| 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 | 40.4 | Very low | 59.9 | Low | 196 Ų | 196 | 113.8 Ų | 113.8 | 97% | 0.966 | 58% | 0.577 | S | S | * | * | 0 | -35 | 0 | -77.2 | 179.7 | 178.3 | 0 | 0 | 113.3 | G3 R4 E5 | M1-G3 PolarHBondContact O-N 3.46Å; M1-R4 PolarHBondContact O-N 3.16Å; M1-E5 PolarHBondContact O-N 3.26Å | |||
| 2 | Q | 31.6 | Very low | 62.4 | Low | 160 Ų | 160 | 107.2 Ų | 107.2 | 75% | 0.748 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -54.4 | -40.4 | 176.4 | -97.2 | 157.8 | -28.6 | 0 | 0 | 115.7 | R4 E5 V6 | Q2-R4 VanDerWaalsContact C-N 3.28Å; Q2-R4 PolarHBondContact O-N 3.3Å; Q2-E5 PolarHBondContact O-N 3.23Å; Q2-V6 WeakPolarHBondContact O-CG2 3.49Å; Q2-V6 PolarHBondContact O-N 3.45Å; Q2-V6 VanDerWaalsContact O-N 3.12Å |
| 3 | G | 38.8 | Very low | 64.6 | Low | 65 Ų | 65 | 110.2 Ų | 110.2 | 67% | 0.67 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.8 | -28.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1 G7 | M1-G3 PolarHBondContact O-N 3.46Å; G3-G7 PolarHBondContact O-N 3.46Å |
| 4 | R | 48.9 | Very low | 66.5 | Low | 184 Ų | 184 | 109.4 Ų | 109.4 | 69% | 0.694 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.9 | -33.9 | -179.6 | -146.2 | 175.2 | -172.8 | 176.3 | 2.1 | 111.6 | M1 Q2 S8 | M1-R4 PolarHBondContact O-N 3.16Å; Q2-R4 VanDerWaalsContact C-N 3.28Å; Q2-R4 PolarHBondContact O-N 3.3Å; R4-S8 PolarHBondContact O-N 3.24Å |
| 5 | E | 53.9 | Low | 68.3 | Low | 126 Ų | 126 | 102.1 Ų | 102.1 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.5 | -42.9 | 172.2 | -77.7 | -175.8 | 150.4 | 0 | 0 | 112.2 | M1 Q2 G7 S8 K9 | M1-E5 PolarHBondContact O-N 3.26Å; Q2-E5 PolarHBondContact O-N 3.23Å; E5-G7 PolarHBondContact O-N 2.93Å; E5-S8 PolarHBondContact O-N 3.12Å; E5-S8 PolarHBondContact O-OG 3.04Å; E5-K9 PolarHBondContact O-N 3.41Å; E5-K9 VanDerWaalsContact O-N 3.15Å |
| 6 | V | 58.9 | Low | 69.9 | Low | 100 Ų | 100 | 96.4 Ų | 96.4 | 61% | 0.606 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | Q2 S8 K9 M10 | Q2-V6 WeakPolarHBondContact O-CG2 3.49Å; Q2-V6 PolarHBondContact O-N 3.45Å; Q2-V6 VanDerWaalsContact O-N 3.12Å; V6-S8 VanDerWaalsContact C-N 3.34Å; V6-S8 PolarHBondContact O-N 3.36Å; V6-K9 PolarHBondContact O-N 3.34Å; V6-M10 PolarHBondContact O-N 3.02Å; V6-M10 VanDerWaalsContact O-N 3.09Å |
| 7 | G | 61.6 | Low | 71.4 | Confident | 25 Ų | 25 | 96.9 Ų | 96.9 | 26% | 0.258 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G3 E5 R11 | G3-G7 PolarHBondContact O-N 3.46Å; E5-G7 PolarHBondContact O-N 2.93Å; G7-R11 WeakPolarHBondContact O-CG 3.45Å; G7-R11 PolarHBondContact O-N 2.78Å |
| 8 | S | 73.3 | Confident | 72.7 | Confident | 28 Ų | 28 | 93.2 Ų | 93.2 | 20% | 0.196 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 176.7 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | R4 E5 V6 R11 Y12 | R4-S8 PolarHBondContact O-N 3.24Å; E5-S8 PolarHBondContact O-N 3.12Å; E5-S8 PolarHBondContact O-OG 3.04Å; V6-S8 VanDerWaalsContact C-N 3.34Å; V6-S8 PolarHBondContact O-N 3.36Å; S8-R11 PolarHBondContact O-N 3.38Å; S8-Y12 WeakPolarHBondContact O-CD1 3.4Å; S8-Y12 VanDerWaalsContact O-CG 3.3Å; S8-Y12 PolarHBondContact O-N 2.96Å; S8-Y12 VanDerWaalsContact O-N 3.08Å |
| 9 | K | 79.7 | Confident | 73.9 | Confident | 140 Ų | 140 | 88.3 Ų | 88.3 | 61% | 0.609 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.4 | -43.6 | 177.1 | -73.5 | -178 | 178.6 | 177.6 | 0 | 111.9 | E5 V6 R11 Y12 W13 | E5-K9 PolarHBondContact O-N 3.41Å; E5-K9 VanDerWaalsContact O-N 3.15Å; V6-K9 PolarHBondContact O-N 3.34Å; K9-R11 VanDerWaalsContact C-N 3.34Å; K9-R11 PolarHBondContact O-N 3.09Å; K9-Y12 PolarHBondContact O-N 3.39Å; K9-W13 VanDerWaalsContact O-CD1 3.27Å; K9-W13 PolarHBondContact O-N 3.49Å; K9-W13 VanDerWaalsContact O-N 3.1Å |
| 10 | M | 85.6 | Confident | 74.9 | Confident | 133 Ų | 133 | 85.8 Ų | 85.8 | 66% | 0.655 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 177.2 | -174.6 | 173.2 | 77.2 | 0 | 0 | 111.7 | V6 Y12 W13 L14 | V6-M10 PolarHBondContact O-N 3.02Å; V6-M10 VanDerWaalsContact O-N 3.09Å; M10-Y12 VanDerWaalsContact C-N 3.33Å; M10-Y12 PolarHBondContact O-N 3.1Å; M10-W13 PolarHBondContact O-N 2.89Å; M10-L14 WeakPolarHBondContact O-CB 3.43Å; M10-L14 PolarHBondContact O-N 3.18Å |
| 11 | R | 85.9 | Confident | 75.8 | Confident | 95 Ų | 95 | 86.7 Ų | 86.7 | 36% | 0.358 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 175.5 | -73.1 | 178.2 | -176.8 | -171.8 | 4.3 | 112.4 | G7 S8 K9 L14 T15 Y225 N228 | G7-R11 WeakPolarHBondContact O-CG 3.45Å; G7-R11 PolarHBondContact O-N 2.78Å; S8-R11 PolarHBondContact O-N 3.38Å; K9-R11 VanDerWaalsContact C-N 3.34Å; K9-R11 PolarHBondContact O-N 3.09Å; R11-L14 PolarHBondContact O-N 3.49Å; R11-T15 WeakPolarHBondContact O-CB 3.38Å; R11-T15 PolarHBondContact O-N 3.05Å; R11-T15 PolarHBondContact O-OG1 3.44Å; R11-Y225 PolarHBondContact NH1-O 3.07Å; R11-N228 PolarHBondContact NH1-OD1 3.39Å |
| 12 | Y | 89.7 | Confident | 78.5 | Confident | 34 Ų | 34 | 77.7 Ų | 77.7 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 178.7 | -65.1 | -2.4 | 0 | 0 | 0 | 111.6 | S8 K9 M10 T15 L16 L152 F223 Y225 | S8-Y12 WeakPolarHBondContact O-CD1 3.4Å; S8-Y12 VanDerWaalsContact O-CG 3.3Å; S8-Y12 PolarHBondContact O-N 2.96Å; S8-Y12 VanDerWaalsContact O-N 3.08Å; K9-Y12 PolarHBondContact O-N 3.39Å; M10-Y12 VanDerWaalsContact C-N 3.33Å; M10-Y12 PolarHBondContact O-N 3.1Å; Y12-T15 PolarHBondContact O-N 2.88Å; Y12-L16 WeakPolarHBondContact O-CB 3.31Å; Y12-L16 PolarHBondContact O-N 3.33Å; Y12-L152 HydrophobicContact CD1-CD1 3.8Å; Y12-L152 HydrophobicContact CD1-CD2 4.31Å; Y12-L152 HydrophobicContact CD2-CB 4.11Å; Y12-L152 HydrophobicContact CE1-CD1 4.28Å; Y12-L152 HydrophobicContact CE1-CD2 3.98Å; Y12-L152 HydrophobicContact CE2-CB 4.42Å; Y12-L152 HydrophobicContact CE2-CD2 4.27Å; Y12-L152 HydrophobicContact CG-CB 4.3Å; Y12-L152 HydrophobicContact CG-CD1 3.94Å; Y12-F223 PolarHBondContact OH-O 2.7Å; Y12-F223 VanDerWaalsContact OH-O 3.1Å; Y12-Y225 AromaticContact CD1-CE1 3.81Å; Y12-Y225 HydrophobicContact CD1-CE1 3.81Å; Y12-Y225 AromaticContact CD1-CZ 3.98Å; Y12-Y225 WeakPolarHBondContact CD1-OH 3.45Å; Y12-Y225 HydrophobicContact CE1-CD1 4.31Å; Y12-Y225 AromaticContact CE1-CE1 3.5Å; Y12-Y225 HydrophobicContact CE1-CE1 3.5Å |
| 13 | W | 91.1 | Very high | 81.5 | Confident | 147 Ų | 147 | 70 Ų | 70 | 56% | 0.557 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 174.6 | -80.6 | 106.3 | 0 | 0 | 0 | 112.7 | K9 M10 T15 L16 I17 F153 | K9-W13 VanDerWaalsContact O-CD1 3.27Å; K9-W13 PolarHBondContact O-N 3.49Å; K9-W13 VanDerWaalsContact O-N 3.1Å; M10-W13 PolarHBondContact O-N 2.89Å; W13-T15 VanDerWaalsContact C-N 3.3Å; W13-T15 PolarHBondContact O-N 2.94Å; W13-L16 HydrophobicContact CE3-CD2 3.95Å; W13-L16 HydrophobicContact CZ3-CD2 3.86Å; W13-L16 WeakPolarHBondContact O-CB 3.41Å; W13-L16 PolarHBondContact O-N 3.39Å; W13-I17 WeakPolarHBondContact O-CG1 3.44Å; W13-I17 PolarHBondContact O-N 3.29Å; W13-F153 HydrophobicContact CZ2-CE1 4.39Å |
| 14 | L | 92.1 | Very high | 84.2 | Confident | 98 Ų | 98 | 69.8 Ų | 69.8 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 175.3 | -166.5 | 85.5 | 0 | 0 | 0 | 111.3 | M10 R11 S18 L209 | M10-L14 WeakPolarHBondContact O-CB 3.43Å; M10-L14 PolarHBondContact O-N 3.18Å; R11-L14 PolarHBondContact O-N 3.49Å; L14-S18 WeakPolarHBondContact O-CB 3.47Å; L14-S18 PolarHBondContact O-N 3.19Å; L14-S18 PolarHBondContact O-OG 3.28Å; L14-L209 HydrophobicContact CB-CD2 4.16Å; L14-L209 HydrophobicContact CD2-CD1 4.22Å; L14-L209 HydrophobicContact CD2-CD2 3.41Å; L14-L209 VanDerWaalsContact CD2-CD2 3.41Å; L14-L209 HydrophobicContact CD2-CG 3.89Å; L14-L209 HydrophobicContact CG-CD2 3.59Å |
| 15 | T | 92.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -38.9 | 178.2 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | R11 Y12 W13 S18 G19 V149 R205 L209 M210 Y225 | R11-T15 WeakPolarHBondContact O-CB 3.38Å; R11-T15 PolarHBondContact O-N 3.05Å; R11-T15 PolarHBondContact O-OG1 3.44Å; Y12-T15 PolarHBondContact O-N 2.88Å; W13-T15 VanDerWaalsContact C-N 3.3Å; W13-T15 PolarHBondContact O-N 2.94Å; T15-S18 PolarHBondContact O-OG 3.35Å; T15-G19 PolarHBondContact O-N 3.19Å; T15-V149 HydrophobicContact CG2-CG1 4.33Å; T15-V149 HydrophobicContact CG2-CG2 3.89Å; T15-R205 PolarHBondContact O-NH2 2.87Å; T15-L209 PolarHBondContact OG1-O 3.11Å; T15-M210 HydrophobicContact CG2-CE 4.24Å; T15-Y225 WeakPolarHBondContact CB-OH 3.29Å; T15-Y225 HydrophobicContact CG2-CE2 4.35Å; T15-Y225 PolarHBondContact OG1-OH 3.49Å; T15-Y225 VanDerWaalsContact OG1-OH 3.04Å |
| 16 | L | 94.5 | Very high | 88.2 | Confident | 10 Ų | 10 | 57.8 Ų | 57.8 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.9 | -59.4 | 174.3 | 179.2 | 60.4 | 0 | 0 | 0 | 111.3 | Y12 W13 S18 G19 M20 V149 F153 I160 Y164 | Y12-L16 WeakPolarHBondContact O-CB 3.31Å; Y12-L16 PolarHBondContact O-N 3.33Å; W13-L16 HydrophobicContact CE3-CD2 3.95Å; W13-L16 HydrophobicContact CZ3-CD2 3.86Å; W13-L16 WeakPolarHBondContact O-CB 3.41Å; W13-L16 PolarHBondContact O-N 3.39Å; L16-S18 PolarHBondContact O-N 3.14Å; L16-G19 PolarHBondContact O-N 3.29Å; L16-G19 VanDerWaalsContact O-N 3.16Å; L16-M20 HydrophobicContact CD1-CG 4.35Å; L16-M20 HydrophobicContact CD1-SD 4.25Å; L16-M20 HydrophobicContact CG-SD 4.2Å; L16-M20 WeakPolarHBondContact O-CG 3.31Å; L16-M20 PolarHBondContact O-N 3.21Å; L16-V149 HydrophobicContact CB-CG1 4.47Å; L16-V149 HydrophobicContact CD1-CG1 4.48Å; L16-F153 HydrophobicContact CB-CE2 4.35Å; L16-F153 HydrophobicContact CB-CZ 4.46Å; L16-F153 HydrophobicContact CD2-CE2 4.26Å; L16-F153 HydrophobicContact CD2-CZ 4.13Å; L16-I160 HydrophobicContact CD1-CD1 4.29Å; L16-I160 HydrophobicContact CD1-CG1 4.35Å; L16-I160 HydrophobicContact CD1-CG2 3.62Å; L16-I160 HydrophobicContact CD2-CD1 4.13Å; L16-Y164 WeakPolarHBondContact CA-OH 3.41Å; L16-Y164 HydrophobicContact CD1-CE2 3.92Å; L16-Y164 PolarHBondContact O-OH 3.02Å |
| 17 | I | 94.6 | Very high | 89.8 | Confident | 105 Ų | 105 | 53.1 Ų | 53.1 | 54% | 0.538 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | -175.2 | -65.5 | 166.9 | 0 | 0 | 0 | 111.2 | W13 G19 M20 L21 | W13-I17 WeakPolarHBondContact O-CG1 3.44Å; W13-I17 PolarHBondContact O-N 3.29Å; I17-G19 VanDerWaalsContact C-N 3.28Å; I17-G19 PolarHBondContact O-N 3.15Å; I17-M20 PolarHBondContact O-N 2.94Å; I17-L21 PolarHBondContact O-N 2.89Å |
| 18 | S | 94.7 | Very high | 91.2 | Very high | 30 Ų | 30 | 52 Ų | 52 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -35.3 | 177.8 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | L14 T15 L16 E22 R205 L209 | L14-S18 WeakPolarHBondContact O-CB 3.47Å; L14-S18 PolarHBondContact O-N 3.19Å; L14-S18 PolarHBondContact O-OG 3.28Å; T15-S18 PolarHBondContact O-OG 3.35Å; L16-S18 PolarHBondContact O-N 3.14Å; S18-E22 WeakPolarHBondContact O-CB 3.49Å; S18-E22 PolarHBondContact O-N 3.2Å; S18-R205 PolarHBondContact OG-NE 3.39Å; S18-L209 WeakPolarHBondContact OG-CD2 3.43Å |
| 19 | G | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.2 | -38.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T15 L16 I17 L21 E22 C23 Y164 | T15-G19 PolarHBondContact O-N 3.19Å; L16-G19 PolarHBondContact O-N 3.29Å; L16-G19 VanDerWaalsContact O-N 3.16Å; I17-G19 VanDerWaalsContact C-N 3.28Å; I17-G19 PolarHBondContact O-N 3.15Å; G19-L21 VanDerWaalsContact C-N 3.34Å; G19-E22 WeakPolarHBondContact O-CB 3.3Å; G19-E22 PolarHBondContact O-N 3.32Å; G19-C23 PolarHBondContact O-N 3.28Å; G19-Y164 VanDerWaalsContact C-CE1 3.42Å |
| 20 | M | 94.8 | Very high | 92.8 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.2 | -73.7 | 173.6 | 55.3 | 0 | 0 | 110.5 | L16 I17 E22 C23 L24 F163 Y164 | L16-M20 HydrophobicContact CD1-CG 4.35Å; L16-M20 HydrophobicContact CD1-SD 4.25Å; L16-M20 HydrophobicContact CG-SD 4.2Å; L16-M20 WeakPolarHBondContact O-CG 3.31Å; L16-M20 PolarHBondContact O-N 3.21Å; I17-M20 PolarHBondContact O-N 2.94Å; M20-E22 VanDerWaalsContact C-N 3.32Å; M20-E22 PolarHBondContact O-N 2.92Å; M20-C23 PolarHBondContact O-N 3.33Å; M20-L24 WeakPolarHBondContact O-CB 3.21Å; M20-L24 PolarHBondContact O-N 3.04Å; M20-F163 HydrophobicContact CE-CD1 3.64Å; M20-F163 HydrophobicContact CE-CD2 4.14Å; M20-F163 HydrophobicContact CE-CE1 3.07Å; M20-F163 HydrophobicContact CE-CE2 3.67Å; M20-F163 HydrophobicContact CE-CG 4.16Å; M20-F163 HydrophobicContact CE-CZ 3.11Å; M20-F163 HydrophobicContact SD-CD1 3.57Å; M20-F163 VanDerWaalsContact SD-CD1 3.57Å; M20-F163 HydrophobicContact SD-CE1 3.44Å; M20-F163 WeakPolarHBondContact SD-CE1 3.35Å; M20-F163 HydrophobicContact SD-CG 4.35Å; M20-F163 HydrophobicContact SD-CZ 4.13Å; M20-Y164 HydrophobicContact CG-CD1 4.43Å; M20-Y164 HydrophobicContact CG-CE1 4.14Å |
| 21 | L | 94.9 | Very high | 93 | Very high | 106 Ų | 106 | 38.2 Ų | 38.2 | 56% | 0.555 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61.9 | -42 | 175.2 | -174.5 | 64.7 | 0 | 0 | 0 | 111.4 | I17 G19 L24 C25 | I17-L21 PolarHBondContact O-N 2.89Å; G19-L21 VanDerWaalsContact C-N 3.34Å; L21-L24 PolarHBondContact O-N 2.68Å; L21-C25 WeakPolarHBondContact O-CB 3.39Å; L21-C25 PolarHBondContact O-N 3.24Å |
| 22 | E | 95.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 173.9 | 172.8 | 173.1 | -89.9 | 0 | 0 | 112 | S18 G19 M20 F26 R103 L142 N146 H202 R205 | S18-E22 WeakPolarHBondContact O-CB 3.49Å; S18-E22 PolarHBondContact O-N 3.2Å; G19-E22 WeakPolarHBondContact O-CB 3.3Å; G19-E22 PolarHBondContact O-N 3.32Å; M20-E22 VanDerWaalsContact C-N 3.32Å; M20-E22 PolarHBondContact O-N 2.92Å; E22-F26 PolarHBondContact O-N 3.15Å; E22-R103 VanDerWaalsContact CD-NH2 3.34Å; E22-R103 IonicContact OE1-CZ 2.79Å; E22-R103 IonicContact OE1-NH1 3.19Å; E22-R103 IonicContact OE1-NH2 3.39Å; E22-R103 PolarHBondContact OE1-NH2 3.35Å; E22-R103 IonicContact OE2-CZ 3.61Å; E22-R103 IonicContact OE2-NH1 2.78Å; E22-R103 PolarHBondContact OE2-NH1 3.06Å; E22-R103 IonicContact OE2-NH2 3.9Å; E22-R103 PolarHBondContact OE2-NH2 3.18Å; E22-R103 VanDerWaalsContact OE2-NH2 3.09Å; E22-L142 HydrophobicContact CG-CD1 4.3Å; E22-N146 PolarHBondContact OE2-ND2 3.02Å; E22-H202 IonicContact OE1-CE1 2.74Å; E22-H202 IonicContact OE1-CG 2.88Å; E22-H202 IonicContact OE1-ND1 3.86Å; E22-H202 PolarHBondContact OE1-ND1 3.33Å; E22-R205 IonicContact OE1-NH1 2.77Å; E22-R205 IonicContact OE2-CZ 3.77Å; E22-R205 IonicContact OE2-NH1 3.09Å; E22-R205 PolarHBondContact OE2-NH1 2.97Å |
| 23 | C | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -65.2 | -41.9 | 177.5 | -74.3 | 0 | 0 | 0 | 0 | 112.3 | G19 M20 C25 A27 N146 Y164 A167 S171 | G19-C23 PolarHBondContact O-N 3.28Å; M20-C23 PolarHBondContact O-N 3.33Å; C23-C25 VanDerWaalsContact C-N 3.31Å; C23-C25 PolarHBondContact O-N 3.14Å; C23-A27 HydrophobicContact CB-CB 4.26Å; C23-A27 PolarHBondContact O-N 3.13Å; C23-N146 PolarHBondContact SG-ND2 2.95Å; C23-N146 VanDerWaalsContact SG-ND2 3.39Å; C23-Y164 HydrophobicContact CB-CD1 4.47Å; C23-A167 HydrophobicContact CB-CB 3.77Å; C23-S171 VanDerWaalsContact O-CB 3.32Å; C23-S171 WeakPolarHBondContact O-CB 3.21Å |
| 24 | L | 94.9 | Very high | 92.9 | Very high | 60 Ų | 60 | 25.9 Ų | 25.9 | 31% | 0.314 | 14% | 0.139 | S | C | . | . | I | π-helix | trans | -65.3 | -32.5 | -178 | -176 | 64.4 | 0 | 0 | 0 | 112.9 | M20 L21 A167 S170 S171 | M20-L24 WeakPolarHBondContact O-CB 3.21Å; M20-L24 PolarHBondContact O-N 3.04Å; L21-L24 PolarHBondContact O-N 2.68Å; L24-A167 WeakPolarHBondContact CA-O 3.42Å; L24-A167 HydrophobicContact CB-CB 4.26Å; L24-S170 VanDerWaalsContact CD1-CB 3.45Å; L24-S171 WeakPolarHBondContact O-CA 3.32Å; L24-S171 WeakPolarHBondContact O-CB 3.49Å |
| 25 | C | 93.9 | Very high | 92.8 | Very high | 37 Ų | 37 | 21.2 Ų | 21.2 | 25% | 0.25 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -101.1 | -20.8 | -175.1 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | L21 C23 V29 V174 | L21-C25 WeakPolarHBondContact O-CB 3.39Å; L21-C25 PolarHBondContact O-N 3.24Å; C23-C25 VanDerWaalsContact C-N 3.31Å; C23-C25 PolarHBondContact O-N 3.14Å; C25-V29 WeakPolarHBondContact O-CG1 3.37Å; C25-V174 WeakPolarHBondContact O-CG2 3.27Å |
| 26 | F | 93.9 | Very high | 92.8 | Very high | 20 Ų | 20 | 21.2 Ų | 21.2 | 9% | 0.088 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -137.9 | -16 | -166.3 | -54.8 | -81.7 | 0 | 0 | 0 | 115.7 | E22 Y110 L142 L195 C198 H202 | E22-F26 PolarHBondContact O-N 3.15Å; F26-Y110 HydrophobicContact CB-CE1 4.24Å; F26-Y110 HydrophobicContact CB-CE2 4.32Å; F26-Y110 AromaticContact CD1-CE1 3.77Å; F26-Y110 HydrophobicContact CD1-CE1 3.77Å; F26-Y110 AromaticContact CD1-CZ 3.94Å; F26-Y110 HydrophobicContact CG-CE1 4.46Å; F26-Y110 WeakPolarHBondContact O-CE2 3.31Å; F26-Y110 PolarHBondContact O-OH 3.45Å; F26-L142 HydrophobicContact CB-CD1 4.38Å; F26-L195 HydrophobicContact CD1-CD2 4.41Å; F26-L195 HydrophobicContact CE1-CD2 3.87Å; F26-C198 HydrophobicContact CE1-CB 3.41Å; F26-C198 VanDerWaalsContact CE1-CB 3.41Å; F26-C198 HydrophobicContact CE2-CB 4.31Å; F26-C198 HydrophobicContact CZ-CB 3.28Å; F26-H202 AromaticContact CD1-NE2 3.6Å; F26-H202 AromaticContact CD2-CE1 3.19Å; F26-H202 WeakPolarHBondContact CD2-CE1 3.48Å; F26-H202 AromaticContact CD2-NE2 3.34Å; F26-H202 VanDerWaalsContact CD2-NE2 3.34Å; F26-H202 WeakPolarHBondContact CD2-NE2 3.46Å; F26-H202 AromaticContact CE2-CE1 3.7Å; F26-H202 AromaticContact CE2-NE2 3.8Å; F26-H202 AromaticContact CG-CE1 3.53Å; F26-H202 AromaticContact CG-NE2 3.22Å; F26-H202 WeakPolarHBondContact CG-NE2 3.28Å |
| 27 | A | 92.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -86.9 | -38.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C23 G139 L142 F168 | C23-A27 HydrophobicContact CB-CB 4.26Å; C23-A27 PolarHBondContact O-N 3.13Å; A27-G139 WeakPolarHBondContact CB-O 3.42Å; A27-G139 CarbonylContact O-C 3.18Å; A27-G139 VanDerWaalsContact O-C 3.29Å; A27-G139 WeakPolarHBondContact O-CA 3.33Å; A27-L142 HydrophobicContact CB-CB 4.48Å; A27-F168 VanDerWaalsContact C-CD2 3.43Å; A27-F168 HydrophobicContact CB-CD2 3.39Å; A27-F168 HydrophobicContact CB-CE2 3.98Å; A27-F168 HydrophobicContact CB-CG 4.35Å; A27-F168 WeakPolarHBondContact O-CE2 3.25Å |
| 28 | G | 91.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -120.7 | 23.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V30 F31 F168 S171 | G28-V30 PolarHBondContact O-N 3.01Å; G28-V30 VanDerWaalsContact O-N 3.12Å; G28-F31 WeakPolarHBondContact O-CD2 3.49Å; G28-F31 PolarHBondContact O-N 2.88Å; G28-F168 WeakPolarHBondContact CA-O 3.46Å; G28-S171 WeakPolarHBondContact CA-OG 3.47Å; G28-S171 PolarHBondContact N-OG 3.3Å; G28-S171 PolarHBondContact O-OG 3.17Å |
| 29 | V | 94.2 | Very high | 92 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -57 | -31.9 | -173.4 | -58.9 | 0 | 0 | 0 | 0 | 113 | C25 F31 G32 Y110 I135 S171 V174 F175 | C25-V29 WeakPolarHBondContact O-CG1 3.37Å; V29-F31 PolarHBondContact O-N 3.25Å; V29-F31 VanDerWaalsContact O-N 3.14Å; V29-G32 PolarHBondContact O-N 3.19Å; V29-Y110 HydrophobicContact CG2-CE2 4.29Å; V29-I135 HydrophobicContact CG2-CG2 3.42Å; V29-I135 VanDerWaalsContact CG2-CG2 3.42Å; V29-S171 PolarHBondContact N-OG 2.87Å; V29-V174 HydrophobicContact CG1-CB 3.9Å; V29-V174 HydrophobicContact CG1-CG1 4.21Å; V29-V174 HydrophobicContact CG1-CG2 4.12Å; V29-F175 HydrophobicContact CB-CD1 4.21Å; V29-F175 HydrophobicContact CB-CE1 3.88Å; V29-F175 HydrophobicContact CB-CZ 4.16Å; V29-F175 HydrophobicContact CG2-CE1 3.88Å; V29-F175 HydrophobicContact CG2-CZ 3.9Å; V29-F175 WeakPolarHBondContact O-CD2 3.24Å; V29-F175 VanDerWaalsContact O-CE2 3.29Å; V29-F175 WeakPolarHBondContact O-CE2 3.49Å |
