.2 | -32.6 | -178.9 | -55.5 | 0 | 0 | 0 | 0 | 113.8 | V111 F112 R187 V310 N311 | V111-S313 WeakPolarHBondContact O-CA 3.42Å; V111-S313 VanDerWaalsContact O-CB 3.31Å; V111-S313 WeakPolarHBondContact O-CB 3.4Å; V111-S313 PolarHBondContact O-OG 3.29Å; F112-S313 WeakPolarHBondContact CD1-OG 3.35Å; R187-S313 WeakPolarHBondContact CB-O 3.39Å; R187-S313 WeakPolarHBondContact CD-O 3.06Å; V310-S313 PolarHBondContact O-N 2.85Å; N311-S313 VanDerWaalsContact C-N 3.29Å; N311-S313 PolarHBondContact O-N 3.29Å |
| 314 | K | 92.6 | Very high | 95.3 | Very high | 56 Ų | 56 | 26.9 Ų | 26.9 | 24% | 0.243 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.5 | -42.4 | -172.3 | -75.2 | 177.1 | 176.5 | -167.1 | 0 | 113.9 | S188 E192 V310 | S188-K314 WeakPolarHBondContact OG-CG 3.27Å; E192-K314 IonicContact OE1-NZ 3.34Å; E192-K314 PolarHBondContact OE1-NZ 3.35Å; E192-K314 VanDerWaalsContact OE1-NZ 3.15Å; V310-K314 WeakPolarHBondContact O-CG 3.36Å; V310-K314 PolarHBondContact O-N 2.94Å; V310-K314 VanDerWaalsContact O-N 3.13Å |
| 315 | G | 91.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 27 Ų | 27 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | trans | -80.1 | 121.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N317 H318 | G315-N317 PolarHBondContact O-N 2.92Å; G315-H318 WeakPolarHBondContact O-CB 3.35Å; G315-H318 PolarHBondContact O-N 3.34Å | ||
| 316 | V | 94.4 | Very high | 95.3 | Very high | 23 Ų | 23 | 27 Ų | 27 | 14% | 0.139 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -34.4 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | A86 A105 K108 | A86-V316 WeakPolarHBondContact CB-O 3.34Å; A105-V316 HydrophobicContact CB-CB 4.44Å; A105-V316 HydrophobicContact CB-CG1 4.06Å; K108-V316 HydrophobicContact CB-CG1 4.31Å; K108-V316 VanDerWaalsContact CB-O 3.29Å; K108-V316 WeakPolarHBondContact CB-O 3.46Å; K108-V316 WeakPolarHBondContact CD-O 3.46Å; K108-V316 WeakPolarHBondContact CE-O 3.2Å |
| 317 | N | 95.8 | Very high | 95.3 | Very high | 80 Ų | 80 | 28 Ų | 28 | 43% | 0.428 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 6.8 | 179.2 | 68.8 | -37.1 | 0 | 0 | 0 | 114.4 | A105 G315 L319 | A105-N317 HydrophobicContact CB-CB 4.07Å; G315-N317 PolarHBondContact O-N 2.92Å; N317-L319 PolarHBondContact O-N 3.25Å |
| 318 | H | 96.7 | Very high | 95.3 | Very high | 59 Ų | 59 | 28.1 Ų | 28.1 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | trans | -65.7 | 133.9 | -179.4 | -172.3 | 89.4 | 0 | 0 | 0 | 110.5 | K108 V312 G315 | K108-H318 VanDerWaalsContact CD-O 3.25Å; K108-H318 WeakPolarHBondContact CD-O 3.3Å; K108-H318 WeakPolarHBondContact CE-O 3.19Å; V312-H318 WeakPolarHBondContact CG2-NE2 3.21Å; G315-H318 WeakPolarHBondContact O-CB 3.35Å; G315-H318 PolarHBondContact O-N 3.34Å | ||
| 319 | L | 98 | Very high | 95.4 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | trans | -91.7 | 130.4 | 177.9 | -76.4 | 171.3 | 0 | 0 | 0 | 109.5 | E48 Y58 R60 D83 N317 | E48-L319 HydrophobicContact CG-CD2 4.28Å; Y58-L319 WeakPolarHBondContact OH-CD1 3.27Å; R60-L319 HydrophobicContact CG-CD1 4.23Å; D83-L319 HydrophobicContact CB-CB 3.96Å; D83-L319 HydrophobicContact CB-CD2 4.2Å; N317-L319 PolarHBondContact O-N 3.25Å | ||
| 320 | L | 98.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.7 | 176 | -175.2 | 64 | 0 | 0 | 0 | 110.6 | D83 I84 V111 D113 H171 W173 V312 S322 | D83-L320 WeakPolarHBondContact CA-O 3.42Å; I84-L320 PolarHBondContact N-O 3.01Å; I84-L320 PolarHBondContact O-N 2.92Å; I84-L320 VanDerWaalsContact O-N 3.16Å; V111-L320 HydrophobicContact CB-CD2 3.6Å; V111-L320 HydrophobicContact CG1-CD2 3.81Å; V111-L320 HydrophobicContact CG2-CD2 3.99Å; D113-L320 HydrophobicContact CB-CD1 4.34Å; H171-L320 HydrophobicContact CB-CD2 4.1Å; W173-L320 HydrophobicContact CH2-CB 3.77Å; W173-L320 HydrophobicContact CH2-CD2 4.28Å; W173-L320 HydrophobicContact CH2-CG 4.28Å; W173-L320 HydrophobicContact CZ2-CB 3.76Å; W173-L320 HydrophobicContact CZ2-CD2 3.72Å; W173-L320 HydrophobicContact CZ2-CG 3.76Å; V312-L320 HydrophobicContact CG1-CD1 4.25Å; L320-S322 PolarHBondContact O-N 3.28Å |
| 321 | K | 98.5 | Very high | 96.1 | Very high | 40 Ų | 40 | 30.9 Ų | 30.9 | 17% | 0.174 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 130.5 | -178.9 | 176.7 | -174.8 | -73.2 | 161.3 | 0 | 111.5 | D83 S165 W173 S325 H327 | D83-K321 WeakPolarHBondContact OD1-CA 3.33Å; D83-K321 PolarHBondContact OD1-N 2.99Å; S165-K321 WeakPolarHBondContact O-CD 3.5Å; S165-K321 PolarHBondContact O-NZ 2.99Å; W173-K321 WeakPolarHBondContact CZ2-O 3.39Å; K321-S325 WeakPolarHBondContact CD-OG 3.49Å; K321-S325 WeakPolarHBondContact CG-OG 3.3Å; K321-H327 PolarHBondContact NZ-CD2 3.49Å |
| 322 | S | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 138.9 | -178.9 | 175.8 | 0 | 0 | 0 | 0 | 113.1 | Y28 I82 L320 S325 | Y28-S322 WeakPolarHBondContact CE2-OG 3.39Å; Y28-S322 VanDerWaalsContact CZ-OG 3.29Å; Y28-S322 PolarHBondContact OH-OG 2.88Å; I82-S322 VanDerWaalsContact O-CB 3.27Å; I82-S322 WeakPolarHBondContact O-CB 3.45Å; I82-S322 PolarHBondContact O-N 3.31Å; L320-S322 PolarHBondContact O-N 3.28Å; S322-S325 VanDerWaalsContact O-CB 3.26Å; S322-S325 WeakPolarHBondContact O-CB 3.28Å; S322-S325 PolarHBondContact O-N 2.97Å; S322-S325 PolarHBondContact O-OG 3.27Å |
| 323 | P | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 144.6 | 162 | -20 | 32.7 | 0 | 0 | 0 | 111.2 | W31 L161 V163 S325 | W31-P323 HydrophobicContact CH2-CG 3.59Å; W31-P323 HydrophobicContact CZ3-CB 4.5Å; W31-P323 HydrophobicContact CZ3-CG 3.6Å; L161-P323 HydrophobicContact CD2-CG 4.18Å; V163-P323 HydrophobicContact CG1-CB 4.11Å; V163-P323 HydrophobicContact CG1-CG 4.41Å; V163-P323 HydrophobicContact CG2-CB 4.24Å; V163-P323 HydrophobicContact CG2-CG 4.02Å; P323-S325 PolarHBondContact O-N 3.37Å |
| 324 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 9.6 | -173.8 | -53.5 | -81.7 | 0 | 0 | 0 | 115.3 | Y18 F23 P24 I333 S334 P336 L398 V402 F405 | Y18-F324 PolarHBondContact OH-O 3.15Å; F23-F324 HydrophobicContact CD2-CB 4.11Å; F23-F324 HydrophobicContact CE2-CB 3.77Å; F23-F324 HydrophobicContact CZ-CB 4.45Å; P24-F324 HydrophobicContact CG-CB 4.25Å; P24-F324 HydrophobicContact CG-CD1 3.85Å; P24-F324 HydrophobicContact CG-CD2 3.69Å; P24-F324 HydrophobicContact CG-CE1 4.07Å; P24-F324 HydrophobicContact CG-CE2 3.93Å; P24-F324 HydrophobicContact CG-CG 3.65Å; P24-F324 HydrophobicContact CG-CZ 4.1Å; F324-I333 HydrophobicContact CB-CG2 4.48Å; F324-I333 HydrophobicContact CD1-CG2 4.33Å; F324-S334 PolarHBondContact N-O 2.57Å; F324-P336 HydrophobicContact CE1-CG 4.48Å; F324-P336 HydrophobicContact CE2-CG 4.03Å; F324-P336 HydrophobicContact CZ-CG 3.72Å; F324-L398 HydrophobicContact CD1-CD1 4.23Å; F324-L398 HydrophobicContact CE1-CD1 4.37Å; F324-V402 HydrophobicContact CE1-CG2 3.94Å; F324-V402 HydrophobicContact CZ-CG2 4.37Å; F324-F405 HydrophobicContact CE2-CB 4.15Å; F324-F405 AromaticContact CE2-CD1 3.47Å; F324-F405 HydrophobicContact CE2-CD1 3.47Å; F324-F405 VanDerWaalsContact CE2-CD1 3.47Å; F324-F405 HydrophobicContact CE2-CD2 4.48Å; F324-F405 AromaticContact CE2-CE1 3.86Å; F324-F405 HydrophobicContact CE2-CE1 3.86Å; F324-F405 AromaticContact CE2-CG 3.82Å; F324-F405 HydrophobicContact CE2-CG 3.82Å; F324-F405 HydrophobicContact CZ-CB 3.91Å; F324-F405 AromaticContact CZ-CD1 3.96Å; F324-F405 HydrophobicContact CZ-CD1 3.96Å; F324-F405 HydrophobicContact CZ-CG 4.1Å |
| 325 | S | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | trans | -69.9 | 149.5 | 165.4 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | K321 S322 P323 S334 | K321-S325 WeakPolarHBondContact CD-OG 3.49Å; K321-S325 WeakPolarHBondContact CG-OG 3.3Å; S322-S325 VanDerWaalsContact O-CB 3.26Å; S322-S325 WeakPolarHBondContact O-CB 3.28Å; S322-S325 PolarHBondContact O-N 2.97Å; S322-S325 PolarHBondContact O-OG 3.27Å; P323-S325 PolarHBondContact O-N 3.37Å; S325-S334 WeakPolarHBondContact O-CB 3.13Å; S325-S334 PolarHBondContact O-N 2.98Å; S325-S334 PolarHBondContact O-OG 2.65Å; S325-S334 VanDerWaalsContact O-OG 3.05Å; S325-S334 PolarHBondContact OG-OG 2.69Å | ||
| 326 | V | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -87.5 | 131.9 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | L11 L15 Y18 P328 I333 I353 | L11-V326 HydrophobicContact CD1-CG1 3.83Å; L15-V326 HydrophobicContact CD2-CB 4.29Å; L15-V326 HydrophobicContact CD2-CG2 4.01Å; Y18-V326 HydrophobicContact CD1-CG2 3.74Å; Y18-V326 HydrophobicContact CE1-CG2 3.64Å; Y18-V326 HydrophobicContact CG-CG2 4.36Å; V326-P328 WeakPolarHBondContact O-CD 3.48Å; V326-I333 HydrophobicContact CB-CD1 4.36Å; V326-I333 HydrophobicContact CG1-CD1 4.46Å; V326-I333 HydrophobicContact CG2-CD1 3.65Å; V326-I353 HydrophobicContact CG1-CB 4Å; V326-I353 HydrophobicContact CG1-CD1 4.3Å; V326-I353 HydrophobicContact CG1-CG2 3.93Å; V326-I353 HydrophobicContact CG2-CB 4.4Å; V326-I353 HydrophobicContact CG2-CD1 3.96Å; V326-I353 HydrophobicContact CG2-CG1 4.47Å |
| 327 | H | 97.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 11% | 0.106 | 11% | 0.111 | C | C | . | . | trans | -82 | 115.9 | 175.1 | -175.2 | -67.5 | 0 | 0 | 0 | 110.7 | K321 K329 T330 G331 R332 | K321-H327 PolarHBondContact NZ-CD2 3.49Å; H327-K329 VanDerWaalsContact C-N 3.28Å; H327-K329 PolarHBondContact ND1-N 2.87Å; H327-K329 PolarHBondContact O-N 2.97Å; H327-T330 VanDerWaalsContact CB-OG1 3.28Å; H327-T330 WeakPolarHBondContact CB-OG1 3.17Å; H327-T330 PolarHBondContact ND1-N 3.24Å; H327-T330 PolarHBondContact ND1-OG1 3.35Å; H327-T330 PolarHBondContact O-N 3.13Å; H327-T330 VanDerWaalsContact O-N 3.11Å; H327-G331 WeakPolarHBondContact O-CA 3.23Å; H327-G331 PolarHBondContact O-N 3.02Å; H327-R332 PolarHBondContact N-O 2.9Å | ||
