| 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 | 47.3 | Very low | 59.9 | Low | 235 Ų | 235 | 93.5 Ų | 93.5 | 100% | 1.158 | 49% | 0.493 | S | S | * | . | 0 | 127.4 | 0 | -76.1 | 179.9 | 95.4 | 0 | 0 | 107 | |||||
| 2 | A | 56.3 | Low | 59.8 | Low | 24 Ų | 24 | 95.2 Ų | 95.2 | 20% | 0.198 | 50% | 0.502 | C | S | . | . | trans | -61.7 | 140.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | E6 K7 | A2-E6 WeakPolarHBondContact CA-OE2 3.39Å; A2-E6 HydrophobicContact CB-CB 4.29Å; A2-E6 WeakPolarHBondContact CB-OE2 3.22Å; A2-K7 HydrophobicContact CB-CG 4.43Å; A2-K7 WeakPolarHBondContact O-CE 3.35Å | ||
| 3 | S | 71.6 | Confident | 59.8 | Low | 50 Ų | 50 | 93.3 Ų | 93.3 | 35% | 0.35 | 49% | 0.489 | S | S | . | . | trans | -67.2 | 158.4 | -179.9 | 78.4 | 0 | 0 | 0 | 0 | 111 | T5 E6 K7 | S3-T5 PolarHBondContact O-N 3.1Å; S3-T5 PolarHBondContact OG-N 3.27Å; S3-T5 PolarHBondContact OG-OG1 3.06Å; S3-E6 PolarHBondContact N-OE2 3Å; S3-E6 VanDerWaalsContact N-OE2 3.11Å; S3-E6 PolarHBondContact O-N 3.31Å; S3-E6 VanDerWaalsContact O-N 3.15Å; S3-E6 PolarHBondContact OG-N 3.02Å; S3-E6 VanDerWaalsContact OG-N 3.13Å; S3-K7 WeakPolarHBondContact O-CG 3.49Å; S3-K7 PolarHBondContact O-N 3.26Å | ||
| 4 | E | 64.4 | Low | 60 | Low | 160 Ų | 160 | 87.5 Ų | 87.5 | 75% | 0.748 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.6 | -29.1 | 174.8 | -69.5 | -155.5 | 147 | 0 | 0 | 113 | K7 T8 | E4-K7 PolarHBondContact O-N 3.17Å; E4-T8 WeakPolarHBondContact O-CB 3.47Å; E4-T8 PolarHBondContact O-N 3.38Å; E4-T8 PolarHBondContact O-OG1 3.32Å |
| 5 | T | 60.4 | Low | 60.7 | Low | 110 Ų | 110 | 86.7 Ų | 86.7 | 68% | 0.675 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.1 | -41.6 | 175.6 | 50.5 | 0 | 0 | 0 | 0 | 112.2 | S3 K7 T8 H9 | S3-T5 PolarHBondContact O-N 3.1Å; S3-T5 PolarHBondContact OG-N 3.27Å; S3-T5 PolarHBondContact OG-OG1 3.06Å; T5-K7 VanDerWaalsContact C-N 3.34Å; T5-K7 PolarHBondContact O-N 3.16Å; T5-T8 PolarHBondContact O-N 2.89Å; T5-H9 WeakPolarHBondContact O-CB 3.48Å; T5-H9 PolarHBondContact O-N 3.38Å |
| 6 | E | 58.8 | Low | 62.2 | Low | 87 Ų | 87 | 83.8 Ų | 83.8 | 41% | 0.407 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 173.3 | -76.2 | -179.5 | 140.8 | 0 | 0 | 112 | A2 S3 H9 A10 I213 | A2-E6 WeakPolarHBondContact CA-OE2 3.39Å; A2-E6 HydrophobicContact CB-CB 4.29Å; A2-E6 WeakPolarHBondContact CB-OE2 3.22Å; S3-E6 PolarHBondContact N-OE2 3Å; S3-E6 VanDerWaalsContact N-OE2 3.11Å; S3-E6 PolarHBondContact O-N 3.31Å; S3-E6 VanDerWaalsContact O-N 3.15Å; S3-E6 PolarHBondContact OG-N 3.02Å; S3-E6 VanDerWaalsContact OG-N 3.13Å; E6-H9 PolarHBondContact O-N 3.31Å; E6-A10 VanDerWaalsContact O-CB 3.31Å; E6-A10 WeakPolarHBondContact O-CB 3.27Å; E6-A10 PolarHBondContact O-N 3.22Å; E6-I213 HydrophobicContact CG-CD1 4.33Å; E6-I213 WeakPolarHBondContact OE1-CD1 3.44Å |
| 7 | K | 60.9 | Low | 63.6 | Low | 78 Ų | 78 | 85.2 Ų | 85.2 | 34% | 0.339 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.3 | -70.2 | -172.1 | -172.6 | 171 | 0 | 111.7 | A2 S3 E4 T5 L11 Y197 | A2-K7 HydrophobicContact CB-CG 4.43Å; A2-K7 WeakPolarHBondContact O-CE 3.35Å; S3-K7 WeakPolarHBondContact O-CG 3.49Å; S3-K7 PolarHBondContact O-N 3.26Å; E4-K7 PolarHBondContact O-N 3.17Å; T5-K7 VanDerWaalsContact C-N 3.34Å; T5-K7 PolarHBondContact O-N 3.16Å; K7-L11 VanDerWaalsContact O-CG 3.31Å; K7-L11 WeakPolarHBondContact O-CG 3.3Å; K7-L11 PolarHBondContact O-N 2.86Å; K7-Y197 WeakPolarHBondContact CA-OH 3.32Å; K7-Y197 WeakPolarHBondContact CB-OH 3.41Å; K7-Y197 WeakPolarHBondContact CG-OH 3.25Å |
| 8 | T | 60.3 | Low | 65 | Low | 78 Ų | 78 | 89.4 Ų | 89.4 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 179.7 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | E4 T5 L11 L12 | E4-T8 WeakPolarHBondContact O-CB 3.47Å; E4-T8 PolarHBondContact O-N 3.38Å; E4-T8 PolarHBondContact O-OG1 3.32Å; T5-T8 PolarHBondContact O-N 2.89Å; T8-L11 PolarHBondContact O-N 3.33Å; T8-L12 HydrophobicContact CG2-CD1 4.2Å; T8-L12 WeakPolarHBondContact O-CB 3.26Å; T8-L12 VanDerWaalsContact O-CG 3.27Å; T8-L12 WeakPolarHBondContact O-CG 3.31Å; T8-L12 PolarHBondContact O-N 3.03Å |
| 9 | H | 60.3 | Low | 66.3 | Low | 118 Ų | 118 | 85.3 Ų | 85.3 | 55% | 0.546 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 178.3 | -164.7 | -96.1 | 0 | 0 | 0 | 112.8 | T5 E6 L12 Q13 | T5-H9 WeakPolarHBondContact O-CB 3.48Å; T5-H9 PolarHBondContact O-N 3.38Å; E6-H9 PolarHBondContact O-N 3.31Å; H9-L12 PolarHBondContact O-N 3.23Å; H9-Q13 PolarHBondContact O-N 3.39Å |
| 10 | A | 58.8 | Low | 67.7 | Low | 21 Ų | 21 | 84.7 Ų | 84.7 | 17% | 0.174 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E6 Q13 T14 Y197 | E6-A10 VanDerWaalsContact O-CB 3.31Å; E6-A10 WeakPolarHBondContact O-CB 3.27Å; E6-A10 PolarHBondContact O-N 3.22Å; A10-Q13 PolarHBondContact O-N 3.3Å; A10-T14 PolarHBondContact O-N 3.28Å; A10-T14 VanDerWaalsContact O-N 3.15Å; A10-T14 PolarHBondContact O-OG1 3.32Å; A10-Y197 HydrophobicContact CB-CD2 3.87Å; A10-Y197 HydrophobicContact CB-CE2 3.72Å |
| 11 | L | 59.6 | Low | 69 | Low | 67 Ų | 67 | 85.9 Ų | 85.9 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 172.8 | -74 | 171.5 | 0 | 0 | 0 | 111.4 | K7 T8 Q13 T14 C15 F194 Y197 | K7-L11 VanDerWaalsContact O-CG 3.31Å; K7-L11 WeakPolarHBondContact O-CG 3.3Å; K7-L11 PolarHBondContact O-N 2.86Å; T8-L11 PolarHBondContact O-N 3.33Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 3.37Å; L11-T14 WeakPolarHBondContact O-CA 3.16Å; L11-T14 WeakPolarHBondContact O-CB 3.41Å; L11-T14 PolarHBondContact O-N 2.88Å; L11-T14 PolarHBondContact O-OG1 3.37Å; L11-T14 VanDerWaalsContact O-OG1 3.14Å; L11-C15 PolarHBondContact O-N 3.05Å; L11-F194 HydrophobicContact CD2-CD2 3.62Å; L11-F194 HydrophobicContact CD2-CE2 3.6Å; L11-Y197 HydrophobicContact CD1-CE1 4.41Å; L11-Y197 HydrophobicContact CD2-CD1 3.89Å; L11-Y197 HydrophobicContact CD2-CE1 3.86Å; L11-Y197 HydrophobicContact CG-CD1 4.44Å; L11-Y197 HydrophobicContact CG-CE1 4Å |
| 12 | L | 59 | Low | 71.3 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 60% | 0.597 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.3 | -37.7 | 174.8 | -72.1 | 168 | 0 | 0 | 0 | 112.3 | T8 H9 T14 C15 S16 | T8-L12 HydrophobicContact CG2-CD1 4.2Å; T8-L12 WeakPolarHBondContact O-CB 3.26Å; T8-L12 VanDerWaalsContact O-CG 3.27Å; T8-L12 WeakPolarHBondContact O-CG 3.31Å; T8-L12 PolarHBondContact O-N 3.03Å; H9-L12 PolarHBondContact O-N 3.23Å; L12-T14 VanDerWaalsContact C-N 3.27Å; L12-T14 PolarHBondContact O-N 3.17Å; L12-C15 CarbonylContact O-C 3.56Å; L12-C15 VanDerWaalsContact O-C 3.26Å; L12-C15 PolarHBondContact O-N 2.96Å; L12-S16 PolarHBondContact O-N 3.18Å |
| 13 | Q | 59.7 | Low | 73.2 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 33% | 0.332 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.5 | -22.7 | 172.1 | -88.3 | -173.3 | -18 | 0 | 0 | 113.9 | H9 A10 L11 C15 R202 | H9-Q13 PolarHBondContact O-N 3.39Å; A10-Q13 PolarHBondContact O-N 3.3Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 3.37Å; Q13-C15 VanDerWaalsContact C-N 3.25Å; Q13-R202 PolarHBondContact O-NH2 2.98Å |
| 14 | T | 62 | Low | 74.4 | Confident | 12 Ų | 12 | 79.1 Ų | 79.1 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -71.5 | -25.7 | 174.5 | -38.8 | 0 | 0 | 0 | 0 | 112.2 | A10 L11 L12 H190 F194 R202 | A10-T14 PolarHBondContact O-N 3.28Å; A10-T14 VanDerWaalsContact O-N 3.15Å; A10-T14 PolarHBondContact O-OG1 3.32Å; L11-T14 WeakPolarHBondContact O-CA 3.16Å; L11-T14 WeakPolarHBondContact O-CB 3.41Å; L11-T14 PolarHBondContact O-N 2.88Å; L11-T14 PolarHBondContact O-OG1 3.37Å; L11-T14 VanDerWaalsContact O-OG1 3.14Å; L12-T14 VanDerWaalsContact C-N 3.27Å; L12-T14 PolarHBondContact O-N 3.17Å; T14-H190 PolarHBondContact O-ND1 3.12Å; T14-F194 HydrophobicContact CG2-CB 4.41Å; T14-R202 PolarHBondContact OG1-NH1 3.5Å |
| 15 | C | 70.6 | Confident | 76 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 37.5 | -172.4 | -156.1 | 0 | 0 | 0 | 0 | 109.8 | L11 L12 Q13 | L11-C15 PolarHBondContact O-N 3.05Å; L12-C15 CarbonylContact O-C 3.56Å; L12-C15 VanDerWaalsContact O-C 3.26Å; L12-C15 PolarHBondContact O-N 2.96Å; Q13-C15 VanDerWaalsContact C-N 3.25Å |
| 16 | S | 84.5 | Confident | 77.8 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 28% | 0.28 | 37% | 0.369 | S | S | . | . | trans | -64.6 | 150.7 | 175.2 | 73.1 | 0 | 0 | 0 | 0 | 109.4 | L12 E18 S19 L20 | L12-S16 PolarHBondContact O-N 3.18Å; S16-E18 PolarHBondContact O-N 3.42Å; S16-S19 PolarHBondContact N-OG 2.75Å; S16-S19 PolarHBondContact O-N 3.38Å; S16-S19 PolarHBondContact O-OG 2.93Å; S16-S19 WeakPolarHBondContact OG-CB 3.21Å; S16-S19 PolarHBondContact OG-N 2.9Å; S16-S19 VanDerWaalsContact OG-N 3.12Å; S16-S19 PolarHBondContact OG-OG 2.9Å; S16-L20 PolarHBondContact O-N 3Å | ||
| 17 | T | 86.3 | Confident | 79.7 | Confident | 107 Ų | 107 | 63.6 Ų | 63.6 | 66% | 0.656 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -53 | -39.9 | 176.5 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | L20 I21 | T17-L20 PolarHBondContact O-N 2.96Å; T17-I21 HydrophobicContact CG2-CD1 3.91Å; T17-I21 HydrophobicContact CG2-CG1 4.49Å; T17-I21 WeakPolarHBondContact O-CB 3.34Å; T17-I21 VanDerWaalsContact O-CG1 3.25Å; T17-I21 WeakPolarHBondContact O-CG1 3.36Å; T17-I21 PolarHBondContact O-N 3.24Å |
| 18 | E | 88.9 | Confident | 81.5 | Confident | 161 Ų | 161 | 63.9 Ų | 63.9 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.4 | -45.2 | 176.2 | -63.5 | 177.8 | 176.8 | 0 | 0 | 112.4 | S16 L20 I21 S22 | S16-E18 PolarHBondContact O-N 3.42Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 2.88Å; E18-I21 PolarHBondContact O-N 3.48Å; E18-S22 WeakPolarHBondContact O-CB 3.29Å; E18-S22 PolarHBondContact O-N 3.47Å |
| 19 | S | 90.3 | Very high | 83.3 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 178.4 | 71 | 0 | 0 | 0 | 0 | 111.7 | S16 S22 S23 H190 | S16-S19 PolarHBondContact N-OG 2.75Å; S16-S19 PolarHBondContact O-N 3.38Å; S16-S19 PolarHBondContact O-OG 2.93Å; S16-S19 WeakPolarHBondContact OG-CB 3.21Å; S16-S19 PolarHBondContact OG-N 2.9Å; S16-S19 VanDerWaalsContact OG-N 3.12Å; S16-S19 PolarHBondContact OG-OG 2.9Å; S19-S22 PolarHBondContact O-N 3.45Å; S19-S23 WeakPolarHBondContact O-CB 3.36Å; S19-S23 PolarHBondContact O-N 3.05Å; S19-S23 PolarHBondContact O-OG 3.14Å; S19-H190 PolarHBondContact OG-CE1 3.29Å |
| 20 | L | 93.4 | Very high | 85.1 | Confident | 73 Ų | 73 | 57 Ų | 57 | 38% | 0.382 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 176.1 | -70.1 | 176.5 | 0 | 0 | 0 | 111.9 | S16 T17 E18 S22 S23 L24 | S16-L20 PolarHBondContact O-N 3Å; T17-L20 PolarHBondContact O-N 2.96Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 2.88Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 3.19Å; L20-S23 PolarHBondContact O-N 3.2Å; L20-L24 WeakPolarHBondContact O-CG 3.34Å; L20-L24 PolarHBondContact O-N 2.94Å |
| 21 | I | 95.1 | Very high | 87 | Confident | 110 Ų | 110 | 59.7 Ų | 59.7 | 56% | 0.564 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | 175.2 | -70 | 167.4 | 0 | 0 | 0 | 110.2 | T17 E18 S23 L24 G25 | T17-I21 HydrophobicContact CG2-CD1 3.91Å; T17-I21 HydrophobicContact CG2-CG1 4.49Å; T17-I21 WeakPolarHBondContact O-CB 3.34Å; T17-I21 VanDerWaalsContact O-CG1 3.25Å; T17-I21 WeakPolarHBondContact O-CG1 3.36Å; T17-I21 PolarHBondContact O-N 3.24Å; E18-I21 PolarHBondContact O-N 3.48Å; I21-S23 PolarHBondContact O-N 3.04Å; I21-L24 PolarHBondContact O-N 3.41Å; I21-G25 PolarHBondContact O-N 2.87Å |
| 22 | S | 95.5 | Very high | 88.8 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 27% | 0.266 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.9 | -170.3 | 0 | 0 | 0 | 0 | 112 | E18 S19 L20 G25 L26 W63 V67 | E18-S22 WeakPolarHBondContact O-CB 3.29Å; E18-S22 PolarHBondContact O-N 3.47Å; S19-S22 PolarHBondContact O-N 3.45Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 3.19Å; S22-G25 CarbonylContact O-C 3.48Å; S22-G25 WeakPolarHBondContact O-CA 3.34Å; S22-G25 PolarHBondContact O-N 3.23Å; S22-G25 VanDerWaalsContact O-N 3.17Å; S22-L26 PolarHBondContact O-N 2.98Å; S22-W63 PolarHBondContact OG-NE1 2.79Å; S22-V67 WeakPolarHBondContact OG-CG2 3.44Å |
| 23 | S | 95.9 | Very high | 90.7 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -36 | 175.9 | -69.4 | 0 | 0 | 0 | 0 | 113.6 | S19 L20 I21 G25 L26 G27 S186 H190 | S19-S23 WeakPolarHBondContact O-CB 3.36Å; S19-S23 PolarHBondContact O-N 3.05Å; S19-S23 PolarHBondContact O-OG 3.14Å; L20-S23 PolarHBondContact O-N 3.2Å; I21-S23 PolarHBondContact O-N 3.04Å; S23-G25 VanDerWaalsContact C-N 3.33Å; S23-L26 WeakPolarHBondContact O-CB 3.39Å; S23-L26 PolarHBondContact O-N 3.39Å; S23-G27 PolarHBondContact O-N 3.39Å; S23-S186 WeakPolarHBondContact CB-O 3.45Å; S23-S186 WeakPolarHBondContact O-CB 3.38Å; S23-S186 PolarHBondContact OG-O 3.13Å; S23-H190 VanDerWaalsContact CB-NE2 3.3Å; S23-H190 WeakPolarHBondContact CB-NE2 3.16Å; S23-H190 PolarHBondContact OG-CD2 3.19Å; S23-H190 PolarHBondContact OG-NE2 2.82Å |
| 24 | L | 97.1 | Very high | 92.4 | Very high | 123 Ų | 123 | 52.6 Ų | 52.6 | 64% | 0.644 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 169.3 | -72 | 171 | 0 | 0 | 0 | 110.8 | L20 I21 L26 G27 V28 | L20-L24 WeakPolarHBondContact O-CG 3.34Å; L20-L24 PolarHBondContact O-N 2.94Å; I21-L24 PolarHBondContact O-N 3.41Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.77Å; L24-G27 WeakPolarHBondContact O-CA 2.98Å; L24-G27 PolarHBondContact O-N 2.87Å; L24-G27 VanDerWaalsContact O-N 3.14Å; L24-V28 WeakPolarHBondContact O-CG2 3.46Å; L24-V28 PolarHBondContact O-N 2.92Å |
| 25 | G | 98.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 60 Ų | 60 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I21 S22 S23 G27 V28 F29 | I21-G25 PolarHBondContact O-N 2.87Å; S22-G25 CarbonylContact O-C 3.48Å; S22-G25 WeakPolarHBondContact O-CA 3.34Å; S22-G25 PolarHBondContact O-N 3.23Å; S22-G25 VanDerWaalsContact O-N 3.17Å; S23-G25 VanDerWaalsContact C-N 3.33Å; G25-G27 VanDerWaalsContact C-N 3.32Å; G25-G27 PolarHBondContact O-N 3.38Å; G25-V28 PolarHBondContact O-N 3.26Å; G25-F29 WeakPolarHBondContact O-CB 3.39Å; G25-F29 PolarHBondContact O-N 3.43Å |
| 26 | L | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 173.5 | 176.5 | 58.1 | 0 | 0 | 0 | 111.6 | S22 S23 L24 F29 C30 I60 W63 T185 P189 | S22-L26 PolarHBondContact O-N 2.98Å; S23-L26 WeakPolarHBondContact O-CB 3.39Å; S23-L26 PolarHBondContact O-N 3.39Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.77Å; L26-F29 WeakPolarHBondContact O-CB 3.23Å; L26-F29 PolarHBondContact O-N 3.23Å; L26-C30 PolarHBondContact O-N 3.43Å; L26-C30 PolarHBondContact O-SG 2.72Å; L26-I60 HydrophobicContact CD1-CG1 4.27Å; L26-I60 HydrophobicContact CD1-CG2 4.48Å; L26-W63 HydrophobicContact CB-CD2 4.36Å; L26-W63 HydrophobicContact CB-CG 4.41Å; L26-W63 HydrophobicContact CD1-CB 4.03Å; L26-W63 HydrophobicContact CD1-CD2 4.23Å; L26-W63 HydrophobicContact CD1-CE3 4.3Å; L26-W63 HydrophobicContact CD1-CG 4.13Å; L26-T185 HydrophobicContact CD2-CG2 4.33Å; L26-T185 HydrophobicContact CG-CG2 4.43Å; L26-P189 HydrophobicContact CD2-CG 4.42Å |
| 27 | G | 98.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S23 L24 G25 F29 C30 L31 | S23-G27 PolarHBondContact O-N 3.39Å; L24-G27 WeakPolarHBondContact O-CA 2.98Å; L24-G27 PolarHBondContact O-N 2.87Å; L24-G27 VanDerWaalsContact O-N 3.14Å; G25-G27 VanDerWaalsContact C-N 3.32Å; G25-G27 PolarHBondContact O-N 3.38Å; G27-F29 VanDerWaalsContact C-N 3.32Å; G27-F29 PolarHBondContact O-N 3.01Å; G27-C30 WeakPolarHBondContact O-CB 3.21Å; G27-C30 PolarHBondContact O-N 3.3Å; G27-L31 WeakPolarHBondContact O-CG 3.08Å; G27-L31 PolarHBondContact O-N 3.39Å; G27-L31 VanDerWaalsContact O-N 3.13Å |
| 28 | V | 98.4 | Very high | 96.4 | Very high | 85 Ų | 85 | 60.4 Ų | 60.4 | 52% | 0.515 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 175.7 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L24 G25 C30 L31 V32 | L24-V28 WeakPolarHBondContact O-CG2 3.46Å; L24-V28 PolarHBondContact O-N 2.92Å; G25-V28 PolarHBondContact O-N 3.26Å; V28-C30 VanDerWaalsContact C-N 3.33Å; V28-C30 PolarHBondContact O-N 2.92Å; V28-L31 WeakPolarHBondContact O-CB 3.41Å; V28-L31 PolarHBondContact O-N 3.03Å; V28-V32 HydrophobicContact CG1-CG2 4.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.37Å; V28-V32 PolarHBondContact O-N 3.1Å |
| 29 | F | 98.6 | Very high | 96.8 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 23% | 0.228 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 175 | 171.9 | -98.9 | 0 | 0 | 0 | 111.4 | G25 L26 G27 L31 V32 A33 V56 V59 I60 W63 | G25-F29 WeakPolarHBondContact O-CB 3.39Å; G25-F29 PolarHBondContact O-N 3.43Å; L26-F29 WeakPolarHBondContact O-CB 3.23Å; L26-F29 PolarHBondContact O-N 3.23Å; G27-F29 VanDerWaalsContact C-N 3.32Å; G27-F29 PolarHBondContact O-N 3.01Å; F29-L31 VanDerWaalsContact C-N 3.32Å; F29-L31 PolarHBondContact O-N 3.5Å; F29-V32 PolarHBondContact O-N 2.79Å; F29-A33 HydrophobicContact CE1-CB 4.18Å; F29-A33 HydrophobicContact CE2-CB 4.14Å; F29-A33 HydrophobicContact CZ-CB 3.95Å; F29-A33 WeakPolarHBondContact O-CB 3.4Å; F29-A33 PolarHBondContact O-N 3.22Å; F29-V56 HydrophobicContact CE1-CG1 4.15Å; F29-V59 HydrophobicContact CD1-CG1 4.27Å; F29-V59 HydrophobicContact CE1-CB 3.99Å; F29-V59 HydrophobicContact CE1-CG1 3.6Å; F29-V59 HydrophobicContact CE2-CG1 3.97Å; F29-V59 HydrophobicContact CZ-CB 3.78Å; F29-V59 HydrophobicContact CZ-CG1 3.43Å; F29-V59 VanDerWaalsContact CZ-CG1 3.43Å; F29-V59 HydrophobicContact CZ-CG2 4.39Å; F29-I60 HydrophobicContact CD1-CG1 4.31Å; F29-I60 HydrophobicContact CE1-CG1 4.03Å; F29-W63 HydrophobicContact CB-CE3 4.29Å; F29-W63 HydrophobicContact CB-CH2 4.21Å; F29-W63 HydrophobicContact CB-CZ3 3.63Å; F29-W63 HydrophobicContact CD1-CE3 4.47Å; F29-W63 HydrophobicContact CD1-CZ3 4.45Å; F29-W63 HydrophobicContact CD2-CZ3 4.04Å; F29-W63 HydrophobicContact CG-CE3 4.23Å; F29-W63 AromaticContact CG-CZ3 3.78Å; F29-W63 HydrophobicContact CG-CZ3 3.78Å |
| 30 | C | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.1 | -46.4 | 175.4 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | L26 G27 V28 V32 D34 Y181 V182 | L26-C30 PolarHBondContact O-N 3.43Å; L26-C30 PolarHBondContact O-SG 2.72Å; G27-C30 WeakPolarHBondContact O-CB 3.21Å; G27-C30 PolarHBondContact O-N 3.3Å; V28-C30 VanDerWaalsContact C-N 3.33Å; V28-C30 PolarHBondContact O-N 2.92Å; C30-V32 PolarHBondContact O-N 3.09Å; C30-D34 WeakPolarHBondContact O-CB 3.43Å; C30-D34 PolarHBondContact O-N 2.86Å; C30-D34 VanDerWaalsContact O-N 3.14Å; C30-Y181 HydrophobicContact CB-CE1 3.97Å; C30-Y181 HydrophobicContact CB-CE2 4.44Å; C30-Y181 WeakPolarHBondContact CB-OH 3.25Å; C30-Y181 PolarHBondContact SG-OH 3.41Å; C30-Y181 VanDerWaalsContact SG-OH 3.4Å; C30-V182 HydrophobicContact CB-CG2 4.25Å |