| 30 | V | 92.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.024 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -60.4 | -25.1 | 178.6 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | G28 G32 Y33 A79 I135 A136 | G28-V30 PolarHBondContact O-N 3.01Å; G28-V30 VanDerWaalsContact O-N 3.12Å; V30-G32 PolarHBondContact O-N 2.68Å; V30-Y33 VanDerWaalsContact O-CB 3.25Å; V30-Y33 WeakPolarHBondContact O-CB 3.47Å; V30-Y33 PolarHBondContact O-N 3.34Å; V30-Y33 VanDerWaalsContact O-N 3.17Å; V30-A79 HydrophobicContact CG1-CB 4.1Å; V30-I135 HydrophobicContact CG2-CB 3.98Å; V30-I135 HydrophobicContact CG2-CG2 3.55Å; V30-A136 HydrophobicContact CB-CB 4.32Å; V30-A136 HydrophobicContact CG1-CB 4.37Å; V30-A136 HydrophobicContact CG2-CB 3.94Å |
| 31 | F | 88.4 | Confident | 91.6 | Very high | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -75.3 | -5.9 | 176 | -64.2 | -73.2 | 0 | 0 | 0 | 113.7 | G28 V29 F76 F168 Y300 Q332 R405 | G28-F31 WeakPolarHBondContact O-CD2 3.49Å; G28-F31 PolarHBondContact O-N 2.88Å; V29-F31 PolarHBondContact O-N 3.25Å; V29-F31 VanDerWaalsContact O-N 3.14Å; F31-F76 HydrophobicContact CD1-CE2 4.41Å; F31-F76 HydrophobicContact CD1-CZ 4.36Å; F31-F168 AromaticContact CD2-CE1 3.77Å; F31-F168 HydrophobicContact CD2-CE1 3.77Å; F31-F168 HydrophobicContact CD2-CZ 4.22Å; F31-F168 AromaticContact CE2-CE1 3.46Å; F31-F168 HydrophobicContact CE2-CE1 3.46Å; F31-F168 VanDerWaalsContact CE2-CE1 3.46Å; F31-F168 AromaticContact CE2-CZ 3.68Å; F31-F168 HydrophobicContact CE2-CZ 3.68Å; F31-Y300 HydrophobicContact CD1-CE1 4.45Å; F31-Y300 HydrophobicContact CE1-CD1 4.47Å; F31-Y300 AromaticContact CE1-CE1 3.63Å; F31-Y300 HydrophobicContact CE1-CE1 3.63Å; F31-Y300 HydrophobicContact CZ-CE1 4.4Å; F31-Q332 PolarHBondContact O-NE2 2.66Å; F31-R405 VanDerWaalsContact CB-NH2 3.34Å; F31-R405 VanDerWaalsContact CG-NH2 3.29Å |
| 32 | G | 89.3 | Confident | 91.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -88.3 | 15.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V29 V30 T34 S35 S172 F175 | V29-G32 PolarHBondContact O-N 3.19Å; V30-G32 PolarHBondContact O-N 2.68Å; G32-T34 PolarHBondContact O-N 3.27Å; G32-T34 VanDerWaalsContact O-N 3.09Å; G32-S35 PolarHBondContact O-N 3.46Å; G32-S172 WeakPolarHBondContact CA-O 3.33Å; G32-F175 WeakPolarHBondContact O-CB 3.33Å |
| 33 | Y | 89.4 | Confident | 91.1 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 5% | 0.047 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -52.4 | -33.8 | -173 | -175.7 | -112.6 | 0 | 0 | 0 | 114.1 | V30 S35 L36 V37 F72 V75 F76 L132 | V30-Y33 VanDerWaalsContact O-CB 3.25Å; V30-Y33 WeakPolarHBondContact O-CB 3.47Å; V30-Y33 PolarHBondContact O-N 3.34Å; V30-Y33 VanDerWaalsContact O-N 3.17Å; Y33-S35 PolarHBondContact O-N 2.92Å; Y33-L36 HydrophobicContact CD2-CD2 4.41Å; Y33-L36 PolarHBondContact O-N 2.61Å; Y33-V37 HydrophobicContact CD1-CG2 3.55Å; Y33-V37 HydrophobicContact CD2-CG2 4.25Å; Y33-V37 HydrophobicContact CE1-CG2 3.13Å; Y33-V37 HydrophobicContact CE2-CG2 3.87Å; Y33-V37 HydrophobicContact CG-CG2 4.11Å; Y33-V37 WeakPolarHBondContact O-CG2 3.41Å; Y33-V37 PolarHBondContact O-N 3.46Å; Y33-F72 HydrophobicContact CE1-CB 4.37Å; Y33-F72 WeakPolarHBondContact CE1-O 3.45Å; Y33-F72 VanDerWaalsContact CZ-O 3.26Å; Y33-F72 VanDerWaalsContact OH-C 3.28Å; Y33-F72 WeakPolarHBondContact OH-CA 3.37Å; Y33-F72 WeakPolarHBondContact OH-CB 3.18Å; Y33-F72 WeakPolarHBondContact OH-CD1 3.37Å; Y33-F72 PolarHBondContact OH-O 3Å; Y33-V75 HydrophobicContact CE2-CG1 4.47Å; Y33-F76 HydrophobicContact CD1-CB 3.57Å; Y33-F76 AromaticContact CD1-CD2 3.87Å; Y33-F76 HydrophobicContact CD1-CD2 3.87Å; Y33-F76 AromaticContact CD1-CG 3.87Å; Y33-F76 HydrophobicContact CD1-CG 3.87Å; Y33-F76 HydrophobicContact CE1-CB 3.54Å; Y33-F76 HydrophobicContact CE1-CG 4.35Å; Y33-F76 HydrophobicContact CG-CB 4.11Å; Y33-F76 AromaticContact CG-CD2 3.78Å; Y33-F76 HydrophobicContact CG-CD2 3.78Å; Y33-F76 HydrophobicContact CG-CG 4.25Å; Y33-L132 HydrophobicContact CD2-CD1 3.85Å; Y33-L132 HydrophobicContact CE2-CD1 3.49Å; Y33-L132 VanDerWaalsContact CE2-CD1 3.49Å |
| 34 | T | 86.3 | Confident | 90.9 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59 | -34.5 | 179.3 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | G32 I303 L306 | G32-T34 PolarHBondContact O-N 3.27Å; G32-T34 VanDerWaalsContact O-N 3.09Å; T34-I303 HydrophobicContact CG2-CG2 4.39Å; T34-L306 HydrophobicContact CG2-CD2 4.32Å |
| 35 | S | 90.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.6 | -38.7 | 173.3 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | G32 Y33 F38 | G32-S35 PolarHBondContact O-N 3.46Å; Y33-S35 PolarHBondContact O-N 2.92Å; S35-F38 WeakPolarHBondContact O-CB 3.33Å; S35-F38 PolarHBondContact O-N 3.28Å |
| 36 | L | 91.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 178.4 | -176.2 | 65.1 | 0 | 0 | 0 | 112 | Y33 F38 V39 L40 L132 F175 L188 F192 | Y33-L36 HydrophobicContact CD2-CD2 4.41Å; Y33-L36 PolarHBondContact O-N 2.61Å; L36-F38 PolarHBondContact O-N 3.21Å; L36-V39 WeakPolarHBondContact O-CB 3.49Å; L36-V39 PolarHBondContact O-N 3.04Å; L36-L40 HydrophobicContact CD1-CG 4.46Å; L36-L40 HydrophobicContact CD2-CD1 4.31Å; L36-L40 HydrophobicContact CG-CD1 3.95Å; L36-L40 HydrophobicContact CG-CG 4.15Å; L36-L40 WeakPolarHBondContact O-CG 3.42Å; L36-L40 PolarHBondContact O-N 2.99Å; L36-L132 HydrophobicContact CD2-CD1 4.32Å; L36-L132 HydrophobicContact CD2-CD2 4Å; L36-F175 HydrophobicContact CB-CB 4.4Å; L36-F175 HydrophobicContact CB-CD2 3.68Å; L36-F175 HydrophobicContact CB-CE2 4.16Å; L36-F175 HydrophobicContact CB-CG 4.19Å; L36-F175 HydrophobicContact CD2-CD2 3.99Å; L36-F175 HydrophobicContact CD2-CE2 3.58Å; L36-F175 HydrophobicContact CD2-CZ 3.97Å; L36-F175 HydrophobicContact CG-CD2 4.37Å; L36-F175 HydrophobicContact CG-CE2 4.43Å; L36-L188 HydrophobicContact CD1-CD1 4.01Å; L36-F192 HydrophobicContact CD1-CE2 4.13Å; L36-F192 HydrophobicContact CD1-CZ 4.22Å |
| 37 | V | 90.2 | Very high | 90.4 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 4% | 0.036 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.1 | -36.2 | 177 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | Y33 L40 K41 F72 | Y33-V37 HydrophobicContact CD1-CG2 3.55Å; Y33-V37 HydrophobicContact CD2-CG2 4.25Å; Y33-V37 HydrophobicContact CE1-CG2 3.13Å; Y33-V37 HydrophobicContact CE2-CG2 3.87Å; Y33-V37 HydrophobicContact CG-CG2 4.11Å; Y33-V37 WeakPolarHBondContact O-CG2 3.41Å; Y33-V37 PolarHBondContact O-N 3.46Å; V37-L40 PolarHBondContact O-N 2.9Å; V37-K41 HydrophobicContact CG1-CD 4.22Å; V37-K41 HydrophobicContact CG1-CG 4.31Å; V37-K41 WeakPolarHBondContact O-CB 3.4Å; V37-K41 WeakPolarHBondContact O-CG 3.45Å; V37-K41 PolarHBondContact O-N 3.36Å; V37-F72 HydrophobicContact CG1-CB 4.48Å; V37-F72 HydrophobicContact CG1-CD2 4.03Å; V37-F72 HydrophobicContact CG1-CE2 4.43Å; V37-F72 HydrophobicContact CG1-CG 4.22Å; V37-F72 HydrophobicContact CG2-CB 4.22Å; V37-F72 HydrophobicContact CG2-CD1 4.47Å; V37-F72 HydrophobicContact CG2-CG 4.33Å |
| 38 | F | 86.7 | Confident | 90.1 | Very high | 82 Ų | 82 | 30.1 Ų | 30.1 | 36% | 0.36 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 176 | -174.6 | -88.1 | 0 | 0 | 0 | 111.3 | S35 L36 K41 E42 K179 | S35-F38 WeakPolarHBondContact O-CB 3.33Å; S35-F38 PolarHBondContact O-N 3.28Å; L36-F38 PolarHBondContact O-N 3.21Å; F38-K41 PolarHBondContact O-N 2.99Å; F38-E42 PolarHBondContact O-N 2.96Å; F38-E42 VanDerWaalsContact O-N 3.08Å; F38-K179 HydrophobicContact CB-CD 4.27Å; F38-K179 HydrophobicContact CD1-CD 4.09Å; F38-K179 VanDerWaalsContact CD1-CE 3.48Å; F38-K179 HydrophobicContact CD1-CG 4.16Å; F38-K179 HydrophobicContact CG-CD 4.31Å |
| 39 | V | 90.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.2 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | L36 K41 E42 D43 K179 H182 L188 | L36-V39 WeakPolarHBondContact O-CB 3.49Å; L36-V39 PolarHBondContact O-N 3.04Å; V39-K41 VanDerWaalsContact C-N 3.31Å; V39-K41 PolarHBondContact O-N 3.46Å; V39-E42 WeakPolarHBondContact O-CB 3.44Å; V39-E42 PolarHBondContact O-N 3.46Å; V39-D43 PolarHBondContact O-N 3.14Å; V39-K179 HydrophobicContact CG2-CB 3.84Å; V39-K179 HydrophobicContact CG2-CG 4.02Å; V39-H182 HydrophobicContact CG1-CB 4.1Å; V39-H182 HydrophobicContact CG2-CB 4.14Å; V39-L188 HydrophobicContact CG1-CD1 3.91Å |
| 40 | L | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -35.2 | 179.2 | -65.6 | 173.2 | 0 | 0 | 0 | 112.7 | L36 V37 D43 Q44 Y45 F72 L128 L188 | L36-L40 HydrophobicContact CD1-CG 4.46Å; L36-L40 HydrophobicContact CD2-CD1 4.31Å; L36-L40 HydrophobicContact CG-CD1 3.95Å; L36-L40 HydrophobicContact CG-CG 4.15Å; L36-L40 WeakPolarHBondContact O-CG 3.42Å; L36-L40 PolarHBondContact O-N 2.99Å; V37-L40 PolarHBondContact O-N 2.9Å; L40-D43 CarbonylContact O-C 3.59Å; L40-Q44 PolarHBondContact O-N 3.12Å; L40-Y45 HydrophobicContact CB-CD2 4.3Å; L40-Y45 HydrophobicContact CB-CG 4.32Å; L40-Y45 HydrophobicContact CD2-CD1 4.24Å; L40-Y45 HydrophobicContact CD2-CD2 3.87Å; L40-Y45 HydrophobicContact CD2-CE1 4.23Å; L40-Y45 HydrophobicContact CD2-CE2 3.86Å; L40-Y45 HydrophobicContact CD2-CG 4.06Å; L40-Y45 WeakPolarHBondContact O-CB 3.29Å; L40-Y45 WeakPolarHBondContact O-CD2 3.17Å; L40-Y45 PolarHBondContact O-N 3.47Å; L40-F72 HydrophobicContact CB-CE1 3.74Å; L40-F72 HydrophobicContact CB-CZ 3.85Å; L40-F72 HydrophobicContact CD1-CD1 4.32Å; L40-F72 HydrophobicContact CD1-CE1 3.85Å; L40-F72 HydrophobicContact CG-CE1 4.44Å; L40-L128 HydrophobicContact CD1-CD1 3.89Å; L40-L128 HydrophobicContact CD1-CD2 4.39Å; L40-L128 HydrophobicContact CD2-CD1 4.22Å; L40-L128 HydrophobicContact CD2-CD2 4.16Å; L40-L188 HydrophobicContact CD2-CD2 3.91Å |
| 41 | K | 89.4 | Confident | 88.6 | Confident | 67 Ų | 67 | 37.9 Ų | 37.9 | 29% | 0.291 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.6 | -40.8 | 173.7 | -78.1 | -174.9 | 173.6 | -163.4 | 0 | 111.8 | V37 F38 V39 D43 Q44 D69 F72 | V37-K41 HydrophobicContact CG1-CD 4.22Å; V37-K41 HydrophobicContact CG1-CG 4.31Å; V37-K41 WeakPolarHBondContact O-CB 3.4Å; V37-K41 WeakPolarHBondContact O-CG 3.45Å; V37-K41 PolarHBondContact O-N 3.36Å; F38-K41 PolarHBondContact O-N 2.99Å; V39-K41 VanDerWaalsContact C-N 3.31Å; V39-K41 PolarHBondContact O-N 3.46Å; K41-D43 VanDerWaalsContact C-N 3.31Å; K41-Q44 PolarHBondContact O-N 2.86Å; K41-Q44 VanDerWaalsContact O-N 3.16Å; K41-Q44 PolarHBondContact O-NE2 2.9Å; K41-D69 WeakPolarHBondContact CE-OD1 3.39Å; K41-D69 IonicContact NZ-OD1 3.75Å; K41-D69 PolarHBondContact NZ-OD1 3.36Å; K41-D69 IonicContact NZ-OD2 2.65Å; K41-F72 HydrophobicContact CG-CD2 4.46Å; K41-F72 HydrophobicContact CG-CE2 3.65Å; K41-F72 HydrophobicContact CG-CZ 4.26Å |
| 42 | E | 88.5 | Confident | 88 | Confident | 98 Ų | 98 | 43 Ų | 43 | 46% | 0.458 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 174.6 | -169.8 | 174.2 | -165.5 | 0 | 0 | 110.7 | F38 V39 Q44 H182 | F38-E42 PolarHBondContact O-N 2.96Å; F38-E42 VanDerWaalsContact O-N 3.08Å; V39-E42 WeakPolarHBondContact O-CB 3.44Å; V39-E42 PolarHBondContact O-N 3.46Å; E42-Q44 PolarHBondContact O-N 3.32Å; E42-Q44 VanDerWaalsContact O-N 3.1Å; E42-Q44 PolarHBondContact O-NE2 3.33Å; E42-Q44 VanDerWaalsContact O-NE2 3.14Å; E42-H182 IonicContact OE2-CE1 3.34Å; E42-H182 PolarHBondContact OE2-CE1 3.48Å; E42-H182 IonicContact OE2-ND1 2.94Å; E42-H182 PolarHBondContact OE2-ND1 3.2Å |
| 43 | D | 91.3 | Very high | 86.8 | Confident | 54 Ų | 54 | 47 Ų | 47 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 10.7 | 176.6 | -73.3 | -7 | 0 | 0 | 0 | 114.6 | V39 L40 K41 Y45 H182 | V39-D43 PolarHBondContact O-N 3.14Å; L40-D43 CarbonylContact O-C 3.59Å; K41-D43 VanDerWaalsContact C-N 3.31Å; D43-Y45 VanDerWaalsContact C-N 3.32Å; D43-Y45 HydrophobicContact CB-CD2 3.72Å; D43-Y45 HydrophobicContact CB-CE2 3.7Å; D43-Y45 PolarHBondContact O-N 3.48Å; D43-H182 IonicContact OD1-CE1 3.31Å; D43-H182 PolarHBondContact OD1-CE1 3.38Å; D43-H182 VanDerWaalsContact OD1-CE1 3.23Å; D43-H182 IonicContact OD1-NE2 3.5Å; D43-H182 PolarHBondContact OD1-NE2 2.98Å; D43-H182 IonicContact OD2-NE2 3.23Å |
| 44 | Q | 91.1 | Very high | 85.3 | Confident | 108 Ų | 108 | 51.8 Ų | 51.8 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 24.6 | 174 | -54.5 | -59.3 | -59.1 | 0 | 0 | 116 | L40 K41 E42 S47 | L40-Q44 PolarHBondContact O-N 3.12Å; K41-Q44 PolarHBondContact O-N 2.86Å; K41-Q44 VanDerWaalsContact O-N 3.16Å; K41-Q44 PolarHBondContact O-NE2 2.9Å; E42-Q44 PolarHBondContact O-N 3.32Å; E42-Q44 VanDerWaalsContact O-N 3.1Å; E42-Q44 PolarHBondContact O-NE2 3.33Å; E42-Q44 VanDerWaalsContact O-NE2 3.14Å; Q44-S47 VanDerWaalsContact O-CB 3.3Å; Q44-S47 WeakPolarHBondContact O-CB 3.29Å; Q44-S47 PolarHBondContact O-N 3.27Å; Q44-S47 PolarHBondContact O-OG 2.85Å |
| 45 | Y | 93.1 | Very high | 83.9 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 136.6 | 174 | -78.1 | -108.1 | 0 | 0 | 0 | 111.3 | L40 D43 S47 Q68 S120 S121 S125 L128 | L40-Y45 HydrophobicContact CB-CD2 4.3Å; L40-Y45 HydrophobicContact CB-CG 4.32Å; L40-Y45 HydrophobicContact CD2-CD1 4.24Å; L40-Y45 HydrophobicContact CD2-CD2 3.87Å; L40-Y45 HydrophobicContact CD2-CE1 4.23Å; L40-Y45 HydrophobicContact CD2-CE2 3.86Å; L40-Y45 HydrophobicContact CD2-CG 4.06Å; L40-Y45 WeakPolarHBondContact O-CB 3.29Å; L40-Y45 WeakPolarHBondContact O-CD2 3.17Å; L40-Y45 PolarHBondContact O-N 3.47Å; D43-Y45 VanDerWaalsContact C-N 3.32Å; D43-Y45 HydrophobicContact CB-CD2 3.72Å; D43-Y45 HydrophobicContact CB-CE2 3.7Å; D43-Y45 PolarHBondContact O-N 3.48Å; Y45-S47 PolarHBondContact O-N 3.3Å; Y45-Q68 PolarHBondContact O-NE2 2.93Å; Y45-S120 PolarHBondContact OH-O 3.49Å; Y45-S120 PolarHBondContact OH-OG 2.8Å; Y45-S121 WeakPolarHBondContact CE1-O 3.23Å; Y45-S121 WeakPolarHBondContact OH-CA 3.44Å; Y45-S121 PolarHBondContact OH-N 2.88Å; Y45-S125 WeakPolarHBondContact CD1-OG 2.87Å; Y45-L128 HydrophobicContact CD1-CD1 3.52Å; Y45-L128 HydrophobicContact CD1-CG 4.18Å; Y45-L128 HydrophobicContact CE1-CD1 3.92Å; Y45-L128 HydrophobicContact CE1-CD2 4.26Å; Y45-L128 HydrophobicContact CE1-CG 4.1Å; Y45-L128 HydrophobicContact CG-CD1 4.35Å |
| 46 | F | 91.4 | Very high | 82.2 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 20 | -176.7 | -56.9 | -68.1 | 0 | 0 | 0 | 114.8 | E48 L49 Q68 Q71 F72 V75 S125 L126 L128 F129 | F46-E48 PolarHBondContact O-N 3.04Å; F46-L49 HydrophobicContact CB-CD1 4.35Å; F46-L49 PolarHBondContact O-N 3.01Å; F46-L49 VanDerWaalsContact O-N 3.09Å; F46-Q68 HydrophobicContact CB-CG 3.79Å; F46-Q71 HydrophobicContact CD1-CB 4.1Å; F46-Q71 HydrophobicContact CD1-CG 4.18Å; F46-Q71 HydrophobicContact CD2-CB 4.1Å; F46-Q71 HydrophobicContact CE1-CB 4.2Å; F46-Q71 HydrophobicContact CE1-CG 4.39Å; F46-Q71 HydrophobicContact CE2-CB 4.21Å; F46-Q71 HydrophobicContact CG-CB 4.04Å; F46-Q71 HydrophobicContact CG-CG 4.49Å; F46-Q71 HydrophobicContact CZ-CB 4.26Å; F46-F72 AromaticContact CD2-CD1 3.95Å; F46-F72 HydrophobicContact CD2-CD1 3.95Å; F46-F72 AromaticContact CD2-CE1 3.55Å; F46-F72 HydrophobicContact CD2-CE1 3.55Å; F46-F72 HydrophobicContact CD2-CE2 4.44Å; F46-F72 AromaticContact CD2-CZ 3.83Å; F46-F72 HydrophobicContact CD2-CZ 3.83Å; F46-F72 HydrophobicContact CE2-CD1 4.06Å; F46-F72 AromaticContact CE2-CE1 3.89Å; F46-F72 HydrophobicContact CE2-CE1 3.89Å; F46-V75 HydrophobicContact CE2-CG2 4.48Å; F46-V75 HydrophobicContact CZ-CG2 4.46Å; F46-S125 WeakPolarHBondContact CZ-O 3.34Å; F46-S125 PolarHBondContact N-OG 2.96Å; F46-L126 HydrophobicContact CE1-CD2 4.27Å; F46-L128 HydrophobicContact CE2-CD1 3.94Å; F46-F129 HydrophobicContact CZ-CE2 4.09Å |
| 47 | S | 87.2 | Confident | 80.5 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -60.6 | -25 | -179.6 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | Q44 Y45 L49 C50 | Q44-S47 VanDerWaalsContact O-CB 3.3Å; Q44-S47 WeakPolarHBondContact O-CB 3.29Å; Q44-S47 PolarHBondContact O-N 3.27Å; Q44-S47 PolarHBondContact O-OG 2.85Å; Y45-S47 PolarHBondContact O-N 3.3Å; S47-L49 PolarHBondContact O-N 3.39Å; S47-L49 VanDerWaalsContact O-N 3.1Å; S47-C50 WeakPolarHBondContact O-CB 3.31Å; S47-C50 PolarHBondContact O-N 3.05Å; S47-C50 VanDerWaalsContact O-N 3.08Å |
| 48 | E | 85.8 | Confident | 78.9 | Confident | 134 Ų | 134 | 70.6 Ų | 70.6 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -58.4 | -19.1 | 173.9 | 64.8 | -116.2 | -173.1 | 0 | 0 | 114.8 | F46 | F46-E48 PolarHBondContact O-N 3.04Š|
| 49 | L | 83.7 | Confident | 77.4 | Confident | 69 Ų | 69 | 73 Ų | 73 | 36% | 0.361 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -92.1 | 2.9 | -180 | -61.6 | 176.5 | 0 | 0 | 0 | 113.1 | F46 S47 Q71 | F46-L49 HydrophobicContact CB-CD1 4.35Å; F46-L49 PolarHBondContact O-N 3.01Å; F46-L49 VanDerWaalsContact O-N 3.09Å; S47-L49 PolarHBondContact O-N 3.39Å; S47-L49 VanDerWaalsContact O-N 3.1Å; L49-Q71 HydrophobicContact CD1-CB 4.33Å; L49-Q71 HydrophobicContact CD1-CG 3.27Å |
| 50 | C | 84.9 | Confident | 75.7 | Confident | 33 Ų | 33 | 79 Ų | 79 | 22% | 0.223 | 45% | 0.448 | C | S | . | . | trans | -89 | 131.8 | 172.2 | -65.6 | 0 | 0 | 0 | 0 | 110.5 | S47 T63 D64 C65 | S47-C50 WeakPolarHBondContact O-CB 3.31Å; S47-C50 PolarHBondContact O-N 3.05Å; S47-C50 VanDerWaalsContact O-N 3.08Å; C50-T63 HydrophobicContact CB-CG2 3.93Å; C50-D64 CarbonylContact C-O 3.6Å; C50-D64 VanDerWaalsContact CA-O 3.31Å; C50-D64 WeakPolarHBondContact CA-O 3.32Å; C50-C65 HydrophobicContact CB-CB 4.2Å; C50-C65 WeakPolarHBondContact CB-SG 3.32Å; C50-C65 WeakPolarHBondContact SG-CB 3.24Å; C50-C65 CovalentContact SG-SG 2.05Å; C50-C65 PolarHBondContact SG-SG 3.46Å | ||
| 51 | S | 77.6 | Confident | 74.1 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.6 | 176.5 | -65.2 | 0 | 0 | 0 | 0 | 110.8 | N53 D64 | S51-N53 PolarHBondContact O-N 3.44Å; S51-D64 PolarHBondContact N-O 2.81Å; S51-D64 PolarHBondContact O-N 3.02Å |
| 52 | N | 76.3 | Confident | 72.6 | Confident | 114 Ų | 114 | 85.8 Ų | 85.8 | 61% | 0.61 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 104 | 172.5 | -76.8 | -15.8 | 0 | 0 | 0 | 109.2 | V61 T63 | N52-V61 HydrophobicContact CB-CG1 3.95Å; N52-T63 PolarHBondContact OD1-OG1 3.4Å |
| 53 | N | 64.1 | Low | 71.7 | Confident | 84 Ų | 84 | 84.6 Ų | 84.6 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 111 | 174.5 | -69.4 | -17 | 0 | 0 | 0 | 108.7 | S51 V55 E62 | S51-N53 PolarHBondContact O-N 3.44Å; N53-V55 PolarHBondContact O-N 3.17Å; N53-E62 PolarHBondContact N-O 3.3Å; N53-E62 VanDerWaalsContact N-O 3.15Å; N53-E62 PolarHBondContact O-N 2.8Å |
| 54 | T | 57.5 | Low | 70.8 | Confident | 112 Ų | 112 | 84.9 Ų | 84.9 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 106.3 | 167.9 | 38.9 | 0 | 0 | 0 | 0 | 109.3 | S56 | T54-S56 PolarHBondContact O-N 2.96Å |
| 55 | V | 58.4 | Low | 70.3 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 42% | 0.424 | 47% | 0.473 | S | S | . | . | trans | -69.9 | 116.7 | 171.6 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | N53 N57 S58 | N53-V55 PolarHBondContact O-N 3.17Å; V55-N57 PolarHBondContact O-N 3.37Å; V55-S58 PolarHBondContact O-N 3.48Å; V55-S58 VanDerWaalsContact O-O 3.06Å | ||
| 56 | S | 54 | Low | 69.6 | Low | 117 Ų | 117 | 86.3 Ų | 86.3 | 82% | 0.818 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 8.1 | -167.3 | -47.7 | 0 | 0 | 0 | 0 | 116.6 | T54 | T54-S56 PolarHBondContact O-N 2.96Š|
| 57 | N | 56.6 | Low | 69 | Low | 167 Ų | 167 | 87.2 Ų | 87.2 | 89% | 0.893 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | 9.2 | 178.8 | -85.3 | -24 | 0 | 0 | 0 | 114.7 | V55 | V55-N57 PolarHBondContact O-N 3.37Š|