| 328 | P | 96.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 20.8 Ų | 20.8 | 14% | 0.143 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.8 | -166.8 | -28.4 | 36.5 | 0 | 0 | 0 | 115.8 | Y6 L11 Y80 K81 V326 | Y6-P328 VanDerWaalsContact CE1-O 3.27Å; Y6-P328 WeakPolarHBondContact CE1-O 3.43Å; Y6-P328 PolarHBondContact OH-O 2.92Å; L11-P328 HydrophobicContact CD2-CB 3.93Å; Y80-P328 WeakPolarHBondContact O-CG 3.05Å; K81-P328 HydrophobicContact CD-CG 4.5Å; K81-P328 HydrophobicContact CG-CG 3.78Å; V326-P328 WeakPolarHBondContact O-CD 3.48Å |
| 329 | K | 94.9 | Very high | 97.8 | Very high | 150 Ų | 150 | 20 Ų | 20 | 65% | 0.652 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -20.6 | -179.3 | -57.5 | -173 | 173.6 | -175.2 | 0 | 114.6 | H327 | H327-K329 VanDerWaalsContact C-N 3.28Å; H327-K329 PolarHBondContact ND1-N 2.87Å; H327-K329 PolarHBondContact O-N 2.97Å |
| 330 | T | 96.5 | Very high | 97.5 | Very high | 33 Ų | 33 | 26.7 Ų | 26.7 | 20% | 0.202 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -14.2 | -172.8 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | G166 R167 H327 R332 | G166-T330 PolarHBondContact O-OG1 2.96Å; R167-T330 HydrophobicContact CB-CG2 4.23Å; R167-T330 HydrophobicContact CG-CG2 3.95Å; H327-T330 VanDerWaalsContact CB-OG1 3.28Å; H327-T330 WeakPolarHBondContact CB-OG1 3.17Å; H327-T330 PolarHBondContact ND1-N 3.24Å; H327-T330 PolarHBondContact ND1-OG1 3.35Å; H327-T330 PolarHBondContact O-N 3.13Å; H327-T330 VanDerWaalsContact O-N 3.11Å; T330-R332 PolarHBondContact O-N 2.89Å; T330-R332 PolarHBondContact OG1-N 2.65Å |
| 331 | G | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | 69.3 | -8.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y6 H327 T352 I353 | Y6-G331 VanDerWaalsContact CD1-N 3.26Å; Y6-G331 VanDerWaalsContact CE2-CA 3.45Å; H327-G331 WeakPolarHBondContact O-CA 3.23Å; H327-G331 PolarHBondContact O-N 3.02Å; G331-T352 CarbonylContact O-C 3.56Å; G331-T352 VanDerWaalsContact O-CA 3.24Å; G331-T352 WeakPolarHBondContact O-CA 3.42Å; G331-I353 PolarHBondContact O-N 3.14Å | ||
| 332 | R | 98.3 | Very high | 96.8 | Very high | 31 Ų | 31 | 28.2 Ų | 28.2 | 12% | 0.117 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 142 | -174.7 | -63.7 | -177.1 | -172.5 | -78.6 | 1.8 | 111.1 | Y164 G166 H327 T330 P347 F348 V350 P351 T352 | Y164-R332 HydrophobicContact CE1-CB 4.11Å; Y164-R332 WeakPolarHBondContact OH-CD 3.46Å; G166-R332 WeakPolarHBondContact O-CB 3.38Å; H327-R332 PolarHBondContact N-O 2.9Å; T330-R332 PolarHBondContact O-N 2.89Å; T330-R332 PolarHBondContact OG1-N 2.65Å; R332-P347 VanDerWaalsContact CZ-O 3.29Å; R332-P347 PolarHBondContact NE-O 2.97Å; R332-P347 PolarHBondContact NH1-O 2.87Å; R332-P347 VanDerWaalsContact NH1-O 3.15Å; R332-F348 VanDerWaalsContact NH1-C 3.29Å; R332-F348 PolarHBondContact NH1-O 3.16Å; R332-F348 PolarHBondContact NH2-O 3.13Å; R332-V350 HydrophobicContact CB-CG1 4.22Å; R332-V350 PolarHBondContact NH1-O 3.15Å; R332-P351 WeakPolarHBondContact CA-O 3.46Å; R332-T352 HydrophobicContact CG-CG2 4.01Å |
| 333 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -80.3 | 137.9 | 175.2 | -50.8 | -52.9 | 0 | 0 | 0 | 109.8 | Y18 F324 V326 V335 V350 P351 I353 I356 L398 | Y18-I333 HydrophobicContact CE2-CD1 3.96Å; F324-I333 HydrophobicContact CB-CG2 4.48Å; F324-I333 HydrophobicContact CD1-CG2 4.33Å; V326-I333 HydrophobicContact CB-CD1 4.36Å; V326-I333 HydrophobicContact CG1-CD1 4.46Å; V326-I333 HydrophobicContact CG2-CD1 3.65Å; I333-V335 VanDerWaalsContact C-N 3.29Å; I333-V335 HydrophobicContact CB-CG1 3.91Å; I333-V335 HydrophobicContact CG2-CG1 3.89Å; I333-V335 PolarHBondContact O-N 3.46Å; I333-V350 VanDerWaalsContact O-CG1 3.31Å; I333-V350 WeakPolarHBondContact O-CG1 3.32Å; I333-P351 PolarHBondContact N-O 2.85Å; I333-I353 HydrophobicContact CD1-CB 4.28Å; I333-I356 HydrophobicContact CD1-CD1 3.98Å; I333-I356 HydrophobicContact CG1-CD1 3.88Å; I333-L398 HydrophobicContact CB-CD1 4.46Å; I333-L398 HydrophobicContact CG2-CD1 4Å |
| 334 | S | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -75.6 | 79.3 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | V163 Y164 F324 S325 | V163-S334 WeakPolarHBondContact CG1-O 3.18Å; Y164-S334 CarbonylContact O-C 3.52Å; Y164-S334 WeakPolarHBondContact O-CA 3.38Å; Y164-S334 VanDerWaalsContact O-CB 3.24Å; Y164-S334 WeakPolarHBondContact O-CB 3.22Å; F324-S334 PolarHBondContact N-O 2.57Å; S325-S334 WeakPolarHBondContact O-CB 3.13Å; S325-S334 PolarHBondContact O-N 2.98Å; S325-S334 PolarHBondContact O-OG 2.65Å; S325-S334 VanDerWaalsContact O-OG 3.05Å; S325-S334 PolarHBondContact OG-OG 2.69Å | ||
| 335 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -87.7 | 146.1 | -169 | -67.5 | 0 | 0 | 0 | 0 | 113.2 | V163 Y164 I333 F345 V350 L398 Y401 | V163-V335 WeakPolarHBondContact CA-O 3.38Å; Y164-V335 HydrophobicContact CD1-CG2 4.49Å; Y164-V335 PolarHBondContact N-O 2.82Å; I333-V335 VanDerWaalsContact C-N 3.29Å; I333-V335 HydrophobicContact CB-CG1 3.91Å; I333-V335 HydrophobicContact CG2-CG1 3.89Å; I333-V335 PolarHBondContact O-N 3.46Å; V335-F345 HydrophobicContact CG2-CE2 4.18Å; V335-F345 HydrophobicContact CG2-CZ 4.32Å; V335-V350 HydrophobicContact CG1-CG1 4.28Å; V335-V350 HydrophobicContact CG2-CG1 3.76Å; V335-V350 HydrophobicContact CG2-CG2 4.01Å; V335-L398 HydrophobicContact CG1-CD1 4.23Å; V335-Y401 HydrophobicContact CB-CD1 3.44Å; V335-Y401 VanDerWaalsContact CB-CD1 3.44Å; V335-Y401 HydrophobicContact CB-CD2 4.16Å; V335-Y401 HydrophobicContact CB-CE1 3.86Å; V335-Y401 HydrophobicContact CB-CG 3.57Å; V335-Y401 HydrophobicContact CG1-CD1 3.95Å; V335-Y401 HydrophobicContact CG1-CD2 3.69Å; V335-Y401 HydrophobicContact CG1-CE1 4.32Å; V335-Y401 HydrophobicContact CG1-CE2 4.1Å; V335-Y401 HydrophobicContact CG1-CG 3.57Å; V335-Y401 HydrophobicContact CG2-CD1 3.62Å; V335-Y401 HydrophobicContact CG2-CE1 3.47Å; V335-Y401 VanDerWaalsContact CG2-CE1 3.47Å; V335-Y401 HydrophobicContact CG2-CE2 4.47Å; V335-Y401 HydrophobicContact CG2-CG 4.15Å | ||
| 336 | P | 98.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -57 | 145.7 | 166.4 | -26.8 | 36.2 | 0 | 0 | 0 | 112.9 | L161 W162 F324 Y401 F405 | L161-P336 HydrophobicContact CD1-CB 3.98Å; L161-P336 HydrophobicContact CD1-CG 4.21Å; W162-P336 CarbonylContact O-C 3.44Å; W162-P336 WeakPolarHBondContact O-CA 3.31Å; F324-P336 HydrophobicContact CE1-CG 4.48Å; F324-P336 HydrophobicContact CE2-CG 4.03Å; F324-P336 HydrophobicContact CZ-CG 3.72Å; P336-Y401 WeakPolarHBondContact O-CD1 3.37Å; P336-F405 HydrophobicContact CG-CB 4.14Å |
| 337 | I | 98.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | trans | -106.4 | 127.4 | 178.9 | -56.3 | 179.7 | 0 | 0 | 0 | 108.8 | I143 W162 V170 V342 F345 | I143-I337 HydrophobicContact CD1-CD1 4.12Å; W162-I337 HydrophobicContact CB-CB 4.29Å; W162-I337 PolarHBondContact O-N 3.34Å; V170-I337 HydrophobicContact CB-CD1 4.44Å; V170-I337 HydrophobicContact CG1-CD1 3.7Å; I337-V342 HydrophobicContact CG2-CG2 4.43Å; I337-F345 HydrophobicContact CB-CD2 4.3Å; I337-F345 HydrophobicContact CD1-CD1 4.38Å; I337-F345 HydrophobicContact CD1-CD2 4.41Å; I337-F345 HydrophobicContact CD1-CE1 4.25Å; I337-F345 HydrophobicContact CD1-CE2 4.28Å; I337-F345 HydrophobicContact CD1-CG 4.46Å; I337-F345 HydrophobicContact CD1-CZ 4.2Å; I337-F345 HydrophobicContact CG1-CD2 3.91Å; I337-F345 HydrophobicContact CG1-CE2 3.71Å; I337-F345 HydrophobicContact CG1-CG 4.42Å; I337-F345 HydrophobicContact CG1-CZ 4.06Å; I337-F345 HydrophobicContact CG2-CB 4.23Å; I337-F345 HydrophobicContact CG2-CD2 3.86Å; I337-F345 HydrophobicContact CG2-CG 4.08Å | ||
| 338 | D | 95.9 | Very high | 96.2 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 19% | 0.193 | 22% | 0.219 | C | C | . | . | trans | -77.9 | 121.3 | 172 | -175.2 | 1.1 | 0 | 0 | 0 | 110.1 | K340 V342 Y404 | D338-K340 VanDerWaalsContact C-N 3.33Å; D338-K340 WeakPolarHBondContact OD1-CB 3.36Å; D338-K340 PolarHBondContact OD1-N 3.42Å; D338-V342 PolarHBondContact O-N 2.82Å; D338-Y404 HydrophobicContact CB-CD1 3.96Å; D338-Y404 HydrophobicContact CB-CD2 4.07Å; D338-Y404 HydrophobicContact CB-CE1 3.7Å; D338-Y404 HydrophobicContact CB-CE2 3.85Å; D338-Y404 HydrophobicContact CB-CG 4.15Å; D338-Y404 WeakPolarHBondContact OD2-CE1 3.36Å | ||
| 339 | L | 94.1 | Very high | 96.2 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -76.7 | -19.4 | -177.3 | -62.8 | 179.7 | 0 | 0 | 0 | 113.5 | I143 D147 W162 D341 | I143-L339 HydrophobicContact CG2-CD2 3.43Å; I143-L339 VanDerWaalsContact CG2-CD2 3.43Å; D147-L339 WeakPolarHBondContact OD1-CD1 3.45Å; W162-L339 HydrophobicContact CB-CD2 4.3Å; W162-L339 HydrophobicContact CG-CD2 4.02Å; L339-D341 PolarHBondContact O-N 3.01Å |
| 340 | K | 91.7 | Very high | 96.3 | Very high | 163 Ų | 163 | 41.1 Ų | 41.1 | 71% | 0.709 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -63.8 | -30.7 | 178.4 | -67.3 | 177.5 | -178.1 | 172.9 | 0 | 112 | D338 | D338-K340 VanDerWaalsContact C-N 3.33Å; D338-K340 WeakPolarHBondContact OD1-CB 3.36Å; D338-K340 PolarHBondContact OD1-N 3.42Å |
