| 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 | 45.6 | Very low | 75.8 | Confident | 157 Ų | 157 | 83.2 Ų | 83.2 | 77% | 0.773 | 46% | 0.458 | S | S | * | . | 0 | 114.8 | 0 | -72.6 | 177 | -169.9 | 0 | 0 | 106.1 | Q68 I71 | M1-Q68 HydrophobicContact CE-CG 4.15Å; M1-Q68 HydrophobicContact SD-CG 4.11Å; M1-I71 HydrophobicContact SD-CD1 4.32Å | |||
| 2 | E | 46 | Very low | 77.1 | Confident | 111 Ų | 111 | 87.2 Ų | 87.2 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | trans | -66.8 | 160.8 | 176.9 | -60.2 | 173.3 | 118.3 | 0 | 0 | 110.4 | L4 | E2-L4 PolarHBondContact O-N 2.73Š| ||
| 3 | S | 59.4 | Low | 78.3 | Confident | 84 Ų | 84 | 85.4 Ų | 85.4 | 59% | 0.587 | 45% | 0.451 | S | S | * | . | trans | -64.7 | 118.8 | 171.4 | 39.4 | 0 | 0 | 0 | 0 | 109.8 | T5 N91 | S3-T5 PolarHBondContact O-N 3.37Å; S3-N91 PolarHBondContact O-ND2 2.74Å | ||
| 4 | L | 78.6 | Confident | 79.4 | Confident | 35 Ų | 35 | 79.4 Ų | 79.4 | 18% | 0.183 | 42% | 0.419 | C | S | . | . | trans | -72.4 | 112.8 | 175 | -175.4 | 70.4 | 0 | 0 | 0 | 108.6 | E2 L6 I71 K74 L90 | E2-L4 PolarHBondContact O-N 2.73Å; L4-L6 HydrophobicContact CD2-CD1 4.12Å; L4-L6 HydrophobicContact CD2-CD2 3.79Å; L4-L6 HydrophobicContact CD2-CG 4.07Å; L4-L6 HydrophobicContact CG-CD2 3.88Å; L4-L6 HydrophobicContact CG-CG 4.07Å; L4-I71 HydrophobicContact CB-CG1 4.4Å; L4-I71 HydrophobicContact CD1-CG1 4.34Å; L4-I71 HydrophobicContact CD2-CG1 3.99Å; L4-I71 HydrophobicContact CG-CG1 4.5Å; L4-K74 HydrophobicContact CD1-CD 3.78Å; L4-K74 HydrophobicContact CG-CD 4.43Å; L4-L90 HydrophobicContact CD1-CB 3.82Å; L4-L90 HydrophobicContact CD1-CD1 4.19Å; L4-L90 HydrophobicContact CD1-CD2 4.04Å; L4-L90 HydrophobicContact CD1-CG 4.26Å | ||
| 5 | T | 80.2 | Confident | 80.2 | Confident | 81 Ų | 81 | 76.1 Ų | 76.1 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | trans | -78.5 | 129.7 | 173.7 | 55.5 | 0 | 0 | 0 | 0 | 109.1 | S3 K74 N91 | S3-T5 PolarHBondContact O-N 3.37Å; T5-K74 PolarHBondContact O-NZ 3.27Å; T5-N91 PolarHBondContact N-OD1 2.85Å; T5-N91 VanDerWaalsContact OG1-CG 3.3Å; T5-N91 PolarHBondContact OG1-OD1 3.39Å | ||
| 6 | L | 83.6 | Confident | 81 | Confident | 42 Ų | 42 | 78 Ų | 78 | 22% | 0.22 | 41% | 0.411 | C | S | . | . | trans | -131.8 | 137.7 | -177.7 | -65.5 | -179.4 | 0 | 0 | 0 | 109 | L4 E10 Q11 Y14 Y70 K74 | L4-L6 HydrophobicContact CD2-CD1 4.12Å; L4-L6 HydrophobicContact CD2-CD2 3.79Å; L4-L6 HydrophobicContact CD2-CG 4.07Å; L4-L6 HydrophobicContact CG-CD2 3.88Å; L4-L6 HydrophobicContact CG-CG 4.07Å; L6-E10 HydrophobicContact CB-CB 4.24Å; L6-E10 HydrophobicContact CD2-CB 4.1Å; L6-Q11 HydrophobicContact CB-CB 4.3Å; L6-Y14 HydrophobicContact CD1-CD2 3.89Å; L6-Y14 HydrophobicContact CD1-CE2 4.37Å; L6-Y14 HydrophobicContact CD2-CD2 3.93Å; L6-Y14 HydrophobicContact CD2-CE2 3.53Å; L6-Y70 HydrophobicContact CD1-CD2 3.63Å; L6-Y70 HydrophobicContact CD1-CE2 4.23Å; L6-Y70 HydrophobicContact CD1-CG 4.28Å; L6-K74 HydrophobicContact CD2-CD 4.02Å | ||
| 7 | S | 86.5 | Confident | 81.6 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | trans | -67.5 | 157.7 | 165 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | V9 E10 Q11 | S7-V9 PolarHBondContact O-N 2.96Å; S7-V9 VanDerWaalsContact O-N 3.13Å; S7-E10 PolarHBondContact N-OE2 3.35Å; S7-E10 PolarHBondContact O-N 3.18Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 VanDerWaalsContact OG-CG 3.3Å; S7-E10 WeakPolarHBondContact OG-CG 3.48Å; S7-E10 PolarHBondContact OG-N 3.11Å; S7-E10 PolarHBondContact OG-OE2 3.26Å; S7-Q11 WeakPolarHBondContact O-CB 3.46Å; S7-Q11 PolarHBondContact O-N 3.14Å | ||
| 8 | D | 85.6 | Confident | 82.2 | Confident | 144 Ų | 144 | 70.8 Ų | 70.8 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -55.6 | -33.3 | 177 | -56.2 | -78.4 | 0 | 0 | 0 | 112.7 | K12 | D8-K12 VanDerWaalsContact O-CB 3.26Å; D8-K12 WeakPolarHBondContact O-CB 3.48Å; D8-K12 PolarHBondContact O-N 2.91Å |
| 9 | V | 88.2 | Confident | 82.6 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.2 | -47.5 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 111 | S7 Y13 L98 | S7-V9 PolarHBondContact O-N 2.96Å; S7-V9 VanDerWaalsContact O-N 3.13Å; V9-Y13 VanDerWaalsContact O-CB 3.29Å; V9-Y13 WeakPolarHBondContact O-CB 3.43Å; V9-Y13 PolarHBondContact O-N 3.38Å; V9-L98 HydrophobicContact CG1-CD1 4.14Å |
| 10 | E | 90.3 | Very high | 82.9 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 8% | 0.075 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 173.5 | -73 | 174 | 98.2 | 0 | 0 | 111.8 | L6 S7 K12 Y13 Y14 K74 L98 | L6-E10 HydrophobicContact CB-CB 4.24Å; L6-E10 HydrophobicContact CD2-CB 4.1Å; S7-E10 PolarHBondContact N-OE2 3.35Å; S7-E10 PolarHBondContact O-N 3.18Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 VanDerWaalsContact OG-CG 3.3Å; S7-E10 WeakPolarHBondContact OG-CG 3.48Å; S7-E10 PolarHBondContact OG-N 3.11Å; S7-E10 PolarHBondContact OG-OE2 3.26Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 2.95Å; E10-Y13 PolarHBondContact O-N 2.74Å; E10-Y13 VanDerWaalsContact O-N 3.17Å; E10-Y14 HydrophobicContact CB-CD2 4.22Å; E10-Y14 HydrophobicContact CB-CE2 3.79Å; E10-Y14 HydrophobicContact CG-CE2 4.16Å; E10-Y14 VanDerWaalsContact O-CB 3.28Å; E10-Y14 WeakPolarHBondContact O-CB 3.46Å; E10-Y14 PolarHBondContact O-N 2.79Å; E10-Y14 PolarHBondContact OE1-OH 3.2Å; E10-K74 WeakPolarHBondContact OE1-CE 3.33Å; E10-K74 IonicContact OE1-NZ 3Å; E10-L98 HydrophobicContact CG-CD2 3.78Å |
| 11 | Q | 90.4 | Very high | 83.1 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.7 | -44.5 | -178.9 | 177.5 | 70 | -28.3 | 0 | 0 | 110.8 | L6 S7 S15 | L6-Q11 HydrophobicContact CB-CB 4.3Å; S7-Q11 WeakPolarHBondContact O-CB 3.46Å; S7-Q11 PolarHBondContact O-N 3.14Å; Q11-S15 VanDerWaalsContact O-CB 3.23Å; Q11-S15 WeakPolarHBondContact O-CB 3.24Å; Q11-S15 PolarHBondContact O-N 3.48Å; Q11-S15 PolarHBondContact O-OG 3.07Å |
| 12 | K | 90.7 | Very high | 85.1 | Confident | 131 Ų | 131 | 62.3 Ų | 62.3 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.2 | -55 | 173 | -178.5 | 173.2 | 175.9 | 175.7 | 0 | 111.5 | D8 E10 Y14 S15 E16 | D8-K12 VanDerWaalsContact O-CB 3.26Å; D8-K12 WeakPolarHBondContact O-CB 3.48Å; D8-K12 PolarHBondContact O-N 2.91Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 2.95Å; K12-Y14 PolarHBondContact O-N 3.37Å; K12-S15 WeakPolarHBondContact O-CB 3.08Å; K12-S15 PolarHBondContact O-N 3.39Å; K12-S15 VanDerWaalsContact O-N 3.08Å; K12-S15 PolarHBondContact O-OG 3.06Å; K12-E16 WeakPolarHBondContact CE-OE1 3.22Å; K12-E16 IonicContact NZ-OE1 3.2Å; K12-E16 PolarHBondContact O-N 3.44Å |
| 13 | Y | 92.6 | Very high | 86.8 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | -175.9 | -177.2 | -122.4 | 0 | 0 | 0 | 112.9 | V9 E10 S15 E16 L17 L98 P99 F101 | V9-Y13 VanDerWaalsContact O-CB 3.29Å; V9-Y13 WeakPolarHBondContact O-CB 3.43Å; V9-Y13 PolarHBondContact O-N 3.38Å; E10-Y13 PolarHBondContact O-N 2.74Å; E10-Y13 VanDerWaalsContact O-N 3.17Å; Y13-S15 VanDerWaalsContact C-N 3.31Å; Y13-S15 PolarHBondContact O-N 2.87Å; Y13-E16 PolarHBondContact O-N 3.03Å; Y13-L17 HydrophobicContact CD1-CD1 4.13Å; Y13-L17 HydrophobicContact CE1-CD1 3.71Å; Y13-L17 HydrophobicContact CE2-CD1 4.25Å; Y13-L17 HydrophobicContact CE2-CG 4.42Å; Y13-L17 WeakPolarHBondContact O-CG 3.3Å; Y13-L17 PolarHBondContact O-N 3.49Å; Y13-L98 HydrophobicContact CD1-CB 4.19Å; Y13-L98 HydrophobicContact CD1-CD1 4.09Å; Y13-L98 HydrophobicContact CD1-CD2 4.02Å; Y13-L98 HydrophobicContact CD1-CG 4.33Å; Y13-L98 HydrophobicContact CE1-CB 4.11Å; Y13-L98 HydrophobicContact CG-CD1 4.21Å; Y13-P99 HydrophobicContact CE1-CG 4.09Å; Y13-P99 PolarHBondContact OH-O 3.24Å; Y13-F101 HydrophobicContact CE1-CE2 4.49Å; Y13-F101 WeakPolarHBondContact OH-CD2 3.42Å |
| 14 | Y | 93.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.3 | -31.4 | 177.1 | -60 | -9.8 | 0 | 0 | 0 | 111.4 | L6 E10 K12 F18 Y70 L73 K74 P99 | L6-Y14 HydrophobicContact CD1-CD2 3.89Å; L6-Y14 HydrophobicContact CD1-CE2 4.37Å; L6-Y14 HydrophobicContact CD2-CD2 3.93Å; L6-Y14 HydrophobicContact CD2-CE2 3.53Å; E10-Y14 HydrophobicContact CB-CD2 4.22Å; E10-Y14 HydrophobicContact CB-CE2 3.79Å; E10-Y14 HydrophobicContact CG-CE2 4.16Å; E10-Y14 VanDerWaalsContact O-CB 3.28Å; E10-Y14 WeakPolarHBondContact O-CB 3.46Å; E10-Y14 PolarHBondContact O-N 2.79Å; E10-Y14 PolarHBondContact OE1-OH 3.2Å; K12-Y14 PolarHBondContact O-N 3.37Å; Y14-F18 WeakPolarHBondContact O-CB 3.46Å; Y14-F18 PolarHBondContact O-N 2.76Å; Y14-Y70 HydrophobicContact CD2-CG 4.38Å; Y14-Y70 WeakPolarHBondContact O-CE1 3.42Å; Y14-L73 HydrophobicContact CD1-CB 3.92Å; Y14-L73 HydrophobicContact CD1-CD1 3.56Å; Y14-L73 HydrophobicContact CD1-CG 4.36Å; Y14-L73 HydrophobicContact CD2-CB 4.38Å; Y14-L73 HydrophobicContact CE1-CB 3.94Å; Y14-L73 HydrophobicContact CE1-CD1 4.39Å; Y14-L73 HydrophobicContact CE2-CB 4.41Å; Y14-L73 HydrophobicContact CG-CB 4.18Å; Y14-L73 HydrophobicContact CG-CD1 3.67Å; Y14-K74 HydrophobicContact CE2-CB 4.35Å; Y14-P99 HydrophobicContact CE1-CG 3.79Å |
| 15 | S | 91.8 | Very high | 87.9 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 21% | 0.21 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 173.4 | 80.1 | 0 | 0 | 0 | 0 | 113 | Q11 K12 Y13 F18 V19 Y70 | Q11-S15 VanDerWaalsContact O-CB 3.23Å; Q11-S15 WeakPolarHBondContact O-CB 3.24Å; Q11-S15 PolarHBondContact O-N 3.48Å; Q11-S15 PolarHBondContact O-OG 3.07Å; K12-S15 WeakPolarHBondContact O-CB 3.08Å; K12-S15 PolarHBondContact O-N 3.39Å; K12-S15 VanDerWaalsContact O-N 3.08Å; K12-S15 PolarHBondContact O-OG 3.06Å; Y13-S15 VanDerWaalsContact C-N 3.31Å; Y13-S15 PolarHBondContact O-N 2.87Å; S15-F18 PolarHBondContact O-N 3.14Å; S15-V19 WeakPolarHBondContact O-CG2 3.5Å; S15-V19 PolarHBondContact O-N 3Å; S15-Y70 VanDerWaalsContact CA-OH 3.26Å; S15-Y70 WeakPolarHBondContact CA-OH 3.1Å; S15-Y70 VanDerWaalsContact CB-OH 3.29Å; S15-Y70 WeakPolarHBondContact CB-OH 3.41Å; S15-Y70 PolarHBondContact N-OH 2.61Å |
| 16 | E | 92.8 | Very high | 87.9 | Confident | 107 Ų | 107 | 67.9 Ų | 67.9 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.5 | -70 | 175.4 | -170.3 | 0 | 0 | 110.6 | K12 Y13 F18 V19 Y20 | K12-E16 WeakPolarHBondContact CE-OE1 3.22Å; K12-E16 IonicContact NZ-OE1 3.2Å; K12-E16 PolarHBondContact O-N 3.44Å; Y13-E16 PolarHBondContact O-N 3.03Å; E16-F18 PolarHBondContact O-N 3.49Å; E16-V19 PolarHBondContact O-N 2.64Å; E16-Y20 PolarHBondContact O-N 3.39Å |
| 17 | L | 91.6 | Very high | 87.8 | Confident | 21 Ų | 21 | 74 Ų | 74 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 173.7 | -70.8 | 175.9 | 0 | 0 | 0 | 113.1 | Y13 Y20 C21 L38 F69 L73 F101 | Y13-L17 HydrophobicContact CD1-CD1 4.13Å; Y13-L17 HydrophobicContact CE1-CD1 3.71Å; Y13-L17 HydrophobicContact CE2-CD1 4.25Å; Y13-L17 HydrophobicContact CE2-CG 4.42Å; Y13-L17 WeakPolarHBondContact O-CG 3.3Å; Y13-L17 PolarHBondContact O-N 3.49Å; L17-Y20 PolarHBondContact O-N 3.02Å; L17-C21 PolarHBondContact O-N 3.18Å; L17-L38 HydrophobicContact CD2-CD1 4.1Å; L17-L38 HydrophobicContact CD2-CD2 4.45Å; L17-F69 HydrophobicContact CB-CE1 4.06Å; L17-F69 HydrophobicContact CB-CZ 4.34Å; L17-L73 HydrophobicContact CB-CD1 4.16Å; L17-L73 HydrophobicContact CD1-CD1 3.92Å; L17-L73 HydrophobicContact CD1-CD2 3.98Å; L17-F101 HydrophobicContact CD1-CD2 4.39Å; L17-F101 HydrophobicContact CD1-CE2 3.68Å; L17-F101 HydrophobicContact CD1-CZ 4.35Å |
| 18 | F | 91.2 | Very high | 87.7 | Confident | 5 Ų | 5 | 76.3 Ų | 76.3 | 2% | 0.022 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 176.4 | -175.8 | -86 | 0 | 0 | 0 | 111.2 | Y14 S15 E16 Y20 C21 D22 V29 R66 F69 Y70 | Y14-F18 WeakPolarHBondContact O-CB 3.46Å; Y14-F18 PolarHBondContact O-N 2.76Å; S15-F18 PolarHBondContact O-N 3.14Å; E16-F18 PolarHBondContact O-N 3.49Å; F18-Y20 VanDerWaalsContact C-N 3.3Å; F18-Y20 PolarHBondContact O-N 2.87Å; F18-C21 CarbonylContact O-C 3.51Å; F18-C21 PolarHBondContact O-N 3.02Å; F18-D22 HydrophobicContact CD1-CB 4.23Å; F18-D22 HydrophobicContact CE1-CB 3.83Å; F18-D22 HydrophobicContact CZ-CB 4.39Å; F18-D22 PolarHBondContact O-N 3.23Å; F18-V29 HydrophobicContact CD2-CG1 4.09Å; F18-V29 HydrophobicContact CD2-CG2 4.43Å; F18-V29 HydrophobicContact CE1-CG1 4.44Å; F18-V29 HydrophobicContact CE2-CG1 3.75Å; F18-V29 HydrophobicContact CE2-CG2 4.08Å; F18-V29 HydrophobicContact CZ-CG1 3.95Å; F18-R66 HydrophobicContact CD1-CG 4.44Å; F18-R66 VanDerWaalsContact CD1-NH1 3.29Å; F18-R66 HydrophobicContact CD2-CB 4.3Å; F18-R66 HydrophobicContact CD2-CG 4.17Å; F18-R66 VanDerWaalsContact CE2-CA 3.44Å; F18-R66 HydrophobicContact CE2-CB 3.92Å; F18-R66 HydrophobicContact CE2-CG 4.26Å; F18-R66 HydrophobicContact CG-CG 4.26Å; F18-R66 HydrophobicContact CZ-CB 4.03Å; F18-R66 HydrophobicContact CZ-CG 4.42Å; F18-F69 HydrophobicContact CB-CD1 3.86Å; F18-F69 HydrophobicContact CB-CE1 3.87Å; F18-F69 HydrophobicContact CD2-CB 3.87Å; F18-F69 AromaticContact CD2-CD1 3.62Å; F18-F69 HydrophobicContact CD2-CD1 3.62Å; F18-F69 HydrophobicContact CD2-CE1 4.28Å; F18-F69 AromaticContact CD2-CG 3.85Å; F18-F69 HydrophobicContact CD2-CG 3.85Å; F18-F69 HydrophobicContact CE2-CB 4.22Å; F18-F69 HydrophobicContact CG-CD1 4.25Å; F18-Y70 HydrophobicContact CB-CE1 4.12Å |
| 19 | V | 90.1 | Very high | 87.8 | Confident | 90 Ų | 90 | 69.5 Ų | 69.5 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -33.5 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | S15 E16 C21 | S15-V19 WeakPolarHBondContact O-CG2 3.5Å; S15-V19 PolarHBondContact O-N 3Å; E16-V19 PolarHBondContact O-N 2.64Å; V19-C21 PolarHBondContact O-N 3.03Å |
| 20 | Y | 89.6 | Confident | 87.6 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -26.4 | 171.8 | -179.3 | -117.1 | 0 | 0 | 0 | 113.7 | E16 L17 F18 R34 E107 | E16-Y20 PolarHBondContact O-N 3.39Å; L17-Y20 PolarHBondContact O-N 3.02Å; F18-Y20 VanDerWaalsContact C-N 3.3Å; F18-Y20 PolarHBondContact O-N 2.87Å; Y20-R34 PolarHBondContact OH-NH1 3.07Å; Y20-E107 PolarHBondContact OH-OE2 3.35Å |
| 21 | C | 87.6 | Confident | 87.2 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -97.8 | -22.6 | 178.7 | -71.9 | 0 | 0 | 0 | 0 | 114.5 | L17 F18 V19 T23 V29 R34 V35 F69 | L17-C21 PolarHBondContact O-N 3.18Å; F18-C21 CarbonylContact O-C 3.51Å; F18-C21 PolarHBondContact O-N 3.02Å; V19-C21 PolarHBondContact O-N 3.03Å; C21-T23 PolarHBondContact O-N 3.01Å; C21-V29 VanDerWaalsContact C-CG1 3.48Å; C21-V29 HydrophobicContact CB-CB 4.05Å; C21-V29 HydrophobicContact CB-CG1 3.65Å; C21-R34 HydrophobicContact CB-CB 4.41Å; C21-V35 HydrophobicContact CB-CG2 3.87Å; C21-F69 HydrophobicContact CB-CZ 4.41Å |
| 22 | D | 87.4 | Confident | 86.7 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.059 | 36% | 0.357 | C | S | . | . | trans | -93.2 | 61.3 | 178 | -167.1 | 11.4 | 0 | 0 | 0 | 111.1 | F18 D24 N25 T26 K27 V29 | F18-D22 HydrophobicContact CD1-CB 4.23Å; F18-D22 HydrophobicContact CE1-CB 3.83Å; F18-D22 HydrophobicContact CZ-CB 4.39Å; F18-D22 PolarHBondContact O-N 3.23Å; D22-D24 PolarHBondContact O-N 3.46Å; D22-N25 PolarHBondContact O-N 3.06Å; D22-N25 PolarHBondContact OD1-N 3.02Å; D22-T26 PolarHBondContact OD1-N 2.87Å; D22-T26 PolarHBondContact OD1-OG1 3.49Å; D22-T26 VanDerWaalsContact OD1-OG1 3.11Å; D22-T26 PolarHBondContact OD2-N 3.12Å; D22-K27 WeakPolarHBondContact OD2-CA 3.44Å; D22-K27 PolarHBondContact OD2-N 3.17Å; D22-V29 HydrophobicContact CB-CG1 3.69Å | ||
| 23 | T | 81.4 | Confident | 86.5 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 55% | 0.546 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.6 | -177.9 | 40.5 | 0 | 0 | 0 | 0 | 114.3 | C21 | C21-T23 PolarHBondContact O-N 3.01Š|
| 24 | D | 79.8 | Confident | 86.2 | Confident | 125 Ų | 125 | 67.3 Ų | 67.3 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 5.5 | -172.8 | -58.8 | -95.1 | 0 | 0 | 0 | 112.1 | D22 T26 | D22-D24 PolarHBondContact O-N 3.46Å; D24-T26 HydrophobicContact CB-CG2 3.74Å; D24-T26 PolarHBondContact O-N 3.02Å; D24-T26 VanDerWaalsContact O-N 3.16Å |
| 25 | N | 80.7 | Confident | 86 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 69% | 0.69 | 36% | 0.36 | S | S | * | . | trans | 51.4 | 32.4 | -178.6 | -69.8 | -44 | 0 | 0 | 0 | 114.3 | D22 K27 | D22-N25 PolarHBondContact O-N 3.06Å; D22-N25 PolarHBondContact OD1-N 3.02Å; N25-K27 PolarHBondContact O-N 2.87Å | ||
| 26 | T | 79.6 | Confident | 85.8 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 52% | 0.515 | 37% | 0.369 | S | S | . | . | trans | -80 | -3.7 | -174.9 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | D22 D24 K28 | D22-T26 PolarHBondContact OD1-N 2.87Å; D22-T26 PolarHBondContact OD1-OG1 3.49Å; D22-T26 VanDerWaalsContact OD1-OG1 3.11Å; D22-T26 PolarHBondContact OD2-N 3.12Å; D24-T26 HydrophobicContact CB-CG2 3.74Å; D24-T26 PolarHBondContact O-N 3.02Å; D24-T26 VanDerWaalsContact O-N 3.16Å; T26-K28 PolarHBondContact O-N 3.45Å; T26-K28 PolarHBondContact OG1-N 3.46Å; T26-K28 PolarHBondContact OG1-O 3.25Å | ||
| 27 | K | 82.6 | Confident | 85.6 | Confident | 172 Ų | 172 | 68.5 Ų | 68.5 | 75% | 0.748 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 62.2 | 21.3 | -169.9 | -51.6 | -172 | 178.8 | -170.2 | 0 | 112.9 | D22 N25 | D22-K27 WeakPolarHBondContact OD2-CA 3.44Å; D22-K27 PolarHBondContact OD2-N 3.17Å; N25-K27 PolarHBondContact O-N 2.87Å |
| 28 | K | 84.3 | Confident | 85.6 | Confident | 105 Ų | 105 | 68.2 Ų | 68.2 | 46% | 0.457 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 136.1 | -177.5 | -67.7 | -180 | 167.4 | -150.2 | 0 | 109.3 | T26 H63 F64 | T26-K28 PolarHBondContact O-N 3.45Å; T26-K28 PolarHBondContact OG1-N 3.46Å; T26-K28 PolarHBondContact OG1-O 3.25Å; K28-H63 PolarHBondContact NZ-NE2 2.92Å; K28-F64 WeakPolarHBondContact CA-O 3.34Å |
| 29 | V | 87.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.5 | 175.9 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | F18 C21 D22 V35 H63 F64 F69 | F18-V29 HydrophobicContact CD2-CG1 4.09Å; F18-V29 HydrophobicContact CD2-CG2 4.43Å; F18-V29 HydrophobicContact CE1-CG1 4.44Å; F18-V29 HydrophobicContact CE2-CG1 3.75Å; F18-V29 HydrophobicContact CE2-CG2 4.08Å; F18-V29 HydrophobicContact CZ-CG1 3.95Å; C21-V29 VanDerWaalsContact C-CG1 3.48Å; C21-V29 HydrophobicContact CB-CB 4.05Å; C21-V29 HydrophobicContact CB-CG1 3.65Å; D22-V29 HydrophobicContact CB-CG1 3.69Å; V29-V35 HydrophobicContact CB-CG2 3.69Å; V29-V35 HydrophobicContact CG2-CG2 3.64Å; V29-H63 CarbonylContact O-C 3.59Å; V29-H63 VanDerWaalsContact O-CA 3.28Å; V29-H63 WeakPolarHBondContact O-CA 3.49Å; V29-H63 WeakPolarHBondContact O-CB 3.23Å; V29-F64 HydrophobicContact CG2-CB 3.84Å; V29-F64 HydrophobicContact CG2-CD2 4.4Å; V29-F64 PolarHBondContact N-O 3.18Å; V29-F64 PolarHBondContact O-N 3.41Å; V29-F69 HydrophobicContact CG2-CB 4.35Å; V29-F69 HydrophobicContact CG2-CD2 3.61Å; V29-F69 HydrophobicContact CG2-CE2 4.11Å; V29-F69 HydrophobicContact CG2-CG 4.14Å |
| 30 | A | 84.9 | Confident | 85.6 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 146.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | N32 V35 | A30-N32 WeakPolarHBondContact CB-OD1 3.5Å; A30-N32 PolarHBondContact O-N 3.25Å; A30-V35 WeakPolarHBondContact O-CB 3.44Å; A30-V35 VanDerWaalsContact O-CG2 3.23Å; A30-V35 WeakPolarHBondContact O-CG2 3.2Å |
| 31 | S | 81.6 | Confident | 85.7 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 26% | 0.259 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -77.8 | 13.7 | -176.7 | 65.8 | 0 | 0 | 0 | 0 | 114 | G62 | S31-G62 PolarHBondContact N-O 2.94Å; S31-G62 PolarHBondContact OG-O 2.97Å |
| 32 | N | 78.9 | Confident | 86 | Confident | 106 Ų | 106 | 68.3 Ų | 68.3 | 57% | 0.567 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -130.3 | 176.7 | 179.4 | 60.4 | -1.4 | 0 | 0 | 0 | 110.2 | A30 R34 | A30-N32 WeakPolarHBondContact CB-OD1 3.5Å; A30-N32 PolarHBondContact O-N 3.25Å; N32-R34 PolarHBondContact O-N 3.21Å |
| 33 | G | 86.3 | Confident | 86.2 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | -127 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V35 L36 D37 | G33-V35 VanDerWaalsContact C-N 3.25Å; G33-V35 PolarHBondContact O-N 2.89Å; G33-V35 VanDerWaalsContact O-N 3.08Å; G33-L36 WeakPolarHBondContact O-CA 3.37Å; G33-L36 WeakPolarHBondContact O-CB 3.18Å; G33-L36 PolarHBondContact O-N 3.18Å; G33-D37 PolarHBondContact O-N 3.48Å |
| 34 | R | 85.9 | Confident | 86.6 | Confident | 123 Ų | 123 | 71.6 Ų | 71.6 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -47.4 | -41.7 | -174.6 | -68.4 | -73.2 | -175.5 | 166.9 | 0.7 | 114.1 | Y20 C21 N32 L38 | Y20-R34 PolarHBondContact OH-NH1 3.07Å; C21-R34 HydrophobicContact CB-CB 4.41Å; N32-R34 PolarHBondContact O-N 3.21Å; R34-L38 WeakPolarHBondContact O-CB 3.4Å; R34-L38 PolarHBondContact O-N 3.37Å |
| 35 | V | 89.8 | Confident | 87.2 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.8 | -40.7 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | C21 V29 A30 G33 D37 L38 F39 F64 F69 | C21-V35 HydrophobicContact CB-CG2 3.87Å; V29-V35 HydrophobicContact CB-CG2 3.69Å; V29-V35 HydrophobicContact CG2-CG2 3.64Å; A30-V35 WeakPolarHBondContact O-CB 3.44Å; A30-V35 VanDerWaalsContact O-CG2 3.23Å; A30-V35 WeakPolarHBondContact O-CG2 3.2Å; G33-V35 VanDerWaalsContact C-N 3.25Å; G33-V35 PolarHBondContact O-N 2.89Å; G33-V35 VanDerWaalsContact O-N 3.08Å; V35-D37 VanDerWaalsContact C-N 3.34Å; V35-L38 PolarHBondContact O-N 3.49Å; V35-F39 HydrophobicContact CG1-CD1 4.18Å; V35-F39 HydrophobicContact CG1-CD2 4.36Å; V35-F39 HydrophobicContact CG1-CE1 3.79Å; V35-F39 HydrophobicContact CG1-CE2 4.01Å; V35-F39 HydrophobicContact CG1-CG 4.45Å; V35-F39 HydrophobicContact CG1-CZ 3.68Å; V35-F39 WeakPolarHBondContact O-CB 3.48Å; V35-F39 VanDerWaalsContact O-CD1 3.3Å; V35-F39 WeakPolarHBondContact O-CD1 3.25Å; V35-F39 VanDerWaalsContact O-CG 3.31Å; V35-F39 WeakPolarHBondContact O-CG 3.43Å; V35-F39 PolarHBondContact O-N 3.39Å; V35-F64 HydrophobicContact CG1-CD2 4.03Å; V35-F64 HydrophobicContact CG1-CE2 3.68Å; V35-F64 HydrophobicContact CG1-CZ 4.43Å; V35-F69 HydrophobicContact CG1-CD2 4.4Å; V35-F69 HydrophobicContact CG1-CE2 4.1Å; V35-F69 HydrophobicContact CG2-CE2 4.11Å |
| 36 | L | 88.1 | Confident | 87.5 | Confident | 75 Ų | 75 | 68.3 Ų | 68.3 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 176.9 | -179.8 | 63.3 | 0 | 0 | 0 | 111.5 | G33 F39 R40 | G33-L36 WeakPolarHBondContact O-CA 3.37Å; G33-L36 WeakPolarHBondContact O-CB 3.18Å; G33-L36 PolarHBondContact O-N 3.18Å; L36-F39 PolarHBondContact O-N 2.99Å; L36-R40 VanDerWaalsContact O-CB 3.3Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.28Å |
| 37 | D | 89.1 | Confident | 88 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.3 | -36 | 176.6 | -65.4 | -39 | 0 | 0 | 0 | 112.2 | G33 V35 R40 A41 | G33-D37 PolarHBondContact O-N 3.48Å; V35-D37 VanDerWaalsContact C-N 3.34Å; D37-R40 PolarHBondContact O-N 3.11Å; D37-R40 IonicContact OD1-NE 2.79Å; D37-R40 IonicContact OD1-NH2 2.7Å; D37-A41 WeakPolarHBondContact O-CB 3.44Å; D37-A41 PolarHBondContact O-N 2.98Å |
| 38 | L | 92.5 | Very high | 88.4 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 168.6 | -177.8 | 66.9 | 0 | 0 | 0 | 111.1 | L17 R34 V35 R40 A41 A42 F69 L73 F101 | L17-L38 HydrophobicContact CD2-CD1 4.1Å; L17-L38 HydrophobicContact CD2-CD2 4.45Å; R34-L38 WeakPolarHBondContact O-CB 3.4Å; R34-L38 PolarHBondContact O-N 3.37Å; V35-L38 PolarHBondContact O-N 3.49Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 2.82Å; L38-A41 CarbonylContact O-C 3.57Å; L38-A41 WeakPolarHBondContact O-CB 3.19Å; L38-A41 PolarHBondContact O-N 3.43Å; L38-A41 VanDerWaalsContact O-N 3.12Å; L38-A42 PolarHBondContact O-N 3.37Å; L38-F69 HydrophobicContact CD2-CE2 4.2Å; L38-F69 HydrophobicContact CD2-CZ 3.74Å; L38-L73 HydrophobicContact CD2-CD2 4.36Å; L38-F101 HydrophobicContact CD1-CB 4.42Å; L38-F101 HydrophobicContact CD1-CD1 3.47Å; L38-F101 VanDerWaalsContact CD1-CD1 3.47Å; L38-F101 HydrophobicContact CD1-CD2 4.03Å; L38-F101 HydrophobicContact CD1-CE1 3.62Å; L38-F101 HydrophobicContact CD1-CE2 4.17Å; L38-F101 HydrophobicContact CD1-CG 3.68Å; L38-F101 HydrophobicContact CD1-CZ 3.98Å; L38-F101 HydrophobicContact CD2-CE1 4.5Å; L38-F101 HydrophobicContact CD2-CZ 4.5Å; L38-F101 HydrophobicContact CG-CD1 3.96Å; L38-F101 HydrophobicContact CG-CE1 3.65Å; L38-F101 HydrophobicContact CG-CZ 4.09Å; L38-F101 WeakPolarHBondContact O-CD1 3.3Å; L38-F101 WeakPolarHBondContact O-CE1 3.22Å |
| 39 | F | 91.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70 | -28.8 | 180 | -70.2 | 11.7 | 0 | 0 | 0 | 112 | V35 L36 A42 V49 F64 F69 A72 I76 | V35-F39 HydrophobicContact CG1-CD1 4.18Å; V35-F39 HydrophobicContact CG1-CD2 4.36Å; V35-F39 HydrophobicContact CG1-CE1 3.79Å; V35-F39 HydrophobicContact CG1-CE2 4.01Å; V35-F39 HydrophobicContact CG1-CG 4.45Å; V35-F39 HydrophobicContact CG1-CZ 3.68Å; V35-F39 WeakPolarHBondContact O-CB 3.48Å; V35-F39 VanDerWaalsContact O-CD1 3.3Å; V35-F39 WeakPolarHBondContact O-CD1 3.25Å; V35-F39 VanDerWaalsContact O-CG 3.31Å; V35-F39 WeakPolarHBondContact O-CG 3.43Å; V35-F39 PolarHBondContact O-N 3.39Å; L36-F39 PolarHBondContact O-N 2.99Å; F39-A42 VanDerWaalsContact O-CB 3.27Å; F39-A42 WeakPolarHBondContact O-CB 3.47Å; F39-A42 PolarHBondContact O-N 2.73Å; F39-V49 HydrophobicContact CB-CG1 3.83Å; F39-V49 HydrophobicContact CD2-CG1 4Å; F39-V49 HydrophobicContact CG-CG1 4.44Å; F39-F64 HydrophobicContact CE2-CE1 4.21Å; F39-F64 HydrophobicContact CE2-CE2 4.25Å; F39-F64 AromaticContact CE2-CZ 3.61Å; F39-F64 HydrophobicContact CE2-CZ 3.61Å; F39-F64 HydrophobicContact CZ-CE1 4.31Å; F39-F64 HydrophobicContact CZ-CE2 4.45Å; F39-F64 AromaticContact CZ-CZ 3.99Å; F39-F64 HydrophobicContact CZ-CZ 3.99Å; F39-F69 HydrophobicContact CE1-CE2 4.22Å; F39-A72 HydrophobicContact CE1-CB 4.46Å; F39-A72 HydrophobicContact CE2-CB 4.09Å; F39-A72 HydrophobicContact CZ-CB 3.54Å; F39-I76 HydrophobicContact CD1-CD1 3.54Å; F39-I76 HydrophobicContact CD2-CD1 4.41Å; F39-I76 HydrophobicContact CE1-CD1 3.69Å; F39-I76 HydrophobicContact CG-CD1 3.95Å; F39-I76 HydrophobicContact CZ-CD1 4.19Å |
| 40 | R | 89.6 | Confident | 88.8 | Confident | 162 Ų | 162 | 64.5 Ų | 64.5 | 61% | 0.611 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 167.9 | -169.4 | -164.9 | -54.6 | -91.8 | 0.6 | 111.4 | L36 D37 L38 A42 Q43 | L36-R40 VanDerWaalsContact O-CB 3.3Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.28Å; D37-R40 PolarHBondContact O-N 3.11Å; D37-R40 IonicContact OD1-NE 2.79Å; D37-R40 IonicContact OD1-NH2 2.7Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 2.82Å; R40-A42 PolarHBondContact O-N 2.99Å; R40-Q43 PolarHBondContact O-N 3.13Å |
| 41 | A | 91.6 | Very high | 89.1 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -20.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | D37 L38 Q43 F101 V102 | D37-A41 WeakPolarHBondContact O-CB 3.44Å; D37-A41 PolarHBondContact O-N 2.98Å; L38-A41 CarbonylContact O-C 3.57Å; L38-A41 WeakPolarHBondContact O-CB 3.19Å; L38-A41 PolarHBondContact O-N 3.43Å; L38-A41 VanDerWaalsContact O-N 3.12Å; A41-Q43 PolarHBondContact O-N 3.02Å; A41-Q43 VanDerWaalsContact O-N 3.14Å; A41-F101 HydrophobicContact CB-CB 4.17Å; A41-F101 HydrophobicContact CB-CD1 4.29Å; A41-F101 CarbonylContact O-C 3.59Å; A41-F101 WeakPolarHBondContact O-CA 3.36Å; A41-V102 PolarHBondContact O-N 2.94Å |
| 42 | A | 92.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 2% | 0.017 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L38 F39 R40 L44 I76 Q80 F101 | L38-A42 PolarHBondContact O-N 3.37Å; F39-A42 VanDerWaalsContact O-CB 3.27Å; F39-A42 WeakPolarHBondContact O-CB 3.47Å; F39-A42 PolarHBondContact O-N 2.73Å; R40-A42 PolarHBondContact O-N 2.99Å; A42-L44 HydrophobicContact CB-CD1 4.48Å; A42-L44 HydrophobicContact CB-CG 4.34Å; A42-L44 PolarHBondContact O-N 3.4Å; A42-I76 HydrophobicContact CB-CD1 4.46Å; A42-I76 HydrophobicContact CB-CG2 3.68Å; A42-Q80 PolarHBondContact O-NE2 3.16Å; A42-F101 HydrophobicContact CB-CD1 4.04Å; A42-F101 HydrophobicContact CB-CE1 3.82Å |
| 43 | Q | 91.3 | Very high | 90 | Very high | 141 Ų | 141 | 60.6 Ų | 60.6 | 66% | 0.659 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 11.8 | 174.4 | -164.1 | 51 | 91.5 | 0 | 0 | 115.1 | R40 A41 V102 | R40-Q43 PolarHBondContact O-N 3.13Å; A41-Q43 PolarHBondContact O-N 3.02Å; A41-Q43 VanDerWaalsContact O-N 3.14Å; Q43-V102 HydrophobicContact CB-CG2 4.42Å |
| 44 | L | 91.2 | Very high | 90.1 | Very high | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | trans | -74.1 | 153.9 | 176.4 | -65.2 | 177.7 | 0 | 0 | 0 | 112.1 | A42 V48 V49 I52 I76 A79 Q80 | A42-L44 HydrophobicContact CB-CD1 4.48Å; A42-L44 HydrophobicContact CB-CG 4.34Å; A42-L44 PolarHBondContact O-N 3.4Å; L44-V48 HydrophobicContact CB-CB 4.48Å; L44-V48 HydrophobicContact CB-CG1 4.32Å; L44-V48 HydrophobicContact CD1-CG1 4.09Å; L44-V48 HydrophobicContact CD2-CG1 4.48Å; L44-V49 HydrophobicContact CB-CG2 3.87Å; L44-I52 HydrophobicContact CD1-CD1 3.89Å; L44-I76 HydrophobicContact CD1-CB 4.31Å; L44-I76 HydrophobicContact CD1-CG1 4.06Å; L44-I76 HydrophobicContact CD1-CG2 4.09Å; L44-A79 HydrophobicContact CD1-CB 3.8Å; L44-A79 HydrophobicContact CD2-CB 3.85Å; L44-Q80 HydrophobicContact CD2-CG 3.86Å; L44-Q80 HydrophobicContact CG-CG 4.32Å | ||
| 45 | P | 91.4 | Very high | 90.1 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | trans | -59.2 | 148.4 | 171.4 | -21.3 | 32.2 | 0 | 0 | 0 | 112.2 | E47 V48 V49 | P45-E47 PolarHBondContact O-N 3.49Å; P45-V48 HydrophobicContact CB-CB 4.45Å; P45-V48 HydrophobicContact CB-CG2 4.02Å; P45-V48 HydrophobicContact CG-CG2 3.97Å; P45-V48 WeakPolarHBondContact O-CB 3.39Å; P45-V48 PolarHBondContact O-N 2.88Å; P45-V49 PolarHBondContact O-N 3.33Å | ||
| 46 | S | 88 | Confident | 89.9 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 71% | 0.713 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.1 | -36.3 | -178.7 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | V49 L50 | S46-V49 PolarHBondContact O-N 2.99Å; S46-L50 WeakPolarHBondContact O-CB 3.48Å; S46-L50 PolarHBondContact O-N 3.18Å |
| 47 | E | 89.5 | Confident | 89.4 | Confident | 135 Ų | 135 | 58.4 Ų | 58.4 | 63% | 0.631 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 176.9 | -160 | 64.5 | -164.2 | 0 | 0 | 111.9 | P45 L50 Q51 | P45-E47 PolarHBondContact O-N 3.49Å; E47-L50 PolarHBondContact O-N 3.13Å; E47-Q51 WeakPolarHBondContact O-CB 3.36Å; E47-Q51 PolarHBondContact O-N 3.48Å |
| 48 | V | 91.2 | Very high | 88.7 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 21% | 0.212 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 110 | L44 P45 Q51 I52 A79 L85 | L44-V48 HydrophobicContact CB-CB 4.48Å; L44-V48 HydrophobicContact CB-CG1 4.32Å; L44-V48 HydrophobicContact CD1-CG1 4.09Å; L44-V48 HydrophobicContact CD2-CG1 4.48Å; P45-V48 HydrophobicContact CB-CB 4.45Å; P45-V48 HydrophobicContact CB-CG2 4.02Å; P45-V48 HydrophobicContact CG-CG2 3.97Å; P45-V48 WeakPolarHBondContact O-CB 3.39Å; P45-V48 PolarHBondContact O-N 2.88Å; V48-Q51 PolarHBondContact O-N 3.46Å; V48-I52 HydrophobicContact CG1-CD1 4.18Å; V48-I52 VanDerWaalsContact O-CG1 3.22Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 2.94Å; V48-A79 HydrophobicContact CG1-CB 3.84Å; V48-L85 HydrophobicContact CG1-CD1 3.67Å |
| 49 | V | 90.9 | Very high | 87.5 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 11% | 0.109 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | F39 L44 P45 S46 T53 | F39-V49 HydrophobicContact CB-CG1 3.83Å; F39-V49 HydrophobicContact CD2-CG1 4Å; F39-V49 HydrophobicContact CG-CG1 4.44Å; L44-V49 HydrophobicContact CB-CG2 3.87Å; P45-V49 PolarHBondContact O-N 3.33Å; S46-V49 PolarHBondContact O-N 2.99Å; V49-T53 WeakPolarHBondContact O-CB 3.23Å; V49-T53 PolarHBondContact O-N 3.27Å; V49-T53 PolarHBondContact O-OG1 2.79Å |
| 50 | L | 89.8 | Confident | 86.3 | Confident | 94 Ų | 94 | 66.9 Ų | 66.9 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 175.3 | -176.8 | 62 | 0 | 0 | 0 | 111.1 | S46 E47 I52 T53 E54 | S46-L50 WeakPolarHBondContact O-CB 3.48Å; S46-L50 PolarHBondContact O-N 3.18Å; E47-L50 PolarHBondContact O-N 3.13Å; L50-I52 PolarHBondContact O-N 3.43Å; L50-T53 WeakPolarHBondContact O-CB 3.46Å; L50-T53 PolarHBondContact O-N 3.4Å; L50-T53 VanDerWaalsContact O-N 3.11Å; L50-E54 PolarHBondContact O-N 2.91Å |
| 51 | Q | 89.6 | Confident | 85.3 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 42% | 0.416 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 175.9 | -171.3 | -178.4 | 8.3 | 0 | 0 | 111.7 | E47 V48 T53 E54 L55 L85 | E47-Q51 WeakPolarHBondContact O-CB 3.36Å; E47-Q51 PolarHBondContact O-N 3.48Å; V48-Q51 PolarHBondContact O-N 3.46Å; Q51-T53 VanDerWaalsContact C-N 3.32Å; Q51-T53 PolarHBondContact O-N 2.68Å; Q51-E54 PolarHBondContact O-N 3.39Å; Q51-L55 HydrophobicContact CG-CD1 4.19Å; Q51-L55 HydrophobicContact CG-CG 4.48Å; Q51-L55 WeakPolarHBondContact O-CB 3.31Å; Q51-L55 VanDerWaalsContact O-CG 3.29Å; Q51-L55 WeakPolarHBondContact O-CG 3.38Å; Q51-L55 PolarHBondContact O-N 2.9Å; Q51-L85 HydrophobicContact CB-CD1 4.27Å; Q51-L85 HydrophobicContact CG-CD1 4.2Å |
| 52 | I | 91 | Very high | 84.7 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.1 | -68.1 | 170.6 | 0 | 0 | 0 | 111.1 | L44 V48 L50 E54 L55 C56 A72 L75 I76 A79 L85 | L44-I52 HydrophobicContact CD1-CD1 3.89Å; V48-I52 HydrophobicContact CG1-CD1 4.18Å; V48-I52 VanDerWaalsContact O-CG1 3.22Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 2.94Å; L50-I52 PolarHBondContact O-N 3.43Å; I52-E54 VanDerWaalsContact C-N 3.31Å; I52-E54 PolarHBondContact O-N 2.98Å; I52-L55 PolarHBondContact O-N 3.32Å; I52-C56 PolarHBondContact O-N 2.92Å; I52-C56 VanDerWaalsContact O-N 3.11Å; I52-C56 PolarHBondContact O-SG 3.17Å; I52-A72 HydrophobicContact CG2-CB 3.93Å; I52-L75 HydrophobicContact CD1-CB 4.29Å; I52-L75 HydrophobicContact CG1-CB 3.99Å; I52-L75 HydrophobicContact CG1-CD1 4.49Å; I52-L75 HydrophobicContact CG2-CB 3.99Å; I52-L75 HydrophobicContact CG2-CD1 4.15Å; I52-I76 HydrophobicContact CD1-CG1 3.82Å; I52-A79 HydrophobicContact CD1-CB 4.43Å; I52-L85 HydrophobicContact CD1-CD1 4.12Å; I52-L85 HydrophobicContact CD1-CD2 4.01Å; I52-L85 HydrophobicContact CG1-CD1 3.61Å; I52-L85 HydrophobicContact CG1-CD2 3.74Å; I52-L85 HydrophobicContact CG1-CG 4.36Å |
| 53 | T | 89.4 | Confident | 84.4 | Confident | 19 Ų | 19 | 66.3 Ų | 66.3 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.7 | -33.7 | 179.7 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | V49 L50 Q51 A58 T59 F64 | V49-T53 WeakPolarHBondContact O-CB 3.23Å; V49-T53 PolarHBondContact O-N 3.27Å; V49-T53 PolarHBondContact O-OG1 2.79Å; L50-T53 WeakPolarHBondContact O-CB 3.46Å; L50-T53 PolarHBondContact O-N 3.4Å; L50-T53 VanDerWaalsContact O-N 3.11Å; Q51-T53 VanDerWaalsContact C-N 3.32Å; Q51-T53 PolarHBondContact O-N 2.68Å; T53-A58 HydrophobicContact CG2-CB 4.01Å; T53-A58 PolarHBondContact O-N 3.14Å; T53-A58 VanDerWaalsContact O-N 3.12Å; T53-T59 HydrophobicContact CG2-CG2 3.93Å; T53-T59 PolarHBondContact O-N 2.97Å; T53-F64 HydrophobicContact CG2-CE2 4.5Å; T53-F64 HydrophobicContact CG2-CZ 3.89Å |
| 54 | E | 88.8 | Confident | 84.3 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -75.1 | -45 | 174.2 | -178.2 | 161.9 | -146.5 | 0 | 0 | 112.8 | L50 Q51 I52 C56 G57 T59 | L50-E54 PolarHBondContact O-N 2.91Å; Q51-E54 PolarHBondContact O-N 3.39Å; I52-E54 VanDerWaalsContact C-N 3.31Å; I52-E54 PolarHBondContact O-N 2.98Å; E54-C56 PolarHBondContact O-N 3.29Å; E54-G57 WeakPolarHBondContact O-CA 3.45Å; E54-G57 PolarHBondContact O-N 3.41Å; E54-T59 HydrophobicContact CB-CG2 3.95Å |