| 58 | S | 56 | Low | 69 | Low | 55 Ų | 55 | 85.8 Ų | 85.8 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -147.3 | 137.2 | 172.6 | 45.2 | 0 | 0 | 0 | 0 | 109.1 | V55 L60 | V55-S58 PolarHBondContact O-N 3.48Å; V55-S58 VanDerWaalsContact O-O 3.06Å; S58-L60 PolarHBondContact O-N 2.88Å |
| 59 | S | 55.9 | Low | 68.8 | Low | 131 Ų | 131 | 81.8 Ų | 81.8 | 92% | 0.916 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -69.1 | 27 | 174.2 | 54 | 0 | 0 | 0 | 0 | 113.3 | ||
| 60 | L | 54.7 | Low | 68.7 | Low | 128 Ų | 128 | 83.2 Ų | 83.2 | 67% | 0.67 | 48% | 0.479 | S | S | * | . | trans | -98.1 | 106 | 176.6 | -73.9 | 163 | 0 | 0 | 0 | 107.4 | S58 E62 | S58-L60 PolarHBondContact O-N 2.88Å; L60-E62 PolarHBondContact O-N 3.34Å | ||
| 61 | V | 58.2 | Low | 68.9 | Low | 82 Ų | 82 | 84.3 Ų | 84.3 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 106.2 | 168.1 | 179.7 | 0 | 0 | 0 | 0 | 106.5 | N52 | N52-V61 HydrophobicContact CB-CG1 3.95Å |
| 62 | E | 59.1 | Low | 69.3 | Low | 127 Ų | 127 | 81.2 Ų | 81.2 | 59% | 0.593 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 110.2 | 170.5 | -166.6 | 171 | -175.7 | 0 | 0 | 107.5 | N53 L60 D64 | N53-E62 PolarHBondContact N-O 3.3Å; N53-E62 VanDerWaalsContact N-O 3.15Å; N53-E62 PolarHBondContact O-N 2.8Å; L60-E62 PolarHBondContact O-N 3.34Å; E62-D64 PolarHBondContact O-N 3.46Å |
| 63 | T | 69.3 | Low | 69.7 | Low | 73 Ų | 73 | 76.7 Ų | 76.7 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 110.7 | 176.3 | -57 | 0 | 0 | 0 | 0 | 108.6 | C50 N52 | C50-T63 HydrophobicContact CB-CG2 3.93Å; N52-T63 PolarHBondContact OD1-OG1 3.4Å |
| 64 | D | 72.8 | Confident | 70.8 | Confident | 61 Ų | 61 | 75 Ų | 75 | 33% | 0.326 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 113.5 | 173.8 | -176.6 | 7.9 | 0 | 0 | 0 | 109.7 | C50 S51 E62 R66 | C50-D64 CarbonylContact C-O 3.6Å; C50-D64 VanDerWaalsContact CA-O 3.31Å; C50-D64 WeakPolarHBondContact CA-O 3.32Å; S51-D64 PolarHBondContact N-O 2.81Å; S51-D64 PolarHBondContact O-N 3.02Å; E62-D64 PolarHBondContact O-N 3.46Å; D64-R66 WeakPolarHBondContact OD1-CB 3.38Å; D64-R66 WeakPolarHBondContact OD1-CD 3.34Å; D64-R66 WeakPolarHBondContact OD1-CG 3.13Å; D64-R66 PolarHBondContact OD1-N 2.87Å; D64-R66 VanDerWaalsContact OD1-N 3.08Å |
| 65 | C | 80.6 | Confident | 72.4 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 22% | 0.216 | 39% | 0.394 | C | S | . | . | trans | -111.6 | 24.5 | 179.9 | -73.9 | 0 | 0 | 0 | 0 | 113.2 | C50 G67 Q68 D69 | C50-C65 HydrophobicContact CB-CB 4.2Å; C50-C65 WeakPolarHBondContact CB-SG 3.32Å; C50-C65 WeakPolarHBondContact SG-CB 3.24Å; C50-C65 CovalentContact SG-SG 2.05Å; C50-C65 PolarHBondContact SG-SG 3.46Å; C65-G67 VanDerWaalsContact C-N 3.28Å; C65-G67 PolarHBondContact O-N 2.99Å; C65-Q68 HydrophobicContact CB-CB 4.25Å; C65-Q68 WeakPolarHBondContact O-CB 3.48Å; C65-Q68 PolarHBondContact O-N 3.3Å; C65-Q68 VanDerWaalsContact O-N 3.12Å; C65-D69 PolarHBondContact O-N 3.41Å; C65-D69 VanDerWaalsContact O-N 3.15Å | ||
| 66 | R | 77.5 | Confident | 73.8 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 42% | 0.419 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -53.6 | -42.4 | 178.9 | -76.9 | 168 | 98.1 | 150.4 | 11.7 | 113.1 | D64 Q68 D69 E70 K451 D455 | D64-R66 WeakPolarHBondContact OD1-CB 3.38Å; D64-R66 WeakPolarHBondContact OD1-CD 3.34Å; D64-R66 WeakPolarHBondContact OD1-CG 3.13Å; D64-R66 PolarHBondContact OD1-N 2.87Å; D64-R66 VanDerWaalsContact OD1-N 3.08Å; R66-Q68 VanDerWaalsContact C-N 3.35Å; R66-Q68 PolarHBondContact O-N 3.43Å; R66-D69 PolarHBondContact O-N 2.95Å; R66-E70 WeakPolarHBondContact O-CG 3.2Å; R66-E70 PolarHBondContact O-N 2.96Å; R66-K451 PolarHBondContact NH2-O 3.39Å; R66-D455 IonicContact NH1-OD1 2.71Å; R66-D455 IonicContact NH2-OD1 3.75Å |
| 67 | G | 79.1 | Confident | 75.4 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C65 E70 Q71 | C65-G67 VanDerWaalsContact C-N 3.28Å; C65-G67 PolarHBondContact O-N 2.99Å; G67-E70 PolarHBondContact O-N 3.47Å; G67-Q71 PolarHBondContact O-N 3.23Å; G67-Q71 VanDerWaalsContact O-N 3.11Å |
| 68 | Q | 86.3 | Confident | 77.1 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 174.3 | -166.9 | -165.3 | 40 | 0 | 0 | 111 | Y45 F46 C65 R66 E70 Q71 F72 | Y45-Q68 PolarHBondContact O-NE2 2.93Å; F46-Q68 HydrophobicContact CB-CG 3.79Å; C65-Q68 HydrophobicContact CB-CB 4.25Å; C65-Q68 WeakPolarHBondContact O-CB 3.48Å; C65-Q68 PolarHBondContact O-N 3.3Å; C65-Q68 VanDerWaalsContact O-N 3.12Å; R66-Q68 VanDerWaalsContact C-N 3.35Å; R66-Q68 PolarHBondContact O-N 3.43Å; Q68-E70 VanDerWaalsContact C-N 3.29Å; Q68-E70 PolarHBondContact O-N 3.14Å; Q68-Q71 PolarHBondContact O-N 2.92Å; Q68-F72 HydrophobicContact CG-CD2 4.06Å; Q68-F72 HydrophobicContact CG-CE2 3.59Å; Q68-F72 HydrophobicContact CG-CZ 4.45Å; Q68-F72 VanDerWaalsContact O-CD2 3.27Å; Q68-F72 WeakPolarHBondContact O-CD2 3.29Å; Q68-F72 PolarHBondContact O-N 3.32Å |
| 69 | D | 81.2 | Confident | 78.8 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.9 | -30.8 | 178.4 | -82.1 | -29.6 | 0 | 0 | 0 | 113.3 | K41 C65 R66 S73 K451 | K41-D69 WeakPolarHBondContact CE-OD1 3.39Å; K41-D69 IonicContact NZ-OD1 3.75Å; K41-D69 PolarHBondContact NZ-OD1 3.36Å; K41-D69 IonicContact NZ-OD2 2.65Å; C65-D69 PolarHBondContact O-N 3.41Å; C65-D69 VanDerWaalsContact O-N 3.15Å; R66-D69 PolarHBondContact O-N 2.95Å; D69-S73 WeakPolarHBondContact O-CB 3.44Å; D69-S73 PolarHBondContact O-N 3.48Å; D69-S73 PolarHBondContact O-OG 2.86Å; D69-K451 PolarHBondContact O-NZ 3.33Å |
| 70 | E | 82.3 | Confident | 80.4 | Confident | 99 Ų | 99 | 47.2 Ų | 47.2 | 46% | 0.463 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 171.8 | -76.1 | 178.2 | 178.9 | 0 | 0 | 112 | R66 G67 Q68 F72 S73 L74 K451 | R66-E70 WeakPolarHBondContact O-CG 3.2Å; R66-E70 PolarHBondContact O-N 2.96Å; G67-E70 PolarHBondContact O-N 3.47Å; Q68-E70 VanDerWaalsContact C-N 3.29Å; Q68-E70 PolarHBondContact O-N 3.14Å; E70-F72 PolarHBondContact O-N 2.85Å; E70-S73 PolarHBondContact O-N 2.87Å; E70-L74 WeakPolarHBondContact O-CB 3.24Å; E70-L74 PolarHBondContact O-N 3.35Å; E70-K451 HydrophobicContact CG-CD 4.48Å |
| 71 | Q | 88.6 | Confident | 82.2 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 176.3 | -69.9 | -56 | -36 | 0 | 0 | 111.7 | F46 L49 G67 Q68 S73 L74 V75 | F46-Q71 HydrophobicContact CD1-CB 4.1Å; F46-Q71 HydrophobicContact CD1-CG 4.18Å; F46-Q71 HydrophobicContact CD2-CB 4.1Å; F46-Q71 HydrophobicContact CE1-CB 4.2Å; F46-Q71 HydrophobicContact CE1-CG 4.39Å; F46-Q71 HydrophobicContact CE2-CB 4.21Å; F46-Q71 HydrophobicContact CG-CB 4.04Å; F46-Q71 HydrophobicContact CG-CG 4.49Å; F46-Q71 HydrophobicContact CZ-CB 4.26Å; L49-Q71 HydrophobicContact CD1-CB 4.33Å; L49-Q71 HydrophobicContact CD1-CG 3.27Å; G67-Q71 PolarHBondContact O-N 3.23Å; G67-Q71 VanDerWaalsContact O-N 3.11Å; Q68-Q71 PolarHBondContact O-N 2.92Å; Q71-S73 VanDerWaalsContact C-N 3.3Å; Q71-S73 PolarHBondContact O-N 2.98Å; Q71-L74 WeakPolarHBondContact O-CB 3.29Å; Q71-L74 PolarHBondContact O-N 3.22Å; Q71-L74 VanDerWaalsContact O-N 3.12Å; Q71-V75 WeakPolarHBondContact O-CG2 3.3Å; Q71-V75 PolarHBondContact O-N 3.44Å |
| 72 | F | 87.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 175.9 | -71.7 | -52.6 | 0 | 0 | 0 | 112.4 | Y33 V37 L40 K41 F46 Q68 E70 L74 V75 F76 L128 | Y33-F72 HydrophobicContact CE1-CB 4.37Å; Y33-F72 WeakPolarHBondContact CE1-O 3.45Å; Y33-F72 VanDerWaalsContact CZ-O 3.26Å; Y33-F72 VanDerWaalsContact OH-C 3.28Å; Y33-F72 WeakPolarHBondContact OH-CA 3.37Å; Y33-F72 WeakPolarHBondContact OH-CB 3.18Å; Y33-F72 WeakPolarHBondContact OH-CD1 3.37Å; Y33-F72 PolarHBondContact OH-O 3Å; V37-F72 HydrophobicContact CG1-CB 4.48Å; V37-F72 HydrophobicContact CG1-CD2 4.03Å; V37-F72 HydrophobicContact CG1-CE2 4.43Å; V37-F72 HydrophobicContact CG1-CG 4.22Å; V37-F72 HydrophobicContact CG2-CB 4.22Å; V37-F72 HydrophobicContact CG2-CD1 4.47Å; V37-F72 HydrophobicContact CG2-CG 4.33Å; L40-F72 HydrophobicContact CB-CE1 3.74Å; L40-F72 HydrophobicContact CB-CZ 3.85Å; L40-F72 HydrophobicContact CD1-CD1 4.32Å; L40-F72 HydrophobicContact CD1-CE1 3.85Å; L40-F72 HydrophobicContact CG-CE1 4.44Å; K41-F72 HydrophobicContact CG-CD2 4.46Å; K41-F72 HydrophobicContact CG-CE2 3.65Å; K41-F72 HydrophobicContact CG-CZ 4.26Å; F46-F72 AromaticContact CD2-CD1 3.95Å; F46-F72 HydrophobicContact CD2-CD1 3.95Å; F46-F72 AromaticContact CD2-CE1 3.55Å; F46-F72 HydrophobicContact CD2-CE1 3.55Å; F46-F72 HydrophobicContact CD2-CE2 4.44Å; F46-F72 AromaticContact CD2-CZ 3.83Å; F46-F72 HydrophobicContact CD2-CZ 3.83Å; F46-F72 HydrophobicContact CE2-CD1 4.06Å; F46-F72 AromaticContact CE2-CE1 3.89Å; F46-F72 HydrophobicContact CE2-CE1 3.89Å; Q68-F72 HydrophobicContact CG-CD2 4.06Å; Q68-F72 HydrophobicContact CG-CE2 3.59Å; Q68-F72 HydrophobicContact CG-CZ 4.45Å; Q68-F72 VanDerWaalsContact O-CD2 3.27Å; Q68-F72 WeakPolarHBondContact O-CD2 3.29Å; Q68-F72 PolarHBondContact O-N 3.32Å; E70-F72 PolarHBondContact O-N 2.85Å; F72-L74 VanDerWaalsContact C-N 3.31Å; F72-L74 PolarHBondContact O-N 2.91Å; F72-V75 PolarHBondContact O-N 2.98Å; F72-F76 PolarHBondContact O-N 3.11Å; F72-L128 HydrophobicContact CE1-CD1 4.42Å |
| 73 | S | 84.4 | Confident | 85.5 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.8 | -37.7 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | D69 E70 Q71 T77 K451 | D69-S73 WeakPolarHBondContact O-CB 3.44Å; D69-S73 PolarHBondContact O-N 3.48Å; D69-S73 PolarHBondContact O-OG 2.86Å; E70-S73 PolarHBondContact O-N 2.87Å; Q71-S73 VanDerWaalsContact C-N 3.3Å; Q71-S73 PolarHBondContact O-N 2.98Å; S73-T77 WeakPolarHBondContact O-CB 3.44Å; S73-T77 PolarHBondContact O-N 2.98Å; S73-T77 PolarHBondContact O-OG1 2.91Å; S73-K451 PolarHBondContact OG-NZ 3.3Å |
| 74 | L | 86.7 | Confident | 86.5 | Confident | 47 Ų | 47 | 32.3 Ų | 32.3 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 178 | -174.5 | 65.4 | 0 | 0 | 0 | 111.8 | E70 Q71 F72 F76 T77 I78 F129 Y444 | E70-L74 WeakPolarHBondContact O-CB 3.24Å; E70-L74 PolarHBondContact O-N 3.35Å; Q71-L74 WeakPolarHBondContact O-CB 3.29Å; Q71-L74 PolarHBondContact O-N 3.22Å; Q71-L74 VanDerWaalsContact O-N 3.12Å; F72-L74 VanDerWaalsContact C-N 3.31Å; F72-L74 PolarHBondContact O-N 2.91Å; L74-F76 VanDerWaalsContact C-N 3.34Å; L74-F76 PolarHBondContact O-N 3.24Å; L74-T77 WeakPolarHBondContact O-CB 3.45Å; L74-T77 PolarHBondContact O-N 3.3Å; L74-T77 VanDerWaalsContact O-N 3.15Å; L74-I78 HydrophobicContact CD1-CD1 4.18Å; L74-I78 HydrophobicContact CD1-CG1 4.42Å; L74-I78 HydrophobicContact CG-CD1 3.99Å; L74-I78 WeakPolarHBondContact O-CG1 3.28Å; L74-I78 PolarHBondContact O-N 3.29Å; L74-F129 HydrophobicContact CB-CE1 4.42Å; L74-F129 HydrophobicContact CD2-CE1 3.97Å; L74-F129 HydrophobicContact CD2-CZ 4.13Å; L74-F129 HydrophobicContact CG-CE1 3.95Å; L74-F129 HydrophobicContact CG-CZ 4.46Å; L74-Y444 HydrophobicContact CD1-CD2 4.24Å; L74-Y444 HydrophobicContact CD1-CE2 3.88Å |
| 75 | V | 91.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.6 | -49 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | Y33 F46 Q71 F72 T77 I78 A79 L128 F129 L132 | Y33-V75 HydrophobicContact CE2-CG1 4.47Å; F46-V75 HydrophobicContact CE2-CG2 4.48Å; F46-V75 HydrophobicContact CZ-CG2 4.46Å; Q71-V75 WeakPolarHBondContact O-CG2 3.3Å; Q71-V75 PolarHBondContact O-N 3.44Å; F72-V75 PolarHBondContact O-N 2.98Å; V75-T77 PolarHBondContact O-N 2.83Å; V75-I78 PolarHBondContact O-N 2.74Å; V75-A79 WeakPolarHBondContact O-CB 3.48Å; V75-A79 PolarHBondContact O-N 3.1Å; V75-L128 HydrophobicContact CG1-CB 4.26Å; V75-F129 HydrophobicContact CB-CD1 4.49Å; V75-F129 HydrophobicContact CB-CE1 4.35Å; V75-F129 HydrophobicContact CG2-CD1 3.86Å; V75-F129 HydrophobicContact CG2-CD2 3.93Å; V75-F129 HydrophobicContact CG2-CE1 3.58Å; V75-F129 HydrophobicContact CG2-CE2 3.66Å; V75-F129 HydrophobicContact CG2-CG 4.03Å; V75-F129 HydrophobicContact CG2-CZ 3.48Å; V75-F129 VanDerWaalsContact CG2-CZ 3.48Å; V75-L132 HydrophobicContact CG1-CB 4.43Å; V75-L132 HydrophobicContact CG1-CD1 3.58Å; V75-L132 HydrophobicContact CG1-CG 4.44Å |
| 76 | F | 88.4 | Confident | 88.1 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.4 | 177.3 | -105.4 | 0 | 0 | 0 | 112.7 | F31 Y33 F72 L74 I78 A79 S80 I303 | F31-F76 HydrophobicContact CD1-CE2 4.41Å; F31-F76 HydrophobicContact CD1-CZ 4.36Å; Y33-F76 HydrophobicContact CD1-CB 3.57Å; Y33-F76 AromaticContact CD1-CD2 3.87Å; Y33-F76 HydrophobicContact CD1-CD2 3.87Å; Y33-F76 AromaticContact CD1-CG 3.87Å; Y33-F76 HydrophobicContact CD1-CG 3.87Å; Y33-F76 HydrophobicContact CE1-CB 3.54Å; Y33-F76 HydrophobicContact CE1-CG 4.35Å; Y33-F76 HydrophobicContact CG-CB 4.11Å; Y33-F76 AromaticContact CG-CD2 3.78Å; Y33-F76 HydrophobicContact CG-CD2 3.78Å; Y33-F76 HydrophobicContact CG-CG 4.25Å; F72-F76 PolarHBondContact O-N 3.11Å; L74-F76 VanDerWaalsContact C-N 3.34Å; L74-F76 PolarHBondContact O-N 3.24Å; F76-I78 PolarHBondContact O-N 2.86Å; F76-A79 PolarHBondContact O-N 3.11Å; F76-S80 VanDerWaalsContact O-CB 3.28Å; F76-S80 WeakPolarHBondContact O-CB 3.27Å; F76-S80 PolarHBondContact O-N 3.3Å; F76-S80 PolarHBondContact O-OG 2.92Å; F76-I303 HydrophobicContact CE1-CG2 4.11Å; F76-I303 HydrophobicContact CE2-CG2 4.46Å; F76-I303 HydrophobicContact CZ-CB 4.48Å; F76-I303 HydrophobicContact CZ-CG2 3.79Å |
| 77 | T | 87.4 | Confident | 88.8 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 178.4 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | S73 L74 V75 S80 F81 Q443 | S73-T77 WeakPolarHBondContact O-CB 3.44Å; S73-T77 PolarHBondContact O-N 2.98Å; S73-T77 PolarHBondContact O-OG1 2.91Å; L74-T77 WeakPolarHBondContact O-CB 3.45Å; L74-T77 PolarHBondContact O-N 3.3Å; L74-T77 VanDerWaalsContact O-N 3.15Å; V75-T77 PolarHBondContact O-N 2.83Å; T77-S80 PolarHBondContact O-OG 3.34Å; T77-S80 VanDerWaalsContact O-OG 3.13Å; T77-F81 WeakPolarHBondContact O-CB 3.28Å; T77-F81 PolarHBondContact O-N 2.87Å; T77-Q443 HydrophobicContact CG2-CG 4.3Å |
| 78 | I | 91.4 | Very high | 89.4 | Confident | 58 Ų | 58 | 30.9 Ų | 30.9 | 30% | 0.297 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -67.5 | -46.5 | 178.6 | -69.6 | 169.3 | 0 | 0 | 0 | 110.9 | L74 V75 F76 F81 L82 F129 | L74-I78 HydrophobicContact CD1-CD1 4.18Å; L74-I78 HydrophobicContact CD1-CG1 4.42Å; L74-I78 HydrophobicContact CG-CD1 3.99Å; L74-I78 WeakPolarHBondContact O-CG1 3.28Å; L74-I78 PolarHBondContact O-N 3.29Å; V75-I78 PolarHBondContact O-N 2.74Å; F76-I78 PolarHBondContact O-N 2.86Å; I78-F81 PolarHBondContact O-N 3.1Å; I78-L82 HydrophobicContact CG2-CD1 3.87Å; I78-L82 HydrophobicContact CG2-CG 4.4Å; I78-L82 WeakPolarHBondContact O-CB 3.25Å; I78-L82 WeakPolarHBondContact O-CG 3.21Å; I78-L82 PolarHBondContact O-N 3.34Å; I78-F129 HydrophobicContact CD1-CD1 3.65Å; I78-F129 HydrophobicContact CD1-CE1 3.73Å |
| 79 | A | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V30 V75 F76 L82 N83 L132 A136 | V30-A79 HydrophobicContact CG1-CB 4.1Å; V75-A79 WeakPolarHBondContact O-CB 3.48Å; V75-A79 PolarHBondContact O-N 3.1Å; F76-A79 PolarHBondContact O-N 3.11Å; A79-L82 PolarHBondContact O-N 2.83Å; A79-N83 WeakPolarHBondContact O-CB 3.34Å; A79-N83 PolarHBondContact O-N 3.24Å; A79-L132 HydrophobicContact CB-CB 4.01Å; A79-A136 HydrophobicContact CB-CB 4.49Å |
| 80 | S | 89.8 | Confident | 90.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.6 | -35 | 177.2 | 60.2 | 0 | 0 | 0 | 0 | 112.7 | F76 T77 N83 N84 | F76-S80 VanDerWaalsContact O-CB 3.28Å; F76-S80 WeakPolarHBondContact O-CB 3.27Å; F76-S80 PolarHBondContact O-N 3.3Å; F76-S80 PolarHBondContact O-OG 2.92Å; T77-S80 PolarHBondContact O-OG 3.34Å; T77-S80 VanDerWaalsContact O-OG 3.13Å; S80-N83 WeakPolarHBondContact O-CB 3.41Å; S80-N84 PolarHBondContact O-ND2 3.26Å |
| 81 | F | 91.1 | Very high | 90.7 | Very high | 43 Ų | 43 | 28.5 Ų | 28.5 | 19% | 0.189 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.9 | -51.4 | 172.4 | 173.2 | -105.8 | 0 | 0 | 0 | 111.2 | T77 I78 N83 N84 F85 A437 L441 | T77-F81 WeakPolarHBondContact O-CB 3.28Å; T77-F81 PolarHBondContact O-N 2.87Å; I78-F81 PolarHBondContact O-N 3.1Å; F81-N83 VanDerWaalsContact C-N 3.33Å; F81-N83 PolarHBondContact O-N 3.43Å; F81-N84 PolarHBondContact O-N 2.9Å; F81-N84 VanDerWaalsContact O-N 3.12Å; F81-F85 HydrophobicContact CD1-CB 4.35Å; F81-F85 HydrophobicContact CD2-CB 4.36Å; F81-F85 HydrophobicContact CE1-CB 3.94Å; F81-F85 HydrophobicContact CE1-CD1 4.26Å; F81-F85 AromaticContact CE1-CG 3.98Å; F81-F85 HydrophobicContact CE1-CG 3.98Å; F81-F85 HydrophobicContact CE2-CB 3.95Å; F81-F85 HydrophobicContact CE2-CD2 4.15Å; F81-F85 HydrophobicContact CE2-CG 4.2Å; F81-F85 HydrophobicContact CZ-CB 3.73Å; F81-F85 HydrophobicContact CZ-CD1 4.23Å; F81-F85 AromaticContact CZ-CD2 3.73Å; F81-F85 HydrophobicContact CZ-CD2 3.73Å; F81-F85 HydrophobicContact CZ-CE2 4.41Å; F81-F85 AromaticContact CZ-CG 3.61Å; F81-F85 HydrophobicContact CZ-CG 3.61Å; F81-F85 VanDerWaalsContact O-CB 3.3Å; F81-F85 WeakPolarHBondContact O-CB 3.29Å; F81-F85 PolarHBondContact O-N 2.77Å; F81-A437 HydrophobicContact CD2-CB 4.12Å; F81-A437 HydrophobicContact CE2-CB 4.24Å; F81-L441 HydrophobicContact CB-CD2 4.12Å; F81-L441 HydrophobicContact CD1-CD2 4.44Å; F81-L441 HydrophobicContact CD2-CD1 4Å; F81-L441 HydrophobicContact CD2-CD2 3.38Å; F81-L441 HydrophobicContact CD2-CG 3.56Å; F81-L441 HydrophobicContact CE2-CD1 3.54Å; F81-L441 HydrophobicContact CE2-CD2 3.84Å; F81-L441 HydrophobicContact CE2-CG 3.62Å; F81-L441 HydrophobicContact CG-CD2 3.72Å; F81-L441 HydrophobicContact CG-CG 4.39Å; F81-L441 HydrophobicContact CZ-CD1 4.02Å; F81-L441 HydrophobicContact CZ-CG 4.49Å |
| 82 | L | 94.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 31.5 Ų | 31.5 | 24% | 0.241 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | -178.6 | -72.8 | 175.6 | 0 | 0 | 0 | 112.6 | I78 A79 N84 L86 V137 | I78-L82 HydrophobicContact CG2-CD1 3.87Å; I78-L82 HydrophobicContact CG2-CG 4.4Å; I78-L82 WeakPolarHBondContact O-CB 3.25Å; I78-L82 WeakPolarHBondContact O-CG 3.21Å; I78-L82 PolarHBondContact O-N 3.34Å; A79-L82 PolarHBondContact O-N 2.83Å; L82-N84 PolarHBondContact O-N 3.46Å; L82-L86 HydrophobicContact CB-CD1 4.46Å; L82-L86 HydrophobicContact CD2-CD1 4.25Å; L82-L86 HydrophobicContact CD2-CG 4.34Å; L82-L86 VanDerWaalsContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CB 3.37Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 3.47Å; L82-V137 HydrophobicContact CB-CG2 4.16Å |
| 83 | N | 92.7 | Very high | 91 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.027 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -48.8 | -47.1 | 171.6 | -179.3 | 83.1 | 0 | 0 | 0 | 112.3 | A79 S80 F81 S87 A136 I140 | A79-N83 WeakPolarHBondContact O-CB 3.34Å; A79-N83 PolarHBondContact O-N 3.24Å; S80-N83 WeakPolarHBondContact O-CB 3.41Å; F81-N83 VanDerWaalsContact C-N 3.33Å; F81-N83 PolarHBondContact O-N 3.43Å; N83-S87 PolarHBondContact O-OG 3.33Å; N83-A136 HydrophobicContact CB-CB 3.92Å; N83-A136 PolarHBondContact OD1-O 3.12Å; N83-I140 WeakPolarHBondContact OD1-CB 3.48Å |