| 341 | D | 88.1 | Confident | 96.3 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -131.7 | 39.5 | -175.5 | -85.4 | -36.4 | 0 | 0 | 0 | 111.1 | L339 E343 K344 | L339-D341 PolarHBondContact O-N 3.01Å; D341-E343 PolarHBondContact O-N 3.01Å; D341-E343 VanDerWaalsContact O-N 3.15Å; D341-K344 HydrophobicContact CB-CB 4.39Å; D341-K344 HydrophobicContact CB-CD 4.03Å; D341-K344 HydrophobicContact CB-CG 4.38Å; D341-K344 WeakPolarHBondContact O-CB 3.26Å; D341-K344 PolarHBondContact O-N 3.47Å; D341-K344 WeakPolarHBondContact OD1-CE 3.29Å; D341-K344 IonicContact OD1-NZ 2.76Å; D341-K344 PolarHBondContact OD1-NZ 3.33Å; D341-K344 IonicContact OD2-NZ 3.1Å; D341-K344 PolarHBondContact OD2-NZ 3.28Å; D341-K344 VanDerWaalsContact OD2-NZ 3.1Å |
| 342 | V | 95.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -57.2 | -31.6 | -175.9 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | T140 I143 R144 I337 D338 K344 F345 | T140-V342 HydrophobicContact CG2-CG1 4.21Å; T140-V342 HydrophobicContact CG2-CG2 4.4Å; I143-V342 HydrophobicContact CB-CG2 4.26Å; I143-V342 HydrophobicContact CD1-CG2 3.79Å; I143-V342 HydrophobicContact CG2-CG2 4Å; R144-V342 HydrophobicContact CG-CG1 4.2Å; I337-V342 HydrophobicContact CG2-CG2 4.43Å; D338-V342 PolarHBondContact O-N 2.82Å; V342-K344 PolarHBondContact O-N 3.08Å; V342-F345 WeakPolarHBondContact O-CB 3.41Å; V342-F345 PolarHBondContact O-N 3.19Å |
| 343 | E | 93.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 38.4 Ų | 38.4 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -65.3 | -23.2 | 174.9 | -68 | 88.9 | 163.4 | 0 | 0 | 113.6 | T140 R144 R226 Y227 D341 | T140-E343 HydrophobicContact CG2-CG 4.2Å; R144-E343 IonicContact CZ-OE1 2.85Å; R144-E343 IonicContact CZ-OE2 3.21Å; R144-E343 IonicContact NE-OE1 3.43Å; R144-E343 PolarHBondContact NE-OE1 3.49Å; R144-E343 IonicContact NE-OE2 3.9Å; R144-E343 IonicContact NH2-OE1 3.96Å; R144-E343 PolarHBondContact NH2-OE1 2.88Å; R144-E343 IonicContact NH2-OE2 2.71Å; R144-E343 PolarHBondContact NH2-OE2 3.46Å; R226-E343 IonicContact NH2-OE1 3.97Å; Y227-E343 PolarHBondContact OH-OE1 3.16Å; D341-E343 PolarHBondContact O-N 3.01Å; D341-E343 VanDerWaalsContact O-N 3.15Å |
| 344 | K | 95.4 | Very high | 96.3 | Very high | 150 Ų | 150 | 39 Ų | 39 | 65% | 0.652 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -90.4 | -4.5 | 179 | -59.1 | 179.6 | -172.9 | 146.7 | 0 | 112.4 | D341 V342 D346 | D341-K344 HydrophobicContact CB-CB 4.39Å; D341-K344 HydrophobicContact CB-CD 4.03Å; D341-K344 HydrophobicContact CB-CG 4.38Å; D341-K344 WeakPolarHBondContact O-CB 3.26Å; D341-K344 PolarHBondContact O-N 3.47Å; D341-K344 WeakPolarHBondContact OD1-CE 3.29Å; D341-K344 IonicContact OD1-NZ 2.76Å; D341-K344 PolarHBondContact OD1-NZ 3.33Å; D341-K344 IonicContact OD2-NZ 3.1Å; D341-K344 PolarHBondContact OD2-NZ 3.28Å; D341-K344 VanDerWaalsContact OD2-NZ 3.1Å; V342-K344 PolarHBondContact O-N 3.08Å; K344-D346 PolarHBondContact O-N 2.88Å; K344-D346 VanDerWaalsContact O-N 3.15Å |
| 345 | F | 97.6 | Very high | 96.2 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | trans | -68.7 | 113.9 | 178.2 | -175.1 | -87.7 | 0 | 0 | 0 | 110.1 | W136 Y164 V335 I337 V342 P347 V350 Y401 | W136-F345 AromaticContact CE2-CD1 3.79Å; W136-F345 HydrophobicContact CH2-CE1 4.3Å; W136-F345 AromaticContact CZ2-CD1 3.58Å; W136-F345 HydrophobicContact CZ2-CD1 3.58Å; W136-F345 AromaticContact CZ2-CE1 3.49Å; W136-F345 HydrophobicContact CZ2-CE1 3.49Å; W136-F345 VanDerWaalsContact CZ2-CE1 3.49Å; W136-F345 AromaticContact NE1-CD1 3.57Å; W136-F345 PolarHBondContact NE1-O 2.77Å; Y164-F345 HydrophobicContact CD1-CZ 4.39Å; Y164-F345 HydrophobicContact CD2-CE1 4.14Å; Y164-F345 HydrophobicContact CD2-CZ 4.28Å; Y164-F345 HydrophobicContact CG-CE1 4.2Å; Y164-F345 AromaticContact CG-CZ 3.86Å; Y164-F345 HydrophobicContact CG-CZ 3.86Å; V335-F345 HydrophobicContact CG2-CE2 4.18Å; V335-F345 HydrophobicContact CG2-CZ 4.32Å; I337-F345 HydrophobicContact CB-CD2 4.3Å; I337-F345 HydrophobicContact CD1-CD1 4.38Å; I337-F345 HydrophobicContact CD1-CD2 4.41Å; I337-F345 HydrophobicContact CD1-CE1 4.25Å; I337-F345 HydrophobicContact CD1-CE2 4.28Å; I337-F345 HydrophobicContact CD1-CG 4.46Å; I337-F345 HydrophobicContact CD1-CZ 4.2Å; I337-F345 HydrophobicContact CG1-CD2 3.91Å; I337-F345 HydrophobicContact CG1-CE2 3.71Å; I337-F345 HydrophobicContact CG1-CG 4.42Å; I337-F345 HydrophobicContact CG1-CZ 4.06Å; I337-F345 HydrophobicContact CG2-CB 4.23Å; I337-F345 HydrophobicContact CG2-CD2 3.86Å; I337-F345 HydrophobicContact CG2-CG 4.08Å; V342-F345 WeakPolarHBondContact O-CB 3.41Å; V342-F345 PolarHBondContact O-N 3.19Å; F345-P347 HydrophobicContact CE1-CB 4.28Å; F345-V350 HydrophobicContact CE1-CG2 4.24Å; F345-V350 HydrophobicContact CE2-CG2 4.09Å; F345-V350 HydrophobicContact CZ-CG2 3.51Å; F345-Y401 HydrophobicContact CE2-CE1 4.41Å | ||
| 346 | D | 97.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 40.8 Ų | 40.8 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | trans | -107.5 | 112.7 | 176.4 | 177 | 9.1 | 0 | 0 | 0 | 110.4 | K344 F348 A349 V350 | K344-D346 PolarHBondContact O-N 2.88Å; K344-D346 VanDerWaalsContact O-N 3.15Å; D346-F348 PolarHBondContact O-N 2.82Å; D346-F348 WeakPolarHBondContact OD1-CB 3.25Å; D346-F348 WeakPolarHBondContact OD1-CD2 3.45Å; D346-F348 PolarHBondContact OD1-N 2.58Å; D346-A349 HydrophobicContact CB-CB 4Å; D346-A349 PolarHBondContact O-N 3.29Å; D346-V350 PolarHBondContact O-N 3.43Å | ||
| 347 | P | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.9 | 178 | 30.5 | -38.1 | 0 | 0 | 0 | 112.5 | I131 W136 Y164 R332 F345 | I131-P347 HydrophobicContact CD1-CB 4.02Å; I131-P347 HydrophobicContact CD1-CG 3.84Å; W136-P347 HydrophobicContact CD2-CB 4.21Å; W136-P347 HydrophobicContact CD2-CG 3.58Å; W136-P347 HydrophobicContact CE3-CB 4.09Å; W136-P347 HydrophobicContact CE3-CG 3.68Å; W136-P347 HydrophobicContact CG-CG 3.95Å; W136-P347 HydrophobicContact CH2-CB 4.16Å; W136-P347 HydrophobicContact CZ2-CB 4.26Å; W136-P347 HydrophobicContact CZ2-CG 4.45Å; W136-P347 HydrophobicContact CZ3-CB 4.06Å; W136-P347 HydrophobicContact CZ3-CG 4.18Å; Y164-P347 HydrophobicContact CE2-CB 3.76Å; R332-P347 VanDerWaalsContact CZ-O 3.29Å; R332-P347 PolarHBondContact NE-O 2.97Å; R332-P347 PolarHBondContact NH1-O 2.87Å; R332-P347 VanDerWaalsContact NH1-O 3.15Å; F345-P347 HydrophobicContact CE1-CB 4.28Å |
| 348 | F | 96.3 | Very high | 95.7 | Very high | 81 Ų | 81 | 44.8 Ų | 44.8 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -24.2 | 179.9 | -53.9 | -70.8 | 0 | 0 | 0 | 112.7 | I131 R332 D346 | I131-F348 HydrophobicContact CB-CZ 4.43Å; I131-F348 HydrophobicContact CD1-CE1 4.09Å; I131-F348 HydrophobicContact CD1-CZ 3.84Å; I131-F348 HydrophobicContact CG1-CE1 3.97Å; I131-F348 HydrophobicContact CG1-CZ 3.76Å; I131-F348 WeakPolarHBondContact O-CZ 3.47Å; R332-F348 VanDerWaalsContact NH1-C 3.29Å; R332-F348 PolarHBondContact NH1-O 3.16Å; R332-F348 PolarHBondContact NH2-O 3.13Å; D346-F348 PolarHBondContact O-N 2.82Å; D346-F348 WeakPolarHBondContact OD1-CB 3.25Å; D346-F348 WeakPolarHBondContact OD1-CD2 3.45Å; D346-F348 PolarHBondContact OD1-N 2.58Å |
| 349 | A | 96.2 | Very high | 95.7 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 48% | 0.479 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -89.3 | -3.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D346 | D346-A349 HydrophobicContact CB-CB 4Å; D346-A349 PolarHBondContact O-N 3.29Å |
| 350 | V | 97.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -64.4 | 130.6 | 175 | 173.5 | 0 | 0 | 0 | 0 | 109.7 | Y164 R332 I333 V335 F345 D346 | Y164-V350 HydrophobicContact CD1-CB 4.26Å; Y164-V350 HydrophobicContact CD1-CG1 3.88Å; Y164-V350 HydrophobicContact CD1-CG2 3.88Å; Y164-V350 HydrophobicContact CE1-CB 4.09Å; Y164-V350 HydrophobicContact CE1-CG1 3.96Å; Y164-V350 HydrophobicContact CE1-CG2 4.01Å; R332-V350 HydrophobicContact CB-CG1 4.22Å; R332-V350 PolarHBondContact NH1-O 3.15Å; I333-V350 VanDerWaalsContact O-CG1 3.31Å; I333-V350 WeakPolarHBondContact O-CG1 3.32Å; V335-V350 HydrophobicContact CG1-CG1 4.28Å; V335-V350 HydrophobicContact CG2-CG1 3.76Å; V335-V350 HydrophobicContact CG2-CG2 4.01Å; F345-V350 HydrophobicContact CE1-CG2 4.24Å; F345-V350 HydrophobicContact CE2-CG2 4.09Å; F345-V350 HydrophobicContact CZ-CG2 3.51Å; D346-V350 PolarHBondContact O-N 3.43Å |
| 351 | P | 97.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 139.4 | -177.2 | 22.6 | -33.4 | 0 | 0 | 0 | 112.3 | R332 I333 L355 I356 S397 Y401 | R332-P351 WeakPolarHBondContact CA-O 3.46Å; I333-P351 PolarHBondContact N-O 2.85Å; P351-L355 HydrophobicContact CB-CD2 4.33Å; P351-I356 HydrophobicContact CB-CG2 3.62Å; P351-I356 HydrophobicContact CG-CG2 4.41Å; P351-S397 WeakPolarHBondContact CB-OG 3.3Å; P351-Y401 HydrophobicContact CG-CD2 4.17Å; P351-Y401 HydrophobicContact CG-CE2 3.68Å |
| 352 | T | 98.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -87.7 | 158.5 | 165.9 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | G331 R332 S354 L355 I356 | G331-T352 CarbonylContact O-C 3.56Å; G331-T352 VanDerWaalsContact O-CA 3.24Å; G331-T352 WeakPolarHBondContact O-CA 3.42Å; R332-T352 HydrophobicContact CG-CG2 4.01Å; T352-S354 VanDerWaalsContact C-N 3.26Å; T352-S354 PolarHBondContact O-N 3.27Å; T352-L355 PolarHBondContact O-N 3.05Å; T352-L355 WeakPolarHBondContact OG1-CB 3.47Å; T352-L355 PolarHBondContact OG1-N 3.22Å; T352-I356 WeakPolarHBondContact O-CG1 3.48Å; T352-I356 PolarHBondContact O-N 3.3Å; T352-I356 VanDerWaalsContact O-N 3.16Å |