| 31 | L | 98 | Very high | 97.1 | Very high | 77 Ų | 77 | 62.7 Ų | 62.7 | 40% | 0.403 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 176.9 | -61.2 | 177 | 0 | 0 | 0 | 112.1 | G27 V28 F29 R35 F178 V182 | G27-L31 WeakPolarHBondContact O-CG 3.08Å; G27-L31 PolarHBondContact O-N 3.39Å; G27-L31 VanDerWaalsContact O-N 3.13Å; V28-L31 WeakPolarHBondContact O-CB 3.41Å; V28-L31 PolarHBondContact O-N 3.03Å; F29-L31 VanDerWaalsContact C-N 3.32Å; F29-L31 PolarHBondContact O-N 3.5Å; L31-R35 WeakPolarHBondContact O-CB 3.36Å; L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 3.36Å; L31-F178 HydrophobicContact CD2-CD1 4.3Å; L31-F178 HydrophobicContact CD2-CE1 3.37Å; L31-F178 HydrophobicContact CD2-CZ 3.99Å; L31-V182 HydrophobicContact CD2-CG1 4.46Å; L31-V182 HydrophobicContact CD2-CG2 3.83Å |
| 32 | V | 98.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.7 | -49.4 | -176 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V28 F29 C30 D34 R35 L36 | V28-V32 HydrophobicContact CG1-CG2 4.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.37Å; V28-V32 PolarHBondContact O-N 3.1Å; F29-V32 PolarHBondContact O-N 2.79Å; C30-V32 PolarHBondContact O-N 3.09Å; V32-D34 PolarHBondContact O-N 3.37Å; V32-R35 PolarHBondContact O-N 3.2Å; V32-L36 HydrophobicContact CG1-CD1 3.91Å; V32-L36 HydrophobicContact CG1-CG 4.25Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 2.99Å |
| 33 | A | 97.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.6 | -47.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F29 R35 L36 L37 V56 | F29-A33 HydrophobicContact CE1-CB 4.18Å; F29-A33 HydrophobicContact CE2-CB 4.14Å; F29-A33 HydrophobicContact CZ-CB 3.95Å; F29-A33 WeakPolarHBondContact O-CB 3.4Å; F29-A33 PolarHBondContact O-N 3.22Å; A33-R35 VanDerWaalsContact C-N 3.28Å; A33-R35 PolarHBondContact O-N 2.95Å; A33-L36 PolarHBondContact O-N 2.91Å; A33-L37 WeakPolarHBondContact O-CG 3.12Å; A33-L37 PolarHBondContact O-N 3.35Å; A33-V56 HydrophobicContact CB-CG1 4.22Å; A33-V56 HydrophobicContact CB-CG2 3.87Å |
| 34 | D | 96.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.2 | -28.8 | -179.5 | -68.4 | -35 | 0 | 0 | 0 | 112.2 | C30 V32 Q38 R158 F178 Y181 | C30-D34 WeakPolarHBondContact O-CB 3.43Å; C30-D34 PolarHBondContact O-N 2.86Å; C30-D34 VanDerWaalsContact O-N 3.14Å; V32-D34 PolarHBondContact O-N 3.37Å; D34-Q38 WeakPolarHBondContact O-CG 3.12Å; D34-R158 IonicContact OD1-CZ 3.44Å; D34-R158 IonicContact OD1-NE 3.82Å; D34-R158 PolarHBondContact OD1-NE 2.79Å; D34-R158 IonicContact OD1-NH2 3.98Å; D34-R158 PolarHBondContact OD1-NH2 3.23Å; D34-F178 HydrophobicContact CB-CE2 3.93Å; D34-F178 HydrophobicContact CB-CZ 4.19Å; D34-Y181 WeakPolarHBondContact OD2-CE1 3.37Å; D34-Y181 VanDerWaalsContact OD2-CZ 3.27Å; D34-Y181 PolarHBondContact OD2-OH 3.47Å |
| 35 | R | 96.5 | Very high | 97.1 | Very high | 167 Ų | 167 | 66.5 Ų | 66.5 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.7 | -41.1 | 171.6 | -70.9 | -68.4 | -173.1 | 135.5 | 4.4 | 112.3 | L31 V32 A33 L37 Q38 | L31-R35 WeakPolarHBondContact O-CB 3.36Å; L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 3.36Å; V32-R35 PolarHBondContact O-N 3.2Å; A33-R35 VanDerWaalsContact C-N 3.28Å; A33-R35 PolarHBondContact O-N 2.95Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-Q38 WeakPolarHBondContact O-CB 2.94Å; R35-Q38 PolarHBondContact O-N 3.01Å |
| 36 | L | 97.3 | Very high | 97 | Very high | 81 Ų | 81 | 68.3 Ų | 68.3 | 42% | 0.424 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.5 | -69.7 | 174.2 | 0 | 0 | 0 | 110.7 | V32 A33 Q38 F39 I42 | V32-L36 HydrophobicContact CG1-CD1 3.91Å; V32-L36 HydrophobicContact CG1-CG 4.25Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 2.99Å; A33-L36 PolarHBondContact O-N 2.91Å; L36-Q38 PolarHBondContact O-N 2.94Å; L36-Q38 VanDerWaalsContact O-N 3.1Å; L36-F39 HydrophobicContact CD2-CD2 4.29Å; L36-F39 HydrophobicContact CD2-CE2 3.5Å; L36-F39 HydrophobicContact CD2-CZ 4.04Å; L36-F39 WeakPolarHBondContact O-CB 3.47Å; L36-F39 WeakPolarHBondContact O-CD2 3.41Å; L36-F39 WeakPolarHBondContact O-CG 3.34Å; L36-F39 PolarHBondContact O-N 3.46Å; L36-I42 WeakPolarHBondContact O-CD1 3.35Å |
| 37 | L | 96.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 75.9 Ų | 75.9 | 9% | 0.089 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.5 | -22.6 | 178.3 | -70.9 | 179.3 | 0 | 0 | 0 | 113.3 | A33 R35 F39 I42 Q43 V56 | A33-L37 WeakPolarHBondContact O-CG 3.12Å; A33-L37 PolarHBondContact O-N 3.35Å; R35-L37 VanDerWaalsContact C-N 3.33Å; L37-F39 VanDerWaalsContact C-N 3.25Å; L37-F39 PolarHBondContact O-N 3.42Å; L37-I42 HydrophobicContact CD2-CD1 4.39Å; L37-I42 HydrophobicContact CD2-CG2 4.11Å; L37-Q43 PolarHBondContact O-NE2 2.85Å; L37-V56 HydrophobicContact CD1-CG2 3.98Å |
| 38 | Q | 96.1 | Very high | 96.8 | Very high | 133 Ų | 133 | 78.7 Ų | 78.7 | 62% | 0.621 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8 | 177.2 | -70.9 | 178.6 | -14.1 | 0 | 0 | 114.1 | D34 R35 L36 | D34-Q38 WeakPolarHBondContact O-CG 3.12Å; R35-Q38 WeakPolarHBondContact O-CB 2.94Å; R35-Q38 PolarHBondContact O-N 3.01Å; L36-Q38 PolarHBondContact O-N 2.94Å; L36-Q38 VanDerWaalsContact O-N 3.1Å |
| 39 | F | 96.9 | Very high | 96.7 | Very high | 119 Ų | 119 | 78.6 Ų | 78.6 | 52% | 0.522 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -61.5 | 139.1 | 177 | -69.3 | -25.9 | 0 | 0 | 0 | 112.3 | L36 L37 T41 I42 Q43 | L36-F39 HydrophobicContact CD2-CD2 4.29Å; L36-F39 HydrophobicContact CD2-CE2 3.5Å; L36-F39 HydrophobicContact CD2-CZ 4.04Å; L36-F39 WeakPolarHBondContact O-CB 3.47Å; L36-F39 WeakPolarHBondContact O-CD2 3.41Å; L36-F39 WeakPolarHBondContact O-CG 3.34Å; L36-F39 PolarHBondContact O-N 3.46Å; L37-F39 VanDerWaalsContact C-N 3.25Å; L37-F39 PolarHBondContact O-N 3.42Å; F39-T41 PolarHBondContact O-N 2.97Å; F39-I42 PolarHBondContact O-N 3.3Å; F39-Q43 PolarHBondContact O-N 3.44Å |
| 40 | S | 95.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 77.2 Ų | 77.2 | 51% | 0.51 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.8 | -38.6 | -176.8 | 53 | 0 | 0 | 0 | 0 | 112.4 | I42 Q43 Q44 | S40-I42 PolarHBondContact O-N 3.12Å; S40-Q43 PolarHBondContact O-N 3.37Å; S40-Q44 VanDerWaalsContact O-CB 3.32Å; S40-Q44 WeakPolarHBondContact O-CB 3.47Å; S40-Q44 VanDerWaalsContact O-CG 3.22Å; S40-Q44 WeakPolarHBondContact O-CG 3.37Å; S40-Q44 PolarHBondContact O-N 3.47Å |
| 41 | T | 95.5 | Very high | 96.6 | Very high | 102 Ų | 102 | 81.4 Ų | 81.4 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -57.4 | -38 | 176.1 | -46.9 | 0 | 0 | 0 | 0 | 112.3 | F39 | F39-T41 PolarHBondContact O-N 2.97Å |
| 42 | I | 95.9 | Very high | 96.6 | Very high | 27 Ų | 27 | 79.1 Ų | 79.1 | 14% | 0.138 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -76 | -46.6 | 176.7 | -64.7 | 176.9 | 0 | 0 | 0 | 110 | L36 L37 F39 S40 Q44 N45 L48 R49 | L36-I42 WeakPolarHBondContact O-CD1 3.35Å; L37-I42 HydrophobicContact CD2-CD1 4.39Å; L37-I42 HydrophobicContact CD2-CG2 4.11Å; F39-I42 PolarHBondContact O-N 3.3Å; S40-I42 PolarHBondContact O-N 3.12Å; I42-Q44 VanDerWaalsContact C-N 3.34Å; I42-Q44 PolarHBondContact O-N 3.37Å; I42-N45 PolarHBondContact O-N 3.29Å; I42-N45 VanDerWaalsContact O-O 3.12Å; I42-L48 HydrophobicContact CB-CD2 4.41Å; I42-L48 HydrophobicContact CB-CG 4.38Å; I42-L48 HydrophobicContact CG1-CD2 3.94Å; I42-L48 HydrophobicContact CG1-CG 4.09Å; I42-L48 HydrophobicContact CG2-CG 4.34Å; I42-R49 HydrophobicContact CG2-CB 4.44Å |
| 43 | Q | 95.6 | Very high | 96.5 | Very high | 84 Ų | 84 | 76.4 Ų | 76.4 | 39% | 0.393 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.2 | -27.2 | -174.9 | -67.6 | -60.5 | -48.2 | 0 | 0 | 114.4 | L37 F39 S40 N45 R49 | L37-Q43 PolarHBondContact O-NE2 2.85Å; F39-Q43 PolarHBondContact O-N 3.44Å; S40-Q43 PolarHBondContact O-N 3.37Å; Q43-N45 VanDerWaalsContact C-N 3.35Å; Q43-R49 VanDerWaalsContact OE1-CD 3.29Å |
| 44 | Q | 95.7 | Very high | 96.5 | Very high | 166 Ų | 166 | 78.2 Ų | 78.2 | 78% | 0.776 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -14.7 | -179.9 | -72.5 | 174.8 | 1 | 0 | 0 | 113.9 | S40 I42 | S40-Q44 VanDerWaalsContact O-CB 3.32Å; S40-Q44 WeakPolarHBondContact O-CB 3.47Å; S40-Q44 VanDerWaalsContact O-CG 3.22Å; S40-Q44 WeakPolarHBondContact O-CG 3.37Å; S40-Q44 PolarHBondContact O-N 3.47Å; I42-Q44 VanDerWaalsContact C-N 3.34Å; I42-Q44 PolarHBondContact O-N 3.37Å |
| 45 | N | 96.3 | Very high | 96.6 | Very high | 80 Ų | 80 | 79.7 Ų | 79.7 | 43% | 0.428 | 40% | 0.401 | S | S | . | . | trans | -116.1 | 111.2 | 179.5 | -178.7 | -30.5 | 0 | 0 | 0 | 109.9 | I42 Q43 W47 L48 R49 | I42-N45 PolarHBondContact O-N 3.29Å; I42-N45 VanDerWaalsContact O-O 3.12Å; Q43-N45 VanDerWaalsContact C-N 3.35Å; N45-W47 VanDerWaalsContact C-N 3.28Å; N45-W47 PolarHBondContact O-N 3.47Å; N45-W47 WeakPolarHBondContact OD1-CB 3.23Å; N45-W47 PolarHBondContact OD1-N 3.28Å; N45-L48 HydrophobicContact CB-CB 3.9Å; N45-L48 PolarHBondContact O-N 2.86Å; N45-L48 VanDerWaalsContact O-N 3.16Å; N45-L48 PolarHBondContact OD1-N 3.41Å; N45-R49 WeakPolarHBondContact O-CB 3.49Å; N45-R49 PolarHBondContact O-N 2.9Å | ||
| 46 | D | 95.4 | Very high | 96.7 | Very high | 64 Ų | 64 | 72.2 Ų | 72.2 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.7 | -39.6 | -177.5 | -77.4 | -29.2 | 0 | 0 | 0 | 113.3 | R49 A50 L103 L107 | D46-R49 IonicContact OD1-CZ 3.66Å; D46-R49 IonicContact OD1-NE 3.82Å; D46-R49 IonicContact OD1-NH2 2.75Å; D46-R49 PolarHBondContact OD1-NH2 3.13Å; D46-A50 VanDerWaalsContact O-CB 3.26Å; D46-A50 WeakPolarHBondContact O-CB 3.47Å; D46-A50 PolarHBondContact O-N 3.02Å; D46-L103 HydrophobicContact CB-CD2 4.09Å; D46-L107 HydrophobicContact CB-CD1 3.79Å |
| 47 | W | 96.3 | Very high | 96.8 | Very high | 159 Ų | 159 | 68.4 Ų | 68.4 | 60% | 0.602 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.7 | -47.4 | 177.5 | -82.2 | 102.7 | 0 | 0 | 0 | 111.6 | N45 R49 A50 V51 L103 | N45-W47 VanDerWaalsContact C-N 3.28Å; N45-W47 PolarHBondContact O-N 3.47Å; N45-W47 WeakPolarHBondContact OD1-CB 3.23Å; N45-W47 PolarHBondContact OD1-N 3.28Å; W47-R49 VanDerWaalsContact C-N 3.32Å; W47-R49 PolarHBondContact O-N 3.05Å; W47-A50 PolarHBondContact O-N 3.46Å; W47-V51 HydrophobicContact CE3-CG2 4.28Å; W47-V51 VanDerWaalsContact O-CB 3.3Å; W47-V51 WeakPolarHBondContact O-CB 3.46Å; W47-V51 VanDerWaalsContact O-CG2 3.27Å; W47-V51 WeakPolarHBondContact O-CG2 3.25Å; W47-V51 PolarHBondContact O-N 3.36Å; W47-L103 HydrophobicContact CB-CD2 4.12Å; W47-L103 HydrophobicContact CD2-CD2 3.38Å; W47-L103 HydrophobicContact CE3-CD2 3.74Å; W47-L103 HydrophobicContact CG-CD2 3.56Å; W47-L103 HydrophobicContact CH2-CB 4.27Å; W47-L103 HydrophobicContact CZ2-CB 3.9Å; W47-L103 HydrophobicContact CZ2-CD2 4.24Å; W47-L103 HydrophobicContact CZ3-CD2 4.3Å |
| 48 | L | 96.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 69.2 Ų | 69.2 | 34% | 0.335 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 179.3 | -175.5 | 54.6 | 0 | 0 | 0 | 110.3 | I42 N45 S52 | I42-L48 HydrophobicContact CB-CD2 4.41Å; I42-L48 HydrophobicContact CB-CG 4.38Å; I42-L48 HydrophobicContact CG1-CD2 3.94Å; I42-L48 HydrophobicContact CG1-CG 4.09Å; I42-L48 HydrophobicContact CG2-CG 4.34Å; N45-L48 HydrophobicContact CB-CB 3.9Å; N45-L48 PolarHBondContact O-N 2.86Å; N45-L48 VanDerWaalsContact O-N 3.16Å; N45-L48 PolarHBondContact OD1-N 3.41Å; L48-S52 WeakPolarHBondContact O-CB 3.3Å; L48-S52 PolarHBondContact O-N 3.08Å; L48-S52 PolarHBondContact O-OG 3.22Å |
| 49 | R | 96.6 | Very high | 97 | Very high | 83 Ų | 83 | 65.3 Ų | 65.3 | 31% | 0.313 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.7 | -54 | 175 | -175.3 | 169.5 | 60.1 | 145.7 | -2.1 | 111.9 | I42 Q43 N45 D46 W47 D53 | I42-R49 HydrophobicContact CG2-CB 4.44Å; Q43-R49 VanDerWaalsContact OE1-CD 3.29Å; N45-R49 WeakPolarHBondContact O-CB 3.49Å; N45-R49 PolarHBondContact O-N 2.9Å; D46-R49 IonicContact OD1-CZ 3.66Å; D46-R49 IonicContact OD1-NE 3.82Å; D46-R49 IonicContact OD1-NH2 2.75Å; D46-R49 PolarHBondContact OD1-NH2 3.13Å; W47-R49 VanDerWaalsContact C-N 3.32Å; W47-R49 PolarHBondContact O-N 3.05Å; R49-D53 WeakPolarHBondContact O-CB 3.31Å; R49-D53 PolarHBondContact O-N 3.11Å |
| 50 | A | 96.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 59.7 Ų | 59.7 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | D46 W47 D53 N54 L103 L107 | D46-A50 VanDerWaalsContact O-CB 3.26Å; D46-A50 WeakPolarHBondContact O-CB 3.47Å; D46-A50 PolarHBondContact O-N 3.02Å; W47-A50 PolarHBondContact O-N 3.46Å; A50-D53 PolarHBondContact O-N 2.8Å; A50-N54 WeakPolarHBondContact O-CB 3.36Å; A50-N54 PolarHBondContact O-N 2.93Å; A50-L103 HydrophobicContact CB-CD1 3.79Å; A50-L103 HydrophobicContact CB-CD2 4.24Å; A50-L107 HydrophobicContact CB-CD2 4.49Å |
| 51 | V | 97.3 | Very high | 97.3 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 53% | 0.527 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 179.1 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | W47 A55 | W47-V51 HydrophobicContact CE3-CG2 4.28Å; W47-V51 VanDerWaalsContact O-CB 3.3Å; W47-V51 WeakPolarHBondContact O-CB 3.46Å; W47-V51 VanDerWaalsContact O-CG2 3.27Å; W47-V51 WeakPolarHBondContact O-CG2 3.25Å; W47-V51 PolarHBondContact O-N 3.36Å; V51-A55 VanDerWaalsContact O-CB 3.23Å; V51-A55 WeakPolarHBondContact O-CB 3.48Å; V51-A55 PolarHBondContact O-N 3.4Å |
| 52 | S | 97.9 | Very high | 97.4 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68 | -38 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | L48 A55 V56 | L48-S52 WeakPolarHBondContact O-CB 3.3Å; L48-S52 PolarHBondContact O-N 3.08Å; L48-S52 PolarHBondContact O-OG 3.22Å; S52-A55 PolarHBondContact O-N 2.91Å; S52-V56 WeakPolarHBondContact O-CG2 3.36Å; S52-V56 PolarHBondContact O-N 3.08Å; S52-V56 VanDerWaalsContact O-N 3.09Å |
| 53 | D | 97.5 | Very high | 97.5 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 175.3 | -159.2 | 48.4 | 0 | 0 | 0 | 111.3 | R49 A50 A55 V56 H57 R158 R162 | R49-D53 WeakPolarHBondContact O-CB 3.31Å; R49-D53 PolarHBondContact O-N 3.11Å; A50-D53 PolarHBondContact O-N 2.8Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 3.43Å; D53-V56 PolarHBondContact O-N 3.19Å; D53-V56 VanDerWaalsContact O-N 3.17Å; D53-H57 PolarHBondContact O-CD2 3.39Å; D53-H57 PolarHBondContact O-N 3.01Å; D53-R158 PolarHBondContact O-NH1 3.3Å; D53-R158 IonicContact OD1-CZ 3.85Å; D53-R158 IonicContact OD1-NH1 3.74Å; D53-R158 PolarHBondContact OD1-NH1 3.17Å; D53-R158 IonicContact OD1-NH2 2.71Å; D53-R158 PolarHBondContact OD1-NH2 3.28Å; D53-R158 IonicContact OD2-NH1 2.8Å; D53-R162 IonicContact OD1-NH1 3.4Å; D53-R162 IonicContact OD1-NH2 3.19Å; D53-R162 IonicContact OD2-CZ 3.21Å; D53-R162 IonicContact OD2-NH1 3.05Å; D53-R162 PolarHBondContact OD2-NH1 3.4Å; D53-R162 IonicContact OD2-NH2 3.36Å; D53-R162 PolarHBondContact OD2-NH2 3.44Å |
| 54 | N | 98.4 | Very high | 97.6 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -33.7 | 177.7 | -166.2 | 8.3 | 0 | 0 | 0 | 112.6 | A50 V56 H57 C58 S88 D91 | A50-N54 WeakPolarHBondContact O-CB 3.36Å; A50-N54 PolarHBondContact O-N 2.93Å; N54-V56 VanDerWaalsContact C-N 3.31Å; N54-V56 PolarHBondContact O-N 3.37Å; N54-H57 WeakPolarHBondContact O-CB 3.38Å; N54-H57 PolarHBondContact O-N 3.31Å; N54-C58 PolarHBondContact O-N 2.98Å; N54-S88 PolarHBondContact O-OG 3.34Å; N54-S88 VanDerWaalsContact O-OG 3.11Å; N54-S88 WeakPolarHBondContact OD1-CA 3.31Å; N54-S88 WeakPolarHBondContact OD1-CB 3.18Å; N54-S88 PolarHBondContact OD1-O 3.28Å; N54-S88 PolarHBondContact OD1-OG 3.15Å; N54-D91 VanDerWaalsContact CG-OD2 3.27Å; N54-D91 PolarHBondContact OD1-OD2 3.4Å |
| 55 | A | 98.6 | Very high | 97.7 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63 | -36.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | V51 S52 D53 C58 V59 | V51-A55 VanDerWaalsContact O-CB 3.23Å; V51-A55 WeakPolarHBondContact O-CB 3.48Å; V51-A55 PolarHBondContact O-N 3.4Å; S52-A55 PolarHBondContact O-N 2.91Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 3.43Å; A55-C58 WeakPolarHBondContact O-CB 3.43Å; A55-C58 PolarHBondContact O-N 3.41Å; A55-V59 WeakPolarHBondContact O-CG2 3.09Å; A55-V59 PolarHBondContact O-N 3.17Å |
| 56 | V | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 173.9 | 175 | 0 | 0 | 0 | 0 | 110.7 | F29 A33 L37 S52 D53 N54 C58 V59 I60 R158 | F29-V56 HydrophobicContact CE1-CG1 4.15Å; A33-V56 HydrophobicContact CB-CG1 4.22Å; A33-V56 HydrophobicContact CB-CG2 3.87Å; L37-V56 HydrophobicContact CD1-CG2 3.98Å; S52-V56 WeakPolarHBondContact O-CG2 3.36Å; S52-V56 PolarHBondContact O-N 3.08Å; S52-V56 VanDerWaalsContact O-N 3.09Å; D53-V56 PolarHBondContact O-N 3.19Å; D53-V56 VanDerWaalsContact O-N 3.17Å; N54-V56 VanDerWaalsContact C-N 3.31Å; N54-V56 PolarHBondContact O-N 3.37Å; V56-C58 VanDerWaalsContact C-N 3.33Å; V56-C58 PolarHBondContact O-N 3.42Å; V56-V59 PolarHBondContact O-N 2.81Å; V56-I60 HydrophobicContact CG1-CD1 3.75Å; V56-I60 HydrophobicContact CG1-CG1 4.3Å; V56-I60 VanDerWaalsContact O-CG1 3.31Å; V56-I60 WeakPolarHBondContact O-CG1 3.42Å; V56-I60 PolarHBondContact O-N 3.33Å; V56-R158 VanDerWaalsContact CG1-NE 3.28Å |
| 57 | H | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 172.9 | -70.2 | -65.3 | 0 | 0 | 0 | 112.3 | D53 N54 I60 G61 A87 H155 R158 D159 | D53-H57 PolarHBondContact O-CD2 3.39Å; D53-H57 PolarHBondContact O-N 3.01Å; N54-H57 WeakPolarHBondContact O-CB 3.38Å; N54-H57 PolarHBondContact O-N 3.31Å; H57-I60 PolarHBondContact O-N 3.44Å; H57-G61 PolarHBondContact O-N 2.9Å; H57-A87 WeakPolarHBondContact O-CB 3.25Å; H57-H155 AromaticContact CD2-CE1 3.89Å; H57-H155 AromaticContact CD2-ND1 3.96Å; H57-H155 AromaticContact CE1-ND1 3.92Å; H57-H155 AromaticContact CG-CE1 3.96Å; H57-H155 AromaticContact CG-ND1 3.57Å; H57-H155 AromaticContact ND1-CG 3.76Å; H57-H155 AromaticContact ND1-ND1 3.57Å; H57-H155 AromaticContact NE2-CE1 3.99Å; H57-R158 PolarHBondContact CD2-NH1 3.17Å; H57-R158 PolarHBondContact CE1-NH1 2.87Å; H57-R158 PolarHBondContact NE2-NH1 3.32Å; H57-D159 IonicContact NE2-OD1 3.01Å |