| 84 | N | 91.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -89.8 | -39.5 | -175 | -66.2 | -75.9 | 0 | 0 | 0 | 112.6 | S80 F81 L82 S87 Q296 Y300 T433 S434 A437 | S80-N84 PolarHBondContact O-ND2 3.26Å; F81-N84 PolarHBondContact O-N 2.9Å; F81-N84 VanDerWaalsContact O-N 3.12Å; L82-N84 PolarHBondContact O-N 3.46Å; N84-S87 WeakPolarHBondContact O-CB 3.36Å; N84-S87 PolarHBondContact O-N 3.27Å; N84-S87 VanDerWaalsContact O-N 3.16Å; N84-S87 PolarHBondContact O-OG 3.49Å; N84-Q296 PolarHBondContact ND2-NE2 3.36Å; N84-Q296 PolarHBondContact OD1-NE2 2.71Å; N84-Y300 PolarHBondContact ND2-OH 2.85Å; N84-T433 HydrophobicContact CB-CG2 3.8Å; N84-T433 WeakPolarHBondContact OD1-CG2 3.3Å; N84-S434 VanDerWaalsContact O-CA 3.31Å; N84-S434 WeakPolarHBondContact O-CA 3.4Å; N84-S434 PolarHBondContact O-N 2.87Å; N84-S434 PolarHBondContact O-OG 3.45Å; N84-A437 HydrophobicContact CB-CB 3.44Å; N84-A437 VanDerWaalsContact CB-CB 3.44Å |
| 85 | F | 92.9 | Very high | 91.4 | Very high | 85 Ų | 85 | 31.8 Ų | 31.8 | 37% | 0.373 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -67.6 | -39.8 | -179.1 | -176.5 | -101.8 | 0 | 0 | 0 | 112.4 | F81 S87 S434 A437 V438 | F81-F85 HydrophobicContact CD1-CB 4.35Å; F81-F85 HydrophobicContact CD2-CB 4.36Å; F81-F85 HydrophobicContact CE1-CB 3.94Å; F81-F85 HydrophobicContact CE1-CD1 4.26Å; F81-F85 AromaticContact CE1-CG 3.98Å; F81-F85 HydrophobicContact CE1-CG 3.98Å; F81-F85 HydrophobicContact CE2-CB 3.95Å; F81-F85 HydrophobicContact CE2-CD2 4.15Å; F81-F85 HydrophobicContact CE2-CG 4.2Å; F81-F85 HydrophobicContact CZ-CB 3.73Å; F81-F85 HydrophobicContact CZ-CD1 4.23Å; F81-F85 AromaticContact CZ-CD2 3.73Å; F81-F85 HydrophobicContact CZ-CD2 3.73Å; F81-F85 HydrophobicContact CZ-CE2 4.41Å; F81-F85 AromaticContact CZ-CG 3.61Å; F81-F85 HydrophobicContact CZ-CG 3.61Å; F81-F85 VanDerWaalsContact O-CB 3.3Å; F81-F85 WeakPolarHBondContact O-CB 3.29Å; F81-F85 PolarHBondContact O-N 2.77Å; F85-S87 PolarHBondContact O-N 3.18Å; F85-S434 PolarHBondContact O-OG 2.85Å; F85-A437 HydrophobicContact CB-CB 4.39Å; F85-V438 HydrophobicContact CD2-CG2 4.24Å; F85-V438 HydrophobicContact CE2-CG2 4.35Å |
| 86 | L | 94.1 | Very high | 91.3 | Very high | 46 Ų | 46 | 40 Ų | 40 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7.2 | 175.3 | -62.1 | 179.2 | 0 | 0 | 0 | 112.7 | L82 L88 I89 N90 V137 | L82-L86 HydrophobicContact CB-CD1 4.46Å; L82-L86 HydrophobicContact CD2-CD1 4.25Å; L82-L86 HydrophobicContact CD2-CG 4.34Å; L82-L86 VanDerWaalsContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CB 3.37Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 3.47Å; L86-L88 PolarHBondContact O-N 3.31Å; L86-I89 HydrophobicContact CD2-CD1 3.8Å; L86-I89 PolarHBondContact O-N 3.35Å; L86-I89 VanDerWaalsContact O-N 3.1Å; L86-N90 WeakPolarHBondContact O-CB 3.27Å; L86-N90 PolarHBondContact O-N 3.24Å; L86-N90 PolarHBondContact O-ND2 2.88Å; L86-V137 HydrophobicContact CB-CG1 4.47Å; L86-V137 HydrophobicContact CD1-CG1 4.11Å; L86-V137 HydrophobicContact CD1-CG2 3.73Å |
| 87 | S | 90.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.3 | -28.6 | 174.9 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | N83 N84 F85 G91 G430 | N83-S87 PolarHBondContact O-OG 3.33Å; N84-S87 WeakPolarHBondContact O-CB 3.36Å; N84-S87 PolarHBondContact O-N 3.27Å; N84-S87 VanDerWaalsContact O-N 3.16Å; N84-S87 PolarHBondContact O-OG 3.49Å; F85-S87 PolarHBondContact O-N 3.18Å; S87-G91 VanDerWaalsContact O-CA 3.28Å; S87-G91 WeakPolarHBondContact O-CA 3.46Å; S87-G91 PolarHBondContact O-N 2.96Å; S87-G430 VanDerWaalsContact C-CA 3.48Å; S87-G430 WeakPolarHBondContact O-CA 3.31Å |
| 88 | L | 92.1 | Very high | 91.4 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.3 | -46.6 | 171.9 | 174.7 | 61.2 | 0 | 0 | 0 | 112.2 | L86 G91 Y92 L431 S434 | L86-L88 PolarHBondContact O-N 3.31Å; L88-G91 WeakPolarHBondContact O-CA 3.35Å; L88-G91 PolarHBondContact O-N 3.44Å; L88-Y92 PolarHBondContact O-N 3.25Å; L88-L431 HydrophobicContact CD1-CB 3.96Å; L88-L431 HydrophobicContact CD1-CD1 4.11Å; L88-L431 HydrophobicContact CD2-CD1 3.99Å; L88-S434 VanDerWaalsContact CB-OG 3.27Å; L88-S434 WeakPolarHBondContact CB-OG 3.33Å; L88-S434 PolarHBondContact N-OG 3.38Å |
| 89 | I | 93.4 | Very high | 91.4 | Very high | 100 Ų | 100 | 42.3 Ų | 42.3 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 179.9 | -59.8 | -177.6 | 0 | 0 | 0 | 109.6 | L86 G91 Y92 L93 | L86-I89 HydrophobicContact CD2-CD1 3.8Å; L86-I89 PolarHBondContact O-N 3.35Å; L86-I89 VanDerWaalsContact O-N 3.1Å; I89-G91 VanDerWaalsContact C-N 3.28Å; I89-G91 PolarHBondContact O-N 3.27Å; I89-Y92 PolarHBondContact O-N 3Å; I89-L93 WeakPolarHBondContact O-CB 3.42Å; I89-L93 PolarHBondContact O-N 3.44Å |
| 90 | N | 91.9 | Very high | 91.4 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 174.4 | -67.9 | -19.2 | 0 | 0 | 0 | 111.5 | L86 L93 F94 L141 | L86-N90 WeakPolarHBondContact O-CB 3.27Å; L86-N90 PolarHBondContact O-N 3.24Å; L86-N90 PolarHBondContact O-ND2 2.88Å; N90-L93 PolarHBondContact O-N 3.13Å; N90-F94 WeakPolarHBondContact O-CB 3.17Å; N90-F94 PolarHBondContact O-N 3.47Å; N90-L141 HydrophobicContact CB-CD2 3.57Å; N90-L141 HydrophobicContact CB-CG 4.25Å; N90-L141 VanDerWaalsContact CG-CD2 3.49Å |
| 91 | G | 91.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -48 | -56.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S87 L88 I89 D95 M144 G426 | S87-G91 VanDerWaalsContact O-CA 3.28Å; S87-G91 WeakPolarHBondContact O-CA 3.46Å; S87-G91 PolarHBondContact O-N 2.96Å; L88-G91 WeakPolarHBondContact O-CA 3.35Å; L88-G91 PolarHBondContact O-N 3.44Å; I89-G91 VanDerWaalsContact C-N 3.28Å; I89-G91 PolarHBondContact O-N 3.27Å; G91-D95 PolarHBondContact O-N 3.5Å; G91-D95 VanDerWaalsContact O-N 3.1Å; G91-M144 VanDerWaalsContact CA-CE 3.43Å; G91-G426 VanDerWaalsContact CA-O 3.25Å; G91-G426 WeakPolarHBondContact CA-O 3.28Å |
| 92 | Y | 91 | Very high | 91.7 | Very high | 120 Ų | 120 | 46 Ų | 46 | 47% | 0.471 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.8 | -43.8 | 177.7 | 177.9 | -87.6 | 0 | 0 | 0 | 112.3 | L88 I89 F94 D95 R96 | L88-Y92 PolarHBondContact O-N 3.25Å; I89-Y92 PolarHBondContact O-N 3Å; Y92-F94 VanDerWaalsContact C-N 3.33Å; Y92-F94 PolarHBondContact O-N 3.4Å; Y92-D95 PolarHBondContact O-N 3.11Å; Y92-R96 HydrophobicContact CE1-CB 4.25Å; Y92-R96 HydrophobicContact CE1-CG 4.44Å; Y92-R96 VanDerWaalsContact O-CB 3.29Å; Y92-R96 WeakPolarHBondContact O-CB 3.18Å; Y92-R96 PolarHBondContact O-N 3.44Å |
| 93 | L | 91.8 | Very high | 91.7 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 17% | 0.173 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 179.8 | -170.9 | 78.8 | 0 | 0 | 0 | 110.8 | I89 N90 R96 F97 L105 | I89-L93 WeakPolarHBondContact O-CB 3.42Å; I89-L93 PolarHBondContact O-N 3.44Å; N90-L93 PolarHBondContact O-N 3.13Å; L93-R96 PolarHBondContact O-N 3.48Å; L93-F97 HydrophobicContact CD1-CD2 3.38Å; L93-F97 HydrophobicContact CD1-CE2 3.71Å; L93-F97 HydrophobicContact CD1-CG 4.33Å; L93-F97 HydrophobicContact CG-CD2 4.08Å; L93-F97 WeakPolarHBondContact O-CB 3.33Å; L93-F97 PolarHBondContact O-N 3.25Å; L93-L105 HydrophobicContact CD2-CD2 3.32Å |
| 94 | F | 90.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -55.9 | 174.8 | -177.7 | -108.5 | 0 | 0 | 0 | 111.1 | N90 Y92 R96 G98 T102 M144 T145 Q148 H214 | N90-F94 WeakPolarHBondContact O-CB 3.17Å; N90-F94 PolarHBondContact O-N 3.47Å; Y92-F94 VanDerWaalsContact C-N 3.33Å; Y92-F94 PolarHBondContact O-N 3.4Å; F94-R96 PolarHBondContact O-N 3.4Å; F94-R96 VanDerWaalsContact O-N 3.14Å; F94-G98 VanDerWaalsContact O-CA 3.28Å; F94-G98 WeakPolarHBondContact O-CA 3.4Å; F94-G98 PolarHBondContact O-N 2.77Å; F94-T102 VanDerWaalsContact CA-OG1 3.3Å; F94-T102 WeakPolarHBondContact CA-OG1 3.37Å; F94-T102 HydrophobicContact CB-CG2 4.14Å; F94-T102 HydrophobicContact CD2-CG2 4.1Å; F94-M144 HydrophobicContact CB-CE 3.27Å; F94-M144 HydrophobicContact CB-SD 4.36Å; F94-M144 HydrophobicContact CD1-CE 3.55Å; F94-M144 HydrophobicContact CE1-CE 4.5Å; F94-M144 HydrophobicContact CG-CE 3.55Å; F94-T145 HydrophobicContact CD2-CG2 4.02Å; F94-T145 HydrophobicContact CE2-CG2 4.03Å; F94-Q148 HydrophobicContact CZ-CB 4.49Å; F94-H214 AromaticContact CE1-CE1 3.94Å; F94-H214 AromaticContact CE1-ND1 3.74Å; F94-H214 AromaticContact CZ-ND1 3.7Å; F94-H214 PolarHBondContact O-CE1 2.64Å; F94-H214 PolarHBondContact O-NE2 2.92Å |
| 95 | D | 88.4 | Confident | 92.1 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -23 | -176.9 | -75 | -5.8 | 0 | 0 | 0 | 113.4 | G91 Y92 G426 K427 | G91-D95 PolarHBondContact O-N 3.5Å; G91-D95 VanDerWaalsContact O-N 3.1Å; Y92-D95 PolarHBondContact O-N 3.11Å; D95-G426 VanDerWaalsContact OD1-CA 3.29Å; D95-G426 WeakPolarHBondContact OD1-CA 3.49Å; D95-G426 PolarHBondContact OD1-N 3.36Å; D95-G426 VanDerWaalsContact OD1-N 3.11Å; D95-G426 PolarHBondContact OD2-N 3.41Å; D95-K427 HydrophobicContact CB-CG 4.5Å; D95-K427 VanDerWaalsContact OD2-CG 3.29Å; D95-K427 WeakPolarHBondContact OD2-CG 3.36Å; D95-K427 PolarHBondContact OD2-N 2.88Å |
| 96 | R | 88.8 | Confident | 92.3 | Very high | 175 Ų | 175 | 45.4 Ų | 45.4 | 66% | 0.66 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -97.8 | -45.4 | -177.1 | -177.5 | 60.5 | 174.8 | -173.8 | 1.1 | 113.7 | Y92 L93 F94 | Y92-R96 HydrophobicContact CE1-CB 4.25Å; Y92-R96 HydrophobicContact CE1-CG 4.44Å; Y92-R96 VanDerWaalsContact O-CB 3.29Å; Y92-R96 WeakPolarHBondContact O-CB 3.18Å; Y92-R96 PolarHBondContact O-N 3.44Å; L93-R96 PolarHBondContact O-N 3.48Å; F94-R96 PolarHBondContact O-N 3.4Å; F94-R96 VanDerWaalsContact O-N 3.14Å |
| 97 | F | 89.1 | Confident | 92.4 | Very high | 115 Ų | 115 | 43.5 Ų | 43.5 | 50% | 0.504 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -106.3 | -6.7 | -172.3 | -61.7 | -79.8 | 0 | 0 | 0 | 113.1 | L93 V101 | L93-F97 HydrophobicContact CD1-CD2 3.38Å; L93-F97 HydrophobicContact CD1-CE2 3.71Å; L93-F97 HydrophobicContact CD1-CG 4.33Å; L93-F97 HydrophobicContact CG-CD2 4.08Å; L93-F97 WeakPolarHBondContact O-CB 3.33Å; L93-F97 PolarHBondContact O-N 3.25Å; F97-V101 HydrophobicContact CB-CB 4.02Å; F97-V101 HydrophobicContact CB-CG1 4.15Å; F97-V101 HydrophobicContact CB-CG2 4.25Å |
| 98 | G | 89.6 | Confident | 92.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | 80.7 | -171.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F94 T102 T213 | F94-G98 VanDerWaalsContact O-CA 3.28Å; F94-G98 WeakPolarHBondContact O-CA 3.4Å; F94-G98 PolarHBondContact O-N 2.77Å; G98-T102 WeakPolarHBondContact O-CB 3.4Å; G98-T102 PolarHBondContact O-N 2.96Å; G98-T102 PolarHBondContact O-OG1 3.16Å; G98-T213 CarbonylContact C-O 3.29Å; G98-T213 WeakPolarHBondContact CA-O 3.33Å |
| 99 | T | 91.2 | Very high | 93 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.4 | -44.1 | -168.4 | -60 | 0 | 0 | 0 | 0 | 112.2 | T102 R103 T145 Q148 M210 P211 R212 T213 | T99-T102 PolarHBondContact O-N 3.44Å; T99-R103 HydrophobicContact CG2-CG 4.1Å; T99-R103 WeakPolarHBondContact O-CB 3.49Å; T99-R103 VanDerWaalsContact O-CG 3.23Å; T99-R103 WeakPolarHBondContact O-CG 3.32Å; T99-R103 PolarHBondContact O-N 3.03Å; T99-T145 HydrophobicContact CG2-CG2 4.48Å; T99-Q148 VanDerWaalsContact CG2-NE2 3.26Å; T99-Q148 PolarHBondContact OG1-NE2 2.9Å; T99-Q148 PolarHBondContact OG1-OE1 3.03Å; T99-M210 HydrophobicContact CG2-CB 4.36Å; T99-M210 HydrophobicContact CG2-SD 4.02Å; T99-P211 WeakPolarHBondContact CB-O 3.43Å; T99-R212 PolarHBondContact N-O 3.13Å; T99-T213 VanDerWaalsContact CB-O 3.3Å; T99-T213 WeakPolarHBondContact CB-O 3.46Å; T99-T213 PolarHBondContact N-O 2.97Å; T99-T213 PolarHBondContact OG1-O 3.31Å |
| 100 | M | 92.4 | Very high | 93.2 | Very high | 53 Ų | 53 | 40.5 Ų | 40.5 | 26% | 0.261 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.2 | -51.7 | -174 | 179.2 | -167.8 | 173.7 | 0 | 0 | 112.1 | T102 R103 L104 F207 R212 | M100-T102 VanDerWaalsContact C-N 3.35Å; M100-T102 PolarHBondContact O-N 2.67Å; M100-R103 PolarHBondContact O-N 3.22Å; M100-L104 HydrophobicContact CE-CD1 3.85Å; M100-L104 HydrophobicContact CG-CD1 4.21Å; M100-L104 WeakPolarHBondContact O-CG 3.4Å; M100-L104 PolarHBondContact O-N 3.34Å; M100-F207 HydrophobicContact CE-CD1 4.34Å; M100-F207 HydrophobicContact CE-CE1 3.39Å; M100-F207 HydrophobicContact CE-CZ 3.79Å; M100-R212 PolarHBondContact N-O 2.86Å; M100-R212 HydrophobicContact SD-CG 4.41Å |
| 101 | V | 93.6 | Very high | 93.4 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 41% | 0.412 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.4 | -45.9 | -178.3 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | F97 R103 L104 L105 | F97-V101 HydrophobicContact CB-CB 4.02Å; F97-V101 HydrophobicContact CB-CG1 4.15Å; F97-V101 HydrophobicContact CB-CG2 4.25Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 2.78Å; V101-L104 PolarHBondContact O-N 3.33Å; V101-L105 PolarHBondContact O-N 2.95Å |
| 102 | T | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 179 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | F94 G98 T99 M100 G106 L141 T145 | F94-T102 VanDerWaalsContact CA-OG1 3.3Å; F94-T102 WeakPolarHBondContact CA-OG1 3.37Å; F94-T102 HydrophobicContact CB-CG2 4.14Å; F94-T102 HydrophobicContact CD2-CG2 4.1Å; G98-T102 WeakPolarHBondContact O-CB 3.4Å; G98-T102 PolarHBondContact O-N 2.96Å; G98-T102 PolarHBondContact O-OG1 3.16Å; T99-T102 PolarHBondContact O-N 3.44Å; M100-T102 VanDerWaalsContact C-N 3.35Å; M100-T102 PolarHBondContact O-N 2.67Å; T102-G106 PolarHBondContact O-N 3.4Å; T102-L141 HydrophobicContact CG2-CD2 3.37Å; T102-T145 HydrophobicContact CG2-CG2 3.67Å |
| 103 | R | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.7 | -44.7 | 176.5 | -74.7 | -175.4 | 63.4 | 79 | 2.9 | 112.5 | E22 T99 M100 V101 L105 G106 V107 T145 R205 T206 | E22-R103 VanDerWaalsContact CD-NH2 3.34Å; E22-R103 IonicContact OE1-CZ 2.79Å; E22-R103 IonicContact OE1-NH1 3.19Å; E22-R103 IonicContact OE1-NH2 3.39Å; E22-R103 PolarHBondContact OE1-NH2 3.35Å; E22-R103 IonicContact OE2-CZ 3.61Å; E22-R103 IonicContact OE2-NH1 2.78Å; E22-R103 PolarHBondContact OE2-NH1 3.06Å; E22-R103 IonicContact OE2-NH2 3.9Å; E22-R103 PolarHBondContact OE2-NH2 3.18Å; E22-R103 VanDerWaalsContact OE2-NH2 3.09Å; T99-R103 HydrophobicContact CG2-CG 4.1Å; T99-R103 WeakPolarHBondContact O-CB 3.49Å; T99-R103 VanDerWaalsContact O-CG 3.23Å; T99-R103 WeakPolarHBondContact O-CG 3.32Å; T99-R103 PolarHBondContact O-N 3.03Å; M100-R103 PolarHBondContact O-N 3.22Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 2.78Å; R103-L105 VanDerWaalsContact C-N 3.31Å; R103-L105 PolarHBondContact O-N 3.22Å; R103-G106 PolarHBondContact O-N 3.35Å; R103-V107 WeakPolarHBondContact O-CG2 3.48Å; R103-V107 PolarHBondContact O-N 3.17Å; R103-T145 HydrophobicContact CG-CG2 3.52Å; R103-T145 VanDerWaalsContact CG-OG1 3.32Å; R103-T145 WeakPolarHBondContact CG-OG1 3.28Å; R103-T145 PolarHBondContact NH1-OG1 3.17Å; R103-T145 VanDerWaalsContact NH1-OG1 3.09Å; R103-R205 VanDerWaalsContact NH1-NH1 3.16Å; R103-T206 HydrophobicContact CB-CG2 3.65Å; R103-T206 HydrophobicContact CG-CG2 4.47Å; R103-T206 PolarHBondContact NE-OG1 3.44Å; R103-T206 PolarHBondContact NH2-OG1 3.46Å |
| 104 | L | 96.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 37 Ų | 37 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.5 | -70.8 | 175.8 | 0 | 0 | 0 | 111.5 | M100 V101 S108 T206 F207 | M100-L104 HydrophobicContact CE-CD1 3.85Å; M100-L104 HydrophobicContact CG-CD1 4.21Å; M100-L104 WeakPolarHBondContact O-CG 3.4Å; M100-L104 PolarHBondContact O-N 3.34Å; V101-L104 PolarHBondContact O-N 3.33Å; L104-S108 WeakPolarHBondContact O-CB 3.48Å; L104-S108 PolarHBondContact O-N 3.12Å; L104-S108 PolarHBondContact O-OG 3.47Å; L104-T206 HydrophobicContact CD2-CG2 4.49Å; L104-F207 HydrophobicContact CD1-CZ 4.43Å; L104-F207 HydrophobicContact CD2-CE2 4.09Å; L104-F207 HydrophobicContact CD2-CZ 4.38Å |
| 105 | L | 96.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 39.5 Ų | 39.5 | 34% | 0.335 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60 | -49.7 | 172.1 | 179.9 | 64.9 | 0 | 0 | 0 | 111.1 | L93 V101 R103 V107 S108 L109 L141 | L93-L105 HydrophobicContact CD2-CD2 3.32Å; V101-L105 PolarHBondContact O-N 2.95Å; R103-L105 VanDerWaalsContact C-N 3.31Å; R103-L105 PolarHBondContact O-N 3.22Å; L105-V107 PolarHBondContact O-N 3.49Å; L105-S108 PolarHBondContact O-N 3.06Å; L105-S108 PolarHBondContact O-OG 3.48Å; L105-L109 HydrophobicContact CD1-CD1 4.18Å; L105-L109 HydrophobicContact CD1-CG 4.25Å; L105-L109 HydrophobicContact CG-CD1 4.06Å; L105-L109 WeakPolarHBondContact O-CG 3.45Å; L105-L109 PolarHBondContact O-N 3.24Å; L105-L141 HydrophobicContact CD2-CD1 4.36Å; L105-L141 HydrophobicContact CG-CD1 4.31Å |
| 106 | G | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T102 R103 L109 Y110 G138 | T102-G106 PolarHBondContact O-N 3.4Å; R103-G106 PolarHBondContact O-N 3.35Å; G106-L109 PolarHBondContact O-N 3.08Å; G106-Y110 WeakPolarHBondContact O-CB 3.1Å; G106-Y110 PolarHBondContact O-N 3.32Å; G106-G138 VanDerWaalsContact O-CA 3.3Å; G106-G138 WeakPolarHBondContact O-CA 3.3Å |
| 107 | V | 96.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | R103 L105 L109 Y110 T111 L142 H202 V203 | R103-V107 WeakPolarHBondContact O-CG2 3.48Å; R103-V107 PolarHBondContact O-N 3.17Å; L105-V107 PolarHBondContact O-N 3.49Å; V107-L109 PolarHBondContact O-N 3.49Å; V107-Y110 PolarHBondContact O-N 3.11Å; V107-T111 PolarHBondContact O-N 3.34Å; V107-T111 PolarHBondContact O-OG1 3.27Å; V107-L142 HydrophobicContact CG2-CD2 4.06Å; V107-H202 HydrophobicContact CB-CB 4.49Å; V107-H202 HydrophobicContact CG1-CB 4.15Å; V107-H202 HydrophobicContact CG2-CB 3.46Å; V107-H202 VanDerWaalsContact CG2-CB 3.46Å; V107-V203 HydrophobicContact CG1-CG2 3.96Å |
| 108 | S | 97.2 | Very high | 95.7 | Very high | 56 Ų | 56 | 27.8 Ų | 27.8 | 39% | 0.392 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 179.5 | 70.5 | 0 | 0 | 0 | 0 | 112.9 | L104 L105 T112 | L104-S108 WeakPolarHBondContact O-CB 3.48Å; L104-S108 PolarHBondContact O-N 3.12Å; L104-S108 PolarHBondContact O-OG 3.47Å; L105-S108 PolarHBondContact O-N 3.06Å; L105-S108 PolarHBondContact O-OG 3.48Å; S108-T112 WeakPolarHBondContact O-CB 3.28Å; S108-T112 PolarHBondContact O-N 2.7Å; S108-T112 PolarHBondContact O-OG1 3.49Å |
| 109 | L | 97.2 | Very high | 95.9 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 176.1 | -71.5 | 174.2 | 0 | 0 | 0 | 111.1 | L105 G106 V107 T112 G113 C134 V137 L141 | L105-L109 HydrophobicContact CD1-CD1 4.18Å; L105-L109 HydrophobicContact CD1-CG 4.25Å; L105-L109 HydrophobicContact CG-CD1 4.06Å; L105-L109 WeakPolarHBondContact O-CG 3.45Å; L105-L109 PolarHBondContact O-N 3.24Å; G106-L109 PolarHBondContact O-N 3.08Å; V107-L109 PolarHBondContact O-N 3.49Å; L109-T112 PolarHBondContact O-N 3.19Å; L109-G113 PolarHBondContact O-N 3.07Å; L109-C134 WeakPolarHBondContact O-CB 3.5Å; L109-V137 HydrophobicContact CD1-CG1 3.83Å; L109-L141 HydrophobicContact CD1-CD1 4.03Å |
| 110 | Y | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 178.7 | -168.6 | -90.6 | 0 | 0 | 0 | 111.7 | F26 V29 G106 V107 T112 G113 T114 I135 | F26-Y110 HydrophobicContact CB-CE1 4.24Å; F26-Y110 HydrophobicContact CB-CE2 4.32Å; F26-Y110 AromaticContact CD1-CE1 3.77Å; F26-Y110 HydrophobicContact CD1-CE1 3.77Å; F26-Y110 AromaticContact CD1-CZ 3.94Å; F26-Y110 HydrophobicContact CG-CE1 4.46Å; F26-Y110 WeakPolarHBondContact O-CE2 3.31Å; F26-Y110 PolarHBondContact O-OH 3.45Å; V29-Y110 HydrophobicContact CG2-CE2 4.29Å; G106-Y110 WeakPolarHBondContact O-CB 3.1Å; G106-Y110 PolarHBondContact O-N 3.32Å; V107-Y110 PolarHBondContact O-N 3.11Å; Y110-T112 VanDerWaalsContact C-N 3.33Å; Y110-T112 PolarHBondContact O-N 3.45Å; Y110-G113 PolarHBondContact O-N 2.9Å; Y110-T114 HydrophobicContact CD1-CG2 4.07Å; Y110-T114 HydrophobicContact CE1-CG2 3.65Å; Y110-T114 PolarHBondContact O-N 3.23Å; Y110-T114 PolarHBondContact O-OG1 3.43Å; Y110-I135 HydrophobicContact CD2-CG2 4.08Å; Y110-I135 HydrophobicContact CE2-CG2 3.58Å |