| 353 | I | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.3 | -41 | 172.8 | -170.3 | 178.7 | 0 | 0 | 0 | 111.5 | Y6 L11 L14 L15 Y18 V326 G331 I333 L355 I356 C357 | Y6-I353 HydrophobicContact CD2-CG2 4Å; Y6-I353 HydrophobicContact CE2-CG2 3.65Å; L11-I353 HydrophobicContact CD1-CD1 4.09Å; L11-I353 HydrophobicContact CD1-CG2 4.15Å; L14-I353 HydrophobicContact CB-CD1 3.59Å; L14-I353 HydrophobicContact CB-CG1 3.95Å; L14-I353 HydrophobicContact CB-CG2 4.49Å; L14-I353 HydrophobicContact CD1-CG2 3.99Å; L15-I353 HydrophobicContact CD2-CD1 4.02Å; L15-I353 HydrophobicContact CG-CD1 4.39Å; Y18-I353 HydrophobicContact CD2-CG1 4.45Å; Y18-I353 HydrophobicContact CG-CD1 4.17Å; Y18-I353 HydrophobicContact CG-CG1 4.32Å; V326-I353 HydrophobicContact CG1-CB 4Å; V326-I353 HydrophobicContact CG1-CD1 4.3Å; V326-I353 HydrophobicContact CG1-CG2 3.93Å; V326-I353 HydrophobicContact CG2-CB 4.4Å; V326-I353 HydrophobicContact CG2-CD1 3.96Å; V326-I353 HydrophobicContact CG2-CG1 4.47Å; G331-I353 PolarHBondContact O-N 3.14Å; I333-I353 HydrophobicContact CD1-CB 4.28Å; I353-L355 PolarHBondContact O-N 3.11Å; I353-I356 VanDerWaalsContact O-CG1 3.29Å; I353-I356 WeakPolarHBondContact O-CG1 3.47Å; I353-I356 PolarHBondContact O-N 3.33Å; I353-C357 WeakPolarHBondContact O-CB 3.43Å; I353-C357 PolarHBondContact O-N 2.9Å; I353-C357 PolarHBondContact O-SG 2.96Å |
| 354 | S | 97.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -50.7 | 175.9 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | L14 T352 I356 C357 E358 | L14-S354 WeakPolarHBondContact CD1-OG 3.42Å; T352-S354 VanDerWaalsContact C-N 3.26Å; T352-S354 PolarHBondContact O-N 3.27Å; S354-I356 PolarHBondContact O-N 2.87Å; S354-C357 PolarHBondContact O-N 3.49Å; S354-E358 WeakPolarHBondContact O-CG 3.4Å; S354-E358 PolarHBondContact O-N 2.74Å |
| 355 | L | 96.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | -179 | 175.3 | 63.9 | 0 | 0 | 0 | 112.1 | S4 P351 T352 I353 C357 E358 E359 | S4-L355 PolarHBondContact OG-N 2.69Å; P351-L355 HydrophobicContact CB-CD2 4.33Å; T352-L355 PolarHBondContact O-N 3.05Å; T352-L355 WeakPolarHBondContact OG1-CB 3.47Å; T352-L355 PolarHBondContact OG1-N 3.22Å; I353-L355 PolarHBondContact O-N 3.11Å; L355-C357 VanDerWaalsContact C-N 3.33Å; L355-C357 PolarHBondContact O-N 3.22Å; L355-E358 PolarHBondContact O-N 3.46Å; L355-E359 HydrophobicContact CD1-CG 4.26Å; L355-E359 WeakPolarHBondContact O-CB 3.49Å; L355-E359 VanDerWaalsContact O-CG 3.26Å; L355-E359 WeakPolarHBondContact O-CG 3.35Å; L355-E359 PolarHBondContact O-N 3.25Å |
| 356 | I | 96.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.4 | -26.4 | -176.6 | 60.1 | -179 | 0 | 0 | 0 | 112.7 | Y18 L22 I333 P351 T352 I353 S354 L360 T396 S397 L398 | Y18-I356 HydrophobicContact CD2-CD1 3.76Å; Y18-I356 HydrophobicContact CE2-CD1 3.69Å; L22-I356 HydrophobicContact CD1-CB 4.14Å; L22-I356 HydrophobicContact CD1-CD1 3.96Å; L22-I356 HydrophobicContact CD1-CG1 3.79Å; I333-I356 HydrophobicContact CD1-CD1 3.98Å; I333-I356 HydrophobicContact CG1-CD1 3.88Å; P351-I356 HydrophobicContact CB-CG2 3.62Å; P351-I356 HydrophobicContact CG-CG2 4.41Å; T352-I356 WeakPolarHBondContact O-CG1 3.48Å; T352-I356 PolarHBondContact O-N 3.3Å; T352-I356 VanDerWaalsContact O-N 3.16Å; I353-I356 VanDerWaalsContact O-CG1 3.29Å; I353-I356 WeakPolarHBondContact O-CG1 3.47Å; I353-I356 PolarHBondContact O-N 3.33Å; S354-I356 PolarHBondContact O-N 2.87Å; I356-L360 WeakPolarHBondContact O-CB 3.33Å; I356-L360 PolarHBondContact O-N 3.27Å; I356-T396 HydrophobicContact CB-CG2 4.47Å; I356-T396 WeakPolarHBondContact O-CG2 3.5Å; I356-S397 WeakPolarHBondContact CG2-OG 3.34Å; I356-L398 HydrophobicContact CD1-CD2 4.32Å; I356-L398 HydrophobicContact CG2-CB 4.3Å |
| 357 | C | 95.2 | Very high | 87.1 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.3 | -45.2 | 170.2 | -73.7 | 0 | 0 | 0 | 0 | 110.8 | L14 L17 I353 S354 L355 E359 L360 D361 | L14-C357 HydrophobicContact CD2-CB 4.02Å; L17-C357 HydrophobicContact CD2-CB 3.93Å; I353-C357 WeakPolarHBondContact O-CB 3.43Å; I353-C357 PolarHBondContact O-N 2.9Å; I353-C357 PolarHBondContact O-SG 2.96Å; S354-C357 PolarHBondContact O-N 3.49Å; L355-C357 VanDerWaalsContact C-N 3.33Å; L355-C357 PolarHBondContact O-N 3.22Å; C357-E359 PolarHBondContact O-N 2.89Å; C357-L360 WeakPolarHBondContact O-CB 3.37Å; C357-L360 PolarHBondContact O-N 3.22Å; C357-L360 VanDerWaalsContact O-N 3.15Å; C357-D361 PolarHBondContact O-N 3.48Å |
| 358 | E | 94.5 | Very high | 84.4 | Confident | 93 Ų | 93 | 62.7 Ų | 62.7 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 173.8 | -72.8 | 172.9 | -163.3 | 0 | 0 | 112.2 | S4 S354 L355 L360 D361 R362 | S4-E358 WeakPolarHBondContact CB-OE1 3.3Å; S354-E358 WeakPolarHBondContact O-CG 3.4Å; S354-E358 PolarHBondContact O-N 2.74Å; L355-E358 PolarHBondContact O-N 3.46Å; E358-L360 VanDerWaalsContact C-N 3.25Å; E358-L360 PolarHBondContact O-N 2.93Å; E358-D361 PolarHBondContact O-N 3.44Å; E358-R362 WeakPolarHBondContact O-CG 3.31Å; E358-R362 PolarHBondContact O-N 3.37Å |
| 359 | E | 94.6 | Very high | 81.7 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 176.4 | -75.1 | 172.8 | 156.7 | 0 | 0 | 112.4 | L355 C357 R362 T396 S397 | L355-E359 HydrophobicContact CD1-CG 4.26Å; L355-E359 WeakPolarHBondContact O-CB 3.49Å; L355-E359 VanDerWaalsContact O-CG 3.26Å; L355-E359 WeakPolarHBondContact O-CG 3.35Å; L355-E359 PolarHBondContact O-N 3.25Å; C357-E359 PolarHBondContact O-N 2.89Å; E359-R362 PolarHBondContact O-N 3.43Å; E359-T396 HydrophobicContact CB-CG2 4.04Å; E359-T396 WeakPolarHBondContact OE2-CA 3.38Å; E359-T396 WeakPolarHBondContact OE2-CB 3.42Å; E359-S397 PolarHBondContact OE1-OG 3.34Å; E359-S397 WeakPolarHBondContact OE2-CB 2.98Å; E359-S397 PolarHBondContact OE2-N 3.04Å; E359-S397 PolarHBondContact OE2-OG 3.16Å |
| 360 | L | 91.9 | Very high | 79 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.4 | -35.5 | 179.9 | -175.8 | 63 | 0 | 0 | 0 | 112.6 | L17 R21 L22 I356 C357 E358 R362 D392 R395 T396 | L17-L360 HydrophobicContact CD1-CD2 4.13Å; L17-L360 HydrophobicContact CG-CD2 4.38Å; R21-L360 HydrophobicContact CB-CD2 3.87Å; R21-L360 HydrophobicContact CG-CD2 4.49Å; L22-L360 HydrophobicContact CD1-CD2 4.32Å; L22-L360 HydrophobicContact CD2-CD1 4.35Å; L22-L360 HydrophobicContact CD2-CD2 4.04Å; L22-L360 HydrophobicContact CG-CD2 4.12Å; I356-L360 WeakPolarHBondContact O-CB 3.33Å; I356-L360 PolarHBondContact O-N 3.27Å; C357-L360 WeakPolarHBondContact O-CB 3.37Å; C357-L360 PolarHBondContact O-N 3.22Å; C357-L360 VanDerWaalsContact O-N 3.15Å; E358-L360 VanDerWaalsContact C-N 3.25Å; E358-L360 PolarHBondContact O-N 2.93Å; L360-R362 VanDerWaalsContact C-N 3.34Å; L360-D392 HydrophobicContact CD1-CB 3.67Å; L360-R395 PolarHBondContact O-NH1 3.44Å; L360-R395 PolarHBondContact O-NH2 2.9Å; L360-T396 HydrophobicContact CB-CG2 4.24Å |
| 361 | D | 88.8 | Confident | 76.1 | Confident | 111 Ų | 111 | 78.1 Ų | 78.1 | 59% | 0.594 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -80.3 | -13.8 | -179.2 | -70.3 | -20.8 | 0 | 0 | 0 | 113.1 | C357 E358 | C357-D361 PolarHBondContact O-N 3.48Å; E358-D361 PolarHBondContact O-N 3.44Å |
| 362 | R | 88.4 | Confident | 73.4 | Confident | 135 Ų | 135 | 82.3 Ų | 82.3 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -59.4 | 137.2 | 174.1 | -72.1 | 176.3 | -168.3 | 166 | 7.2 | 110.7 | E358 E359 L360 R395 | E358-R362 WeakPolarHBondContact O-CG 3.31Å; E358-R362 PolarHBondContact O-N 3.37Å; E359-R362 PolarHBondContact O-N 3.43Å; L360-R362 VanDerWaalsContact C-N 3.34Å; R362-R395 PolarHBondContact O-NH2 2.89Å |
| 363 | P | 75.6 | Confident | 70.4 | Confident | 121 Ų | 121 | 90.7 Ų | 90.7 | 79% | 0.786 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 142.8 | 174.7 | -12.2 | 20.8 | 0 | 0 | 0 | 110.1 | A365 | P363-A365 PolarHBondContact O-N 3.18Š|
| 364 | K | 70.1 | Confident | 67.4 | Low | 95 Ų | 95 | 99 Ų | 99 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -68 | 126.1 | 168.7 | -70.3 | 171 | -177.6 | 169.9 | 0 | 107.5 | D366 E367 | K364-D366 PolarHBondContact O-N 3.13Å; K364-E367 HydrophobicContact CB-CB 4.31Å; K364-E367 HydrophobicContact CB-CG 4.32Å; K364-E367 HydrophobicContact CD-CB 4.42Å; K364-E367 HydrophobicContact CD-CG 3.78Å; K364-E367 WeakPolarHBondContact CD-OE1 3.37Å; K364-E367 WeakPolarHBondContact CD-OE2 3.41Å; K364-E367 IonicContact NZ-OE1 3.41Å; K364-E367 PolarHBondContact NZ-OE1 2.68Å; K364-E367 IonicContact NZ-OE2 3.92Å; K364-E367 PolarHBondContact NZ-OE2 2.7Å |
| 365 | A | 57.5 | Low | 64.7 | Low | 99 Ų | 99 | 102.8 Ų | 102.8 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -12.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P363 | P363-A365 PolarHBondContact O-N 3.18Š|
| 366 | D | 52.4 | Low | 61.9 | Low | 147 Ų | 147 | 110.3 Ų | 110.3 | 79% | 0.786 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.3 | 50.6 | -173.4 | -57.3 | -48.1 | 0 | 0 | 0 | 113.4 | K364 | K364-D366 PolarHBondContact O-N 3.13Š|
| 367 | E | 49.7 | Very low | 59.1 | Low | 110 Ų | 110 | 118.5 Ų | 118.5 | 51% | 0.514 | 63% | 0.627 | S | S | . | * | trans | -128.5 | 36.4 | 169.6 | -83.1 | -169.1 | -179.9 | 0 | 0 | 113.8 | K364 | K364-E367 HydrophobicContact CB-CB 4.31Å; K364-E367 HydrophobicContact CB-CG 4.32Å; K364-E367 HydrophobicContact CD-CB 4.42Å; K364-E367 HydrophobicContact CD-CG 3.78Å; K364-E367 WeakPolarHBondContact CD-OE1 3.37Å; K364-E367 WeakPolarHBondContact CD-OE2 3.41Å; K364-E367 IonicContact NZ-OE1 3.41Å; K364-E367 PolarHBondContact NZ-OE1 2.68Å; K364-E367 IonicContact NZ-OE2 3.92Å; K364-E367 PolarHBondContact NZ-OE2 2.7Å | ||