| 55 | L | 86.2 | Confident | 84.2 | Confident | 65 Ų | 65 | 59 Ų | 59 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.8 | -31.2 | 176.9 | -71 | 174.4 | 0 | 0 | 0 | 112.4 | Q51 I52 G57 L75 L85 V87 | Q51-L55 HydrophobicContact CG-CD1 4.19Å; Q51-L55 HydrophobicContact CG-CG 4.48Å; Q51-L55 WeakPolarHBondContact O-CB 3.31Å; Q51-L55 VanDerWaalsContact O-CG 3.29Å; Q51-L55 WeakPolarHBondContact O-CG 3.38Å; Q51-L55 PolarHBondContact O-N 2.9Å; I52-L55 PolarHBondContact O-N 3.32Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.43Å; L55-L75 HydrophobicContact CB-CD1 3.89Å; L55-L75 HydrophobicContact CD1-CD1 4.03Å; L55-L85 HydrophobicContact CD1-CB 4.37Å; L55-V87 HydrophobicContact CB-CG2 4.43Å; L55-V87 HydrophobicContact CD2-CG2 4.01Å |
| 56 | C | 85.1 | Confident | 84 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -3.8 | 174.2 | -60.7 | 0 | 0 | 0 | 0 | 114.1 | I52 E54 A58 F64 Q68 A72 | I52-C56 PolarHBondContact O-N 2.92Å; I52-C56 VanDerWaalsContact O-N 3.11Å; I52-C56 PolarHBondContact O-SG 3.17Å; E54-C56 PolarHBondContact O-N 3.29Å; C56-A58 PolarHBondContact O-N 2.68Å; C56-F64 HydrophobicContact CB-CD1 3.96Å; C56-F64 HydrophobicContact CB-CE1 3.71Å; C56-Q68 HydrophobicContact CB-CB 4.38Å; C56-Q68 WeakPolarHBondContact O-CG 3.48Å; C56-Q68 PolarHBondContact SG-O 3.1Å; C56-A72 VanDerWaalsContact SG-CA 3.53Å; C56-A72 VanDerWaalsContact SG-CB 3.57Å; C56-A72 PolarHBondContact SG-N 3.29Å; C56-A72 VanDerWaalsContact SG-N 3.42Å |
| 57 | G | 76.9 | Confident | 84.1 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 1.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E54 L55 T59 R60 | E54-G57 WeakPolarHBondContact O-CA 3.45Å; E54-G57 PolarHBondContact O-N 3.41Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.43Å; G57-T59 VanDerWaalsContact C-N 3.31Å; G57-T59 PolarHBondContact O-N 2.97Å; G57-R60 PolarHBondContact O-N 2.94Å |
| 58 | A | 74.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -28 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T53 C56 R60 L61 G62 F64 | T53-A58 HydrophobicContact CG2-CB 4.01Å; T53-A58 PolarHBondContact O-N 3.14Å; T53-A58 VanDerWaalsContact O-N 3.12Å; C56-A58 PolarHBondContact O-N 2.68Å; A58-R60 PolarHBondContact O-N 2.7Å; A58-L61 PolarHBondContact O-N 2.88Å; A58-L61 VanDerWaalsContact O-N 3.13Å; A58-G62 PolarHBondContact O-N 2.68Å; A58-F64 HydrophobicContact CB-CD1 3.64Å; A58-F64 HydrophobicContact CB-CD2 3.86Å; A58-F64 HydrophobicContact CB-CE1 3.5Å; A58-F64 VanDerWaalsContact CB-CE1 3.5Å; A58-F64 HydrophobicContact CB-CE2 3.72Å; A58-F64 HydrophobicContact CB-CG 3.81Å; A58-F64 HydrophobicContact CB-CZ 3.54Å |
| 59 | T | 67.8 | Low | 84.1 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.5 | -31.3 | 172.7 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | T53 E54 G57 | T53-T59 HydrophobicContact CG2-CG2 3.93Å; T53-T59 PolarHBondContact O-N 2.97Å; E54-T59 HydrophobicContact CB-CG2 3.95Å; G57-T59 VanDerWaalsContact C-N 3.31Å; G57-T59 PolarHBondContact O-N 2.97Å |
| 60 | R | 65.3 | Low | 84.2 | Confident | 217 Ų | 217 | 51.8 Ų | 51.8 | 82% | 0.819 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -91.4 | -15.1 | 179.9 | -57.6 | -173.4 | -175.3 | -153.5 | 0.3 | 113.5 | G57 A58 | G57-R60 PolarHBondContact O-N 2.94Å; A58-R60 PolarHBondContact O-N 2.7Å |
| 61 | L | 69.7 | Low | 84.3 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 45% | 0.45 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -110 | -22.3 | -174.5 | -69.7 | 172.2 | 0 | 0 | 0 | 113.4 | A58 H63 | A58-L61 PolarHBondContact O-N 2.88Å; A58-L61 VanDerWaalsContact O-N 3.13Å; L61-H63 PolarHBondContact O-CE1 3.36Å; L61-H63 PolarHBondContact O-N 3.45Å; L61-H63 PolarHBondContact O-ND1 3.39Å |
| 62 | G | 79.4 | Confident | 84.4 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 70.4 | 3.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S31 A58 | S31-G62 PolarHBondContact N-O 2.94Å; S31-G62 PolarHBondContact OG-O 2.97Å; A58-G62 PolarHBondContact O-N 2.68Å |
| 63 | H | 85.9 | Confident | 84.5 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 20% | 0.204 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 155.1 | -179.2 | 63.9 | -80.5 | 0 | 0 | 0 | 110.7 | K28 V29 L61 | K28-H63 PolarHBondContact NZ-NE2 2.92Å; V29-H63 CarbonylContact O-C 3.59Å; V29-H63 VanDerWaalsContact O-CA 3.28Å; V29-H63 WeakPolarHBondContact O-CA 3.49Å; V29-H63 WeakPolarHBondContact O-CB 3.23Å; L61-H63 PolarHBondContact O-CE1 3.36Å; L61-H63 PolarHBondContact O-N 3.45Å; L61-H63 PolarHBondContact O-ND1 3.39Å |
| 64 | F | 88.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.8 | 166.8 | -57.6 | -103.5 | 0 | 0 | 0 | 109.4 | K28 V29 V35 F39 T53 C56 A58 Q68 F69 A72 | K28-F64 WeakPolarHBondContact CA-O 3.34Å; V29-F64 HydrophobicContact CG2-CB 3.84Å; V29-F64 HydrophobicContact CG2-CD2 4.4Å; V29-F64 PolarHBondContact N-O 3.18Å; V29-F64 PolarHBondContact O-N 3.41Å; V35-F64 HydrophobicContact CG1-CD2 4.03Å; V35-F64 HydrophobicContact CG1-CE2 3.68Å; V35-F64 HydrophobicContact CG1-CZ 4.43Å; F39-F64 HydrophobicContact CE2-CE1 4.21Å; F39-F64 HydrophobicContact CE2-CE2 4.25Å; F39-F64 AromaticContact CE2-CZ 3.61Å; F39-F64 HydrophobicContact CE2-CZ 3.61Å; F39-F64 HydrophobicContact CZ-CE1 4.31Å; F39-F64 HydrophobicContact CZ-CE2 4.45Å; F39-F64 AromaticContact CZ-CZ 3.99Å; F39-F64 HydrophobicContact CZ-CZ 3.99Å; T53-F64 HydrophobicContact CG2-CE2 4.5Å; T53-F64 HydrophobicContact CG2-CZ 3.89Å; C56-F64 HydrophobicContact CB-CD1 3.96Å; C56-F64 HydrophobicContact CB-CE1 3.71Å; A58-F64 HydrophobicContact CB-CD1 3.64Å; A58-F64 HydrophobicContact CB-CD2 3.86Å; A58-F64 HydrophobicContact CB-CE1 3.5Å; A58-F64 VanDerWaalsContact CB-CE1 3.5Å; A58-F64 HydrophobicContact CB-CE2 3.72Å; A58-F64 HydrophobicContact CB-CG 3.81Å; A58-F64 HydrophobicContact CB-CZ 3.54Å; F64-Q68 HydrophobicContact CB-CB 4.17Å; F64-Q68 HydrophobicContact CD1-CB 4.16Å; F64-F69 HydrophobicContact CB-CB 4.02Å; F64-A72 HydrophobicContact CD1-CB 4.36Å; F64-A72 HydrophobicContact CE1-CB 3.92Å |
| 65 | G | 89 | Confident | 84.8 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 17% | 0.165 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 165.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S67 Q68 F69 | G65-S67 VanDerWaalsContact C-N 3.35Å; G65-S67 PolarHBondContact O-N 3.38Å; G65-Q68 WeakPolarHBondContact O-CB 3.3Å; G65-Q68 PolarHBondContact O-N 3.43Å; G65-F69 PolarHBondContact O-N 2.61Å |
| 66 | R | 88.6 | Confident | 85.1 | Confident | 105 Ų | 105 | 34.9 Ų | 34.9 | 40% | 0.396 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -51.9 | -46.2 | -176.3 | -168.2 | 174.4 | 179.3 | 92.6 | -12.6 | 114 | F18 F69 Y70 | F18-R66 HydrophobicContact CD1-CG 4.44Å; F18-R66 VanDerWaalsContact CD1-NH1 3.29Å; F18-R66 HydrophobicContact CD2-CB 4.3Å; F18-R66 HydrophobicContact CD2-CG 4.17Å; F18-R66 VanDerWaalsContact CE2-CA 3.44Å; F18-R66 HydrophobicContact CE2-CB 3.92Å; F18-R66 HydrophobicContact CE2-CG 4.26Å; F18-R66 HydrophobicContact CG-CG 4.26Å; F18-R66 HydrophobicContact CZ-CB 4.03Å; F18-R66 HydrophobicContact CZ-CG 4.42Å; R66-F69 PolarHBondContact O-N 2.97Å; R66-Y70 HydrophobicContact CG-CE1 3.92Å; R66-Y70 HydrophobicContact CG-CE2 4.24Å; R66-Y70 PolarHBondContact NE-OH 3.14Å; R66-Y70 VanDerWaalsContact NE-OH 3.13Å; R66-Y70 PolarHBondContact NH2-OH 3.01Å; R66-Y70 VanDerWaalsContact O-CD1 3.24Å; R66-Y70 WeakPolarHBondContact O-CD1 3.04Å; R66-Y70 VanDerWaalsContact O-CG 3.31Å; R66-Y70 PolarHBondContact O-N 3.4Å |
| 67 | S | 88.6 | Confident | 85.4 | Confident | 73 Ų | 73 | 34.9 Ų | 34.9 | 51% | 0.51 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 175.5 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | G65 F69 Y70 I71 | G65-S67 VanDerWaalsContact C-N 3.35Å; G65-S67 PolarHBondContact O-N 3.38Å; S67-F69 VanDerWaalsContact C-N 3.3Å; S67-F69 PolarHBondContact O-N 3.16Å; S67-Y70 PolarHBondContact O-N 3.18Å; S67-I71 VanDerWaalsContact O-CG1 3.29Å; S67-I71 WeakPolarHBondContact O-CG1 3.26Å; S67-I71 PolarHBondContact O-N 3.3Å |
| 68 | Q | 90.3 | Very high | 86.1 | Confident | 27 Ų | 27 | 34 Ų | 34 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.2 | -36.8 | 177.3 | -64.7 | 169.8 | -23.9 | 0 | 0 | 111.8 | M1 C56 F64 G65 A72 | M1-Q68 HydrophobicContact CE-CG 4.15Å; M1-Q68 HydrophobicContact SD-CG 4.11Å; C56-Q68 HydrophobicContact CB-CB 4.38Å; C56-Q68 WeakPolarHBondContact O-CG 3.48Å; C56-Q68 PolarHBondContact SG-O 3.1Å; F64-Q68 HydrophobicContact CB-CB 4.17Å; F64-Q68 HydrophobicContact CD1-CB 4.16Å; G65-Q68 WeakPolarHBondContact O-CB 3.3Å; G65-Q68 PolarHBondContact O-N 3.43Å; Q68-A72 PolarHBondContact O-N 3.31Å |
| 69 | F | 91.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.8 | -40.1 | 174.8 | -175 | -102 | 0 | 0 | 0 | 111.8 | L17 F18 C21 V29 V35 L38 F39 F64 G65 R66 S67 A72 L73 | L17-F69 HydrophobicContact CB-CE1 4.06Å; L17-F69 HydrophobicContact CB-CZ 4.34Å; F18-F69 HydrophobicContact CB-CD1 3.86Å; F18-F69 HydrophobicContact CB-CE1 3.87Å; F18-F69 HydrophobicContact CD2-CB 3.87Å; F18-F69 AromaticContact CD2-CD1 3.62Å; F18-F69 HydrophobicContact CD2-CD1 3.62Å; F18-F69 HydrophobicContact CD2-CE1 4.28Å; F18-F69 AromaticContact CD2-CG 3.85Å; F18-F69 HydrophobicContact CD2-CG 3.85Å; F18-F69 HydrophobicContact CE2-CB 4.22Å; F18-F69 HydrophobicContact CG-CD1 4.25Å; C21-F69 HydrophobicContact CB-CZ 4.41Å; V29-F69 HydrophobicContact CG2-CB 4.35Å; V29-F69 HydrophobicContact CG2-CD2 3.61Å; V29-F69 HydrophobicContact CG2-CE2 4.11Å; V29-F69 HydrophobicContact CG2-CG 4.14Å; V35-F69 HydrophobicContact CG1-CD2 4.4Å; V35-F69 HydrophobicContact CG1-CE2 4.1Å; V35-F69 HydrophobicContact CG2-CE2 4.11Å; L38-F69 HydrophobicContact CD2-CE2 4.2Å; L38-F69 HydrophobicContact CD2-CZ 3.74Å; F39-F69 HydrophobicContact CE1-CE2 4.22Å; F64-F69 HydrophobicContact CB-CB 4.02Å; G65-F69 PolarHBondContact O-N 2.61Å; R66-F69 PolarHBondContact O-N 2.97Å; S67-F69 VanDerWaalsContact C-N 3.3Å; S67-F69 PolarHBondContact O-N 3.16Å; F69-A72 WeakPolarHBondContact O-CB 3.44Å; F69-A72 PolarHBondContact O-N 2.82Å; F69-L73 HydrophobicContact CD1-CD1 3.82Å; F69-L73 HydrophobicContact CD1-CG 4.3Å; F69-L73 HydrophobicContact CE1-CD1 3.5Å; F69-L73 HydrophobicContact CE1-CG 4.11Å; F69-L73 HydrophobicContact CZ-CD1 4.22Å; F69-L73 HydrophobicContact CZ-CD2 4.49Å; F69-L73 HydrophobicContact CZ-CG 4.47Å; F69-L73 WeakPolarHBondContact O-CG 3.3Å; F69-L73 PolarHBondContact O-N 3.07Å |
| 70 | Y | 92.2 | Very high | 88 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 6% | 0.059 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -39.7 | 175.4 | -66.4 | 1.1 | 0 | 0 | 0 | 112 | L6 Y14 S15 F18 R66 S67 A72 L73 K74 | L6-Y70 HydrophobicContact CD1-CD2 3.63Å; L6-Y70 HydrophobicContact CD1-CE2 4.23Å; L6-Y70 HydrophobicContact CD1-CG 4.28Å; Y14-Y70 HydrophobicContact CD2-CG 4.38Å; Y14-Y70 WeakPolarHBondContact O-CE1 3.42Å; S15-Y70 VanDerWaalsContact CA-OH 3.26Å; S15-Y70 WeakPolarHBondContact CA-OH 3.1Å; S15-Y70 VanDerWaalsContact CB-OH 3.29Å; S15-Y70 WeakPolarHBondContact CB-OH 3.41Å; S15-Y70 PolarHBondContact N-OH 2.61Å; F18-Y70 HydrophobicContact CB-CE1 4.12Å; R66-Y70 HydrophobicContact CG-CE1 3.92Å; R66-Y70 HydrophobicContact CG-CE2 4.24Å; R66-Y70 PolarHBondContact NE-OH 3.14Å; R66-Y70 VanDerWaalsContact NE-OH 3.13Å; R66-Y70 PolarHBondContact NH2-OH 3.01Å; R66-Y70 VanDerWaalsContact O-CD1 3.24Å; R66-Y70 WeakPolarHBondContact O-CD1 3.04Å; R66-Y70 VanDerWaalsContact O-CG 3.31Å; R66-Y70 PolarHBondContact O-N 3.4Å; S67-Y70 PolarHBondContact O-N 3.18Å; Y70-A72 VanDerWaalsContact C-N 3.31Å; Y70-A72 PolarHBondContact O-N 3.28Å; Y70-L73 PolarHBondContact O-N 3.42Å; Y70-K74 PolarHBondContact O-N 3.18Å |
| 71 | I | 91.6 | Very high | 89.2 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.062 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 171.1 | -68.1 | 166.1 | 0 | 0 | 0 | 109.5 | M1 L4 S67 L73 K74 L75 L90 | M1-I71 HydrophobicContact SD-CD1 4.32Å; L4-I71 HydrophobicContact CB-CG1 4.4Å; L4-I71 HydrophobicContact CD1-CG1 4.34Å; L4-I71 HydrophobicContact CD2-CG1 3.99Å; L4-I71 HydrophobicContact CG-CG1 4.5Å; S67-I71 VanDerWaalsContact O-CG1 3.29Å; S67-I71 WeakPolarHBondContact O-CG1 3.26Å; S67-I71 PolarHBondContact O-N 3.3Å; I71-L73 PolarHBondContact O-N 2.93Å; I71-K74 PolarHBondContact O-N 2.95Å; I71-L75 HydrophobicContact CG2-CD1 4.05Å; I71-L75 HydrophobicContact CG2-CG 4.26Å; I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.05Å; I71-L90 HydrophobicContact CG2-CD1 3.79Å |
| 72 | A | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F39 I52 C56 F64 Q68 F69 Y70 L75 I76 | F39-A72 HydrophobicContact CE1-CB 4.46Å; F39-A72 HydrophobicContact CE2-CB 4.09Å; F39-A72 HydrophobicContact CZ-CB 3.54Å; I52-A72 HydrophobicContact CG2-CB 3.93Å; C56-A72 VanDerWaalsContact SG-CA 3.53Å; C56-A72 VanDerWaalsContact SG-CB 3.57Å; C56-A72 PolarHBondContact SG-N 3.29Å; C56-A72 VanDerWaalsContact SG-N 3.42Å; F64-A72 HydrophobicContact CD1-CB 4.36Å; F64-A72 HydrophobicContact CE1-CB 3.92Å; Q68-A72 PolarHBondContact O-N 3.31Å; F69-A72 WeakPolarHBondContact O-CB 3.44Å; F69-A72 PolarHBondContact O-N 2.82Å; Y70-A72 VanDerWaalsContact C-N 3.31Å; Y70-A72 PolarHBondContact O-N 3.28Å; A72-L75 PolarHBondContact O-N 2.78Å; A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.48Å; A72-I76 PolarHBondContact O-N 2.8Å |
| 73 | L | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 177.1 | -69.8 | 177 | 0 | 0 | 0 | 112.4 | Y14 L17 L38 F69 Y70 I71 I76 A77 P99 F101 | Y14-L73 HydrophobicContact CD1-CB 3.92Å; Y14-L73 HydrophobicContact CD1-CD1 3.56Å; Y14-L73 HydrophobicContact CD1-CG 4.36Å; Y14-L73 HydrophobicContact CD2-CB 4.38Å; Y14-L73 HydrophobicContact CE1-CB 3.94Å; Y14-L73 HydrophobicContact CE1-CD1 4.39Å; Y14-L73 HydrophobicContact CE2-CB 4.41Å; Y14-L73 HydrophobicContact CG-CB 4.18Å; Y14-L73 HydrophobicContact CG-CD1 3.67Å; L17-L73 HydrophobicContact CB-CD1 4.16Å; L17-L73 HydrophobicContact CD1-CD1 3.92Å; L17-L73 HydrophobicContact CD1-CD2 3.98Å; L38-L73 HydrophobicContact CD2-CD2 4.36Å; F69-L73 HydrophobicContact CD1-CD1 3.82Å; F69-L73 HydrophobicContact CD1-CG 4.3Å; F69-L73 HydrophobicContact CE1-CD1 3.5Å; F69-L73 HydrophobicContact CE1-CG 4.11Å; F69-L73 HydrophobicContact CZ-CD1 4.22Å; F69-L73 HydrophobicContact CZ-CD2 4.49Å; F69-L73 HydrophobicContact CZ-CG 4.47Å; F69-L73 WeakPolarHBondContact O-CG 3.3Å; F69-L73 PolarHBondContact O-N 3.07Å; Y70-L73 PolarHBondContact O-N 3.42Å; I71-L73 PolarHBondContact O-N 2.93Å; L73-I76 WeakPolarHBondContact O-CB 3.16Å; L73-I76 PolarHBondContact O-N 2.8Å; L73-A77 PolarHBondContact O-N 3.3Å; L73-P99 HydrophobicContact CB-CG 4.34Å; L73-F101 HydrophobicContact CD2-CE2 4.28Å; L73-F101 HydrophobicContact CD2-CZ 3.65Å |
| 74 | K | 91.2 | Very high | 90.2 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.7 | -33.9 | 177.2 | -153.8 | 175.7 | -165.4 | -175.4 | 0 | 112.3 | L4 T5 L6 E10 Y14 Y70 I71 I76 A77 I78 L90 L96 | L4-K74 HydrophobicContact CD1-CD 3.78Å; L4-K74 HydrophobicContact CG-CD 4.43Å; T5-K74 PolarHBondContact O-NZ 3.27Å; L6-K74 HydrophobicContact CD2-CD 4.02Å; E10-K74 WeakPolarHBondContact OE1-CE 3.33Å; E10-K74 IonicContact OE1-NZ 3Å; Y14-K74 HydrophobicContact CE2-CB 4.35Å; Y70-K74 PolarHBondContact O-N 3.18Å; I71-K74 PolarHBondContact O-N 2.95Å; K74-I76 VanDerWaalsContact C-N 3.35Å; K74-A77 WeakPolarHBondContact O-CB 3.29Å; K74-A77 PolarHBondContact O-N 3.48Å; K74-I78 WeakPolarHBondContact O-CG1 3.42Å; K74-I78 PolarHBondContact O-N 3.36Å; K74-L90 HydrophobicContact CB-CD2 3.84Å; K74-L90 HydrophobicContact CD-CD2 4.31Å; K74-L90 WeakPolarHBondContact CD-O 3.32Å; K74-L90 WeakPolarHBondContact CE-O 3.36Å; K74-L90 HydrophobicContact CG-CD2 4.16Å; K74-L90 PolarHBondContact NZ-O 3.1Å; K74-L96 HydrophobicContact CG-CD1 3.98Å |
| 75 | L | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 168.3 | -71.9 | 179.5 | 0 | 0 | 0 | 112.3 | I52 L55 I71 A72 I78 A79 L85 L90 | I52-L75 HydrophobicContact CD1-CB 4.29Å; I52-L75 HydrophobicContact CG1-CB 3.99Å; I52-L75 HydrophobicContact CG1-CD1 4.49Å; I52-L75 HydrophobicContact CG2-CB 3.99Å; I52-L75 HydrophobicContact CG2-CD1 4.15Å; L55-L75 HydrophobicContact CB-CD1 3.89Å; L55-L75 HydrophobicContact CD1-CD1 4.03Å; I71-L75 HydrophobicContact CG2-CD1 4.05Å; I71-L75 HydrophobicContact CG2-CG 4.26Å; I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.05Å; A72-L75 PolarHBondContact O-N 2.78Å; L75-I78 HydrophobicContact CD2-CD1 4.41Å; L75-I78 PolarHBondContact O-N 3.01Å; L75-A79 PolarHBondContact O-N 2.87Å; L75-L85 HydrophobicContact CB-CD2 3.9Å; L75-L85 HydrophobicContact CD2-CD2 4.03Å; L75-L85 HydrophobicContact CG-CD2 4.45Å; L75-L85 WeakPolarHBondContact O-CD2 3.24Å; L75-L90 HydrophobicContact CD2-CD2 3.8Å; L75-L90 HydrophobicContact CD2-CG 4.2Å; L75-L90 HydrophobicContact CG-CD2 3.98Å |
| 76 | I | 93 | Very high | 89.6 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 172.7 | -72.8 | 166.4 | 0 | 0 | 0 | 110.4 | F39 A42 L44 I52 A72 L73 K74 I78 A79 Q80 P99 | F39-I76 HydrophobicContact CD1-CD1 3.54Å; F39-I76 HydrophobicContact CD2-CD1 4.41Å; F39-I76 HydrophobicContact CE1-CD1 3.69Å; F39-I76 HydrophobicContact CG-CD1 3.95Å; F39-I76 HydrophobicContact CZ-CD1 4.19Å; A42-I76 HydrophobicContact CB-CD1 4.46Å; A42-I76 HydrophobicContact CB-CG2 3.68Å; L44-I76 HydrophobicContact CD1-CB 4.31Å; L44-I76 HydrophobicContact CD1-CG1 4.06Å; L44-I76 HydrophobicContact CD1-CG2 4.09Å; I52-I76 HydrophobicContact CD1-CG1 3.82Å; A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.48Å; A72-I76 PolarHBondContact O-N 2.8Å; L73-I76 WeakPolarHBondContact O-CB 3.16Å; L73-I76 PolarHBondContact O-N 2.8Å; K74-I76 VanDerWaalsContact C-N 3.35Å; I76-I78 PolarHBondContact O-N 3.04Å; I76-A79 PolarHBondContact O-N 3.28Å; I76-Q80 HydrophobicContact CG2-CG 4.3Å; I76-Q80 WeakPolarHBondContact O-CB 3.45Å; I76-Q80 VanDerWaalsContact O-CG 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.41Å; I76-Q80 PolarHBondContact O-N 3.37Å; I76-P99 HydrophobicContact CB-CB 4.29Å; I76-P99 HydrophobicContact CG2-CB 3.72Å |
| 77 | A | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L73 K74 Q80 S81 P97 P99 | L73-A77 PolarHBondContact O-N 3.3Å; K74-A77 WeakPolarHBondContact O-CB 3.29Å; K74-A77 PolarHBondContact O-N 3.48Å; A77-Q80 PolarHBondContact O-N 2.86Å; A77-S81 WeakPolarHBondContact O-CB 3.18Å; A77-S81 PolarHBondContact O-N 3.41Å; A77-S81 PolarHBondContact O-OG 3.47Å; A77-P97 WeakPolarHBondContact CB-O 3.34Å; A77-P99 HydrophobicContact CB-CB 4.23Å |
| 78 | I | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.4 | -51.4 | 173.8 | -72.7 | 169 | 0 | 0 | 0 | 110.6 | K74 L75 I76 Q80 S81 G82 L83 L85 L90 L96 | K74-I78 WeakPolarHBondContact O-CG1 3.42Å; K74-I78 PolarHBondContact O-N 3.36Å; L75-I78 HydrophobicContact CD2-CD1 4.41Å; L75-I78 PolarHBondContact O-N 3.01Å; I76-I78 PolarHBondContact O-N 3.04Å; I78-Q80 PolarHBondContact O-N 3.12Å; I78-S81 CarbonylContact O-C 3.37Å; I78-S81 WeakPolarHBondContact O-CB 3.24Å; I78-S81 PolarHBondContact O-N 3.15Å; I78-S81 VanDerWaalsContact O-N 3.13Å; I78-G82 PolarHBondContact O-N 3.16Å; I78-L83 HydrophobicContact CG2-CB 3.74Å; I78-L83 WeakPolarHBondContact O-CB 3.33Å; I78-L83 PolarHBondContact O-N 3.02Å; I78-L85 HydrophobicContact CG2-CD2 4.5Å; I78-L90 HydrophobicContact CD1-CD2 4.02Å; I78-L96 HydrophobicContact CD1-CD1 4.26Å; I78-L96 HydrophobicContact CG1-CD1 3.66Å; I78-L96 HydrophobicContact CG1-CD2 3.96Å; I78-L96 HydrophobicContact CG1-CG 4.48Å |
| 79 | A | 91.5 | Very high | 87.7 | Confident | 20 Ų | 20 | 34.1 Ų | 34.1 | 17% | 0.165 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L44 V48 I52 L75 I76 S81 G82 L85 | L44-A79 HydrophobicContact CD1-CB 3.8Å; L44-A79 HydrophobicContact CD2-CB 3.85Å; V48-A79 HydrophobicContact CG1-CB 3.84Å; I52-A79 HydrophobicContact CD1-CB 4.43Å; L75-A79 PolarHBondContact O-N 2.87Å; I76-A79 PolarHBondContact O-N 3.28Å; A79-S81 PolarHBondContact O-N 3.38Å; A79-G82 PolarHBondContact O-N 3.14Å; A79-G82 VanDerWaalsContact O-N 3.07Å; A79-L85 HydrophobicContact CB-CD2 4.04Å; A79-L85 HydrophobicContact CB-CG 4.32Å |
| 80 | Q | 91.3 | Very high | 87.2 | Confident | 60 Ų | 60 | 34.5 Ų | 34.5 | 28% | 0.28 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.7 | -24.7 | 174.7 | -73.8 | -176 | -12.2 | 0 | 0 | 113.2 | A42 L44 I76 A77 I78 G82 R100 | A42-Q80 PolarHBondContact O-NE2 3.16Å; L44-Q80 HydrophobicContact CD2-CG 3.86Å; L44-Q80 HydrophobicContact CG-CG 4.32Å; I76-Q80 HydrophobicContact CG2-CG 4.3Å; I76-Q80 WeakPolarHBondContact O-CB 3.45Å; I76-Q80 VanDerWaalsContact O-CG 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.41Å; I76-Q80 PolarHBondContact O-N 3.37Å; A77-Q80 PolarHBondContact O-N 2.86Å; I78-Q80 PolarHBondContact O-N 3.12Å; Q80-G82 PolarHBondContact O-N 3.03Å; Q80-R100 PolarHBondContact NE2-O 3.49Å |
| 81 | S | 89.5 | Confident | 86.6 | Confident | 47 Ų | 47 | 36.1 Ų | 36.1 | 33% | 0.329 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1.4 | 172.3 | -54.6 | 0 | 0 | 0 | 0 | 113 | A77 I78 A79 L83 P97 | A77-S81 WeakPolarHBondContact O-CB 3.18Å; A77-S81 PolarHBondContact O-N 3.41Å; A77-S81 PolarHBondContact O-OG 3.47Å; I78-S81 CarbonylContact O-C 3.37Å; I78-S81 WeakPolarHBondContact O-CB 3.24Å; I78-S81 PolarHBondContact O-N 3.15Å; I78-S81 VanDerWaalsContact O-N 3.13Å; A79-S81 PolarHBondContact O-N 3.38Å; S81-L83 PolarHBondContact O-N 3.32Å; S81-P97 WeakPolarHBondContact OG-CD 3.46Å |
| 82 | G | 86.2 | Confident | 85.7 | Confident | 70 Ų | 70 | 39.7 Ų | 39.7 | 72% | 0.722 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 13.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I78 A79 Q80 | I78-G82 PolarHBondContact O-N 3.16Å; A79-G82 PolarHBondContact O-N 3.14Å; A79-G82 VanDerWaalsContact O-N 3.07Å; Q80-G82 PolarHBondContact O-N 3.03Å |
| 83 | L | 85.9 | Confident | 84.9 | Confident | 70 Ų | 70 | 41.6 Ų | 41.6 | 37% | 0.366 | 24% | 0.243 | S | C | . | . | trans | -87.8 | 150.3 | -178.4 | -64.2 | 176 | 0 | 0 | 0 | 111.1 | I78 S81 L85 V93 L96 | I78-L83 HydrophobicContact CG2-CB 3.74Å; I78-L83 WeakPolarHBondContact O-CB 3.33Å; I78-L83 PolarHBondContact O-N 3.02Å; S81-L83 PolarHBondContact O-N 3.32Å; L83-L85 PolarHBondContact O-N 3.06Å; L83-V93 HydrophobicContact CD1-CG1 4.05Å; L83-V93 HydrophobicContact CD1-CG2 4.15Å; L83-L96 HydrophobicContact CD1-CD2 4.26Å | ||
| 84 | P | 83.8 | Confident | 83.7 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | trans | -65.9 | 131.5 | -178.6 | 26.9 | -34.8 | 0 | 0 | 0 | 111.5 | R86 | P84-R86 HydrophobicContact CB-CG 4.47Å; P84-R86 PolarHBondContact O-N 3.29Å | ||
| 85 | L | 83.8 | Confident | 82.8 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | trans | -64.5 | 102 | 175.6 | -79.6 | 179.3 | 0 | 0 | 0 | 111 | V48 Q51 I52 L55 L75 I78 A79 L83 | V48-L85 HydrophobicContact CG1-CD1 3.67Å; Q51-L85 HydrophobicContact CB-CD1 4.27Å; Q51-L85 HydrophobicContact CG-CD1 4.2Å; I52-L85 HydrophobicContact CD1-CD1 4.12Å; I52-L85 HydrophobicContact CD1-CD2 4.01Å; I52-L85 HydrophobicContact CG1-CD1 3.61Å; I52-L85 HydrophobicContact CG1-CD2 3.74Å; I52-L85 HydrophobicContact CG1-CG 4.36Å; L55-L85 HydrophobicContact CD1-CB 4.37Å; L75-L85 HydrophobicContact CB-CD2 3.9Å; L75-L85 HydrophobicContact CD2-CD2 4.03Å; L75-L85 HydrophobicContact CG-CD2 4.45Å; L75-L85 WeakPolarHBondContact O-CD2 3.24Å; I78-L85 HydrophobicContact CG2-CD2 4.5Å; A79-L85 HydrophobicContact CB-CD2 4.04Å; A79-L85 HydrophobicContact CB-CG 4.32Å; L83-L85 PolarHBondContact O-N 3.06Å | ||
| 86 | R | 80.4 | Confident | 82.4 | Confident | 134 Ų | 134 | 56.8 Ų | 56.8 | 51% | 0.506 | 32% | 0.318 | S | S | . | . | trans | -143.2 | 128.7 | -176 | -77 | -162.6 | -50 | 170 | 10 | 109.5 | P84 E88 S89 | P84-R86 HydrophobicContact CB-CG 4.47Å; P84-R86 PolarHBondContact O-N 3.29Å; R86-E88 VanDerWaalsContact CB-OE2 3.26Å; R86-E88 WeakPolarHBondContact CB-OE2 3.45Å; R86-E88 PolarHBondContact O-N 3.05Å; R86-S89 WeakPolarHBondContact CB-OG 3.39Å; R86-S89 PolarHBondContact NE-OG 2.98Å; R86-S89 PolarHBondContact NH2-OG 3.42Å; R86-S89 PolarHBondContact O-N 3.37Å; R86-S89 VanDerWaalsContact O-N 3.16Å | ||
| 87 | V | 77.9 | Confident | 82.1 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 28% | 0.279 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -65.8 | -35.5 | -178.7 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | L55 S89 L90 | L55-V87 HydrophobicContact CB-CG2 4.43Å; L55-V87 HydrophobicContact CD2-CG2 4.01Å; V87-S89 PolarHBondContact O-N 3.2Å; V87-S89 VanDerWaalsContact O-N 3.15Å; V87-L90 HydrophobicContact CB-CD1 4.39Å; V87-L90 HydrophobicContact CG1-CD1 3.8Å; V87-L90 VanDerWaalsContact O-CB 3.25Å; V87-L90 WeakPolarHBondContact O-CB 3.25Å; V87-L90 VanDerWaalsContact O-CD1 3.3Å; V87-L90 WeakPolarHBondContact O-CD1 3.15Å; V87-L90 WeakPolarHBondContact O-CG 3.49Å; V87-L90 PolarHBondContact O-N 3.46Å; V87-L90 VanDerWaalsContact O-N 3.12Å |
| 88 | E | 74.7 | Confident | 82 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 55% | 0.547 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -64.8 | -20.5 | 179.1 | -45.8 | 69.1 | -142.2 | 0 | 0 | 111.9 | R86 | R86-E88 VanDerWaalsContact CB-OE2 3.26Å; R86-E88 WeakPolarHBondContact CB-OE2 3.45Å; R86-E88 PolarHBondContact O-N 3.05Å |
| 89 | S | 75.5 | Confident | 82 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -86.8 | -10.4 | 179.6 | -56.7 | 0 | 0 | 0 | 0 | 113.5 | R86 V87 N91 S92 V93 | R86-S89 WeakPolarHBondContact CB-OG 3.39Å; R86-S89 PolarHBondContact NE-OG 2.98Å; R86-S89 PolarHBondContact NH2-OG 3.42Å; R86-S89 PolarHBondContact O-N 3.37Å; R86-S89 VanDerWaalsContact O-N 3.16Å; V87-S89 PolarHBondContact O-N 3.2Å; V87-S89 VanDerWaalsContact O-N 3.15Å; S89-N91 VanDerWaalsContact C-N 3.33Å; S89-N91 PolarHBondContact O-N 3.19Å; S89-S92 PolarHBondContact O-N 3.05Å; S89-V93 PolarHBondContact O-N 3.44Å |
| 90 | L | 80.9 | Confident | 82 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -37.1 | -176.3 | -74.2 | 167.3 | 0 | 0 | 0 | 114.5 | L4 I71 K74 L75 I78 V87 | L4-L90 HydrophobicContact CD1-CB 3.82Å; L4-L90 HydrophobicContact CD1-CD1 4.19Å; L4-L90 HydrophobicContact CD1-CD2 4.04Å; L4-L90 HydrophobicContact CD1-CG 4.26Å; I71-L90 HydrophobicContact CG2-CD1 3.79Å; K74-L90 HydrophobicContact CB-CD2 3.84Å; K74-L90 HydrophobicContact CD-CD2 4.31Å; K74-L90 WeakPolarHBondContact CD-O 3.32Å; K74-L90 WeakPolarHBondContact CE-O 3.36Å; K74-L90 HydrophobicContact CG-CD2 4.16Å; K74-L90 PolarHBondContact NZ-O 3.1Å; L75-L90 HydrophobicContact CD2-CD2 3.8Å; L75-L90 HydrophobicContact CD2-CG 4.2Å; L75-L90 HydrophobicContact CG-CD2 3.98Å; I78-L90 HydrophobicContact CD1-CD2 4.02Å; V87-L90 HydrophobicContact CB-CD1 4.39Å; V87-L90 HydrophobicContact CG1-CD1 3.8Å; V87-L90 VanDerWaalsContact O-CB 3.25Å; V87-L90 WeakPolarHBondContact O-CB 3.25Å; V87-L90 VanDerWaalsContact O-CD1 3.3Å; V87-L90 WeakPolarHBondContact O-CD1 3.15Å; V87-L90 WeakPolarHBondContact O-CG 3.49Å; V87-L90 PolarHBondContact O-N 3.46Å; V87-L90 VanDerWaalsContact O-N 3.12Å |
| 91 | N | 79.8 | Confident | 82 | Confident | 49 Ų | 49 | 70 Ų | 70 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -10.1 | -179.8 | -65.2 | -10 | 0 | 0 | 0 | 112.5 | S3 T5 S89 | S3-N91 PolarHBondContact O-ND2 2.74Å; T5-N91 PolarHBondContact N-OD1 2.85Å; T5-N91 VanDerWaalsContact OG1-CG 3.3Å; T5-N91 PolarHBondContact OG1-OD1 3.39Å; S89-N91 VanDerWaalsContact C-N 3.33Å; S89-N91 PolarHBondContact O-N 3.19Å |
| 92 | S | 72.7 | Confident | 81.9 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 60% | 0.601 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -40.8 | -179.7 | 172.2 | 0 | 0 | 0 | 0 | 112.4 | S89 K94 | S89-S92 PolarHBondContact O-N 3.05Å; S92-K94 PolarHBondContact O-N 2.8Å |
| 93 | V | 75.8 | Confident | 80.8 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 24% | 0.242 | 38% | 0.377 | C | S | . | . | trans | -86 | 92.6 | -179.5 | -165.7 | 0 | 0 | 0 | 0 | 109.2 | L83 S89 L96 | L83-V93 HydrophobicContact CD1-CG1 4.05Å; L83-V93 HydrophobicContact CD1-CG2 4.15Å; S89-V93 PolarHBondContact O-N 3.44Å; V93-L96 HydrophobicContact CB-CD1 4.14Å; V93-L96 HydrophobicContact CB-CD2 4.38Å; V93-L96 HydrophobicContact CB-CG 3.99Å; V93-L96 HydrophobicContact CG1-CD1 4.4Å; V93-L96 HydrophobicContact CG1-CD2 3.86Å; V93-L96 HydrophobicContact CG1-CG 3.7Å | ||
| 94 | K | 67.9 | Low | 79.2 | Confident | 143 Ų | 143 | 71.8 Ų | 71.8 | 62% | 0.622 | 38% | 0.383 | S | S | * | . | trans | -72.9 | -31.7 | -175.7 | -63.6 | 176.6 | -176.3 | 174.5 | 0 | 112.4 | S92 E384 | S92-K94 PolarHBondContact O-N 2.8Å; K94-E384 IonicContact NZ-OE1 2.74Å; K94-E384 IonicContact NZ-OE2 3.81Å | ||
| 95 | D | 73.5 | Confident | 77.2 | Confident | 159 Ų | 159 | 77.4 Ų | 77.4 | 85% | 0.85 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -103.8 | 64.5 | -179.5 | -61.5 | -66.7 | 0 | 0 | 0 | 113.1 | ||
| 96 | L | 83.6 | Confident | 75.5 | Confident | 26 Ų | 26 | 82.4 Ų | 82.4 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 135.1 | 171.9 | -78.6 | 165.9 | 0 | 0 | 0 | 111.5 | K74 I78 L83 V93 | K74-L96 HydrophobicContact CG-CD1 3.98Å; I78-L96 HydrophobicContact CD1-CD1 4.26Å; I78-L96 HydrophobicContact CG1-CD1 3.66Å; I78-L96 HydrophobicContact CG1-CD2 3.96Å; I78-L96 HydrophobicContact CG1-CG 4.48Å; L83-L96 HydrophobicContact CD1-CD2 4.26Å; V93-L96 HydrophobicContact CB-CD1 4.14Å; V93-L96 HydrophobicContact CB-CD2 4.38Å; V93-L96 HydrophobicContact CB-CG 3.99Å; V93-L96 HydrophobicContact CG1-CD1 4.4Å; V93-L96 HydrophobicContact CG1-CD2 3.86Å; V93-L96 HydrophobicContact CG1-CG 3.7Å |
| 97 | P | 86.4 | Confident | 73.9 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 47% | 0.474 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 142.8 | 166.6 | 30.4 | -33.8 | 0 | 0 | 0 | 110.1 | A77 S81 | A77-P97 WeakPolarHBondContact CB-O 3.34Å; S81-P97 WeakPolarHBondContact OG-CD 3.46Å |
| 98 | L | 90.4 | Very high | 72.1 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 139.7 | 175.4 | -65.1 | 178.8 | 0 | 0 | 0 | 111 | V9 E10 Y13 R100 | V9-L98 HydrophobicContact CG1-CD1 4.14Å; E10-L98 HydrophobicContact CG-CD2 3.78Å; Y13-L98 HydrophobicContact CD1-CB 4.19Å; Y13-L98 HydrophobicContact CD1-CD1 4.09Å; Y13-L98 HydrophobicContact CD1-CD2 4.02Å; Y13-L98 HydrophobicContact CD1-CG 4.33Å; Y13-L98 HydrophobicContact CE1-CB 4.11Å; Y13-L98 HydrophobicContact CG-CD1 4.21Å; L98-R100 PolarHBondContact O-N 2.9Å |
| 99 | P | 91.5 | Very high | 70.3 | Confident | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.006 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 127.1 | -176.8 | 24.4 | -31.6 | 0 | 0 | 0 | 110.5 | Y13 Y14 L73 I76 A77 F101 | Y13-P99 HydrophobicContact CE1-CG 4.09Å; Y13-P99 PolarHBondContact OH-O 3.24Å; Y14-P99 HydrophobicContact CE1-CG 3.79Å; L73-P99 HydrophobicContact CB-CG 4.34Å; I76-P99 HydrophobicContact CB-CB 4.29Å; I76-P99 HydrophobicContact CG2-CB 3.72Å; A77-P99 HydrophobicContact CB-CB 4.23Å; P99-F101 HydrophobicContact CB-CE2 4Å; P99-F101 HydrophobicContact CB-CZ 4Å; P99-F101 HydrophobicContact CG-CE2 4.06Å; P99-F101 HydrophobicContact CG-CZ 4.29Å; P99-F101 WeakPolarHBondContact O-CD2 3.44Å; P99-F101 VanDerWaalsContact O-CE2 3.24Å; P99-F101 WeakPolarHBondContact O-CE2 3.35Å |
| 100 | R | 90.3 | Very high | 68.9 | Low | 188 Ų | 188 | 83.7 Ų | 83.7 | 71% | 0.709 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -94.1 | 123.6 | -170.4 | -63.6 | 172.3 | 60.1 | -165.7 | -2.8 | 110.3 | Q80 L98 | Q80-R100 PolarHBondContact NE2-O 3.49Å; L98-R100 PolarHBondContact O-N 2.9Å |
| 101 | F | 92.6 | Very high | 67 | Low | 33 Ų | 33 | 90.6 Ų | 90.6 | 15% | 0.145 | 48% | 0.481 | C | S | . | . | trans | -109.4 | 116.6 | 177.9 | -59.5 | -77.7 | 0 | 0 | 0 | 110.8 | Y13 L17 L38 A41 A42 L73 P99 V103 | Y13-F101 HydrophobicContact CE1-CE2 4.49Å; Y13-F101 WeakPolarHBondContact OH-CD2 3.42Å; L17-F101 HydrophobicContact CD1-CD2 4.39Å; L17-F101 HydrophobicContact CD1-CE2 3.68Å; L17-F101 HydrophobicContact CD1-CZ 4.35Å; L38-F101 HydrophobicContact CD1-CB 4.42Å; L38-F101 HydrophobicContact CD1-CD1 3.47Å; L38-F101 VanDerWaalsContact CD1-CD1 3.47Å; L38-F101 HydrophobicContact CD1-CD2 4.03Å; L38-F101 HydrophobicContact CD1-CE1 3.62Å; L38-F101 HydrophobicContact CD1-CE2 4.17Å; L38-F101 HydrophobicContact CD1-CG 3.68Å; L38-F101 HydrophobicContact CD1-CZ 3.98Å; L38-F101 HydrophobicContact CD2-CE1 4.5Å; L38-F101 HydrophobicContact CD2-CZ 4.5Å; L38-F101 HydrophobicContact CG-CD1 3.96Å; L38-F101 HydrophobicContact CG-CE1 3.65Å; L38-F101 HydrophobicContact CG-CZ 4.09Å; L38-F101 WeakPolarHBondContact O-CD1 3.3Å; L38-F101 WeakPolarHBondContact O-CE1 3.22Å; A41-F101 HydrophobicContact CB-CB 4.17Å; A41-F101 HydrophobicContact CB-CD1 4.29Å; A41-F101 CarbonylContact O-C 3.59Å; A41-F101 WeakPolarHBondContact O-CA 3.36Å; A42-F101 HydrophobicContact CB-CD1 4.04Å; A42-F101 HydrophobicContact CB-CE1 3.82Å; L73-F101 HydrophobicContact CD2-CE2 4.28Å; L73-F101 HydrophobicContact CD2-CZ 3.65Å; P99-F101 HydrophobicContact CB-CE2 4Å; P99-F101 HydrophobicContact CB-CZ 4Å; P99-F101 HydrophobicContact CG-CE2 4.06Å; P99-F101 HydrophobicContact CG-CZ 4.29Å; P99-F101 WeakPolarHBondContact O-CD2 3.44Å; P99-F101 VanDerWaalsContact O-CE2 3.24Å; P99-F101 WeakPolarHBondContact O-CE2 3.35Å; F101-V103 VanDerWaalsContact C-N 3.32Å; F101-V103 PolarHBondContact O-N 3.01Å | ||
| 102 | V | 85.8 | Confident | 65.1 | Low | 93 Ų | 93 | 96 Ų | 96 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | trans | -79.9 | 82.4 | 174.3 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | A41 Q43 G104 | A41-V102 PolarHBondContact O-N 2.94Å; Q43-V102 HydrophobicContact CB-CG2 4.42Å; V102-G104 PolarHBondContact O-N 3.37Å; V102-G104 VanDerWaalsContact O-N 3.16Å | ||
| 103 | V | 64.6 | Low | 63.6 | Low | 83 Ų | 83 | 95.1 Ų | 95.1 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | trans | -62.9 | 116.1 | 172.4 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | F101 E107 | F101-V103 VanDerWaalsContact C-N 3.32Å; F101-V103 PolarHBondContact O-N 3.01Å; V103-E107 HydrophobicContact CG1-CB 3.62Å; V103-E107 HydrophobicContact CG1-CG 4.47Å | ||
| 104 | G | 51.9 | Low | 61.9 | Low | 49 Ų | 49 | 97.3 Ų | 97.3 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | trans | -56.7 | 144 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V102 N106 E107 | V102-G104 PolarHBondContact O-N 3.37Å; V102-G104 VanDerWaalsContact O-N 3.16Å; G104-N106 PolarHBondContact O-N 2.86Å; G104-E107 PolarHBondContact O-N 3.13Å | ||
| 105 | K | 41.9 | Very low | 60.3 | Low | 200 Ų | 200 | 97.6 Ų | 97.6 | 87% | 0.87 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -3 | -166.2 | -155.4 | 174.6 | -179.5 | -178 | 0 | 115.9 | ||
| 106 | N | 47.8 | Very low | 58.7 | Low | 132 Ų | 132 | 100.2 Ų | 100.2 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -21.8 | -172.3 | -50.5 | 20.1 | 0 | 0 | 0 | 112.4 | G104 A108 E109 | G104-N106 PolarHBondContact O-N 2.86Å; N106-A108 VanDerWaalsContact C-N 3.3Å; N106-A108 PolarHBondContact O-N 3.17Å; N106-E109 PolarHBondContact O-N 3.16Å |