| 111 | T | 97.2 | Very high | 96.2 | Very high | 31 Ų | 31 | 34 Ų | 34 | 19% | 0.19 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 177.8 | -46.9 | 0 | 0 | 0 | 0 | 111.8 | V107 G113 T114 L115 S199 | V107-T111 PolarHBondContact O-N 3.34Å; V107-T111 PolarHBondContact O-OG1 3.27Å; T111-G113 VanDerWaalsContact C-N 3.33Å; T111-G113 PolarHBondContact O-N 2.77Å; T111-T114 WeakPolarHBondContact CA-OG1 3.28Å; T111-T114 PolarHBondContact O-N 2.97Å; T111-T114 PolarHBondContact O-OG1 3.3Å; T111-L115 HydrophobicContact CG2-CD1 4.04Å; T111-L115 HydrophobicContact CG2-CG 4.41Å; T111-L115 WeakPolarHBondContact O-CB 3.31Å; T111-L115 VanDerWaalsContact O-CG 3.23Å; T111-L115 WeakPolarHBondContact O-CG 3.48Å; T111-L115 PolarHBondContact O-N 3.16Å; T111-S199 WeakPolarHBondContact OG1-CB 3.42Å; T111-S199 PolarHBondContact OG1-OG 3.39Å |
| 112 | T | 97.5 | Very high | 96 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 35% | 0.35 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 177 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | S108 L109 Y110 L115 F116 | S108-T112 WeakPolarHBondContact O-CB 3.28Å; S108-T112 PolarHBondContact O-N 2.7Å; S108-T112 PolarHBondContact O-OG1 3.49Å; L109-T112 PolarHBondContact O-N 3.19Å; Y110-T112 VanDerWaalsContact C-N 3.33Å; Y110-T112 PolarHBondContact O-N 3.45Å; T112-L115 PolarHBondContact O-N 3.31Å; T112-F116 HydrophobicContact CG2-CD1 4.48Å; T112-F116 HydrophobicContact CG2-CD2 4.46Å; T112-F116 HydrophobicContact CG2-CE1 4.07Å; T112-F116 HydrophobicContact CG2-CE2 4.04Å; T112-F116 HydrophobicContact CG2-CZ 3.83Å; T112-F116 WeakPolarHBondContact O-CG 3.05Å; T112-F116 PolarHBondContact O-N 3.27Å |
| 113 | G | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L109 Y110 T111 F116 V117 A131 | L109-G113 PolarHBondContact O-N 3.07Å; Y110-G113 PolarHBondContact O-N 2.9Å; T111-G113 VanDerWaalsContact C-N 3.33Å; T111-G113 PolarHBondContact O-N 2.77Å; G113-F116 PolarHBondContact O-N 2.78Å; G113-V117 PolarHBondContact O-N 3.34Å; G113-A131 WeakPolarHBondContact CA-O 3.39Å |
| 114 | T | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.9 | -36.3 | 177 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | Y110 T111 V117 A118 I135 F192 L195 S196 | Y110-T114 HydrophobicContact CD1-CG2 4.07Å; Y110-T114 HydrophobicContact CE1-CG2 3.65Å; Y110-T114 PolarHBondContact O-N 3.23Å; Y110-T114 PolarHBondContact O-OG1 3.43Å; T111-T114 WeakPolarHBondContact CA-OG1 3.28Å; T111-T114 PolarHBondContact O-N 2.97Å; T111-T114 PolarHBondContact O-OG1 3.3Å; T114-V117 PolarHBondContact O-N 3.34Å; T114-A118 WeakPolarHBondContact O-CB 3.33Å; T114-A118 PolarHBondContact O-N 2.68Å; T114-I135 HydrophobicContact CG2-CD1 3.93Å; T114-I135 HydrophobicContact CG2-CG1 4.16Å; T114-F192 HydrophobicContact CG2-CD1 4.27Å; T114-L195 HydrophobicContact CG2-CB 4.26Å; T114-S196 VanDerWaalsContact CB-OG 3.3Å; T114-S196 WeakPolarHBondContact CB-OG 3.09Å; T114-S196 PolarHBondContact OG1-OG 2.89Å |
| 115 | L | 97.3 | Very high | 95.4 | Very high | 61 Ų | 61 | 40.9 Ų | 40.9 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.7 | -38.8 | 174 | -71.6 | 172 | 0 | 0 | 0 | 112.1 | T111 T112 V117 A118 F119 L193 | T111-L115 HydrophobicContact CG2-CD1 4.04Å; T111-L115 HydrophobicContact CG2-CG 4.41Å; T111-L115 WeakPolarHBondContact O-CB 3.31Å; T111-L115 VanDerWaalsContact O-CG 3.23Å; T111-L115 WeakPolarHBondContact O-CG 3.48Å; T111-L115 PolarHBondContact O-N 3.16Å; T112-L115 PolarHBondContact O-N 3.31Å; L115-V117 VanDerWaalsContact C-N 3.34Å; L115-V117 PolarHBondContact O-N 3.1Å; L115-A118 PolarHBondContact O-N 2.98Å; L115-F119 HydrophobicContact CD2-CE2 4.14Å; L115-F119 VanDerWaalsContact O-CD2 3.25Å; L115-F119 WeakPolarHBondContact O-CD2 3.41Å; L115-F119 PolarHBondContact O-N 2.85Å; L115-L193 HydrophobicContact CD2-CD2 4.2Å |
| 116 | F | 97.3 | Very high | 95.3 | Very high | 74 Ų | 74 | 43.8 Ų | 43.8 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 175.1 | -75.8 | -4.3 | 0 | 0 | 0 | 112.6 | T112 G113 S120 M127 P130 A131 | T112-F116 HydrophobicContact CG2-CD1 4.48Å; T112-F116 HydrophobicContact CG2-CD2 4.46Å; T112-F116 HydrophobicContact CG2-CE1 4.07Å; T112-F116 HydrophobicContact CG2-CE2 4.04Å; T112-F116 HydrophobicContact CG2-CZ 3.83Å; T112-F116 WeakPolarHBondContact O-CG 3.05Å; T112-F116 PolarHBondContact O-N 3.27Å; G113-F116 PolarHBondContact O-N 2.78Å; F116-S120 WeakPolarHBondContact O-CB 3.43Å; F116-S120 PolarHBondContact O-N 2.91Å; F116-S120 VanDerWaalsContact O-N 3.09Å; F116-M127 HydrophobicContact CB-CE 4.43Å; F116-M127 HydrophobicContact CD1-CE 4.27Å; F116-M127 HydrophobicContact CG-CE 4.42Å; F116-P130 HydrophobicContact CD2-CB 4.22Å; F116-P130 HydrophobicContact CD2-CG 4.3Å; F116-P130 HydrophobicContact CE2-CB 4.18Å; F116-P130 HydrophobicContact CE2-CG 4.45Å; F116-A131 HydrophobicContact CB-CB 3.53Å; F116-A131 HydrophobicContact CD2-CB 4.49Å |
| 117 | V | 96.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 172 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | G113 T114 L115 F119 S120 A131 I135 L188 F192 | G113-V117 PolarHBondContact O-N 3.34Å; T114-V117 PolarHBondContact O-N 3.34Å; L115-V117 VanDerWaalsContact C-N 3.34Å; L115-V117 PolarHBondContact O-N 3.1Å; V117-F119 PolarHBondContact O-N 3.03Å; V117-S120 PolarHBondContact O-N 3.1Å; V117-S120 PolarHBondContact O-OG 3.12Å; V117-A131 HydrophobicContact CG2-CB 3.61Å; V117-I135 HydrophobicContact CG2-CD1 4.15Å; V117-L188 HydrophobicContact CG1-CD2 4.25Å; V117-L188 HydrophobicContact CG1-CG 4.44Å; V117-F192 HydrophobicContact CB-CB 4.5Å; V117-F192 HydrophobicContact CB-CD1 3.63Å; V117-F192 HydrophobicContact CB-CD2 4.3Å; V117-F192 HydrophobicContact CB-CE1 3.82Å; V117-F192 HydrophobicContact CB-CE2 4.48Å; V117-F192 HydrophobicContact CB-CG 3.89Å; V117-F192 HydrophobicContact CB-CZ 4.25Å; V117-F192 HydrophobicContact CG1-CD1 3.83Å; V117-F192 HydrophobicContact CG1-CD2 3.62Å; V117-F192 HydrophobicContact CG1-CE1 3.79Å; V117-F192 HydrophobicContact CG1-CE2 3.61Å; V117-F192 HydrophobicContact CG1-CG 3.73Å; V117-F192 HydrophobicContact CG1-CZ 3.69Å; V117-F192 HydrophobicContact CG2-CD1 4.16Å; V117-F192 HydrophobicContact CG2-CE1 3.91Å; V117-F192 HydrophobicContact CG2-CZ 4.4Å |
| 118 | A | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -33.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | T114 L115 Q189 F192 L193 | T114-A118 WeakPolarHBondContact O-CB 3.33Å; T114-A118 PolarHBondContact O-N 2.68Å; L115-A118 PolarHBondContact O-N 2.98Å; A118-Q189 WeakPolarHBondContact O-CB 3.27Å; A118-Q189 WeakPolarHBondContact O-CG 3.38Å; A118-F192 HydrophobicContact CB-CB 3.85Å; A118-L193 HydrophobicContact CB-CD2 4.08Å; A118-L193 HydrophobicContact CB-CG 4.04Å |
| 119 | F | 95 | Very high | 95.1 | Very high | 125 Ų | 125 | 45.3 Ų | 45.3 | 55% | 0.548 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 5.2 | 179 | -65.2 | -65.6 | 0 | 0 | 0 | 113.9 | L115 V117 L193 | L115-F119 HydrophobicContact CD2-CE2 4.14Å; L115-F119 VanDerWaalsContact O-CD2 3.25Å; L115-F119 WeakPolarHBondContact O-CD2 3.41Å; L115-F119 PolarHBondContact O-N 2.85Å; V117-F119 PolarHBondContact O-N 3.03Å; F119-L193 HydrophobicContact CZ-CD2 4.43Å |
| 120 | S | 94.8 | Very high | 95 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 11% | 0.105 | 25% | 0.25 | C | S | . | . | trans | -76.4 | 154.9 | 172.9 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | Y45 F116 V117 | Y45-S120 PolarHBondContact OH-O 3.49Å; Y45-S120 PolarHBondContact OH-OG 2.8Å; F116-S120 WeakPolarHBondContact O-CB 3.43Å; F116-S120 PolarHBondContact O-N 2.91Å; F116-S120 VanDerWaalsContact O-N 3.09Å; V117-S120 PolarHBondContact O-N 3.1Å; V117-S120 PolarHBondContact O-OG 3.12Å | ||
| 121 | S | 93.3 | Very high | 95 | Very high | 46 Ų | 46 | 45.8 Ų | 45.8 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | trans | -144.1 | 173.5 | 172.8 | 69.6 | 0 | 0 | 0 | 0 | 109.5 | Y45 A123 Y124 S125 | Y45-S121 WeakPolarHBondContact CE1-O 3.23Å; Y45-S121 WeakPolarHBondContact OH-CA 3.44Å; Y45-S121 PolarHBondContact OH-N 2.88Å; S121-A123 PolarHBondContact O-N 3.02Å; S121-Y124 CarbonylContact O-C 3.55Å; S121-Y124 WeakPolarHBondContact O-CA 3.46Å; S121-Y124 PolarHBondContact O-N 3.47Å; S121-Y124 WeakPolarHBondContact OG-CD2 3.32Å; S121-S125 PolarHBondContact O-N 3.47Å; S121-S125 VanDerWaalsContact O-N 3.14Å | ||
| 122 | A | 90.3 | Very high | 95 | Very high | 33 Ų | 33 | 44.3 Ų | 44.3 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -53 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y124 S125 | A122-Y124 VanDerWaalsContact C-N 3.27Å; A122-Y124 PolarHBondContact O-N 3.18Å; A122-S125 PolarHBondContact O-N 3.44Å; A122-S125 PolarHBondContact O-OG 3.02Å |
| 123 | A | 90 | Very high | 94.9 | Very high | 86 Ų | 86 | 42.1 Ų | 42.1 | 71% | 0.711 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -67.2 | -25.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S121 | S121-A123 PolarHBondContact O-N 3.02Š|
| 124 | Y | 90.9 | Very high | 94.9 | Very high | 151 Ų | 151 | 43.4 Ų | 43.4 | 59% | 0.592 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -114.1 | 37.6 | 178.8 | -57.1 | -67.9 | 0 | 0 | 0 | 111.7 | S121 A122 L126 M127 | S121-Y124 CarbonylContact O-C 3.55Å; S121-Y124 WeakPolarHBondContact O-CA 3.46Å; S121-Y124 PolarHBondContact O-N 3.47Å; S121-Y124 WeakPolarHBondContact OG-CD2 3.32Å; A122-Y124 VanDerWaalsContact C-N 3.27Å; A122-Y124 PolarHBondContact O-N 3.18Å; Y124-L126 PolarHBondContact O-N 2.97Å; Y124-M127 HydrophobicContact CG-SD 4.35Å; Y124-M127 WeakPolarHBondContact O-CB 3.43Å; Y124-M127 PolarHBondContact O-N 3.33Å |
| 125 | S | 91.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -55.1 | -28.5 | -178.5 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | Y45 F46 S121 A122 M127 L128 | Y45-S125 WeakPolarHBondContact CD1-OG 2.87Å; F46-S125 WeakPolarHBondContact CZ-O 3.34Å; F46-S125 PolarHBondContact N-OG 2.96Å; S121-S125 PolarHBondContact O-N 3.47Å; S121-S125 VanDerWaalsContact O-N 3.14Å; A122-S125 PolarHBondContact O-N 3.44Å; A122-S125 PolarHBondContact O-OG 3.02Å; S125-M127 PolarHBondContact O-N 3.27Å; S125-L128 WeakPolarHBondContact O-CB 3.28Å; S125-L128 WeakPolarHBondContact O-CG 3.33Å; S125-L128 PolarHBondContact O-N 3.22Å |
| 126 | L | 93.8 | Very high | 94.9 | Very high | 125 Ų | 125 | 40.8 Ų | 40.8 | 65% | 0.654 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -64.9 | -19.8 | 176.3 | -63 | 178.5 | 0 | 0 | 0 | 113.9 | F46 Y124 L128 F129 P130 | F46-L126 HydrophobicContact CE1-CD2 4.27Å; Y124-L126 PolarHBondContact O-N 2.97Å; L126-L128 PolarHBondContact O-N 2.95Å; L126-F129 HydrophobicContact CD2-CD2 4.31Å; L126-F129 HydrophobicContact CD2-CE2 3.95Å; L126-F129 WeakPolarHBondContact O-CD2 2.85Å; L126-F129 PolarHBondContact O-N 3.16Å; L126-P130 WeakPolarHBondContact O-CD 3.34Å |
| 127 | M | 95.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 37.7 Ų | 37.7 | 29% | 0.291 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -64.4 | -20.4 | 175.3 | -69.5 | -176.5 | 68.7 | 0 | 0 | 112.5 | F116 Y124 S125 F129 P130 A131 | F116-M127 HydrophobicContact CB-CE 4.43Å; F116-M127 HydrophobicContact CD1-CE 4.27Å; F116-M127 HydrophobicContact CG-CE 4.42Å; Y124-M127 HydrophobicContact CG-SD 4.35Å; Y124-M127 WeakPolarHBondContact O-CB 3.43Å; Y124-M127 PolarHBondContact O-N 3.33Å; S125-M127 PolarHBondContact O-N 3.27Å; M127-F129 PolarHBondContact O-N 3.04Å; M127-P130 WeakPolarHBondContact O-CD 3.3Å; M127-P130 WeakPolarHBondContact O-CG 3.23Å; M127-A131 WeakPolarHBondContact O-CB 3.3Å; M127-A131 PolarHBondContact O-N 3.2Å |
| 128 | L | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -30.8 | 177.2 | -67.2 | 175.7 | 0 | 0 | 0 | 113 | L40 Y45 F46 F72 V75 S125 L126 A131 L132 | L40-L128 HydrophobicContact CD1-CD1 3.89Å; L40-L128 HydrophobicContact CD1-CD2 4.39Å; L40-L128 HydrophobicContact CD2-CD1 4.22Å; L40-L128 HydrophobicContact CD2-CD2 4.16Å; Y45-L128 HydrophobicContact CD1-CD1 3.52Å; Y45-L128 HydrophobicContact CD1-CG 4.18Å; Y45-L128 HydrophobicContact CE1-CD1 3.92Å; Y45-L128 HydrophobicContact CE1-CD2 4.26Å; Y45-L128 HydrophobicContact CE1-CG 4.1Å; Y45-L128 HydrophobicContact CG-CD1 4.35Å; F46-L128 HydrophobicContact CE2-CD1 3.94Å; F72-L128 HydrophobicContact CE1-CD1 4.42Å; V75-L128 HydrophobicContact CG1-CB 4.26Å; S125-L128 WeakPolarHBondContact O-CB 3.28Å; S125-L128 WeakPolarHBondContact O-CG 3.33Å; S125-L128 PolarHBondContact O-N 3.22Å; L126-L128 PolarHBondContact O-N 2.95Å; L128-A131 PolarHBondContact O-N 3.13Å; L128-L132 PolarHBondContact O-N 3.22Å |
| 129 | F | 95.4 | Very high | 94.8 | Very high | 34 Ų | 34 | 37.5 Ų | 37.5 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -60.8 | 178.7 | -73.7 | -88.2 | 0 | 0 | 0 | 112.5 | F46 L74 V75 I78 L126 M127 A131 S133 | F46-F129 HydrophobicContact CZ-CE2 4.09Å; L74-F129 HydrophobicContact CB-CE1 4.42Å; L74-F129 HydrophobicContact CD2-CE1 3.97Å; L74-F129 HydrophobicContact CD2-CZ 4.13Å; L74-F129 HydrophobicContact CG-CE1 3.95Å; L74-F129 HydrophobicContact CG-CZ 4.46Å; V75-F129 HydrophobicContact CB-CD1 4.49Å; V75-F129 HydrophobicContact CB-CE1 4.35Å; V75-F129 HydrophobicContact CG2-CD1 3.86Å; V75-F129 HydrophobicContact CG2-CD2 3.93Å; V75-F129 HydrophobicContact CG2-CE1 3.58Å; V75-F129 HydrophobicContact CG2-CE2 3.66Å; V75-F129 HydrophobicContact CG2-CG 4.03Å; V75-F129 HydrophobicContact CG2-CZ 3.48Å; V75-F129 VanDerWaalsContact CG2-CZ 3.48Å; I78-F129 HydrophobicContact CD1-CD1 3.65Å; I78-F129 HydrophobicContact CD1-CE1 3.73Å; L126-F129 HydrophobicContact CD2-CD2 4.31Å; L126-F129 HydrophobicContact CD2-CE2 3.95Å; L126-F129 WeakPolarHBondContact O-CD2 2.85Å; L126-F129 PolarHBondContact O-N 3.16Å; M127-F129 PolarHBondContact O-N 3.04Å; F129-A131 VanDerWaalsContact C-N 3.31Å; F129-A131 PolarHBondContact O-N 2.75Å; F129-S133 VanDerWaalsContact O-CB 3.3Å; F129-S133 WeakPolarHBondContact O-CB 3.5Å; F129-S133 PolarHBondContact O-N 2.84Å; F129-S133 PolarHBondContact O-OG 3.4Å |
| 130 | P | 96.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 31.9 Ų | 31.9 | 37% | 0.37 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.4 | -34 | 175.5 | 26.2 | -34.3 | 0 | 0 | 0 | 111.9 | F116 L126 M127 S133 C134 | F116-P130 HydrophobicContact CD2-CB 4.22Å; F116-P130 HydrophobicContact CD2-CG 4.3Å; F116-P130 HydrophobicContact CE2-CB 4.18Å; F116-P130 HydrophobicContact CE2-CG 4.45Å; L126-P130 WeakPolarHBondContact O-CD 3.34Å; M127-P130 WeakPolarHBondContact O-CD 3.3Å; M127-P130 WeakPolarHBondContact O-CG 3.23Å; P130-S133 PolarHBondContact O-N 3.16Å; P130-C134 WeakPolarHBondContact O-CB 3.36Å; P130-C134 PolarHBondContact O-N 2.84Å; P130-C134 PolarHBondContact O-SG 3.02Å |
| 131 | A | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -58.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | G113 F116 V117 M127 L128 F129 S133 C134 I135 | G113-A131 WeakPolarHBondContact CA-O 3.39Å; F116-A131 HydrophobicContact CB-CB 3.53Å; F116-A131 HydrophobicContact CD2-CB 4.49Å; V117-A131 HydrophobicContact CG2-CB 3.61Å; M127-A131 WeakPolarHBondContact O-CB 3.3Å; M127-A131 PolarHBondContact O-N 3.2Å; L128-A131 PolarHBondContact O-N 3.13Å; F129-A131 VanDerWaalsContact C-N 3.31Å; F129-A131 PolarHBondContact O-N 2.75Å; A131-S133 VanDerWaalsContact C-N 3.28Å; A131-S133 PolarHBondContact O-N 3.14Å; A131-C134 PolarHBondContact O-N 2.68Å; A131-I135 WeakPolarHBondContact O-CG1 3.3Å; A131-I135 PolarHBondContact O-N 2.9Å |
| 132 | L | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.2 | -29 | -178 | -68.9 | 179.8 | 0 | 0 | 0 | 112.3 | Y33 L36 V75 A79 L128 I135 A136 F175 | Y33-L132 HydrophobicContact CD2-CD1 3.85Å; Y33-L132 HydrophobicContact CE2-CD1 3.49Å; Y33-L132 VanDerWaalsContact CE2-CD1 3.49Å; L36-L132 HydrophobicContact CD2-CD1 4.32Å; L36-L132 HydrophobicContact CD2-CD2 4Å; V75-L132 HydrophobicContact CG1-CB 4.43Å; V75-L132 HydrophobicContact CG1-CD1 3.58Å; V75-L132 HydrophobicContact CG1-CG 4.44Å; A79-L132 HydrophobicContact CB-CB 4.01Å; L128-L132 PolarHBondContact O-N 3.22Å; L132-I135 HydrophobicContact CD2-CD1 4.27Å; L132-A136 WeakPolarHBondContact O-CB 3.38Å; L132-A136 PolarHBondContact O-N 3.1Å; L132-F175 HydrophobicContact CD2-CE2 4.4Å; L132-F175 HydrophobicContact CD2-CZ 4.27Å |
| 133 | S | 96.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 8% | 0.077 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -47 | 172.5 | -60 | 0 | 0 | 0 | 0 | 111.8 | F129 P130 A131 A136 V137 | F129-S133 VanDerWaalsContact O-CB 3.3Å; F129-S133 WeakPolarHBondContact O-CB 3.5Å; F129-S133 PolarHBondContact O-N 2.84Å; F129-S133 PolarHBondContact O-OG 3.4Å; P130-S133 PolarHBondContact O-N 3.16Å; A131-S133 VanDerWaalsContact C-N 3.28Å; A131-S133 PolarHBondContact O-N 3.14Å; S133-A136 PolarHBondContact O-N 3.25Å; S133-V137 WeakPolarHBondContact O-CG2 3.32Å; S133-V137 PolarHBondContact O-N 2.99Å |
| 134 | C | 97.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 23.6 Ų | 23.6 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.4 | -76.1 | 0 | 0 | 0 | 0 | 112.2 | L109 P130 A131 G138 | L109-C134 WeakPolarHBondContact O-CB 3.5Å; P130-C134 WeakPolarHBondContact O-CB 3.36Å; P130-C134 PolarHBondContact O-N 2.84Å; P130-C134 PolarHBondContact O-SG 3.02Å; A131-C134 PolarHBondContact O-N 2.68Å; C134-G138 PolarHBondContact O-N 3.41Å |
| 135 | I | 97.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 174.8 | -65.6 | 179 | 0 | 0 | 0 | 110.6 | V29 V30 Y110 T114 V117 A131 L132 G139 F192 | V29-I135 HydrophobicContact CG2-CG2 3.42Å; V29-I135 VanDerWaalsContact CG2-CG2 3.42Å; V30-I135 HydrophobicContact CG2-CB 3.98Å; V30-I135 HydrophobicContact CG2-CG2 3.55Å; Y110-I135 HydrophobicContact CD2-CG2 4.08Å; Y110-I135 HydrophobicContact CE2-CG2 3.58Å; T114-I135 HydrophobicContact CG2-CD1 3.93Å; T114-I135 HydrophobicContact CG2-CG1 4.16Å; V117-I135 HydrophobicContact CG2-CD1 4.15Å; A131-I135 WeakPolarHBondContact O-CG1 3.3Å; A131-I135 PolarHBondContact O-N 2.9Å; L132-I135 HydrophobicContact CD2-CD1 4.27Å; I135-G139 PolarHBondContact O-N 2.85Å; I135-F192 HydrophobicContact CD1-CE1 4.01Å |
| 136 | A | 96 | Very high | 95.5 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 3% | 0.033 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V30 A79 N83 L132 S133 G139 I140 | V30-A136 HydrophobicContact CB-CB 4.32Å; V30-A136 HydrophobicContact CG1-CB 4.37Å; V30-A136 HydrophobicContact CG2-CB 3.94Å; A79-A136 HydrophobicContact CB-CB 4.49Å; N83-A136 HydrophobicContact CB-CB 3.92Å; N83-A136 PolarHBondContact OD1-O 3.12Å; L132-A136 WeakPolarHBondContact O-CB 3.38Å; L132-A136 PolarHBondContact O-N 3.1Å; S133-A136 PolarHBondContact O-N 3.25Å; A136-G139 PolarHBondContact O-N 3.42Å; A136-I140 PolarHBondContact O-N 2.84Å |
| 137 | V | 96.7 | Very high | 95.4 | Very high | 8 Ų | 8 | 10.4 Ų | 10.4 | 5% | 0.048 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | -179.4 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | L82 L86 L109 S133 G139 I140 L141 | L82-V137 HydrophobicContact CB-CG2 4.16Å; L86-V137 HydrophobicContact CB-CG1 4.47Å; L86-V137 HydrophobicContact CD1-CG1 4.11Å; L86-V137 HydrophobicContact CD1-CG2 3.73Å; L109-V137 HydrophobicContact CD1-CG1 3.83Å; S133-V137 WeakPolarHBondContact O-CG2 3.32Å; S133-V137 PolarHBondContact O-N 2.99Å; V137-G139 VanDerWaalsContact C-N 3.33Å; V137-I140 WeakPolarHBondContact O-CG2 3.17Å; V137-L141 HydrophobicContact CG1-CD1 4.38Å; V137-L141 WeakPolarHBondContact O-CD1 3.43Å; V137-L141 WeakPolarHBondContact O-CG 3.22Å; V137-L141 PolarHBondContact O-N 2.95Å |