| 368 | D | 40.5 | Very low | 56.5 | Low | 166 Ų | 166 | 129 Ų | 129 | 89% | 0.888 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -99 | -2.3 | 160.8 | -82.1 | -29.6 | 0 | 0 | 0 | 113.7 | ||
| 369 | E | 38.4 | Very low | 54 | Low | 187 Ų | 187 | 129.2 Ų | 129.2 | 87% | 0.874 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -118.2 | -1.1 | 179 | -73.9 | -166.4 | 162.9 | 0 | 0 | 116.5 | ||
| 370 | A | 39.5 | Very low | 51.7 | Low | 77 Ų | 77 | 133.6 Ų | 133.6 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | -108.6 | 29.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S372 | A370-S372 VanDerWaalsContact C-N 3.28Å; A370-S372 PolarHBondContact O-N 2.85Å | ||
| 371 | K | 36.6 | Very low | 49.7 | Very low | 202 Ų | 202 | 141.7 Ų | 141.7 | 88% | 0.878 | 74% | 0.735 | S | S | * | * | trans | -94.3 | 48.7 | 166.9 | -78.4 | -174.8 | -179.2 | 168.7 | 0 | 111.8 | ||||
| 372 | S | 40.7 | Very low | 47.8 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -172.4 | 102.1 | 162.3 | 52 | 0 | 0 | 0 | 0 | 104 | A370 | A370-S372 VanDerWaalsContact C-N 3.28Å; A370-S372 PolarHBondContact O-N 2.85Å |
| 373 | E | 35.3 | Very low | 45.9 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | S | Bend | -170.5 | 5.4 | 81.6 | -87.5 | -178.5 | 155.5 | 0 | 0 | 114.1 | A375 | E373-A375 VanDerWaalsContact C-N 3.34Å; E373-A375 PolarHBondContact O-N 3.19Å; E373-A375 VanDerWaalsContact O-N 3.1Å | |
| 374 | D | 36.2 | Very low | 44.6 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 94% | 0.936 | 72% | 0.719 | S | S | * | * | trans | -94 | 55.2 | -173.9 | -76.1 | -27.1 | 0 | 0 | 0 | 114.2 | ||||
| 375 | A | 39.8 | Very low | 43.8 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | trans | -107.2 | 57.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | E373 | E373-A375 VanDerWaalsContact C-N 3.34Å; E373-A375 PolarHBondContact O-N 3.19Å; E373-A375 VanDerWaalsContact O-N 3.1Å | ||
| 376 | K | 38.5 | Very low | 43.7 | Very low | 197 Ų | 197 | 134.4 Ų | 134.4 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | trans | -168.1 | 72 | 168.8 | -109.2 | 168.2 | -159.3 | -178.4 | 0 | 112.5 | ||||
| 377 | E | 36.3 | Very low | 43.9 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -159.2 | 129.1 | 149.2 | -110.5 | 162.8 | -147.8 | 0 | 0 | 109.3 | E379 | E377-E379 PolarHBondContact O-N 3.19Š| ||
| 378 | K | 41.4 | Very low | 44.3 | Very low | 225 Ų | 225 | 134.5 Ų | 134.5 | 98% | 0.978 | 68% | 0.681 | S | S | * | * | trans | -73.8 | 75.2 | 176.4 | -73.3 | -178.4 | 176.6 | -179.9 | 0 | 108.8 | ||||
| 379 | E | 41.4 | Very low | 45.1 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 45% | 0.453 | 65% | 0.652 | S | S | . | * | trans | -79.6 | 144.6 | 167.2 | -67.9 | -162.3 | 152.6 | 0 | 0 | 110.1 | E377 E381 K387 | E377-E379 PolarHBondContact O-N 3.19Å; E379-E381 PolarHBondContact O-N 3.3Å; E379-K387 IonicContact OE1-NZ 2.77Å; E379-K387 PolarHBondContact OE1-NZ 3.47Å; E379-K387 IonicContact OE2-NZ 3.17Å; E379-K387 PolarHBondContact OE2-NZ 2.8Å | ||
| 380 | N | 47.6 | Very low | 46.1 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | trans | -61.3 | 132.6 | 174.7 | -121.2 | -8.9 | 0 | 0 | 0 | 109.4 | Q382 D383 S384 | N380-Q382 PolarHBondContact O-N 3.27Å; N380-D383 PolarHBondContact O-N 3.25Å; N380-S384 PolarHBondContact O-N 3.08Å | ||
| 381 | E | 48.7 | Very low | 47.4 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -52.8 | -31.4 | -177.6 | -72.3 | -175 | 156.2 | 0 | 0 | 112.8 | E379 S384 A385 | E379-E381 PolarHBondContact O-N 3.3Å; E381-S384 PolarHBondContact O-N 2.94Å; E381-S384 PolarHBondContact O-OG 2.87Å; E381-A385 PolarHBondContact O-N 3.4Å; E381-A385 VanDerWaalsContact O-N 3.14Å |
| 382 | Q | 48.3 | Very low | 49.8 | Very low | 142 Ų | 142 | 119 Ų | 119 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.2 | -40.9 | 179.9 | -154 | 165.1 | -1.7 | 0 | 0 | 113.1 | N380 A385 E386 | N380-Q382 PolarHBondContact O-N 3.27Å; Q382-A385 PolarHBondContact O-N 3.27Å; Q382-E386 PolarHBondContact O-N 3.45Å; Q382-E386 VanDerWaalsContact O-N 3.15Å |
| 383 | D | 49.1 | Very low | 52.2 | Low | 92 Ų | 92 | 115.4 Ų | 115.4 | 49% | 0.492 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.2 | -37.7 | 175.8 | -102.7 | -24.3 | 0 | 0 | 0 | 111.4 | N380 A385 E386 K387 | N380-D383 PolarHBondContact O-N 3.25Å; D383-A385 VanDerWaalsContact C-N 3.34Å; D383-A385 PolarHBondContact O-N 3.44Å; D383-E386 PolarHBondContact O-N 3.26Å; D383-K387 WeakPolarHBondContact O-CB 2.93Å; D383-K387 WeakPolarHBondContact O-CG 3.25Å; D383-K387 PolarHBondContact O-N 2.85Å |
| 384 | S | 48.1 | Very low | 54.9 | Low | 59 Ų | 59 | 112.9 Ų | 112.9 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 177.6 | 81.6 | 0 | 0 | 0 | 0 | 112.2 | N380 E381 R388 | N380-S384 PolarHBondContact O-N 3.08Å; E381-S384 PolarHBondContact O-N 2.94Å; E381-S384 PolarHBondContact O-OG 2.87Å; S384-R388 VanDerWaalsContact O-CB 3.31Å; S384-R388 WeakPolarHBondContact O-CB 3.1Å; S384-R388 PolarHBondContact O-N 3.23Å |
| 385 | A | 54.5 | Low | 57.5 | Low | 42 Ų | 42 | 108.5 Ų | 108.5 | 35% | 0.347 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.3 | -38 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E381 Q382 D383 R388 K389 | E381-A385 PolarHBondContact O-N 3.4Å; E381-A385 VanDerWaalsContact O-N 3.14Å; Q382-A385 PolarHBondContact O-N 3.27Å; D383-A385 VanDerWaalsContact C-N 3.34Å; D383-A385 PolarHBondContact O-N 3.44Å; A385-R388 PolarHBondContact O-N 3.01Å; A385-K389 WeakPolarHBondContact O-CG 3.43Å; A385-K389 PolarHBondContact O-N 3.25Å |
| 386 | E | 54.1 | Low | 60.2 | Low | 73 Ų | 73 | 104.6 Ų | 104.6 | 34% | 0.341 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.8 | -43.6 | 176.8 | -161.3 | 164.4 | -165.3 | 0 | 0 | 111.2 | Q67 Q382 D383 R388 K389 I390 | Q67-E386 PolarHBondContact NE2-OE1 2.96Å; Q382-E386 PolarHBondContact O-N 3.45Å; Q382-E386 VanDerWaalsContact O-N 3.15Å; D383-E386 PolarHBondContact O-N 3.26Å; E386-R388 VanDerWaalsContact C-N 3.27Å; E386-R388 PolarHBondContact O-N 3.45Å; E386-K389 PolarHBondContact O-N 3.45Å; E386-I390 HydrophobicContact CG-CD1 4.49Å; E386-I390 WeakPolarHBondContact O-CG1 3.19Å; E386-I390 PolarHBondContact O-N 2.88Å |
| 387 | K | 56.8 | Low | 63 | Low | 86 Ų | 86 | 96.8 Ų | 96.8 | 37% | 0.374 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.4 | -38.7 | 169.8 | -74.5 | 178 | -172.6 | 172.4 | 0 | 112 | E379 D383 R391 | E379-K387 IonicContact OE1-NZ 2.77Å; E379-K387 PolarHBondContact OE1-NZ 3.47Å; E379-K387 IonicContact OE2-NZ 3.17Å; E379-K387 PolarHBondContact OE2-NZ 2.8Å; D383-K387 WeakPolarHBondContact O-CB 2.93Å; D383-K387 WeakPolarHBondContact O-CG 3.25Å; D383-K387 PolarHBondContact O-N 2.85Å; K387-R391 VanDerWaalsContact O-CG 3.25Å; K387-R391 WeakPolarHBondContact O-CG 3.23Å; K387-R391 PolarHBondContact O-N 2.76Å |
| 388 | R | 58.8 | Low | 65.9 | Low | 174 Ų | 174 | 88.6 Ų | 88.6 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.5 | -40.4 | 178.5 | -171.7 | 174 | 174.5 | 176.7 | -0.3 | 112.8 | S384 A385 E386 R391 D392 | S384-R388 VanDerWaalsContact O-CB 3.31Å; S384-R388 WeakPolarHBondContact O-CB 3.1Å; S384-R388 PolarHBondContact O-N 3.23Å; A385-R388 PolarHBondContact O-N 3.01Å; E386-R388 VanDerWaalsContact C-N 3.27Å; E386-R388 PolarHBondContact O-N 3.45Å; R388-R391 WeakPolarHBondContact O-CB 3.33Å; R388-R391 PolarHBondContact O-N 3.34Å; R388-D392 PolarHBondContact O-N 2.96Å |
| 389 | K | 57.5 | Low | 68.6 | Low | 64 Ų | 64 | 79.1 Ų | 79.1 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 174.7 | -69.7 | 173.8 | -172.8 | 170.6 | 0 | 112.5 | R20 E71 A385 E386 R391 D392 | R20-K389 WeakPolarHBondContact O-CE 3.16Å; E71-K389 IonicContact OE1-NZ 2.89Å; E71-K389 PolarHBondContact OE1-NZ 3.43Å; A385-K389 WeakPolarHBondContact O-CG 3.43Å; A385-K389 PolarHBondContact O-N 3.25Å; E386-K389 PolarHBondContact O-N 3.45Å; K389-R391 PolarHBondContact O-N 2.9Å; K389-D392 PolarHBondContact O-N 2.95Å |
| 390 | I | 59.6 | Low | 71.2 | Confident | 61 Ų | 61 | 79 Ų | 79 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.6 | -29.5 | 173.6 | -68 | 166.5 | 0 | 0 | 0 | 111.4 | E386 K394 | E386-I390 HydrophobicContact CG-CD1 4.49Å; E386-I390 WeakPolarHBondContact O-CG1 3.19Å; E386-I390 PolarHBondContact O-N 2.88Å; I390-K394 WeakPolarHBondContact O-CD 3.38Å; I390-K394 WeakPolarHBondContact O-CE 3.25Å; I390-K394 VanDerWaalsContact O-CG 3.22Å; I390-K394 WeakPolarHBondContact O-CG 3.2Å |
| 391 | R | 66.6 | Low | 73.6 | Confident | 173 Ų | 173 | 73.5 Ų | 73.5 | 65% | 0.653 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -78.6 | -21.4 | 174.8 | -69.3 | 169.3 | -175.3 | -165.5 | 1.7 | 113.1 | K387 R388 K389 R395 | K387-R391 VanDerWaalsContact O-CG 3.25Å; K387-R391 WeakPolarHBondContact O-CG 3.23Å; K387-R391 PolarHBondContact O-N 2.76Å; R388-R391 WeakPolarHBondContact O-CB 3.33Å; R388-R391 PolarHBondContact O-N 3.34Å; K389-R391 PolarHBondContact O-N 2.9Å; R391-R395 WeakPolarHBondContact O-CG 3.19Å |
| 392 | D | 85.7 | Confident | 75.9 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.043 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -81.4 | -53.8 | -171.2 | -80.5 | -23.8 | 0 | 0 | 0 | 113.4 | R21 L360 R388 K389 K394 R395 | R21-D392 IonicContact CZ-OD1 3.08Å; R21-D392 IonicContact CZ-OD2 3.85Å; R21-D392 IonicContact NE-OD2 2.75Å; R21-D392 PolarHBondContact NE-OD2 3.13Å; R21-D392 IonicContact NH2-OD1 2.81Å; R21-D392 PolarHBondContact NH2-OD1 3.11Å; R21-D392 IonicContact NH2-OD2 3.48Å; R21-D392 PolarHBondContact NH2-OD2 3.35Å; L360-D392 HydrophobicContact CD1-CB 3.67Å; R388-D392 PolarHBondContact O-N 2.96Å; K389-D392 PolarHBondContact O-N 2.95Å; D392-K394 PolarHBondContact O-N 2.95Å; D392-R395 WeakPolarHBondContact O-CB 3.41Å; D392-R395 PolarHBondContact O-N 3.43Å; D392-R395 IonicContact OD1-NH1 3.91Å |