| 58 | C | 98.7 | Very high | 97.4 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 22% | 0.223 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.4 | -54.8 | 175.2 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | N54 A55 V56 I60 G61 M62 G84 S88 | N54-C58 PolarHBondContact O-N 2.98Å; A55-C58 WeakPolarHBondContact O-CB 3.43Å; A55-C58 PolarHBondContact O-N 3.41Å; V56-C58 VanDerWaalsContact C-N 3.33Å; V56-C58 PolarHBondContact O-N 3.42Å; C58-I60 VanDerWaalsContact C-N 3.35Å; C58-I60 PolarHBondContact O-N 2.71Å; C58-G61 PolarHBondContact O-N 3.22Å; C58-G61 VanDerWaalsContact O-N 3.15Å; C58-M62 VanDerWaalsContact O-CG 3.31Å; C58-M62 WeakPolarHBondContact O-CG 3.23Å; C58-M62 PolarHBondContact O-N 3.2Å; C58-G84 VanDerWaalsContact O-CA 3.3Å; C58-G84 WeakPolarHBondContact O-CA 3.49Å; C58-S88 WeakPolarHBondContact CA-OG 3.21Å; C58-S88 VanDerWaalsContact CB-OG 3.23Å; C58-S88 WeakPolarHBondContact CB-OG 3.4Å; C58-S88 PolarHBondContact N-OG 2.92Å |
| 59 | V | 98.8 | Very high | 97 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 32% | 0.315 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.1 | -41.1 | -176.3 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | F29 A55 V56 G61 M62 W63 | F29-V59 HydrophobicContact CD1-CG1 4.27Å; F29-V59 HydrophobicContact CE1-CB 3.99Å; F29-V59 HydrophobicContact CE1-CG1 3.6Å; F29-V59 HydrophobicContact CE2-CG1 3.97Å; F29-V59 HydrophobicContact CZ-CB 3.78Å; F29-V59 HydrophobicContact CZ-CG1 3.43Å; F29-V59 VanDerWaalsContact CZ-CG1 3.43Å; F29-V59 HydrophobicContact CZ-CG2 4.39Å; A55-V59 WeakPolarHBondContact O-CG2 3.09Å; A55-V59 PolarHBondContact O-N 3.17Å; V56-V59 PolarHBondContact O-N 2.81Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 2.8Å; V59-M62 PolarHBondContact O-N 3.14Å; V59-W63 HydrophobicContact CG1-CE3 4.15Å; V59-W63 VanDerWaalsContact O-CB 3.25Å; V59-W63 WeakPolarHBondContact O-CB 3.31Å; V59-W63 PolarHBondContact O-N 3.34Å |
| 60 | I | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 176 | -69.6 | 172 | 0 | 0 | 0 | 110.5 | L26 F29 V56 H57 C58 S64 T185 | L26-I60 HydrophobicContact CD1-CG1 4.27Å; L26-I60 HydrophobicContact CD1-CG2 4.48Å; F29-I60 HydrophobicContact CD1-CG1 4.31Å; F29-I60 HydrophobicContact CE1-CG1 4.03Å; V56-I60 HydrophobicContact CG1-CD1 3.75Å; V56-I60 HydrophobicContact CG1-CG1 4.3Å; V56-I60 VanDerWaalsContact O-CG1 3.31Å; V56-I60 WeakPolarHBondContact O-CG1 3.42Å; V56-I60 PolarHBondContact O-N 3.33Å; H57-I60 PolarHBondContact O-N 3.44Å; C58-I60 VanDerWaalsContact C-N 3.35Å; C58-I60 PolarHBondContact O-N 2.71Å; I60-S64 WeakPolarHBondContact O-CB 3.46Å; I60-S64 PolarHBondContact O-N 2.94Å; I60-S64 PolarHBondContact O-OG 3.05Å; I60-T185 HydrophobicContact CG2-CG2 3.67Å |
| 61 | G | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H57 C58 V59 W65 | H57-G61 PolarHBondContact O-N 2.9Å; C58-G61 PolarHBondContact O-N 3.22Å; C58-G61 VanDerWaalsContact O-N 3.15Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 2.8Å; G61-W65 PolarHBondContact O-N 2.8Å; G61-W65 VanDerWaalsContact O-N 3.09Å |
| 62 | M | 98.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 29% | 0.291 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.5 | -53 | 176 | -69.1 | 177.3 | 70.3 | 0 | 0 | 111.4 | C58 V59 W65 A66 I80 I81 | C58-M62 VanDerWaalsContact O-CG 3.31Å; C58-M62 WeakPolarHBondContact O-CG 3.23Å; C58-M62 PolarHBondContact O-N 3.2Å; V59-M62 PolarHBondContact O-N 3.14Å; M62-W65 PolarHBondContact O-N 3.45Å; M62-A66 WeakPolarHBondContact O-CB 3.46Å; M62-A66 PolarHBondContact O-N 3.18Å; M62-I80 HydrophobicContact CB-CG2 3.64Å; M62-I80 HydrophobicContact CE-CG2 3.88Å; M62-I80 HydrophobicContact CG-CG2 4.07Å; M62-I80 WeakPolarHBondContact CG-O 3.48Å; M62-I81 HydrophobicContact CE-CG1 4.37Å |
| 63 | W | 98.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 36.7 Ų | 36.7 | 31% | 0.311 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.1 | -40.9 | -174.6 | -157.2 | -26.3 | 0 | 0 | 0 | 111.3 | S22 L26 F29 V59 W65 A66 V67 | S22-W63 PolarHBondContact OG-NE1 2.79Å; L26-W63 HydrophobicContact CB-CD2 4.36Å; L26-W63 HydrophobicContact CB-CG 4.41Å; L26-W63 HydrophobicContact CD1-CB 4.03Å; L26-W63 HydrophobicContact CD1-CD2 4.23Å; L26-W63 HydrophobicContact CD1-CE3 4.3Å; L26-W63 HydrophobicContact CD1-CG 4.13Å; F29-W63 HydrophobicContact CB-CE3 4.29Å; F29-W63 HydrophobicContact CB-CH2 4.21Å; F29-W63 HydrophobicContact CB-CZ3 3.63Å; F29-W63 HydrophobicContact CD1-CE3 4.47Å; F29-W63 HydrophobicContact CD1-CZ3 4.45Å; F29-W63 HydrophobicContact CD2-CZ3 4.04Å; F29-W63 HydrophobicContact CG-CE3 4.23Å; F29-W63 AromaticContact CG-CZ3 3.78Å; F29-W63 HydrophobicContact CG-CZ3 3.78Å; V59-W63 HydrophobicContact CG1-CE3 4.15Å; V59-W63 VanDerWaalsContact O-CB 3.25Å; V59-W63 WeakPolarHBondContact O-CB 3.31Å; V59-W63 PolarHBondContact O-N 3.34Å; W63-W65 PolarHBondContact O-N 3.19Å; W63-A66 WeakPolarHBondContact O-CB 3.18Å; W63-A66 PolarHBondContact O-N 3.26Å; W63-V67 WeakPolarHBondContact O-CG2 3.47Å; W63-V67 PolarHBondContact O-N 3.14Å |
| 64 | S | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 176.2 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | I60 V67 V68 | I60-S64 WeakPolarHBondContact O-CB 3.46Å; I60-S64 PolarHBondContact O-N 2.94Å; I60-S64 PolarHBondContact O-OG 3.05Å; S64-V67 PolarHBondContact O-N 3.39Å; S64-V68 WeakPolarHBondContact O-CG2 3.46Å; S64-V68 PolarHBondContact O-N 3.23Å |
| 65 | W | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68 | -39 | 177.2 | -169.8 | -109.8 | 0 | 0 | 0 | 112.5 | G61 M62 W63 V67 V68 I69 E79 A83 F143 W146 M147 I150 M196 M205 | G61-W65 PolarHBondContact O-N 2.8Å; G61-W65 VanDerWaalsContact O-N 3.09Å; M62-W65 PolarHBondContact O-N 3.45Å; W63-W65 PolarHBondContact O-N 3.19Å; W65-V67 VanDerWaalsContact C-N 3.25Å; W65-V67 PolarHBondContact O-N 3.37Å; W65-V68 HydrophobicContact CE3-CB 4.09Å; W65-V68 HydrophobicContact CE3-CG1 4.12Å; W65-V68 HydrophobicContact CE3-CG2 4.34Å; W65-V68 HydrophobicContact CH2-CG1 4.35Å; W65-V68 HydrophobicContact CZ3-CB 4.37Å; W65-V68 HydrophobicContact CZ3-CG1 3.89Å; W65-V68 WeakPolarHBondContact O-CB 3.38Å; W65-V68 PolarHBondContact O-N 2.96Å; W65-I69 HydrophobicContact CD2-CG2 4.12Å; W65-I69 VanDerWaalsContact CE2-CG2 3.45Å; W65-I69 HydrophobicContact CG-CG2 4.49Å; W65-I69 HydrophobicContact CH2-CG2 4.45Å; W65-I69 HydrophobicContact CZ2-CG2 3.65Å; W65-I69 WeakPolarHBondContact O-CG1 3.44Å; W65-I69 PolarHBondContact O-N 2.97Å; W65-E79 PolarHBondContact NE1-OE2 3.04Å; W65-A83 HydrophobicContact CB-CB 3.44Å; W65-A83 VanDerWaalsContact CB-CB 3.44Å; W65-A83 HydrophobicContact CG-CB 3.83Å; W65-F143 HydrophobicContact CH2-CB 3.9Å; W65-F143 HydrophobicContact CH2-CD2 4.36Å; W65-F143 HydrophobicContact CZ2-CB 3.79Å; W65-F143 AromaticContact CZ2-CD2 3.75Å; W65-F143 HydrophobicContact CZ2-CD2 3.75Å; W65-F143 HydrophobicContact CZ2-CG 4.15Å; W65-W146 HydrophobicContact CH2-CB 4.2Å; W65-W146 HydrophobicContact CZ3-CB 4.08Å; W65-M147 HydrophobicContact CD2-CB 4.21Å; W65-M147 HydrophobicContact CD2-CE 3.98Å; W65-M147 HydrophobicContact CD2-CG 4.13Å; W65-M147 VanDerWaalsContact CE2-CE 3.4Å; W65-M147 HydrophobicContact CE3-CB 4.03Å; W65-M147 HydrophobicContact CE3-CG 4.31Å; W65-M147 HydrophobicContact CG-CE 4.13Å; W65-M147 HydrophobicContact CH2-CB 3.91Å; W65-M147 HydrophobicContact CZ2-CB 4.12Å; W65-M147 HydrophobicContact CZ2-CE 3.86Å; W65-M147 VanDerWaalsContact CZ3-CA 3.5Å; W65-M147 HydrophobicContact CZ3-CB 3.88Å; W65-I150 HydrophobicContact CE3-CG2 3.78Å; W65-I150 HydrophobicContact CZ3-CG2 4.42Å; W65-M196 HydrophobicContact CH2-CE 4.33Å; W65-M205 HydrophobicContact CZ2-CE 4.31Å |
| 66 | A | 95 | Very high | 91.8 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M62 W63 G70 I71 I80 | M62-A66 WeakPolarHBondContact O-CB 3.46Å; M62-A66 PolarHBondContact O-N 3.18Å; W63-A66 WeakPolarHBondContact O-CB 3.18Å; W63-A66 PolarHBondContact O-N 3.26Å; A66-G70 WeakPolarHBondContact O-CA 3.45Å; A66-G70 PolarHBondContact O-N 3.03Å; A66-I71 HydrophobicContact CB-CD1 3.92Å; A66-I71 HydrophobicContact CB-CG1 4.03Å; A66-I80 HydrophobicContact CB-CD1 3.9Å; A66-I80 HydrophobicContact CB-CG1 4.07Å |
| 67 | V | 94.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 174 | 175 | 0 | 0 | 0 | 0 | 111.4 | S22 W63 S64 W65 P189 | S22-V67 WeakPolarHBondContact OG-CG2 3.44Å; W63-V67 WeakPolarHBondContact O-CG2 3.47Å; W63-V67 PolarHBondContact O-N 3.14Å; S64-V67 PolarHBondContact O-N 3.39Å; W65-V67 VanDerWaalsContact C-N 3.25Å; W65-V67 PolarHBondContact O-N 3.37Å; V67-P189 HydrophobicContact CB-CB 3.74Å; V67-P189 HydrophobicContact CB-CG 4.22Å; V67-P189 HydrophobicContact CG1-CB 3.53Å; V67-P189 HydrophobicContact CG1-CG 4.29Å |
| 68 | V | 92.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 179.8 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | S64 W65 I150 P189 C192 M196 | S64-V68 WeakPolarHBondContact O-CG2 3.46Å; S64-V68 PolarHBondContact O-N 3.23Å; W65-V68 HydrophobicContact CE3-CB 4.09Å; W65-V68 HydrophobicContact CE3-CG1 4.12Å; W65-V68 HydrophobicContact CE3-CG2 4.34Å; W65-V68 HydrophobicContact CH2-CG1 4.35Å; W65-V68 HydrophobicContact CZ3-CB 4.37Å; W65-V68 HydrophobicContact CZ3-CG1 3.89Å; W65-V68 WeakPolarHBondContact O-CB 3.38Å; W65-V68 PolarHBondContact O-N 2.96Å; V68-I150 HydrophobicContact CG2-CD1 3.6Å; V68-P189 HydrophobicContact CG2-CB 3.94Å; V68-C192 HydrophobicContact CG2-CB 4.32Å; V68-M196 HydrophobicContact CG1-CE 4.32Å; V68-M196 HydrophobicContact CG1-SD 3.68Å |
| 69 | I | 89.3 | Confident | 90.9 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -85.4 | -27 | -173.4 | 67.7 | -178.6 | 0 | 0 | 0 | 113.2 | W65 D76 I80 M205 | W65-I69 HydrophobicContact CD2-CG2 4.12Å; W65-I69 VanDerWaalsContact CE2-CG2 3.45Å; W65-I69 HydrophobicContact CG-CG2 4.49Å; W65-I69 HydrophobicContact CH2-CG2 4.45Å; W65-I69 HydrophobicContact CZ2-CG2 3.65Å; W65-I69 WeakPolarHBondContact O-CG1 3.44Å; W65-I69 PolarHBondContact O-N 2.97Å; I69-D76 HydrophobicContact CD1-CB 3.83Å; I69-I80 HydrophobicContact CD1-CD1 4.41Å; I69-I80 HydrophobicContact CD1-CG1 4.14Å; I69-M205 HydrophobicContact CG2-CE 4.05Å |
| 70 | G | 87.7 | Confident | 90.8 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 94.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A66 K72 | A66-G70 WeakPolarHBondContact O-CA 3.45Å; A66-G70 PolarHBondContact O-N 3.03Å; G70-K72 WeakPolarHBondContact O-CG 3.3Å; G70-K72 PolarHBondContact O-N 3.07Å |
| 71 | I | 83.3 | Confident | 90.7 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 45% | 0.446 | 28% | 0.282 | S | S | . | . | trans | -53.8 | 120.6 | -173.4 | -50 | 178.9 | 0 | 0 | 0 | 111.2 | A66 D76 F77 I80 | A66-I71 HydrophobicContact CB-CD1 3.92Å; A66-I71 HydrophobicContact CB-CG1 4.03Å; I71-D76 HydrophobicContact CG2-CB 4.47Å; I71-F77 HydrophobicContact CG2-CE2 4.38Å; I71-I80 HydrophobicContact CD1-CD1 3.6Å; I71-I80 HydrophobicContact CG1-CD1 3.69Å | ||
| 72 | K | 80.2 | Confident | 90.7 | Very high | 139 Ų | 139 | 57.4 Ų | 57.4 | 60% | 0.604 | 30% | 0.296 | S | S | * | . | trans | -132.2 | -26.2 | 178.1 | -72.7 | 171.6 | -172.9 | -176.9 | 0 | 113.1 | G70 D76 | G70-K72 WeakPolarHBondContact O-CG 3.3Å; G70-K72 PolarHBondContact O-N 3.07Å; K72-D76 PolarHBondContact N-OD2 3.02Å | ||
| 73 | K | 81.8 | Confident | 90.7 | Very high | 88 Ų | 88 | 54.6 Ų | 54.6 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -131.4 | 160.3 | -172.5 | -58.2 | -176.5 | -174 | -177.1 | 0 | 111.7 | T75 D76 H209 | K73-T75 VanDerWaalsContact C-N 3.27Å; K73-T75 PolarHBondContact O-N 2.68Å; K73-D76 PolarHBondContact N-OD2 3.2Å; K73-D76 VanDerWaalsContact O-CB 3.27Å; K73-D76 WeakPolarHBondContact O-CB 3.35Å; K73-D76 VanDerWaalsContact O-CG 3.31Å; K73-D76 PolarHBondContact O-N 3.32Å; K73-H209 WeakPolarHBondContact CE-O 3.46Å; K73-H209 VanDerWaalsContact NZ-C 3.31Å; K73-H209 PolarHBondContact NZ-O 3.27Å |
| 74 | K | 77.1 | Confident | 90.7 | Very high | 193 Ų | 193 | 50.7 Ų | 50.7 | 84% | 0.839 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -31.6 | 176 | -68.8 | -169.4 | 178 | -176.4 | 0 | 113.2 | D76 F77 | K74-D76 PolarHBondContact O-N 2.88Å; K74-F77 WeakPolarHBondContact O-CB 3.3Å; K74-F77 PolarHBondContact O-N 3.2Å |
| 75 | T | 77.4 | Confident | 90.7 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.6 | 177.2 | 45.8 | 0 | 0 | 0 | 0 | 112.7 | K73 F77 G78 | K73-T75 VanDerWaalsContact C-N 3.27Å; K73-T75 PolarHBondContact O-N 2.68Å; T75-F77 PolarHBondContact O-N 3.2Å; T75-G78 PolarHBondContact O-N 3.07Å; T75-G78 VanDerWaalsContact O-N 3.12Å |
| 76 | D | 86.1 | Confident | 90.7 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -27.6 | -178.9 | -53 | -7.2 | 0 | 0 | 0 | 111.3 | I69 I71 K72 K73 K74 G78 E79 I80 H209 | I69-D76 HydrophobicContact CD1-CB 3.83Å; I71-D76 HydrophobicContact CG2-CB 4.47Å; K72-D76 PolarHBondContact N-OD2 3.02Å; K73-D76 PolarHBondContact N-OD2 3.2Å; K73-D76 VanDerWaalsContact O-CB 3.27Å; K73-D76 WeakPolarHBondContact O-CB 3.35Å; K73-D76 VanDerWaalsContact O-CG 3.31Å; K73-D76 PolarHBondContact O-N 3.32Å; K74-D76 PolarHBondContact O-N 2.88Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.94Å; D76-E79 PolarHBondContact O-N 3.21Å; D76-I80 VanDerWaalsContact O-CG1 3.3Å; D76-I80 WeakPolarHBondContact O-CG1 3.27Å; D76-I80 PolarHBondContact O-N 3.06Å; D76-H209 IonicContact OD1-CD2 2.81Å |
| 77 | F | 90.9 | Very high | 90.9 | Very high | 114 Ų | 114 | 57 Ų | 57 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 175.7 | -76.7 | -90.5 | 0 | 0 | 0 | 112.5 | I71 K74 T75 E79 I80 I81 | I71-F77 HydrophobicContact CG2-CE2 4.38Å; K74-F77 WeakPolarHBondContact O-CB 3.3Å; K74-F77 PolarHBondContact O-N 3.2Å; T75-F77 PolarHBondContact O-N 3.2Å; F77-E79 VanDerWaalsContact C-N 3.33Å; F77-I80 PolarHBondContact O-N 3.18Å; F77-I81 WeakPolarHBondContact O-CB 3.17Å; F77-I81 VanDerWaalsContact O-CG1 3.25Å; F77-I81 WeakPolarHBondContact O-CG1 3.42Å; F77-I81 PolarHBondContact O-N 2.91Å |
| 78 | G | 92.9 | Very high | 91.1 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T75 D76 L82 | T75-G78 PolarHBondContact O-N 3.07Å; T75-G78 VanDerWaalsContact O-N 3.12Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.94Å; G78-L82 WeakPolarHBondContact O-CB 3.42Å; G78-L82 PolarHBondContact O-N 3.29Å |
| 79 | E | 93.5 | Very high | 91.4 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 175.5 | -65.4 | -170.2 | -167.3 | 0 | 0 | 112 | W65 D76 F77 L82 A83 F143 M147 H209 | W65-E79 PolarHBondContact NE1-OE2 3.04Å; D76-E79 PolarHBondContact O-N 3.21Å; F77-E79 VanDerWaalsContact C-N 3.33Å; E79-L82 PolarHBondContact O-N 3.3Å; E79-A83 PolarHBondContact O-N 3.38Å; E79-F143 HydrophobicContact CG-CE2 4.2Å; E79-F143 HydrophobicContact CG-CZ 4.24Å; E79-M147 HydrophobicContact CB-CE 3.64Å; E79-M147 HydrophobicContact CG-CE 4.26Å; E79-M147 WeakPolarHBondContact O-CE 3.35Å; E79-H209 IonicContact OE1-NE2 3.78Å |
| 80 | I | 96 | Very high | 91.7 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 176.9 | -69.6 | 163.7 | 0 | 0 | 0 | 111 | M62 A66 I69 I71 D76 F77 L82 A83 G84 | M62-I80 HydrophobicContact CB-CG2 3.64Å; M62-I80 HydrophobicContact CE-CG2 3.88Å; M62-I80 HydrophobicContact CG-CG2 4.07Å; M62-I80 WeakPolarHBondContact CG-O 3.48Å; A66-I80 HydrophobicContact CB-CD1 3.9Å; A66-I80 HydrophobicContact CB-CG1 4.07Å; I69-I80 HydrophobicContact CD1-CD1 4.41Å; I69-I80 HydrophobicContact CD1-CG1 4.14Å; I71-I80 HydrophobicContact CD1-CD1 3.6Å; I71-I80 HydrophobicContact CG1-CD1 3.69Å; D76-I80 VanDerWaalsContact O-CG1 3.3Å; D76-I80 WeakPolarHBondContact O-CG1 3.27Å; D76-I80 PolarHBondContact O-N 3.06Å; F77-I80 PolarHBondContact O-N 3.18Å; I80-L82 VanDerWaalsContact C-N 3.31Å; I80-L82 PolarHBondContact O-N 3.22Å; I80-A83 WeakPolarHBondContact O-CB 3.15Å; I80-A83 PolarHBondContact O-N 2.96Å; I80-G84 PolarHBondContact O-N 2.96Å |
| 81 | I | 97.4 | Very high | 92.2 | Very high | 104 Ų | 104 | 57 Ų | 57 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.3 | -69 | 166.2 | 0 | 0 | 0 | 110.4 | M62 F77 A83 G84 F85 | M62-I81 HydrophobicContact CE-CG1 4.37Å; F77-I81 WeakPolarHBondContact O-CB 3.17Å; F77-I81 VanDerWaalsContact O-CG1 3.25Å; F77-I81 WeakPolarHBondContact O-CG1 3.42Å; F77-I81 PolarHBondContact O-N 2.91Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3.37Å; I81-G84 PolarHBondContact O-N 3.39Å; I81-F85 WeakPolarHBondContact O-CB 3.39Å; I81-F85 PolarHBondContact O-N 3.47Å |
| 82 | L | 97.2 | Very high | 92.8 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 29% | 0.293 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 176.3 | -178.8 | 61.1 | 0 | 0 | 0 | 111.8 | G78 E79 I80 G84 F85 L86 L144 M147 | G78-L82 WeakPolarHBondContact O-CB 3.42Å; G78-L82 PolarHBondContact O-N 3.29Å; E79-L82 PolarHBondContact O-N 3.3Å; I80-L82 VanDerWaalsContact C-N 3.31Å; I80-L82 PolarHBondContact O-N 3.22Å; L82-G84 VanDerWaalsContact C-N 3.34Å; L82-G84 PolarHBondContact O-N 3.09Å; L82-F85 HydrophobicContact CD1-CD1 4.24Å; L82-F85 PolarHBondContact O-N 2.69Å; L82-L86 HydrophobicContact CD1-CG 4.28Å; L82-L86 HydrophobicContact CG-CD1 4.23Å; L82-L86 HydrophobicContact CG-CG 4.42Å; L82-L86 WeakPolarHBondContact O-CB 3.37Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 2.89Å; L82-L144 HydrophobicContact CD2-CD1 4.31Å; L82-M147 HydrophobicContact CB-SD 4.03Å; L82-M147 HydrophobicContact CD2-SD 3.75Å; L82-M147 HydrophobicContact CG-SD 3.71Å |
| 83 | A | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W65 E79 I80 I81 L86 A87 M147 S151 | W65-A83 HydrophobicContact CB-CB 3.44Å; W65-A83 VanDerWaalsContact CB-CB 3.44Å; W65-A83 HydrophobicContact CG-CB 3.83Å; E79-A83 PolarHBondContact O-N 3.38Å; I80-A83 WeakPolarHBondContact O-CB 3.15Å; I80-A83 PolarHBondContact O-N 2.96Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3.37Å; A83-L86 PolarHBondContact O-N 3.46Å; A83-A87 PolarHBondContact O-N 3.27Å; A83-A87 VanDerWaalsContact O-N 3.08Å; A83-M147 HydrophobicContact CB-CE 4.41Å; A83-M147 HydrophobicContact CB-CG 3.77Å; A83-M147 HydrophobicContact CB-SD 4.15Å; A83-S151 WeakPolarHBondContact CA-OG 3.21Å; A83-S151 WeakPolarHBondContact O-CB 3.37Å; A83-S151 PolarHBondContact O-OG 3.39Å |
| 84 | G | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C58 I80 I81 L82 L86 A87 S88 | C58-G84 VanDerWaalsContact O-CA 3.3Å; C58-G84 WeakPolarHBondContact O-CA 3.49Å; I80-G84 PolarHBondContact O-N 2.96Å; I81-G84 PolarHBondContact O-N 3.39Å; L82-G84 VanDerWaalsContact C-N 3.34Å; L82-G84 PolarHBondContact O-N 3.09Å; G84-L86 VanDerWaalsContact C-N 3.33Å; G84-L86 PolarHBondContact O-N 3.15Å; G84-A87 WeakPolarHBondContact O-CB 3.29Å; G84-A87 PolarHBondContact O-N 2.84Å; G84-A87 VanDerWaalsContact O-N 3.08Å; G84-S88 PolarHBondContact O-N 3.48Å |