| 138 | G | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | G106 C134 L141 L142 | G106-G138 VanDerWaalsContact O-CA 3.3Å; G106-G138 WeakPolarHBondContact O-CA 3.3Å; C134-G138 PolarHBondContact O-N 3.41Å; G138-L141 WeakPolarHBondContact O-CB 3.13Å; G138-L141 PolarHBondContact O-N 3.44Å; G138-L142 WeakPolarHBondContact O-CG 3.29Å; G138-L142 PolarHBondContact O-N 3.39Å |
| 139 | G | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A27 I135 A136 V137 L141 L142 L143 | A27-G139 WeakPolarHBondContact CB-O 3.42Å; A27-G139 CarbonylContact O-C 3.18Å; A27-G139 VanDerWaalsContact O-C 3.29Å; A27-G139 WeakPolarHBondContact O-CA 3.33Å; I135-G139 PolarHBondContact O-N 2.85Å; A136-G139 PolarHBondContact O-N 3.42Å; V137-G139 VanDerWaalsContact C-N 3.33Å; G139-L141 VanDerWaalsContact C-N 3.3Å; G139-L141 PolarHBondContact O-N 3.05Å; G139-L142 WeakPolarHBondContact O-CB 3.46Å; G139-L142 PolarHBondContact O-N 3.39Å; G139-L143 PolarHBondContact O-N 3.36Å; G139-L143 VanDerWaalsContact O-N 3.08Å |
| 140 | I | 94.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 6.6 Ų | 6.6 | 4% | 0.041 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.9 | -33.1 | 176 | -169.8 | 60.6 | 0 | 0 | 0 | 112.6 | N83 A136 V137 L143 M144 F168 | N83-I140 WeakPolarHBondContact OD1-CB 3.48Å; A136-I140 PolarHBondContact O-N 2.84Å; V137-I140 WeakPolarHBondContact O-CG2 3.17Å; I140-L143 HydrophobicContact CD1-CB 4.49Å; I140-L143 HydrophobicContact CD1-CD2 3.98Å; I140-L143 PolarHBondContact O-N 2.8Å; I140-M144 VanDerWaalsContact O-CB 3.29Å; I140-M144 WeakPolarHBondContact O-CB 3.34Å; I140-M144 PolarHBondContact O-N 3.43Å; I140-F168 HydrophobicContact CD1-CE2 4.35Å; I140-F168 HydrophobicContact CD1-CZ 4.44Å |
| 141 | L | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 173 | -79.9 | 164.6 | 0 | 0 | 0 | 111.8 | N90 T102 L105 L109 V137 G138 G139 M144 T145 | N90-L141 HydrophobicContact CB-CD2 3.57Å; N90-L141 HydrophobicContact CB-CG 4.25Å; N90-L141 VanDerWaalsContact CG-CD2 3.49Å; T102-L141 HydrophobicContact CG2-CD2 3.37Å; L105-L141 HydrophobicContact CD2-CD1 4.36Å; L105-L141 HydrophobicContact CG-CD1 4.31Å; L109-L141 HydrophobicContact CD1-CD1 4.03Å; V137-L141 HydrophobicContact CG1-CD1 4.38Å; V137-L141 WeakPolarHBondContact O-CD1 3.43Å; V137-L141 WeakPolarHBondContact O-CG 3.22Å; V137-L141 PolarHBondContact O-N 2.95Å; G138-L141 WeakPolarHBondContact O-CB 3.13Å; G138-L141 PolarHBondContact O-N 3.44Å; G139-L141 VanDerWaalsContact C-N 3.3Å; G139-L141 PolarHBondContact O-N 3.05Å; L141-M144 PolarHBondContact O-N 2.65Å; L141-T145 VanDerWaalsContact O-CG2 3.24Å; L141-T145 WeakPolarHBondContact O-CG2 3.16Å; L141-T145 PolarHBondContact O-N 3.13Å; L141-T145 VanDerWaalsContact O-N 3.09Å; L141-T145 PolarHBondContact O-OG1 3.19Å; L141-T145 VanDerWaalsContact O-OG1 3.11Å |
| 142 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 174 | -65.5 | 177.4 | 0 | 0 | 0 | 111.2 | E22 F26 A27 V107 G138 G139 T145 N146 | E22-L142 HydrophobicContact CG-CD1 4.3Å; F26-L142 HydrophobicContact CB-CD1 4.38Å; A27-L142 HydrophobicContact CB-CB 4.48Å; V107-L142 HydrophobicContact CG2-CD2 4.06Å; G138-L142 WeakPolarHBondContact O-CG 3.29Å; G138-L142 PolarHBondContact O-N 3.39Å; G139-L142 WeakPolarHBondContact O-CB 3.46Å; G139-L142 PolarHBondContact O-N 3.39Å; L142-T145 PolarHBondContact O-N 2.57Å; L142-T145 PolarHBondContact O-OG1 3.12Å; L142-N146 WeakPolarHBondContact O-CB 3.27Å; L142-N146 PolarHBondContact O-N 3.14Å; L142-N146 VanDerWaalsContact O-N 3.17Å; L142-N146 PolarHBondContact O-ND2 3.06Å |
| 143 | L | 94.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -59.3 | -50.7 | 175.8 | 174.2 | 60.5 | 0 | 0 | 0 | 111.7 | G139 I140 T145 N146 I147 F168 | G139-L143 PolarHBondContact O-N 3.36Å; G139-L143 VanDerWaalsContact O-N 3.08Å; I140-L143 HydrophobicContact CD1-CB 4.49Å; I140-L143 HydrophobicContact CD1-CD2 3.98Å; I140-L143 PolarHBondContact O-N 2.8Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.41Å; L143-N146 WeakPolarHBondContact O-CA 3.35Å; L143-N146 WeakPolarHBondContact O-CB 3.31Å; L143-N146 PolarHBondContact O-N 2.92Å; L143-I147 HydrophobicContact CD1-CD1 4.23Å; L143-I147 HydrophobicContact CD1-CG1 4.12Å; L143-I147 HydrophobicContact CG-CD1 4.03Å; L143-I147 HydrophobicContact CG-CG1 4.38Å; L143-I147 WeakPolarHBondContact O-CG1 3.22Å; L143-I147 PolarHBondContact O-N 3.39Å; L143-F168 HydrophobicContact CB-CD2 3.76Å; L143-F168 HydrophobicContact CB-CE2 4.22Å; L143-F168 HydrophobicContact CD1-CB 4.19Å; L143-F168 HydrophobicContact CD2-CB 3.99Å; L143-F168 HydrophobicContact CD2-CD1 4.33Å; L143-F168 HydrophobicContact CD2-CD2 3.59Å; L143-F168 HydrophobicContact CD2-CE2 4.07Å; L143-F168 HydrophobicContact CD2-CG 3.74Å; L143-F168 HydrophobicContact CG-CD2 4.16Å |
| 144 | M | 92.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 8.7 Ų | 8.7 | 2% | 0.02 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.9 | -42 | -176.5 | -175.6 | 178 | 166.3 | 0 | 0 | 112 | G91 F94 I140 L141 N146 I147 | G91-M144 VanDerWaalsContact CA-CE 3.43Å; F94-M144 HydrophobicContact CB-CE 3.27Å; F94-M144 HydrophobicContact CB-SD 4.36Å; F94-M144 HydrophobicContact CD1-CE 3.55Å; F94-M144 HydrophobicContact CE1-CE 4.5Å; F94-M144 HydrophobicContact CG-CE 3.55Å; I140-M144 VanDerWaalsContact O-CB 3.29Å; I140-M144 WeakPolarHBondContact O-CB 3.34Å; I140-M144 PolarHBondContact O-N 3.43Å; L141-M144 PolarHBondContact O-N 2.65Å; M144-N146 VanDerWaalsContact C-N 3.29Å; M144-N146 PolarHBondContact O-N 2.84Å; M144-I147 PolarHBondContact O-N 3.33Å |
| 145 | T | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -73.2 | -20.3 | 177.7 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | F94 T99 T102 R103 L141 L142 L143 Q148 | F94-T145 HydrophobicContact CD2-CG2 4.02Å; F94-T145 HydrophobicContact CE2-CG2 4.03Å; T99-T145 HydrophobicContact CG2-CG2 4.48Å; T102-T145 HydrophobicContact CG2-CG2 3.67Å; R103-T145 HydrophobicContact CG-CG2 3.52Å; R103-T145 VanDerWaalsContact CG-OG1 3.32Å; R103-T145 WeakPolarHBondContact CG-OG1 3.28Å; R103-T145 PolarHBondContact NH1-OG1 3.17Å; R103-T145 VanDerWaalsContact NH1-OG1 3.09Å; L141-T145 VanDerWaalsContact O-CG2 3.24Å; L141-T145 WeakPolarHBondContact O-CG2 3.16Å; L141-T145 PolarHBondContact O-N 3.13Å; L141-T145 VanDerWaalsContact O-N 3.09Å; L141-T145 PolarHBondContact O-OG1 3.19Å; L141-T145 VanDerWaalsContact O-OG1 3.11Å; L142-T145 PolarHBondContact O-N 2.57Å; L142-T145 PolarHBondContact O-OG1 3.12Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.41Å; T145-Q148 WeakPolarHBondContact O-CG 3.36Å; T145-Q148 PolarHBondContact O-NE2 3.32Å |
| 146 | N | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -84.5 | -29.8 | 174.7 | -79.7 | -40.1 | 0 | 0 | 0 | 113 | E22 C23 L142 L143 M144 Q148 V149 Y164 R205 M210 | E22-N146 PolarHBondContact OE2-ND2 3.02Å; C23-N146 PolarHBondContact SG-ND2 2.95Å; C23-N146 VanDerWaalsContact SG-ND2 3.39Å; L142-N146 WeakPolarHBondContact O-CB 3.27Å; L142-N146 PolarHBondContact O-N 3.14Å; L142-N146 VanDerWaalsContact O-N 3.17Å; L142-N146 PolarHBondContact O-ND2 3.06Å; L143-N146 WeakPolarHBondContact O-CA 3.35Å; L143-N146 WeakPolarHBondContact O-CB 3.31Å; L143-N146 PolarHBondContact O-N 2.92Å; M144-N146 VanDerWaalsContact C-N 3.29Å; M144-N146 PolarHBondContact O-N 2.84Å; N146-Q148 PolarHBondContact O-N 3.4Å; N146-V149 WeakPolarHBondContact O-CB 3.13Å; N146-V149 VanDerWaalsContact O-CG2 3.29Å; N146-V149 WeakPolarHBondContact O-CG2 3.2Å; N146-V149 PolarHBondContact O-N 3.49Å; N146-Y164 HydrophobicContact CB-CD1 3.82Å; N146-Y164 HydrophobicContact CB-CE1 3.73Å; N146-Y164 HydrophobicContact CB-CE2 4.49Å; N146-Y164 HydrophobicContact CB-CG 4.22Å; N146-Y164 VanDerWaalsContact O-CE2 3.27Å; N146-Y164 WeakPolarHBondContact O-CE2 3.34Å; N146-R205 VanDerWaalsContact OD1-CZ 3.23Å; N146-R205 PolarHBondContact OD1-NH1 2.89Å; N146-R205 PolarHBondContact OD1-NH2 2.85Å; N146-M210 WeakPolarHBondContact OD1-CE 3.43Å |
| 147 | I | 91.5 | Very high | 92 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 2% | 0.015 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.5 | -37.3 | -179.7 | -77.6 | 170.5 | 0 | 0 | 0 | 112.6 | L143 M144 V149 G150 I161 A413 F425 | L143-I147 HydrophobicContact CD1-CD1 4.23Å; L143-I147 HydrophobicContact CD1-CG1 4.12Å; L143-I147 HydrophobicContact CG-CD1 4.03Å; L143-I147 HydrophobicContact CG-CG1 4.38Å; L143-I147 WeakPolarHBondContact O-CG1 3.22Å; L143-I147 PolarHBondContact O-N 3.39Å; M144-I147 PolarHBondContact O-N 3.33Å; I147-V149 PolarHBondContact O-N 3.15Å; I147-V149 VanDerWaalsContact O-N 3.12Å; I147-G150 PolarHBondContact O-N 2.94Å; I147-G150 VanDerWaalsContact O-N 3.1Å; I147-I161 HydrophobicContact CG1-CG2 4.48Å; I147-I161 HydrophobicContact CG2-CD1 4.37Å; I147-I161 HydrophobicContact CG2-CG1 4.07Å; I147-I161 HydrophobicContact CG2-CG2 4.09Å; I147-A413 HydrophobicContact CD1-CB 4.08Å; I147-F425 HydrophobicContact CG2-CE1 3.9Å; I147-F425 HydrophobicContact CG2-CZ 3.69Å |
| 148 | Q | 90.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 15 Ų | 15 | 6% | 0.061 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -63.1 | -18 | 178.7 | 71.6 | -176.1 | -38.9 | 0 | 0 | 113.9 | F94 T99 T145 N146 G150 N151 I215 | F94-Q148 HydrophobicContact CZ-CB 4.49Å; T99-Q148 VanDerWaalsContact CG2-NE2 3.26Å; T99-Q148 PolarHBondContact OG1-NE2 2.9Å; T99-Q148 PolarHBondContact OG1-OE1 3.03Å; T145-Q148 WeakPolarHBondContact O-CG 3.36Å; T145-Q148 PolarHBondContact O-NE2 3.32Å; N146-Q148 PolarHBondContact O-N 3.4Å; Q148-G150 PolarHBondContact O-N 3.32Å; Q148-N151 VanDerWaalsContact O-CB 3.22Å; Q148-N151 WeakPolarHBondContact O-CB 3.49Å; Q148-N151 PolarHBondContact O-N 3.26Å; Q148-I215 HydrophobicContact CB-CB 4.42Å; Q148-I215 HydrophobicContact CG-CB 4.35Å; Q148-I215 HydrophobicContact CG-CD1 3.98Å; Q148-I215 HydrophobicContact CG-CG1 4.05Å |
| 149 | V | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -61.5 | -25.6 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | T15 L16 N146 I147 N151 L152 F153 Y164 M210 I215 | T15-V149 HydrophobicContact CG2-CG1 4.33Å; T15-V149 HydrophobicContact CG2-CG2 3.89Å; L16-V149 HydrophobicContact CB-CG1 4.47Å; L16-V149 HydrophobicContact CD1-CG1 4.48Å; N146-V149 WeakPolarHBondContact O-CB 3.13Å; N146-V149 VanDerWaalsContact O-CG2 3.29Å; N146-V149 WeakPolarHBondContact O-CG2 3.2Å; N146-V149 PolarHBondContact O-N 3.49Å; I147-V149 PolarHBondContact O-N 3.15Å; I147-V149 VanDerWaalsContact O-N 3.12Å; V149-N151 PolarHBondContact O-N 3.16Å; V149-N151 VanDerWaalsContact O-N 3.16Å; V149-L152 HydrophobicContact CG1-CD1 4.13Å; V149-L152 VanDerWaalsContact O-CB 3.3Å; V149-L152 WeakPolarHBondContact O-CB 3.11Å; V149-L152 PolarHBondContact O-N 3.49Å; V149-F153 HydrophobicContact CG1-CE2 4.49Å; V149-Y164 HydrophobicContact CB-CE2 3.8Å; V149-Y164 HydrophobicContact CG1-CE2 4.16Å; V149-Y164 WeakPolarHBondContact CG1-OH 3.43Å; V149-M210 HydrophobicContact CG2-CE 3.78Å; V149-I215 HydrophobicContact CG2-CD1 4.39Å |
| 150 | G | 89.4 | Confident | 91.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -56.9 | -27.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | I147 Q148 L152 F153 R157 | I147-G150 PolarHBondContact O-N 2.94Å; I147-G150 VanDerWaalsContact O-N 3.1Å; Q148-G150 PolarHBondContact O-N 3.32Å; G150-L152 PolarHBondContact O-N 2.92Å; G150-F153 CarbonylContact O-C 3.54Å; G150-F153 PolarHBondContact O-N 2.63Å; G150-F153 VanDerWaalsContact O-N 3.14Å; G150-R157 WeakPolarHBondContact O-CA 3.49Å; G150-R157 WeakPolarHBondContact O-CB 3.34Å; G150-R157 WeakPolarHBondContact O-CG 3.29Å |
| 151 | N | 89.5 | Confident | 91.7 | Very high | 15 Ų | 15 | 16.2 Ų | 16.2 | 8% | 0.08 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -65.4 | -22.4 | 176.8 | -62.6 | -15.4 | 0 | 0 | 0 | 112.4 | Q148 V149 F153 R157 I215 Y217 L219 | Q148-N151 VanDerWaalsContact O-CB 3.22Å; Q148-N151 WeakPolarHBondContact O-CB 3.49Å; Q148-N151 PolarHBondContact O-N 3.26Å; V149-N151 PolarHBondContact O-N 3.16Å; V149-N151 VanDerWaalsContact O-N 3.16Å; N151-F153 PolarHBondContact O-N 2.69Å; N151-R157 PolarHBondContact OD1-NE 3.41Å; N151-R157 PolarHBondContact OD1-NH2 3.45Å; N151-I215 HydrophobicContact CB-CB 4.39Å; N151-I215 HydrophobicContact CB-CG2 3.72Å; N151-I215 PolarHBondContact ND2-O 2.7Å; N151-Y217 HydrophobicContact CB-CD2 4.2Å; N151-L219 WeakPolarHBondContact O-CD1 3.42Å; N151-L219 WeakPolarHBondContact O-CG 3.18Å |
| 152 | L | 88.6 | Confident | 91.7 | Very high | 12 Ų | 12 | 16.2 Ų | 16.2 | 6% | 0.063 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -70.2 | -20.2 | 176.2 | -60.5 | 179.5 | 0 | 0 | 0 | 113.3 | Y12 V149 G150 I215 L219 F223 Y225 | Y12-L152 HydrophobicContact CD1-CD1 3.8Å; Y12-L152 HydrophobicContact CD1-CD2 4.31Å; Y12-L152 HydrophobicContact CD2-CB 4.11Å; Y12-L152 HydrophobicContact CE1-CD1 4.28Å; Y12-L152 HydrophobicContact CE1-CD2 3.98Å; Y12-L152 HydrophobicContact CE2-CB 4.42Å; Y12-L152 HydrophobicContact CE2-CD2 4.27Å; Y12-L152 HydrophobicContact CG-CB 4.3Å; Y12-L152 HydrophobicContact CG-CD1 3.94Å; V149-L152 HydrophobicContact CG1-CD1 4.13Å; V149-L152 VanDerWaalsContact O-CB 3.3Å; V149-L152 WeakPolarHBondContact O-CB 3.11Å; V149-L152 PolarHBondContact O-N 3.49Å; G150-L152 PolarHBondContact O-N 2.92Å; L152-I215 HydrophobicContact CD1-CD1 4.06Å; L152-I215 HydrophobicContact CD2-CD1 4.09Å; L152-I215 HydrophobicContact CD2-CG2 3.58Å; L152-I215 HydrophobicContact CG-CD1 3.94Å; L152-I215 HydrophobicContact CG-CG2 4.09Å; L152-L219 HydrophobicContact CD2-CD2 4.12Å; L152-F223 HydrophobicContact CD2-CD1 4.25Å; L152-F223 HydrophobicContact CD2-CE1 4.11Å; L152-Y225 HydrophobicContact CD1-CE1 3.77Å; L152-Y225 WeakPolarHBondContact CD1-OH 3.23Å; L152-Y225 HydrophobicContact CD2-CE1 3.81Å; L152-Y225 HydrophobicContact CG-CE1 4.45Å |
| 153 | F | 89.6 | Confident | 91.7 | Very high | 37 Ų | 37 | 19 Ų | 19 | 16% | 0.162 | 11% | 0.108 | C | C | . | . | trans | -125.4 | 69.6 | -175.1 | -57.6 | -98 | 0 | 0 | 0 | 109.6 | W13 L16 V149 G150 N151 A155 H156 R157 I160 | W13-F153 HydrophobicContact CZ2-CE1 4.39Å; L16-F153 HydrophobicContact CB-CE2 4.35Å; L16-F153 HydrophobicContact CB-CZ 4.46Å; L16-F153 HydrophobicContact CD2-CE2 4.26Å; L16-F153 HydrophobicContact CD2-CZ 4.13Å; V149-F153 HydrophobicContact CG1-CE2 4.49Å; G150-F153 CarbonylContact O-C 3.54Å; G150-F153 PolarHBondContact O-N 2.63Å; G150-F153 VanDerWaalsContact O-N 3.14Å; N151-F153 PolarHBondContact O-N 2.69Å; F153-A155 PolarHBondContact O-N 2.98Å; F153-H156 CarbonylContact O-C 3.6Å; F153-H156 VanDerWaalsContact O-C 3.31Å; F153-H156 PolarHBondContact O-N 3.41Å; F153-R157 WeakPolarHBondContact O-CA 3.18Å; F153-R157 PolarHBondContact O-N 2.94Å; F153-I160 HydrophobicContact CB-CD1 3.42Å; F153-I160 VanDerWaalsContact CB-CD1 3.42Å; F153-I160 HydrophobicContact CD1-CD1 4.07Å; F153-I160 HydrophobicContact CD2-CD1 3.08Å; F153-I160 HydrophobicContact CE2-CD1 3.74Å; F153-I160 HydrophobicContact CG-CD1 3.26Å; F153-I160 HydrophobicContact CZ-CD1 4.45Å | ||
| 154 | A | 84.5 | Confident | 91.8 | Very high | 47 Ų | 47 | 19 Ų | 19 | 39% | 0.388 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -48.5 | -41.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | H156 Y217 K350 | A154-H156 VanDerWaalsContact C-N 3.3Å; A154-H156 PolarHBondContact O-N 3.13Å; A154-Y217 HydrophobicContact CB-CE2 4.22Å; A154-K350 WeakPolarHBondContact O-CD 3.24Å |
| 155 | A | 86.2 | Confident | 91.9 | Very high | 58 Ų | 58 | 18.8 Ų | 18.8 | 48% | 0.479 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | -65.6 | -26.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | F153 | F153-A155 PolarHBondContact O-N 2.98Š|
| 156 | H | 90 | Very high | 91.9 | Very high | 107 Ų | 107 | 18.8 Ų | 18.8 | 50% | 0.495 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | -127.2 | 26.6 | -176.3 | -59 | -56.6 | 0 | 0 | 0 | 112 | F153 A154 S158 T159 I160 D347 | F153-H156 CarbonylContact O-C 3.6Å; F153-H156 VanDerWaalsContact O-C 3.31Å; F153-H156 PolarHBondContact O-N 3.41Å; A154-H156 VanDerWaalsContact C-N 3.3Å; A154-H156 PolarHBondContact O-N 3.13Å; H156-S158 PolarHBondContact O-N 2.89Å; H156-T159 WeakPolarHBondContact O-CB 3.1Å; H156-T159 PolarHBondContact O-N 3.32Å; H156-I160 PolarHBondContact O-N 3.32Å; H156-D347 VanDerWaalsContact CA-OD2 3.29Å; H156-D347 WeakPolarHBondContact CA-OD2 3.23Å |
| 157 | R | 90.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 18.9 Ų | 18.9 | 3% | 0.034 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | -172.2 | 172.6 | 176.9 | -179.8 | -117.4 | 8 | 111.4 | G150 N151 F153 T159 I160 I161 S417 | G150-R157 WeakPolarHBondContact O-CA 3.49Å; G150-R157 WeakPolarHBondContact O-CB 3.34Å; G150-R157 WeakPolarHBondContact O-CG 3.29Å; N151-R157 PolarHBondContact OD1-NE 3.41Å; N151-R157 PolarHBondContact OD1-NH2 3.45Å; F153-R157 WeakPolarHBondContact O-CA 3.18Å; F153-R157 PolarHBondContact O-N 2.94Å; R157-T159 VanDerWaalsContact C-N 3.35Å; R157-I160 PolarHBondContact O-N 3.37Å; R157-I161 HydrophobicContact CG-CD1 3.89Å; R157-I161 VanDerWaalsContact O-CG1 3.22Å; R157-I161 WeakPolarHBondContact O-CG1 3.46Å; R157-I161 PolarHBondContact O-N 3.37Å; R157-S417 PolarHBondContact NH1-O 3.1Å; R157-S417 PolarHBondContact NH1-OG 2.89Å; R157-S417 PolarHBondContact NH2-O 3.37Å |
| 158 | S | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.2 | -38.3 | -177.8 | -41.2 | 0 | 0 | 0 | 0 | 110.5 | H156 I160 I161 T162 D347 | H156-S158 PolarHBondContact O-N 2.89Å; S158-I160 VanDerWaalsContact C-N 3.35Å; S158-I160 PolarHBondContact O-N 2.98Å; S158-I161 PolarHBondContact O-N 3.32Å; S158-T162 WeakPolarHBondContact O-CG2 3.27Å; S158-T162 PolarHBondContact O-N 3.2Å; S158-T162 PolarHBondContact O-OG1 3.4Å; S158-D347 WeakPolarHBondContact CB-OD1 3.33Å; S158-D347 PolarHBondContact N-OD1 3.49Å; S158-D347 VanDerWaalsContact N-OD1 3.14Å; S158-D347 PolarHBondContact N-OD2 2.97Å; S158-D347 VanDerWaalsContact N-OD2 3.12Å; S158-D347 PolarHBondContact OG-OD1 3.33Å |
| 159 | T | 94.6 | Very high | 92.1 | Very high | 20 Ų | 20 | 18.6 Ų | 18.6 | 12% | 0.123 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.9 | -44.1 | 174.8 | -52 | 0 | 0 | 0 | 0 | 112.2 | H156 R157 T162 F163 P340 G343 L344 D347 | H156-T159 WeakPolarHBondContact O-CB 3.1Å; H156-T159 PolarHBondContact O-N 3.32Å; R157-T159 VanDerWaalsContact C-N 3.35Å; T159-T162 PolarHBondContact O-OG1 3.45Å; T159-T162 VanDerWaalsContact O-OG1 3.04Å; T159-F163 VanDerWaalsContact O-CB 3.29Å; T159-F163 WeakPolarHBondContact O-CB 3.35Å; T159-F163 PolarHBondContact O-N 3.31Å; T159-P340 HydrophobicContact CG2-CB 4.48Å; T159-G343 PolarHBondContact OG1-O 3.28Å; T159-L344 HydrophobicContact CG2-CD2 4.13Å; T159-L344 HydrophobicContact CG2-CG 4.21Å; T159-L344 PolarHBondContact OG1-N 3.17Å; T159-D347 WeakPolarHBondContact CB-OD2 3.43Å; T159-D347 PolarHBondContact N-OD2 3.39Å; T159-D347 PolarHBondContact OG1-OD2 3.35Å |