| 393 | Y | 91.2 | Very high | 78.2 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 6% | 0.059 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -64.3 | -22.9 | 176.8 | 72 | -102.2 | 0 | 0 | 0 | 112.5 | Q27 R395 T396 A399 V402 | Q27-Y393 PolarHBondContact NE2-OH 3.39Å; Y393-R395 PolarHBondContact O-N 2.88Å; Y393-T396 PolarHBondContact O-N 3.38Å; Y393-T396 PolarHBondContact O-OG1 3.44Å; Y393-T396 VanDerWaalsContact O-OG1 3.1Å; Y393-A399 WeakPolarHBondContact O-CB 3.16Å; Y393-A399 PolarHBondContact O-N 2.98Å; Y393-V402 HydrophobicContact CD2-CB 4.08Å; Y393-V402 HydrophobicContact CD2-CG1 4.25Å; Y393-V402 HydrophobicContact CD2-CG2 3.86Å; Y393-V402 HydrophobicContact CE2-CB 3.76Å; Y393-V402 HydrophobicContact CE2-CG1 3.55Å; Y393-V402 HydrophobicContact CE2-CG2 4.02Å |
| 394 | K | 92.1 | Very high | 80.5 | Confident | 127 Ų | 127 | 63.6 Ų | 63.6 | 55% | 0.552 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -66.4 | -20.3 | 174.6 | -74 | -177.7 | -174.3 | -179.9 | 0 | 113.1 | I390 D392 T396 | I390-K394 WeakPolarHBondContact O-CD 3.38Å; I390-K394 WeakPolarHBondContact O-CE 3.25Å; I390-K394 VanDerWaalsContact O-CG 3.22Å; I390-K394 WeakPolarHBondContact O-CG 3.2Å; D392-K394 PolarHBondContact O-N 2.95Å; K394-T396 VanDerWaalsContact C-N 3.34Å |
| 395 | R | 92.6 | Very high | 82.9 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -87.9 | -3.4 | 177.1 | -65.5 | 167.4 | 63.1 | -134.9 | -7.7 | 113 | L360 R362 R391 D392 Y393 | L360-R395 PolarHBondContact O-NH1 3.44Å; L360-R395 PolarHBondContact O-NH2 2.9Å; R362-R395 PolarHBondContact O-NH2 2.89Å; R391-R395 WeakPolarHBondContact O-CG 3.19Å; D392-R395 WeakPolarHBondContact O-CB 3.41Å; D392-R395 PolarHBondContact O-N 3.43Å; D392-R395 IonicContact OD1-NH1 3.91Å; Y393-R395 PolarHBondContact O-N 2.88Å |
| 396 | T | 96.1 | Very high | 84.9 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -114.8 | 166.7 | -177.6 | 77.9 | 0 | 0 | 0 | 0 | 110.7 | L22 I356 E359 L360 Y393 K394 L398 A399 | L22-T396 HydrophobicContact CD2-CG2 3.87Å; I356-T396 HydrophobicContact CB-CG2 4.47Å; I356-T396 WeakPolarHBondContact O-CG2 3.5Å; E359-T396 HydrophobicContact CB-CG2 4.04Å; E359-T396 WeakPolarHBondContact OE2-CA 3.38Å; E359-T396 WeakPolarHBondContact OE2-CB 3.42Å; L360-T396 HydrophobicContact CB-CG2 4.24Å; Y393-T396 PolarHBondContact O-N 3.38Å; Y393-T396 PolarHBondContact O-OG1 3.44Å; Y393-T396 VanDerWaalsContact O-OG1 3.1Å; K394-T396 VanDerWaalsContact C-N 3.34Å; T396-L398 PolarHBondContact O-N 3.34Å; T396-L398 VanDerWaalsContact O-N 3.07Å; T396-L398 WeakPolarHBondContact OG1-CB 3.24Å; T396-L398 PolarHBondContact OG1-N 3.35Å; T396-A399 VanDerWaalsContact O-CB 3.29Å; T396-A399 WeakPolarHBondContact O-CB 3.29Å; T396-A399 PolarHBondContact O-N 3.12Å; T396-A399 VanDerWaalsContact O-N 3.09Å |
| 397 | S | 96.9 | Very high | 86.9 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.6 | 173 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | P351 I356 E359 A399 | P351-S397 WeakPolarHBondContact CB-OG 3.3Å; I356-S397 WeakPolarHBondContact CG2-OG 3.34Å; E359-S397 PolarHBondContact OE1-OG 3.34Å; E359-S397 WeakPolarHBondContact OE2-CB 2.98Å; E359-S397 PolarHBondContact OE2-N 3.04Å; E359-S397 PolarHBondContact OE2-OG 3.16Å; S397-A399 VanDerWaalsContact C-N 3.32Å |
| 398 | L | 97.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -25.5 | 172.2 | -168.4 | 60.5 | 0 | 0 | 0 | 112.7 | Y18 L22 F324 I333 V335 I356 T396 K400 Y401 V402 | Y18-L398 HydrophobicContact CE2-CD2 4.19Å; L22-L398 HydrophobicContact CB-CD2 4.42Å; F324-L398 HydrophobicContact CD1-CD1 4.23Å; F324-L398 HydrophobicContact CE1-CD1 4.37Å; I333-L398 HydrophobicContact CB-CD1 4.46Å; I333-L398 HydrophobicContact CG2-CD1 4Å; V335-L398 HydrophobicContact CG1-CD1 4.23Å; I356-L398 HydrophobicContact CD1-CD2 4.32Å; I356-L398 HydrophobicContact CG2-CB 4.3Å; T396-L398 PolarHBondContact O-N 3.34Å; T396-L398 VanDerWaalsContact O-N 3.07Å; T396-L398 WeakPolarHBondContact OG1-CB 3.24Å; T396-L398 PolarHBondContact OG1-N 3.35Å; L398-K400 VanDerWaalsContact C-N 3.29Å; L398-K400 PolarHBondContact O-N 3.41Å; L398-Y401 PolarHBondContact O-N 2.83Å; L398-V402 HydrophobicContact CG-CG2 4.12Å; L398-V402 PolarHBondContact O-N 2.76Å |
| 399 | A | 96.9 | Very high | 90.6 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52 | -42.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y393 T396 S397 Y401 V402 K403 | Y393-A399 WeakPolarHBondContact O-CB 3.16Å; Y393-A399 PolarHBondContact O-N 2.98Å; T396-A399 VanDerWaalsContact O-CB 3.29Å; T396-A399 WeakPolarHBondContact O-CB 3.29Å; T396-A399 PolarHBondContact O-N 3.12Å; T396-A399 VanDerWaalsContact O-N 3.09Å; S397-A399 VanDerWaalsContact C-N 3.32Å; A399-Y401 VanDerWaalsContact C-N 3.29Å; A399-Y401 PolarHBondContact O-N 3.49Å; A399-V402 PolarHBondContact O-N 2.75Å; A399-K403 PolarHBondContact O-N 3.25Å |
| 400 | K | 96.3 | Very high | 92.4 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -35.7 | -178.5 | 72.2 | -177.2 | -176.4 | 179.2 | 0 | 112.4 | L398 K403 Y404 | L398-K400 VanDerWaalsContact C-N 3.29Å; L398-K400 PolarHBondContact O-N 3.41Å; K400-K403 WeakPolarHBondContact O-CB 3.47Å; K400-K403 PolarHBondContact O-N 3.35Å; K400-Y404 WeakPolarHBondContact O-CD2 3.25Å; K400-Y404 PolarHBondContact O-N 3.29Å |
| 401 | Y | 98 | Very high | 93.9 | Very high | 9 Ų | 9 | 51 Ų | 51 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -79.3 | -34.2 | -178.7 | -58.3 | -74.6 | 0 | 0 | 0 | 112.2 | V335 P336 F345 P351 L398 A399 K403 Y404 F405 | V335-Y401 HydrophobicContact CB-CD1 3.44Å; V335-Y401 VanDerWaalsContact CB-CD1 3.44Å; V335-Y401 HydrophobicContact CB-CD2 4.16Å; V335-Y401 HydrophobicContact CB-CE1 3.86Å; V335-Y401 HydrophobicContact CB-CG 3.57Å; V335-Y401 HydrophobicContact CG1-CD1 3.95Å; V335-Y401 HydrophobicContact CG1-CD2 3.69Å; V335-Y401 HydrophobicContact CG1-CE1 4.32Å; V335-Y401 HydrophobicContact CG1-CE2 4.1Å; V335-Y401 HydrophobicContact CG1-CG 3.57Å; V335-Y401 HydrophobicContact CG2-CD1 3.62Å; V335-Y401 HydrophobicContact CG2-CE1 3.47Å; V335-Y401 VanDerWaalsContact CG2-CE1 3.47Å; V335-Y401 HydrophobicContact CG2-CE2 4.47Å; V335-Y401 HydrophobicContact CG2-CG 4.15Å; P336-Y401 WeakPolarHBondContact O-CD1 3.37Å; F345-Y401 HydrophobicContact CE2-CE1 4.41Å; P351-Y401 HydrophobicContact CG-CD2 4.17Å; P351-Y401 HydrophobicContact CG-CE2 3.68Å; L398-Y401 PolarHBondContact O-N 2.83Å; A399-Y401 VanDerWaalsContact C-N 3.29Å; A399-Y401 PolarHBondContact O-N 3.49Å; Y401-K403 VanDerWaalsContact C-N 3.27Å; Y401-K403 PolarHBondContact O-N 3.46Å; Y401-Y404 HydrophobicContact CD1-CD2 4.1Å; Y401-Y404 HydrophobicContact CD1-CE2 4.17Å; Y401-Y404 PolarHBondContact O-N 2.74Å; Y401-F405 PolarHBondContact O-N 3.13Å; Y401-F405 VanDerWaalsContact O-N 3.11Å |
| 402 | V | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -35.8 | 170.3 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | P24 Q27 F324 Y393 L398 A399 F405 D406 | P24-V402 HydrophobicContact CB-CG1 4.23Å; P24-V402 HydrophobicContact CB-CG2 4.21Å; P24-V402 HydrophobicContact CG-CG2 4.41Å; Q27-V402 HydrophobicContact CG-CG1 4.22Å; F324-V402 HydrophobicContact CE1-CG2 3.94Å; F324-V402 HydrophobicContact CZ-CG2 4.37Å; Y393-V402 HydrophobicContact CD2-CB 4.08Å; Y393-V402 HydrophobicContact CD2-CG1 4.25Å; Y393-V402 HydrophobicContact CD2-CG2 3.86Å; Y393-V402 HydrophobicContact CE2-CB 3.76Å; Y393-V402 HydrophobicContact CE2-CG1 3.55Å; Y393-V402 HydrophobicContact CE2-CG2 4.02Å; L398-V402 HydrophobicContact CG-CG2 4.12Å; L398-V402 PolarHBondContact O-N 2.76Å; A399-V402 PolarHBondContact O-N 2.75Å; V402-F405 WeakPolarHBondContact O-CB 3.41Å; V402-F405 PolarHBondContact O-N 3.49Å; V402-D406 PolarHBondContact O-N 3.21Å |
| 403 | K | 96.7 | Very high | 95.3 | Very high | 130 Ų | 130 | 43.7 Ų | 43.7 | 57% | 0.565 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -61.1 | -43.7 | 173.1 | -177.2 | -175.7 | 177.4 | -177.2 | 0 | 112.5 | A399 K400 Y401 F405 D406 Q407 | A399-K403 PolarHBondContact O-N 3.25Å; K400-K403 WeakPolarHBondContact O-CB 3.47Å; K400-K403 PolarHBondContact O-N 3.35Å; Y401-K403 VanDerWaalsContact C-N 3.27Å; Y401-K403 PolarHBondContact O-N 3.46Å; K403-F405 VanDerWaalsContact C-N 3.26Å; K403-F405 PolarHBondContact O-N 3.04Å; K403-D406 PolarHBondContact O-N 3Å; K403-Q407 WeakPolarHBondContact O-CG 3.32Å; K403-Q407 PolarHBondContact O-N 3.25Å |
| 404 | Y | 97.5 | Very high | 95 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60 | -39.8 | 174.2 | -59.7 | -33.6 | 0 | 0 | 0 | 111.6 | D338 K400 Y401 Q407 F408 | D338-Y404 HydrophobicContact CB-CD1 3.96Å; D338-Y404 HydrophobicContact CB-CD2 4.07Å; D338-Y404 HydrophobicContact CB-CE1 3.7Å; D338-Y404 HydrophobicContact CB-CE2 3.85Å; D338-Y404 HydrophobicContact CB-CG 4.15Å; D338-Y404 WeakPolarHBondContact OD2-CE1 3.36Å; K400-Y404 WeakPolarHBondContact O-CD2 3.25Å; K400-Y404 PolarHBondContact O-N 3.29Å; Y401-Y404 HydrophobicContact CD1-CD2 4.1Å; Y401-Y404 HydrophobicContact CD1-CE2 4.17Å; Y401-Y404 PolarHBondContact O-N 2.74Å; Y404-Q407 PolarHBondContact O-N 3.24Å; Y404-F408 PolarHBondContact O-N 2.98Å; Y404-F408 VanDerWaalsContact O-N 3.11Å |