| 85 | F | 98.6 | Very high | 95.3 | Very high | 121 Ų | 121 | 41.3 Ų | 41.3 | 53% | 0.531 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.4 | -46.1 | 176 | 172.9 | -98.1 | 0 | 0 | 0 | 112 | I81 L82 A87 S88 V89 | I81-F85 WeakPolarHBondContact O-CB 3.39Å; I81-F85 PolarHBondContact O-N 3.47Å; L82-F85 HydrophobicContact CD1-CD1 4.24Å; L82-F85 PolarHBondContact O-N 2.69Å; F85-A87 VanDerWaalsContact C-N 3.27Å; F85-A87 PolarHBondContact O-N 3.19Å; F85-S88 PolarHBondContact O-N 3.14Å; F85-S88 VanDerWaalsContact O-N 3.13Å; F85-V89 HydrophobicContact CE1-CB 4.29Å; F85-V89 HydrophobicContact CE1-CG1 4.5Å; F85-V89 HydrophobicContact CE1-CG2 4.33Å; F85-V89 HydrophobicContact CE2-CB 4.46Å; F85-V89 HydrophobicContact CE2-CG2 4.41Å; F85-V89 HydrophobicContact CZ-CB 4.15Å; F85-V89 HydrophobicContact CZ-CG2 3.9Å; F85-V89 WeakPolarHBondContact O-CB 3.12Å; F85-V89 PolarHBondContact O-N 3.32Å |
| 86 | L | 98.4 | Very high | 96.2 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.131 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -30.6 | 177.6 | -72.5 | 176 | 0 | 0 | 0 | 112.9 | L82 A83 G84 M147 W152 | L82-L86 HydrophobicContact CD1-CG 4.28Å; L82-L86 HydrophobicContact CG-CD1 4.23Å; L82-L86 HydrophobicContact CG-CG 4.42Å; L82-L86 WeakPolarHBondContact O-CB 3.37Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 2.89Å; A83-L86 PolarHBondContact O-N 3.46Å; G84-L86 VanDerWaalsContact C-N 3.33Å; G84-L86 PolarHBondContact O-N 3.15Å; L86-M147 HydrophobicContact CD1-CG 4.04Å; L86-M147 HydrophobicContact CD1-SD 3.96Å; L86-W152 VanDerWaalsContact O-CD1 3.27Å; L86-W152 PolarHBondContact O-NE1 3.05Å; L86-W152 VanDerWaalsContact O-NE1 3.14Å |
| 87 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.3 | -31.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H57 A83 G84 F85 H155 | H57-A87 WeakPolarHBondContact O-CB 3.25Å; A83-A87 PolarHBondContact O-N 3.27Å; A83-A87 VanDerWaalsContact O-N 3.08Å; G84-A87 WeakPolarHBondContact O-CB 3.29Å; G84-A87 PolarHBondContact O-N 2.84Å; G84-A87 VanDerWaalsContact O-N 3.08Å; F85-A87 VanDerWaalsContact C-N 3.27Å; F85-A87 PolarHBondContact O-N 3.19Å; A87-H155 PolarHBondContact O-ND1 3Å |
| 88 | S | 98.3 | Very high | 97.1 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -88.5 | -29.2 | -178.8 | -75.9 | 0 | 0 | 0 | 0 | 115.4 | N54 C58 G84 F85 I90 D91 | N54-S88 PolarHBondContact O-OG 3.34Å; N54-S88 VanDerWaalsContact O-OG 3.11Å; N54-S88 WeakPolarHBondContact OD1-CA 3.31Å; N54-S88 WeakPolarHBondContact OD1-CB 3.18Å; N54-S88 PolarHBondContact OD1-O 3.28Å; N54-S88 PolarHBondContact OD1-OG 3.15Å; C58-S88 WeakPolarHBondContact CA-OG 3.21Å; C58-S88 VanDerWaalsContact CB-OG 3.23Å; C58-S88 WeakPolarHBondContact CB-OG 3.4Å; C58-S88 PolarHBondContact N-OG 2.92Å; G84-S88 PolarHBondContact O-N 3.48Å; F85-S88 PolarHBondContact O-N 3.14Å; F85-S88 VanDerWaalsContact O-N 3.13Å; S88-I90 PolarHBondContact O-N 3.34Å; S88-D91 PolarHBondContact O-N 3.13Å |
| 89 | V | 97.5 | Very high | 97.2 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -68.6 | -17.8 | -174.2 | 74.5 | 0 | 0 | 0 | 0 | 112.8 | F85 D91 V92 | F85-V89 HydrophobicContact CE1-CB 4.29Å; F85-V89 HydrophobicContact CE1-CG1 4.5Å; F85-V89 HydrophobicContact CE1-CG2 4.33Å; F85-V89 HydrophobicContact CE2-CB 4.46Å; F85-V89 HydrophobicContact CE2-CG2 4.41Å; F85-V89 HydrophobicContact CZ-CB 4.15Å; F85-V89 HydrophobicContact CZ-CG2 3.9Å; F85-V89 WeakPolarHBondContact O-CB 3.12Å; F85-V89 PolarHBondContact O-N 3.32Å; V89-D91 VanDerWaalsContact C-N 3.27Å; V89-D91 PolarHBondContact O-N 3.17Å; V89-V92 HydrophobicContact CG2-CG2 4.18Å; V89-V92 VanDerWaalsContact O-CB 3.29Å; V89-V92 WeakPolarHBondContact O-CB 3.48Å; V89-V92 WeakPolarHBondContact O-CG2 3.42Å; V89-V92 PolarHBondContact O-N 2.69Å; V89-V92 VanDerWaalsContact O-N 3.14Å |
| 90 | I | 96.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -57.9 | -42.2 | 177.4 | -60.4 | 175.9 | 0 | 0 | 0 | 110.5 | S88 V92 D93 L115 W152 H155 | S88-I90 PolarHBondContact O-N 3.34Å; I90-V92 PolarHBondContact O-N 3.16Å; I90-D93 WeakPolarHBondContact O-CB 3.35Å; I90-D93 PolarHBondContact O-N 2.81Å; I90-L115 HydrophobicContact CG2-CB 3.84Å; I90-W152 HydrophobicContact CD1-CB 3.76Å; I90-W152 VanDerWaalsContact CD1-CD1 3.41Å; I90-W152 HydrophobicContact CD1-CD2 3.86Å; I90-W152 HydrophobicContact CD1-CG 3.42Å; I90-W152 VanDerWaalsContact CD1-CG 3.42Å; I90-W152 HydrophobicContact CG1-CD2 4.2Å; I90-W152 HydrophobicContact CG1-CG 4.16Å; I90-H155 HydrophobicContact CD1-CB 3.91Å |
| 91 | D | 97.4 | Very high | 97.3 | Very high | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -61.5 | -17 | -179.8 | -73.8 | -26.5 | 0 | 0 | 0 | 113.8 | N54 S88 V89 D93 H94 H116 H155 | N54-D91 VanDerWaalsContact CG-OD2 3.27Å; N54-D91 PolarHBondContact OD1-OD2 3.4Å; S88-D91 PolarHBondContact O-N 3.13Å; V89-D91 VanDerWaalsContact C-N 3.27Å; V89-D91 PolarHBondContact O-N 3.17Å; D91-D93 PolarHBondContact O-N 3.45Å; D91-H94 WeakPolarHBondContact O-CB 3.39Å; D91-H94 PolarHBondContact O-N 2.86Å; D91-H94 VanDerWaalsContact O-N 3.13Å; D91-H116 IonicContact OD1-CE1 2.79Å; D91-H116 IonicContact OD1-NE2 2.8Å; D91-H116 PolarHBondContact OD1-NE2 2.89Å; D91-H155 IonicContact OD1-CE1 2.99Å; D91-H155 PolarHBondContact OD1-CE1 3.38Å; D91-H155 IonicContact OD1-NE2 3.82Å; D91-H155 IonicContact OD2-CE1 3.97Å |
| 92 | V | 96.5 | Very high | 97.2 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.9 | -24.1 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | V89 I90 H94 F95 F96 | V89-V92 HydrophobicContact CG2-CG2 4.18Å; V89-V92 VanDerWaalsContact O-CB 3.29Å; V89-V92 WeakPolarHBondContact O-CB 3.48Å; V89-V92 WeakPolarHBondContact O-CG2 3.42Å; V89-V92 PolarHBondContact O-N 2.69Å; V89-V92 VanDerWaalsContact O-N 3.14Å; I90-V92 PolarHBondContact O-N 3.16Å; V92-H94 PolarHBondContact O-N 3.03Å; V92-F95 PolarHBondContact O-N 3.37Å; V92-F96 HydrophobicContact CB-CE2 4.38Å; V92-F96 HydrophobicContact CG1-CD2 4Å; V92-F96 HydrophobicContact CG1-CE2 3.52Å; V92-F96 HydrophobicContact CG1-CZ 4.2Å; V92-F96 WeakPolarHBondContact O-CD2 3.18Å; V92-F96 PolarHBondContact O-N 3.18Å |
| 93 | D | 97.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -20.1 | 175.4 | 80.3 | -8.2 | 0 | 0 | 0 | 114.2 | I90 D91 F96 L97 P113 L115 H116 | I90-D93 WeakPolarHBondContact O-CB 3.35Å; I90-D93 PolarHBondContact O-N 2.81Å; D91-D93 PolarHBondContact O-N 3.45Å; D93-F96 PolarHBondContact O-N 3.47Å; D93-L97 WeakPolarHBondContact O-CB 3.43Å; D93-L97 PolarHBondContact O-N 3.22Å; D93-P113 HydrophobicContact CB-CB 4.03Å; D93-P113 WeakPolarHBondContact OD1-CB 3.21Å; D93-P113 WeakPolarHBondContact OD2-CB 3.22Å; D93-L115 HydrophobicContact CB-CB 4.22Å; D93-L115 HydrophobicContact CB-CD1 3.85Å; D93-L115 HydrophobicContact CB-CG 3.86Å; D93-L115 WeakPolarHBondContact OD2-CA 3.41Å; D93-L115 WeakPolarHBondContact OD2-CB 3.35Å; D93-L115 PolarHBondContact OD2-N 2.88Å; D93-H116 VanDerWaalsContact CG-ND1 3.33Å; D93-H116 IonicContact OD1-CE1 3.53Å; D93-H116 PolarHBondContact OD1-CE1 3.44Å; D93-H116 IonicContact OD1-ND1 3.88Å; D93-H116 PolarHBondContact OD1-ND1 3.41Å; D93-H116 IonicContact OD2-CE1 3.78Å; D93-H116 PolarHBondContact OD2-N 3.01Å; D93-H116 IonicContact OD2-ND1 3.3Å; D93-H116 PolarHBondContact OD2-ND1 3.44Å |
| 94 | H | 97.6 | Very high | 97 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 22% | 0.218 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 170.7 | -79.1 | -109.5 | 0 | 0 | 0 | 111.4 | D91 V92 L97 A98 A106 L109 H116 | D91-H94 WeakPolarHBondContact O-CB 3.39Å; D91-H94 PolarHBondContact O-N 2.86Å; D91-H94 VanDerWaalsContact O-N 3.13Å; V92-H94 PolarHBondContact O-N 3.03Å; H94-L97 PolarHBondContact O-N 3.44Å; H94-A98 VanDerWaalsContact O-CB 3.25Å; H94-A98 WeakPolarHBondContact O-CB 3.25Å; H94-A98 PolarHBondContact O-N 2.71Å; H94-A106 HydrophobicContact CB-CB 3.95Å; H94-A106 PolarHBondContact ND1-O 3.25Å; H94-L109 HydrophobicContact CB-CD1 3.83Å; H94-L109 WeakPolarHBondContact ND1-CD1 3.21Å; H94-H116 AromaticContact CD2-CE1 3.41Å; H94-H116 PolarHBondContact CD2-CE1 3.45Å; H94-H116 VanDerWaalsContact CD2-CE1 3.41Å; H94-H116 AromaticContact NE2-CE1 3.35Å; H94-H116 PolarHBondContact NE2-CE1 2.93Å; H94-H116 AromaticContact NE2-ND1 3.92Å; H94-H116 AromaticContact NE2-NE2 3.62Å |
| 95 | F | 97.4 | Very high | 96.9 | Very high | 60 Ų | 60 | 56 Ų | 56 | 26% | 0.263 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.2 | -38.1 | 177.8 | -63.7 | -86.1 | 0 | 0 | 0 | 111.4 | V92 A98 G99 S100 L103 A106 | V92-F95 PolarHBondContact O-N 3.37Å; F95-A98 PolarHBondContact O-N 3.13Å; F95-G99 PolarHBondContact O-N 3.47Å; F95-S100 WeakPolarHBondContact CD1-O 3.23Å; F95-S100 PolarHBondContact O-N 3.15Å; F95-L103 HydrophobicContact CZ-CD1 4.04Å; F95-A106 HydrophobicContact CD1-CB 3.74Å; F95-A106 HydrophobicContact CD2-CB 4.33Å; F95-A106 HydrophobicContact CE1-CB 3.75Å; F95-A106 HydrophobicContact CE2-CB 4.33Å; F95-A106 HydrophobicContact CG-CB 4.07Å; F95-A106 HydrophobicContact CZ-CB 4.06Å |
| 96 | F | 96.9 | Very high | 96.8 | Very high | 162 Ų | 162 | 50.3 Ų | 50.3 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 173.5 | -72.1 | -59.4 | 0 | 0 | 0 | 111.8 | V92 D93 A98 G99 | V92-F96 HydrophobicContact CB-CE2 4.38Å; V92-F96 HydrophobicContact CG1-CD2 4Å; V92-F96 HydrophobicContact CG1-CE2 3.52Å; V92-F96 HydrophobicContact CG1-CZ 4.2Å; V92-F96 WeakPolarHBondContact O-CD2 3.18Å; V92-F96 PolarHBondContact O-N 3.18Å; D93-F96 PolarHBondContact O-N 3.47Å; F96-A98 VanDerWaalsContact C-N 3.35Å; F96-G99 PolarHBondContact O-N 2.84Å |
| 97 | L | 97.1 | Very high | 96.6 | Very high | 46 Ų | 46 | 52.3 Ų | 52.3 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.6 | -32.9 | 177.5 | -179.3 | 58.6 | 0 | 0 | 0 | 112.4 | D93 H94 G99 L109 R111 P113 | D93-L97 WeakPolarHBondContact O-CB 3.43Å; D93-L97 PolarHBondContact O-N 3.22Å; H94-L97 PolarHBondContact O-N 3.44Å; L97-G99 PolarHBondContact O-N 2.67Å; L97-L109 HydrophobicContact CB-CD1 4.28Å; L97-L109 HydrophobicContact CB-CD2 4.26Å; L97-L109 HydrophobicContact CD2-CD1 4.13Å; L97-L109 HydrophobicContact CD2-CD2 4.41Å; L97-L109 HydrophobicContact CG-CD1 4.41Å; L97-L109 HydrophobicContact CG-CD2 4.06Å; L97-R111 HydrophobicContact CD1-CG 4.42Å; L97-R111 VanDerWaalsContact CD1-CZ 3.48Å; L97-R111 VanDerWaalsContact CD1-NH2 3.25Å; L97-R111 HydrophobicContact CD2-CG 3.71Å; L97-R111 WeakPolarHBondContact CD2-O 3.49Å; L97-P113 HydrophobicContact CB-CG 4.43Å; L97-P113 HydrophobicContact CD2-CB 4.3Å; L97-P113 HydrophobicContact CD2-CG 3.97Å |
| 98 | A | 96.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 25% | 0.248 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.6 | -21.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | H94 F95 F96 S100 A105 L109 | H94-A98 VanDerWaalsContact O-CB 3.25Å; H94-A98 WeakPolarHBondContact O-CB 3.25Å; H94-A98 PolarHBondContact O-N 2.71Å; F95-A98 PolarHBondContact O-N 3.13Å; F96-A98 VanDerWaalsContact C-N 3.35Å; A98-S100 PolarHBondContact O-N 2.97Å; A98-A105 HydrophobicContact CB-CB 4.01Å; A98-L109 HydrophobicContact CB-CD2 3.78Å |
| 99 | G | 96.6 | Very high | 96.3 | Very high | 72 Ų | 72 | 58 Ų | 58 | 74% | 0.742 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 26.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112.7 | F95 F96 L97 | F95-G99 PolarHBondContact O-N 3.47Å; F96-G99 PolarHBondContact O-N 2.84Å; L97-G99 PolarHBondContact O-N 2.67Å |
| 100 | S | 96 | Very high | 96 | Very high | 52 Ų | 52 | 62 Ų | 62 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -157.6 | 152.6 | -171.5 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | F95 A98 S102 | F95-S100 WeakPolarHBondContact CD1-O 3.23Å; F95-S100 PolarHBondContact O-N 3.15Å; A98-S100 PolarHBondContact O-N 2.97Å; S100-S102 VanDerWaalsContact C-N 3.27Å; S100-S102 WeakPolarHBondContact OG-CB 3.08Å; S100-S102 PolarHBondContact OG-N 2.92Å; S100-S102 VanDerWaalsContact OG-N 3.1Å |
| 101 | I | 94 | Very high | 95.9 | Very high | 157 Ų | 157 | 69.7 Ų | 69.7 | 81% | 0.805 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -84.4 | 1.1 | 170 | 62.4 | 171.5 | 0 | 0 | 0 | 113.1 | L103 | I101-L103 PolarHBondContact O-N 2.86Š|
| 102 | S | 96.3 | Very high | 95.7 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | trans | -67.2 | 116.1 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | S100 K104 A105 A106 | S100-S102 VanDerWaalsContact C-N 3.27Å; S100-S102 WeakPolarHBondContact OG-CB 3.08Å; S100-S102 PolarHBondContact OG-N 2.92Å; S100-S102 VanDerWaalsContact OG-N 3.1Å; S102-K104 VanDerWaalsContact C-N 3.25Å; S102-K104 PolarHBondContact O-N 2.95Å; S102-A105 WeakPolarHBondContact O-CB 3.33Å; S102-A105 PolarHBondContact O-N 3.47Å; S102-A105 PolarHBondContact OG-N 3.28Å; S102-A106 PolarHBondContact O-N 3.29Å | ||
| 103 | L | 95.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.6 | -41.9 | 175.4 | 179.7 | 63.7 | 0 | 0 | 0 | 111.6 | D46 W47 A50 F95 I101 A105 A106 L107 | D46-L103 HydrophobicContact CB-CD2 4.09Å; W47-L103 HydrophobicContact CB-CD2 4.12Å; W47-L103 HydrophobicContact CD2-CD2 3.38Å; W47-L103 HydrophobicContact CE3-CD2 3.74Å; W47-L103 HydrophobicContact CG-CD2 3.56Å; W47-L103 HydrophobicContact CH2-CB 4.27Å; W47-L103 HydrophobicContact CZ2-CB 3.9Å; W47-L103 HydrophobicContact CZ2-CD2 4.24Å; W47-L103 HydrophobicContact CZ3-CD2 4.3Å; A50-L103 HydrophobicContact CB-CD1 3.79Å; A50-L103 HydrophobicContact CB-CD2 4.24Å; F95-L103 HydrophobicContact CZ-CD1 4.04Å; I101-L103 PolarHBondContact O-N 2.86Å; L103-A105 VanDerWaalsContact C-N 3.26Å; L103-A105 PolarHBondContact O-N 3.37Å; L103-A106 PolarHBondContact O-N 2.87Å; L103-A106 VanDerWaalsContact O-N 3.17Å; L103-L107 HydrophobicContact CD1-CD1 4.05Å; L103-L107 HydrophobicContact CD1-CD2 4.46Å; L103-L107 HydrophobicContact CD1-CG 4.01Å; L103-L107 HydrophobicContact CD2-CD1 4.35Å; L103-L107 HydrophobicContact CG-CD1 3.84Å; L103-L107 HydrophobicContact CG-CG 4.22Å; L103-L107 VanDerWaalsContact O-CG 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å; L103-L107 PolarHBondContact O-N 3.29Å |
| 104 | K | 95.6 | Very high | 95.6 | Very high | 149 Ų | 149 | 73 Ų | 73 | 65% | 0.648 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.3 | -41.1 | 177.7 | -173.5 | 175.1 | -178.1 | 177.5 | 0 | 111.4 | S102 L107 T108 | S102-K104 VanDerWaalsContact C-N 3.25Å; S102-K104 PolarHBondContact O-N 2.95Å; K104-L107 PolarHBondContact O-N 3.47Å; K104-T108 WeakPolarHBondContact O-CG2 3.48Å; K104-T108 PolarHBondContact O-N 2.9Å; K104-T108 PolarHBondContact O-OG1 2.91Å; K104-T108 VanDerWaalsContact O-OG1 3.05Å |
| 105 | A | 95.9 | Very high | 95.5 | Very high | 29 Ų | 29 | 73.1 Ų | 73.1 | 24% | 0.24 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A98 S102 L103 L107 T108 | A98-A105 HydrophobicContact CB-CB 4.01Å; S102-A105 WeakPolarHBondContact O-CB 3.33Å; S102-A105 PolarHBondContact O-N 3.47Å; S102-A105 PolarHBondContact OG-N 3.28Å; L103-A105 VanDerWaalsContact C-N 3.26Å; L103-A105 PolarHBondContact O-N 3.37Å; A105-L107 VanDerWaalsContact C-N 3.26Å; A105-L107 PolarHBondContact O-N 2.86Å; A105-T108 PolarHBondContact O-N 3.38Å |
| 106 | A | 96.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 2% | 0.017 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.4 | -29.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | H94 F95 S102 L103 L109 | H94-A106 HydrophobicContact CB-CB 3.95Å; H94-A106 PolarHBondContact ND1-O 3.25Å; F95-A106 HydrophobicContact CD1-CB 3.74Å; F95-A106 HydrophobicContact CD2-CB 4.33Å; F95-A106 HydrophobicContact CE1-CB 3.75Å; F95-A106 HydrophobicContact CE2-CB 4.33Å; F95-A106 HydrophobicContact CG-CB 4.07Å; F95-A106 HydrophobicContact CZ-CB 4.06Å; S102-A106 PolarHBondContact O-N 3.29Å; L103-A106 PolarHBondContact O-N 2.87Å; L103-A106 VanDerWaalsContact O-N 3.17Å; A106-L109 WeakPolarHBondContact O-CD1 3.44Å; A106-L109 WeakPolarHBondContact O-CG 3.35Å |
| 107 | L | 94.8 | Very high | 95.5 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 36% | 0.356 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -86.6 | -18.4 | 178.3 | -66.4 | 176.7 | 0 | 0 | 0 | 114.1 | D46 A50 L103 K104 A105 | D46-L107 HydrophobicContact CB-CD1 3.79Å; A50-L107 HydrophobicContact CB-CD2 4.49Å; L103-L107 HydrophobicContact CD1-CD1 4.05Å; L103-L107 HydrophobicContact CD1-CD2 4.46Å; L103-L107 HydrophobicContact CD1-CG 4.01Å; L103-L107 HydrophobicContact CD2-CD1 4.35Å; L103-L107 HydrophobicContact CG-CD1 3.84Å; L103-L107 HydrophobicContact CG-CG 4.22Å; L103-L107 VanDerWaalsContact O-CG 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å; L103-L107 PolarHBondContact O-N 3.29Å; K104-L107 PolarHBondContact O-N 3.47Å; A105-L107 VanDerWaalsContact C-N 3.26Å; A105-L107 PolarHBondContact O-N 2.86Å |
| 108 | T | 94.6 | Very high | 95.6 | Very high | 101 Ų | 101 | 61.5 Ų | 61.5 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -113.5 | 41.3 | -177 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | K104 A105 | K104-T108 WeakPolarHBondContact O-CG2 3.48Å; K104-T108 PolarHBondContact O-N 2.9Å; K104-T108 PolarHBondContact O-OG1 2.91Å; K104-T108 VanDerWaalsContact O-OG1 3.05Å; A105-T108 PolarHBondContact O-N 3.38Å |
| 109 | L | 95.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | trans | -69.7 | 141 | -177 | -67.1 | 172 | 0 | 0 | 0 | 112.1 | H94 L97 A98 A106 R111 P113 | H94-L109 HydrophobicContact CB-CD1 3.83Å; H94-L109 WeakPolarHBondContact ND1-CD1 3.21Å; L97-L109 HydrophobicContact CB-CD1 4.28Å; L97-L109 HydrophobicContact CB-CD2 4.26Å; L97-L109 HydrophobicContact CD2-CD1 4.13Å; L97-L109 HydrophobicContact CD2-CD2 4.41Å; L97-L109 HydrophobicContact CG-CD1 4.41Å; L97-L109 HydrophobicContact CG-CD2 4.06Å; A98-L109 HydrophobicContact CB-CD2 3.78Å; A106-L109 WeakPolarHBondContact O-CD1 3.44Å; A106-L109 WeakPolarHBondContact O-CG 3.35Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 2.94Å; L109-P113 HydrophobicContact CD1-CG 3.6Å | ||
| 110 | P | 92.7 | Very high | 95.6 | Very high | 128 Ų | 128 | 59.1 Ų | 59.1 | 83% | 0.831 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -73.7 | -19 | 179.7 | 30.2 | -35.7 | 0 | 0 | 0 | 113 | ||
| 111 | R | 92.9 | Very high | 95.7 | Very high | 162 Ų | 162 | 57 Ų | 57 | 61% | 0.611 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -145 | 157.2 | -179.7 | 65.9 | -173.1 | 177.1 | 103.2 | -4.2 | 110.4 | L97 L109 | L97-R111 HydrophobicContact CD1-CG 4.42Å; L97-R111 VanDerWaalsContact CD1-CZ 3.48Å; L97-R111 VanDerWaalsContact CD1-NH2 3.25Å; L97-R111 HydrophobicContact CD2-CG 3.71Å; L97-R111 WeakPolarHBondContact CD2-O 3.49Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 2.94Å |
| 112 | R | 93.4 | Very high | 95.8 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | trans | -66.7 | 131.5 | 176.7 | -166.9 | 171.4 | -169.9 | -171.4 | -2.4 | 109.5 | H116 D159 G164 W166 | R112-H116 HydrophobicContact CG-CB 3.82Å; R112-H116 PolarHBondContact NE-O 3.43Å; R112-D159 IonicContact NH2-OD2 3.97Å; R112-G164 PolarHBondContact NH1-O 3.41Å; R112-W166 HydrophobicContact CB-CE3 4.18Å; R112-W166 HydrophobicContact CB-CZ3 4.2Å; R112-W166 HydrophobicContact CG-CE3 4.19Å; R112-W166 HydrophobicContact CG-CZ3 4.48Å | ||