| 160 | I | 94.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 6% | 0.062 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.7 | -42.2 | 177.2 | -69.2 | -178.5 | 0 | 0 | 0 | 111.5 | L16 F153 H156 R157 S158 T162 F163 Y164 | L16-I160 HydrophobicContact CD1-CD1 4.29Å; L16-I160 HydrophobicContact CD1-CG1 4.35Å; L16-I160 HydrophobicContact CD1-CG2 3.62Å; L16-I160 HydrophobicContact CD2-CD1 4.13Å; F153-I160 HydrophobicContact CB-CD1 3.42Å; F153-I160 VanDerWaalsContact CB-CD1 3.42Å; F153-I160 HydrophobicContact CD1-CD1 4.07Å; F153-I160 HydrophobicContact CD2-CD1 3.08Å; F153-I160 HydrophobicContact CE2-CD1 3.74Å; F153-I160 HydrophobicContact CG-CD1 3.26Å; F153-I160 HydrophobicContact CZ-CD1 4.45Å; H156-I160 PolarHBondContact O-N 3.32Å; R157-I160 PolarHBondContact O-N 3.37Å; S158-I160 VanDerWaalsContact C-N 3.35Å; S158-I160 PolarHBondContact O-N 2.98Å; I160-T162 VanDerWaalsContact C-N 3.34Å; I160-T162 PolarHBondContact O-N 2.81Å; I160-F163 PolarHBondContact O-N 3.19Å; I160-Y164 HydrophobicContact CG2-CD2 3.8Å; I160-Y164 HydrophobicContact CG2-CE2 3.5Å; I160-Y164 VanDerWaalsContact CG2-CE2 3.5Å; I160-Y164 VanDerWaalsContact O-CD2 3.23Å; I160-Y164 WeakPolarHBondContact O-CD2 3.36Å; I160-Y164 PolarHBondContact O-N 3.34Å |
| 161 | I | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 176.4 | -68 | 170.5 | 0 | 0 | 0 | 110.5 | I147 R157 S158 F163 Y164 N165 A413 A414 | I147-I161 HydrophobicContact CG1-CG2 4.48Å; I147-I161 HydrophobicContact CG2-CD1 4.37Å; I147-I161 HydrophobicContact CG2-CG1 4.07Å; I147-I161 HydrophobicContact CG2-CG2 4.09Å; R157-I161 HydrophobicContact CG-CD1 3.89Å; R157-I161 VanDerWaalsContact O-CG1 3.22Å; R157-I161 WeakPolarHBondContact O-CG1 3.46Å; R157-I161 PolarHBondContact O-N 3.37Å; S158-I161 PolarHBondContact O-N 3.32Å; I161-F163 VanDerWaalsContact C-N 3.32Å; I161-F163 PolarHBondContact O-N 2.71Å; I161-Y164 PolarHBondContact O-N 3.35Å; I161-N165 PolarHBondContact O-N 2.97Å; I161-N165 PolarHBondContact O-ND2 2.69Å; I161-A413 HydrophobicContact CG2-CB 3.58Å; I161-A414 HydrophobicContact CG2-CB 4.36Å |
| 162 | T | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.4 | -35.1 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | S158 T159 I160 Y164 N165 G166 A339 N342 G343 L346 A414 | S158-T162 WeakPolarHBondContact O-CG2 3.27Å; S158-T162 PolarHBondContact O-N 3.2Å; S158-T162 PolarHBondContact O-OG1 3.4Å; T159-T162 PolarHBondContact O-OG1 3.45Å; T159-T162 VanDerWaalsContact O-OG1 3.04Å; I160-T162 VanDerWaalsContact C-N 3.34Å; I160-T162 PolarHBondContact O-N 2.81Å; T162-Y164 PolarHBondContact O-N 3.48Å; T162-N165 PolarHBondContact O-N 3.18Å; T162-G166 PolarHBondContact O-N 2.98Å; T162-A339 WeakPolarHBondContact CB-O 3.4Å; T162-A339 WeakPolarHBondContact O-CB 3.49Å; T162-A339 PolarHBondContact OG1-O 2.96Å; T162-N342 HydrophobicContact CG2-CB 4.38Å; T162-G343 WeakPolarHBondContact OG1-CA 3.49Å; T162-G343 PolarHBondContact OG1-N 2.96Å; T162-L346 HydrophobicContact CG2-CD1 4.38Å; T162-A414 HydrophobicContact CG2-CB 4.45Å |
| 163 | F | 95.5 | Very high | 92.6 | Very high | 60 Ų | 60 | 17.4 Ų | 17.4 | 26% | 0.263 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.7 | -158.9 | -172.2 | 0 | 0 | 0 | 112.6 | M20 T159 I160 I161 G166 A167 V336 P340 | M20-F163 HydrophobicContact CE-CD1 3.64Å; M20-F163 HydrophobicContact CE-CD2 4.14Å; M20-F163 HydrophobicContact CE-CE1 3.07Å; M20-F163 HydrophobicContact CE-CE2 3.67Å; M20-F163 HydrophobicContact CE-CG 4.16Å; M20-F163 HydrophobicContact CE-CZ 3.11Å; M20-F163 HydrophobicContact SD-CD1 3.57Å; M20-F163 VanDerWaalsContact SD-CD1 3.57Å; M20-F163 HydrophobicContact SD-CE1 3.44Å; M20-F163 WeakPolarHBondContact SD-CE1 3.35Å; M20-F163 HydrophobicContact SD-CG 4.35Å; M20-F163 HydrophobicContact SD-CZ 4.13Å; T159-F163 VanDerWaalsContact O-CB 3.29Å; T159-F163 WeakPolarHBondContact O-CB 3.35Å; T159-F163 PolarHBondContact O-N 3.31Å; I160-F163 PolarHBondContact O-N 3.19Å; I161-F163 VanDerWaalsContact C-N 3.32Å; I161-F163 PolarHBondContact O-N 2.71Å; F163-G166 PolarHBondContact O-N 2.89Å; F163-A167 PolarHBondContact O-N 2.97Å; F163-V336 HydrophobicContact CD2-CG2 3.9Å; F163-V336 HydrophobicContact CE2-CG2 3.47Å; F163-V336 VanDerWaalsContact CE2-CG2 3.47Å; F163-V336 WeakPolarHBondContact CE2-O 2.95Å; F163-V336 HydrophobicContact CZ-CG2 4.48Å; F163-P340 HydrophobicContact CB-CG 4.42Å; F163-P340 HydrophobicContact CD2-CG 3.57Å; F163-P340 HydrophobicContact CE2-CG 3.81Å; F163-P340 HydrophobicContact CG-CG 4.06Å |
| 164 | Y | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 172.6 | -80.8 | -61.8 | 0 | 0 | 0 | 113.1 | L16 G19 M20 C23 N146 V149 I160 I161 T162 G166 A167 F168 | L16-Y164 WeakPolarHBondContact CA-OH 3.41Å; L16-Y164 HydrophobicContact CD1-CE2 3.92Å; L16-Y164 PolarHBondContact O-OH 3.02Å; G19-Y164 VanDerWaalsContact C-CE1 3.42Å; M20-Y164 HydrophobicContact CG-CD1 4.43Å; M20-Y164 HydrophobicContact CG-CE1 4.14Å; C23-Y164 HydrophobicContact CB-CD1 4.47Å; N146-Y164 HydrophobicContact CB-CD1 3.82Å; N146-Y164 HydrophobicContact CB-CE1 3.73Å; N146-Y164 HydrophobicContact CB-CE2 4.49Å; N146-Y164 HydrophobicContact CB-CG 4.22Å; N146-Y164 VanDerWaalsContact O-CE2 3.27Å; N146-Y164 WeakPolarHBondContact O-CE2 3.34Å; V149-Y164 HydrophobicContact CB-CE2 3.8Å; V149-Y164 HydrophobicContact CG1-CE2 4.16Å; V149-Y164 WeakPolarHBondContact CG1-OH 3.43Å; I160-Y164 HydrophobicContact CG2-CD2 3.8Å; I160-Y164 HydrophobicContact CG2-CE2 3.5Å; I160-Y164 VanDerWaalsContact CG2-CE2 3.5Å; I160-Y164 VanDerWaalsContact O-CD2 3.23Å; I160-Y164 WeakPolarHBondContact O-CD2 3.36Å; I160-Y164 PolarHBondContact O-N 3.34Å; I161-Y164 PolarHBondContact O-N 3.35Å; T162-Y164 PolarHBondContact O-N 3.48Å; Y164-G166 VanDerWaalsContact C-N 3.35Å; Y164-A167 PolarHBondContact O-N 2.87Å; Y164-F168 WeakPolarHBondContact O-CB 3.06Å; Y164-F168 PolarHBondContact O-N 2.9Å |
| 165 | N | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 175.3 | -77.5 | -93.1 | 0 | 0 | 0 | 111.3 | I161 T162 F168 D169 Y409 | I161-N165 PolarHBondContact O-N 2.97Å; I161-N165 PolarHBondContact O-ND2 2.69Å; T162-N165 PolarHBondContact O-N 3.18Å; N165-F168 WeakPolarHBondContact O-CB 3.48Å; N165-F168 PolarHBondContact O-N 3.34Å; N165-D169 PolarHBondContact O-N 3.44Å; N165-Y409 PolarHBondContact OD1-O 3.32Å |
| 166 | G | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T162 F163 Y164 D169 S170 V336 | T162-G166 PolarHBondContact O-N 2.98Å; F163-G166 PolarHBondContact O-N 2.89Å; Y164-G166 VanDerWaalsContact C-N 3.35Å; G166-D169 PolarHBondContact O-N 2.9Å; G166-S170 WeakPolarHBondContact O-CB 3.42Å; G166-S170 PolarHBondContact O-N 2.98Å; G166-S170 PolarHBondContact O-OG 3.42Å; G166-V336 PolarHBondContact O-N 3.18Å |
| 167 | A | 95.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.008 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C23 L24 F163 Y164 D169 S170 S171 V336 | C23-A167 HydrophobicContact CB-CB 3.77Å; L24-A167 WeakPolarHBondContact CA-O 3.42Å; L24-A167 HydrophobicContact CB-CB 4.26Å; F163-A167 PolarHBondContact O-N 2.97Å; Y164-A167 PolarHBondContact O-N 2.87Å; A167-D169 VanDerWaalsContact C-N 3.35Å; A167-D169 PolarHBondContact O-N 3.48Å; A167-S170 PolarHBondContact O-N 3.04Å; A167-S171 PolarHBondContact O-N 3.38Å; A167-S171 VanDerWaalsContact O-N 3.1Å; A167-V336 HydrophobicContact CB-CG2 4.34Å |
| 168 | F | 94.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 11.6 Ų | 11.6 | 4% | 0.039 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 172.2 | 177.8 | -83.2 | 0 | 0 | 0 | 111.7 | A27 G28 F31 I140 L143 Y164 N165 S170 S171 | A27-F168 VanDerWaalsContact C-CD2 3.43Å; A27-F168 HydrophobicContact CB-CD2 3.39Å; A27-F168 HydrophobicContact CB-CE2 3.98Å; A27-F168 HydrophobicContact CB-CG 4.35Å; A27-F168 WeakPolarHBondContact O-CE2 3.25Å; G28-F168 WeakPolarHBondContact CA-O 3.46Å; F31-F168 AromaticContact CD2-CE1 3.77Å; F31-F168 HydrophobicContact CD2-CE1 3.77Å; F31-F168 HydrophobicContact CD2-CZ 4.22Å; F31-F168 AromaticContact CE2-CE1 3.46Å; F31-F168 HydrophobicContact CE2-CE1 3.46Å; F31-F168 VanDerWaalsContact CE2-CE1 3.46Å; F31-F168 AromaticContact CE2-CZ 3.68Å; F31-F168 HydrophobicContact CE2-CZ 3.68Å; I140-F168 HydrophobicContact CD1-CE2 4.35Å; I140-F168 HydrophobicContact CD1-CZ 4.44Å; L143-F168 HydrophobicContact CB-CD2 3.76Å; L143-F168 HydrophobicContact CB-CE2 4.22Å; L143-F168 HydrophobicContact CD1-CB 4.19Å; L143-F168 HydrophobicContact CD2-CB 3.99Å; L143-F168 HydrophobicContact CD2-CD1 4.33Å; L143-F168 HydrophobicContact CD2-CD2 3.59Å; L143-F168 HydrophobicContact CD2-CE2 4.07Å; L143-F168 HydrophobicContact CD2-CG 3.74Å; L143-F168 HydrophobicContact CG-CD2 4.16Å; Y164-F168 WeakPolarHBondContact O-CB 3.06Å; Y164-F168 PolarHBondContact O-N 2.9Å; N165-F168 WeakPolarHBondContact O-CB 3.48Å; N165-F168 PolarHBondContact O-N 3.34Å; F168-S170 PolarHBondContact O-N 3.49Å; F168-S171 WeakPolarHBondContact O-CB 3.49Å; F168-S171 PolarHBondContact O-N 2.99Å; F168-S171 PolarHBondContact O-OG 3.32Å |
| 169 | D | 90.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.011 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 179.4 | -77.1 | -24.9 | 0 | 0 | 0 | 112.3 | N165 G166 A167 S171 S172 R405 | N165-D169 PolarHBondContact O-N 3.44Å; G166-D169 PolarHBondContact O-N 2.9Å; A167-D169 VanDerWaalsContact C-N 3.35Å; A167-D169 PolarHBondContact O-N 3.48Å; D169-S171 PolarHBondContact O-N 3.39Å; D169-S172 PolarHBondContact O-OG 3.09Å; D169-S172 VanDerWaalsContact O-OG 3.13Å; D169-R405 IonicContact OD1-CZ 3.73Å; D169-R405 IonicContact OD1-NE 3.09Å; D169-R405 PolarHBondContact OD1-NE 2.97Å; D169-R405 IonicContact OD1-NH2 2.74Å; D169-R405 PolarHBondContact OD1-NH2 3.23Å; D169-R405 IonicContact OD2-NE 3.79Å |
| 170 | S | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.007 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.8 | -21.3 | 177 | -73.7 | 0 | 0 | 0 | 0 | 114.3 | L24 G166 A167 F168 S172 G173 Q332 L333 G335 V336 | L24-S170 VanDerWaalsContact CD1-CB 3.45Å; G166-S170 WeakPolarHBondContact O-CB 3.42Å; G166-S170 PolarHBondContact O-N 2.98Å; G166-S170 PolarHBondContact O-OG 3.42Å; A167-S170 PolarHBondContact O-N 3.04Å; F168-S170 PolarHBondContact O-N 3.49Å; S170-S172 PolarHBondContact O-N 3.19Å; S170-S172 VanDerWaalsContact O-N 3.14Å; S170-G173 PolarHBondContact O-N 3.29Å; S170-G173 VanDerWaalsContact O-N 3.1Å; S170-Q332 WeakPolarHBondContact CA-O 3.3Å; S170-Q332 PolarHBondContact OG-O 3.33Å; S170-L333 WeakPolarHBondContact CB-O 3.38Å; S170-L333 VanDerWaalsContact OG-C 3.32Å; S170-L333 PolarHBondContact OG-O 3.04Å; S170-G335 PolarHBondContact OG-N 3.29Å; S170-V336 WeakPolarHBondContact OG-CB 3.45Å; S170-V336 PolarHBondContact OG-N 3.04Å |
| 171 | S | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.1 | -179.3 | 72.2 | 0 | 0 | 0 | 0 | 114.5 | C23 L24 G28 V29 A167 F168 D169 G173 V174 | C23-S171 VanDerWaalsContact O-CB 3.32Å; C23-S171 WeakPolarHBondContact O-CB 3.21Å; L24-S171 WeakPolarHBondContact O-CA 3.32Å; L24-S171 WeakPolarHBondContact O-CB 3.49Å; G28-S171 WeakPolarHBondContact CA-OG 3.47Å; G28-S171 PolarHBondContact N-OG 3.3Å; G28-S171 PolarHBondContact O-OG 3.17Å; V29-S171 PolarHBondContact N-OG 2.87Å; A167-S171 PolarHBondContact O-N 3.38Å; A167-S171 VanDerWaalsContact O-N 3.1Å; F168-S171 WeakPolarHBondContact O-CB 3.49Å; F168-S171 PolarHBondContact O-N 2.99Å; F168-S171 PolarHBondContact O-OG 3.32Å; D169-S171 PolarHBondContact O-N 3.39Å; S171-G173 PolarHBondContact O-N 3.31Å; S171-G173 VanDerWaalsContact O-N 3.13Å; S171-V174 VanDerWaalsContact O-CB 3.32Å; S171-V174 WeakPolarHBondContact O-CB 3.45Å; S171-V174 VanDerWaalsContact O-CG2 3.3Å; S171-V174 WeakPolarHBondContact O-CG2 3.29Å; S171-V174 PolarHBondContact O-N 3.39Å |
| 172 | S | 90.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.5 | 169.5 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | G32 D169 S170 V174 F175 Q332 | G32-S172 WeakPolarHBondContact CA-O 3.33Å; D169-S172 PolarHBondContact O-OG 3.09Å; D169-S172 VanDerWaalsContact O-OG 3.13Å; S170-S172 PolarHBondContact O-N 3.19Å; S170-S172 VanDerWaalsContact O-N 3.14Å; S172-V174 PolarHBondContact O-N 3.49Å; S172-F175 PolarHBondContact O-N 3.17Å; S172-Q332 WeakPolarHBondContact OG-CB 3.43Å; S172-Q332 VanDerWaalsContact OG-CD 3.32Å; S172-Q332 PolarHBondContact OG-OE1 3.45Å |
| 173 | G | 90.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.8 | -13.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S170 S171 F175 L176 I177 | S170-G173 PolarHBondContact O-N 3.29Å; S170-G173 VanDerWaalsContact O-N 3.1Å; S171-G173 PolarHBondContact O-N 3.31Å; S171-G173 VanDerWaalsContact O-N 3.13Å; G173-F175 VanDerWaalsContact C-N 3.31Å; G173-F175 PolarHBondContact O-N 3Å; G173-L176 WeakPolarHBondContact O-CB 3.27Å; G173-L176 PolarHBondContact O-N 3.17Å; G173-L176 VanDerWaalsContact O-N 3.15Å; G173-I177 WeakPolarHBondContact O-CG1 3.5Å; G173-I177 PolarHBondContact O-N 3.08Å |
| 174 | V | 94.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 13% | 0.127 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 172.8 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | C25 V29 S171 S172 L176 I177 I178 L195 | C25-V174 WeakPolarHBondContact O-CG2 3.27Å; V29-V174 HydrophobicContact CG1-CB 3.9Å; V29-V174 HydrophobicContact CG1-CG1 4.21Å; V29-V174 HydrophobicContact CG1-CG2 4.12Å; S171-V174 VanDerWaalsContact O-CB 3.32Å; S171-V174 WeakPolarHBondContact O-CB 3.45Å; S171-V174 VanDerWaalsContact O-CG2 3.3Å; S171-V174 WeakPolarHBondContact O-CG2 3.29Å; S171-V174 PolarHBondContact O-N 3.39Å; S172-V174 PolarHBondContact O-N 3.49Å; V174-L176 VanDerWaalsContact C-N 3.3Å; V174-L176 PolarHBondContact O-N 3.48Å; V174-I177 WeakPolarHBondContact O-CB 3.24Å; V174-I177 PolarHBondContact O-N 3.05Å; V174-I177 VanDerWaalsContact O-N 3.16Å; V174-I178 WeakPolarHBondContact O-CG1 3.41Å; V174-I178 PolarHBondContact O-N 2.79Å; V174-L195 HydrophobicContact CG1-CD1 4.43Å; V174-L195 HydrophobicContact CG1-CD2 4.19Å |
| 175 | F | 94 | Very high | 93 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.7 | -27.7 | 175.5 | -74.9 | -0.3 | 0 | 0 | 0 | 112.6 | V29 G32 L36 L132 S172 G173 I178 K179 F192 | V29-F175 HydrophobicContact CB-CD1 4.21Å; V29-F175 HydrophobicContact CB-CE1 3.88Å; V29-F175 HydrophobicContact CB-CZ 4.16Å; V29-F175 HydrophobicContact CG2-CE1 3.88Å; V29-F175 HydrophobicContact CG2-CZ 3.9Å; V29-F175 WeakPolarHBondContact O-CD2 3.24Å; V29-F175 VanDerWaalsContact O-CE2 3.29Å; V29-F175 WeakPolarHBondContact O-CE2 3.49Å; G32-F175 WeakPolarHBondContact O-CB 3.33Å; L36-F175 HydrophobicContact CB-CB 4.4Å; L36-F175 HydrophobicContact CB-CD2 3.68Å; L36-F175 HydrophobicContact CB-CE2 4.16Å; L36-F175 HydrophobicContact CB-CG 4.19Å; L36-F175 HydrophobicContact CD2-CD2 3.99Å; L36-F175 HydrophobicContact CD2-CE2 3.58Å; L36-F175 HydrophobicContact CD2-CZ 3.97Å; L36-F175 HydrophobicContact CG-CD2 4.37Å; L36-F175 HydrophobicContact CG-CE2 4.43Å; L132-F175 HydrophobicContact CD2-CE2 4.4Å; L132-F175 HydrophobicContact CD2-CZ 4.27Å; S172-F175 PolarHBondContact O-N 3.17Å; G173-F175 VanDerWaalsContact C-N 3.31Å; G173-F175 PolarHBondContact O-N 3Å; F175-I178 HydrophobicContact CD1-CD1 3.83Å; F175-I178 HydrophobicContact CE1-CD1 4.26Å; F175-I178 PolarHBondContact O-N 3.45Å; F175-K179 PolarHBondContact O-N 2.74Å; F175-F192 HydrophobicContact CE1-CE1 4.17Å; F175-F192 AromaticContact CE1-CZ 3.79Å; F175-F192 HydrophobicContact CE1-CZ 3.79Å; F175-F192 HydrophobicContact CZ-CZ 4.19Å |
| 176 | L | 91.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 168.3 | 179.1 | 67 | 0 | 0 | 0 | 111.3 | G173 V174 I178 K179 I180 A329 M330 | G173-L176 WeakPolarHBondContact O-CB 3.27Å; G173-L176 PolarHBondContact O-N 3.17Å; G173-L176 VanDerWaalsContact O-N 3.15Å; V174-L176 VanDerWaalsContact C-N 3.3Å; V174-L176 PolarHBondContact O-N 3.48Å; L176-I178 VanDerWaalsContact C-N 3.31Å; L176-I178 PolarHBondContact O-N 3.04Å; L176-K179 WeakPolarHBondContact O-CB 3.3Å; L176-K179 PolarHBondContact O-N 2.77Å; L176-I180 HydrophobicContact CD1-CD1 4.36Å; L176-I180 HydrophobicContact CG-CD1 4.08Å; L176-I180 WeakPolarHBondContact O-CG1 3.46Å; L176-I180 PolarHBondContact O-N 3.11Å; L176-A329 HydrophobicContact CB-CB 4.03Å; L176-A329 HydrophobicContact CD1-CB 3.97Å; L176-A329 HydrophobicContact CD2-CB 3.76Å; L176-A329 HydrophobicContact CG-CB 4.12Å; L176-M330 HydrophobicContact CD2-CG 4.16Å |
| 177 | I | 93.4 | Very high | 93.1 | Very high | 97 Ų | 97 | 37.4 Ų | 37.4 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 174.8 | -65.7 | 167.5 | 0 | 0 | 0 | 109.9 | G173 V174 K179 I180 L181 | G173-I177 WeakPolarHBondContact O-CG1 3.5Å; G173-I177 PolarHBondContact O-N 3.08Å; V174-I177 WeakPolarHBondContact O-CB 3.24Å; V174-I177 PolarHBondContact O-N 3.05Å; V174-I177 VanDerWaalsContact O-N 3.16Å; I177-K179 PolarHBondContact O-N 2.87Å; I177-I180 PolarHBondContact O-N 3.09Å; I177-L181 HydrophobicContact CG2-CD1 3.89Å; I177-L181 HydrophobicContact CG2-CG 4.3Å; I177-L181 VanDerWaalsContact O-CG 3.25Å; I177-L181 WeakPolarHBondContact O-CG 3.43Å; I177-L181 PolarHBondContact O-N 3.3Å |
| 178 | I | 94.1 | Very high | 93 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 175.2 | -65 | 174.7 | 0 | 0 | 0 | 111 | V174 F175 L176 I180 L181 H182 L188 F192 L195 | V174-I178 WeakPolarHBondContact O-CG1 3.41Å; V174-I178 PolarHBondContact O-N 2.79Å; F175-I178 HydrophobicContact CD1-CD1 3.83Å; F175-I178 HydrophobicContact CE1-CD1 4.26Å; F175-I178 PolarHBondContact O-N 3.45Å; L176-I178 VanDerWaalsContact C-N 3.31Å; L176-I178 PolarHBondContact O-N 3.04Å; I178-I180 PolarHBondContact O-N 2.74Å; I178-L181 PolarHBondContact O-N 2.92Å; I178-H182 WeakPolarHBondContact O-CB 3.42Å; I178-H182 PolarHBondContact O-N 3.13Å; I178-L188 HydrophobicContact CG2-CD1 4.11Å; I178-F192 HydrophobicContact CD1-CD2 4.33Å; I178-F192 HydrophobicContact CD1-CE2 3.75Å; I178-F192 HydrophobicContact CD1-CZ 4Å; I178-F192 HydrophobicContact CG2-CE2 4.46Å; I178-L195 HydrophobicContact CD1-CD1 3.89Å |
| 179 | K | 92 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.2 | -49.4 | 176 | 178.6 | -173.7 | 167.6 | -176.1 | 0 | 111.8 | F38 V39 F175 L176 I177 L181 H182 E183 S322 N326 | F38-K179 HydrophobicContact CB-CD 4.27Å; F38-K179 HydrophobicContact CD1-CD 4.09Å; F38-K179 VanDerWaalsContact CD1-CE 3.48Å; F38-K179 HydrophobicContact CD1-CG 4.16Å; F38-K179 HydrophobicContact CG-CD 4.31Å; V39-K179 HydrophobicContact CG2-CB 3.84Å; V39-K179 HydrophobicContact CG2-CG 4.02Å; F175-K179 PolarHBondContact O-N 2.74Å; L176-K179 WeakPolarHBondContact O-CB 3.3Å; L176-K179 PolarHBondContact O-N 2.77Å; I177-K179 PolarHBondContact O-N 2.87Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 2.98Å; K179-H182 WeakPolarHBondContact O-CB 3.3Å; K179-H182 PolarHBondContact O-N 3.12Å; K179-H182 VanDerWaalsContact O-N 3.14Å; K179-E183 WeakPolarHBondContact CE-OE1 3.21Å; K179-E183 IonicContact NZ-OE1 3.94Å; K179-E183 WeakPolarHBondContact O-CG 3.32Å; K179-E183 PolarHBondContact O-N 3.36Å; K179-S322 PolarHBondContact NZ-OG 2.81Å; K179-S322 VanDerWaalsContact NZ-OG 3.14Å; K179-N326 PolarHBondContact NZ-OD1 3.31Å |
| 180 | I | 91.6 | Very high | 93.3 | Very high | 65 Ų | 65 | 44.6 Ų | 44.6 | 33% | 0.333 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.6 | -36.5 | -179.8 | -65.5 | 166.9 | 0 | 0 | 0 | 111.5 | L176 I177 I178 H182 R184 | L176-I180 HydrophobicContact CD1-CD1 4.36Å; L176-I180 HydrophobicContact CG-CD1 4.08Å; L176-I180 WeakPolarHBondContact O-CG1 3.46Å; L176-I180 PolarHBondContact O-N 3.11Å; I177-I180 PolarHBondContact O-N 3.09Å; I178-I180 PolarHBondContact O-N 2.74Å; I180-H182 VanDerWaalsContact C-N 3.35Å; I180-R184 WeakPolarHBondContact O-CG 3.32Å; I180-R184 PolarHBondContact O-N 3.33Å |