| 107 | E | 47.3 | Very low | 56.2 | Low | 58 Ų | 58 | 108.4 Ų | 108.4 | 27% | 0.271 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -77.8 | -12.4 | -176.7 | -147.8 | -165.8 | 80.9 | 0 | 0 | 113.6 | Y20 V103 G104 E109 R111 | Y20-E107 PolarHBondContact OH-OE2 3.35Å; V103-E107 HydrophobicContact CG1-CB 3.62Å; V103-E107 HydrophobicContact CG1-CG 4.47Å; G104-E107 PolarHBondContact O-N 3.13Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E107-R111 PolarHBondContact O-NH1 2.94Å; E107-R111 IonicContact OE1-CZ 3.86Å; E107-R111 IonicContact OE1-NH1 3.98Å; E107-R111 PolarHBondContact OE1-NH1 2.91Å; E107-R111 IonicContact OE1-NH2 3.61Å; E107-R111 PolarHBondContact OE1-NH2 2.86Å |
| 108 | A | 39.2 | Very low | 53.4 | Low | 67 Ų | 67 | 112.6 Ų | 112.6 | 55% | 0.554 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.3 | -34.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N106 | N106-A108 VanDerWaalsContact C-N 3.3Å; N106-A108 PolarHBondContact O-N 3.17Å |
| 109 | E | 36.3 | Very low | 50.9 | Low | 151 Ų | 151 | 113.2 Ų | 113.2 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.6 | -36.6 | 178.6 | -163 | 167.7 | 174.6 | 0 | 0 | 111.2 | N106 E107 R111 H112 A113 | N106-E109 PolarHBondContact O-N 3.16Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E109-R111 PolarHBondContact O-N 3.47Å; E109-H112 PolarHBondContact O-N 3.46Å; E109-A113 PolarHBondContact O-N 3.47Å |
| 110 | A | 45.9 | Very low | 48.1 | Very low | 55 Ų | 55 | 120.6 Ų | 120.6 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58 | -31.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H112 A114 | A110-H112 VanDerWaalsContact C-N 3.33Å; A110-A114 PolarHBondContact O-N 3.3Å |
| 111 | R | 42.9 | Very low | 45.3 | Very low | 154 Ų | 154 | 116.7 Ų | 116.7 | 58% | 0.581 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.2 | -21.3 | 174.3 | -73.7 | -179.8 | -179.9 | 72 | 2.2 | 113.8 | E107 E109 | E107-R111 PolarHBondContact O-NH1 2.94Å; E107-R111 IonicContact OE1-CZ 3.86Å; E107-R111 IonicContact OE1-NH1 3.98Å; E107-R111 PolarHBondContact OE1-NH1 2.91Å; E107-R111 IonicContact OE1-NH2 3.61Å; E107-R111 PolarHBondContact OE1-NH2 2.86Å; E109-R111 PolarHBondContact O-N 3.47Å |
| 112 | H | 39.1 | Very low | 42.5 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 75% | 0.745 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -87.5 | -30.8 | 171.9 | -87.3 | -87 | 0 | 0 | 0 | 112.8 | E109 A110 A114 | E109-H112 PolarHBondContact O-N 3.46Å; A110-H112 VanDerWaalsContact C-N 3.33Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 PolarHBondContact O-N 3.08Å |
| 113 | A | 40.2 | Very low | 40 | Very low | 68 Ų | 68 | 123.6 Ų | 123.6 | 56% | 0.562 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65.8 | -32.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E109 L115 | E109-A113 PolarHBondContact O-N 3.47Å; A113-L115 PolarHBondContact O-N 3.25Å; A113-L115 VanDerWaalsContact O-N 3.14Å |
| 114 | A | 39.8 | Very low | 38.3 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 72% | 0.719 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 0.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | A110 H112 | A110-A114 PolarHBondContact O-N 3.3Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 PolarHBondContact O-N 3.08Å |
| 115 | L | 36.3 | Very low | 37.3 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -3 | -177.9 | -146.3 | 76.6 | 0 | 0 | 0 | 114.7 | A113 | A113-L115 PolarHBondContact O-N 3.25Å; A113-L115 VanDerWaalsContact O-N 3.14Å |
| 116 | Y | 38.6 | Very low | 37.6 | Very low | 215 Ų | 215 | 131.5 Ų | 131.5 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | trans | -141.1 | 89.4 | 174.9 | -91.1 | -79.6 | 0 | 0 | 0 | 111.3 | ||||
| 117 | Q | 30.4 | Very low | 37 | Very low | 197 Ų | 197 | 129.4 Ų | 129.4 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | trans | -146.1 | 85.3 | 162.1 | -158.4 | 166 | 22.5 | 0 | 0 | 110.3 | ||||
| 118 | D | 28.7 | Very low | 37 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | -127.5 | 168.8 | 164 | -165 | 9.8 | 0 | 0 | 0 | 108.3 | ||||
| 119 | A | 37.4 | Very low | 36.5 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -55 | 152.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 120 | D | 32.8 | Very low | 36.3 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | cis | -162.8 | 179.1 | 46.5 | -142.1 | -46.6 | 0 | 0 | 0 | 113.3 | ||||
| 121 | S | 31.6 | Very low | 35.5 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -145.6 | 68.6 | 178.9 | 63.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 122 | Q | 34 | Very low | 35 | Very low | 204 Ų | 204 | 134.8 Ų | 134.8 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | -151.2 | 152.4 | 140.1 | -70 | -149.9 | -1.1 | 0 | 0 | 109.3 | ||||
| 123 | G | 32.3 | Very low | 35 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -155.4 | 166.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 124 | L | 29.9 | Very low | 35.3 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -163.2 | 101.6 | 178 | -125.1 | 118.4 | 0 | 0 | 0 | 113.9 | ||||
| 125 | Y | 31.1 | Very low | 35.2 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 57.1 | -178.9 | 158.8 | -65.3 | -82.4 | 0 | 0 | 0 | 118.3 | ||||
| 126 | P | 48.7 | Very low | 35.5 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | -127.4 | -175.3 | -83.4 | 39.3 | -22 | 0 | 0 | 0 | 116.7 | |||||
| 127 | A | 33.9 | Very low | 35.9 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -59.6 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 128 | P | 47.7 | Very low | 36 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | cis | -149.3 | 178.9 | 19.1 | 45 | -24.8 | 0 | 0 | 0 | 120.2 | ||||
| 129 | G | 29.1 | Very low | 36.2 | Very low | 61 Ų | 61 | 136.9 Ų | 136.9 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | trans | 140.9 | 114.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 130 | T | 31.3 | Very low | 35.9 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | 56.3 | 152 | 145.2 | 25.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 131 | A | 30.5 | Very low | 36 | Very low | 78 Ų | 78 | 137 Ų | 137 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | cis | -157.2 | 153.3 | 1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 132 | L | 31.2 | Very low | 36.2 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | 46.6 | 141.6 | 140.2 | -59.8 | 174.7 | 0 | 0 | 0 | 124.5 | ||||
| 133 | I | 39.6 | Very low | 36.1 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | trans | -94.4 | 145.9 | 179.8 | -78.1 | 163.7 | 0 | 0 | 0 | 110.8 | ||||
| 134 | P | 45.9 | Very low | 36.3 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -148 | 154.8 | 106.8 | 35.2 | -16.4 | 0 | 0 | 0 | 117.9 | |||||
| 135 | R | 38.6 | Very low | 36.4 | Very low | 233 Ų | 233 | 143 Ų | 143 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -88.7 | 155.3 | 169.3 | -72.5 | 172.3 | 164.2 | 164.1 | -7.4 | 112.1 | ||||
| 136 | P | 42.3 | Very low | 36.4 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -85.4 | 157.3 | 166.5 | 35 | -34.3 | 0 | 0 | 0 | 113.4 | ||||
| 137 | P | 47.4 | Very low | 36.7 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -121.2 | 168.6 | -177.4 | 42.2 | -32.6 | 0 | 0 | 0 | 116.2 | ||||
| 138 | G | 32.7 | Very low | 37.7 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 112.2 | 154.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 139 | R | 33.2 | Very low | 36.8 | Very low | 225 Ų | 225 | 135.6 Ų | 135.6 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | cis | -158 | 137.6 | -2.2 | -171.8 | -174.3 | -166.4 | -179 | 5.6 | 109.4 | ||||
| 140 | G | 29.5 | Very low | 36.9 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -122.6 | 147.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 141 | H | 35.5 | Very low | 36.9 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | -100.7 | 170.2 | -178.4 | -88.9 | -109.5 | 0 | 0 | 0 | 113.4 | ||||
| 142 | Q | 35.9 | Very low | 36.9 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -122.9 | 147.4 | -159.5 | -49.5 | 165.7 | 4.3 | 0 | 0 | 112.6 | ||||
| 143 | N | 31.5 | Very low | 37 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 65% | 0.647 | 78% | 0.78 | S | S | * | * | 177.2 | 139.9 | 122 | -102.6 | -45.8 | 0 | 0 | 0 | 115.5 | |||||
| 144 | K | 36.5 | Very low | 37.2 | Very low | 171 Ų | 171 | 135 Ų | 135 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 36.7 | 139.4 | 127.4 | -70.1 | 170.4 | -165 | 142.7 | 0 | 119.8 | |||||
| 145 | K | 31.9 | Very low | 36.5 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | cis | -146.4 | 170.4 | 4.3 | -83.6 | 140.1 | 174.7 | -172.7 | 0 | 105.6 | ||||
| 146 | G | 31.5 | Very low | 36.2 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | cis | 167.1 | 173.9 | 17.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 147 | P | 54.3 | Low | 35.6 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -114.2 | -159.6 | -158.6 | 45.8 | -36.1 | 0 | 0 | 0 | 112.1 | ||||
| 148 | P | 54.7 | Low | 34.8 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | cis | -126.5 | -164.8 | -4.9 | 31.9 | -6.5 | 0 | 0 | 0 | 112.3 | ||||
| 149 | S | 30.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | cis | -156.5 | 142.5 | 21.2 | -32.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 150 | S | 30.3 | Very low | 34.6 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | 63.7 | 137.8 | 104.2 | 82.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 151 | T | 31.7 | Very low | 35.6 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | cis | -160.5 | 155 | 31.8 | -50.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 152 | S | 30.3 | Very low | 35.3 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 56.3 | 119.4 | 155.9 | 57.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 153 | L | 33.3 | Very low | 35.1 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -90.8 | 162.2 | 132.2 | -63.1 | 169.3 | 0 | 0 | 0 | 108.4 | ||||
| 154 | P | 44.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | -123.6 | 168.4 | 74.1 | 4.1 | 20.7 | 0 | 0 | 0 | 113 | |||||
| 155 | A | 30.7 | Very low | 35.7 | Very low | 85 Ų | 85 | 127 Ų | 127 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | 66.9 | 151.6 | 54 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 156 | H | 32.6 | Very low | 35.6 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | cis | -160.3 | -178.7 | -2.5 | -137.1 | -145.9 | 0 | 0 | 0 | 107 | ||||
| 157 | E | 29 | Very low | 35.5 | Very low | 152 Ų | 152 | 130 Ų | 130 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | cis | -161.8 | -145.4 | 7.6 | -162.6 | 169.9 | 105.1 | 0 | 0 | 107.6 | ||||
| 158 | V | 29.5 | Very low | 34.3 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 74.6 | 123.6 | 152.9 | 163.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 159 | I | 31.9 | Very low | 32.8 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | cis | -153.1 | 156.3 | 0.8 | -134.5 | 168.9 | 0 | 0 | 0 | 113.3 | ||||
| 160 | Q | 31.5 | Very low | 33.3 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -93.4 | 166.7 | 170.1 | -111 | -173.4 | 76.1 | 0 | 0 | 110.1 | ||||
| 161 | P | 50.1 | Low | 33.1 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -157.4 | -174.5 | 45.9 | 44.6 | -22.6 | 0 | 0 | 0 | 118.9 | ||||
| 162 | L | 28.8 | Very low | 33.8 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | 66.2 | 134.3 | 143.9 | -125.9 | 68.5 | 0 | 0 | 0 | 122.4 | ||||
| 163 | A | 32 | Very low | 33.7 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -100.8 | 166.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 164 | P | 45.7 | Very low | 33.5 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | -140 | -162.6 | 102.2 | 38.6 | -24.3 | 0 | 0 | 0 | 113.9 | |||||
| 165 | S | 33.9 | Very low | 34.2 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -109 | -177 | -160.1 | -166 | 0 | 0 | 0 | 0 | 115 | ||||
| 166 | I | 31.6 | Very low | 34.2 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 99.8 | 90.7 | 164.3 | -52.6 | 172.3 | 0 | 0 | 0 | 117.3 | ||||
| 167 | E | 27.6 | Very low | 34.2 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | 41.9 | 116.7 | 118.8 | -166.8 | 174.8 | -177.8 | 0 | 0 | 122.3 | |||||
| 168 | A | 29.8 | Very low | 34.4 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -178.8 | 154.5 | 132.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 169 | Q | 24 | Very low | 35.4 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -92.8 | 165.4 | 168.9 | -104 | -86.2 | -62.9 | 0 | 0 | 110.3 | ||||
| 170 | P | 40.4 | Very low | 35.4 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | -152.6 | 173.8 | 55.3 | 41.6 | -19.2 | 0 | 0 | 0 | 120.7 | |||||
| 171 | E | 26 | Very low | 35.4 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | -56.2 | 176.2 | 156.8 | -81.9 | -79.7 | 131.6 | 0 | 0 | 114.4 | ||||
| 172 | P | 46.3 | Very low | 34.8 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | cis | -151.8 | -169.8 | 26.5 | 41 | -16.7 | 0 | 0 | 0 | 120.1 | ||||
| 173 | T | 27.9 | Very low | 36.4 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | 82.5 | 119.9 | 162.4 | 62.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 174 | S | 29.8 | Very low | 37.5 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | cis | 93.9 | 162.3 | 47.9 | -74.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 175 | P | 59.1 | Low | 36.6 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | cis | -119.1 | -149.2 | -0.8 | 48.4 | -34.2 | 0 | 0 | 0 | 109.3 | ||||
| 176 | V | 31.8 | Very low | 36.7 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | cis | -168.8 | 147.7 | -29.7 | 129.7 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 177 | I | 30.7 | Very low | 37.9 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | -134.3 | 150.2 | 55.5 | -85.1 | 94.4 | 0 | 0 | 0 | 112.1 | |||||
| 178 | S | 34 | Very low | 38.2 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -138.7 | 172.1 | 162.7 | -163.8 | 0 | 0 | 0 | 0 | 108.5 | H180 | S178-H180 PolarHBondContact OG-N 3Š| ||
| 179 | P | 50.2 | Low | 38.6 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | -150.6 | 132.7 | 89.4 | 30.7 | -9.4 | 0 | 0 | 0 | 117.6 | |||||
| 180 | H | 31.7 | Very low | 38.9 | Very low | 155 Ų | 155 | 124 Ų | 124 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | 57.9 | 160.7 | 133.7 | -58.1 | -58 | 0 | 0 | 0 | 122.3 | S178 | S178-H180 PolarHBondContact OG-N 3Š| ||
| 181 | Q | 32.9 | Very low | 38.8 | Very low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | cis | -170.1 | 164.1 | -33.6 | -167.5 | 159.5 | 73.6 | 0 | 0 | 108.5 | ||||
| 182 | S | 36.8 | Very low | 39 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | -113.8 | 177.8 | 179.1 | -41 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 183 | P | 63.5 | Low | 38.4 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | cis | -114.7 | -110.8 | -9.4 | 20.9 | 6.1 | 0 | 0 | 0 | 109.6 | ||||
| 184 | P | 53.1 | Low | 38.3 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | cis | -137.7 | -173.8 | -31 | 41.6 | -22.7 | 0 | 0 | 0 | 116.6 | ||||
| 185 | T | 26.8 | Very low | 38.3 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | 70.4 | 162.1 | 157.4 | 45.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 186 | S | 35.9 | Very low | 36.8 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -151 | 175.2 | 176.8 | -76 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 187 | P | 57.4 | Low | 36.6 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | cis | -111.3 | -124.7 | -13.4 | 18.9 | 6.7 | 0 | 0 | 0 | 109.5 | ||||
| 188 | H | 34.2 | Very low | 36.5 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | cis | -165.5 | 131.8 | -3.6 | -162.6 | 66.2 | 0 | 0 | 0 | 113.1 | ||||
| 189 | S | 37.7 | Very low | 36.2 | Very low | 75 Ų | 75 | 138.5 Ų | 138.5 | 52% | 0.524 | 73% | 0.732 | S | S | . | * | trans | 63.7 | 171.7 | 149.1 | 73.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 190 | W | 31.1 | Very low | 35.2 | Very low | 172 Ų | 172 | 137 Ų | 137 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | cis | -132.8 | -158.5 | 8.7 | -84.4 | 99.6 | 0 | 0 | 0 | 109 | K192 | W190-K192 HydrophobicContact CE3-CD 4.34Å; W190-K192 VanDerWaalsContact CE3-CE 3.47Å; W190-K192 HydrophobicContact CE3-CG 4.1Å; W190-K192 HydrophobicContact CZ3-CD 4.48Å; W190-K192 HydrophobicContact CZ3-CG 4.34Å | ||
| 191 | R | 39 | Very low | 35 | Very low | 200 Ų | 200 | 137.5 Ų | 137.5 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | cis | -145 | 138.4 | 10 | -67 | -179.5 | -174.2 | -21.1 | 5.5 | 108.5 | ||||
| 192 | K | 29.7 | Very low | 34.9 | Very low | 136 Ų | 136 | 133 Ų | 133 | 59% | 0.591 | 74% | 0.736 | S | S | * | * | 58.5 | 141.3 | 95.5 | -53.3 | 177.2 | -179 | 170.3 | 0 | 114.1 | W190 | W190-K192 HydrophobicContact CE3-CD 4.34Å; W190-K192 VanDerWaalsContact CE3-CE 3.47Å; W190-K192 HydrophobicContact CE3-CG 4.1Å; W190-K192 HydrophobicContact CZ3-CD 4.48Å; W190-K192 HydrophobicContact CZ3-CG 4.34Å | |||
| 193 | H | 33.1 | Very low | 34.4 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 79% | 0.787 | 74% | 0.737 | S | S | * | * | cis | -140.4 | 167.2 | 35.3 | -94.9 | -106.9 | 0 | 0 | 0 | 111.6 | ||||
| 194 | K | 25.6 | Very low | 32.9 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | cis | 74.2 | 102 | 7.3 | -162.7 | 162.3 | -177.8 | 167.8 | 0 | 117 | ||||
| 195 | R | 29.9 | Very low | 31.9 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | -176.2 | 128.9 | 78.6 | 176 | -155.3 | -79.8 | -94.4 | 7.5 | 113.4 | |||||
| 196 | Q | 26.7 | Very low | 32 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | trans | 54.5 | 168.5 | 147.6 | -60.8 | -104.2 | -83.5 | 0 | 0 | 122.7 | ||||
| 197 | H | 29.1 | Very low | 31.7 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | 78.4 | 123 | 168.1 | -46 | -66.3 | 0 | 0 | 0 | 114.6 | ||||
| 198 | S | 29.1 | Very low | 30.3 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | cis | 82 | 112.5 | 42 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 199 | G | 27.2 | Very low | 30.1 | Very low | 82 Ų | 82 | 138.7 Ų | 138.7 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | trans | 150.8 | 139.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 200 | G | 28.2 | Very low | 29.8 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -123.2 | 162.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 201 | N | 27.5 | Very low | 29.6 | Very low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | 64.6 | 155.5 | 147.1 | -158.6 | 29.5 | 0 | 0 | 0 | 120.5 | ||||
| 202 | A | 30.3 | Very low | 29.1 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | 71.2 | 140.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 203 | D | 27.9 | Very low | 29.4 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | cis | -162.5 | 167.2 | -7.8 | -138.9 | -50.2 | 0 | 0 | 0 | 111.9 | ||||
| 204 | R | 31.9 | Very low | 29.2 | Very low | 198 Ų | 198 | 128.1 Ų | 128.1 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | 61.6 | 161.8 | 158.1 | -72.2 | 178.9 | 139.4 | -166.4 | -4.1 | 118.1 | ||||
| 205 | Q | 30.7 | Very low | 29.3 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 56% | 0.556 | 77% | 0.767 | S | S | * | * | cis | -153.1 | 174.6 | -6.5 | -122.5 | 168 | -51.2 | 0 | 0 | 107.7 | ||||
| 206 | Q | 30.3 | Very low | 29.4 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | cis | -151.6 | 133.9 | 24.5 | -122.1 | 160.8 | 11.9 | 0 | 0 | 108.9 | ||||
| 207 | V | 28.8 | Very low | 29.3 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.655 | 77% | 0.766 | S | S | * | * | 67.8 | 107.3 | 100.9 | 174.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 208 | V | 28.9 | Very low | 29.2 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | 71.8 | 111.1 | 58.6 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 209 | A | 29.9 | Very low | 29.2 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | 179.9 | -178.2 | 78.3 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 210 | A | 30 | Very low | 29.2 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | cis | -171.8 | 177.8 | -35.8 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 211 | T | 27.8 | Very low | 30.2 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | cis | -157 | -176.5 | 25.8 | 52.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 212 | G | 29.3 | Very low | 30.3 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 81% | 0.814 | 75% | 0.746 | S | S | * | * | trans | 125.6 | 131.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 213 | A | 34.9 | Very low | 30.3 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -134 | 146.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 214 | V | 30.1 | Very low | 30.3 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 51.2 | 122.5 | 147.3 | 176.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 215 | W | 27.5 | Very low | 31.3 | Very low | 245 Ų | 245 | 132.8 Ų | 132.8 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | trans | -157.6 | 166.8 | 130.9 | -103.6 | 99.4 | 0 | 0 | 0 | 110.3 | ||||
| 216 | T | 31 | Very low | 31.5 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | trans | -122.3 | 154.1 | -169.7 | 42.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 217 | Q | 26 | Very low | 31.4 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | 59.1 | 118.3 | 148.6 | -79.6 | 178.6 | -35.9 | 0 | 0 | 122.8 | ||||
| 218 | F | 26.8 | Very low | 31.5 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | 87.6 | 124.9 | 122.1 | -152.6 | -120.6 | 0 | 0 | 0 | 122.3 | |||||
| 219 | R | 28.8 | Very low | 31.6 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | 115.5 | 143.6 | 129.7 | -143.8 | 179.7 | 172.5 | 128.3 | 14 | 121.9 | |||||
| 220 | E | 27.8 | Very low | 31.6 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 59% | 0.593 | 78% | 0.776 | S | S | * | * | trans | 70.9 | 164.1 | 152.9 | -116.2 | 37.3 | 98.6 | 0 | 0 | 118.4 | ||||
| 221 | P | 47.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -131 | -177.4 | -0.6 | 37.6 | -17.5 | 0 | 0 | 0 | 117.7 | ||||
| 222 | Q | 29.4 | Very low | 32 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | -81.4 | 171 | 178.7 | -56.2 | -177.4 | 19.8 | 0 | 0 | 116.5 | ||||
| 223 | T | 30.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | -166.6 | 159.6 | 118.9 | 13.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 224 | G | 29.1 | Very low | 31.8 | Very low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -96.2 | -158.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 225 | P | 53 | Low | 31.9 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | cis | -147.8 | 170.6 | 36.9 | 43.1 | -24 | 0 | 0 | 0 | 119.7 | ||||
| 226 | V | 33.8 | Very low | 32.1 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 62.1 | 132.4 | 148.9 | 145.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 227 | T | 29.7 | Very low | 33 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | cis | -151.5 | 173.7 | -5.6 | 24.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 228 | G | 31.1 | Very low | 34.9 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | cis | 122.9 | 63.8 | -10.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 229 | D | 29.8 | Very low | 35.9 | Very low | 169 Ų | 169 | 131 Ų | 131 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -156.3 | 155.4 | 168.8 | -139.3 | -26.3 | 0 | 0 | 0 | 113.9 | ||||
| 230 | G | 31 | Very low | 37.5 | Very low | 67 Ų | 67 | 127.4 Ų | 127.4 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 104.5 | 85.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 231 | M | 35.1 | Very low | 37.9 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -46.3 | 141.4 | 171.2 | -78.2 | 76.5 | 76.9 | 0 | 0 | 120.7 | ||||
| 232 | W | 30.7 | Very low | 38.4 | Very low | 248 Ų | 248 | 129 Ų | 129 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | 160.6 | 170.4 | 101.1 | -94.8 | -24.5 | 0 | 0 | 0 | 116.3 | |||||
| 233 | S | 32.9 | Very low | 40.1 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -122.6 | 156.9 | -166.5 | -46.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 234 | S | 27.7 | Very low | 39.9 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -169.3 | 128.5 | 146.3 | -82 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 235 | H | 30.3 | Very low | 39.8 | Very low | 168 Ų | 168 | 130 Ų | 130 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | 71.9 | 129 | 65.6 | -61.5 | -50.2 | 0 | 0 | 0 | 112.8 | |||||
| 236 | S | 32.3 | Very low | 38.7 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -157.8 | -151.5 | -1.7 | -148 | 0 | 0 | 0 | 0 | 112 | ||||
| 237 | P | 50.1 | Low | 38.3 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -118.9 | -177.8 | -134.9 | 33.5 | -9.5 | 0 | 0 | 0 | 117.7 | ||||
| 238 | P | 65.9 | Low | 38.2 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -106.5 | 176.6 | -167.2 | 41.7 | -36.3 | 0 | 0 | 0 | 116.5 | ||||
| 239 | P | 48.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | -145.2 | 176.9 | 128.5 | 39.5 | -24.5 | 0 | 0 | 0 | 115.7 | |||||
| 240 | P | 60.8 | Low | 38 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -128.1 | 149.8 | -169.1 | 39.9 | -24.5 | 0 | 0 | 0 | 119 | ||||
| 241 | L | 37.6 | Very low | 37.9 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 65.6 | 167.6 | 153.9 | -61.8 | 169.2 | 0 | 0 | 0 | 119.8 | ||||
| 242 | P | 58.1 | Low | 37.7 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | cis | -120.8 | -106.1 | -34.8 | 24.7 | -1.3 | 0 | 0 | 0 | 117.1 | ||||
| 243 | P | 63.6 | Low | 37.7 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | -136.1 | 165.8 | -124.3 | 42.9 | -23.5 | 0 | 0 | 0 | 120.4 | |||||
| 244 | S | 26.7 | Very low | 37.6 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -165.4 | 148.9 | 157.3 | -15.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 245 | Q | 27.7 | Very low | 37.8 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | 58 | 135.5 | 60.5 | -68.9 | -151.4 | 80 | 0 | 0 | 113 | |||||
| 246 | E | 28.9 | Very low | 39 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | cis | -169.3 | -163.3 | 10.3 | 51.3 | -170.8 | 98.4 | 0 | 0 | 110.9 | ||||
| 247 | S | 26.4 | Very low | 40.4 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | 108.2 | 101.2 | 149.6 | -155 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 248 | W | 26.2 | Very low | 39.4 | Very low | 214 Ų | 214 | 129.1 Ų | 129.1 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | 49.8 | 104.8 | 128.6 | -59.2 | 100.4 | 0 | 0 | 0 | 125.7 | |||||
| 249 | V | 30 | Very low | 37.7 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | trans | 39.6 | 128.8 | 132.6 | -62.5 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 250 | S | 27.7 | Very low | 36.9 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | 55.6 | 128.1 | 125.9 | -54.2 | 0 | 0 | 0 | 0 | 125 | |||||
| 251 | F | 28.4 | Very low | 35.5 | Very low | 190 Ų | 190 | 130.5 Ų | 130.5 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | -163.9 | 122.7 | 129.6 | -132.7 | -117.5 | 0 | 0 | 0 | 116.7 | |||||
| 252 | T | 30.3 | Very low | 36 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | 60.8 | 149 | 146.6 | 54.9 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 253 | A | 32.3 | Very low | 34.7 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | 68.4 | 134.6 | 173 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 254 | D | 29 | Very low | 33.2 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | cis | 83.2 | 140.7 | 25.9 | -150.6 | 56.1 | 0 | 0 | 0 | 113.8 | ||||
| 255 | T | 32.8 | Very low | 33.7 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | cis | -144.8 | 147.9 | 25.9 | -41.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 256 | P | 56.4 | Low | 35.1 | Very low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | trans | -87.9 | -165.5 | 172.2 | 39.5 | -39.9 | 0 | 0 | 0 | 112.9 | ||||
| 257 | P | 60.9 | Low | 35 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | cis | -139.7 | -147.1 | 5.6 | 45.8 | -24.5 | 0 | 0 | 0 | 115.5 | ||||
| 258 | S | 29 | Very low | 35.5 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 74.2 | 139.9 | 178.8 | -95.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 259 | S | 30.1 | Very low | 35.8 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | cis | -170.4 | 168.3 | 1.3 | -112.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 260 | T | 31.7 | Very low | 36 | Very low | 127 Ų | 127 | 125 Ų | 125 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | cis | -160.1 | -139.9 | 0.8 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 261 | L | 32.1 | Very low | 36.1 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -119.8 | -175.5 | -173.1 | -60.6 | 176 | 0 | 0 | 0 | 111.6 | ||||
| 262 | P | 47.9 | Very low | 36.3 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | cis | -147.7 | 168.6 | 10.2 | 45.9 | -25.9 | 0 | 0 | 0 | 120.9 | ||||
| 263 | A | 30.9 | Very low | 36.4 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | trans | 51.4 | 118.6 | 134.7 | 0 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 264 | M | 31.6 | Very low | 36.5 | Very low | 166 Ų | 166 | 126.8 Ų | 126.8 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | 74.8 | 139.9 | 120.4 | -67.6 | 179.7 | 62.4 | 0 | 0 | 125.6 | |||||
| 265 | H | 36.9 | Very low | 37 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 92.7 | 165.2 | 143.7 | -110.7 | -134.3 | 0 | 0 | 0 | 119.7 | ||||
| 266 | P | 57.4 | Low | 37.2 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | -141.9 | -164 | -107.7 | 45.3 | -24.8 | 0 | 0 | 0 | 117.2 | |||||
| 267 | S | 28.2 | Very low | 36.3 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 81.7 | 106.5 | 150.6 | -66.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 268 | S | 35.6 | Very low | 35.1 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 41.1 | 111 | 120.8 | 179.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 269 | V | 32.6 | Very low | 35.3 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -151.8 | 129.3 | 138.5 | -91.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 270 | Q | 34.1 | Very low | 35.5 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | 85.1 | 147 | 58.7 | -80.2 | -161.8 | -27.9 | 0 | 0 | 115.4 | |||||
| 271 | E | 29.9 | Very low | 35.7 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 73.5 | 153.8 | 175.4 | -53.8 | -163.8 | 116.2 | 0 | 0 | 118.8 | ||||
| 272 | S | 32.1 | Very low | 35.7 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | cis | -169.2 | 147.1 | -34 | -95.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 273 | T | 33 | Very low | 35.4 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | 58.9 | 120.7 | 151.6 | -54.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 274 | T | 33.7 | Very low | 35.9 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | -178.1 | 141.7 | 122.2 | -76.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 275 | I | 40.1 | Very low | 36.2 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | -97.2 | 140.4 | 178.5 | -64.8 | 173.1 | 0 | 0 | 0 | 111.2 | ||||
| 276 | R | 36.8 | Very low | 36 | Very low | 249 Ų | 249 | 133 Ų | 133 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | trans | -155.2 | 139.6 | 150.1 | -112.8 | 167.6 | -167 | 169.2 | 5.1 | 112.6 | ||||
| 277 | T | 37.9 | Very low | 35.2 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -93.2 | 131.6 | -175.6 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 278 | V | 35.9 | Very low | 35.9 | Very low | 148 Ų | 148 | 138 Ų | 138 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -156.7 | 152.8 | 141.5 | -94.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 279 | A | 33.3 | Very low | 36.1 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -118.5 | 170.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 280 | S | 33.3 | Very low | 36 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | 72.9 | 80.9 | 160.5 | -53.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 281 | A | 36.5 | Very low | 36 | Very low | 107 Ų | 107 | 141 Ų | 141 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | trans | -161.7 | 55.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 282 | A | 32.4 | Very low | 36.3 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | trans | -145.9 | 1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | T284 | A282-T284 VanDerWaalsContact C-N 3.26Å; A282-T284 PolarHBondContact O-N 3.48Å | ||
| 283 | T | 41.5 | Very low | 36.5 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 67.8 | -178.3 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 284 | T | 41 | Very low | 36.8 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151 | -6.2 | 179.7 | 164.4 | 0 | 0 | 0 | 0 | 115 | A282 | A282-T284 VanDerWaalsContact C-N 3.26Å; A282-T284 PolarHBondContact O-N 3.48Å |
| 285 | N | 39 | Very low | 37.4 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -121.5 | 4.9 | -176.1 | -110.3 | -26.4 | 0 | 0 | 0 | 115.9 | ||
| 286 | E | 31.6 | Very low | 38.6 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -94.5 | -6 | -179.2 | -70.8 | -168.8 | 102.3 | 0 | 0 | 115 | ||
| 287 | I | 41.5 | Very low | 40.2 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -73.9 | -26.5 | 178.6 | -91.5 | 58.9 | 0 | 0 | 0 | 112.4 | R289 | I287-R289 PolarHBondContact O-N 3.03Š|
| 288 | Q | 41.5 | Very low | 42.1 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 72% | 0.72 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -90.1 | 5.5 | -167.7 | -157.6 | 57.4 | 32.8 | 0 | 0 | 115.1 | ||
| 289 | R | 40.3 | Very low | 44.2 | Very low | 213 Ų | 213 | 118.8 Ų | 118.8 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -136.3 | 36.6 | -176.6 | -58.8 | -161.2 | 82.1 | -99.7 | -1.4 | 115.1 | I287 | I287-R289 PolarHBondContact O-N 3.03Š|
| 290 | Q | 31.7 | Very low | 46.6 | Very low | 172 Ų | 172 | 116.6 Ų | 116.6 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -125.6 | 38.6 | 173.3 | -63.1 | -166.8 | 2.6 | 0 | 0 | 113.2 | ||
| 291 | S | 33 | Very low | 49 | Very low | 93 Ų | 93 | 112.7 Ų | 112.7 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | trans | -147.1 | 82.6 | 175.4 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 292 | S | 36.3 | Very low | 50.9 | Low | 110 Ų | 110 | 114 Ų | 114 | 77% | 0.769 | 61% | 0.612 | S | S | * | * | trans | -153.1 | 38.8 | 178 | 70.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 293 | G | 36.2 | Very low | 53.4 | Low | 76 Ų | 76 | 116.9 Ų | 116.9 | 78% | 0.784 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -112.7 | -0.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 294 | Y | 40 | Very low | 55.6 | Low | 217 Ų | 217 | 113.2 Ų | 113.2 | 85% | 0.851 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -128.7 | -2.3 | -171.1 | -87.7 | -82.9 | 0 | 0 | 0 | 114.3 | D296 | Y294-D296 VanDerWaalsContact C-N 3.34Å; Y294-D296 PolarHBondContact O-N 2.79Å; Y294-D296 VanDerWaalsContact O-N 3.13Å |
| 295 | D | 46.3 | Very low | 57.9 | Low | 114 Ų | 114 | 112.3 Ų | 112.3 | 61% | 0.61 | 57% | 0.568 | S | S | * | * | trans | -87.2 | 73.8 | 175.3 | -86.6 | -78.8 | 0 | 0 | 0 | 111.4 | Y376 | D295-Y376 PolarHBondContact OD1-OH 3.21Š| ||