| 113 | P | 95.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | trans | -58 | 157.8 | 173.4 | -29 | 38.3 | 0 | 0 | 0 | 114.1 | D93 L97 L109 H116 W166 | D93-P113 HydrophobicContact CB-CB 4.03Å; D93-P113 WeakPolarHBondContact OD1-CB 3.21Å; D93-P113 WeakPolarHBondContact OD2-CB 3.22Å; L97-P113 HydrophobicContact CB-CG 4.43Å; L97-P113 HydrophobicContact CD2-CB 4.3Å; L97-P113 HydrophobicContact CD2-CG 3.97Å; L109-P113 HydrophobicContact CD1-CG 3.6Å; P113-H116 PolarHBondContact O-N 3.34Å; P113-W166 WeakPolarHBondContact O-CZ3 3.21Å | ||
| 114 | F | 95.7 | Very high | 95.9 | Very high | 135 Ų | 135 | 55.4 Ų | 55.4 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -71.4 | -37.3 | -171.2 | 171.9 | -101.2 | 0 | 0 | 0 | 113.6 | H116 C117 V120 | F114-H116 PolarHBondContact O-N 3.32Å; F114-C117 VanDerWaalsContact O-CB 3.23Å; F114-C117 WeakPolarHBondContact O-CB 3.25Å; F114-C117 PolarHBondContact O-N 3.05Å; F114-V120 HydrophobicContact CD1-CG2 4.33Å; F114-V120 HydrophobicContact CD2-CG2 4.22Å; F114-V120 HydrophobicContact CE1-CG1 3.99Å; F114-V120 HydrophobicContact CE1-CG2 3.73Å; F114-V120 HydrophobicContact CE2-CG2 3.62Å; F114-V120 HydrophobicContact CZ-CB 4.48Å; F114-V120 HydrophobicContact CZ-CG1 4.25Å; F114-V120 HydrophobicContact CZ-CG2 3.34Å |
| 115 | L | 96.6 | Very high | 95.9 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.4 | -179.9 | -55.6 | -177.5 | 0 | 0 | 0 | 110.9 | I90 D93 C117 W152 H156 | I90-L115 HydrophobicContact CG2-CB 3.84Å; D93-L115 HydrophobicContact CB-CB 4.22Å; D93-L115 HydrophobicContact CB-CD1 3.85Å; D93-L115 HydrophobicContact CB-CG 3.86Å; D93-L115 WeakPolarHBondContact OD2-CA 3.41Å; D93-L115 WeakPolarHBondContact OD2-CB 3.35Å; D93-L115 PolarHBondContact OD2-N 2.88Å; L115-C117 PolarHBondContact O-N 3.34Å; L115-W152 HydrophobicContact CD2-CH2 4.19Å; L115-H156 PolarHBondContact O-CE1 3.35Å; L115-H156 PolarHBondContact O-NE2 2.95Å |
| 116 | H | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 8.8 | 171.8 | -64.6 | 79.4 | 0 | 0 | 0 | 114.9 | D91 D93 H94 R112 P113 F114 H155 H156 D159 | D91-H116 IonicContact OD1-CE1 2.79Å; D91-H116 IonicContact OD1-NE2 2.8Å; D91-H116 PolarHBondContact OD1-NE2 2.89Å; D93-H116 VanDerWaalsContact CG-ND1 3.33Å; D93-H116 IonicContact OD1-CE1 3.53Å; D93-H116 PolarHBondContact OD1-CE1 3.44Å; D93-H116 IonicContact OD1-ND1 3.88Å; D93-H116 PolarHBondContact OD1-ND1 3.41Å; D93-H116 IonicContact OD2-CE1 3.78Å; D93-H116 PolarHBondContact OD2-N 3.01Å; D93-H116 IonicContact OD2-ND1 3.3Å; D93-H116 PolarHBondContact OD2-ND1 3.44Å; H94-H116 AromaticContact CD2-CE1 3.41Å; H94-H116 PolarHBondContact CD2-CE1 3.45Å; H94-H116 VanDerWaalsContact CD2-CE1 3.41Å; H94-H116 AromaticContact NE2-CE1 3.35Å; H94-H116 PolarHBondContact NE2-CE1 2.93Å; H94-H116 AromaticContact NE2-ND1 3.92Å; H94-H116 AromaticContact NE2-NE2 3.62Å; R112-H116 HydrophobicContact CG-CB 3.82Å; R112-H116 PolarHBondContact NE-O 3.43Å; P113-H116 PolarHBondContact O-N 3.34Å; F114-H116 PolarHBondContact O-N 3.32Å; H116-H155 AromaticContact CD2-NE2 3.63Å; H116-H155 AromaticContact NE2-NE2 3.22Å; H116-H155 PolarHBondContact NE2-NE2 2.83Å; H116-H156 VanDerWaalsContact C-CE1 3.46Å; H116-D159 IonicContact CD2-OD2 3.95Å; H116-D159 PolarHBondContact CD2-OD2 3.2Å; H116-D159 IonicContact NE2-OD2 3.88Å |
| 117 | C | 97.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | trans | -83.3 | 112.7 | 165.5 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | F114 L115 T119 V120 W166 | F114-C117 VanDerWaalsContact O-CB 3.23Å; F114-C117 WeakPolarHBondContact O-CB 3.25Å; F114-C117 PolarHBondContact O-N 3.05Å; L115-C117 PolarHBondContact O-N 3.34Å; C117-T119 PolarHBondContact O-N 2.78Å; C117-T119 VanDerWaalsContact O-N 3.1Å; C117-V120 HydrophobicContact CB-CG2 3.79Å; C117-V120 VanDerWaalsContact O-CB 3.22Å; C117-V120 WeakPolarHBondContact O-CB 3.31Å; C117-V120 WeakPolarHBondContact O-CG2 3.25Å; C117-V120 PolarHBondContact O-N 3.3Å; C117-W166 CarbonylContact C-O 3.35Å; C117-W166 HydrophobicContact CB-CD2 3.83Å; C117-W166 HydrophobicContact CB-CE3 3.52Å; C117-W166 HydrophobicContact CB-CG 4.43Å; C117-W166 HydrophobicContact CB-CH2 4.39Å; C117-W166 HydrophobicContact CB-CZ3 3.83Å; C117-W166 PolarHBondContact SG-O 3.1Å | ||
| 118 | S | 97.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.9 | -176.6 | -56.5 | 0 | 0 | 0 | 0 | 113.9 | V120 I121 P122 H156 W166 | S118-V120 PolarHBondContact O-N 2.94Å; S118-I121 PolarHBondContact O-N 2.96Å; S118-P122 VanDerWaalsContact O-CD 3.27Å; S118-P122 WeakPolarHBondContact O-CD 3.3Å; S118-H156 WeakPolarHBondContact CA-ND1 3.32Å; S118-H156 PolarHBondContact OG-ND1 2.6Å; S118-W166 WeakPolarHBondContact CB-O 3.42Å; S118-W166 PolarHBondContact N-O 2.79Å |
| 119 | T | 96.8 | Very high | 95.6 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.2 | 172.5 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | C117 I121 P122 V123 I167 C168 | C117-T119 PolarHBondContact O-N 2.78Å; C117-T119 VanDerWaalsContact O-N 3.1Å; T119-I121 VanDerWaalsContact C-N 3.26Å; T119-I121 PolarHBondContact O-N 3.18Å; T119-P122 VanDerWaalsContact O-CD 3.25Å; T119-P122 WeakPolarHBondContact O-CD 3.44Å; T119-P122 WeakPolarHBondContact O-CG 3.45Å; T119-V123 WeakPolarHBondContact O-CG2 3.27Å; T119-I167 WeakPolarHBondContact OG1-CA 3.38Å; T119-C168 WeakPolarHBondContact CG2-O 3.47Å; T119-C168 PolarHBondContact OG1-N 2.85Å; T119-C168 PolarHBondContact OG1-O 2.93Å |
| 120 | V | 97.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.9 | -31.7 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | F114 C117 S118 V123 V124 W152 | F114-V120 HydrophobicContact CD1-CG2 4.33Å; F114-V120 HydrophobicContact CD2-CG2 4.22Å; F114-V120 HydrophobicContact CE1-CG1 3.99Å; F114-V120 HydrophobicContact CE1-CG2 3.73Å; F114-V120 HydrophobicContact CE2-CG2 3.62Å; F114-V120 HydrophobicContact CZ-CB 4.48Å; F114-V120 HydrophobicContact CZ-CG1 4.25Å; F114-V120 HydrophobicContact CZ-CG2 3.34Å; C117-V120 HydrophobicContact CB-CG2 3.79Å; C117-V120 VanDerWaalsContact O-CB 3.22Å; C117-V120 WeakPolarHBondContact O-CB 3.31Å; C117-V120 WeakPolarHBondContact O-CG2 3.25Å; C117-V120 PolarHBondContact O-N 3.3Å; S118-V120 PolarHBondContact O-N 2.94Å; V120-V123 PolarHBondContact O-N 2.79Å; V120-V124 HydrophobicContact CG1-CG2 3.71Å; V120-V124 WeakPolarHBondContact O-CB 3.18Å; V120-V124 WeakPolarHBondContact O-CG2 3.32Å; V120-V124 PolarHBondContact O-N 2.93Å; V120-W152 HydrophobicContact CG1-CZ3 4.04Å |
| 121 | I | 97.7 | Very high | 95.3 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.8 | -62.8 | 179.9 | -58.1 | 169.8 | 0 | 0 | 0 | 111.5 | S118 T119 V123 V124 V125 F149 W152 H156 | S118-I121 PolarHBondContact O-N 2.96Å; T119-I121 VanDerWaalsContact C-N 3.26Å; T119-I121 PolarHBondContact O-N 3.18Å; I121-V123 VanDerWaalsContact C-N 3.26Å; I121-V123 PolarHBondContact O-N 2.65Å; I121-V124 PolarHBondContact O-N 3.44Å; I121-V125 HydrophobicContact CG2-CG2 4.29Å; I121-V125 WeakPolarHBondContact O-CB 3.04Å; I121-V125 WeakPolarHBondContact O-CG2 3.34Å; I121-V125 PolarHBondContact O-N 2.87Å; I121-F149 HydrophobicContact CG2-CD2 3.92Å; I121-F149 HydrophobicContact CG2-CE2 4.48Å; I121-W152 HydrophobicContact CD1-CB 4.1Å; I121-W152 HydrophobicContact CG1-CB 3.9Å; I121-W152 HydrophobicContact CG1-CE3 4.13Å; I121-W152 HydrophobicContact CG2-CB 4.41Å; I121-H156 HydrophobicContact CD1-CB 4.23Å |
| 122 | P | 96.7 | Very high | 95 | Very high | 61 Ų | 61 | 49 Ų | 49 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -33.8 | 179.7 | 24.6 | -34.6 | 0 | 0 | 0 | 112.3 | S118 T119 L126 | S118-P122 VanDerWaalsContact O-CD 3.27Å; S118-P122 WeakPolarHBondContact O-CD 3.3Å; T119-P122 VanDerWaalsContact O-CD 3.25Å; T119-P122 WeakPolarHBondContact O-CD 3.44Å; T119-P122 WeakPolarHBondContact O-CG 3.45Å; P122-L126 VanDerWaalsContact O-CB 3.22Å; P122-L126 WeakPolarHBondContact O-CB 3.32Å; P122-L126 WeakPolarHBondContact O-CG 3.11Å; P122-L126 PolarHBondContact O-N 2.86Å |
| 123 | V | 97 | Very high | 94.7 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -50.1 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | T119 V120 I121 T127 | T119-V123 WeakPolarHBondContact O-CG2 3.27Å; V120-V123 PolarHBondContact O-N 2.79Å; I121-V123 VanDerWaalsContact C-N 3.26Å; I121-V123 PolarHBondContact O-N 2.65Å; V123-T127 VanDerWaalsContact O-CB 3.23Å; V123-T127 WeakPolarHBondContact O-CB 3.45Å; V123-T127 PolarHBondContact O-N 2.82Å; V123-T127 PolarHBondContact O-OG1 2.98Å |
| 124 | V | 96.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 179.7 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | V120 I121 L126 T127 L128 L148 W152 | V120-V124 HydrophobicContact CG1-CG2 3.71Å; V120-V124 WeakPolarHBondContact O-CB 3.18Å; V120-V124 WeakPolarHBondContact O-CG2 3.32Å; V120-V124 PolarHBondContact O-N 2.93Å; I121-V124 PolarHBondContact O-N 3.44Å; V124-L126 PolarHBondContact O-N 2.89Å; V124-T127 PolarHBondContact O-N 2.83Å; V124-L128 VanDerWaalsContact O-CB 3.31Å; V124-L128 WeakPolarHBondContact O-CB 3.44Å; V124-L128 PolarHBondContact O-N 3.25Å; V124-L148 HydrophobicContact CB-CD2 4.44Å; V124-L148 HydrophobicContact CG1-CD1 3.71Å; V124-L148 HydrophobicContact CG1-CD2 3.9Å; V124-W152 HydrophobicContact CB-CZ3 4.36Å; V124-W152 HydrophobicContact CG1-CH2 4.43Å; V124-W152 HydrophobicContact CG1-CZ3 4.47Å; V124-W152 HydrophobicContact CG2-CH2 4.37Å; V124-W152 HydrophobicContact CG2-CZ3 4.07Å |
| 125 | V | 96 | Very high | 93.8 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 179.2 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | I121 L128 K129 P145 L148 F149 | I121-V125 HydrophobicContact CG2-CG2 4.29Å; I121-V125 WeakPolarHBondContact O-CB 3.04Å; I121-V125 WeakPolarHBondContact O-CG2 3.34Å; I121-V125 PolarHBondContact O-N 2.87Å; V125-L128 PolarHBondContact O-N 3.02Å; V125-K129 WeakPolarHBondContact O-CB 3.44Å; V125-K129 PolarHBondContact O-N 3.31Å; V125-P145 HydrophobicContact CG1-CB 4.03Å; V125-L148 HydrophobicContact CG2-CD2 3.75Å; V125-F149 HydrophobicContact CG1-CB 4.48Å; V125-F149 HydrophobicContact CG2-CB 3.81Å; V125-F149 HydrophobicContact CG2-CD2 4.43Å |
| 126 | L | 95.1 | Very high | 93.1 | Very high | 113 Ų | 113 | 66.1 Ų | 66.1 | 59% | 0.592 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.3 | -39.8 | 179.4 | -68.5 | 174.5 | 0 | 0 | 0 | 111.7 | P122 V124 L128 K129 F130 | P122-L126 VanDerWaalsContact O-CB 3.22Å; P122-L126 WeakPolarHBondContact O-CB 3.32Å; P122-L126 WeakPolarHBondContact O-CG 3.11Å; P122-L126 PolarHBondContact O-N 2.86Å; V124-L126 PolarHBondContact O-N 2.89Å; L126-L128 VanDerWaalsContact C-N 3.35Å; L126-K129 PolarHBondContact O-N 2.7Å; L126-F130 VanDerWaalsContact O-CB 3.29Å; L126-F130 WeakPolarHBondContact O-CB 3.39Å; L126-F130 PolarHBondContact O-N 3.03Å |
| 127 | T | 95.1 | Very high | 92 | Very high | 78 Ų | 78 | 70.8 Ų | 70.8 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | V123 V124 F130 T131 | V123-T127 VanDerWaalsContact O-CB 3.23Å; V123-T127 WeakPolarHBondContact O-CB 3.45Å; V123-T127 PolarHBondContact O-N 2.82Å; V123-T127 PolarHBondContact O-OG1 2.98Å; V124-T127 PolarHBondContact O-N 2.83Å; T127-F130 PolarHBondContact O-N 3.43Å; T127-T131 VanDerWaalsContact O-CB 3.25Å; T127-T131 WeakPolarHBondContact O-CB 3.47Å; T127-T131 PolarHBondContact O-N 3.37Å; T127-T131 PolarHBondContact O-OG1 3.04Å |
| 128 | L | 93.3 | Very high | 90.2 | Very high | 42 Ų | 42 | 78.8 Ų | 78.8 | 22% | 0.22 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 176.5 | -177.4 | 61.9 | 0 | 0 | 0 | 110.8 | V124 V125 L126 F130 T131 M132 L144 P145 | V124-L128 VanDerWaalsContact O-CB 3.31Å; V124-L128 WeakPolarHBondContact O-CB 3.44Å; V124-L128 PolarHBondContact O-N 3.25Å; V125-L128 PolarHBondContact O-N 3.02Å; L126-L128 VanDerWaalsContact C-N 3.35Å; L128-F130 VanDerWaalsContact C-N 3.34Å; L128-F130 PolarHBondContact O-N 3.18Å; L128-T131 WeakPolarHBondContact O-CB 3.43Å; L128-T131 PolarHBondContact O-N 3.49Å; L128-M132 HydrophobicContact CD1-CG 4.39Å; L128-M132 HydrophobicContact CD1-SD 4.41Å; L128-M132 HydrophobicContact CG-SD 4.09Å; L128-M132 WeakPolarHBondContact O-CB 3.4Å; L128-M132 WeakPolarHBondContact O-CG 3.37Å; L128-M132 PolarHBondContact O-N 3.44Å; L128-L144 HydrophobicContact CD2-CB 4.41Å; L128-L144 HydrophobicContact CD2-CD2 3.96Å; L128-L144 HydrophobicContact CD2-CG 3.91Å; L128-P145 HydrophobicContact CD2-CB 4.3Å; L128-P145 HydrophobicContact CD2-CG 3.93Å; L128-P145 HydrophobicContact CG-CG 4.04Å |
| 129 | K | 90.6 | Very high | 88.6 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 43% | 0.426 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 177 | -172.2 | 175.8 | -179.5 | 177.6 | 0 | 112 | V125 L126 H133 P145 | V125-K129 WeakPolarHBondContact O-CB 3.44Å; V125-K129 PolarHBondContact O-N 3.31Å; L126-K129 PolarHBondContact O-N 2.7Å; K129-H133 WeakPolarHBondContact O-CB 3.46Å; K129-H133 PolarHBondContact O-N 2.77Å; K129-P145 HydrophobicContact CB-CG 4.41Å |
| 130 | F | 91.3 | Very high | 87.1 | Confident | 123 Ų | 123 | 82.7 Ų | 82.7 | 54% | 0.539 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 176.9 | 179.7 | -110.4 | 0 | 0 | 0 | 111.9 | L126 T127 L128 M132 H133 L134 | L126-F130 VanDerWaalsContact O-CB 3.29Å; L126-F130 WeakPolarHBondContact O-CB 3.39Å; L126-F130 PolarHBondContact O-N 3.03Å; T127-F130 PolarHBondContact O-N 3.43Å; L128-F130 VanDerWaalsContact C-N 3.34Å; L128-F130 PolarHBondContact O-N 3.18Å; F130-M132 PolarHBondContact O-N 2.97Å; F130-H133 WeakPolarHBondContact O-CB 3.42Å; F130-H133 PolarHBondContact O-N 2.85Å; F130-H133 VanDerWaalsContact O-N 3.16Å; F130-L134 HydrophobicContact CD1-CD1 3.83Å; F130-L134 HydrophobicContact CD1-CG 4.21Å; F130-L134 HydrophobicContact CD2-CG 4.48Å; F130-L134 HydrophobicContact CE1-CD1 3.25Å; F130-L134 HydrophobicContact CE1-CD2 4.38Å; F130-L134 HydrophobicContact CE1-CG 3.84Å; F130-L134 HydrophobicContact CE2-CD1 4.38Å; F130-L134 HydrophobicContact CE2-CD2 4.1Å; F130-L134 HydrophobicContact CE2-CG 4.11Å; F130-L134 HydrophobicContact CZ-CD1 3.58Å; F130-L134 HydrophobicContact CZ-CD2 3.84Å; F130-L134 HydrophobicContact CZ-CG 3.78Å; F130-L134 WeakPolarHBondContact O-CG 3.25Å; F130-L134 PolarHBondContact O-N 3.4Å |
| 131 | T | 90.6 | Very high | 86.1 | Confident | 48 Ų | 48 | 89 Ų | 89 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | T127 L128 H133 L134 F135 | T127-T131 VanDerWaalsContact O-CB 3.25Å; T127-T131 WeakPolarHBondContact O-CB 3.47Å; T127-T131 PolarHBondContact O-N 3.37Å; T127-T131 PolarHBondContact O-OG1 3.04Å; L128-T131 WeakPolarHBondContact O-CB 3.43Å; L128-T131 PolarHBondContact O-N 3.49Å; T131-H133 VanDerWaalsContact C-N 3.28Å; T131-H133 PolarHBondContact O-N 3.22Å; T131-L134 PolarHBondContact O-N 3.43Å; T131-F135 HydrophobicContact CG2-CD2 3.58Å; T131-F135 HydrophobicContact CG2-CE2 3.73Å; T131-F135 WeakPolarHBondContact O-CD2 3.29Å; T131-F135 PolarHBondContact O-N 3.37Å |
| 132 | M | 88 | Confident | 85.3 | Confident | 21 Ų | 21 | 89.7 Ų | 89.7 | 10% | 0.103 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 177.1 | -68.7 | 172.7 | 77.5 | 0 | 0 | 112.4 | L128 F130 K136 L137 W141 P145 | L128-M132 HydrophobicContact CD1-CG 4.39Å; L128-M132 HydrophobicContact CD1-SD 4.41Å; L128-M132 HydrophobicContact CG-SD 4.09Å; L128-M132 WeakPolarHBondContact O-CB 3.4Å; L128-M132 WeakPolarHBondContact O-CG 3.37Å; L128-M132 PolarHBondContact O-N 3.44Å; F130-M132 PolarHBondContact O-N 2.97Å; M132-K136 PolarHBondContact O-N 3.14Å; M132-L137 HydrophobicContact CB-CB 4.48Å; M132-L137 HydrophobicContact CG-CD1 4.38Å; M132-L137 PolarHBondContact O-N 3.45Å; M132-W141 HydrophobicContact CE-CB 3.69Å; M132-W141 WeakPolarHBondContact CE-O 3.49Å; M132-P145 HydrophobicContact SD-CG 3.68Å |
| 133 | H | 85.7 | Confident | 84.8 | Confident | 147 Ų | 147 | 87.5 Ų | 87.5 | 68% | 0.681 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.2 | -48.4 | 175 | -177.6 | 71.7 | 0 | 0 | 0 | 111.9 | K129 F130 T131 F135 K136 | K129-H133 WeakPolarHBondContact O-CB 3.46Å; K129-H133 PolarHBondContact O-N 2.77Å; F130-H133 WeakPolarHBondContact O-CB 3.42Å; F130-H133 PolarHBondContact O-N 2.85Å; F130-H133 VanDerWaalsContact O-N 3.16Å; T131-H133 VanDerWaalsContact C-N 3.28Å; T131-H133 PolarHBondContact O-N 3.22Å; H133-F135 PolarHBondContact O-N 3.18Å; H133-K136 PolarHBondContact O-N 2.95Å |
| 134 | L | 88.1 | Confident | 84.6 | Confident | 102 Ų | 102 | 85.3 Ų | 85.3 | 53% | 0.534 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 179.4 | -75.3 | -174.4 | 0 | 0 | 0 | 112.6 | F130 T131 K136 | F130-L134 HydrophobicContact CD1-CD1 3.83Å; F130-L134 HydrophobicContact CD1-CG 4.21Å; F130-L134 HydrophobicContact CD2-CG 4.48Å; F130-L134 HydrophobicContact CE1-CD1 3.25Å; F130-L134 HydrophobicContact CE1-CD2 4.38Å; F130-L134 HydrophobicContact CE1-CG 3.84Å; F130-L134 HydrophobicContact CE2-CD1 4.38Å; F130-L134 HydrophobicContact CE2-CD2 4.1Å; F130-L134 HydrophobicContact CE2-CG 4.11Å; F130-L134 HydrophobicContact CZ-CD1 3.58Å; F130-L134 HydrophobicContact CZ-CD2 3.84Å; F130-L134 HydrophobicContact CZ-CG 3.78Å; F130-L134 WeakPolarHBondContact O-CG 3.25Å; F130-L134 PolarHBondContact O-N 3.4Å; T131-L134 PolarHBondContact O-N 3.43Å; L134-K136 PolarHBondContact O-N 3.25Å |
| 135 | F | 86.3 | Confident | 84.5 | Confident | 148 Ų | 148 | 83.5 Ų | 83.5 | 65% | 0.649 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 4.2 | -178.3 | -70.9 | -68 | 0 | 0 | 0 | 113.4 | T131 H133 L137 | T131-F135 HydrophobicContact CG2-CD2 3.58Å; T131-F135 HydrophobicContact CG2-CE2 3.73Å; T131-F135 WeakPolarHBondContact O-CD2 3.29Å; T131-F135 PolarHBondContact O-N 3.37Å; H133-F135 PolarHBondContact O-N 3.18Å; F135-L137 HydrophobicContact CB-CD1 4.25Å; F135-L137 HydrophobicContact CB-CD2 4.3Å; F135-L137 HydrophobicContact CB-CG 3.8Å; F135-L137 PolarHBondContact O-N 3.28Å |
| 136 | K | 80 | Confident | 84.4 | Confident | 180 Ų | 180 | 84.1 Ų | 84.1 | 78% | 0.783 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 37.2 | -176.2 | -58.1 | 179.5 | -179.5 | 177 | 0 | 111.6 | M132 H133 L134 K138 | M132-K136 PolarHBondContact O-N 3.14Å; H133-K136 PolarHBondContact O-N 2.95Å; L134-K136 PolarHBondContact O-N 3.25Å; K136-K138 PolarHBondContact O-N 3.3Å |
| 137 | L | 73.9 | Confident | 84.5 | Confident | 98 Ų | 98 | 78.7 Ų | 78.7 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | trans | -67.4 | 88.7 | 174.4 | -63.2 | 177.3 | 0 | 0 | 0 | 106 | M132 F135 | M132-L137 HydrophobicContact CB-CB 4.48Å; M132-L137 HydrophobicContact CG-CD1 4.38Å; M132-L137 PolarHBondContact O-N 3.45Å; F135-L137 HydrophobicContact CB-CD1 4.25Å; F135-L137 HydrophobicContact CB-CD2 4.3Å; F135-L137 HydrophobicContact CB-CG 3.8Å; F135-L137 PolarHBondContact O-N 3.28Å | ||