| 405 | F | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 175.8 | -165.8 | -142.4 | 0 | 0 | 0 | 112.7 | Q27 W31 L161 F324 P336 Y401 V402 K403 Q407 F408 L409 | Q27-F405 HydrophobicContact CB-CD1 3.5Å; Q27-F405 VanDerWaalsContact CB-CD1 3.5Å; Q27-F405 HydrophobicContact CB-CE1 3.58Å; Q27-F405 HydrophobicContact CG-CD1 4.33Å; W31-F405 HydrophobicContact CB-CE1 4.47Å; W31-F405 HydrophobicContact CB-CE2 4.18Å; W31-F405 HydrophobicContact CB-CZ 3.57Å; W31-F405 HydrophobicContact CD2-CE2 4.1Å; W31-F405 AromaticContact CD2-CZ 3.86Å; W31-F405 HydrophobicContact CD2-CZ 3.86Å; W31-F405 HydrophobicContact CE3-CE2 4.34Å; W31-F405 AromaticContact CE3-CZ 3.82Å; W31-F405 HydrophobicContact CE3-CZ 3.82Å; W31-F405 HydrophobicContact CG-CE2 4.02Å; W31-F405 AromaticContact CG-CZ 3.77Å; W31-F405 HydrophobicContact CG-CZ 3.77Å; L161-F405 HydrophobicContact CD1-CD2 4.08Å; L161-F405 HydrophobicContact CD2-CD2 4.14Å; L161-F405 HydrophobicContact CD2-CE2 3.76Å; F324-F405 HydrophobicContact CE2-CB 4.15Å; F324-F405 AromaticContact CE2-CD1 3.47Å; F324-F405 HydrophobicContact CE2-CD1 3.47Å; F324-F405 VanDerWaalsContact CE2-CD1 3.47Å; F324-F405 HydrophobicContact CE2-CD2 4.48Å; F324-F405 AromaticContact CE2-CE1 3.86Å; F324-F405 HydrophobicContact CE2-CE1 3.86Å; F324-F405 AromaticContact CE2-CG 3.82Å; F324-F405 HydrophobicContact CE2-CG 3.82Å; F324-F405 HydrophobicContact CZ-CB 3.91Å; F324-F405 AromaticContact CZ-CD1 3.96Å; F324-F405 HydrophobicContact CZ-CD1 3.96Å; F324-F405 HydrophobicContact CZ-CG 4.1Å; P336-F405 HydrophobicContact CG-CB 4.14Å; Y401-F405 PolarHBondContact O-N 3.13Å; Y401-F405 VanDerWaalsContact O-N 3.11Å; V402-F405 WeakPolarHBondContact O-CB 3.41Å; V402-F405 PolarHBondContact O-N 3.49Å; K403-F405 VanDerWaalsContact C-N 3.26Å; K403-F405 PolarHBondContact O-N 3.04Å; F405-Q407 VanDerWaalsContact C-N 3.29Å; F405-Q407 PolarHBondContact O-N 3.11Å; F405-F408 AromaticContact CD2-CD1 3.93Å; F405-F408 HydrophobicContact CD2-CD1 3.93Å; F405-F408 AromaticContact CE2-CD1 3.94Å; F405-F408 HydrophobicContact CE2-CD1 3.94Å; F405-F408 HydrophobicContact CE2-CE1 4.22Å; F405-F408 WeakPolarHBondContact O-CB 3.09Å; F405-F408 PolarHBondContact O-N 3.16Å; F405-L409 HydrophobicContact CD1-CD1 4.1Å; F405-L409 HydrophobicContact CD2-CG 4.37Å; F405-L409 HydrophobicContact CE1-CD1 4.03Å; F405-L409 HydrophobicContact CE2-CD1 4.48Å; F405-L409 HydrophobicContact CE2-CD2 4.22Å; F405-L409 HydrophobicContact CE2-CG 4.3Å; F405-L409 HydrophobicContact CG-CD1 4.38Å; F405-L409 HydrophobicContact CZ-CD1 4.23Å; F405-L409 HydrophobicContact CZ-CD2 4.33Å; F405-L409 HydrophobicContact CZ-CG 4.47Å; F405-L409 VanDerWaalsContact O-CG 3.27Å; F405-L409 WeakPolarHBondContact O-CG 3.46Å; F405-L409 PolarHBondContact O-N 2.99Å |
| 406 | D | 96.6 | Very high | 93.7 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 176.1 | -89.9 | -45.3 | 0 | 0 | 0 | 112.3 | Q27 R30 V402 K403 L409 A410 | Q27-D406 WeakPolarHBondContact CG-OD1 3.44Å; Q27-D406 PolarHBondContact NE2-OD2 3.36Å; R30-D406 IonicContact CZ-OD1 2.65Å; R30-D406 IonicContact NH1-OD1 2.9Å; R30-D406 PolarHBondContact NH1-OD1 3.03Å; V402-D406 PolarHBondContact O-N 3.21Å; K403-D406 PolarHBondContact O-N 3Å; D406-L409 PolarHBondContact O-N 3.12Å; D406-A410 WeakPolarHBondContact O-CB 3.41Å; D406-A410 PolarHBondContact O-N 2.92Å |
| 407 | Q | 96.3 | Very high | 92.6 | Very high | 74 Ų | 74 | 47 Ų | 47 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62 | -49.3 | 173.1 | -72.6 | 172.4 | -10.2 | 0 | 0 | 111.4 | K403 Y404 F405 L409 A410 E411 | K403-Q407 WeakPolarHBondContact O-CG 3.32Å; K403-Q407 PolarHBondContact O-N 3.25Å; Y404-Q407 PolarHBondContact O-N 3.24Å; F405-Q407 VanDerWaalsContact C-N 3.29Å; F405-Q407 PolarHBondContact O-N 3.11Å; Q407-L409 VanDerWaalsContact C-N 3.3Å; Q407-L409 PolarHBondContact O-N 2.74Å; Q407-A410 WeakPolarHBondContact O-CB 3.45Å; Q407-A410 PolarHBondContact O-N 3.08Å; Q407-E411 PolarHBondContact O-N 2.85Å; Q407-E411 VanDerWaalsContact O-N 3.11Å |
| 408 | F | 97.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57 | -42.4 | 174.6 | 167.6 | -101.4 | 0 | 0 | 0 | 112.4 | W31 H159 L161 C175 Y404 F405 E411 M412 | W31-F408 AromaticContact CD1-CE1 3.83Å; W31-F408 AromaticContact NE1-CE1 3.85Å; H159-F408 HydrophobicContact CB-CE2 4.1Å; L161-F408 HydrophobicContact CB-CD1 4.39Å; L161-F408 HydrophobicContact CB-CD2 4.23Å; L161-F408 HydrophobicContact CB-CE1 3.95Å; L161-F408 HydrophobicContact CB-CE2 3.8Å; L161-F408 HydrophobicContact CB-CG 4.49Å; L161-F408 HydrophobicContact CB-CZ 3.64Å; L161-F408 HydrophobicContact CD1-CB 4.48Å; L161-F408 HydrophobicContact CD1-CD1 4.08Å; L161-F408 HydrophobicContact CD1-CD2 4.48Å; L161-F408 HydrophobicContact CD1-CE1 4.41Å; L161-F408 HydrophobicContact CD1-CG 4.1Å; L161-F408 HydrophobicContact CD2-CD1 4.47Å; L161-F408 HydrophobicContact CD2-CE1 4.13Å; L161-F408 HydrophobicContact CG-CE1 4.39Å; C175-F408 HydrophobicContact CB-CZ 3.97Å; Y404-F408 PolarHBondContact O-N 2.98Å; Y404-F408 VanDerWaalsContact O-N 3.11Å; F405-F408 AromaticContact CD2-CD1 3.93Å; F405-F408 HydrophobicContact CD2-CD1 3.93Å; F405-F408 AromaticContact CE2-CD1 3.94Å; F405-F408 HydrophobicContact CE2-CD1 3.94Å; F405-F408 HydrophobicContact CE2-CE1 4.22Å; F405-F408 WeakPolarHBondContact O-CB 3.09Å; F405-F408 PolarHBondContact O-N 3.16Å; F408-E411 PolarHBondContact O-N 2.5Å; F408-M412 HydrophobicContact CD1-SD 3.92Å; F408-M412 HydrophobicContact CE1-CG 4.36Å; F408-M412 HydrophobicContact CE1-SD 3.16Å; F408-M412 WeakPolarHBondContact CE1-SD 3.44Å; F408-M412 HydrophobicContact CE2-CG 4.33Å; F408-M412 HydrophobicContact CE2-SD 3.93Å; F408-M412 HydrophobicContact CZ-CG 4.12Å; F408-M412 HydrophobicContact CZ-SD 3.16Å; F408-M412 WeakPolarHBondContact CZ-SD 3.49Å; F408-M412 PolarHBondContact O-N 3.07Å |
| 409 | L | 96.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.2 | -32.2 | 178 | -66 | 175 | 0 | 0 | 0 | 113.4 | Q27 R30 W31 F405 D406 Q407 M412 A413 | Q27-L409 HydrophobicContact CB-CD1 3.72Å; Q27-L409 HydrophobicContact CG-CD1 4.19Å; Q27-L409 WeakPolarHBondContact O-CD1 3.39Å; R30-L409 HydrophobicContact CB-CD1 4.3Å; W31-L409 HydrophobicContact CB-CD2 3.59Å; W31-L409 HydrophobicContact CG-CD2 4.16Å; F405-L409 HydrophobicContact CD1-CD1 4.1Å; F405-L409 HydrophobicContact CD2-CG 4.37Å; F405-L409 HydrophobicContact CE1-CD1 4.03Å; F405-L409 HydrophobicContact CE2-CD1 4.48Å; F405-L409 HydrophobicContact CE2-CD2 4.22Å; F405-L409 HydrophobicContact CE2-CG 4.3Å; F405-L409 HydrophobicContact CG-CD1 4.38Å; F405-L409 HydrophobicContact CZ-CD1 4.23Å; F405-L409 HydrophobicContact CZ-CD2 4.33Å; F405-L409 HydrophobicContact CZ-CG 4.47Å; F405-L409 VanDerWaalsContact O-CG 3.27Å; F405-L409 WeakPolarHBondContact O-CG 3.46Å; F405-L409 PolarHBondContact O-N 2.99Å; D406-L409 PolarHBondContact O-N 3.12Å; Q407-L409 VanDerWaalsContact C-N 3.3Å; Q407-L409 PolarHBondContact O-N 2.74Å; L409-M412 HydrophobicContact CD2-SD 4.39Å; L409-A413 WeakPolarHBondContact O-CB 3.27Å; L409-A413 PolarHBondContact O-N 2.83Å |
| 410 | A | 93.9 | Very high | 88.3 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 37% | 0.372 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | D406 Q407 M412 A413 D414 | D406-A410 WeakPolarHBondContact O-CB 3.41Å; D406-A410 PolarHBondContact O-N 2.92Å; Q407-A410 WeakPolarHBondContact O-CB 3.45Å; Q407-A410 PolarHBondContact O-N 3.08Å; A410-M412 VanDerWaalsContact C-N 3.32Å; A410-M412 PolarHBondContact O-N 2.8Å; A410-A413 PolarHBondContact O-N 2.83Å; A410-A413 VanDerWaalsContact O-N 3.11Å; A410-D414 PolarHBondContact O-N 3.24Å |
| 411 | E | 92.6 | Very high | 86.9 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 176.5 | -67.4 | 173.8 | -173.7 | 0 | 0 | 112.1 | H159 Q407 F408 S415 | H159-E411 PolarHBondContact CE1-O 2.72Å; Q407-E411 PolarHBondContact O-N 2.85Å; Q407-E411 VanDerWaalsContact O-N 3.11Å; F408-E411 PolarHBondContact O-N 2.5Å; E411-S415 PolarHBondContact O-N 2.89Å |
| 412 | M | 92.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 172.9 | -76.8 | -180 | 53.1 | 0 | 0 | 113 | Y34 H159 C175 F408 L409 A410 D414 S415 W416 | Y34-M412 HydrophobicContact CD1-CE 3.65Å; Y34-M412 HydrophobicContact CE1-CE 3.33Å; H159-M412 HydrophobicContact CB-CG 3.91Å; C175-M412 HydrophobicContact CB-CE 4.37Å; C175-M412 HydrophobicContact CB-SD 4.13Å; F408-M412 HydrophobicContact CD1-SD 3.92Å; F408-M412 HydrophobicContact CE1-CG 4.36Å; F408-M412 HydrophobicContact CE1-SD 3.16Å; F408-M412 WeakPolarHBondContact CE1-SD 3.44Å; F408-M412 HydrophobicContact CE2-CG 4.33Å; F408-M412 HydrophobicContact CE2-SD 3.93Å; F408-M412 HydrophobicContact CZ-CG 4.12Å; F408-M412 HydrophobicContact CZ-SD 3.16Å; F408-M412 WeakPolarHBondContact CZ-SD 3.49Å; F408-M412 PolarHBondContact O-N 3.07Å; L409-M412 HydrophobicContact CD2-SD 4.39Å; A410-M412 VanDerWaalsContact C-N 3.32Å; A410-M412 PolarHBondContact O-N 2.8Å; M412-D414 VanDerWaalsContact C-N 3.32Å; M412-D414 PolarHBondContact O-N 3.03Å; M412-S415 PolarHBondContact O-N 3.48Å; M412-S415 PolarHBondContact O-OG 3.39Å; M412-W416 HydrophobicContact CB-CH2 4.22Å; M412-W416 HydrophobicContact CB-CZ2 4.01Å; M412-W416 HydrophobicContact CE-CH2 3.63Å; M412-W416 HydrophobicContact CE-CZ2 3.28Å; M412-W416 PolarHBondContact O-N 3.28Å |
| 413 | A | 88.2 | Confident | 83.9 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.7 | -37.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L409 A410 S415 W416 K417 | L409-A413 WeakPolarHBondContact O-CB 3.27Å; L409-A413 PolarHBondContact O-N 2.83Å; A410-A413 PolarHBondContact O-N 2.83Å; A410-A413 VanDerWaalsContact O-N 3.11Å; A413-S415 VanDerWaalsContact C-N 3.31Å; A413-S415 PolarHBondContact O-N 2.87Å; A413-W416 PolarHBondContact O-N 3Å; A413-K417 WeakPolarHBondContact O-CG 3.24Å; A413-K417 PolarHBondContact O-N 3.02Å |