| 296 | D | 65.1 | Low | 60.3 | Low | 63 Ų | 63 | 110 Ų | 110 | 34% | 0.337 | 55% | 0.553 | S | S | . | * | trans | -102.5 | 103.8 | 143.4 | -179.1 | -9.5 | 0 | 0 | 0 | 106.1 | Y294 W298 K299 | Y294-D296 VanDerWaalsContact C-N 3.34Å; Y294-D296 PolarHBondContact O-N 2.79Å; Y294-D296 VanDerWaalsContact O-N 3.13Å; D296-W298 PolarHBondContact O-N 3.33Å; D296-W298 PolarHBondContact OD1-N 2.75Å; D296-K299 HydrophobicContact CB-CB 4.28Å; D296-K299 HydrophobicContact CB-CD 3.85Å; D296-K299 HydrophobicContact CB-CG 3.98Å; D296-K299 PolarHBondContact O-N 2.77Å; D296-K299 WeakPolarHBondContact OD2-CE 3.22Å; D296-K299 WeakPolarHBondContact OD2-CG 3.27Å | ||
| 297 | P | 69 | Low | 63.3 | Low | 35 Ų | 35 | 109 Ų | 109 | 23% | 0.227 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -5.5 | -175.7 | -26.8 | 36.7 | 0 | 0 | 0 | 115.5 | H367 Y376 | P297-H367 PolarHBondContact O-NE2 2.82Å; P297-Y376 HydrophobicContact CB-CD1 4.12Å; P297-Y376 HydrophobicContact CB-CD2 3.87Å; P297-Y376 HydrophobicContact CB-CE1 4.03Å; P297-Y376 HydrophobicContact CB-CE2 3.75Å; P297-Y376 HydrophobicContact CB-CG 4.05Å; P297-Y376 HydrophobicContact CG-CD1 4.02Å; P297-Y376 HydrophobicContact CG-CD2 4.43Å; P297-Y376 HydrophobicContact CG-CE1 3.55Å; P297-Y376 HydrophobicContact CG-CE2 3.99Å; P297-Y376 HydrophobicContact CG-CG 4.44Å |
| 298 | W | 79 | Confident | 65.8 | Low | 46 Ų | 46 | 102 Ų | 102 | 17% | 0.174 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 15.1 | -178.5 | -45.8 | 108.4 | 0 | 0 | 0 | 113 | D296 L368 A371 D377 P379 P383 S385 L386 | D296-W298 PolarHBondContact O-N 3.33Å; D296-W298 PolarHBondContact OD1-N 2.75Å; W298-L368 HydrophobicContact CE3-CD2 3.93Å; W298-L368 HydrophobicContact CZ3-CD2 3.61Å; W298-A371 HydrophobicContact CE3-CB 4.26Å; W298-A371 HydrophobicContact CH2-CB 4.11Å; W298-A371 HydrophobicContact CZ3-CB 3.62Å; W298-D377 VanDerWaalsContact CH2-O 3.24Å; W298-D377 WeakPolarHBondContact CH2-O 3.42Å; W298-D377 WeakPolarHBondContact CZ2-O 3.48Å; W298-P379 HydrophobicContact CZ3-CG 4.48Å; W298-P383 HydrophobicContact CB-CB 4.1Å; W298-P383 HydrophobicContact CB-CG 3.88Å; W298-P383 HydrophobicContact CD2-CG 4.23Å; W298-P383 HydrophobicContact CG-CG 3.83Å; W298-S385 VanDerWaalsContact O-CB 3.32Å; W298-S385 WeakPolarHBondContact O-CB 3.27Å; W298-S385 PolarHBondContact O-OG 3.35Å; W298-L386 HydrophobicContact CB-CD1 4.3Å; W298-L386 HydrophobicContact CE3-CD1 4.26Å; W298-L386 VanDerWaalsContact O-CD2 3.29Å; W298-L386 WeakPolarHBondContact O-CD2 3.29Å; W298-L386 WeakPolarHBondContact O-CG 3.39Å |
| 299 | K | 79.5 | Confident | 68.2 | Low | 92 Ų | 92 | 96 Ų | 96 | 40% | 0.4 | 48% | 0.479 | S | S | . | . | trans | -104.9 | 119 | 170.7 | -78.8 | -179.1 | -175 | -71 | 0 | 111.2 | D296 T301 Q304 H367 | D296-K299 HydrophobicContact CB-CB 4.28Å; D296-K299 HydrophobicContact CB-CD 3.85Å; D296-K299 HydrophobicContact CB-CG 3.98Å; D296-K299 PolarHBondContact O-N 2.77Å; D296-K299 WeakPolarHBondContact OD2-CE 3.22Å; D296-K299 WeakPolarHBondContact OD2-CG 3.27Å; K299-T301 PolarHBondContact O-N 3.17Å; K299-Q304 PolarHBondContact O-OE1 3.35Å; K299-H367 PolarHBondContact O-CE1 2.93Å | ||
| 300 | I | 83.4 | Confident | 70.7 | Confident | 46 Ų | 46 | 89.4 Ų | 89.4 | 24% | 0.236 | 46% | 0.46 | C | S | . | . | trans | -74.9 | 119.7 | 167.9 | -50.6 | 179.6 | 0 | 0 | 0 | 108.8 | Q304 R305 Y308 C363 H367 L386 | I300-Q304 HydrophobicContact CG2-CB 3.87Å; I300-R305 HydrophobicContact CG2-CB 3.72Å; I300-R305 HydrophobicContact CG2-CG 4.37Å; I300-Y308 HydrophobicContact CB-CE2 4.45Å; I300-Y308 HydrophobicContact CD1-CD2 4.23Å; I300-Y308 HydrophobicContact CD1-CE2 4.05Å; I300-Y308 HydrophobicContact CG1-CE2 4.07Å; I300-Y308 HydrophobicContact CG2-CD2 3.91Å; I300-Y308 HydrophobicContact CG2-CE2 3.62Å; I300-C363 HydrophobicContact CD1-CB 4Å; I300-H367 HydrophobicContact CD1-CB 4.02Å; I300-H367 HydrophobicContact CG1-CB 3.98Å; I300-L386 HydrophobicContact CD1-CD2 3.8Å; I300-L386 HydrophobicContact CG1-CD2 3.61Å | ||
| 301 | T | 84.4 | Confident | 73.8 | Confident | 40 Ų | 40 | 83.3 Ų | 83.3 | 25% | 0.245 | 43% | 0.432 | C | S | . | . | trans | -76.7 | 162 | 170.4 | 82.2 | 0 | 0 | 0 | 0 | 111.3 | K299 E303 Q304 R305 | K299-T301 PolarHBondContact O-N 3.17Å; T301-E303 WeakPolarHBondContact CB-OE2 3.43Å; T301-E303 PolarHBondContact O-N 3.09Å; T301-E303 PolarHBondContact OG1-OE2 3.2Å; T301-Q304 HydrophobicContact CG2-CG 4.47Å; T301-Q304 VanDerWaalsContact N-OE1 3.11Å; T301-Q304 WeakPolarHBondContact O-CB 3.45Å; T301-Q304 PolarHBondContact O-N 3.01Å; T301-Q304 VanDerWaalsContact O-N 3.12Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.49Å; T301-Q304 PolarHBondContact OG1-N 2.77Å; T301-R305 PolarHBondContact O-N 2.92Å | ||
| 302 | D | 76.2 | Confident | 76.7 | Confident | 134 Ų | 134 | 78.9 Ų | 78.9 | 72% | 0.717 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.2 | -34.7 | 179.2 | -74.4 | -42.9 | 0 | 0 | 0 | 112.3 | Q306 | D302-Q306 WeakPolarHBondContact O-CB 3.45Å; D302-Q306 PolarHBondContact O-N 2.98Å |
| 303 | E | 84.2 | Confident | 79.4 | Confident | 140 Ų | 140 | 78 Ų | 78 | 65% | 0.654 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.5 | -42 | 175.1 | -51.2 | 76.5 | -167.8 | 0 | 0 | 111.7 | T301 Q306 Y307 | T301-E303 WeakPolarHBondContact CB-OE2 3.43Å; T301-E303 PolarHBondContact O-N 3.09Å; T301-E303 PolarHBondContact OG1-OE2 3.2Å; E303-Q306 PolarHBondContact O-N 2.83Å; E303-Y307 PolarHBondContact O-N 2.93Å |
| 304 | Q | 88.4 | Confident | 82.1 | Confident | 69 Ų | 69 | 79 Ų | 79 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64 | -46 | 174.5 | -69.9 | 174.7 | -4.1 | 0 | 0 | 110.8 | K299 I300 T301 Q306 Y307 Y308 | K299-Q304 PolarHBondContact O-OE1 3.35Å; I300-Q304 HydrophobicContact CG2-CB 3.87Å; T301-Q304 HydrophobicContact CG2-CG 4.47Å; T301-Q304 VanDerWaalsContact N-OE1 3.11Å; T301-Q304 WeakPolarHBondContact O-CB 3.45Å; T301-Q304 PolarHBondContact O-N 3.01Å; T301-Q304 VanDerWaalsContact O-N 3.12Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.49Å; T301-Q304 PolarHBondContact OG1-N 2.77Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 2.98Å; Q304-Y307 CarbonylContact O-C 3.58Å; Q304-Y307 WeakPolarHBondContact O-CB 3.07Å; Q304-Y307 PolarHBondContact O-N 3.3Å; Q304-Y307 VanDerWaalsContact O-N 3.1Å; Q304-Y308 HydrophobicContact CB-CE1 4.35Å; Q304-Y308 HydrophobicContact CB-CE2 4.22Å; Q304-Y308 WeakPolarHBondContact O-CD1 3.38Å; Q304-Y308 PolarHBondContact O-N 3.3Å |
| 305 | R | 89.1 | Confident | 84.6 | Confident | 102 Ų | 102 | 70.9 Ų | 70.9 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 176.5 | -161.1 | 178 | -173.6 | -178.5 | 1.9 | 110.7 | I300 T301 Y307 Y308 I309 D360 | I300-R305 HydrophobicContact CG2-CB 3.72Å; I300-R305 HydrophobicContact CG2-CG 4.37Å; T301-R305 PolarHBondContact O-N 2.92Å; R305-Y307 VanDerWaalsContact C-N 3.33Å; R305-Y307 PolarHBondContact O-N 3.22Å; R305-Y308 PolarHBondContact O-N 2.99Å; R305-I309 HydrophobicContact CG-CD1 4.11Å; R305-I309 WeakPolarHBondContact O-CB 3.44Å; R305-I309 WeakPolarHBondContact O-CD1 3.26Å; R305-I309 VanDerWaalsContact O-CG1 3.22Å; R305-I309 WeakPolarHBondContact O-CG1 3.11Å; R305-I309 PolarHBondContact O-N 2.98Å; R305-D360 IonicContact CZ-OD1 3.84Å; R305-D360 IonicContact NE-OD1 2.65Å; R305-D360 VanDerWaalsContact NH2-CG 3.33Å; R305-D360 IonicContact NH2-OD1 3.74Å; R305-D360 PolarHBondContact NH2-OD1 2.86Å; R305-D360 IonicContact NH2-OD2 3.09Å; R305-D360 PolarHBondContact NH2-OD2 3.01Å |
| 306 | Q | 90.1 | Very high | 86.7 | Confident | 94 Ų | 94 | 68 Ų | 68 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 176.2 | -173 | 56 | 88.9 | 0 | 0 | 112.6 | D302 E303 Q304 N310 | D302-Q306 WeakPolarHBondContact O-CB 3.45Å; D302-Q306 PolarHBondContact O-N 2.98Å; E303-Q306 PolarHBondContact O-N 2.83Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 2.98Å; Q306-N310 PolarHBondContact NE2-OD1 3.25Å; Q306-N310 PolarHBondContact O-N 3.42Å; Q306-N310 VanDerWaalsContact O-N 3.16Å; Q306-N310 PolarHBondContact O-ND2 3.4Å |
| 307 | Y | 93.5 | Very high | 87.9 | Confident | 125 Ų | 125 | 69.9 Ų | 69.9 | 49% | 0.49 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 170.6 | 176.5 | -109.7 | 0 | 0 | 0 | 112 | E303 Q304 R305 N310 Q311 F366 | E303-Y307 PolarHBondContact O-N 2.93Å; Q304-Y307 CarbonylContact O-C 3.58Å; Q304-Y307 WeakPolarHBondContact O-CB 3.07Å; Q304-Y307 PolarHBondContact O-N 3.3Å; Q304-Y307 VanDerWaalsContact O-N 3.1Å; R305-Y307 VanDerWaalsContact C-N 3.33Å; R305-Y307 PolarHBondContact O-N 3.22Å; Y307-N310 CarbonylContact O-C 3.58Å; Y307-N310 WeakPolarHBondContact O-CA 3.27Å; Y307-N310 WeakPolarHBondContact O-CB 3.18Å; Y307-N310 PolarHBondContact O-N 3.45Å; Y307-N310 VanDerWaalsContact O-N 3.11Å; Y307-Q311 HydrophobicContact CD1-CG 4.46Å; Y307-Q311 HydrophobicContact CE1-CG 4Å; Y307-Q311 HydrophobicContact CE2-CG 4.28Å; Y307-Q311 PolarHBondContact O-N 3.31Å; Y307-F366 HydrophobicContact CD1-CE1 4.35Å; Y307-F366 AromaticContact CE1-CE1 3.9Å; Y307-F366 HydrophobicContact CE1-CE1 3.9Å; Y307-F366 HydrophobicContact CE1-CZ 4.12Å |
| 308 | Y | 93.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 72.1 Ų | 72.1 | 2% | 0.024 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 178.6 | -56.1 | -13.4 | 0 | 0 | 0 | 111.8 | I300 Q304 R305 N310 Q311 F312 C363 F366 H367 | I300-Y308 HydrophobicContact CB-CE2 4.45Å; I300-Y308 HydrophobicContact CD1-CD2 4.23Å; I300-Y308 HydrophobicContact CD1-CE2 4.05Å; I300-Y308 HydrophobicContact CG1-CE2 4.07Å; I300-Y308 HydrophobicContact CG2-CD2 3.91Å; I300-Y308 HydrophobicContact CG2-CE2 3.62Å; Q304-Y308 HydrophobicContact CB-CE1 4.35Å; Q304-Y308 HydrophobicContact CB-CE2 4.22Å; Q304-Y308 WeakPolarHBondContact O-CD1 3.38Å; Q304-Y308 PolarHBondContact O-N 3.3Å; R305-Y308 PolarHBondContact O-N 2.99Å; Y308-N310 PolarHBondContact O-N 3.47Å; Y308-Q311 PolarHBondContact O-N 3.2Å; Y308-F312 WeakPolarHBondContact O-CB 3.26Å; Y308-F312 PolarHBondContact O-N 3.29Å; Y308-C363 HydrophobicContact CD2-CB 4.29Å; Y308-F366 AromaticContact CD1-CD1 3.26Å; Y308-F366 HydrophobicContact CD1-CD1 3.26Å; Y308-F366 AromaticContact CD1-CE1 3.5Å; Y308-F366 HydrophobicContact CD1-CE1 3.5Å; Y308-F366 VanDerWaalsContact CD1-CE1 3.5Å; Y308-F366 HydrophobicContact CD1-CG 4.39Å; Y308-F366 HydrophobicContact CD2-CD1 4.46Å; Y308-F366 AromaticContact CE1-CD1 3.4Å; Y308-F366 HydrophobicContact CE1-CD1 3.4Å; Y308-F366 VanDerWaalsContact CE1-CD1 3.4Å; Y308-F366 AromaticContact CE1-CE1 3.55Å; Y308-F366 HydrophobicContact CE1-CE1 3.55Å; Y308-F366 AromaticContact CG-CD1 3.86Å; Y308-F366 HydrophobicContact CG-CD1 3.86Å; Y308-F366 HydrophobicContact CG-CE1 4.48Å; Y308-H367 HydrophobicContact CE2-CB 3.79Å; Y308-H367 AromaticContact CE2-ND1 3.73Å; Y308-H367 AromaticContact CZ-ND1 3.77Å; Y308-H367 PolarHBondContact OH-ND1 3.21Å |
| 309 | I | 92.3 | Very high | 89.3 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.8 | -38.6 | 169.7 | -71.1 | 162.2 | 0 | 0 | 0 | 110.9 | R305 K313 L319 L359 | R305-I309 HydrophobicContact CG-CD1 4.11Å; R305-I309 WeakPolarHBondContact O-CB 3.44Å; R305-I309 WeakPolarHBondContact O-CD1 3.26Å; R305-I309 VanDerWaalsContact O-CG1 3.22Å; R305-I309 WeakPolarHBondContact O-CG1 3.11Å; R305-I309 PolarHBondContact O-N 2.98Å; I309-K313 HydrophobicContact CG2-CD 4.46Å; I309-K313 VanDerWaalsContact O-CG 3.29Å; I309-K313 WeakPolarHBondContact O-CG 3.14Å; I309-K313 PolarHBondContact O-N 2.9Å; I309-K313 VanDerWaalsContact O-N 3.15Å; I309-L319 HydrophobicContact CG2-CD1 4.44Å; I309-L319 HydrophobicContact CG2-CD2 4.1Å; I309-L359 HydrophobicContact CG1-CD1 4.07Å; I309-L359 HydrophobicContact CG1-CD2 4.34Å |
| 310 | N | 94.1 | Very high | 89.6 | Confident | 75 Ų | 75 | 74.7 Ų | 74.7 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -74.3 | -30.2 | 177.3 | -68.7 | -18.8 | 0 | 0 | 0 | 112.7 | Q306 Y307 Y308 | Q306-N310 PolarHBondContact NE2-OD1 3.25Å; Q306-N310 PolarHBondContact O-N 3.42Å; Q306-N310 VanDerWaalsContact O-N 3.16Å; Q306-N310 PolarHBondContact O-ND2 3.4Å; Y307-N310 CarbonylContact O-C 3.58Å; Y307-N310 WeakPolarHBondContact O-CA 3.27Å; Y307-N310 WeakPolarHBondContact O-CB 3.18Å; Y307-N310 PolarHBondContact O-N 3.45Å; Y307-N310 VanDerWaalsContact O-N 3.11Å; Y308-N310 PolarHBondContact O-N 3.47Å |
| 311 | Q | 95 | Very high | 89.8 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.6 | -45.8 | 170 | -66.3 | -53.2 | -74.8 | 0 | 0 | 111.7 | Y307 Y308 K313 T314 F331 F362 F366 | Y307-Q311 HydrophobicContact CD1-CG 4.46Å; Y307-Q311 HydrophobicContact CE1-CG 4Å; Y307-Q311 HydrophobicContact CE2-CG 4.28Å; Y307-Q311 PolarHBondContact O-N 3.31Å; Y308-Q311 PolarHBondContact O-N 3.2Å; Q311-K313 VanDerWaalsContact C-N 3.28Å; Q311-K313 PolarHBondContact O-N 2.62Å; Q311-T314 WeakPolarHBondContact O-CB 3.11Å; Q311-T314 PolarHBondContact O-N 3.12Å; Q311-T314 PolarHBondContact O-OG1 3.26Å; Q311-F331 HydrophobicContact CB-CZ 4.14Å; Q311-F362 HydrophobicContact CB-CE1 4.15Å; Q311-F362 HydrophobicContact CB-CZ 4.18Å; Q311-F366 HydrophobicContact CG-CE1 4.46Å; Q311-F366 HydrophobicContact CG-CE2 4.4Å; Q311-F366 HydrophobicContact CG-CZ 4.02Å |
| 312 | F | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -51 | -49 | 175.6 | -177.2 | -82.4 | 0 | 0 | 0 | 111.1 | Y308 T314 I315 Q316 D318 L319 G321 I323 L359 F362 | Y308-F312 WeakPolarHBondContact O-CB 3.26Å; Y308-F312 PolarHBondContact O-N 3.29Å; F312-T314 PolarHBondContact O-N 3.12Å; F312-I315 PolarHBondContact O-N 2.74Å; F312-Q316 HydrophobicContact CD1-CB 4.37Å; F312-Q316 VanDerWaalsContact CD1-O 3.27Å; F312-Q316 WeakPolarHBondContact CD1-O 3.22Å; F312-Q316 HydrophobicContact CE1-CB 3.81Å; F312-Q316 HydrophobicContact CE1-CG 3.79Å; F312-Q316 VanDerWaalsContact CE1-O 3.32Å; F312-Q316 WeakPolarHBondContact CE1-O 3.4Å; F312-Q316 HydrophobicContact CZ-CB 4.03Å; F312-Q316 HydrophobicContact CZ-CG 3.92Å; F312-Q316 PolarHBondContact O-N 3.41Å; F312-D318 WeakPolarHBondContact CE1-O 3.48Å; F312-L319 HydrophobicContact CD1-CD2 3.86Å; F312-L319 HydrophobicContact CE1-CD2 4.21Å; F312-G321 WeakPolarHBondContact CZ-O 3.29Å; F312-I323 HydrophobicContact CD2-CD1 3.39Å; F312-I323 HydrophobicContact CD2-CG1 4.23Å; F312-I323 HydrophobicContact CE2-CD1 3.39Å; F312-I323 HydrophobicContact CE2-CG1 3.73Å; F312-I323 HydrophobicContact CG-CD1 4.12Å; F312-I323 HydrophobicContact CZ-CD1 4.13Å; F312-I323 HydrophobicContact CZ-CG1 4.09Å; F312-L359 HydrophobicContact CB-CD1 3.81Å; F312-L359 HydrophobicContact CD1-CD1 3.85Å; F312-L359 HydrophobicContact CD2-CB 4.47Å; F312-L359 HydrophobicContact CD2-CD1 3.67Å; F312-L359 HydrophobicContact CE1-CD1 4.33Å; F312-L359 HydrophobicContact CE2-CB 4.17Å; F312-L359 HydrophobicContact CE2-CD1 4.17Å; F312-L359 HydrophobicContact CG-CD1 3.49Å; F312-L359 VanDerWaalsContact CG-CD1 3.49Å; F312-L359 HydrophobicContact CZ-CB 4.3Å; F312-L359 HydrophobicContact CZ-CD1 4.47Å; F312-F362 HydrophobicContact CB-CD1 3.8Å; F312-F362 HydrophobicContact CB-CE1 3.81Å; F312-F362 HydrophobicContact CD2-CB 3.7Å; F312-F362 AromaticContact CD2-CD1 3.73Å; F312-F362 HydrophobicContact CD2-CD1 3.73Å; F312-F362 HydrophobicContact CD2-CD2 4.39Å; F312-F362 HydrophobicContact CD2-CE1 4.45Å; F312-F362 AromaticContact CD2-CG 3.68Å; F312-F362 HydrophobicContact CD2-CG 3.68Å; F312-F362 HydrophobicContact CE2-CB 4.11Å; F312-F362 HydrophobicContact CE2-CG 4.47Å; F312-F362 HydrophobicContact CG-CD1 4.27Å |
| 313 | K | 93.3 | Very high | 91 | Very high | 93 Ų | 93 | 68.4 Ų | 68.4 | 40% | 0.404 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.9 | -17.1 | 176.7 | -75 | 173.7 | -176.4 | 179.3 | 0 | 115.6 | I309 Q311 Q316 L319 | I309-K313 HydrophobicContact CG2-CD 4.46Å; I309-K313 VanDerWaalsContact O-CG 3.29Å; I309-K313 WeakPolarHBondContact O-CG 3.14Å; I309-K313 PolarHBondContact O-N 2.9Å; I309-K313 VanDerWaalsContact O-N 3.15Å; Q311-K313 VanDerWaalsContact C-N 3.28Å; Q311-K313 PolarHBondContact O-N 2.62Å; K313-Q316 WeakPolarHBondContact CA-O 3.48Å; K313-L319 HydrophobicContact CD-CD2 4.47Å; K313-L319 HydrophobicContact CG-CD2 3.94Å |
| 314 | T | 93.4 | Very high | 91.5 | Very high | 97 Ų | 97 | 64.7 Ų | 64.7 | 60% | 0.595 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -81.5 | -17.6 | 173.8 | 70.5 | 0 | 0 | 0 | 0 | 113.4 | Q311 F312 | Q311-T314 WeakPolarHBondContact O-CB 3.11Å; Q311-T314 PolarHBondContact O-N 3.12Å; Q311-T314 PolarHBondContact O-OG1 3.26Å; F312-T314 PolarHBondContact O-N 3.12Å |
| 315 | I | 92.5 | Very high | 91.7 | Very high | 46 Ų | 46 | 61.5 Ų | 61.5 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -105.8 | -46.8 | -179 | -46.9 | 162.9 | 0 | 0 | 0 | 109.5 | F312 I323 A327 F331 F362 | F312-I315 PolarHBondContact O-N 2.74Å; I315-I323 HydrophobicContact CB-CD1 4.07Å; I315-I323 HydrophobicContact CD1-CD1 3.94Å; I315-I323 HydrophobicContact CG2-CD1 4.16Å; I315-I323 HydrophobicContact CG2-CG1 4.26Å; I315-I323 HydrophobicContact CG2-CG2 3.88Å; I315-A327 HydrophobicContact CG2-CB 4.14Å; I315-F331 HydrophobicContact CD1-CB 3.87Å; I315-F331 HydrophobicContact CD1-CD1 3.66Å; I315-F331 HydrophobicContact CD1-CD2 3.53Å; I315-F331 HydrophobicContact CD1-CE1 4Å; I315-F331 HydrophobicContact CD1-CE2 3.9Å; I315-F331 HydrophobicContact CD1-CG 3.4Å; I315-F331 HydrophobicContact CD1-CZ 4.13Å; I315-F331 HydrophobicContact CG1-CD2 3.75Å; I315-F331 HydrophobicContact CG1-CE2 4.1Å; I315-F331 HydrophobicContact CG1-CG 4.1Å; I315-F362 HydrophobicContact CD1-CD2 4.4Å; I315-F362 HydrophobicContact CD1-CE2 3.45Å; I315-F362 VanDerWaalsContact CD1-CE2 3.45Å; I315-F362 HydrophobicContact CD1-CZ 3.79Å |
| 316 | Q | 91.3 | Very high | 91.8 | Very high | 53 Ų | 53 | 60 Ų | 60 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | trans | -135.8 | 104.4 | -177.6 | 177.8 | 62.7 | -80.1 | 0 | 0 | 108.5 | F312 K313 D318 L322 I323 | F312-Q316 HydrophobicContact CD1-CB 4.37Å; F312-Q316 VanDerWaalsContact CD1-O 3.27Å; F312-Q316 WeakPolarHBondContact CD1-O 3.22Å; F312-Q316 HydrophobicContact CE1-CB 3.81Å; F312-Q316 HydrophobicContact CE1-CG 3.79Å; F312-Q316 VanDerWaalsContact CE1-O 3.32Å; F312-Q316 WeakPolarHBondContact CE1-O 3.4Å; F312-Q316 HydrophobicContact CZ-CB 4.03Å; F312-Q316 HydrophobicContact CZ-CG 3.92Å; F312-Q316 PolarHBondContact O-N 3.41Å; K313-Q316 WeakPolarHBondContact CA-O 3.48Å; Q316-D318 VanDerWaalsContact C-N 3.28Å; Q316-D318 WeakPolarHBondContact CG-O 3.42Å; Q316-D318 PolarHBondContact O-N 2.88Å; Q316-L322 PolarHBondContact NE2-O 2.86Å; Q316-I323 HydrophobicContact CB-CD1 4.29Å; Q316-I323 HydrophobicContact CB-CG1 3.66Å; Q316-I323 HydrophobicContact CG-CG1 4.4Å | ||
| 317 | P | 89 | Confident | 92 | Very high | 102 Ų | 102 | 56.9 Ų | 56.9 | 66% | 0.662 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -70.7 | -22.3 | -176 | 27.6 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 318 | D | 89.6 | Confident | 92 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | trans | -84.8 | 114.2 | 175 | -178 | -5 | 0 | 0 | 0 | 110.7 | F312 Q316 T320 G321 | F312-D318 WeakPolarHBondContact CE1-O 3.48Å; Q316-D318 VanDerWaalsContact C-N 3.28Å; Q316-D318 WeakPolarHBondContact CG-O 3.42Å; Q316-D318 PolarHBondContact O-N 2.88Å; D318-T320 PolarHBondContact O-N 3.46Å; D318-T320 VanDerWaalsContact O-N 3.17Å; D318-T320 WeakPolarHBondContact OD1-CA 3.48Å; D318-T320 PolarHBondContact OD1-N 3.42Å; D318-T320 PolarHBondContact OD1-OG1 3.13Å; D318-T320 PolarHBondContact OD2-OG1 3.44Å; D318-G321 PolarHBondContact O-N 3.11Å; D318-G321 PolarHBondContact OD1-N 3.43Å | ||
| 319 | L | 87.8 | Confident | 91.9 | Very high | 69 Ų | 69 | 52 Ų | 52 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -10.6 | 178.8 | -63.9 | -178.2 | 0 | 0 | 0 | 114.6 | I309 F312 K313 L359 | I309-L319 HydrophobicContact CG2-CD1 4.44Å; I309-L319 HydrophobicContact CG2-CD2 4.1Å; F312-L319 HydrophobicContact CD1-CD2 3.86Å; F312-L319 HydrophobicContact CE1-CD2 4.21Å; K313-L319 HydrophobicContact CD-CD2 4.47Å; K313-L319 HydrophobicContact CG-CD2 3.94Å; L319-L359 HydrophobicContact CB-CD2 4.3Å; L319-L359 HydrophobicContact CD2-CD1 4.12Å; L319-L359 HydrophobicContact CD2-CD2 4.1Å |
| 320 | T | 86.2 | Confident | 91.9 | Very high | 124 Ų | 124 | 57 Ų | 57 | 76% | 0.761 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -4.8 | 171.1 | 62.5 | 0 | 0 | 0 | 0 | 113 | D318 | D318-T320 PolarHBondContact O-N 3.46Å; D318-T320 VanDerWaalsContact O-N 3.17Å; D318-T320 WeakPolarHBondContact OD1-CA 3.48Å; D318-T320 PolarHBondContact OD1-N 3.42Å; D318-T320 PolarHBondContact OD1-OG1 3.13Å; D318-T320 PolarHBondContact OD2-OG1 3.44Å |
| 321 | G | 87.8 | Confident | 91.9 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -77.5 | 160.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F312 D318 | F312-G321 WeakPolarHBondContact CZ-O 3.29Å; D318-G321 PolarHBondContact O-N 3.11Å; D318-G321 PolarHBondContact OD1-N 3.43Å |
| 322 | L | 92.1 | Very high | 91.9 | Very high | 73 Ų | 73 | 53.2 Ų | 53.2 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | trans | -97.5 | 147.2 | 175 | -56.7 | 174.7 | 0 | 0 | 0 | 110.4 | Q316 D354 A356 T358 | Q316-L322 PolarHBondContact NE2-O 2.86Å; L322-D354 WeakPolarHBondContact CD1-OD2 3.36Å; L322-A356 HydrophobicContact CB-CB 3.83Å; L322-A356 HydrophobicContact CD1-CB 4.35Å; L322-T358 HydrophobicContact CD2-CG2 3.45Å; L322-T358 VanDerWaalsContact CD2-CG2 3.45Å | ||
| 323 | I | 94.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 109.9 | 168.5 | -63.1 | 174.6 | 0 | 0 | 0 | 108.2 | F312 I315 Q316 A327 A328 A356 L357 F362 | F312-I323 HydrophobicContact CD2-CD1 3.39Å; F312-I323 HydrophobicContact CD2-CG1 4.23Å; F312-I323 HydrophobicContact CE2-CD1 3.39Å; F312-I323 HydrophobicContact CE2-CG1 3.73Å; F312-I323 HydrophobicContact CG-CD1 4.12Å; F312-I323 HydrophobicContact CZ-CD1 4.13Å; F312-I323 HydrophobicContact CZ-CG1 4.09Å; I315-I323 HydrophobicContact CB-CD1 4.07Å; I315-I323 HydrophobicContact CD1-CD1 3.94Å; I315-I323 HydrophobicContact CG2-CD1 4.16Å; I315-I323 HydrophobicContact CG2-CG1 4.26Å; I315-I323 HydrophobicContact CG2-CG2 3.88Å; Q316-I323 HydrophobicContact CB-CD1 4.29Å; Q316-I323 HydrophobicContact CB-CG1 3.66Å; Q316-I323 HydrophobicContact CG-CG1 4.4Å; I323-A327 HydrophobicContact CG2-CB 4.02Å; I323-A328 HydrophobicContact CG2-CB 3.88Å; I323-A356 CarbonylContact O-C 3.59Å; I323-A356 WeakPolarHBondContact O-CA 3.46Å; I323-A356 WeakPolarHBondContact O-CB 3.23Å; I323-L357 PolarHBondContact N-O 2.77Å; I323-L357 PolarHBondContact O-N 2.96Å; I323-F362 HydrophobicContact CD1-CB 4.46Å; I323-F362 HydrophobicContact CD1-CD2 3.65Å; I323-F362 HydrophobicContact CD1-CE2 4.08Å; I323-F362 HydrophobicContact CD1-CG 4.11Å |
| 324 | P | 94.5 | Very high | 91.8 | Very high | 62 Ų | 62 | 58 Ų | 58 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 148.9 | 178.7 | 27.9 | -34.9 | 0 | 0 | 0 | 111.5 | S326 A327 A328 | P324-S326 PolarHBondContact O-N 3.11Å; P324-A327 HydrophobicContact CG-CB 4.15Å; P324-A327 PolarHBondContact O-N 2.92Å; P324-A328 PolarHBondContact O-N 3.27Å; P324-A328 VanDerWaalsContact O-N 3.08Å |
| 325 | G | 92 | Very high | 91.7 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54 | -28.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K329 G355 | G325-K329 WeakPolarHBondContact O-CB 3.36Å; G325-K329 PolarHBondContact O-N 2.75Å; G325-G355 PolarHBondContact N-O 3.22Å |
| 326 | S | 92.4 | Very high | 91.7 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.3 | -49.8 | 171.7 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | P324 K329 E330 | P324-S326 PolarHBondContact O-N 3.11Å; S326-K329 PolarHBondContact O-N 3.03Å; S326-E330 PolarHBondContact O-N 3.43Å |
| 327 | A | 93.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 60.3 Ų | 60.3 | 24% | 0.24 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68 | -38.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I315 I323 P324 E330 F331 | I315-A327 HydrophobicContact CG2-CB 4.14Å; I323-A327 HydrophobicContact CG2-CB 4.02Å; P324-A327 HydrophobicContact CG-CB 4.15Å; P324-A327 PolarHBondContact O-N 2.92Å; A327-E330 PolarHBondContact O-N 3.29Å; A327-F331 WeakPolarHBondContact O-CB 3.3Å; A327-F331 PolarHBondContact O-N 2.9Å |
| 328 | A | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I323 P324 F331 F332 W346 L357 | I323-A328 HydrophobicContact CG2-CB 3.88Å; P324-A328 PolarHBondContact O-N 3.27Å; P324-A328 VanDerWaalsContact O-N 3.08Å; A328-F331 CarbonylContact O-C 3.6Å; A328-F331 WeakPolarHBondContact O-CB 3.28Å; A328-F331 PolarHBondContact O-N 2.64Å; A328-F331 VanDerWaalsContact O-N 3.08Å; A328-F332 HydrophobicContact CB-CD2 4.15Å; A328-F332 HydrophobicContact CB-CE2 3.94Å; A328-F332 WeakPolarHBondContact O-CD2 3.24Å; A328-F332 WeakPolarHBondContact O-CG 3.41Å; A328-F332 PolarHBondContact O-N 3.43Å; A328-W346 HydrophobicContact CB-CE3 4.26Å; A328-W346 HydrophobicContact CB-CH2 4.42Å; A328-W346 HydrophobicContact CB-CZ3 3.5Å; A328-L357 HydrophobicContact CB-CD1 4.09Å |
| 329 | K | 90.5 | Very high | 91.9 | Very high | 30 Ų | 30 | 56.9 Ų | 56.9 | 13% | 0.13 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 175 | 173.1 | 174.5 | 172.6 | -170.2 | 0 | 111.9 | G325 S326 F331 T333 D653 F654 | G325-K329 WeakPolarHBondContact O-CB 3.36Å; G325-K329 PolarHBondContact O-N 2.75Å; S326-K329 PolarHBondContact O-N 3.03Å; K329-F331 PolarHBondContact O-N 2.8Å; K329-T333 HydrophobicContact CG-CG2 4.41Å; K329-T333 WeakPolarHBondContact O-CB 3.48Å; K329-T333 VanDerWaalsContact O-CG2 3.24Å; K329-T333 WeakPolarHBondContact O-CG2 3.16Å; K329-T333 PolarHBondContact O-N 2.89Å; K329-T333 PolarHBondContact O-OG1 3.08Å; K329-D653 PolarHBondContact NZ-O 2.77Å; K329-F654 HydrophobicContact CB-CE1 4.13Å; K329-F654 HydrophobicContact CB-CZ 4.21Å; K329-F654 HydrophobicContact CD-CD1 4.19Å; K329-F654 HydrophobicContact CD-CE1 4.16Å; K329-F654 HydrophobicContact CG-CD1 4.13Å; K329-F654 HydrophobicContact CG-CE1 3.68Å; K329-F654 HydrophobicContact CG-CZ 4.22Å |
| 330 | E | 93 | Very high | 92 | Very high | 132 Ų | 132 | 60.5 Ų | 60.5 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.4 | -27.6 | 173.3 | -78.1 | -177.2 | -148.8 | 0 | 0 | 113.1 | S326 A327 T333 K334 | S326-E330 PolarHBondContact O-N 3.43Å; A327-E330 PolarHBondContact O-N 3.29Å; E330-T333 PolarHBondContact O-OG1 2.92Å; E330-K334 WeakPolarHBondContact O-CE 3.41Å; E330-K334 PolarHBondContact O-NZ 2.92Å |
| 331 | F | 94.6 | Very high | 92.3 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 13% | 0.132 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -81.5 | -53.9 | 175.7 | -172.8 | -102.1 | 0 | 0 | 0 | 112.2 | Q311 I315 A327 A328 K329 T333 K334 F362 F366 | Q311-F331 HydrophobicContact CB-CZ 4.14Å; I315-F331 HydrophobicContact CD1-CB 3.87Å; I315-F331 HydrophobicContact CD1-CD1 3.66Å; I315-F331 HydrophobicContact CD1-CD2 3.53Å; I315-F331 HydrophobicContact CD1-CE1 4Å; I315-F331 HydrophobicContact CD1-CE2 3.9Å; I315-F331 HydrophobicContact CD1-CG 3.4Å; I315-F331 HydrophobicContact CD1-CZ 4.13Å; I315-F331 HydrophobicContact CG1-CD2 3.75Å; I315-F331 HydrophobicContact CG1-CE2 4.1Å; I315-F331 HydrophobicContact CG1-CG 4.1Å; A327-F331 WeakPolarHBondContact O-CB 3.3Å; A327-F331 PolarHBondContact O-N 2.9Å; A328-F331 CarbonylContact O-C 3.6Å; A328-F331 WeakPolarHBondContact O-CB 3.28Å; A328-F331 PolarHBondContact O-N 2.64Å; A328-F331 VanDerWaalsContact O-N 3.08Å; K329-F331 PolarHBondContact O-N 2.8Å; F331-T333 PolarHBondContact O-N 2.86Å; F331-K334 VanDerWaalsContact O-CB 3.24Å; F331-K334 WeakPolarHBondContact O-CB 3.18Å; F331-K334 WeakPolarHBondContact O-CG 3.25Å; F331-K334 PolarHBondContact O-N 3.06Å; F331-K334 VanDerWaalsContact O-N 3.14Å; F331-F362 AromaticContact CD1-CE2 3.85Å; F331-F362 HydrophobicContact CD1-CE2 3.85Å; F331-F362 HydrophobicContact CD1-CZ 4.09Å; F331-F362 AromaticContact CE1-CE2 3.87Å; F331-F362 HydrophobicContact CE1-CE2 3.87Å; F331-F362 AromaticContact CE1-CZ 3.61Å; F331-F362 HydrophobicContact CE1-CZ 3.61Å; F331-F362 HydrophobicContact CZ-CZ 4.26Å; F331-F366 AromaticContact CE1-CD2 3.68Å; F331-F366 HydrophobicContact CE1-CD2 3.68Å; F331-F366 AromaticContact CE1-CE2 3.61Å; F331-F366 HydrophobicContact CE1-CE2 3.61Å; F331-F366 HydrophobicContact CZ-CD2 4.48Å; F331-F366 HydrophobicContact CZ-CE2 4.03Å |
| 332 | F | 94.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.2 | -28.2 | -175.5 | -63.4 | -54 | 0 | 0 | 0 | 113.6 | A328 K334 S335 L342 L357 F362 A365 F366 V369 | A328-F332 HydrophobicContact CB-CD2 4.15Å; A328-F332 HydrophobicContact CB-CE2 3.94Å; A328-F332 WeakPolarHBondContact O-CD2 3.24Å; A328-F332 WeakPolarHBondContact O-CG 3.41Å; A328-F332 PolarHBondContact O-N 3.43Å; F332-K334 PolarHBondContact O-N 2.86Å; F332-S335 WeakPolarHBondContact O-CB 3.36Å; F332-S335 PolarHBondContact O-N 3.48Å; F332-S335 PolarHBondContact O-OG 3.42Å; F332-L342 HydrophobicContact CB-CD2 4.02Å; F332-L357 HydrophobicContact CE2-CD1 3.8Å; F332-L357 HydrophobicContact CZ-CD1 4.2Å; F332-F362 HydrophobicContact CE1-CD2 4.4Å; F332-F362 HydrophobicContact CE1-CE2 4.06Å; F332-F362 AromaticContact CZ-CD2 3.79Å; F332-F362 HydrophobicContact CZ-CD2 3.79Å; F332-F362 AromaticContact CZ-CE2 3.86Å; F332-F362 HydrophobicContact CZ-CE2 3.86Å; F332-A365 HydrophobicContact CE1-CB 4.24Å; F332-A365 HydrophobicContact CE2-CB 3.96Å; F332-A365 HydrophobicContact CZ-CB 3.51Å; F332-F366 HydrophobicContact CE1-CB 4.1Å; F332-F366 HydrophobicContact CE1-CD2 4.04Å; F332-V369 HydrophobicContact CD1-CG2 3.84Å; F332-V369 HydrophobicContact CE1-CG2 4.37Å; F332-V369 HydrophobicContact CG-CG2 4.37Å |
| 333 | T | 93.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 53.8 Ų | 53.8 | 29% | 0.288 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -59.3 | -25.8 | 172 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | K329 E330 F331 S335 K336 L342 | K329-T333 HydrophobicContact CG-CG2 4.41Å; K329-T333 WeakPolarHBondContact O-CB 3.48Å; K329-T333 VanDerWaalsContact O-CG2 3.24Å; K329-T333 WeakPolarHBondContact O-CG2 3.16Å; K329-T333 PolarHBondContact O-N 2.89Å; K329-T333 PolarHBondContact O-OG1 3.08Å; E330-T333 PolarHBondContact O-OG1 2.92Å; F331-T333 PolarHBondContact O-N 2.86Å; T333-S335 PolarHBondContact O-N 3.28Å; T333-S335 VanDerWaalsContact O-N 3.16Å; T333-K336 PolarHBondContact O-N 3.02Å; T333-K336 VanDerWaalsContact O-N 3.1Å; T333-L342 HydrophobicContact CG2-CD1 3.94Å |
| 334 | K | 91.6 | Very high | 92.4 | Very high | 147 Ų | 147 | 56.7 Ų | 56.7 | 64% | 0.639 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -64.4 | -16.4 | 173.9 | -56 | 176.2 | 173.2 | 97.4 | 0 | 113.2 | E330 F331 F332 K336 | E330-K334 WeakPolarHBondContact O-CE 3.41Å; E330-K334 PolarHBondContact O-NZ 2.92Å; F331-K334 VanDerWaalsContact O-CB 3.24Å; F331-K334 WeakPolarHBondContact O-CB 3.18Å; F331-K334 WeakPolarHBondContact O-CG 3.25Å; F331-K334 PolarHBondContact O-N 3.06Å; F331-K334 VanDerWaalsContact O-N 3.14Å; F332-K334 PolarHBondContact O-N 2.86Å; K334-K336 PolarHBondContact O-N 2.68Å |
| 335 | S | 91.3 | Very high | 92.3 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -68.8 | -20 | 173.1 | 70.7 | 0 | 0 | 0 | 0 | 114.1 | F332 T333 L337 V369 | F332-S335 WeakPolarHBondContact O-CB 3.36Å; F332-S335 PolarHBondContact O-N 3.48Å; F332-S335 PolarHBondContact O-OG 3.42Å; T333-S335 PolarHBondContact O-N 3.28Å; T333-S335 VanDerWaalsContact O-N 3.16Å; S335-L337 PolarHBondContact O-N 3.08Å; S335-L337 PolarHBondContact OG-N 3.4Å; S335-V369 VanDerWaalsContact CB-CG1 3.45Å |
| 336 | K | 92.9 | Very high | 92.4 | Very high | 193 Ų | 193 | 54.3 Ų | 54.3 | 84% | 0.839 | 28% | 0.28 | S | S | * | . | trans | 62.8 | 18.8 | -171.4 | -51.4 | -173.9 | 178.9 | -173 | 0 | 115.3 | T333 K334 | T333-K336 PolarHBondContact O-N 3.02Å; T333-K336 VanDerWaalsContact O-N 3.1Å; K334-K336 PolarHBondContact O-N 2.68Å | ||
| 337 | L | 91.3 | Very high | 92.4 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 12% | 0.12 | 28% | 0.282 | C | S | . | . | trans | -68.4 | 152.5 | 168 | -66.2 | -177.8 | 0 | 0 | 0 | 111.5 | S335 L342 I345 V369 R372 K373 | S335-L337 PolarHBondContact O-N 3.08Å; S335-L337 PolarHBondContact OG-N 3.4Å; L337-L342 HydrophobicContact CB-CD2 3.92Å; L337-L342 HydrophobicContact CB-CG 4.14Å; L337-L342 HydrophobicContact CD1-CD2 4.24Å; L337-I345 HydrophobicContact CD1-CD1 3.98Å; L337-V369 HydrophobicContact CD1-CB 4.27Å; L337-V369 HydrophobicContact CD1-CG1 4.01Å; L337-V369 HydrophobicContact CD1-CG2 4.26Å; L337-R372 HydrophobicContact CD1-CB 3.96Å; L337-R372 HydrophobicContact CD1-CG 3.88Å; L337-R372 HydrophobicContact CD2-CG 3.89Å; L337-K373 HydrophobicContact CD2-CB 4.29Å | ||
| 338 | P | 93 | Very high | 92.2 | Very high | 67 Ų | 67 | 56 Ų | 56 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | trans | -54 | 143.3 | 174.3 | -26.3 | 34.4 | 0 | 0 | 0 | 113.4 | L340 E341 L342 | P338-L340 PolarHBondContact O-N 3.41Å; P338-E341 HydrophobicContact CB-CB 4.36Å; P338-E341 HydrophobicContact CB-CG 4.1Å; P338-E341 WeakPolarHBondContact CD-OE2 3.33Å; P338-E341 HydrophobicContact CG-CG 4.21Å; P338-E341 WeakPolarHBondContact O-CB 3.41Å; P338-E341 PolarHBondContact O-N 2.67Å; P338-L342 PolarHBondContact O-N 3.17Å | ||
| 339 | I | 89.5 | Confident | 92.1 | Very high | 45 Ų | 45 | 56 Ų | 56 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.4 | -41.3 | 179.3 | -65.5 | 173.2 | 0 | 0 | 0 | 112.1 | L342 S343 F654 F657 Q658 | I339-L342 PolarHBondContact O-N 2.82Å; I339-S343 PolarHBondContact O-N 3.31Å; I339-S343 VanDerWaalsContact O-N 3.12Å; I339-F654 HydrophobicContact CG2-CB 3.69Å; I339-F654 VanDerWaalsContact CG2-O 3.23Å; I339-F654 WeakPolarHBondContact CG2-O 3.16Å; I339-F657 HydrophobicContact CD1-CB 3.68Å; I339-F657 HydrophobicContact CG1-CB 4.36Å; I339-Q658 HydrophobicContact CD1-CB 4.5Å |
| 340 | L | 89.9 | Confident | 92.1 | Very high | 146 Ų | 146 | 55.1 Ų | 55.1 | 76% | 0.764 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -69 | -36.8 | 178.1 | -61.7 | 174.3 | 0 | 0 | 0 | 112.8 | P338 S343 H344 | P338-L340 PolarHBondContact O-N 3.41Å; L340-S343 PolarHBondContact O-N 3.07Å; L340-H344 PolarHBondContact O-N 2.92Å |
| 341 | E | 92.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.5 | -35.6 | 177 | -66.9 | -176.8 | -173.2 | 0 | 0 | 111 | P338 H344 I345 R372 L378 | P338-E341 HydrophobicContact CB-CB 4.36Å; P338-E341 HydrophobicContact CB-CG 4.1Å; P338-E341 WeakPolarHBondContact CD-OE2 3.33Å; P338-E341 HydrophobicContact CG-CG 4.21Å; P338-E341 WeakPolarHBondContact O-CB 3.41Å; P338-E341 PolarHBondContact O-N 2.67Å; E341-H344 PolarHBondContact O-N 3.07Å; E341-I345 WeakPolarHBondContact O-CB 3.18Å; E341-I345 WeakPolarHBondContact O-CG1 3.44Å; E341-I345 PolarHBondContact O-N 3.46Å; E341-R372 IonicContact OE1-CZ 3.37Å; E341-R372 IonicContact OE1-NE 3.84Å; E341-R372 PolarHBondContact OE1-NE 3.44Å; E341-R372 IonicContact OE1-NH2 3.74Å; E341-R372 PolarHBondContact OE1-NH2 3.37Å; E341-R372 WeakPolarHBondContact OE2-CG 3.26Å; E341-R372 IonicContact OE2-CZ 2.73Å; E341-R372 IonicContact OE2-NE 3.38Å; E341-R372 PolarHBondContact OE2-NE 3.42Å; E341-R372 IonicContact OE2-NH2 2.85Å; E341-L378 HydrophobicContact CB-CD1 3.89Å; E341-L378 HydrophobicContact CG-CD1 4.2Å |
| 342 | L | 93.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.9 | -33.5 | 173.4 | -64.8 | -178.4 | 0 | 0 | 0 | 112.8 | F332 T333 L337 P338 I339 I345 W346 V369 F654 | F332-L342 HydrophobicContact CB-CD2 4.02Å; T333-L342 HydrophobicContact CG2-CD1 3.94Å; L337-L342 HydrophobicContact CB-CD2 3.92Å; L337-L342 HydrophobicContact CB-CG 4.14Å; L337-L342 HydrophobicContact CD1-CD2 4.24Å; P338-L342 PolarHBondContact O-N 3.17Å; I339-L342 PolarHBondContact O-N 2.82Å; L342-I345 HydrophobicContact CD2-CD1 4.4Å; L342-W346 WeakPolarHBondContact O-CB 3.43Å; L342-W346 PolarHBondContact O-N 2.94Å; L342-V369 HydrophobicContact CD2-CG2 4.17Å; L342-F654 HydrophobicContact CB-CD1 4Å; L342-F654 HydrophobicContact CB-CE1 3.53Å; L342-F654 HydrophobicContact CB-CZ 3.86Å; L342-F654 HydrophobicContact CD1-CE1 4.24Å |