| 138 | K | 61.1 | Low | 84.6 | Confident | 172 Ų | 172 | 75.9 Ų | 75.9 | 75% | 0.748 | 36% | 0.359 | S | S | * | . | trans | -44.6 | 152 | 178.7 | -91.6 | -174 | 171.6 | -177 | 0 | 110.7 | K136 S140 | K136-K138 PolarHBondContact O-N 3.3Å; K138-S140 PolarHBondContact O-N 2.94Å | ||
| 139 | D | 62.4 | Low | 84.8 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -5.9 | -25.6 | 168.9 | -50.6 | -18.1 | 0 | 0 | 0 | 120.3 | W141 C142 M204 | D139-W141 PolarHBondContact O-N 3.5Å; D139-W141 VanDerWaalsContact O-N 3.15Å; D139-C142 PolarHBondContact O-N 3.45Å; D139-C142 PolarHBondContact O-SG 3.41Å; D139-M204 WeakPolarHBondContact OD1-CE 3.34Å |
| 140 | S | 65.4 | Low | 85.2 | Confident | 60 Ų | 60 | 71.7 Ų | 71.7 | 42% | 0.42 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -55.5 | -31.6 | -176.9 | -66.5 | 0 | 0 | 0 | 0 | 114.2 | K138 F143 K208 | K138-S140 PolarHBondContact O-N 2.94Å; S140-F143 WeakPolarHBondContact O-CE1 3.33Å; S140-K208 PolarHBondContact O-NZ 3.13Å |
| 141 | W | 76 | Confident | 85.5 | Confident | 144 Ų | 144 | 65.8 Ų | 65.8 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -120.9 | 12.5 | -176.2 | -64.3 | 85.3 | 0 | 0 | 0 | 113.6 | M132 D139 F143 L144 | M132-W141 HydrophobicContact CE-CB 3.69Å; M132-W141 WeakPolarHBondContact CE-O 3.49Å; D139-W141 PolarHBondContact O-N 3.5Å; D139-W141 VanDerWaalsContact O-N 3.15Å; W141-F143 HydrophobicContact CE3-CZ 4.41Å; W141-F143 PolarHBondContact O-N 3.17Å; W141-L144 HydrophobicContact CE3-CD2 4.11Å; W141-L144 WeakPolarHBondContact O-CB 3.36Å; W141-L144 PolarHBondContact O-N 2.85Å |
| 142 | C | 81.9 | Confident | 85.9 | Confident | 21 Ų | 21 | 64.6 Ų | 64.6 | 14% | 0.142 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -19.7 | -175.7 | 65.5 | 0 | 0 | 0 | 0 | 114.3 | D139 T201 | D139-C142 PolarHBondContact O-N 3.45Å; D139-C142 PolarHBondContact O-SG 3.41Å; C142-T201 HydrophobicContact CB-CG2 4.17Å |
| 143 | F | 87 | Confident | 86.4 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -23.3 | 176.8 | 71.9 | -95.4 | 0 | 0 | 0 | 113.5 | W65 E79 S140 W141 W146 M147 M205 | W65-F143 HydrophobicContact CH2-CB 3.9Å; W65-F143 HydrophobicContact CH2-CD2 4.36Å; W65-F143 HydrophobicContact CZ2-CB 3.79Å; W65-F143 AromaticContact CZ2-CD2 3.75Å; W65-F143 HydrophobicContact CZ2-CD2 3.75Å; W65-F143 HydrophobicContact CZ2-CG 4.15Å; E79-F143 HydrophobicContact CG-CE2 4.2Å; E79-F143 HydrophobicContact CG-CZ 4.24Å; S140-F143 WeakPolarHBondContact O-CE1 3.33Å; W141-F143 HydrophobicContact CE3-CZ 4.41Å; W141-F143 PolarHBondContact O-N 3.17Å; F143-W146 WeakPolarHBondContact O-CB 3.44Å; F143-W146 PolarHBondContact O-N 2.89Å; F143-M147 HydrophobicContact CD2-CB 4.42Å; F143-M147 HydrophobicContact CD2-CE 3.68Å; F143-M147 HydrophobicContact CE2-CE 3.51Å; F143-M147 HydrophobicContact CE2-SD 4.23Å; F143-M147 PolarHBondContact O-N 3.02Å; F143-M205 HydrophobicContact CB-CE 3.68Å; F143-M205 HydrophobicContact CB-SD 3.68Å |
| 144 | L | 91.9 | Very high | 87 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 20% | 0.199 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | -170.2 | -173.6 | 68.4 | 0 | 0 | 0 | 113.8 | L82 L128 W141 W146 M147 L148 | L82-L144 HydrophobicContact CD2-CD1 4.31Å; L128-L144 HydrophobicContact CD2-CB 4.41Å; L128-L144 HydrophobicContact CD2-CD2 3.96Å; L128-L144 HydrophobicContact CD2-CG 3.91Å; W141-L144 HydrophobicContact CE3-CD2 4.11Å; W141-L144 WeakPolarHBondContact O-CB 3.36Å; W141-L144 PolarHBondContact O-N 2.85Å; L144-W146 VanDerWaalsContact C-N 3.26Å; L144-W146 PolarHBondContact O-N 3.14Å; L144-M147 PolarHBondContact O-N 3.36Å; L144-L148 WeakPolarHBondContact O-CB 3.5Å; L144-L148 PolarHBondContact O-N 2.89Å |
| 145 | P | 94.3 | Very high | 87.5 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | 173.9 | -22 | 32.8 | 0 | 0 | 0 | 113.1 | V125 L128 K129 M132 F149 | V125-P145 HydrophobicContact CG1-CB 4.03Å; L128-P145 HydrophobicContact CD2-CB 4.3Å; L128-P145 HydrophobicContact CD2-CG 3.93Å; L128-P145 HydrophobicContact CG-CG 4.04Å; K129-P145 HydrophobicContact CB-CG 4.41Å; M132-P145 HydrophobicContact SD-CG 3.68Å; P145-F149 VanDerWaalsContact O-CB 3.3Å; P145-F149 WeakPolarHBondContact O-CB 3.48Å; P145-F149 PolarHBondContact O-N 3.47Å |
| 146 | W | 95 | Very high | 88.1 | Confident | 30 Ų | 30 | 46 Ų | 46 | 11% | 0.114 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.9 | -37.4 | 179 | -63.8 | 105.6 | 0 | 0 | 0 | 112.4 | W65 F143 L144 F149 I150 I195 M196 T199 T201 | W65-W146 HydrophobicContact CH2-CB 4.2Å; W65-W146 HydrophobicContact CZ3-CB 4.08Å; F143-W146 WeakPolarHBondContact O-CB 3.44Å; F143-W146 PolarHBondContact O-N 2.89Å; L144-W146 VanDerWaalsContact C-N 3.26Å; L144-W146 PolarHBondContact O-N 3.14Å; W146-F149 WeakPolarHBondContact O-CB 3.35Å; W146-F149 PolarHBondContact O-N 3.21Å; W146-I150 PolarHBondContact O-N 2.92Å; W146-I195 HydrophobicContact CH2-CB 4.11Å; W146-I195 HydrophobicContact CH2-CG2 3.39Å; W146-I195 HydrophobicContact CZ2-CG2 4.42Å; W146-I195 HydrophobicContact CZ3-CB 4.14Å; W146-I195 HydrophobicContact CZ3-CG2 3.82Å; W146-M196 HydrophobicContact CB-CE 4.13Å; W146-M196 HydrophobicContact CB-CG 4.14Å; W146-M196 HydrophobicContact CB-SD 3.76Å; W146-M196 HydrophobicContact CD2-CG 3.3Å; W146-M196 HydrophobicContact CD2-SD 4.13Å; W146-M196 HydrophobicContact CE3-CG 3.7Å; W146-M196 HydrophobicContact CG-CE 4.08Å; W146-M196 HydrophobicContact CG-CG 3.51Å; W146-M196 HydrophobicContact CG-SD 3.78Å; W146-M196 HydrophobicContact CZ2-CG 4.2Å; W146-M196 HydrophobicContact CZ3-CG 4.31Å; W146-T199 HydrophobicContact CH2-CG2 4.34Å; W146-T199 HydrophobicContact CZ2-CG2 4.11Å; W146-T199 WeakPolarHBondContact CZ2-OG1 3.21Å; W146-T201 PolarHBondContact NE1-OG1 3.33Å |
| 147 | M | 96.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | 172.4 | -176.4 | -174.3 | -78.1 | 0 | 0 | 110.6 | W65 E79 L82 A83 L86 F143 L144 F149 I150 S151 | W65-M147 HydrophobicContact CD2-CB 4.21Å; W65-M147 HydrophobicContact CD2-CE 3.98Å; W65-M147 HydrophobicContact CD2-CG 4.13Å; W65-M147 VanDerWaalsContact CE2-CE 3.4Å; W65-M147 HydrophobicContact CE3-CB 4.03Å; W65-M147 HydrophobicContact CE3-CG 4.31Å; W65-M147 HydrophobicContact CG-CE 4.13Å; W65-M147 HydrophobicContact CH2-CB 3.91Å; W65-M147 HydrophobicContact CZ2-CB 4.12Å; W65-M147 HydrophobicContact CZ2-CE 3.86Å; W65-M147 VanDerWaalsContact CZ3-CA 3.5Å; W65-M147 HydrophobicContact CZ3-CB 3.88Å; E79-M147 HydrophobicContact CB-CE 3.64Å; E79-M147 HydrophobicContact CG-CE 4.26Å; E79-M147 WeakPolarHBondContact O-CE 3.35Å; L82-M147 HydrophobicContact CB-SD 4.03Å; L82-M147 HydrophobicContact CD2-SD 3.75Å; L82-M147 HydrophobicContact CG-SD 3.71Å; A83-M147 HydrophobicContact CB-CE 4.41Å; A83-M147 HydrophobicContact CB-CG 3.77Å; A83-M147 HydrophobicContact CB-SD 4.15Å; L86-M147 HydrophobicContact CD1-CG 4.04Å; L86-M147 HydrophobicContact CD1-SD 3.96Å; F143-M147 HydrophobicContact CD2-CB 4.42Å; F143-M147 HydrophobicContact CD2-CE 3.68Å; F143-M147 HydrophobicContact CE2-CE 3.51Å; F143-M147 HydrophobicContact CE2-SD 4.23Å; F143-M147 PolarHBondContact O-N 3.02Å; L144-M147 PolarHBondContact O-N 3.36Å; M147-F149 VanDerWaalsContact C-N 3.33Å; M147-F149 PolarHBondContact O-N 3.22Å; M147-I150 VanDerWaalsContact O-CG2 3.31Å; M147-I150 WeakPolarHBondContact O-CG2 3.45Å; M147-I150 PolarHBondContact O-N 2.74Å; M147-S151 VanDerWaalsContact O-CB 3.3Å; M147-S151 WeakPolarHBondContact O-CB 3.48Å; M147-S151 PolarHBondContact O-N 3.31Å; M147-S151 PolarHBondContact O-OG 3.04Å; M147-S151 VanDerWaalsContact O-OG 3.06Å |
| 148 | L | 97.7 | Very high | 90.1 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 176 | -168.6 | 155.1 | 0 | 0 | 0 | 110.9 | V124 V125 L144 I150 S151 W152 | V124-L148 HydrophobicContact CB-CD2 4.44Å; V124-L148 HydrophobicContact CG1-CD1 3.71Å; V124-L148 HydrophobicContact CG1-CD2 3.9Å; V125-L148 HydrophobicContact CG2-CD2 3.75Å; L144-L148 WeakPolarHBondContact O-CB 3.5Å; L144-L148 PolarHBondContact O-N 2.89Å; L148-I150 PolarHBondContact O-N 2.91Å; L148-S151 PolarHBondContact O-N 3.06Å; L148-W152 HydrophobicContact CD1-CZ2 4.47Å; L148-W152 HydrophobicContact CD2-CD2 3.67Å; L148-W152 HydrophobicContact CD2-CE3 3.94Å; L148-W152 HydrophobicContact CD2-CG 3.96Å; L148-W152 HydrophobicContact CD2-CZ2 4.48Å; L148-W152 HydrophobicContact CD2-CZ3 4.43Å; L148-W152 HydrophobicContact CG-CD2 4.2Å; L148-W152 HydrophobicContact CG-CG 4.35Å; L148-W152 WeakPolarHBondContact O-CB 3.48Å; L148-W152 PolarHBondContact O-N 3.27Å |
| 149 | F | 97.9 | Very high | 91.8 | Very high | 52 Ų | 52 | 25.9 Ų | 25.9 | 23% | 0.228 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -54.4 | -52.1 | 176 | 175.8 | -103.1 | 0 | 0 | 0 | 111.8 | I121 V125 P145 W146 M147 T153 L188 | I121-F149 HydrophobicContact CG2-CD2 3.92Å; I121-F149 HydrophobicContact CG2-CE2 4.48Å; V125-F149 HydrophobicContact CG1-CB 4.48Å; V125-F149 HydrophobicContact CG2-CB 3.81Å; V125-F149 HydrophobicContact CG2-CD2 4.43Å; P145-F149 VanDerWaalsContact O-CB 3.3Å; P145-F149 WeakPolarHBondContact O-CB 3.48Å; P145-F149 PolarHBondContact O-N 3.47Å; W146-F149 WeakPolarHBondContact O-CB 3.35Å; W146-F149 PolarHBondContact O-N 3.21Å; M147-F149 VanDerWaalsContact C-N 3.33Å; M147-F149 PolarHBondContact O-N 3.22Å; F149-T153 WeakPolarHBondContact O-CB 3.46Å; F149-T153 PolarHBondContact O-N 3.5Å; F149-T153 PolarHBondContact O-OG1 2.95Å; F149-L188 HydrophobicContact CE1-CD1 4.16Å |
| 150 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.4 | -41 | -176.7 | -160.1 | 159.3 | 0 | 0 | 0 | 112.2 | W65 V68 W146 M147 L148 S154 L188 P189 C192 | W65-I150 HydrophobicContact CE3-CG2 3.78Å; W65-I150 HydrophobicContact CZ3-CG2 4.42Å; V68-I150 HydrophobicContact CG2-CD1 3.6Å; W146-I150 PolarHBondContact O-N 2.92Å; M147-I150 VanDerWaalsContact O-CG2 3.31Å; M147-I150 WeakPolarHBondContact O-CG2 3.45Å; M147-I150 PolarHBondContact O-N 2.74Å; L148-I150 PolarHBondContact O-N 2.91Å; I150-S154 VanDerWaalsContact O-CB 3.25Å; I150-S154 WeakPolarHBondContact O-CB 3.47Å; I150-S154 PolarHBondContact O-N 3.23Å; I150-S154 PolarHBondContact O-OG 2.86Å; I150-L188 HydrophobicContact CD1-CG 4.29Å; I150-L188 HydrophobicContact CG1-CD2 3.81Å; I150-L188 HydrophobicContact CG1-CG 3.95Å; I150-P189 HydrophobicContact CD1-CB 4.15Å; I150-P189 HydrophobicContact CD1-CG 4.13Å; I150-C192 HydrophobicContact CD1-CB 4.16Å |
| 151 | S | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63 | -48.7 | 179.7 | -68.8 | 0 | 0 | 0 | 0 | 111.4 | A83 M147 L148 S154 H155 | A83-S151 WeakPolarHBondContact CA-OG 3.21Å; A83-S151 WeakPolarHBondContact O-CB 3.37Å; A83-S151 PolarHBondContact O-OG 3.39Å; M147-S151 VanDerWaalsContact O-CB 3.3Å; M147-S151 WeakPolarHBondContact O-CB 3.48Å; M147-S151 PolarHBondContact O-N 3.31Å; M147-S151 PolarHBondContact O-OG 3.04Å; M147-S151 VanDerWaalsContact O-OG 3.06Å; L148-S151 PolarHBondContact O-N 3.06Å; S151-S154 PolarHBondContact O-OG 3.35Å; S151-H155 WeakPolarHBondContact O-CB 3.39Å; S151-H155 PolarHBondContact O-N 2.75Å |
| 152 | W | 98.6 | Very high | 95.8 | Very high | 23 Ų | 23 | 20.2 Ų | 20.2 | 9% | 0.087 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -75.4 | -38 | -178.3 | -69 | 20.2 | 0 | 0 | 0 | 112.2 | L86 I90 L115 V120 I121 V124 L148 H155 H156 | L86-W152 VanDerWaalsContact O-CD1 3.27Å; L86-W152 PolarHBondContact O-NE1 3.05Å; L86-W152 VanDerWaalsContact O-NE1 3.14Å; I90-W152 HydrophobicContact CD1-CB 3.76Å; I90-W152 VanDerWaalsContact CD1-CD1 3.41Å; I90-W152 HydrophobicContact CD1-CD2 3.86Å; I90-W152 HydrophobicContact CD1-CG 3.42Å; I90-W152 VanDerWaalsContact CD1-CG 3.42Å; I90-W152 HydrophobicContact CG1-CD2 4.2Å; I90-W152 HydrophobicContact CG1-CG 4.16Å; L115-W152 HydrophobicContact CD2-CH2 4.19Å; V120-W152 HydrophobicContact CG1-CZ3 4.04Å; I121-W152 HydrophobicContact CD1-CB 4.1Å; I121-W152 HydrophobicContact CG1-CB 3.9Å; I121-W152 HydrophobicContact CG1-CE3 4.13Å; I121-W152 HydrophobicContact CG2-CB 4.41Å; V124-W152 HydrophobicContact CB-CZ3 4.36Å; V124-W152 HydrophobicContact CG1-CH2 4.43Å; V124-W152 HydrophobicContact CG1-CZ3 4.47Å; V124-W152 HydrophobicContact CG2-CH2 4.37Å; V124-W152 HydrophobicContact CG2-CZ3 4.07Å; L148-W152 HydrophobicContact CD1-CZ2 4.47Å; L148-W152 HydrophobicContact CD2-CD2 3.67Å; L148-W152 HydrophobicContact CD2-CE3 3.94Å; L148-W152 HydrophobicContact CD2-CG 3.96Å; L148-W152 HydrophobicContact CD2-CZ2 4.48Å; L148-W152 HydrophobicContact CD2-CZ3 4.43Å; L148-W152 HydrophobicContact CG-CD2 4.2Å; L148-W152 HydrophobicContact CG-CG 4.35Å; L148-W152 WeakPolarHBondContact O-CB 3.48Å; L148-W152 PolarHBondContact O-N 3.27Å; W152-H155 WeakPolarHBondContact O-CB 3.14Å; W152-H155 PolarHBondContact O-N 3.16Å; W152-H156 PolarHBondContact O-CD2 3.34Å; W152-H156 PolarHBondContact O-N 3.35Å |
| 153 | T | 98.4 | Very high | 96.3 | Very high | 23 Ų | 23 | 24.5 Ų | 24.5 | 14% | 0.141 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | 178.5 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | F149 H155 H156 I157 L188 | F149-T153 WeakPolarHBondContact O-CB 3.46Å; F149-T153 PolarHBondContact O-N 3.5Å; F149-T153 PolarHBondContact O-OG1 2.95Å; T153-H155 VanDerWaalsContact C-N 3.33Å; T153-H155 PolarHBondContact O-N 3.46Å; T153-H156 PolarHBondContact O-N 2.92Å; T153-I157 HydrophobicContact CG2-CD1 3.59Å; T153-I157 HydrophobicContact CG2-CG1 4.2Å; T153-I157 WeakPolarHBondContact O-CD1 3.38Å; T153-I157 WeakPolarHBondContact O-CG1 3.29Å; T153-I157 PolarHBondContact O-N 2.89Å; T153-L188 HydrophobicContact CG2-CD1 4.1Å; T153-L188 HydrophobicContact CG2-CD2 4.03Å |
| 154 | S | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 177.1 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | I150 S151 I157 R158 | I150-S154 VanDerWaalsContact O-CB 3.25Å; I150-S154 WeakPolarHBondContact O-CB 3.47Å; I150-S154 PolarHBondContact O-N 3.23Å; I150-S154 PolarHBondContact O-OG 2.86Å; S151-S154 PolarHBondContact O-OG 3.35Å; S154-I157 PolarHBondContact O-N 3.27Å; S154-R158 PolarHBondContact O-N 2.83Å; S154-R158 VanDerWaalsContact O-N 3.15Å |
| 155 | H | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.3 | -56.7 | 170.3 | -178.9 | 112.6 | 0 | 0 | 0 | 110.9 | H57 A87 I90 D91 H116 S151 W152 T153 I157 R158 D159 | H57-H155 AromaticContact CD2-CE1 3.89Å; H57-H155 AromaticContact CD2-ND1 3.96Å; H57-H155 AromaticContact CE1-ND1 3.92Å; H57-H155 AromaticContact CG-CE1 3.96Å; H57-H155 AromaticContact CG-ND1 3.57Å; H57-H155 AromaticContact ND1-CG 3.76Å; H57-H155 AromaticContact ND1-ND1 3.57Å; H57-H155 AromaticContact NE2-CE1 3.99Å; A87-H155 PolarHBondContact O-ND1 3Å; I90-H155 HydrophobicContact CD1-CB 3.91Å; D91-H155 IonicContact OD1-CE1 2.99Å; D91-H155 PolarHBondContact OD1-CE1 3.38Å; D91-H155 IonicContact OD1-NE2 3.82Å; D91-H155 IonicContact OD2-CE1 3.97Å; H116-H155 AromaticContact CD2-NE2 3.63Å; H116-H155 AromaticContact NE2-NE2 3.22Å; H116-H155 PolarHBondContact NE2-NE2 2.83Å; S151-H155 WeakPolarHBondContact O-CB 3.39Å; S151-H155 PolarHBondContact O-N 2.75Å; W152-H155 WeakPolarHBondContact O-CB 3.14Å; W152-H155 PolarHBondContact O-N 3.16Å; T153-H155 VanDerWaalsContact C-N 3.33Å; T153-H155 PolarHBondContact O-N 3.46Å; H155-I157 VanDerWaalsContact C-N 3.34Å; H155-I157 PolarHBondContact O-N 3.41Å; H155-R158 PolarHBondContact O-N 2.89Å; H155-D159 WeakPolarHBondContact O-CB 3.44Å; H155-D159 PolarHBondContact O-N 2.9Å |
| 156 | H | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.8 | -34.8 | -176.7 | -77.1 | -139.1 | 0 | 0 | 0 | 113.5 | L115 H116 S118 I121 W152 T153 G160 L165 | L115-H156 PolarHBondContact O-CE1 3.35Å; L115-H156 PolarHBondContact O-NE2 2.95Å; H116-H156 VanDerWaalsContact C-CE1 3.46Å; S118-H156 WeakPolarHBondContact CA-ND1 3.32Å; S118-H156 PolarHBondContact OG-ND1 2.6Å; I121-H156 HydrophobicContact CD1-CB 4.23Å; W152-H156 PolarHBondContact O-CD2 3.34Å; W152-H156 PolarHBondContact O-N 3.35Å; T153-H156 PolarHBondContact O-N 2.92Å; H156-G160 WeakPolarHBondContact O-CA 3.22Å; H156-G160 PolarHBondContact O-N 2.76Å; H156-L165 HydrophobicContact CB-CD2 4.22Å; H156-L165 VanDerWaalsContact O-CD2 3.32Å; H156-L165 WeakPolarHBondContact O-CD2 3.2Å |
| 157 | I | 98.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 5% | 0.046 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.1 | -48.1 | 177.6 | -66.6 | 156.6 | 0 | 0 | 0 | 109.9 | T153 S154 H155 D159 G160 L176 Y181 I184 L188 | T153-I157 HydrophobicContact CG2-CD1 3.59Å; T153-I157 HydrophobicContact CG2-CG1 4.2Å; T153-I157 WeakPolarHBondContact O-CD1 3.38Å; T153-I157 WeakPolarHBondContact O-CG1 3.29Å; T153-I157 PolarHBondContact O-N 2.89Å; S154-I157 PolarHBondContact O-N 3.27Å; H155-I157 VanDerWaalsContact C-N 3.34Å; H155-I157 PolarHBondContact O-N 3.41Å; I157-D159 VanDerWaalsContact C-N 3.33Å; I157-D159 PolarHBondContact O-N 3.36Å; I157-G160 PolarHBondContact O-N 3.44Å; I157-L176 HydrophobicContact CG2-CD1 4.17Å; I157-L176 WeakPolarHBondContact O-CD1 3.47Å; I157-Y181 HydrophobicContact CG2-CD2 4.01Å; I157-I184 HydrophobicContact CD1-CB 4.37Å; I157-I184 HydrophobicContact CD1-CG2 3.34Å; I157-I184 HydrophobicContact CG1-CG2 4.06Å; I157-I184 HydrophobicContact CG2-CB 4.16Å; I157-I184 HydrophobicContact CG2-CG2 4.21Å; I157-L188 HydrophobicContact CD1-CD2 4.12Å |
| 158 | R | 98 | Very high | 97.1 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 4% | 0.038 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 177.7 | 178.8 | 171.4 | 178.4 | -85.7 | -7.3 | 111 | D34 D53 V56 H57 S154 H155 G160 I161 Y181 | D34-R158 IonicContact OD1-CZ 3.44Å; D34-R158 IonicContact OD1-NE 3.82Å; D34-R158 PolarHBondContact OD1-NE 2.79Å; D34-R158 IonicContact OD1-NH2 3.98Å; D34-R158 PolarHBondContact OD1-NH2 3.23Å; D53-R158 PolarHBondContact O-NH1 3.3Å; D53-R158 IonicContact OD1-CZ 3.85Å; D53-R158 IonicContact OD1-NH1 3.74Å; D53-R158 PolarHBondContact OD1-NH1 3.17Å; D53-R158 IonicContact OD1-NH2 2.71Å; D53-R158 PolarHBondContact OD1-NH2 3.28Å; D53-R158 IonicContact OD2-NH1 2.8Å; V56-R158 VanDerWaalsContact CG1-NE 3.28Å; H57-R158 PolarHBondContact CD2-NH1 3.17Å; H57-R158 PolarHBondContact CE1-NH1 2.87Å; H57-R158 PolarHBondContact NE2-NH1 3.32Å; S154-R158 PolarHBondContact O-N 2.83Å; S154-R158 VanDerWaalsContact O-N 3.15Å; H155-R158 PolarHBondContact O-N 2.89Å; R158-G160 PolarHBondContact O-N 3.29Å; R158-I161 HydrophobicContact CG-CD1 4.39Å; R158-I161 WeakPolarHBondContact O-CB 3.47Å; R158-I161 WeakPolarHBondContact O-CD1 3.49Å; R158-I161 WeakPolarHBondContact O-CG1 3.41Å; R158-I161 PolarHBondContact O-N 2.85Å; R158-I161 VanDerWaalsContact O-N 3.14Å; R158-Y181 HydrophobicContact CB-CD2 4.18Å; R158-Y181 HydrophobicContact CB-CE2 3.74Å; R158-Y181 HydrophobicContact CG-CE2 3.97Å |