| 414 | D | 86.5 | Confident | 82.6 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 178 | -70.9 | -17.8 | 0 | 0 | 0 | 111.8 | A410 M412 W416 G418 | A410-D414 PolarHBondContact O-N 3.24Å; M412-D414 VanDerWaalsContact C-N 3.32Å; M412-D414 PolarHBondContact O-N 3.03Å; D414-W416 PolarHBondContact O-N 3.24Å; D414-G418 PolarHBondContact O-N 3.28Å; D414-G418 VanDerWaalsContact O-N 3.14Å |
| 415 | S | 82.6 | Confident | 81.2 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 26% | 0.259 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.3 | -32.8 | 176.3 | 80 | 0 | 0 | 0 | 0 | 112.9 | H159 E411 M412 A413 K419 | H159-S415 PolarHBondContact CE1-OG 2.96Å; H159-S415 VanDerWaalsContact NE2-CB 3.34Å; H159-S415 WeakPolarHBondContact NE2-CB 3.45Å; H159-S415 PolarHBondContact NE2-OG 3.19Å; E411-S415 PolarHBondContact O-N 2.89Å; M412-S415 PolarHBondContact O-N 3.48Å; M412-S415 PolarHBondContact O-OG 3.39Å; A413-S415 VanDerWaalsContact C-N 3.31Å; A413-S415 PolarHBondContact O-N 2.87Å; S415-K419 PolarHBondContact O-N 3.02Å |
| 416 | W | 74.8 | Confident | 79.8 | Confident | 34 Ų | 34 | 70.1 Ų | 70.1 | 13% | 0.129 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75.8 | -41.7 | 175.4 | -55.2 | -22.9 | 0 | 0 | 0 | 113 | Y34 G35 M412 A413 D414 G418 K419 L420 | Y34-W416 VanDerWaalsContact C-CZ3 3.41Å; Y34-W416 VanDerWaalsContact CA-CZ2 3.48Å; Y34-W416 HydrophobicContact CD1-CH2 4.26Å; Y34-W416 AromaticContact CD1-CZ2 3.49Å; Y34-W416 HydrophobicContact CD1-CZ2 3.49Å; Y34-W416 VanDerWaalsContact CD1-CZ2 3.49Å; Y34-W416 HydrophobicContact CE1-CZ2 4.35Å; Y34-W416 HydrophobicContact CG-CZ2 4.1Å; G35-W416 VanDerWaalsContact CA-CE3 3.46Å; G35-W416 VanDerWaalsContact CA-CZ3 3.47Å; M412-W416 HydrophobicContact CB-CH2 4.22Å; M412-W416 HydrophobicContact CB-CZ2 4.01Å; M412-W416 HydrophobicContact CE-CH2 3.63Å; M412-W416 HydrophobicContact CE-CZ2 3.28Å; M412-W416 PolarHBondContact O-N 3.28Å; A413-W416 PolarHBondContact O-N 3Å; D414-W416 PolarHBondContact O-N 3.24Å; W416-G418 VanDerWaalsContact C-N 3.26Å; W416-G418 PolarHBondContact O-N 3.32Å; W416-K419 WeakPolarHBondContact O-CA 3.35Å; W416-K419 WeakPolarHBondContact O-CB 3.43Å; W416-K419 PolarHBondContact O-N 3.21Å; W416-L420 PolarHBondContact O-N 2.83Å |
| 417 | K | 71.7 | Confident | 78.6 | Confident | 130 Ų | 130 | 73.8 Ų | 73.8 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -56.9 | -44.1 | 174.9 | -75.5 | 176.4 | -178.8 | 174.3 | 0 | 110.9 | A413 K419 L420 L421 | A413-K417 WeakPolarHBondContact O-CG 3.24Å; A413-K417 PolarHBondContact O-N 3.02Å; K417-K419 PolarHBondContact O-N 2.98Å; K417-L420 PolarHBondContact O-N 2.85Å; K417-L421 WeakPolarHBondContact O-CG 3.3Å; K417-L421 PolarHBondContact O-N 3.09Å |
| 418 | G | 65.4 | Low | 77.2 | Confident | 25 Ų | 25 | 78.2 Ų | 78.2 | 26% | 0.258 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.8 | -23.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | D414 W416 R422 | D414-G418 PolarHBondContact O-N 3.28Å; D414-G418 VanDerWaalsContact O-N 3.14Å; W416-G418 VanDerWaalsContact C-N 3.26Å; W416-G418 PolarHBondContact O-N 3.32Å; G418-R422 WeakPolarHBondContact O-CG 3.18Å; G418-R422 PolarHBondContact O-NE 3.08Å |
| 419 | K | 66.7 | Low | 75.3 | Confident | 84 Ų | 84 | 83.6 Ų | 83.6 | 37% | 0.365 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -82.3 | -43.3 | 172.9 | -76.9 | 179 | 176.1 | 178.7 | 0 | 112.3 | E177 S415 W416 K417 R422 Q423 | E177-K419 IonicContact OE2-NZ 3.91Å; E177-K419 PolarHBondContact OE2-NZ 3.02Å; S415-K419 PolarHBondContact O-N 3.02Å; W416-K419 WeakPolarHBondContact O-CA 3.35Å; W416-K419 WeakPolarHBondContact O-CB 3.43Å; W416-K419 PolarHBondContact O-N 3.21Å; K417-K419 PolarHBondContact O-N 2.98Å; K419-R422 PolarHBondContact O-N 2.86Å; K419-Q423 WeakPolarHBondContact O-CG 3.25Å; K419-Q423 PolarHBondContact O-N 3.04Å |
| 420 | L | 68.9 | Low | 73.3 | Confident | 65 Ų | 65 | 95 Ų | 95 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 178.3 | -73.4 | 169.3 | 0 | 0 | 0 | 111.2 | W416 K417 R422 Q423 S424 | W416-L420 PolarHBondContact O-N 2.83Å; K417-L420 PolarHBondContact O-N 2.85Å; L420-R422 PolarHBondContact O-N 2.75Å; L420-Q423 PolarHBondContact O-N 3.43Å; L420-S424 WeakPolarHBondContact O-CB 3.34Å; L420-S424 PolarHBondContact O-N 3.4Å |
| 421 | L | 68.1 | Low | 72.3 | Confident | 111 Ų | 111 | 97.5 Ų | 97.5 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.1 | -48.7 | 173.4 | -73.6 | 166 | 0 | 0 | 0 | 111.5 | K417 Q423 S424 D425 | K417-L421 WeakPolarHBondContact O-CG 3.3Å; K417-L421 PolarHBondContact O-N 3.09Å; L421-Q423 VanDerWaalsContact C-N 3.28Å; L421-Q423 PolarHBondContact O-N 2.97Å; L421-S424 WeakPolarHBondContact O-CB 3.48Å; L421-S424 PolarHBondContact O-N 3.5Å; L421-D425 WeakPolarHBondContact O-CB 3.32Å; L421-D425 PolarHBondContact O-N 3.45Å |
| 422 | R | 67.1 | Low | 71.2 | Confident | 171 Ų | 171 | 96.9 Ų | 96.9 | 65% | 0.645 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.5 | -36.9 | 176.1 | -79 | -175.8 | -102.6 | -170.2 | -10.9 | 113 | G418 K419 L420 L426 | G418-R422 WeakPolarHBondContact O-CG 3.18Å; G418-R422 PolarHBondContact O-NE 3.08Å; K419-R422 PolarHBondContact O-N 2.86Å; L420-R422 PolarHBondContact O-N 2.75Å; R422-L426 WeakPolarHBondContact O-CB 3.26Å; R422-L426 WeakPolarHBondContact O-CD1 3.43Å; R422-L426 WeakPolarHBondContact O-CG 3.43Å; R422-L426 PolarHBondContact O-N 3.06Å; R422-L426 VanDerWaalsContact O-N 3.13Å |
| 423 | Q | 65.6 | Low | 70.1 | Confident | 106 Ų | 106 | 102.2 Ų | 102.2 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.3 | -41.9 | 176.3 | -76 | 179.3 | -13 | 0 | 0 | 112.1 | K419 L420 L421 L426 Q427 | K419-Q423 WeakPolarHBondContact O-CG 3.25Å; K419-Q423 PolarHBondContact O-N 3.04Å; L420-Q423 PolarHBondContact O-N 3.43Å; L421-Q423 VanDerWaalsContact C-N 3.28Å; L421-Q423 PolarHBondContact O-N 2.97Å; Q423-L426 PolarHBondContact O-N 3.17Å; Q423-Q427 WeakPolarHBondContact O-CB 3.39Å; Q423-Q427 WeakPolarHBondContact O-CG 3.49Å; Q423-Q427 PolarHBondContact O-N 3.36Å |
| 424 | S | 68.9 | Low | 69 | Low | 40 Ų | 40 | 106.7 Ų | 106.7 | 28% | 0.28 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 174.4 | -146.9 | 0 | 0 | 0 | 0 | 111.2 | L420 L421 L426 Q427 K428 E429 | L420-S424 WeakPolarHBondContact O-CB 3.34Å; L420-S424 PolarHBondContact O-N 3.4Å; L421-S424 WeakPolarHBondContact O-CB 3.48Å; L421-S424 PolarHBondContact O-N 3.5Å; S424-L426 VanDerWaalsContact C-N 3.32Å; S424-L426 PolarHBondContact O-N 2.95Å; S424-Q427 CarbonylContact O-C 3.46Å; S424-Q427 PolarHBondContact O-N 3.44Å; S424-Q427 VanDerWaalsContact O-N 3.08Å; S424-K428 PolarHBondContact O-N 3.06Å; S424-E429 PolarHBondContact O-N 3.32Å; S424-E429 PolarHBondContact OG-O 2.89Å |
| 425 | D | 67.8 | Low | 67.9 | Low | 99 Ų | 99 | 107 Ų | 107 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 177 | -68.9 | -23.8 | 0 | 0 | 0 | 111.6 | L421 Q427 K428 | L421-D425 WeakPolarHBondContact O-CB 3.32Å; L421-D425 PolarHBondContact O-N 3.45Å; D425-Q427 VanDerWaalsContact C-N 3.33Å; D425-K428 PolarHBondContact O-N 2.98Å |
| 426 | L | 68.1 | Low | 66.9 | Low | 147 Ų | 147 | 111.7 Ų | 111.7 | 77% | 0.77 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.4 | -31 | 175.8 | -74.3 | 168.8 | 0 | 0 | 0 | 112.6 | R422 Q423 S424 | R422-L426 WeakPolarHBondContact O-CB 3.26Å; R422-L426 WeakPolarHBondContact O-CD1 3.43Å; R422-L426 WeakPolarHBondContact O-CG 3.43Å; R422-L426 PolarHBondContact O-N 3.06Å; R422-L426 VanDerWaalsContact O-N 3.13Å; Q423-L426 PolarHBondContact O-N 3.17Å; S424-L426 VanDerWaalsContact C-N 3.32Å; S424-L426 PolarHBondContact O-N 2.95Å |
| 427 | Q | 72.4 | Confident | 66.4 | Low | 125 Ų | 125 | 117.2 Ų | 117.2 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -89.1 | -7.6 | 179.3 | -70.3 | 177 | -8.6 | 0 | 0 | 113.3 | Q423 S424 D425 E429 | Q423-Q427 WeakPolarHBondContact O-CB 3.39Å; Q423-Q427 WeakPolarHBondContact O-CG 3.49Å; Q423-Q427 PolarHBondContact O-N 3.36Å; S424-Q427 CarbonylContact O-C 3.46Å; S424-Q427 PolarHBondContact O-N 3.44Å; S424-Q427 VanDerWaalsContact O-N 3.08Å; D425-Q427 VanDerWaalsContact C-N 3.33Å; Q427-E429 HydrophobicContact CB-CG 4.13Å; Q427-E429 PolarHBondContact O-N 2.95Å |
| 428 | K | 66.8 | Low | 66 | Low | 167 Ų | 167 | 116.2 Ų | 116.2 | 73% | 0.726 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.3 | 27.6 | -173.7 | -57.3 | -177.7 | 177.8 | -179.4 | 0 | 113.5 | S424 D425 F430 | S424-K428 PolarHBondContact O-N 3.06Å; D425-K428 PolarHBondContact O-N 2.98Å; K428-F430 HydrophobicContact CB-CE2 4.41Å; K428-F430 PolarHBondContact O-N 3.4Å |
| 429 | E | 56.6 | Low | 66 | Low | 127 Ų | 127 | 123.8 Ų | 123.8 | 59% | 0.593 | 58% | 0.582 | S | S | * | * | trans | -86.6 | 105.9 | 170.7 | -64.8 | -175 | 173.2 | 0 | 0 | 106.2 | S424 Q427 | S424-E429 PolarHBondContact O-N 3.32Å; S424-E429 PolarHBondContact OG-O 2.89Å; Q427-E429 HydrophobicContact CB-CG 4.13Å; Q427-E429 PolarHBondContact O-N 2.95Å | ||
| 430 | F | 55.2 | Low | 65.9 | Low | 244 Ų | 244 | 127.5 Ų | 127.5 | 100% | 1.07 | 60% | 0.601 | S | S | * | * | trans | -103.9 | 0 | 179 | -70.9 | -78 | 0 | 0 | 0 | 111.2 | K428 | K428-F430 HydrophobicContact CB-CE2 4.41Å; K428-F430 PolarHBondContact O-N 3.4Å |
Retrieved 430 of 430 residues in 486.1 ms
(Link to these results)