| 343 | S | 92.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 63.1 Ų | 63.1 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -50.1 | 170 | -158.3 | 0 | 0 | 0 | 0 | 111.1 | I339 L340 I345 W346 E347 | I339-S343 PolarHBondContact O-N 3.31Å; I339-S343 VanDerWaalsContact O-N 3.12Å; L340-S343 PolarHBondContact O-N 3.07Å; S343-I345 VanDerWaalsContact C-N 3.33Å; S343-I345 PolarHBondContact O-N 2.67Å; S343-W346 WeakPolarHBondContact O-CA 3.44Å; S343-W346 WeakPolarHBondContact O-CB 3.43Å; S343-W346 PolarHBondContact O-N 3.47Å; S343-E347 WeakPolarHBondContact CB-OE1 3.31Å; S343-E347 WeakPolarHBondContact O-CB 3.42Å; S343-E347 VanDerWaalsContact O-CG 3.3Å; S343-E347 WeakPolarHBondContact O-CG 3.3Å; S343-E347 PolarHBondContact O-N 3.3Å; S343-E347 PolarHBondContact OG-OE1 2.81Å |
| 344 | H | 90.4 | Very high | 91 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 178.1 | -170.8 | 65.3 | 0 | 0 | 0 | 112.3 | L340 E341 W346 E347 L348 P379 | L340-H344 PolarHBondContact O-N 2.92Å; E341-H344 PolarHBondContact O-N 3.07Å; H344-W346 PolarHBondContact O-N 3.35Å; H344-E347 PolarHBondContact O-N 3.23Å; H344-L348 WeakPolarHBondContact NE2-CD1 3.49Å; H344-L348 WeakPolarHBondContact O-CB 3.29Å; H344-L348 WeakPolarHBondContact O-CG 3.48Å; H344-L348 PolarHBondContact O-N 2.83Å; H344-P379 PolarHBondContact NE2-O 3.43Å |
| 345 | I | 93.3 | Very high | 91 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 173.5 | -71.5 | 168.1 | 0 | 0 | 0 | 111.6 | L337 E341 L342 S343 L348 S349 A365 L368 V369 L378 | L337-I345 HydrophobicContact CD1-CD1 3.98Å; E341-I345 WeakPolarHBondContact O-CB 3.18Å; E341-I345 WeakPolarHBondContact O-CG1 3.44Å; E341-I345 PolarHBondContact O-N 3.46Å; L342-I345 HydrophobicContact CD2-CD1 4.4Å; S343-I345 VanDerWaalsContact C-N 3.33Å; S343-I345 PolarHBondContact O-N 2.67Å; I345-L348 PolarHBondContact O-N 3.3Å; I345-S349 WeakPolarHBondContact O-CB 3.3Å; I345-S349 PolarHBondContact O-N 3.19Å; I345-S349 PolarHBondContact O-OG 2.84Å; I345-A365 HydrophobicContact CG2-CB 4.12Å; I345-L368 HydrophobicContact CB-CD1 4.43Å; I345-L368 HydrophobicContact CD1-CB 4.31Å; I345-L368 HydrophobicContact CG1-CB 3.97Å; I345-L368 HydrophobicContact CG1-CD1 4.29Å; I345-L368 HydrophobicContact CG2-CB 4.01Å; I345-L368 HydrophobicContact CG2-CD1 4.11Å; I345-V369 HydrophobicContact CD1-CG2 3.76Å; I345-V369 HydrophobicContact CG2-CG2 4.16Å; I345-L378 HydrophobicContact CD1-CD1 3.99Å; I345-L378 HydrophobicContact CD1-CD2 3.91Å; I345-L378 HydrophobicContact CG1-CD1 3.73Å; I345-L378 HydrophobicContact CG1-CD2 3.61Å; I345-L378 HydrophobicContact CG1-CG 4.34Å |
| 346 | W | 93.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -53.5 | 174.3 | 178.6 | -81.9 | 0 | 0 | 0 | 110.8 | A328 L342 S343 H344 L348 S349 D350 A356 L357 A652 F654 | A328-W346 HydrophobicContact CB-CE3 4.26Å; A328-W346 HydrophobicContact CB-CH2 4.42Å; A328-W346 HydrophobicContact CB-CZ3 3.5Å; L342-W346 WeakPolarHBondContact O-CB 3.43Å; L342-W346 PolarHBondContact O-N 2.94Å; S343-W346 WeakPolarHBondContact O-CA 3.44Å; S343-W346 WeakPolarHBondContact O-CB 3.43Å; S343-W346 PolarHBondContact O-N 3.47Å; H344-W346 PolarHBondContact O-N 3.35Å; W346-L348 PolarHBondContact O-N 3.06Å; W346-L348 VanDerWaalsContact O-N 3.14Å; W346-S349 PolarHBondContact O-N 3.48Å; W346-D350 HydrophobicContact CD2-CB 4.46Å; W346-D350 HydrophobicContact CZ2-CB 4.04Å; W346-D350 WeakPolarHBondContact CZ2-OD2 3.25Å; W346-D350 PolarHBondContact NE1-OD2 3.45Å; W346-D350 WeakPolarHBondContact O-CB 3.24Å; W346-D350 PolarHBondContact O-N 2.92Å; W346-A356 WeakPolarHBondContact CH2-O 3.48Å; W346-L357 HydrophobicContact CE3-CD1 4.16Å; W346-L357 HydrophobicContact CE3-CD2 4.41Å; W346-L357 HydrophobicContact CE3-CG 4.34Å; W346-L357 HydrophobicContact CH2-CD1 4.27Å; W346-L357 HydrophobicContact CH2-CD2 4.06Å; W346-L357 HydrophobicContact CH2-CG 3.7Å; W346-L357 HydrophobicContact CZ3-CD1 3.58Å; W346-L357 HydrophobicContact CZ3-CD2 3.98Å; W346-L357 HydrophobicContact CZ3-CG 3.53Å; W346-A652 HydrophobicContact CD2-CB 3.93Å; W346-A652 HydrophobicContact CG-CB 3.9Å; W346-F654 HydrophobicContact CB-CE2 3.99Å; W346-F654 HydrophobicContact CG-CE2 4.45Å |
| 347 | E | 92.1 | Very high | 91.2 | Very high | 114 Ų | 114 | 48.6 Ų | 48.6 | 53% | 0.533 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.7 | -20.9 | -177.9 | -67.6 | 165 | -121.6 | 0 | 0 | 114 | S343 H344 | S343-E347 WeakPolarHBondContact CB-OE1 3.31Å; S343-E347 WeakPolarHBondContact O-CB 3.42Å; S343-E347 VanDerWaalsContact O-CG 3.3Å; S343-E347 WeakPolarHBondContact O-CG 3.3Å; S343-E347 PolarHBondContact O-N 3.3Å; S343-E347 PolarHBondContact OG-OE1 2.81Å; H344-E347 PolarHBondContact O-N 3.23Å |
| 348 | L | 89.5 | Confident | 91.3 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -85.6 | -18.4 | 171.9 | -75.8 | 174.6 | 0 | 0 | 0 | 114.6 | H344 I345 W346 L368 P379 L382 | H344-L348 WeakPolarHBondContact NE2-CD1 3.49Å; H344-L348 WeakPolarHBondContact O-CB 3.29Å; H344-L348 WeakPolarHBondContact O-CG 3.48Å; H344-L348 PolarHBondContact O-N 2.83Å; I345-L348 PolarHBondContact O-N 3.3Å; W346-L348 PolarHBondContact O-N 3.06Å; W346-L348 VanDerWaalsContact O-N 3.14Å; L348-L368 HydrophobicContact CB-CD1 3.92Å; L348-L368 HydrophobicContact CD1-CD1 3.76Å; L348-P379 HydrophobicContact CD1-CG 4.3Å; L348-P379 WeakPolarHBondContact CD1-O 3.41Å; L348-L382 HydrophobicContact CB-CD1 4.27Å; L348-L382 HydrophobicContact CD2-CB 4.37Å |
| 349 | S | 91.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -118.4 | -20.9 | -168 | -47.8 | 0 | 0 | 0 | 0 | 114.2 | I345 W346 F351 E361 A365 | I345-S349 WeakPolarHBondContact O-CB 3.3Å; I345-S349 PolarHBondContact O-N 3.19Å; I345-S349 PolarHBondContact O-OG 2.84Å; W346-S349 PolarHBondContact O-N 3.48Å; S349-F351 WeakPolarHBondContact O-CD2 3.36Å; S349-F351 WeakPolarHBondContact O-CE2 3.44Å; S349-F351 PolarHBondContact O-N 3.1Å; S349-E361 VanDerWaalsContact O-CB 3.27Å; S349-E361 WeakPolarHBondContact O-CB 3.43Å; S349-E361 VanDerWaalsContact O-CG 3.26Å; S349-E361 WeakPolarHBondContact O-CG 3.48Å; S349-A365 VanDerWaalsContact OG-CA 3.3Å; S349-A365 WeakPolarHBondContact OG-CA 3.31Å; S349-A365 WeakPolarHBondContact OG-CB 3.36Å; S349-A365 PolarHBondContact OG-N 3.11Å |
| 350 | D | 91.5 | Very high | 91.3 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | trans | -87.4 | 90.2 | 169.5 | 174.7 | 12.1 | 0 | 0 | 0 | 107.7 | W346 K353 D354 L357 | W346-D350 HydrophobicContact CD2-CB 4.46Å; W346-D350 HydrophobicContact CZ2-CB 4.04Å; W346-D350 WeakPolarHBondContact CZ2-OD2 3.25Å; W346-D350 PolarHBondContact NE1-OD2 3.45Å; W346-D350 WeakPolarHBondContact O-CB 3.24Å; W346-D350 PolarHBondContact O-N 2.92Å; D350-K353 WeakPolarHBondContact OD1-CA 3.16Å; D350-K353 PolarHBondContact OD1-N 2.95Å; D350-K353 VanDerWaalsContact OD1-N 3.1Å; D350-D354 PolarHBondContact OD1-N 3.03Å; D350-L357 HydrophobicContact CB-CD2 4.2Å | ||
| 351 | F | 86.8 | Confident | 91.5 | Very high | 71 Ų | 71 | 41.5 Ų | 41.5 | 31% | 0.311 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -83.9 | -40.9 | -167 | -60.7 | -97.7 | 0 | 0 | 0 | 113 | S349 E361 L382 M387 P388 | S349-F351 WeakPolarHBondContact O-CD2 3.36Å; S349-F351 WeakPolarHBondContact O-CE2 3.44Å; S349-F351 PolarHBondContact O-N 3.1Å; F351-E361 HydrophobicContact CD2-CG 3.67Å; F351-E361 WeakPolarHBondContact CD2-OE1 3.46Å; F351-E361 HydrophobicContact CE2-CG 3.8Å; F351-E361 PolarHBondContact N-OE1 3.41Å; F351-L382 HydrophobicContact CE1-CD2 3.52Å; F351-L382 HydrophobicContact CE2-CD2 4.38Å; F351-L382 HydrophobicContact CZ-CD2 3.2Å; F351-M387 HydrophobicContact CE1-CG 4.08Å; F351-P388 HydrophobicContact CD2-CG 3.96Å; F351-P388 HydrophobicContact CE2-CG 3.54Å; F351-P388 HydrophobicContact CZ-CG 4.12Å |
| 352 | D | 86.3 | Confident | 91.6 | Very high | 115 Ų | 115 | 39.7 Ų | 39.7 | 62% | 0.615 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -86 | -14.1 | 179.2 | 70.9 | 1.6 | 0 | 0 | 0 | 112.8 | D354 | D352-D354 PolarHBondContact OD1-N 3.39Š|
| 353 | K | 89.9 | Confident | 91.6 | Very high | 154 Ų | 154 | 39.5 Ų | 39.5 | 67% | 0.67 | 20% | 0.202 | S | C | * | . | trans | 71 | 34.7 | 173.7 | -49.5 | -165.1 | 178.4 | -156 | 0 | 112.6 | D350 G355 | D350-K353 WeakPolarHBondContact OD1-CA 3.16Å; D350-K353 PolarHBondContact OD1-N 2.95Å; D350-K353 VanDerWaalsContact OD1-N 3.1Å; K353-G355 VanDerWaalsContact C-N 3.32Å | ||
| 354 | D | 89.8 | Confident | 91.6 | Very high | 83 Ų | 83 | 38.4 Ų | 38.4 | 44% | 0.444 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -75.8 | -18 | 175.6 | 99.4 | -32.3 | 0 | 0 | 0 | 113.5 | L322 D350 D352 A356 | L322-D354 WeakPolarHBondContact CD1-OD2 3.36Å; D350-D354 PolarHBondContact OD1-N 3.03Å; D352-D354 PolarHBondContact OD1-N 3.39Å; D354-A356 WeakPolarHBondContact OD1-CA 2.9Å; D354-A356 VanDerWaalsContact OD1-CB 3.31Å; D354-A356 WeakPolarHBondContact OD1-CB 3.42Å; D354-A356 PolarHBondContact OD1-N 3.33Å |
| 355 | G | 91.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 17% | 0.165 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 90.8 | 13.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G325 K353 | G325-G355 PolarHBondContact N-O 3.22Å; K353-G355 VanDerWaalsContact C-N 3.32Å |
| 356 | A | 93.7 | Very high | 91.8 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | -170.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | L322 I323 W346 D354 | L322-A356 HydrophobicContact CB-CB 3.83Å; L322-A356 HydrophobicContact CD1-CB 4.35Å; I323-A356 CarbonylContact O-C 3.59Å; I323-A356 WeakPolarHBondContact O-CA 3.46Å; I323-A356 WeakPolarHBondContact O-CB 3.23Å; W346-A356 WeakPolarHBondContact CH2-O 3.48Å; D354-A356 WeakPolarHBondContact OD1-CA 2.9Å; D354-A356 VanDerWaalsContact OD1-CB 3.31Å; D354-A356 WeakPolarHBondContact OD1-CB 3.42Å; D354-A356 PolarHBondContact OD1-N 3.33Å |
| 357 | L | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 128.5 | 171.9 | -60.4 | 171.2 | 0 | 0 | 0 | 109.4 | I323 A328 F332 W346 D350 E361 F362 A365 | I323-L357 PolarHBondContact N-O 2.77Å; I323-L357 PolarHBondContact O-N 2.96Å; A328-L357 HydrophobicContact CB-CD1 4.09Å; F332-L357 HydrophobicContact CE2-CD1 3.8Å; F332-L357 HydrophobicContact CZ-CD1 4.2Å; W346-L357 HydrophobicContact CE3-CD1 4.16Å; W346-L357 HydrophobicContact CE3-CD2 4.41Å; W346-L357 HydrophobicContact CE3-CG 4.34Å; W346-L357 HydrophobicContact CH2-CD1 4.27Å; W346-L357 HydrophobicContact CH2-CD2 4.06Å; W346-L357 HydrophobicContact CH2-CG 3.7Å; W346-L357 HydrophobicContact CZ3-CD1 3.58Å; W346-L357 HydrophobicContact CZ3-CD2 3.98Å; W346-L357 HydrophobicContact CZ3-CG 3.53Å; D350-L357 HydrophobicContact CB-CD2 4.2Å; L357-E361 HydrophobicContact CB-CB 4.04Å; L357-E361 HydrophobicContact CD2-CB 3.85Å; L357-F362 HydrophobicContact CB-CB 4.39Å; L357-A365 HydrophobicContact CD1-CB 4.25Å |
| 358 | T | 93.8 | Very high | 91.8 | Very high | 51 Ų | 51 | 30.8 Ų | 30.8 | 31% | 0.313 | 16% | 0.159 | S | C | . | . | trans | -66.8 | 175.8 | 161.5 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | L322 D360 E361 F362 | L322-T358 HydrophobicContact CD2-CG2 3.45Å; L322-T358 VanDerWaalsContact CD2-CG2 3.45Å; T358-D360 VanDerWaalsContact C-N 3.35Å; T358-D360 PolarHBondContact O-N 2.68Å; T358-E361 VanDerWaalsContact CB-OE2 3.25Å; T358-E361 WeakPolarHBondContact CB-OE2 3.35Å; T358-E361 VanDerWaalsContact CG2-OE2 3.24Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.24Å; T358-E361 PolarHBondContact N-OE2 2.91Å; T358-E361 PolarHBondContact O-N 3.26Å; T358-E361 VanDerWaalsContact OG1-CD 3.32Å; T358-E361 WeakPolarHBondContact OG1-CG 3.43Å; T358-E361 PolarHBondContact OG1-N 2.91Å; T358-E361 PolarHBondContact OG1-OE2 3.44Å; T358-F362 WeakPolarHBondContact O-CB 3.26Å; T358-F362 PolarHBondContact O-N 3.03Å | ||
| 359 | L | 92.3 | Very high | 92 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 16% | 0.162 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.6 | -42.3 | 175.9 | 178.4 | 62.2 | 0 | 0 | 0 | 113.6 | I309 F312 L319 C363 | I309-L359 HydrophobicContact CG1-CD1 4.07Å; I309-L359 HydrophobicContact CG1-CD2 4.34Å; F312-L359 HydrophobicContact CB-CD1 3.81Å; F312-L359 HydrophobicContact CD1-CD1 3.85Å; F312-L359 HydrophobicContact CD2-CB 4.47Å; F312-L359 HydrophobicContact CD2-CD1 3.67Å; F312-L359 HydrophobicContact CE1-CD1 4.33Å; F312-L359 HydrophobicContact CE2-CB 4.17Å; F312-L359 HydrophobicContact CE2-CD1 4.17Å; F312-L359 HydrophobicContact CG-CD1 3.49Å; F312-L359 VanDerWaalsContact CG-CD1 3.49Å; F312-L359 HydrophobicContact CZ-CB 4.3Å; F312-L359 HydrophobicContact CZ-CD1 4.47Å; L319-L359 HydrophobicContact CB-CD2 4.3Å; L319-L359 HydrophobicContact CD2-CD1 4.12Å; L319-L359 HydrophobicContact CD2-CD2 4.1Å; L359-C363 PolarHBondContact O-N 2.92Å; L359-C363 PolarHBondContact O-SG 3.41Å |
| 360 | D | 90.8 | Very high | 92 | Very high | 40 Ų | 40 | 32 Ų | 32 | 21% | 0.214 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77.5 | -33.6 | -176.5 | -79.1 | -16.4 | 0 | 0 | 0 | 111.9 | R305 T358 C363 A364 P388 | R305-D360 IonicContact CZ-OD1 3.84Å; R305-D360 IonicContact NE-OD1 2.65Å; R305-D360 VanDerWaalsContact NH2-CG 3.33Å; R305-D360 IonicContact NH2-OD1 3.74Å; R305-D360 PolarHBondContact NH2-OD1 2.86Å; R305-D360 IonicContact NH2-OD2 3.09Å; R305-D360 PolarHBondContact NH2-OD2 3.01Å; T358-D360 VanDerWaalsContact C-N 3.35Å; T358-D360 PolarHBondContact O-N 2.68Å; D360-C363 WeakPolarHBondContact O-CB 3.37Å; D360-C363 PolarHBondContact O-N 2.95Å; D360-A364 PolarHBondContact O-N 2.97Å; D360-P388 HydrophobicContact CB-CB 3.98Å; D360-P388 HydrophobicContact CB-CG 4.03Å |
| 361 | E | 93.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 171.7 | -68 | 175.8 | 124.5 | 0 | 0 | 112 | S349 F351 L357 T358 C363 A364 A365 P388 | S349-E361 VanDerWaalsContact O-CB 3.27Å; S349-E361 WeakPolarHBondContact O-CB 3.43Å; S349-E361 VanDerWaalsContact O-CG 3.26Å; S349-E361 WeakPolarHBondContact O-CG 3.48Å; F351-E361 HydrophobicContact CD2-CG 3.67Å; F351-E361 WeakPolarHBondContact CD2-OE1 3.46Å; F351-E361 HydrophobicContact CE2-CG 3.8Å; F351-E361 PolarHBondContact N-OE1 3.41Å; L357-E361 HydrophobicContact CB-CB 4.04Å; L357-E361 HydrophobicContact CD2-CB 3.85Å; T358-E361 VanDerWaalsContact CB-OE2 3.25Å; T358-E361 WeakPolarHBondContact CB-OE2 3.35Å; T358-E361 VanDerWaalsContact CG2-OE2 3.24Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.24Å; T358-E361 PolarHBondContact N-OE2 2.91Å; T358-E361 PolarHBondContact O-N 3.26Å; T358-E361 VanDerWaalsContact OG1-CD 3.32Å; T358-E361 WeakPolarHBondContact OG1-CG 3.43Å; T358-E361 PolarHBondContact OG1-N 2.91Å; T358-E361 PolarHBondContact OG1-OE2 3.44Å; E361-C363 VanDerWaalsContact C-N 3.31Å; E361-C363 PolarHBondContact O-N 3.23Å; E361-A364 PolarHBondContact O-N 3.06Å; E361-A365 WeakPolarHBondContact O-CB 3.49Å; E361-A365 PolarHBondContact O-N 3.42Å; E361-P388 HydrophobicContact CG-CG 3.9Å |
| 362 | F | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 170.2 | 177.5 | -90.2 | 0 | 0 | 0 | 112 | Q311 F312 I315 I323 F331 F332 L357 T358 F366 | Q311-F362 HydrophobicContact CB-CE1 4.15Å; Q311-F362 HydrophobicContact CB-CZ 4.18Å; F312-F362 HydrophobicContact CB-CD1 3.8Å; F312-F362 HydrophobicContact CB-CE1 3.81Å; F312-F362 HydrophobicContact CD2-CB 3.7Å; F312-F362 AromaticContact CD2-CD1 3.73Å; F312-F362 HydrophobicContact CD2-CD1 3.73Å; F312-F362 HydrophobicContact CD2-CD2 4.39Å; F312-F362 HydrophobicContact CD2-CE1 4.45Å; F312-F362 AromaticContact CD2-CG 3.68Å; F312-F362 HydrophobicContact CD2-CG 3.68Å; F312-F362 HydrophobicContact CE2-CB 4.11Å; F312-F362 HydrophobicContact CE2-CG 4.47Å; F312-F362 HydrophobicContact CG-CD1 4.27Å; I315-F362 HydrophobicContact CD1-CD2 4.4Å; I315-F362 HydrophobicContact CD1-CE2 3.45Å; I315-F362 VanDerWaalsContact CD1-CE2 3.45Å; I315-F362 HydrophobicContact CD1-CZ 3.79Å; I323-F362 HydrophobicContact CD1-CB 4.46Å; I323-F362 HydrophobicContact CD1-CD2 3.65Å; I323-F362 HydrophobicContact CD1-CE2 4.08Å; I323-F362 HydrophobicContact CD1-CG 4.11Å; F331-F362 AromaticContact CD1-CE2 3.85Å; F331-F362 HydrophobicContact CD1-CE2 3.85Å; F331-F362 HydrophobicContact CD1-CZ 4.09Å; F331-F362 AromaticContact CE1-CE2 3.87Å; F331-F362 HydrophobicContact CE1-CE2 3.87Å; F331-F362 AromaticContact CE1-CZ 3.61Å; F331-F362 HydrophobicContact CE1-CZ 3.61Å; F331-F362 HydrophobicContact CZ-CZ 4.26Å; F332-F362 HydrophobicContact CE1-CD2 4.4Å; F332-F362 HydrophobicContact CE1-CE2 4.06Å; F332-F362 AromaticContact CZ-CD2 3.79Å; F332-F362 HydrophobicContact CZ-CD2 3.79Å; F332-F362 AromaticContact CZ-CE2 3.86Å; F332-F362 HydrophobicContact CZ-CE2 3.86Å; L357-F362 HydrophobicContact CB-CB 4.39Å; T358-F362 WeakPolarHBondContact O-CB 3.26Å; T358-F362 PolarHBondContact O-N 3.03Å; F362-F366 HydrophobicContact CE1-CB 4.26Å; F362-F366 HydrophobicContact CZ-CB 4.44Å; F362-F366 HydrophobicContact CZ-CD2 4.19Å; F362-F366 WeakPolarHBondContact O-CB 3.46Å; F362-F366 PolarHBondContact O-N 2.93Å |
| 363 | C | 93.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 174 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | I300 Y308 L359 D360 E361 H367 | I300-C363 HydrophobicContact CD1-CB 4Å; Y308-C363 HydrophobicContact CD2-CB 4.29Å; L359-C363 PolarHBondContact O-N 2.92Å; L359-C363 PolarHBondContact O-SG 3.41Å; D360-C363 WeakPolarHBondContact O-CB 3.37Å; D360-C363 PolarHBondContact O-N 2.95Å; E361-C363 VanDerWaalsContact C-N 3.31Å; E361-C363 PolarHBondContact O-N 3.23Å; C363-H367 VanDerWaalsContact O-CB 3.25Å; C363-H367 WeakPolarHBondContact O-CB 3.45Å; C363-H367 PolarHBondContact O-N 3.48Å |
| 364 | A | 92.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -54.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D360 E361 F366 H367 L368 L382 L386 | D360-A364 PolarHBondContact O-N 2.97Å; E361-A364 PolarHBondContact O-N 3.06Å; A364-F366 PolarHBondContact O-N 3.42Å; A364-H367 PolarHBondContact O-N 2.84Å; A364-L368 WeakPolarHBondContact O-CG 3.4Å; A364-L368 PolarHBondContact O-N 2.92Å; A364-L382 HydrophobicContact CB-CD2 4.31Å; A364-L386 HydrophobicContact CB-CB 4.28Å |
| 365 | A | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.2 | -46.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F332 I345 S349 L357 E361 L368 V369 | F332-A365 HydrophobicContact CE1-CB 4.24Å; F332-A365 HydrophobicContact CE2-CB 3.96Å; F332-A365 HydrophobicContact CZ-CB 3.51Å; I345-A365 HydrophobicContact CG2-CB 4.12Å; S349-A365 VanDerWaalsContact OG-CA 3.3Å; S349-A365 WeakPolarHBondContact OG-CA 3.31Å; S349-A365 WeakPolarHBondContact OG-CB 3.36Å; S349-A365 PolarHBondContact OG-N 3.11Å; L357-A365 HydrophobicContact CD1-CB 4.25Å; E361-A365 WeakPolarHBondContact O-CB 3.49Å; E361-A365 PolarHBondContact O-N 3.42Å; A365-L368 PolarHBondContact O-N 3.48Å; A365-V369 WeakPolarHBondContact O-CG2 3.43Å; A365-V369 PolarHBondContact O-N 3.38Å |
| 366 | F | 94.6 | Very high | 91.6 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 10% | 0.096 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.2 | -35.2 | 179.5 | -168.3 | -92 | 0 | 0 | 0 | 112.3 | Y307 Y308 Q311 F331 F332 F362 A364 V369 V370 | Y307-F366 HydrophobicContact CD1-CE1 4.35Å; Y307-F366 AromaticContact CE1-CE1 3.9Å; Y307-F366 HydrophobicContact CE1-CE1 3.9Å; Y307-F366 HydrophobicContact CE1-CZ 4.12Å; Y308-F366 AromaticContact CD1-CD1 3.26Å; Y308-F366 HydrophobicContact CD1-CD1 3.26Å; Y308-F366 AromaticContact CD1-CE1 3.5Å; Y308-F366 HydrophobicContact CD1-CE1 3.5Å; Y308-F366 VanDerWaalsContact CD1-CE1 3.5Å; Y308-F366 HydrophobicContact CD1-CG 4.39Å; Y308-F366 HydrophobicContact CD2-CD1 4.46Å; Y308-F366 AromaticContact CE1-CD1 3.4Å; Y308-F366 HydrophobicContact CE1-CD1 3.4Å; Y308-F366 VanDerWaalsContact CE1-CD1 3.4Å; Y308-F366 AromaticContact CE1-CE1 3.55Å; Y308-F366 HydrophobicContact CE1-CE1 3.55Å; Y308-F366 AromaticContact CG-CD1 3.86Å; Y308-F366 HydrophobicContact CG-CD1 3.86Å; Y308-F366 HydrophobicContact CG-CE1 4.48Å; Q311-F366 HydrophobicContact CG-CE1 4.46Å; Q311-F366 HydrophobicContact CG-CE2 4.4Å; Q311-F366 HydrophobicContact CG-CZ 4.02Å; F331-F366 AromaticContact CE1-CD2 3.68Å; F331-F366 HydrophobicContact CE1-CD2 3.68Å; F331-F366 AromaticContact CE1-CE2 3.61Å; F331-F366 HydrophobicContact CE1-CE2 3.61Å; F331-F366 HydrophobicContact CZ-CD2 4.48Å; F331-F366 HydrophobicContact CZ-CE2 4.03Å; F332-F366 HydrophobicContact CE1-CB 4.1Å; F332-F366 HydrophobicContact CE1-CD2 4.04Å; F362-F366 HydrophobicContact CE1-CB 4.26Å; F362-F366 HydrophobicContact CZ-CB 4.44Å; F362-F366 HydrophobicContact CZ-CD2 4.19Å; F362-F366 WeakPolarHBondContact O-CB 3.46Å; F362-F366 PolarHBondContact O-N 2.93Å; A364-F366 PolarHBondContact O-N 3.42Å; F366-V369 PolarHBondContact O-N 2.83Å; F366-V370 HydrophobicContact CD1-CG2 3.95Å; F366-V370 HydrophobicContact CE1-CG2 3.65Å; F366-V370 HydrophobicContact CZ-CG2 4.26Å; F366-V370 WeakPolarHBondContact O-CG2 3.22Å; F366-V370 PolarHBondContact O-N 3.08Å |
| 367 | H | 93.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 173 | -167.3 | 75.9 | 0 | 0 | 0 | 111.6 | P297 K299 I300 Y308 C363 A364 V369 V370 A371 L386 | P297-H367 PolarHBondContact O-NE2 2.82Å; K299-H367 PolarHBondContact O-CE1 2.93Å; I300-H367 HydrophobicContact CD1-CB 4.02Å; I300-H367 HydrophobicContact CG1-CB 3.98Å; Y308-H367 HydrophobicContact CE2-CB 3.79Å; Y308-H367 AromaticContact CE2-ND1 3.73Å; Y308-H367 AromaticContact CZ-ND1 3.77Å; Y308-H367 PolarHBondContact OH-ND1 3.21Å; C363-H367 VanDerWaalsContact O-CB 3.25Å; C363-H367 WeakPolarHBondContact O-CB 3.45Å; C363-H367 PolarHBondContact O-N 3.48Å; A364-H367 PolarHBondContact O-N 2.84Å; H367-V369 PolarHBondContact O-N 2.89Å; H367-V370 PolarHBondContact O-N 3.33Å; H367-A371 WeakPolarHBondContact O-CB 3.36Å; H367-A371 PolarHBondContact O-N 3.17Å; H367-L386 HydrophobicContact CB-CD2 4.39Å |
| 368 | L | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 172.8 | -68.8 | -178.6 | 0 | 0 | 0 | 111.9 | W298 I345 L348 A364 A365 V370 A371 R372 L378 P379 L382 L386 | W298-L368 HydrophobicContact CE3-CD2 3.93Å; W298-L368 HydrophobicContact CZ3-CD2 3.61Å; I345-L368 HydrophobicContact CB-CD1 4.43Å; I345-L368 HydrophobicContact CD1-CB 4.31Å; I345-L368 HydrophobicContact CG1-CB 3.97Å; I345-L368 HydrophobicContact CG1-CD1 4.29Å; I345-L368 HydrophobicContact CG2-CB 4.01Å; I345-L368 HydrophobicContact CG2-CD1 4.11Å; L348-L368 HydrophobicContact CB-CD1 3.92Å; L348-L368 HydrophobicContact CD1-CD1 3.76Å; A364-L368 WeakPolarHBondContact O-CG 3.4Å; A364-L368 PolarHBondContact O-N 2.92Å; A365-L368 PolarHBondContact O-N 3.48Å; L368-V370 VanDerWaalsContact C-N 3.34Å; L368-V370 PolarHBondContact O-N 3.36Å; L368-A371 PolarHBondContact O-N 3.12Å; L368-R372 VanDerWaalsContact O-CB 3.25Å; L368-R372 WeakPolarHBondContact O-CB 3.45Å; L368-R372 PolarHBondContact O-N 2.81Å; L368-L378 HydrophobicContact CB-CD2 4.09Å; L368-L378 HydrophobicContact CD2-CD2 4.35Å; L368-P379 HydrophobicContact CD2-CG 4.14Å; L368-L382 HydrophobicContact CD1-CD1 3.7Å; L368-L382 HydrophobicContact CD2-CD1 3.99Å; L368-L382 HydrophobicContact CG-CD1 4.08Å; L368-L386 HydrophobicContact CD2-CD1 3.99Å; L368-L386 HydrophobicContact CG-CD1 4.49Å |
| 369 | V | 93.8 | Very high | 90 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 174.4 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | F332 S335 L337 L342 I345 A365 F366 H367 K373 | F332-V369 HydrophobicContact CD1-CG2 3.84Å; F332-V369 HydrophobicContact CE1-CG2 4.37Å; F332-V369 HydrophobicContact CG-CG2 4.37Å; S335-V369 VanDerWaalsContact CB-CG1 3.45Å; L337-V369 HydrophobicContact CD1-CB 4.27Å; L337-V369 HydrophobicContact CD1-CG1 4.01Å; L337-V369 HydrophobicContact CD1-CG2 4.26Å; L342-V369 HydrophobicContact CD2-CG2 4.17Å; I345-V369 HydrophobicContact CD1-CG2 3.76Å; I345-V369 HydrophobicContact CG2-CG2 4.16Å; A365-V369 WeakPolarHBondContact O-CG2 3.43Å; A365-V369 PolarHBondContact O-N 3.38Å; F366-V369 PolarHBondContact O-N 2.83Å; H367-V369 PolarHBondContact O-N 2.89Å; V369-K373 VanDerWaalsContact O-CB 3.23Å; V369-K373 WeakPolarHBondContact O-CB 3.43Å; V369-K373 PolarHBondContact O-N 3.02Å |
| 370 | V | 91.6 | Very high | 89 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 22% | 0.218 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -47.4 | 178.5 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | F366 H367 L368 R372 K373 N374 | F366-V370 HydrophobicContact CD1-CG2 3.95Å; F366-V370 HydrophobicContact CE1-CG2 3.65Å; F366-V370 HydrophobicContact CZ-CG2 4.26Å; F366-V370 WeakPolarHBondContact O-CG2 3.22Å; F366-V370 PolarHBondContact O-N 3.08Å; H367-V370 PolarHBondContact O-N 3.33Å; L368-V370 VanDerWaalsContact C-N 3.34Å; L368-V370 PolarHBondContact O-N 3.36Å; V370-R372 PolarHBondContact O-N 3.15Å; V370-K373 PolarHBondContact O-N 3.13Å; V370-N374 WeakPolarHBondContact O-CB 3.29Å; V370-N374 PolarHBondContact O-N 2.88Å; V370-N374 PolarHBondContact O-ND2 2.96Å; V370-N374 PolarHBondContact O-OD1 3.49Å |
| 371 | A | 89.1 | Confident | 88 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W298 H367 L368 K373 N374 G375 Y376 | W298-A371 HydrophobicContact CE3-CB 4.26Å; W298-A371 HydrophobicContact CH2-CB 4.11Å; W298-A371 HydrophobicContact CZ3-CB 3.62Å; H367-A371 WeakPolarHBondContact O-CB 3.36Å; H367-A371 PolarHBondContact O-N 3.17Å; L368-A371 PolarHBondContact O-N 3.12Å; A371-K373 PolarHBondContact O-N 2.87Å; A371-N374 WeakPolarHBondContact O-CB 3.32Å; A371-N374 PolarHBondContact O-N 3.17Å; A371-N374 VanDerWaalsContact O-N 3.11Å; A371-G375 PolarHBondContact O-N 3.03Å; A371-Y376 HydrophobicContact CB-CD2 4.25Å; A371-Y376 WeakPolarHBondContact O-CB 3.47Å; A371-Y376 WeakPolarHBondContact O-CD2 3.47Å; A371-Y376 PolarHBondContact O-N 3.35Å; A371-Y376 VanDerWaalsContact O-N 3.14Å |
| 372 | R | 90.2 | Very high | 86.9 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 179.1 | -179.3 | 50.7 | -175.1 | 169.7 | -6.1 | 112.7 | L337 E341 L368 V370 N374 G375 Y376 D377 L378 | L337-R372 HydrophobicContact CD1-CB 3.96Å; L337-R372 HydrophobicContact CD1-CG 3.88Å; L337-R372 HydrophobicContact CD2-CG 3.89Å; E341-R372 IonicContact OE1-CZ 3.37Å; E341-R372 IonicContact OE1-NE 3.84Å; E341-R372 PolarHBondContact OE1-NE 3.44Å; E341-R372 IonicContact OE1-NH2 3.74Å; E341-R372 PolarHBondContact OE1-NH2 3.37Å; E341-R372 WeakPolarHBondContact OE2-CG 3.26Å; E341-R372 IonicContact OE2-CZ 2.73Å; E341-R372 IonicContact OE2-NE 3.38Å; E341-R372 PolarHBondContact OE2-NE 3.42Å; E341-R372 IonicContact OE2-NH2 2.85Å; L368-R372 VanDerWaalsContact O-CB 3.25Å; L368-R372 WeakPolarHBondContact O-CB 3.45Å; L368-R372 PolarHBondContact O-N 2.81Å; V370-R372 PolarHBondContact O-N 3.15Å; R372-N374 PolarHBondContact O-N 2.9Å; R372-G375 PolarHBondContact O-N 2.98Å; R372-Y376 WeakPolarHBondContact CA-O 3.43Å; R372-Y376 WeakPolarHBondContact CD-O 3.38Å; R372-Y376 PolarHBondContact NH1-O 3.16Å; R372-D377 IonicContact CZ-OD1 3.49Å; R372-D377 IonicContact NH1-OD1 2.93Å; R372-D377 PolarHBondContact NH1-OD1 3.46Å; R372-L378 HydrophobicContact CB-CD2 3.95Å; R372-L378 HydrophobicContact CB-CG 4.15Å; R372-L378 HydrophobicContact CG-CD1 4.27Å; R372-L378 HydrophobicContact CG-CD2 4.43Å; R372-L378 HydrophobicContact CG-CG 4.1Å |
| 373 | K | 89.8 | Confident | 85.8 | Confident | 130 Ų | 130 | 51.7 Ų | 51.7 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.8 | -24.4 | 175.4 | -166.1 | -169.3 | 71.1 | -177.3 | 0 | 112.9 | L337 V369 V370 A371 G375 | L337-K373 HydrophobicContact CD2-CB 4.29Å; V369-K373 VanDerWaalsContact O-CB 3.23Å; V369-K373 WeakPolarHBondContact O-CB 3.43Å; V369-K373 PolarHBondContact O-N 3.02Å; V370-K373 PolarHBondContact O-N 3.13Å; A371-K373 PolarHBondContact O-N 2.87Å; K373-G375 VanDerWaalsContact C-N 3.26Å |
| 374 | N | 87.9 | Confident | 84.2 | Confident | 108 Ų | 108 | 58.7 Ų | 58.7 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.9 | 173.3 | -66.2 | -12.4 | 0 | 0 | 0 | 113.4 | V370 A371 R372 Y376 | V370-N374 WeakPolarHBondContact O-CB 3.29Å; V370-N374 PolarHBondContact O-N 2.88Å; V370-N374 PolarHBondContact O-ND2 2.96Å; V370-N374 PolarHBondContact O-OD1 3.49Å; A371-N374 WeakPolarHBondContact O-CB 3.32Å; A371-N374 PolarHBondContact O-N 3.17Å; A371-N374 VanDerWaalsContact O-N 3.11Å; R372-N374 PolarHBondContact O-N 2.9Å; N374-Y376 HydrophobicContact CB-CD2 4.32Å; N374-Y376 HydrophobicContact CB-CE2 4.48Å |
| 375 | G | 84.1 | Confident | 82.8 | Confident | 58 Ų | 58 | 61 Ų | 61 | 60% | 0.598 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 6.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A371 R372 K373 | A371-G375 PolarHBondContact O-N 3.03Å; R372-G375 PolarHBondContact O-N 2.98Å; K373-G375 VanDerWaalsContact C-N 3.26Å |
| 376 | Y | 85.7 | Confident | 81.5 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 35% | 0.345 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 144 | 169.4 | -63.3 | -66 | 0 | 0 | 0 | 110.4 | D295 P297 A371 R372 N374 | D295-Y376 PolarHBondContact OD1-OH 3.21Å; P297-Y376 HydrophobicContact CB-CD1 4.12Å; P297-Y376 HydrophobicContact CB-CD2 3.87Å; P297-Y376 HydrophobicContact CB-CE1 4.03Å; P297-Y376 HydrophobicContact CB-CE2 3.75Å; P297-Y376 HydrophobicContact CB-CG 4.05Å; P297-Y376 HydrophobicContact CG-CD1 4.02Å; P297-Y376 HydrophobicContact CG-CD2 4.43Å; P297-Y376 HydrophobicContact CG-CE1 3.55Å; P297-Y376 HydrophobicContact CG-CE2 3.99Å; P297-Y376 HydrophobicContact CG-CG 4.44Å; A371-Y376 HydrophobicContact CB-CD2 4.25Å; A371-Y376 WeakPolarHBondContact O-CB 3.47Å; A371-Y376 WeakPolarHBondContact O-CD2 3.47Å; A371-Y376 PolarHBondContact O-N 3.35Å; A371-Y376 VanDerWaalsContact O-N 3.14Å; R372-Y376 WeakPolarHBondContact CA-O 3.43Å; R372-Y376 WeakPolarHBondContact CD-O 3.38Å; R372-Y376 PolarHBondContact NH1-O 3.16Å; N374-Y376 HydrophobicContact CB-CD2 4.32Å; N374-Y376 HydrophobicContact CB-CE2 4.48Å |
| 377 | D | 84.1 | Confident | 80.2 | Confident | 124 Ų | 124 | 65 Ų | 65 | 66% | 0.663 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 142.9 | 174.1 | -69 | -44.1 | 0 | 0 | 0 | 110.8 | W298 R372 | W298-D377 VanDerWaalsContact CH2-O 3.24Å; W298-D377 WeakPolarHBondContact CH2-O 3.42Å; W298-D377 WeakPolarHBondContact CZ2-O 3.48Å; R372-D377 IonicContact CZ-OD1 3.49Å; R372-D377 IonicContact NH1-OD1 2.93Å; R372-D377 PolarHBondContact NH1-OD1 3.46Å |
| 378 | L | 84.8 | Confident | 78.6 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 18% | 0.183 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 139.3 | -178.6 | -72 | 168.5 | 0 | 0 | 0 | 110.9 | E341 I345 L368 R372 | E341-L378 HydrophobicContact CB-CD1 3.89Å; E341-L378 HydrophobicContact CG-CD1 4.2Å; I345-L378 HydrophobicContact CD1-CD1 3.99Å; I345-L378 HydrophobicContact CD1-CD2 3.91Å; I345-L378 HydrophobicContact CG1-CD1 3.73Å; I345-L378 HydrophobicContact CG1-CD2 3.61Å; I345-L378 HydrophobicContact CG1-CG 4.34Å; L368-L378 HydrophobicContact CB-CD2 4.09Å; L368-L378 HydrophobicContact CD2-CD2 4.35Å; R372-L378 HydrophobicContact CB-CD2 3.95Å; R372-L378 HydrophobicContact CB-CG 4.15Å; R372-L378 HydrophobicContact CG-CD1 4.27Å; R372-L378 HydrophobicContact CG-CD2 4.43Å; R372-L378 HydrophobicContact CG-CG 4.1Å |
| 379 | P | 78.9 | Confident | 76.5 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 16% | 0.156 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 148.7 | -179.9 | 33.2 | -35.5 | 0 | 0 | 0 | 110.6 | W298 H344 L348 L368 K381 P383 | W298-P379 HydrophobicContact CZ3-CG 4.48Å; H344-P379 PolarHBondContact NE2-O 3.43Å; L348-P379 HydrophobicContact CD1-CG 4.3Å; L348-P379 WeakPolarHBondContact CD1-O 3.41Å; L368-P379 HydrophobicContact CD2-CG 4.14Å; P379-K381 WeakPolarHBondContact CB-O 3.43Å; P379-K381 PolarHBondContact O-N 3.14Å; P379-P383 HydrophobicContact CG-CG 4.36Å |
| 380 | E | 71.9 | Confident | 73.9 | Confident | 165 Ų | 165 | 81.3 Ų | 81.3 | 77% | 0.771 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -68.4 | -26.2 | 176.8 | -165.1 | -166.6 | 151.7 | 0 | 0 | 112.2 | ||
| 381 | K | 69 | Low | 71.4 | Confident | 160 Ų | 160 | 85.7 Ų | 85.7 | 70% | 0.696 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -141.4 | 142 | 178.5 | -61.9 | 176.1 | -174 | 170.8 | 0 | 108.1 | P379 P383 | P379-K381 WeakPolarHBondContact CB-O 3.43Å; P379-K381 PolarHBondContact O-N 3.14Å; K381-P383 WeakPolarHBondContact O-CD 3.32Å |
| 382 | L | 70.3 | Confident | 68.8 | Low | 26 Ų | 26 | 93.1 Ų | 93.1 | 14% | 0.136 | 48% | 0.476 | C | S | . | . | trans | -65.2 | 132 | -174.5 | -164.3 | 79.7 | 0 | 0 | 0 | 111.2 | L348 F351 A364 L368 L386 M387 | L348-L382 HydrophobicContact CB-CD1 4.27Å; L348-L382 HydrophobicContact CD2-CB 4.37Å; F351-L382 HydrophobicContact CE1-CD2 3.52Å; F351-L382 HydrophobicContact CE2-CD2 4.38Å; F351-L382 HydrophobicContact CZ-CD2 3.2Å; A364-L382 HydrophobicContact CB-CD2 4.31Å; L368-L382 HydrophobicContact CD1-CD1 3.7Å; L368-L382 HydrophobicContact CD2-CD1 3.99Å; L368-L382 HydrophobicContact CG-CD1 4.08Å; L382-L386 HydrophobicContact CD1-CB 4.05Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.66Å; L382-L386 HydrophobicContact CG-CB 3.82Å; L382-L386 HydrophobicContact CG-CD1 4.49Å; L382-M387 HydrophobicContact CD2-CG 4.42Å | ||
| 383 | P | 70.8 | Confident | 66.4 | Low | 29 Ų | 29 | 98 Ų | 98 | 19% | 0.188 | 51% | 0.505 | C | S | . | . | trans | -56.3 | 143.6 | 173.8 | -29.5 | 37.4 | 0 | 0 | 0 | 113.6 | W298 P379 K381 S385 L386 | W298-P383 HydrophobicContact CB-CB 4.1Å; W298-P383 HydrophobicContact CB-CG 3.88Å; W298-P383 HydrophobicContact CD2-CG 4.23Å; W298-P383 HydrophobicContact CG-CG 3.83Å; P379-P383 HydrophobicContact CG-CG 4.36Å; K381-P383 WeakPolarHBondContact O-CD 3.32Å; P383-S385 WeakPolarHBondContact CB-OG 3.29Å; P383-S385 PolarHBondContact O-N 2.88Å; P383-L386 PolarHBondContact O-N 3.07Å | ||
| 384 | E | 61 | Low | 63.8 | Low | 148 Ų | 148 | 99.4 Ų | 99.4 | 69% | 0.692 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -17.4 | 175.4 | -65.5 | -174.1 | 173.9 | 0 | 0 | 113 | K94 | K94-E384 IonicContact NZ-OE1 2.74Å; K94-E384 IonicContact NZ-OE2 3.81Å |
| 385 | S | 62.3 | Low | 61.2 | Low | 49 Ų | 49 | 101 Ų | 101 | 34% | 0.343 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -20 | 175.4 | 52.5 | 0 | 0 | 0 | 0 | 115 | W298 P383 | W298-S385 VanDerWaalsContact O-CB 3.32Å; W298-S385 WeakPolarHBondContact O-CB 3.27Å; W298-S385 PolarHBondContact O-OG 3.35Å; P383-S385 WeakPolarHBondContact CB-OG 3.29Å; P383-S385 PolarHBondContact O-N 2.88Å |
| 386 | L | 67.4 | Low | 58.8 | Low | 9 Ų | 9 | 104.3 Ų | 104.3 | 5% | 0.047 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -4.7 | -176.8 | -60.8 | 178 | 0 | 0 | 0 | 113.3 | W298 I300 A364 H367 L368 L382 P383 | W298-L386 HydrophobicContact CB-CD1 4.3Å; W298-L386 HydrophobicContact CE3-CD1 4.26Å; W298-L386 VanDerWaalsContact O-CD2 3.29Å; W298-L386 WeakPolarHBondContact O-CD2 3.29Å; W298-L386 WeakPolarHBondContact O-CG 3.39Å; I300-L386 HydrophobicContact CD1-CD2 3.8Å; I300-L386 HydrophobicContact CG1-CD2 3.61Å; A364-L386 HydrophobicContact CB-CB 4.28Å; H367-L386 HydrophobicContact CB-CD2 4.39Å; L368-L386 HydrophobicContact CD2-CD1 3.99Å; L368-L386 HydrophobicContact CG-CD1 4.49Å; L382-L386 HydrophobicContact CD1-CB 4.05Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.66Å; L382-L386 HydrophobicContact CG-CB 3.82Å; L382-L386 HydrophobicContact CG-CD1 4.49Å; P383-L386 PolarHBondContact O-N 3.07Å |