| 159 | D | 97.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.3 | -26.3 | 179.3 | -129.9 | 27.6 | 0 | 0 | 0 | 113 | H57 R112 H116 H155 I157 I161 R162 H163 | H57-D159 IonicContact NE2-OD1 3.01Å; R112-D159 IonicContact NH2-OD2 3.97Å; H116-D159 IonicContact CD2-OD2 3.95Å; H116-D159 PolarHBondContact CD2-OD2 3.2Å; H116-D159 IonicContact NE2-OD2 3.88Å; H155-D159 WeakPolarHBondContact O-CB 3.44Å; H155-D159 PolarHBondContact O-N 2.9Å; I157-D159 VanDerWaalsContact C-N 3.33Å; I157-D159 PolarHBondContact O-N 3.36Å; D159-I161 PolarHBondContact O-N 3.45Å; D159-I161 VanDerWaalsContact O-N 3.17Å; D159-R162 PolarHBondContact O-N 2.87Å; D159-R162 VanDerWaalsContact O-N 3.13Å; D159-R162 IonicContact OD1-CZ 2.94Å; D159-R162 IonicContact OD1-NE 3.44Å; D159-R162 IonicContact OD1-NH2 3.62Å; D159-R162 PolarHBondContact OD1-NH2 3.41Å; D159-H163 PolarHBondContact O-N 2.69Å |
| 160 | G | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.7 | -20.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | H156 I157 R158 R162 G164 P175 L176 | H156-G160 WeakPolarHBondContact O-CA 3.22Å; H156-G160 PolarHBondContact O-N 2.76Å; I157-G160 PolarHBondContact O-N 3.44Å; R158-G160 PolarHBondContact O-N 3.29Å; G160-R162 PolarHBondContact O-N 3.4Å; G160-G164 VanDerWaalsContact O-CA 3.29Å; G160-G164 WeakPolarHBondContact O-CA 3.28Å; G160-G164 PolarHBondContact O-N 3.44Å; G160-P175 CarbonylContact O-C 3.6Å; G160-P175 WeakPolarHBondContact O-CA 3.48Å; G160-L176 PolarHBondContact O-N 2.87Å |
| 161 | I | 96.8 | Very high | 96.5 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -35.4 | 174.7 | -58.8 | 162.3 | 0 | 0 | 0 | 111.2 | R158 D159 P175 F178 Y181 | R158-I161 HydrophobicContact CG-CD1 4.39Å; R158-I161 WeakPolarHBondContact O-CB 3.47Å; R158-I161 WeakPolarHBondContact O-CD1 3.49Å; R158-I161 WeakPolarHBondContact O-CG1 3.41Å; R158-I161 PolarHBondContact O-N 2.85Å; R158-I161 VanDerWaalsContact O-N 3.14Å; D159-I161 PolarHBondContact O-N 3.45Å; D159-I161 VanDerWaalsContact O-N 3.17Å; I161-P175 WeakPolarHBondContact O-CB 3.34Å; I161-F178 HydrophobicContact CD1-CD2 4.07Å; I161-F178 HydrophobicContact CD1-CE2 4.36Å; I161-Y181 HydrophobicContact CD1-CD1 3.3Å; I161-Y181 HydrophobicContact CD1-CD2 4.16Å; I161-Y181 HydrophobicContact CD1-CE1 3.6Å; I161-Y181 HydrophobicContact CD1-CE2 4.43Å; I161-Y181 HydrophobicContact CD1-CG 3.57Å; I161-Y181 HydrophobicContact CG1-CD1 4.02Å; I161-Y181 HydrophobicContact CG1-CG 3.93Å |
| 162 | R | 93.6 | Very high | 96.2 | Very high | 123 Ų | 123 | 49.9 Ų | 49.9 | 46% | 0.464 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -92.5 | -41.7 | -177.7 | -64.7 | -175.9 | -71.2 | -144.7 | 0.2 | 112.3 | D53 D159 G160 | D53-R162 IonicContact OD1-NH1 3.4Å; D53-R162 IonicContact OD1-NH2 3.19Å; D53-R162 IonicContact OD2-CZ 3.21Å; D53-R162 IonicContact OD2-NH1 3.05Å; D53-R162 PolarHBondContact OD2-NH1 3.4Å; D53-R162 IonicContact OD2-NH2 3.36Å; D53-R162 PolarHBondContact OD2-NH2 3.44Å; D159-R162 PolarHBondContact O-N 2.87Å; D159-R162 VanDerWaalsContact O-N 3.13Å; D159-R162 IonicContact OD1-CZ 2.94Å; D159-R162 IonicContact OD1-NE 3.44Å; D159-R162 IonicContact OD1-NH2 3.62Å; D159-R162 PolarHBondContact OD1-NH2 3.41Å; G160-R162 PolarHBondContact O-N 3.4Å |
| 163 | H | 92.2 | Very high | 96.1 | Very high | 110 Ų | 110 | 51.2 Ų | 51.2 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -122.2 | -3.1 | -165 | -60 | -57.6 | 0 | 0 | 0 | 114.9 | D159 | D159-H163 PolarHBondContact O-N 2.69Å |
| 164 | G | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | 67.1 | 177.6 | -168 | 0 | 0 | 0 | 0 | 0 | 112.8 | R112 G160 S174 | R112-G164 PolarHBondContact NH1-O 3.41Å; G160-G164 VanDerWaalsContact O-CA 3.29Å; G160-G164 WeakPolarHBondContact O-CA 3.28Å; G160-G164 PolarHBondContact O-N 3.44Å; G164-S174 WeakPolarHBondContact CA-O 3.25Å | ||
| 165 | L | 97.4 | Very high | 96 | Very high | 41 Ų | 41 | 58 Ų | 58 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | trans | -86.9 | 137.1 | 175 | -59.1 | 179.1 | 0 | 0 | 0 | 109.6 | H156 I167 K172 T173 L176 | H156-L165 HydrophobicContact CB-CD2 4.22Å; H156-L165 VanDerWaalsContact O-CD2 3.32Å; H156-L165 WeakPolarHBondContact O-CD2 3.2Å; L165-I167 HydrophobicContact CB-CG1 4.39Å; L165-K172 CarbonylContact O-C 3.56Å; L165-K172 WeakPolarHBondContact O-CA 3.26Å; L165-T173 HydrophobicContact CB-CG2 4.12Å; L165-T173 PolarHBondContact N-OG1 3.21Å; L165-T173 PolarHBondContact O-N 3.11Å; L165-L176 HydrophobicContact CD2-CD1 4.38Å; L165-L176 HydrophobicContact CG-CD1 4.33Å | ||
| 166 | W | 97.1 | Very high | 95.9 | Very high | 64 Ų | 64 | 59 Ų | 59 | 24% | 0.242 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 103.1 | 176.1 | 178.8 | 18.9 | 0 | 0 | 0 | 110.1 | R112 P113 C117 S118 K172 | R112-W166 HydrophobicContact CB-CE3 4.18Å; R112-W166 HydrophobicContact CB-CZ3 4.2Å; R112-W166 HydrophobicContact CG-CE3 4.19Å; R112-W166 HydrophobicContact CG-CZ3 4.48Å; P113-W166 WeakPolarHBondContact O-CZ3 3.21Å; C117-W166 CarbonylContact C-O 3.35Å; C117-W166 HydrophobicContact CB-CD2 3.83Å; C117-W166 HydrophobicContact CB-CE3 3.52Å; C117-W166 HydrophobicContact CB-CG 4.43Å; C117-W166 HydrophobicContact CB-CH2 4.39Å; C117-W166 HydrophobicContact CB-CZ3 3.83Å; C117-W166 PolarHBondContact SG-O 3.1Å; S118-W166 WeakPolarHBondContact CB-O 3.42Å; S118-W166 PolarHBondContact N-O 2.79Å; W166-K172 HydrophobicContact CB-CG 4.25Å; W166-K172 HydrophobicContact CG-CG 4.27Å |
| 167 | I | 96.1 | Very high | 95.9 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 35% | 0.349 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 90.8 | -177.3 | -47.8 | 178.5 | 0 | 0 | 0 | 108.2 | T119 L165 F170 G171 T173 | T119-I167 WeakPolarHBondContact OG1-CA 3.38Å; L165-I167 HydrophobicContact CB-CG1 4.39Å; I167-F170 HydrophobicContact CG2-CD2 3.94Å; I167-F170 CarbonylContact O-C 3.55Å; I167-F170 VanDerWaalsContact O-CA 3.28Å; I167-F170 WeakPolarHBondContact O-CA 3.3Å; I167-F170 WeakPolarHBondContact O-CB 3.36Å; I167-F170 PolarHBondContact O-N 3Å; I167-G171 CarbonylContact C-O 3.26Å; I167-G171 PolarHBondContact N-O 3.14Å; I167-G171 PolarHBondContact O-N 3.43Å; I167-T173 HydrophobicContact CD1-CG2 3.91Å; I167-T173 HydrophobicContact CG1-CG2 4.44Å |
| 168 | C | 93.5 | Very high | 95.8 | Very high | 60 Ų | 60 | 64.6 Ų | 64.6 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 139.7 | 173.6 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | T119 | T119-C168 WeakPolarHBondContact CG2-O 3.47Å; T119-C168 PolarHBondContact OG1-N 2.85Å; T119-C168 PolarHBondContact OG1-O 2.93Å |
| 169 | P | 93.9 | Very high | 95.7 | Very high | 109 Ų | 109 | 72 Ų | 72 | 71% | 0.708 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.9 | 4.2 | -2.8 | 35.9 | -36.1 | 0 | 0 | 0 | 114.6 | G171 | P169-G171 VanDerWaalsContact C-N 3.29Å; P169-G171 PolarHBondContact O-N 3.3Å |
| 170 | F | 93.8 | Very high | 95.7 | Very high | 182 Ų | 182 | 73.9 Ų | 73.9 | 80% | 0.798 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9 | -173.9 | -53.3 | -74.8 | 0 | 0 | 0 | 115.6 | I167 | I167-F170 HydrophobicContact CG2-CD2 3.94Å; I167-F170 CarbonylContact O-C 3.55Å; I167-F170 VanDerWaalsContact O-CA 3.28Å; I167-F170 WeakPolarHBondContact O-CA 3.3Å; I167-F170 WeakPolarHBondContact O-CB 3.36Å; I167-F170 PolarHBondContact O-N 3Å |
| 171 | G | 93 | Very high | 95.7 | Very high | 30 Ų | 30 | 73.9 Ų | 73.9 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.8 | -152.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I167 P169 | I167-G171 CarbonylContact C-O 3.26Å; I167-G171 PolarHBondContact N-O 3.14Å; I167-G171 PolarHBondContact O-N 3.43Å; P169-G171 VanDerWaalsContact C-N 3.29Å; P169-G171 PolarHBondContact O-N 3.3Å |
| 172 | K | 93.8 | Very high | 95.8 | Very high | 137 Ų | 137 | 72.6 Ų | 72.6 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.4 | -178.8 | -62.1 | 178.7 | -174.4 | 174.5 | 0 | 110.2 | L165 W166 | L165-K172 CarbonylContact O-C 3.56Å; L165-K172 WeakPolarHBondContact O-CA 3.26Å; W166-K172 HydrophobicContact CB-CG 4.25Å; W166-K172 HydrophobicContact CG-CG 4.27Å |
| 173 | T | 96.1 | Very high | 96 | Very high | 52 Ų | 52 | 71.2 Ų | 71.2 | 32% | 0.319 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 168.4 | 168.6 | 72.5 | 0 | 0 | 0 | 0 | 110.4 | L165 I167 | L165-T173 HydrophobicContact CB-CG2 4.12Å; L165-T173 PolarHBondContact N-OG1 3.21Å; L165-T173 PolarHBondContact O-N 3.11Å; I167-T173 HydrophobicContact CD1-CG2 3.91Å; I167-T173 HydrophobicContact CG1-CG2 4.44Å |
| 174 | S | 96.4 | Very high | 96.3 | Very high | 92 Ų | 92 | 68.4 Ų | 68.4 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 157 | 162.4 | 51.6 | 0 | 0 | 0 | 0 | 110.9 | G164 L176 | G164-S174 WeakPolarHBondContact CA-O 3.25Å; S174-L176 PolarHBondContact O-N 2.71Å |
| 175 | P | 97.6 | Very high | 96.3 | Very high | 74 Ų | 74 | 68.4 Ų | 68.4 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 138 | 170.7 | -24.8 | 34.4 | 0 | 0 | 0 | 111.6 | G160 I161 | G160-P175 CarbonylContact O-C 3.6Å; G160-P175 WeakPolarHBondContact O-CA 3.48Å; I161-P175 WeakPolarHBondContact O-CB 3.34Å |
| 176 | L | 96.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 67.7 Ų | 67.7 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 131.6 | -178 | -65.6 | 177.2 | 0 | 0 | 0 | 110 | I157 G160 L165 S174 F178 L180 | I157-L176 HydrophobicContact CG2-CD1 4.17Å; I157-L176 WeakPolarHBondContact O-CD1 3.47Å; G160-L176 PolarHBondContact O-N 2.87Å; L165-L176 HydrophobicContact CD2-CD1 4.38Å; L165-L176 HydrophobicContact CG-CD1 4.33Å; S174-L176 PolarHBondContact O-N 2.71Å; L176-F178 PolarHBondContact O-N 2.9Å; L176-L180 HydrophobicContact CD2-CD2 4.15Å |
| 177 | P | 97.3 | Very high | 96.3 | Very high | 59 Ų | 59 | 66.4 Ų | 66.4 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 139.1 | 167.6 | -23.6 | 33.5 | 0 | 0 | 0 | 110.5 | W179 L180 Y181 | P177-W179 VanDerWaalsContact C-N 3.3Å; P177-W179 HydrophobicContact CB-CG 4.41Å; P177-W179 VanDerWaalsContact CB-NE1 3.33Å; P177-W179 PolarHBondContact O-N 3.12Å; P177-L180 HydrophobicContact CB-CB 4.24Å; P177-L180 WeakPolarHBondContact O-CB 3.2Å; P177-L180 PolarHBondContact O-N 3.38Å; P177-Y181 PolarHBondContact O-N 3.04Å; P177-Y181 VanDerWaalsContact O-N 3.14Å |
| 178 | F | 96.8 | Very high | 96.4 | Very high | 69 Ų | 69 | 63.7 Ų | 63.7 | 30% | 0.303 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.5 | -42.9 | -175.2 | -174.8 | -106.6 | 0 | 0 | 0 | 113 | L31 D34 I161 L176 L180 Y181 V182 | L31-F178 HydrophobicContact CD2-CD1 4.3Å; L31-F178 HydrophobicContact CD2-CE1 3.37Å; L31-F178 HydrophobicContact CD2-CZ 3.99Å; D34-F178 HydrophobicContact CB-CE2 3.93Å; D34-F178 HydrophobicContact CB-CZ 4.19Å; I161-F178 HydrophobicContact CD1-CD2 4.07Å; I161-F178 HydrophobicContact CD1-CE2 4.36Å; L176-F178 PolarHBondContact O-N 2.9Å; F178-L180 VanDerWaalsContact C-N 3.25Å; F178-L180 PolarHBondContact O-N 3.26Å; F178-Y181 AromaticContact CD2-CD1 3.86Å; F178-Y181 HydrophobicContact CD2-CD1 3.86Å; F178-Y181 HydrophobicContact CD2-CE1 4.11Å; F178-Y181 AromaticContact CE2-CD1 3.88Å; F178-Y181 HydrophobicContact CE2-CD1 3.88Å; F178-Y181 AromaticContact CE2-CE1 3.65Å; F178-Y181 HydrophobicContact CE2-CE1 3.65Å; F178-Y181 HydrophobicContact CZ-CE1 4.21Å; F178-Y181 WeakPolarHBondContact O-CB 3.4Å; F178-Y181 WeakPolarHBondContact O-CD1 3.47Å; F178-Y181 PolarHBondContact O-N 3.12Å; F178-V182 HydrophobicContact CD1-CG2 4.49Å; F178-V182 HydrophobicContact CE1-CG2 4.22Å; F178-V182 HydrophobicContact CZ-CG2 4.35Å; F178-V182 WeakPolarHBondContact O-CG2 2.91Å; F178-V182 PolarHBondContact O-N 3.18Å |
| 179 | W | 97.2 | Very high | 96.5 | Very high | 164 Ų | 164 | 60.9 Ų | 60.9 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.1 | -36.5 | 176.6 | 66.3 | -97.6 | 0 | 0 | 0 | 112.3 | P177 V182 I183 | P177-W179 VanDerWaalsContact C-N 3.3Å; P177-W179 HydrophobicContact CB-CG 4.41Å; P177-W179 VanDerWaalsContact CB-NE1 3.33Å; P177-W179 PolarHBondContact O-N 3.12Å; W179-V182 PolarHBondContact O-N 2.97Å; W179-I183 HydrophobicContact CE3-CD1 3.72Å; W179-I183 HydrophobicContact CZ3-CD1 4.05Å; W179-I183 WeakPolarHBondContact O-CG1 3.48Å; W179-I183 PolarHBondContact O-N 2.92Å |
| 180 | L | 97.2 | Very high | 96.5 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | -179 | -179.1 | 60.8 | 0 | 0 | 0 | 110.3 | L176 P177 F178 V182 I183 I184 | L176-L180 HydrophobicContact CD2-CD2 4.15Å; P177-L180 HydrophobicContact CB-CB 4.24Å; P177-L180 WeakPolarHBondContact O-CB 3.2Å; P177-L180 PolarHBondContact O-N 3.38Å; F178-L180 VanDerWaalsContact C-N 3.25Å; F178-L180 PolarHBondContact O-N 3.26Å; L180-V182 VanDerWaalsContact C-N 3.34Å; L180-V182 PolarHBondContact O-N 3.37Å; L180-I183 PolarHBondContact O-N 2.71Å; L180-I184 HydrophobicContact CD1-CD1 3.78Å; L180-I184 HydrophobicContact CD1-CG1 3.97Å; L180-I184 HydrophobicContact CD2-CD1 4.36Å; L180-I184 HydrophobicContact CG-CD1 3.68Å; L180-I184 HydrophobicContact CG-CG1 4.28Å; L180-I184 WeakPolarHBondContact O-CB 3.39Å; L180-I184 WeakPolarHBondContact O-CG1 3.45Å; L180-I184 PolarHBondContact O-N 2.98Å |
| 181 | Y | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.2 | -47.8 | 172.4 | 138.4 | -111.3 | 0 | 0 | 0 | 112 | C30 D34 I157 R158 I161 P177 F178 I184 T185 | C30-Y181 HydrophobicContact CB-CE1 3.97Å; C30-Y181 HydrophobicContact CB-CE2 4.44Å; C30-Y181 WeakPolarHBondContact CB-OH 3.25Å; C30-Y181 PolarHBondContact SG-OH 3.41Å; C30-Y181 VanDerWaalsContact SG-OH 3.4Å; D34-Y181 WeakPolarHBondContact OD2-CE1 3.37Å; D34-Y181 VanDerWaalsContact OD2-CZ 3.27Å; D34-Y181 PolarHBondContact OD2-OH 3.47Å; I157-Y181 HydrophobicContact CG2-CD2 4.01Å; R158-Y181 HydrophobicContact CB-CD2 4.18Å; R158-Y181 HydrophobicContact CB-CE2 3.74Å; R158-Y181 HydrophobicContact CG-CE2 3.97Å; I161-Y181 HydrophobicContact CD1-CD1 3.3Å; I161-Y181 HydrophobicContact CD1-CD2 4.16Å; I161-Y181 HydrophobicContact CD1-CE1 3.6Å; I161-Y181 HydrophobicContact CD1-CE2 4.43Å; I161-Y181 HydrophobicContact CD1-CG 3.57Å; I161-Y181 HydrophobicContact CG1-CD1 4.02Å; I161-Y181 HydrophobicContact CG1-CG 3.93Å; P177-Y181 PolarHBondContact O-N 3.04Å; P177-Y181 VanDerWaalsContact O-N 3.14Å; F178-Y181 AromaticContact CD2-CD1 3.86Å; F178-Y181 HydrophobicContact CD2-CD1 3.86Å; F178-Y181 HydrophobicContact CD2-CE1 4.11Å; F178-Y181 AromaticContact CE2-CD1 3.88Å; F178-Y181 HydrophobicContact CE2-CD1 3.88Å; F178-Y181 AromaticContact CE2-CE1 3.65Å; F178-Y181 HydrophobicContact CE2-CE1 3.65Å; F178-Y181 HydrophobicContact CZ-CE1 4.21Å; F178-Y181 WeakPolarHBondContact O-CB 3.4Å; F178-Y181 WeakPolarHBondContact O-CD1 3.47Å; F178-Y181 PolarHBondContact O-N 3.12Å; Y181-I184 PolarHBondContact O-N 3Å; Y181-T185 VanDerWaalsContact CD2-OG1 3.25Å; Y181-T185 WeakPolarHBondContact CD2-OG1 3.26Å; Y181-T185 WeakPolarHBondContact CE2-OG1 3.37Å; Y181-T185 VanDerWaalsContact O-CB 3.29Å; Y181-T185 WeakPolarHBondContact O-CB 3.48Å; Y181-T185 PolarHBondContact O-N 3.44Å; Y181-T185 PolarHBondContact O-OG1 3.25Å |
| 182 | V | 98.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.9 | -42.6 | -177.7 | 177 | 0 | 0 | 0 | 0 | 111 | C30 L31 F178 W179 L180 S186 | C30-V182 HydrophobicContact CB-CG2 4.25Å; L31-V182 HydrophobicContact CD2-CG1 4.46Å; L31-V182 HydrophobicContact CD2-CG2 3.83Å; F178-V182 HydrophobicContact CD1-CG2 4.49Å; F178-V182 HydrophobicContact CE1-CG2 4.22Å; F178-V182 HydrophobicContact CZ-CG2 4.35Å; F178-V182 WeakPolarHBondContact O-CG2 2.91Å; F178-V182 PolarHBondContact O-N 3.18Å; W179-V182 PolarHBondContact O-N 2.97Å; L180-V182 VanDerWaalsContact C-N 3.34Å; L180-V182 PolarHBondContact O-N 3.37Å; V182-S186 WeakPolarHBondContact O-CB 3.48Å; V182-S186 PolarHBondContact O-N 3.42Å; V182-S186 PolarHBondContact O-OG 3.05Å |
| 183 | I | 97.9 | Very high | 96.3 | Very high | 93 Ų | 93 | 44.9 Ų | 44.9 | 48% | 0.477 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.2 | -46.5 | 177.3 | -68.6 | 178.5 | 0 | 0 | 0 | 110.9 | W179 L180 S186 S187 | W179-I183 HydrophobicContact CE3-CD1 3.72Å; W179-I183 HydrophobicContact CZ3-CD1 4.05Å; W179-I183 WeakPolarHBondContact O-CG1 3.48Å; W179-I183 PolarHBondContact O-N 2.92Å; L180-I183 PolarHBondContact O-N 2.71Å; I183-S186 PolarHBondContact O-OG 3.38Å; I183-S186 VanDerWaalsContact O-OG 3.12Å; I183-S187 WeakPolarHBondContact O-CB 3.25Å; I183-S187 PolarHBondContact O-N 3.4Å; I183-S187 PolarHBondContact O-OG 2.97Å |
| 184 | I | 97.8 | Very high | 95.9 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 179.5 | -62.8 | 169.7 | 0 | 0 | 0 | 109.6 | I157 L180 Y181 S186 S187 L188 | I157-I184 HydrophobicContact CD1-CB 4.37Å; I157-I184 HydrophobicContact CD1-CG2 3.34Å; I157-I184 HydrophobicContact CG1-CG2 4.06Å; I157-I184 HydrophobicContact CG2-CB 4.16Å; I157-I184 HydrophobicContact CG2-CG2 4.21Å; L180-I184 HydrophobicContact CD1-CD1 3.78Å; L180-I184 HydrophobicContact CD1-CG1 3.97Å; L180-I184 HydrophobicContact CD2-CD1 4.36Å; L180-I184 HydrophobicContact CG-CD1 3.68Å; L180-I184 HydrophobicContact CG-CG1 4.28Å; L180-I184 WeakPolarHBondContact O-CB 3.39Å; L180-I184 WeakPolarHBondContact O-CG1 3.45Å; L180-I184 PolarHBondContact O-N 2.98Å; Y181-I184 PolarHBondContact O-N 3Å; I184-S186 PolarHBondContact O-N 3.11Å; I184-S187 PolarHBondContact O-N 3.19Å; I184-S187 PolarHBondContact O-OG 3.23Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 PolarHBondContact O-N 3.14Å |
| 185 | T | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | -178.1 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | L26 I60 Y181 P189 | L26-T185 HydrophobicContact CD2-CG2 4.33Å; L26-T185 HydrophobicContact CG-CG2 4.43Å; I60-T185 HydrophobicContact CG2-CG2 3.67Å; Y181-T185 VanDerWaalsContact CD2-OG1 3.25Å; Y181-T185 WeakPolarHBondContact CD2-OG1 3.26Å; Y181-T185 WeakPolarHBondContact CE2-OG1 3.37Å; Y181-T185 VanDerWaalsContact O-CB 3.29Å; Y181-T185 WeakPolarHBondContact O-CB 3.48Å; Y181-T185 PolarHBondContact O-N 3.44Å; Y181-T185 PolarHBondContact O-OG1 3.25Å; T185-P189 WeakPolarHBondContact O-CD 3.4Å |
| 186 | S | 97.4 | Very high | 95.1 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.4 | -29.8 | 178 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | S23 V182 I183 I184 | S23-S186 WeakPolarHBondContact CB-O 3.45Å; S23-S186 WeakPolarHBondContact O-CB 3.38Å; S23-S186 PolarHBondContact OG-O 3.13Å; V182-S186 WeakPolarHBondContact O-CB 3.48Å; V182-S186 PolarHBondContact O-N 3.42Å; V182-S186 PolarHBondContact O-OG 3.05Å; I183-S186 PolarHBondContact O-OG 3.38Å; I183-S186 VanDerWaalsContact O-OG 3.12Å; I184-S186 PolarHBondContact O-N 3.11Å |