| 387 | M | 66.8 | Low | 56.4 | Low | 98 Ų | 98 | 104.4 Ų | 104.4 | 48% | 0.483 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -68.2 | 132.1 | 173.7 | -65.8 | -175.4 | 68.2 | 0 | 0 | 111 | F351 L382 K389 | F351-M387 HydrophobicContact CE1-CG 4.08Å; L382-M387 HydrophobicContact CD2-CG 4.42Å; M387-K389 PolarHBondContact O-N 3.26Å; M387-K389 VanDerWaalsContact O-N 3.16Å |
| 388 | P | 58.8 | Low | 53.8 | Low | 46 Ų | 46 | 107.3 Ų | 107.3 | 30% | 0.299 | 57% | 0.57 | S | S | . | * | trans | -52.6 | 119.8 | 168.7 | -27.7 | 34.4 | 0 | 0 | 0 | 110.7 | F351 D360 E361 L390 | F351-P388 HydrophobicContact CD2-CG 3.96Å; F351-P388 HydrophobicContact CE2-CG 3.54Å; F351-P388 HydrophobicContact CZ-CG 4.12Å; D360-P388 HydrophobicContact CB-CB 3.98Å; D360-P388 HydrophobicContact CB-CG 4.03Å; E361-P388 HydrophobicContact CG-CG 3.9Å; P388-L390 PolarHBondContact O-N 3.32Å | ||
| 389 | K | 48.7 | Very low | 51.6 | Low | 143 Ų | 143 | 112 Ų | 112 | 62% | 0.622 | 60% | 0.599 | S | S | * | * | trans | -79.9 | 99.9 | 172.8 | -69.4 | -179.8 | -178.9 | 175.7 | 0 | 107.3 | M387 I391 | M387-K389 PolarHBondContact O-N 3.26Å; M387-K389 VanDerWaalsContact O-N 3.16Å; K389-I391 WeakPolarHBondContact O-CG1 3.39Å; K389-I391 PolarHBondContact O-N 2.79Å | ||
| 390 | L | 39.3 | Very low | 49.8 | Very low | 169 Ų | 169 | 116.1 Ų | 116.1 | 89% | 0.885 | 63% | 0.626 | S | S | * | * | trans | -50.2 | 117.5 | 170.2 | -164.3 | 72.8 | 0 | 0 | 0 | 108 | P388 D392 | P388-L390 PolarHBondContact O-N 3.32Å; L390-D392 PolarHBondContact O-N 3.05Å | ||
| 391 | I | 39.5 | Very low | 48 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | trans | -82.1 | 120.2 | -171.8 | -57.2 | 175.9 | 0 | 0 | 0 | 107.8 | K389 L393 | K389-I391 WeakPolarHBondContact O-CG1 3.39Å; K389-I391 PolarHBondContact O-N 2.79Å; I391-L393 PolarHBondContact O-N 2.93Å | ||
| 392 | D | 33.4 | Very low | 47 | Very low | 161 Ų | 161 | 113.9 Ų | 113.9 | 86% | 0.861 | 63% | 0.629 | S | S | * | * | trans | -58.8 | 101.1 | 173.8 | -70.8 | -49.2 | 0 | 0 | 0 | 110.4 | L390 | L390-D392 PolarHBondContact O-N 3.05Š| ||
| 393 | L | 40.6 | Very low | 45.2 | Very low | 160 Ų | 160 | 116.3 Ų | 116.3 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | trans | -100.2 | 39.8 | 176.7 | -89.3 | 167.8 | 0 | 0 | 0 | 111.3 | I391 | I391-L393 PolarHBondContact O-N 2.93Š| ||
| 394 | D | 35.8 | Very low | 43.4 | Very low | 158 Ų | 158 | 119.5 Ų | 119.5 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | -148.9 | 90.8 | 173.9 | -105 | -35.9 | 0 | 0 | 0 | 112.6 | ||||
| 395 | D | 31.7 | Very low | 42 | Very low | 141 Ų | 141 | 120.7 Ų | 120.7 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | trans | -159.1 | 105.8 | 135.5 | -177.6 | 17.9 | 0 | 0 | 0 | 110.5 | ||||
| 396 | S | 35.2 | Very low | 40.8 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 90% | 0.895 | 71% | 0.709 | S | S | * | * | trans | -160.8 | 49.5 | 164 | -80.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 397 | A | 35.2 | Very low | 38.9 | Very low | 90 Ų | 90 | 128 Ų | 128 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | -148.2 | 43.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V399 | A397-V399 PolarHBondContact O-N 3.28Š| ||
| 398 | E | 29.4 | Very low | 37.4 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -73.4 | 108.9 | 173.7 | -169.8 | -177.4 | -159.4 | 0 | 0 | 112.2 | ||||
| 399 | V | 36.8 | Very low | 36.3 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -136.9 | 135.8 | 158.3 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | A397 | A397-V399 PolarHBondContact O-N 3.28Š| ||
| 400 | P | 43 | Very low | 35.4 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -87.4 | 151.1 | -157.7 | -13.6 | 32.1 | 0 | 0 | 0 | 117.5 | ||||
| 401 | E | 33.4 | Very low | 34.9 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -47.7 | 155.3 | 157.1 | -103.4 | -91.8 | 133.8 | 0 | 0 | 113.5 | A403 | E401-A403 PolarHBondContact OE2-N 3.04Š| ||
| 402 | P | 46.9 | Very low | 35.4 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | -150.6 | 132.6 | 82.6 | 36.8 | -16.5 | 0 | 0 | 0 | 119.5 | |||||
| 403 | A | 33.9 | Very low | 35.2 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | 63.3 | 128.7 | 131.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | E401 | E401-A403 PolarHBondContact OE2-N 3.04Š| ||
| 404 | A | 32.5 | Very low | 34.7 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | -176 | 131.3 | 106.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 405 | E | 31.7 | Very low | 34.7 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 49.8 | 124.4 | 143.6 | -64.9 | -137.3 | 119.9 | 0 | 0 | 125.8 | ||||
| 406 | V | 35.9 | Very low | 34.7 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 59.1 | 138.4 | 138 | -50.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 407 | G | 29.1 | Very low | 35 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 162.1 | 114.6 | 158 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 408 | Y | 34.6 | Very low | 34.7 | Very low | 231 Ų | 231 | 133.1 Ų | 133.1 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -57.1 | 135.9 | -178.2 | -79.1 | -106.5 | 0 | 0 | 0 | 118.4 | ||||
| 409 | S | 36.8 | Very low | 34.9 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | 53 | 150.7 | 124.4 | -149.6 | 0 | 0 | 0 | 0 | 124 | |||||
| 410 | A | 28.4 | Very low | 34.8 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 91.7 | 151.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 411 | S | 29.8 | Very low | 34.6 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -171 | 163.6 | -169.5 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 412 | P | 49.1 | Very low | 34.4 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -120.9 | 168.9 | -15.4 | 36.8 | -23.2 | 0 | 0 | 0 | 113.5 | ||||
| 413 | V | 30.3 | Very low | 33.8 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -142.6 | 142.8 | 154.3 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 414 | E | 29.8 | Very low | 34.1 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -108.7 | 129.7 | -174.6 | 177.1 | -165.4 | 137.3 | 0 | 0 | 112 | ||||
| 415 | V | 34.8 | Very low | 34.1 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | -156.2 | 143.6 | 153.8 | -120.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 416 | T | 33.2 | Very low | 34.2 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -125.6 | 164 | 168 | 70.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 417 | P | 40.2 | Very low | 33.8 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | -146.5 | 166.2 | 49.5 | 40.1 | -19 | 0 | 0 | 0 | 118.8 | ||||
| 418 | N | 29.8 | Very low | 33.9 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | 21.4 | 126.3 | 151.4 | -66 | -16.3 | 0 | 0 | 0 | 121.1 | ||||
| 419 | K | 32.9 | Very low | 33.5 | Very low | 203 Ų | 203 | 135.1 Ų | 135.1 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | -176.9 | 141.4 | 92.2 | -165.3 | 161.6 | -174.3 | 172.2 | 0 | 113.1 | |||||
| 420 | S | 35.9 | Very low | 33.2 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -83.6 | 154.3 | -178 | -28.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 421 | P | 38.5 | Very low | 33.6 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -114.5 | 147.3 | 153.1 | 36.3 | -26.8 | 0 | 0 | 0 | 112.7 | ||||
| 422 | S | 29 | Very low | 33.4 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 165 | -179.2 | -56.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 423 | M | 34.3 | Very low | 32.3 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 148.4 | 177 | -60 | -159 | -59.9 | 0 | 0 | 113.7 | ||
| 424 | P | 40.2 | Very low | 32.3 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 151.3 | 166 | 34.9 | -33.7 | 0 | 0 | 0 | 111.9 | ||
| 425 | S | 31.6 | Very low | 32.3 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -142.2 | 126.4 | 168.1 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 426 | L | 34.5 | Very low | 32.1 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | -159.7 | 145 | 148.1 | -157.3 | 64.6 | 0 | 0 | 0 | 112.7 | ||||
| 427 | N | 28 | Very low | 31.7 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | trans | -61.3 | 153.2 | 177.5 | -40.4 | -78.3 | 0 | 0 | 0 | 114.5 | ||||
| 428 | Q | 30.6 | Very low | 31.2 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | -165.2 | 120.3 | 116 | -108.2 | 159.8 | 106.8 | 0 | 0 | 116 | |||||
| 429 | A | 26.3 | Very low | 31 | Very low | 85 Ų | 85 | 146.3 Ų | 146.3 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | 25 | 123.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 430 | W | 29.5 | Very low | 30.8 | Very low | 251 Ų | 251 | 147.7 Ų | 147.7 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | -125.8 | 144.9 | 128.3 | -84.3 | 96.5 | 0 | 0 | 0 | 109.1 | |||||
| 431 | P | 37.4 | Very low | 30.6 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -90.5 | 150.9 | -171.5 | -8.6 | 28.4 | 0 | 0 | 0 | 116.1 | ||||
| 432 | E | 25.9 | Very low | 30.1 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -7.1 | 149.9 | 146.6 | -85.1 | 178.4 | 107.9 | 0 | 0 | 120 | ||||
| 433 | M | 26.8 | Very low | 29.9 | Very low | 155 Ų | 155 | 154.4 Ų | 154.4 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | cis | -135.5 | 152 | 20.8 | -96.3 | 142.5 | -77.4 | 0 | 0 | 110.4 | ||||
| 434 | N | 28.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | 70.4 | 142.7 | 52.8 | -142.7 | 20.2 | 0 | 0 | 0 | 112.9 | |||||
| 435 | Q | 31.6 | Very low | 29 | Very low | 148 Ų | 148 | 153 Ų | 153 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | cis | -150.9 | 174.1 | -2.5 | -148.5 | 158.8 | 17.4 | 0 | 0 | 106.1 | ||||
| 436 | S | 29.3 | Very low | 28.8 | Very low | 102 Ų | 102 | 157.1 Ų | 157.1 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | cis | -157.3 | 154.6 | 12.7 | -34.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 437 | N | 25.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -157.6 | 77.5 | 141.8 | -174.1 | 87.6 | 0 | 0 | 0 | 110.5 | ||||
| 438 | E | 28.2 | Very low | 28.5 | Very low | 184 Ų | 184 | 154 Ų | 154 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -133.5 | 107.6 | 169.2 | -69.9 | -176 | 127.2 | 0 | 0 | 108.7 | ||||
| 439 | Q | 26.6 | Very low | 28.3 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 66% | 0.659 | 77% | 0.77 | S | S | * | * | trans | -163.8 | 92.3 | 161.4 | -176.6 | 177.8 | -31 | 0 | 0 | 108.8 | ||||
| 440 | W | 28 | Very low | 28.6 | Very low | 232 Ų | 232 | 151.4 Ų | 151.4 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -175.6 | 72.7 | 140.8 | -83.6 | 127.6 | 0 | 0 | 0 | 108.5 | ||||
| 441 | E | 32.7 | Very low | 28.7 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -144.9 | 160.9 | 156 | -97.6 | -49.4 | 153.1 | 0 | 0 | 109.6 | ||||
| 442 | T | 27.5 | Very low | 28.4 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | 69.9 | 89.9 | -172 | -44.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 443 | F | 23.9 | Very low | 28.5 | Very low | 205 Ų | 205 | 149 Ų | 149 | 90% | 0.899 | 78% | 0.779 | S | S | * | * | -161.2 | 88.6 | 125.8 | -113.2 | -67.9 | 0 | 0 | 0 | 110.9 | |||||
| 444 | S | 27.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -157.8 | 145.2 | 161.5 | -90 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 445 | E | 27.8 | Very low | 29 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | 62.3 | 143.8 | -173.1 | -55.8 | -144.9 | -174.5 | 0 | 0 | 115.8 | ||||
| 446 | R | 27.5 | Very low | 29.2 | Very low | 203 Ų | 203 | 152.3 Ų | 152.3 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | cis | -144.6 | 141.5 | 7.9 | -137.5 | 156.3 | -174.4 | -104.7 | -0.9 | 110.1 | ||||
| 447 | S | 27.3 | Very low | 29.1 | Very low | 106 Ų | 106 | 155.2 Ų | 155.2 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | -169.6 | 134.3 | 87.5 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 448 | S | 29.4 | Very low | 29.4 | Very low | 108 Ų | 108 | 151.2 Ų | 151.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | 64 | 129.7 | 94.3 | -150.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 449 | S | 26.9 | Very low | 29.5 | Very low | 98 Ų | 98 | 150.8 Ų | 150.8 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | -163.6 | 159.5 | 52 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 450 | S | 32.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -84.1 | 154.7 | 159.1 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 451 | Q | 31.2 | Very low | 30.1 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -118.2 | 131.7 | 163.1 | -73 | -166.8 | 1.6 | 0 | 0 | 110.8 | ||||
| 452 | T | 31.3 | Very low | 30.8 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -116.7 | 141.2 | 162.4 | -61.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 453 | L | 28.7 | Very low | 31.1 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -69.9 | 139.3 | -176.5 | -178.5 | 152.2 | 0 | 0 | 0 | 111.1 | ||||
| 454 | T | 35.7 | Very low | 31.5 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -134.9 | 151.8 | 167.7 | -32.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 455 | Q | 30.1 | Very low | 32.3 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -91.4 | 152 | -161.4 | -167.5 | 167.3 | -12.7 | 0 | 0 | 113.1 | ||||
| 456 | F | 34.8 | Very low | 32.4 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | trans | -81.4 | 151.1 | -179.4 | -16.4 | -89 | 0 | 0 | 0 | 111.9 | ||||
| 457 | D | 28.1 | Very low | 33.1 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -138.9 | 161.3 | 158.1 | -149.1 | -20.5 | 0 | 0 | 0 | 110.4 | ||||
| 458 | S | 31.5 | Very low | 33.7 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 54% | 0.538 | 79% | 0.787 | S | S | . | * | trans | -120.4 | 154.5 | -150.4 | -56.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 459 | N | 30.3 | Very low | 34.1 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -149.7 | 138.4 | 148.5 | -99.1 | -72.9 | 0 | 0 | 0 | 109 | ||||
| 460 | I | 34.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -138 | 140.1 | -157.9 | -66.5 | 170.1 | 0 | 0 | 0 | 111.3 | ||||
| 461 | A | 33.4 | Very low | 34.9 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | 173.9 | 155.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 462 | P | 47.9 | Very low | 35.5 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -138.8 | -171.9 | -37.4 | 40 | -23.2 | 0 | 0 | 0 | 114.1 | ||||
| 463 | A | 32.5 | Very low | 35.7 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 84 | 102.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 464 | D | 33.2 | Very low | 36.2 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | 70.4 | 140.5 | 57.8 | -154.9 | 52.1 | 0 | 0 | 0 | 113.8 | |||||
| 465 | P | 43.8 | Very low | 36.4 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | -129.3 | 174.9 | -0.2 | 23.2 | 1.6 | 0 | 0 | 0 | 116.9 | ||||
| 466 | D | 30.7 | Very low | 37 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | 34.1 | 111.6 | 154 | -82.7 | -35.4 | 0 | 0 | 0 | 121.9 | ||||
| 467 | T | 42.3 | Very low | 37 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 93% | 0.933 | 78% | 0.783 | S | S | * | * | -151.3 | 145.8 | 122.2 | -25.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 468 | A | 38.4 | Very low | 37.8 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | -85.7 | 142.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 469 | I | 38 | Very low | 38.2 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | 24.4 | 102 | 136.5 | -45.6 | 171.2 | 0 | 0 | 0 | 117.2 | ||||
| 470 | V | 36.6 | Very low | 38.3 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -148.3 | 129.8 | 138.6 | 179.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 471 | H | 39.2 | Very low | 38.3 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -79.3 | 126.2 | 166.1 | -63.3 | -79.2 | 0 | 0 | 0 | 110.1 | V473 | H471-V473 PolarHBondContact O-N 3.26Å; H471-V473 VanDerWaalsContact O-N 3.16Å | ||
| 472 | P | 43.4 | Very low | 38.5 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -69.6 | 112.8 | 175.2 | 27 | -32.5 | 0 | 0 | 0 | 110.9 | ||||
| 473 | V | 36.4 | Very low | 37.8 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -58.6 | 141 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | H471 I475 | H471-V473 PolarHBondContact O-N 3.26Å; H471-V473 VanDerWaalsContact O-N 3.16Å; V473-I475 PolarHBondContact O-N 3.13Å | ||
| 474 | P | 40 | Very low | 37.8 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -58.8 | 111.8 | 175 | -24.6 | 34.7 | 0 | 0 | 0 | 112.3 | R476 | P474-R476 PolarHBondContact O-N 2.82Å; P474-R476 VanDerWaalsContact O-N 3.13Å | ||
| 475 | I | 39.4 | Very low | 37.9 | Very low | 147 Ų | 147 | 145 Ų | 145 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -75.2 | 105.6 | 177.5 | -57 | -178.3 | 0 | 0 | 0 | 109.1 | V473 M477 | V473-I475 PolarHBondContact O-N 3.13Å; I475-M477 HydrophobicContact CG2-CE 4.28Å; I475-M477 HydrophobicContact CG2-CG 4.21Å; I475-M477 PolarHBondContact O-N 3.22Å | ||
| 476 | R | 41.4 | Very low | 37.6 | Very low | 234 Ų | 234 | 148.3 Ų | 148.3 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -70.6 | 105.2 | 174.4 | -169.7 | -175.5 | -168 | -164.4 | 5.8 | 110.2 | P474 | P474-R476 PolarHBondContact O-N 2.82Å; P474-R476 VanDerWaalsContact O-N 3.13Å | ||
| 477 | M | 35.7 | Very low | 37.9 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 77% | 0.768 | 80% | 0.796 | S | S | * | * | trans | -106.5 | 150.2 | 172.2 | -81.2 | -70.1 | 106.6 | 0 | 0 | 112.5 | I475 | I475-M477 HydrophobicContact CG2-CE 4.28Å; I475-M477 HydrophobicContact CG2-CG 4.21Å; I475-M477 PolarHBondContact O-N 3.22Å | ||
| 478 | T | 44.7 | Very low | 37.7 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | -90.7 | 157 | -168.4 | 45 | 0 | 0 | 0 | 0 | 113.3 | S480 | T478-S480 PolarHBondContact O-N 3.19Å; T478-S480 VanDerWaalsContact O-N 3.12Å | ||
| 479 | P | 41.2 | Very low | 37.6 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -74.9 | 101.5 | -178.7 | 29.8 | -35 | 0 | 0 | 0 | 112.3 | K481 | P479-K481 PolarHBondContact O-N 3.31Š| ||
| 480 | S | 31.4 | Very low | 37.4 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -93.1 | 89.1 | 175.9 | -73 | 0 | 0 | 0 | 0 | 112.4 | T478 I482 | T478-S480 PolarHBondContact O-N 3.19Å; T478-S480 VanDerWaalsContact O-N 3.12Å; S480-I482 PolarHBondContact O-N 2.66Å | ||
| 481 | K | 35.5 | Very low | 37.4 | Very low | 191 Ų | 191 | 157 Ų | 157 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -6 | 106.6 | 158.5 | -168.4 | 171.2 | -172.4 | 171.6 | 0 | 116.2 | P479 | P479-K481 PolarHBondContact O-N 3.31Š| ||
| 482 | I | 37.1 | Very low | 37.1 | Very low | 151 Ų | 151 | 155.9 Ų | 155.9 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -75.9 | 126.2 | 170.3 | -55.9 | 170.4 | 0 | 0 | 0 | 109.3 | S480 | S480-I482 PolarHBondContact O-N 2.66Š| ||
| 483 | H | 33.5 | Very low | 36.5 | Very low | 164 Ų | 164 | 153.6 Ų | 153.6 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -142.1 | 93.3 | 165.4 | -132 | 61.3 | 0 | 0 | 0 | 108.2 | ||||
| 484 | M | 32.9 | Very low | 36.2 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -104 | 109.5 | 171.9 | -88.4 | -178.8 | 58.9 | 0 | 0 | 108.5 | ||||
| 485 | Q | 34.9 | Very low | 35.8 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -141 | 128.9 | 166 | -171.9 | 146.5 | -9.4 | 0 | 0 | 110.4 | ||||
| 486 | E | 37.3 | Very low | 35.7 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 70.2 | 135.6 | 162.7 | -151.2 | 158.9 | 167.1 | 0 | 0 | 118.5 | ||||
| 487 | M | 37.4 | Very low | 35.3 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -137 | 129.4 | 155.7 | -164.6 | -177.9 | -65.3 | 0 | 0 | 107 | ||||
| 488 | E | 37.1 | Very low | 35.2 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -71.3 | 162.6 | -158.8 | -56.6 | 161.7 | 64.9 | 0 | 0 | 115.3 | ||||
| 489 | L | 37.6 | Very low | 36 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -121.7 | 93.7 | 144.7 | -82.6 | 89.5 | 0 | 0 | 0 | 112.1 | ||||
| 490 | K | 33 | Very low | 35.4 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | trans | 100 | 101.9 | 145.3 | -49.6 | 139.1 | -171.3 | 154.2 | 0 | 119.3 | ||||
| 491 | R | 35.4 | Very low | 35.2 | Very low | 220 Ų | 220 | 148.2 Ų | 148.2 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | 95.1 | 130.2 | 122.1 | -73.7 | -175.1 | 176.4 | -164.6 | -1 | 120.9 | |||||
| 492 | T | 32.9 | Very low | 36.2 | Very low | 143 Ų | 143 | 144 Ų | 144 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | 72.2 | 117.8 | 153.8 | 56.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 493 | G | 31.5 | Very low | 35.8 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | 149 | 81.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 494 | S | 29.4 | Very low | 35.8 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 33.1 | 115.4 | 150.8 | -79.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 495 | D | 33 | Very low | 35.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | 80.8 | 119.5 | 111.8 | -65.5 | -60.7 | 0 | 0 | 0 | 125.6 | |||||
| 496 | H | 37.5 | Very low | 35.2 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | 80.7 | 111.3 | 128 | -81.2 | 71 | 0 | 0 | 0 | 124.3 | |||||
| 497 | N | 33.4 | Very low | 36.4 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | 71.1 | 104.2 | 130 | -72.5 | -4 | 0 | 0 | 0 | 124.9 | |||||
| 498 | H | 32.5 | Very low | 36.9 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | 68.5 | 166.3 | 108.4 | -96.8 | -54 | 0 | 0 | 0 | 121.1 | |||||
| 499 | P | 61.8 | Low | 36.3 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | -129.7 | -167.7 | -123.2 | 45 | -28 | 0 | 0 | 0 | 115.1 | |||||
| 500 | T | 28.6 | Very low | 36 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | 151.3 | 124.2 | 130 | -59.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 501 | S | 27.5 | Very low | 36 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -6.9 | -177.3 | 136.5 | -43.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 502 | P | 55 | Low | 35.9 | Very low | 103 Ų | 103 | 131 Ų | 131 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | cis | -138.6 | -159.5 | -33 | 27.6 | -2.4 | 0 | 0 | 0 | 113.6 | ||||
| 503 | L | 29.1 | Very low | 35.9 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | 74 | 167.7 | 155.3 | -63.1 | 168.6 | 0 | 0 | 0 | 118.1 | ||||
| 504 | L | 33.3 | Very low | 35.8 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | cis | 177.3 | 109.7 | -40.7 | 172.8 | 78.3 | 0 | 0 | 0 | 107.7 | ||||
| 505 | A | 29.6 | Very low | 35.8 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -166.9 | 166.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 506 | K | 26.2 | Very low | 35.8 | Very low | 194 Ų | 194 | 139.7 Ų | 139.7 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -138.5 | 177.4 | 170.7 | -143.5 | -160.4 | 168.6 | -178.4 | 0 | 109.3 | ||||
| 507 | P | 62.1 | Low | 36.8 | Very low | 102 Ų | 102 | 138 Ų | 138 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | -99.3 | -159.4 | -115.9 | 45.4 | -27.7 | 0 | 0 | 0 | 111.6 | |||||
| 508 | P | 48.8 | Very low | 38.1 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | -155.2 | -172.1 | 64.7 | 40.8 | -16.8 | 0 | 0 | 0 | 117.6 | |||||
| 509 | E | 24.3 | Very low | 38.2 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 84.2 | 168.7 | 151.3 | -62.2 | -114.8 | 90.2 | 0 | 0 | 122.9 | ||||
| 510 | L | 30.6 | Very low | 36.8 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -104.7 | -171 | -152.6 | -57.6 | 157.9 | 0 | 0 | 0 | 112.3 | ||||
| 511 | S | 33.5 | Very low | 37.1 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | cis | -161 | 166.9 | 16.1 | -48 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 512 | E | 32.9 | Very low | 37.2 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | 57.4 | 170.4 | 142.3 | -71.1 | 164.9 | 137.2 | 0 | 0 | 121.9 | ||||
| 513 | E | 33.1 | Very low | 35.8 | Very low | 155 Ų | 155 | 143 Ų | 143 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | cis | -164.8 | 157.7 | -46.1 | -161 | -137.5 | 81.9 | 0 | 0 | 109.4 | ||||
| 514 | T | 30.6 | Very low | 35.8 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | 148.6 | 141.6 | 133.9 | 52.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 515 | K | 27.5 | Very low | 35.5 | Very low | 199 Ų | 199 | 137.5 Ų | 137.5 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | 88 | 156.8 | 144.1 | -96.5 | 176.5 | 177.8 | 173.3 | 0 | 125 | ||||
| 516 | L | 34.6 | Very low | 35.5 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -123.9 | -161.7 | -165.9 | -47.5 | 164.3 | 0 | 0 | 0 | 110 | ||||
| 517 | P | 57.9 | Low | 35.6 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -135.8 | -136.5 | -12.3 | 43.7 | -21.8 | 0 | 0 | 0 | 111.6 | ||||
| 518 | P | 61.3 | Low | 34.1 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | -136.9 | 174.7 | -32.6 | 40.5 | -22.7 | 0 | 0 | 0 | 118.3 | ||||
| 519 | S | 33.8 | Very low | 33.2 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | 82.9 | 122.1 | 135.8 | -82 | 0 | 0 | 0 | 0 | 128.9 | ||||
| 520 | M | 33.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | 66.3 | 160.3 | 125.2 | -61.5 | -164.9 | -166.8 | 0 | 0 | 123.6 | |||||
| 521 | K | 33.4 | Very low | 33.4 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | cis | -173.1 | 146.6 | -24.6 | -103.4 | 175.9 | -179 | 176.2 | 0 | 113.9 | ||||
| 522 | F | 30.3 | Very low | 33.5 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 80% | 0.803 | 79% | 0.791 | S | S | * | * | trans | 68.4 | 148.2 | 140 | -89.1 | -58.5 | 0 | 0 | 0 | 129.1 | ||||
| 523 | V | 26.7 | Very low | 33.4 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | 89.6 | 153.6 | 144.5 | 165.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 524 | A | 28.1 | Very low | 33.3 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -122.5 | 170.7 | -158.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 525 | A | 28.1 | Very low | 33.3 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -168.4 | 173.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 526 | N | 28.6 | Very low | 33.3 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -111.4 | 175.8 | -173.1 | -72.7 | -12 | 0 | 0 | 0 | 114.8 | ||||
| 527 | T | 28.6 | Very low | 33.3 | Very low | 128 Ų | 128 | 127 Ų | 127 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 102.1 | 123.5 | 147.3 | 66 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 528 | V | 29.8 | Very low | 32 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | 60.2 | 133.3 | 133.9 | -179.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 529 | G | 29.8 | Very low | 30.5 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 160.6 | 119.9 | 160 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 530 | D | 29.8 | Very low | 30.4 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -69.3 | 160.4 | -175.7 | -58.9 | -100.3 | 0 | 0 | 0 | 116.6 | ||||
| 531 | G | 30.6 | Very low | 30.5 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | 175.4 | 100 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 532 | Y | 34.9 | Very low | 30.3 | Very low | 231 Ų | 231 | 134.3 Ų | 134.3 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -30.8 | 163 | 153.5 | -66.6 | -90.2 | 0 | 0 | 0 | 116.9 | ||||
| 533 | S | 30.7 | Very low | 30.4 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | cis | -173 | 170.5 | -11 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 534 | S | 31.3 | Very low | 31.1 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 144.3 | 144.9 | 138.9 | -75.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 535 | S | 29.5 | Very low | 31.2 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | -149.2 | 158.5 | 163.5 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 536 | D | 29 | Very low | 31.3 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 66 | 161.5 | 163.1 | -57.8 | -58 | 0 | 0 | 0 | 117.6 | ||||
| 537 | S | 33.9 | Very low | 31.4 | Very low | 91 Ų | 91 | 139 Ų | 139 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -164.1 | 174.2 | -28.7 | -104.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 538 | F | 31.1 | Very low | 31.4 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 64.6 | 148.5 | 165.2 | -94.1 | -85.1 | 0 | 0 | 0 | 120 | ||||
| 539 | T | 30.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | -147.2 | 149.7 | 122.3 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 540 | S | 30 | Very low | 31.5 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -145.1 | 161.2 | 155.1 | -161.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 541 | D | 36.6 | Very low | 31.7 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -20 | 149.3 | -172.5 | -129.1 | -81.1 | 0 | 0 | 0 | 122.1 | ||||
| 542 | Q | 28 | Very low | 31.9 | Very low | 182 Ų | 182 | 150 Ų | 150 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 150.8 | 134.4 | 131.7 | -171.2 | 153.3 | 91.5 | 0 | 0 | 114 | ||||
| 543 | E | 33.8 | Very low | 31.6 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -79.5 | 162.5 | 173.3 | -57 | -172.4 | 79.7 | 0 | 0 | 113 | ||||
| 544 | P | 40.5 | Very low | 31.7 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | -151.1 | 139.3 | 93.3 | 36.5 | -17.7 | 0 | 0 | 0 | 118.4 | |||||
| 545 | I | 31.4 | Very low | 31.6 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 11.3 | 130.5 | 139.6 | -20.9 | 176.2 | 0 | 0 | 0 | 120.3 | ||||
| 546 | T | 29.2 | Very low | 32.4 | Very low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | 148.1 | 120.8 | 118.6 | -59.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 547 | R | 30.2 | Very low | 32.5 | Very low | 227 Ų | 227 | 143.8 Ų | 143.8 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | 22.7 | 133.9 | 152.5 | -53.8 | 171.1 | 162.6 | -128.9 | -1.7 | 122 | ||||
| 548 | Q | 28.9 | Very low | 32.6 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | 148.6 | 113.8 | 96.1 | -173.9 | 166.8 | -22.1 | 0 | 0 | 115.4 | |||||
| 549 | R | 27.6 | Very low | 33.1 | Very low | 239 Ų | 239 | 142.3 Ų | 142.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | -161.6 | 162.5 | 125.3 | -153.3 | 161.2 | -176.7 | 172.9 | 1.4 | 110.2 | |||||
| 550 | S | 34.4 | Very low | 33.5 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | -156.3 | 167.2 | -170.6 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 551 | Q | 34 | Very low | 33.9 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | 72 | 143.4 | 165.3 | -63.4 | 178.4 | 42 | 0 | 0 | 115.9 | ||||
| 552 | S | 33.9 | Very low | 34.3 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | cis | -166.5 | 154.9 | -4.9 | 42.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 553 | G | 29.3 | Very low | 35.7 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 175.5 | 111.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 554 | A | 33.1 | Very low | 36.7 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | 50.6 | 119.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 555 | S | 29.2 | Very low | 37.7 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -117.7 | 153.6 | 136.9 | -178 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 556 | P | 47.1 | Very low | 39.2 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | -144.2 | 167 | 102.8 | 39.8 | -27 | 0 | 0 | 0 | 115.7 | |||||
| 557 | D | 30.3 | Very low | 40.5 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | 76.7 | 166.4 | 153.7 | -122.5 | -47.6 | 0 | 0 | 0 | 120.4 | ||||
| 558 | A | 36.1 | Very low | 42.1 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | trans | -84.4 | 147 | -149.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 559 | L | 41.5 | Very low | 43.1 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | -165.9 | 161.4 | 112 | -99 | 165.9 | 0 | 0 | 0 | 110.9 | A561 | L559-A561 PolarHBondContact O-N 3.02Š| |||
| 560 | K | 38.9 | Very low | 44.2 | Very low | 192 Ų | 192 | 127.1 Ų | 127.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -70.2 | 123.3 | -170.6 | -72.2 | 175.7 | 177.6 | 170.8 | 0 | 113.1 | ||||
| 561 | A | 37.4 | Very low | 44.8 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -71 | 133.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L559 | L559-A561 PolarHBondContact O-N 3.02Š| ||
| 562 | V | 46.1 | Very low | 44.8 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -118.7 | 116.5 | 174 | 175.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 563 | A | 56.7 | Low | 45.2 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 146.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 564 | P | 54.7 | Low | 45.6 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144.9 | 175.7 | 27.4 | -34.5 | 0 | 0 | 0 | 111.3 | ||
| 565 | P | 61.4 | Low | 46.1 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 150.1 | -173.9 | 30.4 | -35.7 | 0 | 0 | 0 | 113 | ||
| 566 | P | 63.8 | Low | 46.5 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 156.5 | 171.5 | 31 | -35.5 | 0 | 0 | 0 | 112.1 | ||
| 567 | P | 56.3 | Low | 46.1 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 154.5 | -180 | 28.2 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 568 | P | 62.6 | Low | 46.2 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 152 | -173.1 | 30.8 | -36.2 | 0 | 0 | 0 | 113.9 | ||
| 569 | P | 50.7 | Low | 46.2 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 144.3 | 177 | 31.3 | -35.3 | 0 | 0 | 0 | 112.6 | ||
| 570 | R | 50.4 | Low | 45.9 | Very low | 230 Ų | 230 | 138.2 Ų | 138.2 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 137.8 | 174 | -171.5 | 176.2 | -69.4 | 178.4 | -2 | 110.5 | ||
| 571 | P | 47.6 | Very low | 46.1 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 150.2 | 178.9 | -23.4 | 34.6 | 0 | 0 | 0 | 114 | ||
| 572 | Q | 33.8 | Very low | 46.3 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 142.8 | 171.4 | -70 | -70.1 | -18.5 | 0 | 0 | 110.5 | ||
| 573 | Q | 41.6 | Very low | 46.1 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -98.3 | 111 | -179.3 | -166.5 | 163.1 | -4.8 | 0 | 0 | 109.9 | ||||
| 574 | S | 39.1 | Very low | 45 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -89.2 | 113.4 | -173.5 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 575 | H | 42.1 | Very low | 44 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 73% | 0.731 | 81% | 0.813 | S | S | * | * | trans | -72.1 | 144.6 | 164 | -69.9 | -93.6 | 0 | 0 | 0 | 110.6 | ||||
| 576 | S | 37.8 | Very low | 42.7 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -152.6 | 145.9 | 170.1 | -75.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 577 | R | 39 | Very low | 41.1 | Very low | 244 Ų | 244 | 154.9 Ų | 154.9 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -84.6 | 154.2 | -153 | -70.3 | 158.3 | 68.2 | 171.3 | 2.6 | 112.8 | ||||
| 578 | S | 33 | Very low | 39.9 | Very low | 124 Ų | 124 | 154 Ų | 154 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -23.2 | 134.6 | 167.5 | -37.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 579 | S | 35.1 | Very low | 38.6 | Very low | 120 Ų | 120 | 152.8 Ų | 152.8 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -125.8 | 120 | 149.2 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 580 | S | 35.5 | Very low | 38.6 | Very low | 101 Ų | 101 | 152.2 Ų | 152.2 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | -41.7 | 150 | 168 | -44.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 581 | L | 43.5 | Very low | 37.7 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -109 | 123.5 | 156.1 | -101.5 | 171.6 | 0 | 0 | 0 | 108.5 | ||||
| 582 | D | 41.9 | Very low | 37.4 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -68.9 | 142.8 | 178.5 | -65.9 | -89.5 | 0 | 0 | 0 | 112.6 | ||||
| 583 | M | 42.4 | Very low | 37.7 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -95.2 | 102.3 | 152.5 | -72.7 | -147.9 | -61.5 | 0 | 0 | 109.2 | ||||
| 584 | N | 33.3 | Very low | 37.3 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 179.5 | 144.4 | 133.9 | -105 | -69.4 | 0 | 0 | 0 | 114.9 | ||||
| 585 | R | 34.2 | Very low | 37.4 | Very low | 222 Ų | 222 | 141.8 Ų | 141.8 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | 107.6 | 139.6 | 142.3 | -156.1 | -177.7 | -80.2 | -90.3 | -3.2 | 119.6 | ||||
| 586 | T | 33 | Very low | 37.3 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 77% | 0.767 | 83% | 0.826 | S | S | * | * | trans | 82 | 92.5 | 157.6 | 15.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 587 | F | 30.2 | Very low | 37.1 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -32.8 | 168.1 | 138.1 | -79.9 | -101.9 | 0 | 0 | 0 | 117.7 | ||||
| 588 | A | 31.6 | Very low | 37.4 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | 82.4 | 135 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 589 | A | 34.7 | Very low | 37.4 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | cis | -160.3 | -167.5 | -0.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 590 | P | 50.2 | Low | 37.2 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | cis | -138.9 | 167 | -4.3 | 42.1 | -24.8 | 0 | 0 | 0 | 117.6 | ||||
| 591 | A | 32.7 | Very low | 37.2 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | 58.9 | 152.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 592 | A | 40.2 | Very low | 36.6 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | cis | -140 | -172.8 | 17.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 593 | P | 40.2 | Very low | 36.4 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -111.9 | 163.4 | -141.7 | 41.7 | -38.8 | 0 | 0 | 0 | 119 | ||||
| 594 | G | 34.7 | Very low | 36.5 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -171.9 | 146.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 595 | Q | 39.8 | Very low | 37.2 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -114.1 | 178 | -178.2 | -67.4 | 176 | -96.7 | 0 | 0 | 111.1 | ||||
| 596 | P | 40.5 | Very low | 37.5 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | cis | -128.3 | -177.9 | -44.8 | 35.8 | -19.1 | 0 | 0 | 0 | 113.1 | ||||
| 597 | Q | 34.1 | Very low | 37.4 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | -84.5 | 162.5 | 170.4 | -73 | -76 | -4.9 | 0 | 0 | 112.7 | ||||
| 598 | P | 44 | Very low | 38 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | -142.4 | 173.7 | 100.1 | 39 | -24.5 | 0 | 0 | 0 | 116.3 | |||||
| 599 | S | 33.3 | Very low | 39.1 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -102.9 | 155.3 | -152.5 | -34.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 600 | A | 32.1 | Very low | 38.9 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -164.8 | 167.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 601 | I | 35.5 | Very low | 38.6 | Very low | 162 Ų | 162 | 131 Ų | 131 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | -159.9 | 150.5 | -53.7 | -141.6 | 169.3 | 0 | 0 | 0 | 112 | |||||
| 602 | A | 31.2 | Very low | 38.6 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | trans | 60.1 | 151.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 603 | F | 37.2 | Very low | 38.7 | Very low | 200 Ų | 200 | 135.2 Ų | 135.2 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -103.5 | 170.9 | 167.6 | -63.7 | -98.9 | 0 | 0 | 0 | 110.5 | ||||
| 604 | P | 43.8 | Very low | 38.3 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | -149.3 | -140.7 | 94.6 | 43 | -20.9 | 0 | 0 | 0 | 114.8 | |||||
| 605 | P | 49.2 | Very low | 38.2 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 84% | 0.844 | 82% | 0.82 | S | S | * | * | -130.5 | -154.1 | -126.2 | 39.2 | -13.7 | 0 | 0 | 0 | 116.8 | |||||
| 606 | A | 38.7 | Very low | 37.7 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -140.4 | -170.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 607 | V | 31.2 | Very low | 37.2 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | 85.7 | 154.5 | 171.2 | -175.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 608 | P | 42.5 | Very low | 37 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | cis | -129 | -170.4 | -17.4 | 34 | -12.5 | 0 | 0 | 0 | 116.5 | ||||
| 609 | P | 55.5 | Low | 37.3 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -123.9 | 162 | 175 | 41.6 | -30.4 | 0 | 0 | 0 | 118.4 | ||||
| 610 | R | 31 | Very low | 37.2 | Very low | 243 Ų | 243 | 137.8 Ų | 137.8 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | 174.8 | 178 | 165.2 | -108.4 | -176.7 | -164.8 | -117.3 | -0.3 | 112.1 | ||||
| 611 | P | 43.7 | Very low | 37.2 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | cis | -136 | -165.8 | -31.8 | 40.9 | -22.2 | 0 | 0 | 0 | 114.3 | ||||
| 612 | L | 31.5 | Very low | 36.8 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -99.6 | 163.8 | 169 | -84 | 79.5 | 0 | 0 | 0 | 113.5 | ||||
| 613 | P | 43.8 | Very low | 36.8 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -102.4 | 165.7 | 176.1 | 39.6 | -34.7 | 0 | 0 | 0 | 115.7 | ||||
| 614 | T | 31.4 | Very low | 36.3 | Very low | 145 Ų | 145 | 139 Ų | 139 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -146.1 | 167.1 | 167 | 45 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 615 | Q | 31.5 | Very low | 35.7 | Very low | 200 Ų | 200 | 138.2 Ų | 138.2 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | trans | -128.1 | 165.2 | 173.9 | -75.6 | -152.3 | 76.1 | 0 | 0 | 112.4 | ||||
| 616 | S | 29.3 | Very low | 34.8 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -142.7 | 171.1 | -167.2 | 58 | 0 | 0 | 0 | 0 | 114 | ||||
| 617 | S | 30.4 | Very low | 34.4 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -146.2 | 153.2 | -177.5 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 618 | V | 29.5 | Very low | 34.3 | Very low | 137 Ų | 137 | 142 Ų | 142 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -169.6 | 165.1 | -171.7 | -98 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 619 | P | 50.5 | Low | 33.7 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | cis | -145.5 | -170.1 | -35.5 | 42.1 | -23.5 | 0 | 0 | 0 | 115.7 | ||||
| 620 | L | 31.3 | Very low | 32.7 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | 73.7 | 138 | 158.2 | -67 | 167 | 0 | 0 | 0 | 118.6 | ||||
| 621 | T | 31.6 | Very low | 33.5 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | cis | -143.3 | -166.8 | 6.9 | 67.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 622 | G | 28.7 | Very low | 33 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | cis | 157.7 | 146.5 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 623 | H | 30.6 | Very low | 32.9 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | 62.1 | 134.7 | 174.5 | -116.4 | 8.4 | 0 | 0 | 0 | 117.4 | ||||
| 624 | R | 26.1 | Very low | 32.1 | Very low | 193 Ų | 193 | 128.2 Ų | 128.2 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | cis | 87.8 | 115.4 | 10.4 | -156.7 | -153.7 | 162.4 | 167.8 | -4.2 | 118.6 | E626 | R624-E626 IonicContact CZ-OE2 3.21Å; R624-E626 IonicContact NE-OE2 2.7Å; R624-E626 PolarHBondContact NE-OE2 2.7Å; R624-E626 IonicContact NH2-OE2 3.02Å; R624-E626 PolarHBondContact NH2-OE2 3.18Å | ||
| 625 | V | 31.4 | Very low | 32.2 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | 162.5 | 109.6 | 121.7 | 164.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 626 | E | 30.1 | Very low | 32.1 | Very low | 139 Ų | 139 | 120.9 Ų | 120.9 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | trans | 33.8 | 150.4 | 135.8 | -61.1 | 157.5 | 85.8 | 0 | 0 | 126.4 | R624 | R624-E626 IonicContact CZ-OE2 3.21Å; R624-E626 IonicContact NE-OE2 2.7Å; R624-E626 PolarHBondContact NE-OE2 2.7Å; R624-E626 IonicContact NH2-OE2 3.02Å; R624-E626 PolarHBondContact NH2-OE2 3.18Å | ||
| 627 | A | 31.1 | Very low | 32.3 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 72.8 | 149.6 | 151 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 628 | E | 28.8 | Very low | 32.2 | Very low | 201 Ų | 201 | 125.3 Ų | 125.3 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | cis | -162.5 | 166.7 | -28.4 | -156 | -143.1 | 151.5 | 0 | 0 | 107.9 | ||||
| 629 | G | 29.8 | Very low | 32.1 | Very low | 69 Ų | 69 | 125.2 Ų | 125.2 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 133.3 | 121.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 630 | V | 34.8 | Very low | 31.1 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -119.6 | 160 | 176.6 | 156.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 631 | P | 47.5 | Very low | 31 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | cis | -132.4 | 172.2 | 12.8 | 32.6 | -11.6 | 0 | 0 | 0 | 117.3 | ||||
| 632 | A | 32.4 | Very low | 32 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | 161.7 | 115.9 | 110 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 633 | G | 29.4 | Very low | 32 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | 76 | 117 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 634 | G | 28 | Very low | 32.1 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 131.2 | 82.3 | 141 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 635 | A | 32.8 | Very low | 32.5 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 94% | 0.942 | 81% | 0.811 | S | S | * | * | trans | 56.5 | 131.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 636 | G | 30 | Very low | 32.6 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 157.5 | 124.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 637 | L | 32.7 | Very low | 32.7 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | trans | -104.9 | 143.3 | -177.1 | -66.6 | 168.8 | 0 | 0 | 0 | 111.5 | ||||
| 638 | T | 28.3 | Very low | 32.8 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 95% | 0.945 | 83% | 0.828 | S | S | * | * | trans | -169.5 | 175.7 | 134.4 | 13 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 639 | T | 27.8 | Very low | 33.5 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -104.3 | 165.9 | -154.4 | -167.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 640 | T | 30 | Very low | 34.5 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -98.5 | 142.3 | -173.7 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 641 | S | 28.1 | Very low | 35.2 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -100.7 | -179.8 | 160 | -143.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 642 | P | 52.8 | Low | 35.7 | Very low | 93 Ų | 93 | 123.5 Ų | 123.5 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | cis | -140.2 | 176.4 | 1.7 | 43.4 | -26.5 | 0 | 0 | 0 | 116.4 | ||||
| 643 | Q | 29.5 | Very low | 37.1 | Very low | 190 Ų | 190 | 120.7 Ų | 120.7 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | trans | -155 | 153.2 | 139.2 | -132.8 | 80.6 | 91 | 0 | 0 | 110.3 | ||||
| 644 | Q | 32.9 | Very low | 38.6 | Very low | 187 Ų | 187 | 116.9 Ų | 116.9 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | trans | -103.3 | 144.4 | -169.6 | -70.1 | 167.6 | -102 | 0 | 0 | 113.5 | ||||
| 645 | I | 33.3 | Very low | 39.8 | Very low | 153 Ų | 153 | 117 Ų | 117 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | trans | -114.5 | 142.9 | 154.7 | -63.3 | 175.5 | 0 | 0 | 0 | 106.5 | Q647 | I645-Q647 PolarHBondContact O-N 2.84Š| ||
| 646 | P | 34.8 | Very low | 40.7 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125.5 | 177.8 | -20.4 | 33.1 | 0 | 0 | 0 | 111.1 | ||
| 647 | Q | 32.1 | Very low | 41.5 | Very low | 194 Ų | 194 | 118.8 Ų | 118.8 | 91% | 0.907 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 130.2 | 170.3 | -66.9 | -156.7 | 61.2 | 0 | 0 | 109.7 | I645 | I645-Q647 PolarHBondContact O-N 2.84Š|
| 648 | Q | 32.3 | Very low | 42.3 | Very low | 164 Ų | 164 | 118 Ų | 118 | 77% | 0.766 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 151.7 | 166.7 | -62.8 | -148 | 57.3 | 0 | 0 | 109.7 | ||
| 649 | P | 44.4 | Very low | 42.9 | Very low | 88 Ų | 88 | 114.3 Ų | 114.3 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.2 | 174.9 | 28.8 | -34.7 | 0 | 0 | 0 | 110.4 | F651 | P649-F651 HydrophobicContact CG-CD2 4.37Å; P649-F651 HydrophobicContact CG-CE1 4.34Å; P649-F651 HydrophobicContact CG-CE2 3.78Å; P649-F651 HydrophobicContact CG-CZ 3.76Å; P649-F651 VanDerWaalsContact O-CD2 3.3Å; P649-F651 WeakPolarHBondContact O-CD2 3.45Å; P649-F651 PolarHBondContact O-N 2.77Å |
| 650 | N | 51.6 | Low | 43.3 | Very low | 111 Ų | 111 | 114.8 Ų | 114.8 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | trans | -70.7 | 92.9 | 174.7 | -177.2 | 6.4 | 0 | 0 | 0 | 110.2 | A652 D653 | N650-A652 PolarHBondContact O-N 3.41Å; N650-A652 PolarHBondContact OD1-N 3.26Å; N650-D653 HydrophobicContact CB-CB 4.31Å; N650-D653 WeakPolarHBondContact O-CB 3.45Å; N650-D653 PolarHBondContact O-N 3.46Å; N650-D653 VanDerWaalsContact O-N 3.14Å; N650-D653 PolarHBondContact OD1-N 2.88Å | ||
| 651 | F | 48.6 | Very low | 43.8 | Very low | 129 Ų | 129 | 112.3 Ų | 112.3 | 57% | 0.566 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -23.9 | 179.6 | -74.3 | -76.3 | 0 | 0 | 0 | 113.3 | P649 | P649-F651 HydrophobicContact CG-CD2 4.37Å; P649-F651 HydrophobicContact CG-CE1 4.34Å; P649-F651 HydrophobicContact CG-CE2 3.78Å; P649-F651 HydrophobicContact CG-CZ 3.76Å; P649-F651 VanDerWaalsContact O-CD2 3.3Å; P649-F651 WeakPolarHBondContact O-CD2 3.45Å; P649-F651 PolarHBondContact O-N 2.77Å |
| 652 | A | 58.5 | Low | 44.3 | Very low | 5 Ų | 5 | 111.1 Ų | 111.1 | 4% | 0.041 | 60% | 0.6 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -99.3 | 28 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W346 N650 F654 | W346-A652 HydrophobicContact CD2-CB 3.93Å; W346-A652 HydrophobicContact CG-CB 3.9Å; N650-A652 PolarHBondContact O-N 3.41Å; N650-A652 PolarHBondContact OD1-N 3.26Å; A652-F654 HydrophobicContact CB-CE2 4.36Å; A652-F654 WeakPolarHBondContact O-CD2 3.23Å; A652-F654 PolarHBondContact O-N 2.9Å |
| 653 | D | 60.8 | Low | 43.5 | Very low | 36 Ų | 36 | 111 Ų | 111 | 19% | 0.193 | 60% | 0.602 | C | S | . | * | trans | -63.7 | 94.6 | 177.1 | 177 | 28.8 | 0 | 0 | 0 | 112.1 | K329 N650 S655 Q656 | K329-D653 PolarHBondContact NZ-O 2.77Å; N650-D653 HydrophobicContact CB-CB 4.31Å; N650-D653 WeakPolarHBondContact O-CB 3.45Å; N650-D653 PolarHBondContact O-N 3.46Å; N650-D653 VanDerWaalsContact O-N 3.14Å; N650-D653 PolarHBondContact OD1-N 2.88Å; D653-S655 VanDerWaalsContact C-N 3.29Å; D653-S655 PolarHBondContact O-N 2.73Å; D653-S655 WeakPolarHBondContact OD1-CB 3.28Å; D653-S655 PolarHBondContact OD1-N 2.81Å; D653-S655 PolarHBondContact OD1-OG 3.39Å; D653-Q656 WeakPolarHBondContact OD2-CG 3.22Å; D653-Q656 PolarHBondContact OD2-NE2 3.4Å | ||
| 654 | F | 61.7 | Low | 43.7 | Very low | 9 Ų | 9 | 110.9 Ų | 110.9 | 4% | 0.039 | 60% | 0.601 | C | S | . | * | trans | -70.9 | -22.5 | 176.8 | -82.5 | -80.4 | 0 | 0 | 0 | 112.8 | K329 I339 L342 W346 A652 Q656 F657 | K329-F654 HydrophobicContact CB-CE1 4.13Å; K329-F654 HydrophobicContact CB-CZ 4.21Å; K329-F654 HydrophobicContact CD-CD1 4.19Å; K329-F654 HydrophobicContact CD-CE1 4.16Å; K329-F654 HydrophobicContact CG-CD1 4.13Å; K329-F654 HydrophobicContact CG-CE1 3.68Å; K329-F654 HydrophobicContact CG-CZ 4.22Å; I339-F654 HydrophobicContact CG2-CB 3.69Å; I339-F654 VanDerWaalsContact CG2-O 3.23Å; I339-F654 WeakPolarHBondContact CG2-O 3.16Å; L342-F654 HydrophobicContact CB-CD1 4Å; L342-F654 HydrophobicContact CB-CE1 3.53Å; L342-F654 HydrophobicContact CB-CZ 3.86Å; L342-F654 HydrophobicContact CD1-CE1 4.24Å; W346-F654 HydrophobicContact CB-CE2 3.99Å; W346-F654 HydrophobicContact CG-CE2 4.45Å; A652-F654 HydrophobicContact CB-CE2 4.36Å; A652-F654 WeakPolarHBondContact O-CD2 3.23Å; A652-F654 PolarHBondContact O-N 2.9Å; F654-Q656 VanDerWaalsContact C-N 3.31Å; F654-Q656 PolarHBondContact O-N 3Å; F654-F657 PolarHBondContact O-N 3.3Å | ||
| 655 | S | 53.6 | Low | 43.7 | Very low | 79 Ų | 79 | 110.4 Ų | 110.4 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -57.2 | -37.3 | -170.2 | -36.5 | 0 | 0 | 0 | 0 | 114.1 | D653 F657 Q658 | D653-S655 VanDerWaalsContact C-N 3.29Å; D653-S655 PolarHBondContact O-N 2.73Å; D653-S655 WeakPolarHBondContact OD1-CB 3.28Å; D653-S655 PolarHBondContact OD1-N 2.81Å; D653-S655 PolarHBondContact OD1-OG 3.39Å; S655-F657 PolarHBondContact O-N 3.31Å; S655-Q658 WeakPolarHBondContact O-CB 3.36Å; S655-Q658 PolarHBondContact O-N 3.11Å |
| 656 | Q | 51.3 | Low | 43.8 | Very low | 130 Ų | 130 | 109.5 Ų | 109.5 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -57.6 | -22.2 | -177.3 | -71.8 | 169.6 | 47.1 | 0 | 0 | 114.2 | D653 F654 Q658 | D653-Q656 WeakPolarHBondContact OD2-CG 3.22Å; D653-Q656 PolarHBondContact OD2-NE2 3.4Å; F654-Q656 VanDerWaalsContact C-N 3.31Å; F654-Q656 PolarHBondContact O-N 3Å; Q656-Q658 VanDerWaalsContact C-N 3.35Å |
| 657 | F | 46.3 | Very low | 43.6 | Very low | 99 Ų | 99 | 109.2 Ų | 109.2 | 43% | 0.434 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -77.9 | -14.5 | 177.8 | -101.9 | -98 | 0 | 0 | 0 | 114.5 | I339 F654 S655 A659 F660 A661 | I339-F657 HydrophobicContact CD1-CB 3.68Å; I339-F657 HydrophobicContact CG1-CB 4.36Å; F654-F657 PolarHBondContact O-N 3.3Å; S655-F657 PolarHBondContact O-N 3.31Å; F657-A659 PolarHBondContact O-N 3.06Å; F657-F660 HydrophobicContact CD1-CB 4.45Å; F657-F660 PolarHBondContact O-N 3.36Å; F657-A661 PolarHBondContact O-N 2.8Å |
| 658 | Q | 48.8 | Very low | 43.6 | Very low | 152 Ų | 152 | 105.7 Ų | 105.7 | 71% | 0.71 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.4 | -25.1 | 177 | -163.6 | 169.6 | 28.7 | 0 | 0 | 112.1 | I339 S655 Q656 | I339-Q658 HydrophobicContact CD1-CB 4.5Å; S655-Q658 WeakPolarHBondContact O-CB 3.36Å; S655-Q658 PolarHBondContact O-N 3.11Å; Q656-Q658 VanDerWaalsContact C-N 3.35Å |
| 659 | A | 42.3 | Very low | 43.6 | Very low | 78 Ų | 78 | 105.6 Ų | 105.6 | 65% | 0.645 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.6 | -30.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F657 | F657-A659 PolarHBondContact O-N 3.06Å |
| 660 | F | 36.2 | Very low | 43.9 | Very low | 145 Ų | 145 | 106.5 Ų | 106.5 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -87.4 | -37.9 | -179.6 | -81.9 | -83.8 | 0 | 0 | 0 | 112.8 | F657 A662 S663 | F657-F660 HydrophobicContact CD1-CB 4.45Å; F657-F660 PolarHBondContact O-N 3.36Å; F660-A662 PolarHBondContact O-N 3.39Å; F660-A662 VanDerWaalsContact O-N 3.11Å; F660-S663 WeakPolarHBondContact O-CB 3.49Å; F660-S663 PolarHBondContact O-N 2.76Å |
| 661 | A | 40 | Very low | 42.7 | Very low | 81 Ų | 81 | 108.8 Ų | 108.8 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.7 | -20 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F657 | F657-A661 PolarHBondContact O-N 2.8Å |
| 662 | A | 37.9 | Very low | 41.8 | Very low | 88 Ų | 88 | 109.3 Ų | 109.3 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -5.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F660 | F660-A662 PolarHBondContact O-N 3.39Å; F660-A662 VanDerWaalsContact O-N 3.11Å |
| 663 | S | 36.7 | Very low | 40.5 | Very low | 91 Ų | 91 | 114.6 Ų | 114.6 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -108.6 | -3.3 | -165.6 | -165.8 | 0 | 0 | 0 | 0 | 115.9 | F660 | F660-S663 WeakPolarHBondContact O-CB 3.49Å; F660-S663 PolarHBondContact O-N 2.76Å |
| 664 | E | 34.7 | Very low | 39.1 | Very low | 187 Ų | 187 | 120.3 Ų | 120.3 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | -104.9 | 84.3 | 177.1 | -69.9 | -156 | 125.5 | 0 | 0 | 112.7 | ||||
| 665 | Q | 31.3 | Very low | 37.4 | Very low | 178 Ų | 178 | 127.7 Ų | 127.7 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | -126.5 | 121.8 | 161.2 | -84.8 | -98.3 | -45.8 | 0 | 0 | 108.4 | S667 | Q665-S667 PolarHBondContact O-N 3.33Š| ||
| 666 | P | 35.9 | Very low | 36.2 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -83.7 | 105.3 | -180 | 31.4 | -32.4 | 0 | 0 | 0 | 111.5 | ||||
| 667 | S | 31.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -105.9 | 136.3 | 172.8 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | Q665 | Q665-S667 PolarHBondContact O-N 3.33Š| ||
| 668 | S | 31.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | -77.5 | 142.6 | -173 | 51.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 669 | L | 31.9 | Very low | 32.8 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -67.3 | 172.8 | 162.6 | -76.6 | 168.8 | 0 | 0 | 0 | 112.9 | ||||
| 670 | P | 49.7 | Very low | 32 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | cis | -130.3 | 179.1 | -22.1 | 35.6 | -19.7 | 0 | 0 | 0 | 113 | ||||
| 671 | D | 26.8 | Very low | 31.5 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | -152.1 | 172.9 | 135.1 | -135.3 | -34.7 | 0 | 0 | 0 | 112.3 | ||||
| 672 | I | 31.3 | Very low | 30.8 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -115.5 | 141.8 | -155.9 | -65.6 | 166.4 | 0 | 0 | 0 | 112.6 | ||||
| 673 | D | 29.2 | Very low | 30.3 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | 171.8 | 157.4 | 109.9 | -148.5 | 3.3 | 0 | 0 | 0 | 116.5 | |||||
| 674 | K | 31.4 | Very low | 29.8 | Very low | 156 Ų | 156 | 138 Ų | 138 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | 63.1 | 99.6 | 150.2 | -87.8 | 173 | -173.7 | 89.8 | 0 | 125.1 | ||||
| 675 | H | 27.4 | Very low | 29.4 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | 78.6 | 130 | 104.4 | -95.6 | -93 | 0 | 0 | 0 | 124.9 | |||||
| 676 | S | 28.6 | Very low | 29.2 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | 69.3 | 157.5 | 138.1 | -69.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 677 | E | 23.1 | Very low | 28.8 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | cis | -172.3 | 145.1 | -28 | -178.6 | 170.3 | 122.7 | 0 | 0 | 108.9 | ||||
| 678 | A | 26.1 | Very low | 28.6 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | 59.6 | 166.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 679 | G | 25.8 | Very low | 28.4 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | cis | 179.3 | 133.6 | -15.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 680 | Q | 24.8 | Very low | 29 | Very low | 199 Ų | 199 | 126.4 Ų | 126.4 | 93% | 0.93 | 75% | 0.752 | S | S | * | * | trans | 65.3 | 150.8 | 133.2 | -132.8 | 175.9 | 45.9 | 0 | 0 | 122.4 | ||||
| 681 | A | 25.5 | Very low | 28.2 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | 88.5 | 105.6 | 143.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 682 | D | 25.3 | Very low | 28.3 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | 86.4 | 104.8 | 118 | -92.7 | -9.5 | 0 | 0 | 0 | 123.6 | |||||
| 683 | K | 27.9 | Very low | 28.2 | Very low | 164 Ų | 164 | 130 Ų | 130 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | 96.3 | 164.1 | 100.1 | -164.8 | -179 | -92.3 | 152.4 | 0 | 119.5 | |||||
| 684 | I | 26.2 | Very low | 28.1 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | 86.5 | 141.3 | 167.5 | -46.9 | 176.8 | 0 | 0 | 0 | 114.8 | ||||
| 685 | S | 26.9 | Very low | 27.8 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 175.5 | 165.6 | -52.1 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 686 | E | 25.3 | Very low | 27.9 | Very low | 193 Ų | 193 | 127.9 Ų | 127.9 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | 78.7 | 157.8 | 162 | -54 | -143.6 | 104.8 | 0 | 0 | 121.2 | ||||
| 687 | G | 28 | Very low | 27.8 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 109 | 62.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 688 | A | 28.7 | Very low | 28.3 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | 100.1 | 54.7 | 58.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 689 | G | 26.4 | Very low | 28.9 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | 62.2 | -156.5 | 148 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 690 | P | 45.1 | Very low | 29 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | cis | -143.7 | 177 | -29.5 | 35.4 | -15.4 | 0 | 0 | 0 | 116.2 | ||||
| 691 | L | 31.8 | Very low | 29.2 | Very low | 158 Ų | 158 | 125.6 Ų | 125.6 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 80.1 | 160.2 | 159.4 | -48.7 | -177.1 | 0 | 0 | 0 | 120.9 | ||||
| 692 | R | 29.5 | Very low | 29.2 | Very low | 221 Ų | 221 | 127.9 Ų | 127.9 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | cis | 179.7 | 128.2 | -38.4 | -170.5 | -176.1 | -156.3 | 179.8 | 6.7 | 111.5 | V694 | R692-V694 HydrophobicContact CG-CG2 4.48Š| ||
| 693 | A | 28.6 | Very low | 29.6 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -174.7 | 167.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 694 | V | 27.1 | Very low | 29.7 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | -172.1 | 152.8 | -78.1 | 143.1 | 0 | 0 | 0 | 0 | 111.4 | R692 | R692-V694 HydrophobicContact CG-CG2 4.48Š| |||
| 695 | K | 25.8 | Very low | 29.7 | Very low | 184 Ų | 184 | 127.2 Ų | 127.2 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 88.3 | 136.2 | 177.9 | -69.5 | 154.4 | 70.1 | 174.4 | 0 | 116 | ||||
| 696 | S | 28.4 | Very low | 29.8 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | cis | 85.5 | 143.3 | 33.9 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 697 | D | 27.4 | Very low | 29.8 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | cis | -165.6 | 170.1 | -12.9 | -105.9 | -58.6 | 0 | 0 | 0 | 108.2 | ||||
| 698 | G | 33.5 | Very low | 29.9 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | trans | -79.1 | 174.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 699 | P | 39.1 | Very low | 29.9 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | cis | -153.8 | -161.9 | 40.7 | 43.5 | -20.4 | 0 | 0 | 0 | 116.6 | ||||
| 700 | A | 28.4 | Very low | 30.2 | Very low | 84 Ų | 84 | 128.3 Ų | 128.3 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | trans | 53.6 | 134.2 | 142.5 | 0 | 0 | 0 | 0 | 0 | 126 | ||||
| 701 | D | 28.2 | Very low | 29.7 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | 71.1 | 136.6 | 137.5 | -79.4 | -58.5 | 0 | 0 | 0 | 128.3 | ||||
| 702 | E | 26 | Very low | 29.7 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | trans | 45.9 | 128.5 | 151.6 | -73 | -136.1 | -41.2 | 0 | 0 | 128.6 | ||||
| 703 | R | 34.1 | Very low | 29.7 | Very low | 195 Ų | 195 | 122.7 Ų | 122.7 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | 65.3 | 133.4 | 138 | -65 | -176.3 | -167.8 | 164.9 | 25.4 | 121 | ||||
| 704 | T | 29.2 | Very low | 29.8 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | -166.1 | 154.3 | 63 | 29.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 705 | S | 26.3 | Very low | 30.2 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | 66.3 | 135.4 | 153.6 | -64.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 706 | A | 29 | Very low | 30.4 | Very low | 83 Ų | 83 | 118 Ų | 118 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | cis | -159.7 | 152.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 707 | T | 25.4 | Very low | 31.7 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | 55.3 | 118.2 | 139.3 | -60.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 708 | V | 29.6 | Very low | 32 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | cis | -176 | 176.6 | 9.8 | 75.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 709 | N | 29.7 | Very low | 32 | Very low | 135 Ų | 135 | 122 Ų | 122 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | cis | -161 | -179.2 | 0.8 | -152.2 | -0.9 | 0 | 0 | 0 | 112.3 | ||||
| 710 | S | 32.4 | Very low | 32.6 | Very low | 95 Ų | 95 | 121.4 Ų | 121.4 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | trans | 24.4 | 146.1 | 145.7 | -65.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 711 | A | 33.6 | Very low | 32.8 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | cis | -172.7 | 143 | -13.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 712 | K | 32.3 | Very low | 33.2 | Very low | 217 Ų | 217 | 121.5 Ų | 121.5 | 94% | 0.943 | 76% | 0.762 | S | S | * | * | trans | 45.1 | 133.2 | 132.5 | -152.3 | 170.3 | -171.5 | 173.7 | 0 | 120.9 | ||||
| 713 | G | 30.5 | Very low | 33.7 | Very low | 70 Ų | 70 | 124.8 Ų | 124.8 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | 154 | -179.6 | -5.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 714 | S | 30.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 83.8 | 140.8 | 163.3 | -164.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 715 | S | 33.8 | Very low | 34.5 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 64.6 | 123 | 152 | 42.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 716 | G | 31.6 | Very low | 35.1 | Very low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -113.7 | -141.5 | 145.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 717 | P | 55.2 | Low | 35.5 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | cis | -128.3 | 159.4 | -28.3 | 39.4 | -26.3 | 0 | 0 | 0 | 112.3 | ||||
| 718 | L | 32.5 | Very low | 35.9 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 97% | 0.974 | 79% | 0.794 | S | S | * | * | trans | -161.7 | 159.6 | 168 | -112.1 | 145.9 | 0 | 0 | 0 | 113.3 | ||||
| 719 | A | 33.6 | Very low | 35.9 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | -124.1 | -175.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 720 | P | 51.9 | Low | 35.8 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -85.5 | 172 | -147.3 | 37.5 | -41.6 | 0 | 0 | 0 | 116.2 | ||||
| 721 | P | 33.5 | Very low | 36.2 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | -138.7 | -143.6 | 112.2 | 38.1 | -19.9 | 0 | 0 | 0 | 114.1 | |||||
| 722 | P | 36.2 | Very low | 35.9 | Very low | 122 Ų | 122 | 146 Ų | 146 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | -124.6 | -169.8 | -114.3 | 38.5 | -17.4 | 0 | 0 | 0 | 117 | |||||
| 723 | K | 36.3 | Very low | 35.6 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -104.4 | -165 | -177.4 | -51.6 | -176.7 | 178.6 | 177.9 | 0 | 113.1 | ||||
| 724 | P | 50.1 | Low | 35.8 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | -132 | 174.8 | -103.8 | 40.8 | -21.2 | 0 | 0 | 0 | 116.9 | |||||
| 725 | V | 30.4 | Very low | 35.8 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 93% | 0.933 | 80% | 0.798 | S | S | * | * | trans | -137.9 | 173.6 | 172.4 | -172 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 726 | R | 39.3 | Very low | 35.6 | Very low | 226 Ų | 226 | 153.4 Ų | 153.4 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -144.8 | 147.8 | -147 | 170 | -166.1 | -172.9 | -172.3 | 6.7 | 114.8 | ||||
| 727 | R | 36.5 | Very low | 36.3 | Very low | 228 Ų | 228 | 154.1 Ų | 154.1 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -169.1 | 137.9 | 153.5 | -97.1 | 156.9 | 84.1 | 103.2 | 2.4 | 109.2 | ||||
| 728 | R | 33.3 | Very low | 35 | Very low | 207 Ų | 207 | 156.3 Ų | 156.3 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | 72.7 | 137.5 | 62.4 | -67.4 | -157.3 | 99.1 | 177 | 7.2 | 113.7 | |||||
| 729 | L | 29.9 | Very low | 34.9 | Very low | 124 Ų | 124 | 153.4 Ų | 153.4 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | -177.8 | 164.6 | -3.6 | 175.1 | 70.9 | 0 | 0 | 0 | 110.2 | ||||
| 730 | K | 28.8 | Very low | 34.9 | Very low | 183 Ų | 183 | 156 Ų | 156 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 103 | 178.5 | 149.6 | -107.5 | 167.2 | -174.2 | -164.5 | 0 | 121.2 | ||||
| 731 | S | 39.5 | Very low | 33.9 | Very low | 98 Ų | 98 | 157.2 Ų | 157.2 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -164.9 | 144.9 | -141.9 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 732 | E | 27 | Very low | 33.9 | Very low | 193 Ų | 193 | 158 Ų | 158 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -178.7 | 164.7 | 169.4 | -109.6 | 151.8 | 49.5 | 0 | 0 | 107.8 | ||||
| 733 | D | 27 | Very low | 33.5 | Very low | 144 Ų | 144 | 155.3 Ų | 155.3 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | cis | -151.7 | -175.1 | -10 | -161.8 | 12.3 | 0 | 0 | 0 | 110.4 | ||||
| 734 | E | 34.3 | Very low | 34.3 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -82.7 | -176.4 | 177.4 | -168.3 | 158.5 | 88.3 | 0 | 0 | 114.4 | ||||
| 735 | L | 31.5 | Very low | 33.5 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | 112.2 | 123.7 | 160.6 | -57.9 | 175.1 | 0 | 0 | 0 | 119 | ||||
| 736 | R | 29.4 | Very low | 33.7 | Very low | 202 Ų | 202 | 156.1 Ų | 156.1 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -82.5 | -178.2 | 158.9 | -96 | -173.7 | 67.3 | 141.6 | 7.9 | 109.3 | D739 | R736-D739 IonicContact NH2-OD1 3.13Å; R736-D739 PolarHBondContact NH2-OD1 3.29Å; R736-D739 VanDerWaalsContact NH2-OD1 3.13Å | ||
| 737 | P | 47.2 | Very low | 33.6 | Very low | 86 Ų | 86 | 150.1 Ų | 150.1 | 56% | 0.558 | 75% | 0.75 | S | S | * | * | cis | -143.4 | -162.6 | 19.7 | 42.7 | -21.1 | 0 | 0 | 0 | 116.1 | ||||
| 738 | E | 27.3 | Very low | 33.3 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | 81 | 141 | 153.6 | -74.1 | 161.3 | -159.7 | 0 | 0 | 118.9 | ||||
| 739 | D | 30.9 | Very low | 33.5 | Very low | 125 Ų | 125 | 138 Ų | 138 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | 179.1 | 174.7 | -61.4 | -93 | 108.3 | 0 | 0 | 0 | 104.5 | R736 | R736-D739 IonicContact NH2-OD1 3.13Å; R736-D739 PolarHBondContact NH2-OD1 3.29Å; R736-D739 VanDerWaalsContact NH2-OD1 3.13Å | |||
| 740 | E | 31.8 | Very low | 33.9 | Very low | 138 Ų | 138 | 140 Ų | 140 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | cis | -146.7 | -137.2 | 9.9 | -159.9 | -113.2 | 97.4 | 0 | 0 | 108.7 | ||||
| 741 | Q | 32.7 | Very low | 34.2 | Very low | 138 Ų | 138 | 136 Ų | 136 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | trans | 78.7 | 84.8 | 165.6 | -101 | 68.1 | 86.2 | 0 | 0 | 120.5 | ||||
| 742 | I | 31.8 | Very low | 33.8 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | 49.8 | 122.8 | 113.6 | -61.4 | 169.9 | 0 | 0 | 0 | 119.6 | |||||
| 743 | G | 28.5 | Very low | 34.7 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | -89.4 | -133.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 744 | P | 53.5 | Low | 34.9 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -124.7 | 174.3 | -34.8 | 41.3 | -28.8 | 0 | 0 | 0 | 112.1 | ||||
| 745 | Q | 33.8 | Very low | 35.2 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -171.6 | 138.1 | 155.5 | -102.3 | 144.2 | 100.9 | 0 | 0 | 109.5 | ||||
| 746 | K | 34.2 | Very low | 35.3 | Very low | 197 Ų | 197 | 129 Ų | 129 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | 54 | 144.5 | 79.2 | -70.3 | -172.3 | 174.9 | -179.2 | 0 | 114.8 | |||||