| 187 | S | 96.6 | Very high | 94.5 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 26% | 0.259 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -87.7 | -22.4 | 177.9 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | I183 I184 P189 H190 I191 | I183-S187 WeakPolarHBondContact O-CB 3.25Å; I183-S187 PolarHBondContact O-N 3.4Å; I183-S187 PolarHBondContact O-OG 2.97Å; I184-S187 PolarHBondContact O-N 3.19Å; I184-S187 PolarHBondContact O-OG 3.23Å; S187-P189 VanDerWaalsContact C-CD 3.49Å; S187-H190 PolarHBondContact O-N 3.03Å; S187-H190 VanDerWaalsContact O-N 3.11Å; S187-I191 PolarHBondContact O-N 3.17Å; S187-I191 VanDerWaalsContact O-N 3.07Å |
| 188 | L | 96.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.6 | -43.3 | -176 | -179.3 | 67.3 | 0 | 0 | 0 | 114 | F149 I150 T153 I157 I184 H190 I191 C192 | F149-L188 HydrophobicContact CE1-CD1 4.16Å; I150-L188 HydrophobicContact CD1-CG 4.29Å; I150-L188 HydrophobicContact CG1-CD2 3.81Å; I150-L188 HydrophobicContact CG1-CG 3.95Å; T153-L188 HydrophobicContact CG2-CD1 4.1Å; T153-L188 HydrophobicContact CG2-CD2 4.03Å; I157-L188 HydrophobicContact CD1-CD2 4.12Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 PolarHBondContact O-N 3.14Å; L188-H190 VanDerWaalsContact C-N 3.34Å; L188-H190 PolarHBondContact O-N 2.9Å; L188-I191 PolarHBondContact O-N 3.21Å; L188-C192 VanDerWaalsContact O-CB 3.26Å; L188-C192 WeakPolarHBondContact O-CB 3.47Å; L188-C192 PolarHBondContact O-N 3.12Å |
| 189 | P | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 176.9 | -25.1 | 35.3 | 0 | 0 | 0 | 113.5 | L26 V67 V68 I150 T185 S187 C192 S193 | L26-P189 HydrophobicContact CD2-CG 4.42Å; V67-P189 HydrophobicContact CB-CB 3.74Å; V67-P189 HydrophobicContact CB-CG 4.22Å; V67-P189 HydrophobicContact CG1-CB 3.53Å; V67-P189 HydrophobicContact CG1-CG 4.29Å; V68-P189 HydrophobicContact CG2-CB 3.94Å; I150-P189 HydrophobicContact CD1-CB 4.15Å; I150-P189 HydrophobicContact CD1-CG 4.13Å; T185-P189 WeakPolarHBondContact O-CD 3.4Å; S187-P189 VanDerWaalsContact C-CD 3.49Å; P189-C192 PolarHBondContact O-N 3.37Å; P189-S193 WeakPolarHBondContact O-CB 3.29Å; P189-S193 PolarHBondContact O-N 2.88Å |
| 190 | H | 93.8 | Very high | 92.2 | Very high | 32 Ų | 32 | 37.6 Ų | 37.6 | 15% | 0.148 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.4 | -42.3 | -179.7 | -61.1 | -71.8 | 0 | 0 | 0 | 111.5 | T14 S19 S23 S187 L188 C192 S193 F194 | T14-H190 PolarHBondContact O-ND1 3.12Å; S19-H190 PolarHBondContact OG-CE1 3.29Å; S23-H190 VanDerWaalsContact CB-NE2 3.3Å; S23-H190 WeakPolarHBondContact CB-NE2 3.16Å; S23-H190 PolarHBondContact OG-CD2 3.19Å; S23-H190 PolarHBondContact OG-NE2 2.82Å; S187-H190 PolarHBondContact O-N 3.03Å; S187-H190 VanDerWaalsContact O-N 3.11Å; L188-H190 VanDerWaalsContact C-N 3.34Å; L188-H190 PolarHBondContact O-N 2.9Å; H190-C192 VanDerWaalsContact C-N 3.35Å; H190-S193 PolarHBondContact O-N 2.96Å; H190-F194 VanDerWaalsContact O-CB 3.29Å; H190-F194 WeakPolarHBondContact O-CB 3.36Å; H190-F194 PolarHBondContact O-N 3.44Å |
| 191 | I | 93.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 35.8 Ų | 35.8 | 43% | 0.431 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 174.4 | -66.2 | 164.4 | 0 | 0 | 0 | 109.8 | S187 L188 S193 F194 I195 | S187-I191 PolarHBondContact O-N 3.17Å; S187-I191 VanDerWaalsContact O-N 3.07Å; L188-I191 PolarHBondContact O-N 3.21Å; I191-S193 PolarHBondContact O-N 3.37Å; I191-F194 PolarHBondContact O-N 3.09Å; I191-I195 HydrophobicContact CG2-CD1 3.75Å; I191-I195 HydrophobicContact CG2-CG1 4.45Å; I191-I195 VanDerWaalsContact O-CG1 3.25Å; I191-I195 WeakPolarHBondContact O-CG1 3.49Å; I191-I195 PolarHBondContact O-N 2.88Å |
| 192 | C | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 111 | V68 I150 L188 P189 H190 F194 I195 M196 | V68-C192 HydrophobicContact CG2-CB 4.32Å; I150-C192 HydrophobicContact CD1-CB 4.16Å; L188-C192 VanDerWaalsContact O-CB 3.26Å; L188-C192 WeakPolarHBondContact O-CB 3.47Å; L188-C192 PolarHBondContact O-N 3.12Å; P189-C192 PolarHBondContact O-N 3.37Å; H190-C192 VanDerWaalsContact C-N 3.35Å; C192-F194 VanDerWaalsContact C-N 3.32Å; C192-F194 PolarHBondContact O-N 3.18Å; C192-I195 PolarHBondContact O-N 3.41Å; C192-M196 WeakPolarHBondContact O-CB 3.35Å; C192-M196 VanDerWaalsContact O-CG 3.26Å; C192-M196 WeakPolarHBondContact O-CG 3.5Å; C192-M196 PolarHBondContact O-N 2.67Å |
| 193 | S | 89.8 | Confident | 88.2 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -32.7 | -178.2 | -166.3 | 0 | 0 | 0 | 0 | 112.9 | P189 H190 I191 Y197 R202 | P189-S193 WeakPolarHBondContact O-CB 3.29Å; P189-S193 PolarHBondContact O-N 2.88Å; H190-S193 PolarHBondContact O-N 2.96Å; I191-S193 PolarHBondContact O-N 3.37Å; S193-Y197 WeakPolarHBondContact O-CB 3.31Å; S193-Y197 PolarHBondContact O-N 3.48Å; S193-Y197 VanDerWaalsContact O-N 3.12Å; S193-R202 PolarHBondContact O-NH1 2.9Å; S193-R202 VanDerWaalsContact OG-CZ 3.26Å; S193-R202 PolarHBondContact OG-NH1 3.25Å |
| 194 | F | 88.1 | Confident | 86.5 | Confident | 92 Ų | 92 | 40.9 Ų | 40.9 | 40% | 0.404 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.5 | -45 | 171.5 | 178.9 | -108 | 0 | 0 | 0 | 112.1 | L11 T14 H190 I191 C192 Y197 L198 | L11-F194 HydrophobicContact CD2-CD2 3.62Å; L11-F194 HydrophobicContact CD2-CE2 3.6Å; T14-F194 HydrophobicContact CG2-CB 4.41Å; H190-F194 VanDerWaalsContact O-CB 3.29Å; H190-F194 WeakPolarHBondContact O-CB 3.36Å; H190-F194 PolarHBondContact O-N 3.44Å; I191-F194 PolarHBondContact O-N 3.09Å; C192-F194 VanDerWaalsContact C-N 3.32Å; C192-F194 PolarHBondContact O-N 3.18Å; F194-Y197 WeakPolarHBondContact O-CB 3.31Å; F194-Y197 PolarHBondContact O-N 2.88Å; F194-L198 HydrophobicContact CD1-CD1 4.06Å; F194-L198 HydrophobicContact CE1-CD1 3.54Å; F194-L198 HydrophobicContact CE1-CG 4.18Å; F194-L198 HydrophobicContact CZ-CD1 3.92Å; F194-L198 HydrophobicContact CZ-CD2 4.29Å; F194-L198 HydrophobicContact CZ-CG 4.22Å; F194-L198 WeakPolarHBondContact O-CG 3.48Å; F194-L198 PolarHBondContact O-N 2.86Å |
| 195 | I | 89.1 | Confident | 85 | Confident | 61 Ų | 61 | 39.2 Ų | 39.2 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 177.7 | -59 | 166 | 0 | 0 | 0 | 110.8 | W146 I191 C192 Y197 L198 T199 | W146-I195 HydrophobicContact CH2-CB 4.11Å; W146-I195 HydrophobicContact CH2-CG2 3.39Å; W146-I195 HydrophobicContact CZ2-CG2 4.42Å; W146-I195 HydrophobicContact CZ3-CB 4.14Å; W146-I195 HydrophobicContact CZ3-CG2 3.82Å; I191-I195 HydrophobicContact CG2-CD1 3.75Å; I191-I195 HydrophobicContact CG2-CG1 4.45Å; I191-I195 VanDerWaalsContact O-CG1 3.25Å; I191-I195 WeakPolarHBondContact O-CG1 3.49Å; I191-I195 PolarHBondContact O-N 2.88Å; C192-I195 PolarHBondContact O-N 3.41Å; I195-Y197 PolarHBondContact O-N 3.14Å; I195-L198 PolarHBondContact O-N 2.81Å; I195-T199 HydrophobicContact CG2-CG2 4.22Å; I195-T199 WeakPolarHBondContact O-CB 3.27Å; I195-T199 WeakPolarHBondContact O-CG2 3.33Å; I195-T199 PolarHBondContact O-N 3.32Å; I195-T199 PolarHBondContact O-OG1 3.46Å |
| 196 | M | 88.3 | Confident | 83.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -36.2 | 172.4 | -75.4 | 174.5 | 73.1 | 0 | 0 | 111.9 | W65 V68 W146 C192 T199 G200 T201 R202 M205 | W65-M196 HydrophobicContact CH2-CE 4.33Å; V68-M196 HydrophobicContact CG1-CE 4.32Å; V68-M196 HydrophobicContact CG1-SD 3.68Å; W146-M196 HydrophobicContact CB-CE 4.13Å; W146-M196 HydrophobicContact CB-CG 4.14Å; W146-M196 HydrophobicContact CB-SD 3.76Å; W146-M196 HydrophobicContact CD2-CG 3.3Å; W146-M196 HydrophobicContact CD2-SD 4.13Å; W146-M196 HydrophobicContact CE3-CG 3.7Å; W146-M196 HydrophobicContact CG-CE 4.08Å; W146-M196 HydrophobicContact CG-CG 3.51Å; W146-M196 HydrophobicContact CG-SD 3.78Å; W146-M196 HydrophobicContact CZ2-CG 4.2Å; W146-M196 HydrophobicContact CZ3-CG 4.31Å; C192-M196 WeakPolarHBondContact O-CB 3.35Å; C192-M196 VanDerWaalsContact O-CG 3.26Å; C192-M196 WeakPolarHBondContact O-CG 3.5Å; C192-M196 PolarHBondContact O-N 2.67Å; M196-T199 WeakPolarHBondContact CA-OG1 3.39Å; M196-T199 PolarHBondContact O-OG1 3.07Å; M196-G200 PolarHBondContact O-N 3.22Å; M196-T201 HydrophobicContact CE-CG2 4.31Å; M196-T201 PolarHBondContact O-N 2.93Å; M196-R202 HydrophobicContact CB-CB 4.47Å; M196-R202 PolarHBondContact O-N 3.4Å; M196-M205 HydrophobicContact CE-CE 4.4Å; M196-M205 HydrophobicContact CE-SD 3.25Å; M196-M205 WeakPolarHBondContact CE-SD 3.05Å |
| 197 | Y | 83.4 | Confident | 81.1 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.8 | -48.7 | 173.5 | 167.6 | -98.1 | 0 | 0 | 0 | 111.9 | K7 A10 L11 S193 F194 I195 T199 G200 | K7-Y197 WeakPolarHBondContact CA-OH 3.32Å; K7-Y197 WeakPolarHBondContact CB-OH 3.41Å; K7-Y197 WeakPolarHBondContact CG-OH 3.25Å; A10-Y197 HydrophobicContact CB-CD2 3.87Å; A10-Y197 HydrophobicContact CB-CE2 3.72Å; L11-Y197 HydrophobicContact CD1-CE1 4.41Å; L11-Y197 HydrophobicContact CD2-CD1 3.89Å; L11-Y197 HydrophobicContact CD2-CE1 3.86Å; L11-Y197 HydrophobicContact CG-CD1 4.44Å; L11-Y197 HydrophobicContact CG-CE1 4Å; S193-Y197 WeakPolarHBondContact O-CB 3.31Å; S193-Y197 PolarHBondContact O-N 3.48Å; S193-Y197 VanDerWaalsContact O-N 3.12Å; F194-Y197 WeakPolarHBondContact O-CB 3.31Å; F194-Y197 PolarHBondContact O-N 2.88Å; I195-Y197 PolarHBondContact O-N 3.14Å; Y197-T199 PolarHBondContact O-N 3.36Å; Y197-G200 PolarHBondContact O-N 3.43Å |
| 198 | L | 83.9 | Confident | 79.1 | Confident | 112 Ų | 112 | 48.6 Ų | 48.6 | 59% | 0.586 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.4 | -33.4 | 177.5 | -69.1 | -178.4 | 0 | 0 | 0 | 113.2 | F194 I195 G200 | F194-L198 HydrophobicContact CD1-CD1 4.06Å; F194-L198 HydrophobicContact CE1-CD1 3.54Å; F194-L198 HydrophobicContact CE1-CG 4.18Å; F194-L198 HydrophobicContact CZ-CD1 3.92Å; F194-L198 HydrophobicContact CZ-CD2 4.29Å; F194-L198 HydrophobicContact CZ-CG 4.22Å; F194-L198 WeakPolarHBondContact O-CG 3.48Å; F194-L198 PolarHBondContact O-N 2.86Å; I195-L198 PolarHBondContact O-N 2.81Å; L198-G200 VanDerWaalsContact C-N 3.29Å; L198-G200 PolarHBondContact O-N 3.38Å |
| 199 | T | 83 | Confident | 76.9 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 2.6 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | W146 I195 M196 Y197 T201 | W146-T199 HydrophobicContact CH2-CG2 4.34Å; W146-T199 HydrophobicContact CZ2-CG2 4.11Å; W146-T199 WeakPolarHBondContact CZ2-OG1 3.21Å; I195-T199 HydrophobicContact CG2-CG2 4.22Å; I195-T199 WeakPolarHBondContact O-CB 3.27Å; I195-T199 WeakPolarHBondContact O-CG2 3.33Å; I195-T199 PolarHBondContact O-N 3.32Å; I195-T199 PolarHBondContact O-OG1 3.46Å; M196-T199 WeakPolarHBondContact CA-OG1 3.39Å; M196-T199 PolarHBondContact O-OG1 3.07Å; Y197-T199 PolarHBondContact O-N 3.36Å; T199-T201 PolarHBondContact O-N 3.07Å; T199-T201 PolarHBondContact OG1-OG1 3.02Å; T199-T201 VanDerWaalsContact OG1-OG1 3.11Å |
| 200 | G | 77.3 | Confident | 74.4 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -8.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M196 Y197 L198 R202 Q203 M204 | M196-G200 PolarHBondContact O-N 3.22Å; Y197-G200 PolarHBondContact O-N 3.43Å; L198-G200 VanDerWaalsContact C-N 3.29Å; L198-G200 PolarHBondContact O-N 3.38Å; G200-R202 PolarHBondContact O-N 2.95Å; G200-Q203 PolarHBondContact O-N 3.38Å; G200-Q203 VanDerWaalsContact O-N 3.14Å; G200-M204 PolarHBondContact O-N 3.28Å |
| 201 | T | 76.7 | Confident | 71.9 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.4 | -38.2 | -179.4 | -47 | 0 | 0 | 0 | 0 | 111.6 | C142 W146 M196 T199 Q203 M204 M205 | C142-T201 HydrophobicContact CB-CG2 4.17Å; W146-T201 PolarHBondContact NE1-OG1 3.33Å; M196-T201 HydrophobicContact CE-CG2 4.31Å; M196-T201 PolarHBondContact O-N 2.93Å; T199-T201 PolarHBondContact O-N 3.07Å; T199-T201 PolarHBondContact OG1-OG1 3.02Å; T199-T201 VanDerWaalsContact OG1-OG1 3.11Å; T201-Q203 VanDerWaalsContact C-N 3.33Å; T201-Q203 PolarHBondContact O-N 2.87Å; T201-M204 WeakPolarHBondContact O-CB 3.44Å; T201-M204 PolarHBondContact O-N 2.96Å; T201-M205 PolarHBondContact O-N 3.15Å |
| 202 | R | 68.1 | Low | 69.1 | Low | 38 Ų | 38 | 59.3 Ų | 59.3 | 14% | 0.143 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.9 | -33.8 | -179 | -166 | 169.5 | -172.8 | 171.6 | -6.5 | 113.5 | Q13 T14 S193 M196 G200 M205 S206 | Q13-R202 PolarHBondContact O-NH2 2.98Å; T14-R202 PolarHBondContact OG1-NH1 3.5Å; S193-R202 PolarHBondContact O-NH1 2.9Å; S193-R202 VanDerWaalsContact OG-CZ 3.26Å; S193-R202 PolarHBondContact OG-NH1 3.25Å; M196-R202 HydrophobicContact CB-CB 4.47Å; M196-R202 PolarHBondContact O-N 3.4Å; G200-R202 PolarHBondContact O-N 2.95Å; R202-M205 PolarHBondContact O-N 3.36Å; R202-S206 WeakPolarHBondContact O-CB 3.15Å; R202-S206 PolarHBondContact O-N 2.92Å |
| 203 | Q | 63.8 | Low | 66.5 | Low | 95 Ų | 95 | 64.5 Ų | 64.5 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 176.4 | -68.2 | 175.2 | -15.1 | 0 | 0 | 110.6 | G200 T201 S206 S207 | G200-Q203 PolarHBondContact O-N 3.38Å; G200-Q203 VanDerWaalsContact O-N 3.14Å; T201-Q203 VanDerWaalsContact C-N 3.33Å; T201-Q203 PolarHBondContact O-N 2.87Å; Q203-S206 PolarHBondContact O-N 3.34Å; Q203-S207 PolarHBondContact O-N 3.11Å; Q203-S207 VanDerWaalsContact O-N 3.12Å |
| 204 | M | 61.8 | Low | 63.6 | Low | 86 Ų | 86 | 69.7 Ų | 69.7 | 42% | 0.424 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.2 | -56.4 | -179.2 | 110.9 | 0 | 0 | 111.6 | D139 G200 T201 K208 | D139-M204 WeakPolarHBondContact OD1-CE 3.34Å; G200-M204 PolarHBondContact O-N 3.28Å; T201-M204 WeakPolarHBondContact O-CB 3.44Å; T201-M204 PolarHBondContact O-N 2.96Å; M204-K208 PolarHBondContact O-N 3.49Å |
| 205 | M | 66.5 | Low | 61.1 | Low | 16 Ų | 16 | 75 Ų | 75 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 175.3 | -71.7 | -175.6 | 70.2 | 0 | 0 | 112.4 | W65 I69 F143 M196 T201 R202 S207 K208 H209 | W65-M205 HydrophobicContact CZ2-CE 4.31Å; I69-M205 HydrophobicContact CG2-CE 4.05Å; F143-M205 HydrophobicContact CB-CE 3.68Å; F143-M205 HydrophobicContact CB-SD 3.68Å; M196-M205 HydrophobicContact CE-CE 4.4Å; M196-M205 HydrophobicContact CE-SD 3.25Å; M196-M205 WeakPolarHBondContact CE-SD 3.05Å; T201-M205 PolarHBondContact O-N 3.15Å; R202-M205 PolarHBondContact O-N 3.36Å; M205-S207 PolarHBondContact O-N 3.4Å; M205-K208 PolarHBondContact O-N 2.72Å; M205-H209 WeakPolarHBondContact O-CB 3.41Å; M205-H209 PolarHBondContact O-N 2.97Å; M205-H209 PolarHBondContact O-ND1 3.48Å |
| 206 | S | 58.5 | Low | 59.7 | Low | 44 Ų | 44 | 75.7 Ų | 75.7 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | -179.5 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | R202 Q203 K208 H209 G210 | R202-S206 WeakPolarHBondContact O-CB 3.15Å; R202-S206 PolarHBondContact O-N 2.92Å; Q203-S206 PolarHBondContact O-N 3.34Å; S206-K208 VanDerWaalsContact C-N 3.29Å; S206-K208 PolarHBondContact O-N 3.37Å; S206-H209 PolarHBondContact O-N 3.33Å; S206-G210 PolarHBondContact O-N 3.04Å |
| 207 | S | 55.1 | Low | 58.2 | Low | 106 Ų | 106 | 79.5 Ų | 79.5 | 74% | 0.741 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.9 | -37.1 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | Q203 M205 | Q203-S207 PolarHBondContact O-N 3.11Å; Q203-S207 VanDerWaalsContact O-N 3.12Å; M205-S207 PolarHBondContact O-N 3.4Å |
| 208 | K | 53.7 | Low | 56.8 | Low | 110 Ų | 110 | 82.4 Ų | 82.4 | 48% | 0.478 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -79.4 | -35 | 177 | -168.1 | -174.1 | 179.1 | -156.8 | 0 | 113 | S140 M204 M205 S206 G210 | S140-K208 PolarHBondContact O-NZ 3.13Å; M204-K208 PolarHBondContact O-N 3.49Å; M205-K208 PolarHBondContact O-N 2.72Å; S206-K208 VanDerWaalsContact C-N 3.29Å; S206-K208 PolarHBondContact O-N 3.37Å; K208-G210 PolarHBondContact O-N 3.48Å |
| 209 | H | 51.9 | Low | 55.3 | Low | 43 Ų | 43 | 80.7 Ų | 80.7 | 20% | 0.199 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -81.9 | 5.5 | -179.2 | -69.7 | 81.1 | 0 | 0 | 0 | 113.5 | K73 D76 E79 M205 S206 | K73-H209 WeakPolarHBondContact CE-O 3.46Å; K73-H209 VanDerWaalsContact NZ-C 3.31Å; K73-H209 PolarHBondContact NZ-O 3.27Å; D76-H209 IonicContact OD1-CD2 2.81Å; E79-H209 IonicContact OE1-NE2 3.78Å; M205-H209 WeakPolarHBondContact O-CB 3.41Å; M205-H209 PolarHBondContact O-N 2.97Å; M205-H209 PolarHBondContact O-ND1 3.48Å; S206-H209 PolarHBondContact O-N 3.33Å |
| 210 | G | 44 | Very low | 53.5 | Low | 53 Ų | 53 | 81.8 Ų | 81.8 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 52.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S206 K208 R212 | S206-G210 PolarHBondContact O-N 3.04Å; K208-G210 PolarHBondContact O-N 3.48Å; G210-R212 PolarHBondContact O-N 3.15Å |
| 211 | V | 40 | Very low | 51.9 | Low | 57 Ų | 57 | 85.7 Ų | 85.7 | 35% | 0.345 | 46% | 0.462 | S | S | . | . | trans | -80.3 | 97.2 | 154.1 | -178.3 | 0 | 0 | 0 | 0 | 105.9 | I213 | V211-I213 VanDerWaalsContact C-N 3.3Å; V211-I213 HydrophobicContact CG1-CG1 4.11Å; V211-I213 PolarHBondContact O-N 3.06Å; V211-I213 VanDerWaalsContact O-N 3.09Å | ||
| 212 | R | 35.8 | Very low | 50.2 | Low | 200 Ų | 200 | 91 Ų | 91 | 76% | 0.755 | 49% | 0.49 | S | S | * | . | trans | -53.4 | 111.6 | 141.4 | -115.3 | 180 | 177.8 | -152.1 | 5.7 | 104.1 | G210 D214 | G210-R212 PolarHBondContact O-N 3.15Å; R212-D214 WeakPolarHBondContact CD-OD1 2.96Å; R212-D214 IonicContact NH1-OD1 3.65Å; R212-D214 PolarHBondContact NH1-OD1 3.2Å; R212-D214 IonicContact NH1-OD2 3.89Å; R212-D214 PolarHBondContact O-N 2.69Å | ||
| 213 | I | 37.5 | Very low | 48.8 | Very low | 109 Ų | 109 | 95.1 Ų | 95.1 | 56% | 0.559 | 52% | 0.517 | S | S | * | . | trans | -68.5 | 81.7 | 155.3 | -57 | 177 | 0 | 0 | 0 | 102.7 | E6 V211 V215 | E6-I213 HydrophobicContact CG-CD1 4.33Å; E6-I213 WeakPolarHBondContact OE1-CD1 3.44Å; V211-I213 VanDerWaalsContact C-N 3.3Å; V211-I213 HydrophobicContact CG1-CG1 4.11Å; V211-I213 PolarHBondContact O-N 3.06Å; V211-I213 VanDerWaalsContact O-N 3.09Å; I213-V215 PolarHBondContact O-N 2.93Å | ||
| 214 | D | 29.8 | Very low | 47.5 | Very low | 114 Ų | 114 | 95.1 Ų | 95.1 | 61% | 0.61 | 52% | 0.523 | S | S | * | . | trans | -68.3 | 116.3 | 161.1 | -80.4 | -33.9 | 0 | 0 | 0 | 104.5 | R212 | R212-D214 WeakPolarHBondContact CD-OD1 2.96Å; R212-D214 IonicContact NH1-OD1 3.65Å; R212-D214 PolarHBondContact NH1-OD1 3.2Å; R212-D214 IonicContact NH1-OD2 3.89Å; R212-D214 PolarHBondContact O-N 2.69Å | ||
| 215 | V | 36.1 | Very low | 46.2 | Very low | 203 Ų | 203 | 95.9 Ų | 95.9 | 100% | 1.23 | 53% | 0.532 | S | S | * | . | trans | -55.3 | 0 | 173.6 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | I213 | I213-V215 PolarHBondContact O-N 2.93Š|
Retrieved 215 of 215 residues in 1077.8 ms
(Link to these results)