| 747 | A | 36.3 | Very low | 35.5 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | cis | -174.1 | 163.7 | -19.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 748 | G | 31.6 | Very low | 35.1 | Very low | 83 Ų | 83 | 129 Ų | 129 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | 126.2 | 149.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 749 | A | 35.9 | Very low | 35.5 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | -140.7 | 159.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 750 | I | 38.8 | Very low | 36.3 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | -173.8 | 151.8 | 127.4 | 41.6 | 178.2 | 0 | 0 | 0 | 111.8 | |||||
| 751 | A | 34.3 | Very low | 37.1 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 14.2 | 149.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 752 | A | 32.3 | Very low | 38 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | cis | -167.8 | -152.1 | -10.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 753 | P | 45.1 | Very low | 38.9 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | -118.5 | 140.9 | -93.1 | 36.2 | -22 | 0 | 0 | 0 | 115 | |||||
| 754 | L | 31.3 | Very low | 40 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -142.7 | 153.9 | 163.7 | -77 | -179.5 | 0 | 0 | 0 | 112.7 | ||||
| 755 | T | 40.4 | Very low | 40.1 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -55.6 | 137.2 | -167.3 | 176 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 756 | S | 34.7 | Very low | 41.6 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -173.7 | 116.9 | 146.6 | 17.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 757 | Q | 32.3 | Very low | 43.3 | Very low | 176 Ų | 176 | 121.7 Ų | 121.7 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | 61.2 | 131.3 | 91.9 | -73.2 | -69.5 | -18.1 | 0 | 0 | 115.3 | |||||
| 758 | P | 39.1 | Very low | 45.5 | Very low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 160.6 | -160.1 | 36.1 | -35.9 | 0 | 0 | 0 | 114.8 | ||
| 759 | S | 36 | Very low | 48.1 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 138.3 | 179.6 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 760 | I | 48.9 | Very low | 50.4 | Low | 156 Ų | 156 | 126 Ų | 126 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 136.5 | -179.7 | -60.5 | 170.2 | 0 | 0 | 0 | 111.2 | ||
| 761 | P | 47.2 | Very low | 52.9 | Low | 100 Ų | 100 | 122.9 Ų | 122.9 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 148.6 | 178.6 | -23 | 34.5 | 0 | 0 | 0 | 115.1 | S763 | P761-S763 VanDerWaalsContact C-N 3.3Å; P761-S763 PolarHBondContact O-N 2.84Å; P761-S763 VanDerWaalsContact O-N 3.14Å |
| 762 | R | 52.4 | Low | 55.7 | Low | 252 Ų | 252 | 124.6 Ų | 124.6 | 95% | 0.951 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -85.8 | 44.3 | -179.5 | -63.2 | 179.9 | 177.9 | 160.2 | -0.9 | 114 | ||
| 763 | S | 50.9 | Low | 58.6 | Low | 60 Ų | 60 | 123.1 Ų | 123.1 | 42% | 0.42 | 68% | 0.677 | S | S | . | * | trans | -75.6 | -49.9 | -179.5 | 43.9 | 0 | 0 | 0 | 0 | 113.6 | P761 G765 K766 | P761-S763 VanDerWaalsContact C-N 3.3Å; P761-S763 PolarHBondContact O-N 2.84Å; P761-S763 VanDerWaalsContact O-N 3.14Å; S763-G765 PolarHBondContact O-N 2.88Å; S763-K766 PolarHBondContact O-N 3.43Å | ||
| 764 | I | 50.3 | Low | 60.8 | Low | 118 Ų | 118 | 120.4 Ų | 120.4 | 61% | 0.605 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -37.5 | -35.4 | -171.7 | -85.4 | 62.6 | 0 | 0 | 0 | 115.7 | K766 K768 | I764-K766 VanDerWaalsContact C-N 3.32Å; I764-K766 PolarHBondContact O-N 2.77Å; I764-K768 WeakPolarHBondContact O-CB 3.32Å; I764-K768 PolarHBondContact O-N 3.37Å |
| 765 | G | 57.3 | Low | 63.8 | Low | 51 Ų | 51 | 117.4 Ų | 117.4 | 53% | 0.526 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.7 | -22 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S763 | S763-G765 PolarHBondContact O-N 2.88Å |
| 766 | K | 63.5 | Low | 66.4 | Low | 167 Ų | 167 | 119.1 Ų | 119.1 | 73% | 0.726 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84 | -48.4 | 176.2 | -66.8 | -177.8 | -179.4 | 179.5 | 0 | 110.7 | S763 I764 K768 K769 A770 | S763-K766 PolarHBondContact O-N 3.43Å; I764-K766 VanDerWaalsContact C-N 3.32Å; I764-K766 PolarHBondContact O-N 2.77Å; K766-K768 VanDerWaalsContact C-N 3.31Å; K766-K768 PolarHBondContact O-N 2.95Å; K766-K769 WeakPolarHBondContact O-CB 3.42Å; K766-K769 PolarHBondContact O-N 3.09Å; K766-A770 PolarHBondContact O-N 2.65Å |
| 767 | D | 71.6 | Confident | 69.3 | Low | 82 Ų | 82 | 122.3 Ų | 122.3 | 44% | 0.439 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.8 | -39 | -175.1 | -43.2 | -50.4 | 0 | 0 | 0 | 110.9 | K769 A770 I771 | D767-K769 PolarHBondContact O-N 2.7Å; D767-A770 PolarHBondContact O-N 2.89Å; D767-A770 VanDerWaalsContact O-N 3.09Å; D767-I771 WeakPolarHBondContact O-CB 3.46Å; D767-I771 VanDerWaalsContact O-CG1 3.3Å; D767-I771 WeakPolarHBondContact O-CG1 3.18Å; D767-I771 PolarHBondContact O-N 2.9Å |
| 768 | K | 81.9 | Confident | 72.2 | Confident | 149 Ų | 149 | 118.5 Ų | 118.5 | 65% | 0.648 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -54.9 | -35.9 | 172.4 | -174.3 | 169.3 | -177.2 | 171 | 0 | 113.4 | I764 K766 Q772 | I764-K768 WeakPolarHBondContact O-CB 3.32Å; I764-K768 PolarHBondContact O-N 3.37Å; K766-K768 VanDerWaalsContact C-N 3.31Å; K766-K768 PolarHBondContact O-N 2.95Å; K768-Q772 WeakPolarHBondContact O-CB 3.35Å; K768-Q772 PolarHBondContact O-N 3.04Å; K768-Q772 VanDerWaalsContact O-N 3.09Å |
| 769 | K | 85.3 | Confident | 74.9 | Confident | 156 Ų | 156 | 120.4 Ų | 120.4 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.2 | -40.1 | 176.1 | -68.4 | -175 | 177.6 | -176.2 | 0 | 111.9 | K766 D767 Q772 A773 | K766-K769 WeakPolarHBondContact O-CB 3.42Å; K766-K769 PolarHBondContact O-N 3.09Å; D767-K769 PolarHBondContact O-N 2.7Å; K769-Q772 PolarHBondContact O-N 3.2Å; K769-A773 WeakPolarHBondContact O-CB 3.48Å; K769-A773 PolarHBondContact O-N 2.81Å |
| 770 | A | 85.7 | Confident | 77.7 | Confident | 65 Ų | 65 | 119.2 Ų | 119.2 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.9 | -45.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K766 D767 A773 S774 | K766-A770 PolarHBondContact O-N 2.65Å; D767-A770 PolarHBondContact O-N 2.89Å; D767-A770 VanDerWaalsContact O-N 3.09Å; A770-A773 PolarHBondContact O-N 3.05Å; A770-S774 WeakPolarHBondContact O-CB 3.43Å; A770-S774 PolarHBondContact O-N 3.41Å |
| 771 | I | 89.9 | Confident | 79.9 | Confident | 102 Ų | 102 | 115.1 Ų | 115.1 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.6 | -46.9 | 175 | -66.9 | 163.9 | 0 | 0 | 0 | 110.6 | D767 A773 S774 I775 | D767-I771 WeakPolarHBondContact O-CB 3.46Å; D767-I771 VanDerWaalsContact O-CG1 3.3Å; D767-I771 WeakPolarHBondContact O-CG1 3.18Å; D767-I771 PolarHBondContact O-N 2.9Å; I771-A773 VanDerWaalsContact C-N 3.34Å; I771-A773 PolarHBondContact O-N 3.31Å; I771-S774 WeakPolarHBondContact O-CB 3.17Å; I771-S774 PolarHBondContact O-N 2.97Å; I771-S774 VanDerWaalsContact O-N 3.17Å; I771-I775 HydrophobicContact CG2-CD1 3.79Å; I771-I775 HydrophobicContact CG2-CG1 4.42Å; I771-I775 WeakPolarHBondContact O-CG1 3.49Å; I771-I775 PolarHBondContact O-N 3.22Å |
| 772 | Q | 93.5 | Very high | 82.2 | Confident | 133 Ų | 133 | 115.5 Ų | 115.5 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.8 | -36.9 | 178.4 | -169.1 | 175.1 | 18.6 | 0 | 0 | 112.8 | K768 K769 R776 | K768-Q772 WeakPolarHBondContact O-CB 3.35Å; K768-Q772 PolarHBondContact O-N 3.04Å; K768-Q772 VanDerWaalsContact O-N 3.09Å; K769-Q772 PolarHBondContact O-N 3.2Å; Q772-R776 WeakPolarHBondContact O-CB 3.39Å; Q772-R776 PolarHBondContact O-N 3.16Å |
| 773 | A | 92.9 | Very high | 84.4 | Confident | 60 Ų | 60 | 106.4 Ų | 106.4 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K769 A770 I771 R776 R777 | K769-A773 WeakPolarHBondContact O-CB 3.48Å; K769-A773 PolarHBondContact O-N 2.81Å; A770-A773 PolarHBondContact O-N 3.05Å; I771-A773 VanDerWaalsContact C-N 3.34Å; I771-A773 PolarHBondContact O-N 3.31Å; A773-R776 PolarHBondContact O-N 3.46Å; A773-R777 PolarHBondContact O-N 2.97Å |
| 774 | S | 91.4 | Very high | 86.5 | Confident | 59 Ų | 59 | 107.1 Ų | 107.1 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 174.8 | -167.2 | 0 | 0 | 0 | 0 | 111.8 | A770 I771 R776 R777 N778 | A770-S774 WeakPolarHBondContact O-CB 3.43Å; A770-S774 PolarHBondContact O-N 3.41Å; I771-S774 WeakPolarHBondContact O-CB 3.17Å; I771-S774 PolarHBondContact O-N 2.97Å; I771-S774 VanDerWaalsContact O-N 3.17Å; S774-R776 VanDerWaalsContact C-N 3.27Å; S774-R776 PolarHBondContact O-N 3.4Å; S774-R777 PolarHBondContact O-N 2.89Å; S774-N778 WeakPolarHBondContact O-CB 3.47Å; S774-N778 PolarHBondContact O-N 3.36Å |
| 775 | I | 94.3 | Very high | 88.7 | Confident | 110 Ų | 110 | 106.7 Ų | 106.7 | 56% | 0.564 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.2 | -41.9 | 173.6 | -68.6 | 166.3 | 0 | 0 | 0 | 110.8 | I771 N778 K779 | I771-I775 HydrophobicContact CG2-CD1 3.79Å; I771-I775 HydrophobicContact CG2-CG1 4.42Å; I771-I775 WeakPolarHBondContact O-CG1 3.49Å; I771-I775 PolarHBondContact O-N 3.22Å; I775-N778 PolarHBondContact O-N 3.04Å; I775-K779 WeakPolarHBondContact O-CB 3.33Å; I775-K779 PolarHBondContact O-N 2.86Å |
| 776 | R | 96.3 | Very high | 90.6 | Very high | 165 Ų | 165 | 106.8 Ų | 106.8 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.9 | -50.6 | 175.3 | 179 | 177.3 | 171.8 | 169.6 | 0.3 | 111.8 | Q772 A773 S774 N778 K779 E780 | Q772-R776 WeakPolarHBondContact O-CB 3.39Å; Q772-R776 PolarHBondContact O-N 3.16Å; A773-R776 PolarHBondContact O-N 3.46Å; S774-R776 VanDerWaalsContact C-N 3.27Å; S774-R776 PolarHBondContact O-N 3.4Å; R776-N778 VanDerWaalsContact C-N 3.33Å; R776-N778 PolarHBondContact O-N 3.05Å; R776-K779 PolarHBondContact O-N 2.97Å; R776-E780 IonicContact CZ-OE1 3.35Å; R776-E780 IonicContact NE-OE1 2.75Å; R776-E780 PolarHBondContact NE-OE1 3.21Å; R776-E780 IonicContact NH2-OE1 3.03Å; R776-E780 PolarHBondContact NH2-OE1 2.85Å; R776-E780 WeakPolarHBondContact O-CG 3.39Å; R776-E780 PolarHBondContact O-N 2.92Å |
| 777 | R | 94.4 | Very high | 92.2 | Very high | 174 Ų | 174 | 107.3 Ų | 107.3 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.3 | -44.3 | 177.1 | 173.1 | 175.5 | -81.3 | 144.5 | -7.3 | 111.4 | A773 S774 K779 E780 T781 | A773-R777 PolarHBondContact O-N 2.97Å; S774-R777 PolarHBondContact O-N 2.89Å; R777-K779 VanDerWaalsContact C-N 3.32Å; R777-K779 PolarHBondContact O-N 3.25Å; R777-E780 PolarHBondContact O-N 3.08Å; R777-E780 VanDerWaalsContact O-N 3.15Å; R777-T781 HydrophobicContact CG-CG2 4.5Å; R777-T781 PolarHBondContact O-N 3.38Å; R777-T781 PolarHBondContact O-OG1 3.45Å |
| 778 | N | 93.3 | Very high | 93.5 | Very high | 95 Ų | 95 | 108.4 Ų | 108.4 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67 | -32.1 | 179.3 | -72.3 | -7.1 | 0 | 0 | 0 | 112.5 | S774 I775 R776 T781 N782 | S774-N778 WeakPolarHBondContact O-CB 3.47Å; S774-N778 PolarHBondContact O-N 3.36Å; I775-N778 PolarHBondContact O-N 3.04Å; R776-N778 VanDerWaalsContact C-N 3.33Å; R776-N778 PolarHBondContact O-N 3.05Å; N778-T781 WeakPolarHBondContact CA-OG1 3.44Å; N778-T781 PolarHBondContact O-OG1 3.16Å; N778-T781 VanDerWaalsContact O-OG1 3.1Å; N778-N782 WeakPolarHBondContact O-CB 3.47Å; N778-N782 PolarHBondContact O-N 3.39Å |
| 779 | K | 96.2 | Very high | 94.1 | Very high | 154 Ų | 154 | 105.6 Ų | 105.6 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.9 | -39.1 | 170.4 | -174.6 | 171.3 | -178.2 | 172.3 | 0 | 112 | I775 R776 R777 T783 | I775-K779 WeakPolarHBondContact O-CB 3.33Å; I775-K779 PolarHBondContact O-N 2.86Å; R776-K779 PolarHBondContact O-N 2.97Å; R777-K779 VanDerWaalsContact C-N 3.32Å; R777-K779 PolarHBondContact O-N 3.25Å; K779-T783 WeakPolarHBondContact O-CB 3.32Å; K779-T783 PolarHBondContact O-N 2.94Å; K779-T783 PolarHBondContact O-OG1 2.89Å |
| 780 | E | 95.2 | Very high | 94.7 | Very high | 95 Ų | 95 | 101.7 Ų | 101.7 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 176.4 | -71.6 | 167.6 | 176.9 | 0 | 0 | 111.2 | R776 R777 T783 V784 | R776-E780 IonicContact CZ-OE1 3.35Å; R776-E780 IonicContact NE-OE1 2.75Å; R776-E780 PolarHBondContact NE-OE1 3.21Å; R776-E780 IonicContact NH2-OE1 3.03Å; R776-E780 PolarHBondContact NH2-OE1 2.85Å; R776-E780 WeakPolarHBondContact O-CG 3.39Å; R776-E780 PolarHBondContact O-N 2.92Å; R777-E780 PolarHBondContact O-N 3.08Å; R777-E780 VanDerWaalsContact O-N 3.15Å; E780-T783 WeakPolarHBondContact O-CB 3.3Å; E780-T783 PolarHBondContact O-N 2.89Å; E780-V784 WeakPolarHBondContact O-CG2 3.34Å; E780-V784 PolarHBondContact O-N 3.48Å; E780-V784 VanDerWaalsContact O-N 3.15Å |
| 781 | T | 94.6 | Very high | 95.3 | Very high | 71 Ų | 71 | 103.7 Ų | 103.7 | 44% | 0.436 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 174.5 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | R777 N778 T783 V784 L785 | R777-T781 HydrophobicContact CG-CG2 4.5Å; R777-T781 PolarHBondContact O-N 3.38Å; R777-T781 PolarHBondContact O-OG1 3.45Å; N778-T781 WeakPolarHBondContact CA-OG1 3.44Å; N778-T781 PolarHBondContact O-OG1 3.16Å; N778-T781 VanDerWaalsContact O-OG1 3.1Å; T781-T783 VanDerWaalsContact C-N 3.27Å; T781-T783 PolarHBondContact O-N 3.13Å; T781-V784 WeakPolarHBondContact O-CB 3.33Å; T781-V784 PolarHBondContact O-N 2.9Å; T781-L785 WeakPolarHBondContact O-CG 3.37Å; T781-L785 PolarHBondContact O-N 3.32Å |
| 782 | N | 95.1 | Very high | 95.6 | Very high | 107 Ų | 107 | 104.1 Ų | 104.1 | 57% | 0.572 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -36.3 | 175.5 | -169.5 | -79.8 | 0 | 0 | 0 | 111.6 | N778 V784 L785 A786 | N778-N782 WeakPolarHBondContact O-CB 3.47Å; N778-N782 PolarHBondContact O-N 3.39Å; N782-V784 VanDerWaalsContact C-N 3.33Å; N782-V784 PolarHBondContact O-N 3.41Å; N782-L785 PolarHBondContact O-N 2.82Å; N782-A786 WeakPolarHBondContact O-CB 3.37Å; N782-A786 PolarHBondContact O-N 2.74Å |
| 783 | T | 97.8 | Very high | 95.8 | Very high | 61 Ų | 61 | 103.1 Ų | 103.1 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 172.2 | -56 | 0 | 0 | 0 | 0 | 112.4 | K779 E780 T781 R787 | K779-T783 WeakPolarHBondContact O-CB 3.32Å; K779-T783 PolarHBondContact O-N 2.94Å; K779-T783 PolarHBondContact O-OG1 2.89Å; E780-T783 WeakPolarHBondContact O-CB 3.3Å; E780-T783 PolarHBondContact O-N 2.89Å; T781-T783 VanDerWaalsContact C-N 3.27Å; T781-T783 PolarHBondContact O-N 3.13Å; T783-R787 WeakPolarHBondContact O-CG 3.25Å; T783-R787 PolarHBondContact O-N 3.34Å |
| 784 | V | 97.1 | Very high | 96.1 | Very high | 75 Ų | 75 | 104.4 Ų | 104.4 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 174.3 | 173 | 0 | 0 | 0 | 0 | 111 | E780 T781 N782 A786 R787 L788 | E780-V784 WeakPolarHBondContact O-CG2 3.34Å; E780-V784 PolarHBondContact O-N 3.48Å; E780-V784 VanDerWaalsContact O-N 3.15Å; T781-V784 WeakPolarHBondContact O-CB 3.33Å; T781-V784 PolarHBondContact O-N 2.9Å; N782-V784 VanDerWaalsContact C-N 3.33Å; N782-V784 PolarHBondContact O-N 3.41Å; V784-A786 VanDerWaalsContact C-N 3.32Å; V784-A786 PolarHBondContact O-N 2.94Å; V784-R787 PolarHBondContact O-N 3.42Å; V784-R787 VanDerWaalsContact O-N 3.17Å; V784-L788 HydrophobicContact CG1-CD1 3.92Å; V784-L788 HydrophobicContact CG1-CG 4.33Å; V784-L788 WeakPolarHBondContact O-CG 3.45Å; V784-L788 PolarHBondContact O-N 3.46Å |
| 785 | L | 96 | Very high | 96.4 | Very high | 110 Ų | 110 | 106.5 Ų | 106.5 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.6 | -41.2 | 176.1 | -70.2 | 171.5 | 0 | 0 | 0 | 112.1 | T781 N782 R787 L788 N789 | T781-L785 WeakPolarHBondContact O-CG 3.37Å; T781-L785 PolarHBondContact O-N 3.32Å; N782-L785 PolarHBondContact O-N 2.82Å; L785-R787 VanDerWaalsContact C-N 3.35Å; L785-R787 PolarHBondContact O-N 3.17Å; L785-L788 PolarHBondContact O-N 2.94Å; L785-N789 WeakPolarHBondContact O-CB 3.44Å; L785-N789 PolarHBondContact O-N 3.34Å |
| 786 | A | 96.3 | Very high | 96.5 | Very high | 53 Ų | 53 | 106 Ų | 106 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N782 V784 N789 S790 | N782-A786 WeakPolarHBondContact O-CB 3.37Å; N782-A786 PolarHBondContact O-N 2.74Å; V784-A786 VanDerWaalsContact C-N 3.32Å; V784-A786 PolarHBondContact O-N 2.94Å; A786-N789 PolarHBondContact O-N 3.46Å; A786-S790 PolarHBondContact O-N 2.86Å; A786-S790 PolarHBondContact O-OG 3.26Å |
| 787 | R | 97.6 | Very high | 96.6 | Very high | 177 Ų | 177 | 102.9 Ų | 102.9 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.8 | -44.4 | 175.4 | -69.6 | 175.3 | -172.5 | 171 | 2.6 | 112.4 | T783 V784 L785 N789 S790 E791 | T783-R787 WeakPolarHBondContact O-CG 3.25Å; T783-R787 PolarHBondContact O-N 3.34Å; V784-R787 PolarHBondContact O-N 3.42Å; V784-R787 VanDerWaalsContact O-N 3.17Å; L785-R787 VanDerWaalsContact C-N 3.35Å; L785-R787 PolarHBondContact O-N 3.17Å; R787-N789 VanDerWaalsContact C-N 3.28Å; R787-N789 PolarHBondContact O-N 2.93Å; R787-S790 PolarHBondContact O-N 3.45Å; R787-E791 WeakPolarHBondContact O-CB 3.49Å; R787-E791 PolarHBondContact O-N 2.89Å |
| 788 | L | 97.8 | Very high | 96.7 | Very high | 105 Ų | 105 | 98.1 Ų | 98.1 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -34.1 | 178 | -69.7 | 172.3 | 0 | 0 | 0 | 112 | V784 L785 L792 | V784-L788 HydrophobicContact CG1-CD1 3.92Å; V784-L788 HydrophobicContact CG1-CG 4.33Å; V784-L788 WeakPolarHBondContact O-CG 3.45Å; V784-L788 PolarHBondContact O-N 3.46Å; L785-L788 PolarHBondContact O-N 2.94Å; L788-L792 VanDerWaalsContact O-CB 3.32Å; L788-L792 WeakPolarHBondContact O-CB 3.47Å; L788-L792 PolarHBondContact O-N 3.5Å |
| 789 | N | 95.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 98.8 Ų | 98.8 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 173.7 | -163.4 | -17.2 | 0 | 0 | 0 | 111.1 | L785 A786 R787 E791 L792 Q793 | L785-N789 WeakPolarHBondContact O-CB 3.44Å; L785-N789 PolarHBondContact O-N 3.34Å; A786-N789 PolarHBondContact O-N 3.46Å; R787-N789 VanDerWaalsContact C-N 3.28Å; R787-N789 PolarHBondContact O-N 2.93Å; N789-E791 VanDerWaalsContact C-N 3.35Å; N789-E791 PolarHBondContact O-N 2.89Å; N789-L792 PolarHBondContact O-N 2.77Å; N789-Q793 WeakPolarHBondContact O-CB 3.22Å; N789-Q793 VanDerWaalsContact O-CG 3.24Å; N789-Q793 WeakPolarHBondContact O-CG 3.43Å; N789-Q793 PolarHBondContact O-N 3.2Å; N789-Q793 PolarHBondContact OD1-NE2 2.84Å |
| 790 | S | 97.8 | Very high | 97 | Very high | 75 Ų | 75 | 95.7 Ų | 95.7 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 172.7 | -60.7 | 0 | 0 | 0 | 0 | 113.2 | A786 R787 Q793 Q794 | A786-S790 PolarHBondContact O-N 2.86Å; A786-S790 PolarHBondContact O-OG 3.26Å; R787-S790 PolarHBondContact O-N 3.45Å; S790-Q793 PolarHBondContact O-N 3.18Å; S790-Q794 WeakPolarHBondContact O-CB 3.42Å; S790-Q794 PolarHBondContact O-N 3.21Å |
| 791 | E | 97.1 | Very high | 97 | Very high | 106 Ų | 106 | 96.3 Ų | 96.3 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 175.4 | -176.3 | 66.1 | -147.8 | 0 | 0 | 111.4 | R787 N789 Q793 Q794 Q795 | R787-E791 WeakPolarHBondContact O-CB 3.49Å; R787-E791 PolarHBondContact O-N 2.89Å; N789-E791 VanDerWaalsContact C-N 3.35Å; N789-E791 PolarHBondContact O-N 2.89Å; E791-Q793 PolarHBondContact O-N 3.33Å; E791-Q794 WeakPolarHBondContact O-CB 3.34Å; E791-Q794 PolarHBondContact O-N 3.1Å; E791-Q795 WeakPolarHBondContact O-CG 3.42Å; E791-Q795 PolarHBondContact O-N 3.02Å; E791-Q795 PolarHBondContact OE1-NE2 3.44Å |
| 792 | L | 97.6 | Very high | 97.1 | Very high | 111 Ų | 111 | 98.2 Ų | 98.2 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.2 | -37.6 | 177.2 | -170.9 | 149 | 0 | 0 | 0 | 112.1 | L788 N789 Q794 Q795 L796 | L788-L792 VanDerWaalsContact O-CB 3.32Å; L788-L792 WeakPolarHBondContact O-CB 3.47Å; L788-L792 PolarHBondContact O-N 3.5Å; N789-L792 PolarHBondContact O-N 2.77Å; L792-Q794 VanDerWaalsContact C-N 3.35Å; L792-Q795 PolarHBondContact O-N 2.75Å; L792-L796 WeakPolarHBondContact O-CB 3.37Å; L792-L796 PolarHBondContact O-N 3.06Å |
| 793 | Q | 97.4 | Very high | 97.2 | Very high | 113 Ų | 113 | 99.1 Ų | 99.1 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 172.4 | -72.7 | 173 | 20.9 | 0 | 0 | 112.1 | N789 S790 E791 K797 | N789-Q793 WeakPolarHBondContact O-CB 3.22Å; N789-Q793 VanDerWaalsContact O-CG 3.24Å; N789-Q793 WeakPolarHBondContact O-CG 3.43Å; N789-Q793 PolarHBondContact O-N 3.2Å; N789-Q793 PolarHBondContact OD1-NE2 2.84Å; S790-Q793 PolarHBondContact O-N 3.18Å; E791-Q793 PolarHBondContact O-N 3.33Å; Q793-K797 WeakPolarHBondContact O-CB 3.24Å; Q793-K797 PolarHBondContact O-N 2.95Å |
| 794 | Q | 98.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 100.5 Ų | 100.5 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 174.6 | -176.1 | 59.1 | 52.3 | 0 | 0 | 111 | S790 E791 L792 L796 K797 D798 | S790-Q794 WeakPolarHBondContact O-CB 3.42Å; S790-Q794 PolarHBondContact O-N 3.21Å; E791-Q794 WeakPolarHBondContact O-CB 3.34Å; E791-Q794 PolarHBondContact O-N 3.1Å; L792-Q794 VanDerWaalsContact C-N 3.35Å; Q794-L796 VanDerWaalsContact C-N 3.32Å; Q794-L796 PolarHBondContact O-N 3.2Å; Q794-K797 WeakPolarHBondContact O-CA 3.38Å; Q794-K797 WeakPolarHBondContact O-CB 3.4Å; Q794-K797 PolarHBondContact O-N 3.42Å; Q794-K797 VanDerWaalsContact O-N 3.08Å; Q794-D798 PolarHBondContact NE2-OD1 3.15Å; Q794-D798 PolarHBondContact NE2-OD2 3.38Å; Q794-D798 PolarHBondContact O-N 3.47Å |
| 795 | Q | 97.9 | Very high | 97 | Very high | 103 Ų | 103 | 99.7 Ų | 99.7 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 175.8 | -69.8 | 173.6 | 13.9 | 0 | 0 | 112.4 | E791 L792 D798 L799 | E791-Q795 WeakPolarHBondContact O-CG 3.42Å; E791-Q795 PolarHBondContact O-N 3.02Å; E791-Q795 PolarHBondContact OE1-NE2 3.44Å; L792-Q795 PolarHBondContact O-N 2.75Å; Q795-D798 PolarHBondContact O-N 3.15Å; Q795-L799 WeakPolarHBondContact O-CB 3.36Å; Q795-L799 WeakPolarHBondContact O-CG 3.47Å; Q795-L799 PolarHBondContact O-N 3.33Å |
| 796 | L | 97.3 | Very high | 96.9 | Very high | 99 Ų | 99 | 98.7 Ų | 98.7 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 172.5 | 178.5 | 61.7 | 0 | 0 | 0 | 112 | L792 Q794 L800 | L792-L796 WeakPolarHBondContact O-CB 3.37Å; L792-L796 PolarHBondContact O-N 3.06Å; Q794-L796 VanDerWaalsContact C-N 3.32Å; Q794-L796 PolarHBondContact O-N 3.2Å; L796-L800 HydrophobicContact CD1-CD1 4.3Å; L796-L800 HydrophobicContact CD1-CG 4.49Å; L796-L800 HydrophobicContact CG-CD1 4.2Å; L796-L800 WeakPolarHBondContact O-CB 3.47Å; L796-L800 VanDerWaalsContact O-CG 3.25Å; L796-L800 WeakPolarHBondContact O-CG 3.45Å; L796-L800 PolarHBondContact O-N 2.95Å |
| 797 | K | 97.5 | Very high | 96.7 | Very high | 101 Ų | 101 | 100.3 Ų | 100.3 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 174.6 | -176.3 | -169 | 167.3 | -69.3 | 0 | 111.2 | Q793 Q794 L800 E801 | Q793-K797 WeakPolarHBondContact O-CB 3.24Å; Q793-K797 PolarHBondContact O-N 2.95Å; Q794-K797 WeakPolarHBondContact O-CA 3.38Å; Q794-K797 WeakPolarHBondContact O-CB 3.4Å; Q794-K797 PolarHBondContact O-N 3.42Å; Q794-K797 VanDerWaalsContact O-N 3.08Å; K797-L800 PolarHBondContact O-N 3.05Å; K797-E801 IonicContact NZ-OE2 2.75Å; K797-E801 PolarHBondContact NZ-OE2 3.24Å; K797-E801 PolarHBondContact O-N 2.98Å |
| 798 | D | 97.1 | Very high | 96.5 | Very high | 73 Ų | 73 | 95.6 Ų | 95.6 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.1 | -40 | -176.1 | -64 | -25.5 | 0 | 0 | 0 | 111.3 | Q794 Q795 L800 E801 E802 | Q794-D798 PolarHBondContact NE2-OD1 3.15Å; Q794-D798 PolarHBondContact NE2-OD2 3.38Å; Q794-D798 PolarHBondContact O-N 3.47Å; Q795-D798 PolarHBondContact O-N 3.15Å; D798-L800 VanDerWaalsContact C-N 3.34Å; D798-L800 PolarHBondContact O-N 3.31Å; D798-E801 PolarHBondContact O-N 2.9Å; D798-E802 WeakPolarHBondContact O-CB 3.48Å; D798-E802 PolarHBondContact O-N 2.85Å |
| 799 | L | 97.6 | Very high | 96.1 | Very high | 109 Ų | 109 | 95.7 Ų | 95.7 | 57% | 0.571 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65 | -34.2 | 171.4 | -73.3 | 170.7 | 0 | 0 | 0 | 112.9 | Q795 R803 | Q795-L799 WeakPolarHBondContact O-CB 3.36Å; Q795-L799 WeakPolarHBondContact O-CG 3.47Å; Q795-L799 PolarHBondContact O-N 3.33Å; L799-R803 WeakPolarHBondContact O-CB 3.49Å; L799-R803 PolarHBondContact O-N 3.45Å |
| 800 | L | 97.4 | Very high | 95.7 | Very high | 90 Ų | 90 | 96.9 Ų | 96.9 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 172.9 | -75.5 | 167.9 | 0 | 0 | 0 | 111.7 | L796 K797 D798 R803 I804 | L796-L800 HydrophobicContact CD1-CD1 4.3Å; L796-L800 HydrophobicContact CD1-CG 4.49Å; L796-L800 HydrophobicContact CG-CD1 4.2Å; L796-L800 WeakPolarHBondContact O-CB 3.47Å; L796-L800 VanDerWaalsContact O-CG 3.25Å; L796-L800 WeakPolarHBondContact O-CG 3.45Å; L796-L800 PolarHBondContact O-N 2.95Å; K797-L800 PolarHBondContact O-N 3.05Å; D798-L800 VanDerWaalsContact C-N 3.34Å; D798-L800 PolarHBondContact O-N 3.31Å; L800-R803 PolarHBondContact O-N 3.37Å; L800-I804 WeakPolarHBondContact O-CB 3.5Å; L800-I804 WeakPolarHBondContact O-CD1 3.3Å; L800-I804 WeakPolarHBondContact O-CG1 3.48Å; L800-I804 PolarHBondContact O-N 2.96Å |
| 801 | E | 96.3 | Very high | 95.2 | Very high | 107 Ų | 107 | 98.7 Ų | 98.7 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 176.3 | -163.5 | 166.1 | 152.3 | 0 | 0 | 111.7 | K797 D798 S805 | K797-E801 IonicContact NZ-OE2 2.75Å; K797-E801 PolarHBondContact NZ-OE2 3.24Å; K797-E801 PolarHBondContact O-N 2.98Å; D798-E801 PolarHBondContact O-N 2.9Å; E801-S805 WeakPolarHBondContact O-CB 3.47Å; E801-S805 PolarHBondContact O-N 3.2Å; E801-S805 PolarHBondContact O-OG 3.36Å |
| 802 | E | 96.4 | Very high | 94.3 | Very high | 111 Ų | 111 | 100.7 Ų | 100.7 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 169.2 | -176.8 | 179.1 | -173.3 | 0 | 0 | 111.1 | D798 I804 S805 L806 | D798-E802 WeakPolarHBondContact O-CB 3.48Å; D798-E802 PolarHBondContact O-N 2.85Å; E802-I804 VanDerWaalsContact C-N 3.33Å; E802-I804 PolarHBondContact O-N 2.79Å; E802-S805 CarbonylContact O-C 3.58Å; E802-S805 WeakPolarHBondContact O-CA 3.44Å; E802-S805 WeakPolarHBondContact O-CB 3.41Å; E802-S805 PolarHBondContact O-N 3.03Å; E802-L806 HydrophobicContact CG-CD1 3.97Å; E802-L806 HydrophobicContact CG-CG 4.34Å; E802-L806 WeakPolarHBondContact O-CG 3.4Å; E802-L806 PolarHBondContact O-N 2.85Å |
| 803 | R | 96.8 | Very high | 93.4 | Very high | 126 Ų | 126 | 102.1 Ų | 102.1 | 48% | 0.475 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 178.5 | 176.2 | -90.6 | -174 | -160.3 | -6.2 | 112.2 | L799 L800 E807 | L799-R803 WeakPolarHBondContact O-CB 3.49Å; L799-R803 PolarHBondContact O-N 3.45Å; L800-R803 PolarHBondContact O-N 3.37Å; R803-E807 IonicContact CZ-OE1 2.77Å; R803-E807 IonicContact CZ-OE2 3.19Å; R803-E807 IonicContact NE-OE1 3.65Å; R803-E807 PolarHBondContact NE-OE1 3.21Å; R803-E807 IonicContact NE-OE2 3.85Å; R803-E807 IonicContact NH1-OE1 2.66Å; R803-E807 IonicContact NH1-OE2 3.31Å; R803-E807 PolarHBondContact NH1-OE2 3.12Å; R803-E807 IonicContact NH2-OE1 3.83Å; R803-E807 PolarHBondContact NH2-OE1 3.38Å; R803-E807 IonicContact NH2-OE2 2.68Å; R803-E807 PolarHBondContact NH2-OE2 3.14Å; R803-E807 VanDerWaalsContact NH2-OE2 3.09Å; R803-E807 WeakPolarHBondContact O-CB 3.16Å; R803-E807 WeakPolarHBondContact O-CG 3.49Å; R803-E807 PolarHBondContact O-N 3.41Å |
| 804 | I | 96.4 | Very high | 92.6 | Very high | 90 Ų | 90 | 103.1 Ų | 103.1 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 174.4 | -70.3 | 164.2 | 0 | 0 | 0 | 110.7 | L800 E802 E807 V808 | L800-I804 WeakPolarHBondContact O-CB 3.5Å; L800-I804 WeakPolarHBondContact O-CD1 3.3Å; L800-I804 WeakPolarHBondContact O-CG1 3.48Å; L800-I804 PolarHBondContact O-N 2.96Å; E802-I804 VanDerWaalsContact C-N 3.33Å; E802-I804 PolarHBondContact O-N 2.79Å; I804-E807 PolarHBondContact O-N 3.09Å; I804-V808 HydrophobicContact CG2-CG2 4.48Å; I804-V808 WeakPolarHBondContact O-CB 3.44Å; I804-V808 WeakPolarHBondContact O-CG2 3.44Å; I804-V808 PolarHBondContact O-N 3.2Å |
| 805 | S | 95.3 | Very high | 91.2 | Very high | 58 Ų | 58 | 103.8 Ų | 103.8 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | E801 E802 V808 Q809 | E801-S805 WeakPolarHBondContact O-CB 3.47Å; E801-S805 PolarHBondContact O-N 3.2Å; E801-S805 PolarHBondContact O-OG 3.36Å; E802-S805 CarbonylContact O-C 3.58Å; E802-S805 WeakPolarHBondContact O-CA 3.44Å; E802-S805 WeakPolarHBondContact O-CB 3.41Å; E802-S805 PolarHBondContact O-N 3.03Å; S805-V808 PolarHBondContact O-N 2.99Å; S805-Q809 WeakPolarHBondContact O-CG 3.44Å; S805-Q809 PolarHBondContact O-N 3.31Å |
| 806 | L | 93.4 | Very high | 89.3 | Confident | 90 Ų | 90 | 107.8 Ų | 107.8 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 175 | -70.1 | 172.8 | 0 | 0 | 0 | 111.9 | E802 Q809 L810 | E802-L806 HydrophobicContact CG-CD1 3.97Å; E802-L806 HydrophobicContact CG-CG 4.34Å; E802-L806 WeakPolarHBondContact O-CG 3.4Å; E802-L806 PolarHBondContact O-N 2.85Å; L806-Q809 PolarHBondContact O-N 2.89Å; L806-L810 WeakPolarHBondContact O-CB 3.42Å; L806-L810 PolarHBondContact O-N 3.41Å |
| 807 | E | 91.6 | Very high | 87.2 | Confident | 87 Ų | 87 | 108.6 Ų | 108.6 | 41% | 0.407 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 172.9 | -79.3 | -174.2 | 170.8 | 0 | 0 | 112.1 | R803 I804 Q809 L810 E811 | R803-E807 IonicContact CZ-OE1 2.77Å; R803-E807 IonicContact CZ-OE2 3.19Å; R803-E807 IonicContact NE-OE1 3.65Å; R803-E807 PolarHBondContact NE-OE1 3.21Å; R803-E807 IonicContact NE-OE2 3.85Å; R803-E807 IonicContact NH1-OE1 2.66Å; R803-E807 IonicContact NH1-OE2 3.31Å; R803-E807 PolarHBondContact NH1-OE2 3.12Å; R803-E807 IonicContact NH2-OE1 3.83Å; R803-E807 PolarHBondContact NH2-OE1 3.38Å; R803-E807 IonicContact NH2-OE2 2.68Å; R803-E807 PolarHBondContact NH2-OE2 3.14Å; R803-E807 VanDerWaalsContact NH2-OE2 3.09Å; R803-E807 WeakPolarHBondContact O-CB 3.16Å; R803-E807 WeakPolarHBondContact O-CG 3.49Å; R803-E807 PolarHBondContact O-N 3.41Å; I804-E807 PolarHBondContact O-N 3.09Å; E807-Q809 VanDerWaalsContact C-N 3.29Å; E807-Q809 PolarHBondContact O-N 2.94Å; E807-L810 CarbonylContact O-C 3.59Å; E807-L810 PolarHBondContact O-N 2.94Å; E807-E811 VanDerWaalsContact O-CB 3.3Å; E807-E811 WeakPolarHBondContact O-CB 3.34Å; E807-E811 PolarHBondContact O-N 2.96Å |
| 808 | V | 94.4 | Very high | 84.9 | Confident | 77 Ų | 77 | 111.5 Ų | 111.5 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.6 | -31.6 | 174.8 | 166.4 | 0 | 0 | 0 | 0 | 112.1 | I804 S805 Q812 | I804-V808 HydrophobicContact CG2-CG2 4.48Å; I804-V808 WeakPolarHBondContact O-CB 3.44Å; I804-V808 WeakPolarHBondContact O-CG2 3.44Å; I804-V808 PolarHBondContact O-N 3.2Å; S805-V808 PolarHBondContact O-N 2.99Å; V808-Q812 WeakPolarHBondContact O-CG 3.46Å; V808-Q812 PolarHBondContact O-N 3.4Å; V808-Q812 PolarHBondContact O-NE2 3.09Å |
| 809 | Q | 89.5 | Confident | 82.2 | Confident | 108 Ų | 108 | 119.5 Ų | 119.5 | 51% | 0.505 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.2 | -41.6 | 170.2 | -72.6 | 174.2 | 10.6 | 0 | 0 | 111.7 | S805 L806 E807 E811 Q812 L813 | S805-Q809 WeakPolarHBondContact O-CG 3.44Å; S805-Q809 PolarHBondContact O-N 3.31Å; L806-Q809 PolarHBondContact O-N 2.89Å; E807-Q809 VanDerWaalsContact C-N 3.29Å; E807-Q809 PolarHBondContact O-N 2.94Å; Q809-E811 VanDerWaalsContact C-N 3.34Å; Q809-Q812 PolarHBondContact O-N 2.86Å; Q809-L813 WeakPolarHBondContact O-CB 3.43Å; Q809-L813 VanDerWaalsContact O-CG 3.32Å; Q809-L813 WeakPolarHBondContact O-CG 3.4Å; Q809-L813 PolarHBondContact O-N 3.17Å |
| 810 | L | 87.1 | Confident | 81.4 | Confident | 114 Ų | 114 | 120.1 Ų | 120.1 | 60% | 0.597 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.1 | -34.4 | 177.2 | -170.9 | 65 | 0 | 0 | 0 | 112.2 | L806 E807 L813 R814 | L806-L810 WeakPolarHBondContact O-CB 3.42Å; L806-L810 PolarHBondContact O-N 3.41Å; E807-L810 CarbonylContact O-C 3.59Å; E807-L810 PolarHBondContact O-N 2.94Å; L810-L813 PolarHBondContact O-N 3.39Å; L810-R814 WeakPolarHBondContact O-CB 3.39Å; L810-R814 PolarHBondContact O-N 3.03Å |
| 811 | E | 86.4 | Confident | 80.6 | Confident | 114 Ų | 114 | 121.6 Ų | 121.6 | 53% | 0.533 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.2 | -40.3 | 172.6 | -162.5 | 73.2 | -154.1 | 0 | 0 | 111.1 | E807 Q809 R814 | E807-E811 VanDerWaalsContact O-CB 3.3Å; E807-E811 WeakPolarHBondContact O-CB 3.34Å; E807-E811 PolarHBondContact O-N 2.96Å; Q809-E811 VanDerWaalsContact C-N 3.34Å; E811-R814 IonicContact OE1-CZ 3.63Å; E811-R814 IonicContact OE1-NH1 3.79Å; E811-R814 PolarHBondContact OE1-NH1 2.75Å; E811-R814 IonicContact OE1-NH2 3.62Å; E811-R814 IonicContact OE2-CZ 3.64Å; E811-R814 IonicContact OE2-NH1 2.67Å; E811-R814 PolarHBondContact OE2-NH1 3.03Å; E811-R814 IonicContact OE2-NH2 3.28Å; E811-R814 PolarHBondContact OE2-NH2 2.7Å |
| 812 | Q | 79.6 | Confident | 79.7 | Confident | 148 Ų | 148 | 122.4 Ų | 122.4 | 69% | 0.692 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.9 | -30.3 | 174.4 | -77 | 171.4 | 68.6 | 0 | 0 | 113.6 | V808 Q809 | V808-Q812 WeakPolarHBondContact O-CG 3.46Å; V808-Q812 PolarHBondContact O-N 3.4Å; V808-Q812 PolarHBondContact O-NE2 3.09Å; Q809-Q812 PolarHBondContact O-N 2.86Å |
| 813 | L | 78.4 | Confident | 78.7 | Confident | 140 Ų | 140 | 123.1 Ų | 123.1 | 73% | 0.733 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -86.5 | -13.2 | 176.8 | -70.5 | 172.4 | 0 | 0 | 0 | 113 | Q809 L810 P815 | Q809-L813 WeakPolarHBondContact O-CB 3.43Å; Q809-L813 VanDerWaalsContact O-CG 3.32Å; Q809-L813 WeakPolarHBondContact O-CG 3.4Å; Q809-L813 PolarHBondContact O-N 3.17Å; L810-L813 PolarHBondContact O-N 3.39Å; L813-P815 WeakPolarHBondContact O-CD 3.32Å |
| 814 | R | 79.4 | Confident | 77.6 | Confident | 135 Ų | 135 | 122.9 Ų | 122.9 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -65.2 | 119.2 | 171.4 | -165.5 | -176.6 | -58.4 | 132.4 | 12.3 | 107.7 | L810 E811 F816 | L810-R814 WeakPolarHBondContact O-CB 3.39Å; L810-R814 PolarHBondContact O-N 3.03Å; E811-R814 IonicContact OE1-CZ 3.63Å; E811-R814 IonicContact OE1-NH1 3.79Å; E811-R814 PolarHBondContact OE1-NH1 2.75Å; E811-R814 IonicContact OE1-NH2 3.62Å; E811-R814 IonicContact OE2-CZ 3.64Å; E811-R814 IonicContact OE2-NH1 2.67Å; E811-R814 PolarHBondContact OE2-NH1 3.03Å; E811-R814 IonicContact OE2-NH2 3.28Å; E811-R814 PolarHBondContact OE2-NH2 2.7Å; R814-F816 PolarHBondContact O-N 3.35Å |
| 815 | P | 69.6 | Low | 76.3 | Confident | 99 Ų | 99 | 125.1 Ų | 125.1 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | trans | -61.3 | 141.7 | 178.8 | 26.1 | -33.9 | 0 | 0 | 0 | 109.5 | L813 S817 | L813-P815 WeakPolarHBondContact O-CD 3.32Å; P815-S817 VanDerWaalsContact C-N 3.29Å; P815-S817 PolarHBondContact O-N 3.4Å | ||
| 816 | F | 58.3 | Low | 75 | Confident | 187 Ų | 187 | 129.9 Ų | 129.9 | 82% | 0.82 | 66% | 0.657 | S | S | * | * | trans | -65.2 | 92.4 | 169.2 | -78.2 | -88 | 0 | 0 | 0 | 109 | R814 H818 | R814-F816 PolarHBondContact O-N 3.35Å; F816-H818 AromaticContact CD1-CD2 3.98Å; F816-H818 PolarHBondContact O-N 3.13Å | ||
| 817 | S | 52.9 | Low | 73.5 | Confident | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | trans | -69.9 | 60.9 | 165.1 | -64.6 | 0 | 0 | 0 | 0 | 110.3 | P815 L819 | P815-S817 VanDerWaalsContact C-N 3.29Å; P815-S817 PolarHBondContact O-N 3.4Å; S817-L819 PolarHBondContact O-N 3.41Å | ||
| 818 | H | 49.8 | Very low | 72 | Confident | 163 Ų | 163 | 136.8 Ų | 136.8 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -86.6 | 90.6 | 166.7 | -97.8 | -56.4 | 0 | 0 | 0 | 109.2 | F816 | F816-H818 AromaticContact CD1-CD2 3.98Å; F816-H818 PolarHBondContact O-N 3.13Å | ||
| 819 | L | 39 | Very low | 70 | Confident | 241 Ų | 241 | 142.3 Ų | 142.3 | 100% | 1.262 | 71% | 0.714 | S | S | * | * | trans | -154 | 0 | 149 | -108.6 | 163.2 | 0 | 0 | 0 | 108.1 | S817 | S817-L819 PolarHBondContact O-N 3.41Š|
Retrieved 819 of 819 residues in 1631.9 ms
(Link to these results)