| 181 | L | 93.9 | Very high | 93.4 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.9 | -37.1 | 174.9 | -67.9 | 172 | 0 | 0 | 0 | 111.3 | I177 I178 K179 R184 G185 I186 | I177-L181 HydrophobicContact CG2-CD1 3.89Å; I177-L181 HydrophobicContact CG2-CG 4.3Å; I177-L181 VanDerWaalsContact O-CG 3.25Å; I177-L181 WeakPolarHBondContact O-CG 3.43Å; I177-L181 PolarHBondContact O-N 3.3Å; I178-L181 PolarHBondContact O-N 2.92Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 2.98Å; L181-R184 CarbonylContact O-C 3.59Å; L181-R184 WeakPolarHBondContact O-CB 3.48Å; L181-R184 PolarHBondContact O-N 2.98Å; L181-R184 VanDerWaalsContact O-N 3.16Å; L181-G185 PolarHBondContact O-N 2.98Å; L181-I186 HydrophobicContact CB-CB 4.23Å; L181-I186 HydrophobicContact CB-CD1 4Å; L181-I186 HydrophobicContact CD2-CD1 3.68Å; L181-I186 HydrophobicContact CG-CD1 4.31Å; L181-I186 WeakPolarHBondContact O-CB 3.44Å; L181-I186 PolarHBondContact O-N 2.83Å |
| 182 | H | 93.7 | Very high | 93.4 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 11% | 0.111 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 176.1 | -162.4 | -100.8 | 0 | 0 | 0 | 112.3 | V39 E42 D43 I178 K179 I180 R184 G185 I186 | V39-H182 HydrophobicContact CG1-CB 4.1Å; V39-H182 HydrophobicContact CG2-CB 4.14Å; E42-H182 IonicContact OE2-CE1 3.34Å; E42-H182 PolarHBondContact OE2-CE1 3.48Å; E42-H182 IonicContact OE2-ND1 2.94Å; E42-H182 PolarHBondContact OE2-ND1 3.2Å; D43-H182 IonicContact OD1-CE1 3.31Å; D43-H182 PolarHBondContact OD1-CE1 3.38Å; D43-H182 VanDerWaalsContact OD1-CE1 3.23Å; D43-H182 IonicContact OD1-NE2 3.5Å; D43-H182 PolarHBondContact OD1-NE2 2.98Å; D43-H182 IonicContact OD2-NE2 3.23Å; I178-H182 WeakPolarHBondContact O-CB 3.42Å; I178-H182 PolarHBondContact O-N 3.13Å; K179-H182 WeakPolarHBondContact O-CB 3.3Å; K179-H182 PolarHBondContact O-N 3.12Å; K179-H182 VanDerWaalsContact O-N 3.14Å; I180-H182 VanDerWaalsContact C-N 3.35Å; H182-R184 PolarHBondContact O-N 2.72Å; H182-G185 WeakPolarHBondContact O-CA 3.47Å; H182-G185 PolarHBondContact O-N 3.17Å; H182-I186 WeakPolarHBondContact CA-O 3.41Å; H182-I186 PolarHBondContact CD2-O 3.5Å; H182-I186 VanDerWaalsContact CD2-O 3.31Å |
| 183 | E | 90.5 | Very high | 93.7 | Very high | 95 Ų | 95 | 48.1 Ų | 48.1 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -20.9 | 174.8 | -70 | 173 | 174.1 | 0 | 0 | 112.6 | K179 | K179-E183 WeakPolarHBondContact CE-OE1 3.21Å; K179-E183 IonicContact NZ-OE1 3.94Å; K179-E183 WeakPolarHBondContact O-CG 3.32Å; K179-E183 PolarHBondContact O-N 3.36Å |
| 184 | R | 92.9 | Very high | 94 | Very high | 200 Ų | 200 | 50.6 Ų | 50.6 | 76% | 0.755 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 5.4 | 174.6 | -66.9 | 178 | -176.8 | -165.2 | 1 | 113.9 | I180 L181 H182 | I180-R184 WeakPolarHBondContact O-CG 3.32Å; I180-R184 PolarHBondContact O-N 3.33Å; L181-R184 CarbonylContact O-C 3.59Å; L181-R184 WeakPolarHBondContact O-CB 3.48Å; L181-R184 PolarHBondContact O-N 2.98Å; L181-R184 VanDerWaalsContact O-N 3.16Å; H182-R184 PolarHBondContact O-N 2.72Å |
| 185 | G | 92 | Very high | 94 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 72% | 0.722 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | 10 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L181 H182 | L181-G185 PolarHBondContact O-N 2.98Å; H182-G185 WeakPolarHBondContact O-CA 3.47Å; H182-G185 PolarHBondContact O-N 3.17Å |
| 186 | I | 95.1 | Very high | 94.1 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 36% | 0.359 | 28% | 0.284 | S | S | . | . | trans | -84.1 | 119.1 | 173 | -64 | 166.4 | 0 | 0 | 0 | 109 | L181 H182 | L181-I186 HydrophobicContact CB-CB 4.23Å; L181-I186 HydrophobicContact CB-CD1 4Å; L181-I186 HydrophobicContact CD2-CD1 3.68Å; L181-I186 HydrophobicContact CG-CD1 4.31Å; L181-I186 WeakPolarHBondContact O-CB 3.44Å; L181-I186 PolarHBondContact O-N 2.83Å; H182-I186 WeakPolarHBondContact CA-O 3.41Å; H182-I186 PolarHBondContact CD2-O 3.5Å; H182-I186 VanDerWaalsContact CD2-O 3.31Å | ||
| 187 | S | 95.1 | Very high | 94.2 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 38% | 0.378 | 31% | 0.31 | S | S | . | . | trans | -59.6 | 148.6 | 179.9 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | Q189 S190 S191 | S187-Q189 PolarHBondContact O-N 3.45Å; S187-S190 PolarHBondContact O-N 2.9Å; S187-S190 PolarHBondContact OG-N 3.22Å; S187-S190 PolarHBondContact OG-OG 3.29Å; S187-S191 PolarHBondContact O-N 2.8Å | ||
| 188 | L | 94.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.7 | -41.6 | 173.6 | -173.6 | 69.2 | 0 | 0 | 0 | 112.1 | L36 V39 L40 V117 I178 S190 S191 F192 | L36-L188 HydrophobicContact CD1-CD1 4.01Å; V39-L188 HydrophobicContact CG1-CD1 3.91Å; L40-L188 HydrophobicContact CD2-CD2 3.91Å; V117-L188 HydrophobicContact CG1-CD2 4.25Å; V117-L188 HydrophobicContact CG1-CG 4.44Å; I178-L188 HydrophobicContact CG2-CD1 4.11Å; L188-S190 PolarHBondContact O-N 3.32Å; L188-S191 PolarHBondContact O-N 3.4Å; L188-F192 HydrophobicContact CD1-CD2 3.75Å; L188-F192 HydrophobicContact CD1-CE2 3.5Å; L188-F192 HydrophobicContact CG-CD2 4.04Å; L188-F192 HydrophobicContact CG-CE2 4.21Å; L188-F192 WeakPolarHBondContact O-CD2 3.21Å; L188-F192 PolarHBondContact O-N 3.16Å; L188-F192 VanDerWaalsContact O-N 3.09Å |
| 189 | Q | 95.4 | Very high | 94.2 | Very high | 91 Ų | 91 | 53.4 Ų | 53.4 | 43% | 0.425 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.9 | -49.9 | 178.2 | 174.5 | 171.3 | 30.7 | 0 | 0 | 112.1 | A118 S187 S191 F192 L193 | A118-Q189 WeakPolarHBondContact O-CB 3.27Å; A118-Q189 WeakPolarHBondContact O-CG 3.38Å; S187-Q189 PolarHBondContact O-N 3.45Å; Q189-S191 VanDerWaalsContact C-N 3.33Å; Q189-S191 PolarHBondContact O-N 2.78Å; Q189-F192 PolarHBondContact O-N 3.47Å; Q189-L193 HydrophobicContact CG-CD1 3.99Å; Q189-L193 HydrophobicContact CG-CG 4.43Å; Q189-L193 WeakPolarHBondContact O-CB 3.46Å; Q189-L193 WeakPolarHBondContact O-CG 3.49Å; Q189-L193 PolarHBondContact O-N 3.44Å |
| 190 | S | 95.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 59 Ų | 59 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | -179.7 | -64.3 | 0 | 0 | 0 | 0 | 112 | S187 L188 L193 A194 | S187-S190 PolarHBondContact O-N 2.9Å; S187-S190 PolarHBondContact OG-N 3.22Å; S187-S190 PolarHBondContact OG-OG 3.29Å; L188-S190 PolarHBondContact O-N 3.32Å; S190-L193 PolarHBondContact O-N 3.49Å; S190-A194 PolarHBondContact O-N 3.06Å |
| 191 | S | 96.3 | Very high | 94.3 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 178.3 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | S187 L188 Q189 A194 L195 | S187-S191 PolarHBondContact O-N 2.8Å; L188-S191 PolarHBondContact O-N 3.4Å; Q189-S191 VanDerWaalsContact C-N 3.33Å; Q189-S191 PolarHBondContact O-N 2.78Å; S191-A194 PolarHBondContact O-N 3.03Å; S191-L195 PolarHBondContact O-N 3.25Å; S191-L195 VanDerWaalsContact O-N 3.13Å |
| 192 | F | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -76.2 | -27.5 | 179.7 | -84.5 | -90.8 | 0 | 0 | 0 | 113.6 | L36 T114 V117 A118 I135 F175 I178 L188 Q189 L195 S196 | L36-F192 HydrophobicContact CD1-CE2 4.13Å; L36-F192 HydrophobicContact CD1-CZ 4.22Å; T114-F192 HydrophobicContact CG2-CD1 4.27Å; V117-F192 HydrophobicContact CB-CB 4.5Å; V117-F192 HydrophobicContact CB-CD1 3.63Å; V117-F192 HydrophobicContact CB-CD2 4.3Å; V117-F192 HydrophobicContact CB-CE1 3.82Å; V117-F192 HydrophobicContact CB-CE2 4.48Å; V117-F192 HydrophobicContact CB-CG 3.89Å; V117-F192 HydrophobicContact CB-CZ 4.25Å; V117-F192 HydrophobicContact CG1-CD1 3.83Å; V117-F192 HydrophobicContact CG1-CD2 3.62Å; V117-F192 HydrophobicContact CG1-CE1 3.79Å; V117-F192 HydrophobicContact CG1-CE2 3.61Å; V117-F192 HydrophobicContact CG1-CG 3.73Å; V117-F192 HydrophobicContact CG1-CZ 3.69Å; V117-F192 HydrophobicContact CG2-CD1 4.16Å; V117-F192 HydrophobicContact CG2-CE1 3.91Å; V117-F192 HydrophobicContact CG2-CZ 4.4Å; A118-F192 HydrophobicContact CB-CB 3.85Å; I135-F192 HydrophobicContact CD1-CE1 4.01Å; F175-F192 HydrophobicContact CE1-CE1 4.17Å; F175-F192 AromaticContact CE1-CZ 3.79Å; F175-F192 HydrophobicContact CE1-CZ 3.79Å; F175-F192 HydrophobicContact CZ-CZ 4.19Å; I178-F192 HydrophobicContact CD1-CD2 4.33Å; I178-F192 HydrophobicContact CD1-CE2 3.75Å; I178-F192 HydrophobicContact CD1-CZ 4Å; I178-F192 HydrophobicContact CG2-CE2 4.46Å; L188-F192 HydrophobicContact CD1-CD2 3.75Å; L188-F192 HydrophobicContact CD1-CE2 3.5Å; L188-F192 HydrophobicContact CG-CD2 4.04Å; L188-F192 HydrophobicContact CG-CE2 4.21Å; L188-F192 WeakPolarHBondContact O-CD2 3.21Å; L188-F192 PolarHBondContact O-N 3.16Å; L188-F192 VanDerWaalsContact O-N 3.09Å; Q189-F192 PolarHBondContact O-N 3.47Å; F192-L195 HydrophobicContact CD1-CD1 4.23Å; F192-L195 HydrophobicContact CE1-CD1 4.35Å; F192-L195 PolarHBondContact O-N 3.45Å; F192-S196 WeakPolarHBondContact O-CB 3.24Å; F192-S196 PolarHBondContact O-N 2.83Å; F192-S196 PolarHBondContact O-OG 3.38Å |
| 193 | L | 96.6 | Very high | 94.2 | Very high | 62 Ų | 62 | 60.2 Ų | 60.2 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 167.8 | -75.2 | 175.3 | 0 | 0 | 0 | 111.5 | L115 A118 F119 Q189 S190 L195 S196 L197 | L115-L193 HydrophobicContact CD2-CD2 4.2Å; A118-L193 HydrophobicContact CB-CD2 4.08Å; A118-L193 HydrophobicContact CB-CG 4.04Å; F119-L193 HydrophobicContact CZ-CD2 4.43Å; Q189-L193 HydrophobicContact CG-CD1 3.99Å; Q189-L193 HydrophobicContact CG-CG 4.43Å; Q189-L193 WeakPolarHBondContact O-CB 3.46Å; Q189-L193 WeakPolarHBondContact O-CG 3.49Å; Q189-L193 PolarHBondContact O-N 3.44Å; S190-L193 PolarHBondContact O-N 3.49Å; L193-L195 PolarHBondContact O-N 3.24Å; L193-S196 WeakPolarHBondContact O-CB 3.36Å; L193-S196 PolarHBondContact O-N 3.27Å; L193-S196 VanDerWaalsContact O-N 3.15Å; L193-L197 WeakPolarHBondContact O-CG 3.44Å; L193-L197 PolarHBondContact O-N 3.4Å |
| 194 | A | 95.7 | Very high | 94.4 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 44% | 0.438 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S190 S191 S196 L197 C198 | S190-A194 PolarHBondContact O-N 3.06Å; S191-A194 PolarHBondContact O-N 3.03Å; A194-S196 VanDerWaalsContact C-N 3.29Å; A194-S196 PolarHBondContact O-N 2.98Å; A194-L197 PolarHBondContact O-N 2.99Å; A194-C198 PolarHBondContact O-N 3.19Å; A194-C198 PolarHBondContact O-SG 3.46Å; A194-C198 VanDerWaalsContact O-SG 3.41Å |
| 195 | L | 94.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 173.5 | -71.1 | 178 | 0 | 0 | 0 | 112.5 | F26 T114 V174 I178 S191 F192 L193 C198 | F26-L195 HydrophobicContact CD1-CD2 4.41Å; F26-L195 HydrophobicContact CE1-CD2 3.87Å; T114-L195 HydrophobicContact CG2-CB 4.26Å; V174-L195 HydrophobicContact CG1-CD1 4.43Å; V174-L195 HydrophobicContact CG1-CD2 4.19Å; I178-L195 HydrophobicContact CD1-CD1 3.89Å; S191-L195 PolarHBondContact O-N 3.25Å; S191-L195 VanDerWaalsContact O-N 3.13Å; F192-L195 HydrophobicContact CD1-CD1 4.23Å; F192-L195 HydrophobicContact CE1-CD1 4.35Å; F192-L195 PolarHBondContact O-N 3.45Å; L193-L195 PolarHBondContact O-N 3.24Å; L195-C198 WeakPolarHBondContact O-CB 3.5Å; L195-C198 PolarHBondContact O-N 2.97Å |
| 196 | S | 95.6 | Very high | 94.3 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | T114 F192 L193 A194 C198 S199 | T114-S196 VanDerWaalsContact CB-OG 3.3Å; T114-S196 WeakPolarHBondContact CB-OG 3.09Å; T114-S196 PolarHBondContact OG1-OG 2.89Å; F192-S196 WeakPolarHBondContact O-CB 3.24Å; F192-S196 PolarHBondContact O-N 2.83Å; F192-S196 PolarHBondContact O-OG 3.38Å; L193-S196 WeakPolarHBondContact O-CB 3.36Å; L193-S196 PolarHBondContact O-N 3.27Å; L193-S196 VanDerWaalsContact O-N 3.15Å; A194-S196 VanDerWaalsContact C-N 3.29Å; A194-S196 PolarHBondContact O-N 2.98Å; S196-C198 VanDerWaalsContact C-N 3.29Å; S196-C198 PolarHBondContact O-N 3.27Å; S196-S199 WeakPolarHBondContact O-CB 3.04Å; S196-S199 PolarHBondContact O-N 3.18Å; S196-S199 VanDerWaalsContact O-N 3.08Å; S196-S199 PolarHBondContact O-OG 3.13Å |
| 197 | L | 94.9 | Very high | 94.1 | Very high | 118 Ų | 118 | 47.1 Ų | 47.1 | 62% | 0.618 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.3 | -32 | 176.9 | -70.9 | 172.1 | 0 | 0 | 0 | 113 | L193 A194 S199 I200 | L193-L197 WeakPolarHBondContact O-CG 3.44Å; L193-L197 PolarHBondContact O-N 3.4Å; A194-L197 PolarHBondContact O-N 2.99Å; L197-S199 PolarHBondContact O-N 3.1Å; L197-I200 WeakPolarHBondContact O-CG1 3.1Å; L197-I200 PolarHBondContact O-N 3.16Å; L197-I200 VanDerWaalsContact O-N 3.13Å |
| 198 | C | 93.7 | Very high | 93.8 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.9 | 174.7 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | F26 A194 L195 S196 I200 I201 H202 | F26-C198 HydrophobicContact CE1-CB 3.41Å; F26-C198 VanDerWaalsContact CE1-CB 3.41Å; F26-C198 HydrophobicContact CE2-CB 4.31Å; F26-C198 HydrophobicContact CZ-CB 3.28Å; A194-C198 PolarHBondContact O-N 3.19Å; A194-C198 PolarHBondContact O-SG 3.46Å; A194-C198 VanDerWaalsContact O-SG 3.41Å; L195-C198 WeakPolarHBondContact O-CB 3.5Å; L195-C198 PolarHBondContact O-N 2.97Å; S196-C198 VanDerWaalsContact C-N 3.29Å; S196-C198 PolarHBondContact O-N 3.27Å; C198-I200 PolarHBondContact O-N 3.2Å; C198-I200 VanDerWaalsContact O-N 3.17Å; C198-I201 VanDerWaalsContact O-CB 3.29Å; C198-I201 WeakPolarHBondContact O-CB 3.4Å; C198-I201 PolarHBondContact O-N 2.84Å; C198-H202 PolarHBondContact O-N 2.72Å |
| 199 | S | 92.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.5 | -28.4 | 173.5 | -51.4 | 0 | 0 | 0 | 0 | 113.3 | T111 S196 L197 I201 H202 V203 | T111-S199 WeakPolarHBondContact OG1-CB 3.42Å; T111-S199 PolarHBondContact OG1-OG 3.39Å; S196-S199 WeakPolarHBondContact O-CB 3.04Å; S196-S199 PolarHBondContact O-N 3.18Å; S196-S199 VanDerWaalsContact O-N 3.08Å; S196-S199 PolarHBondContact O-OG 3.13Å; L197-S199 PolarHBondContact O-N 3.1Å; S199-I201 PolarHBondContact O-N 3.37Å; S199-H202 WeakPolarHBondContact O-CB 3.47Å; S199-H202 PolarHBondContact O-N 3.27Å; S199-H202 VanDerWaalsContact O-N 3.13Å; S199-V203 WeakPolarHBondContact O-CG2 3.27Å; S199-V203 PolarHBondContact O-N 2.81Å |
| 200 | I | 93.3 | Very high | 93.3 | Very high | 120 Ų | 120 | 46.4 Ų | 46.4 | 62% | 0.615 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.2 | -39.1 | 173.9 | -61.5 | 171 | 0 | 0 | 0 | 110.6 | L197 C198 V203 A204 | L197-I200 WeakPolarHBondContact O-CG1 3.1Å; L197-I200 PolarHBondContact O-N 3.16Å; L197-I200 VanDerWaalsContact O-N 3.13Å; C198-I200 PolarHBondContact O-N 3.2Å; C198-I200 VanDerWaalsContact O-N 3.17Å; I200-V203 PolarHBondContact O-N 3.29Å; I200-A204 WeakPolarHBondContact O-CB 3.33Å; I200-A204 PolarHBondContact O-N 2.84Å |
| 201 | I | 93.1 | Very high | 92.8 | Very high | 113 Ų | 113 | 43.7 Ų | 43.7 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.4 | -40.5 | 178 | -56.4 | 174.1 | 0 | 0 | 0 | 110.2 | C198 S199 A204 R205 | C198-I201 VanDerWaalsContact O-CB 3.29Å; C198-I201 WeakPolarHBondContact O-CB 3.4Å; C198-I201 PolarHBondContact O-N 2.84Å; S199-I201 PolarHBondContact O-N 3.37Å; I201-A204 PolarHBondContact O-N 2.79Å; I201-R205 WeakPolarHBondContact O-CB 3.22Å; I201-R205 PolarHBondContact O-N 3.24Å |
| 202 | H | 92.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.8 | -60.1 | -48 | 0 | 0 | 0 | 112.6 | E22 F26 V107 C198 S199 T206 | E22-H202 IonicContact OE1-CE1 2.74Å; E22-H202 IonicContact OE1-CG 2.88Å; E22-H202 IonicContact OE1-ND1 3.86Å; E22-H202 PolarHBondContact OE1-ND1 3.33Å; F26-H202 AromaticContact CD1-NE2 3.6Å; F26-H202 AromaticContact CD2-CE1 3.19Å; F26-H202 WeakPolarHBondContact CD2-CE1 3.48Å; F26-H202 AromaticContact CD2-NE2 3.34Å; F26-H202 VanDerWaalsContact CD2-NE2 3.34Å; F26-H202 WeakPolarHBondContact CD2-NE2 3.46Å; F26-H202 AromaticContact CE2-CE1 3.7Å; F26-H202 AromaticContact CE2-NE2 3.8Å; F26-H202 AromaticContact CG-CE1 3.53Å; F26-H202 AromaticContact CG-NE2 3.22Å; F26-H202 WeakPolarHBondContact CG-NE2 3.28Å; V107-H202 HydrophobicContact CB-CB 4.49Å; V107-H202 HydrophobicContact CG1-CB 4.15Å; V107-H202 HydrophobicContact CG2-CB 3.46Å; V107-H202 VanDerWaalsContact CG2-CB 3.46Å; C198-H202 PolarHBondContact O-N 2.72Å; S199-H202 WeakPolarHBondContact O-CB 3.47Å; S199-H202 PolarHBondContact O-N 3.27Å; S199-H202 VanDerWaalsContact O-N 3.13Å; H202-T206 WeakPolarHBondContact O-CB 3.4Å; H202-T206 PolarHBondContact O-N 3.4Å; H202-T206 PolarHBondContact O-OG1 3.11Å |
| 203 | V | 94.1 | Very high | 91.7 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 33% | 0.333 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -50.8 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | V107 S199 I200 R205 T206 F207 | V107-V203 HydrophobicContact CG1-CG2 3.96Å; S199-V203 WeakPolarHBondContact O-CG2 3.27Å; S199-V203 PolarHBondContact O-N 2.81Å; I200-V203 PolarHBondContact O-N 3.29Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.04Å; V203-T206 WeakPolarHBondContact O-CB 3.48Å; V203-T206 PolarHBondContact O-N 3.43Å; V203-F207 HydrophobicContact CG1-CD2 3.82Å; V203-F207 HydrophobicContact CG1-CE2 3.74Å; V203-F207 VanDerWaalsContact O-CD2 3.3Å; V203-F207 WeakPolarHBondContact O-CD2 3.48Å; V203-F207 PolarHBondContact O-N 2.94Å; V203-F207 VanDerWaalsContact O-N 3.14Å |
| 204 | A | 92.9 | Very high | 91.1 | Very high | 44 Ų | 44 | 55.8 Ų | 55.8 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.5 | -48 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I200 I201 T206 F207 L208 | I200-A204 WeakPolarHBondContact O-CB 3.33Å; I200-A204 PolarHBondContact O-N 2.84Å; I201-A204 PolarHBondContact O-N 2.79Å; A204-T206 VanDerWaalsContact C-N 3.31Å; A204-T206 PolarHBondContact O-N 3.09Å; A204-F207 PolarHBondContact O-N 3.27Å; A204-L208 HydrophobicContact CB-CD1 4.45Å; A204-L208 VanDerWaalsContact O-CB 3.26Å; A204-L208 WeakPolarHBondContact O-CB 3.29Å; A204-L208 VanDerWaalsContact O-CG 3.23Å; A204-L208 WeakPolarHBondContact O-CG 3.3Å; A204-L208 PolarHBondContact O-N 3.31Å |
| 205 | R | 92 | Very high | 90.6 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -40.4 | 176.3 | -175.8 | 178.3 | 179.4 | -95 | -4.3 | 112.4 | T15 S18 E22 R103 N146 I201 V203 F207 L208 L209 M210 | T15-R205 PolarHBondContact O-NH2 2.87Å; S18-R205 PolarHBondContact OG-NE 3.39Å; E22-R205 IonicContact OE1-NH1 2.77Å; E22-R205 IonicContact OE2-CZ 3.77Å; E22-R205 IonicContact OE2-NH1 3.09Å; E22-R205 PolarHBondContact OE2-NH1 2.97Å; R103-R205 VanDerWaalsContact NH1-NH1 3.16Å; N146-R205 VanDerWaalsContact OD1-CZ 3.23Å; N146-R205 PolarHBondContact OD1-NH1 2.89Å; N146-R205 PolarHBondContact OD1-NH2 2.85Å; I201-R205 WeakPolarHBondContact O-CB 3.22Å; I201-R205 PolarHBondContact O-N 3.24Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.04Å; R205-F207 VanDerWaalsContact C-N 3.3Å; R205-F207 PolarHBondContact O-N 2.79Å; R205-L208 PolarHBondContact O-N 3.26Å; R205-L209 HydrophobicContact CG-CB 4.18Å; R205-L209 PolarHBondContact O-N 3.45Å; R205-M210 VanDerWaalsContact NH1-CE 3.32Å; R205-M210 PolarHBondContact O-N 2.97Å |
| 206 | T | 92 | Very high | 89.9 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | -179.9 | -59.7 | 0 | 0 | 0 | 0 | 112 | R103 L104 H202 V203 A204 | R103-T206 HydrophobicContact CB-CG2 3.65Å; R103-T206 HydrophobicContact CG-CG2 4.47Å; R103-T206 PolarHBondContact NE-OG1 3.44Å; R103-T206 PolarHBondContact NH2-OG1 3.46Å; L104-T206 HydrophobicContact CD2-CG2 4.49Å; H202-T206 WeakPolarHBondContact O-CB 3.4Å; H202-T206 PolarHBondContact O-N 3.4Å; H202-T206 PolarHBondContact O-OG1 3.11Å; V203-T206 WeakPolarHBondContact O-CB 3.48Å; V203-T206 PolarHBondContact O-N 3.43Å; A204-T206 VanDerWaalsContact C-N 3.31Å; A204-T206 PolarHBondContact O-N 3.09Å |
| 207 | F | 90.6 | Very high | 89.1 | Confident | 102 Ų | 102 | 56.8 Ų | 56.8 | 45% | 0.447 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -84 | -35.4 | 178.6 | -75.1 | -77.2 | 0 | 0 | 0 | 113.6 | M100 L104 V203 A204 R205 | M100-F207 HydrophobicContact CE-CD1 4.34Å; M100-F207 HydrophobicContact CE-CE1 3.39Å; M100-F207 HydrophobicContact CE-CZ 3.79Å; L104-F207 HydrophobicContact CD1-CZ 4.43Å; L104-F207 HydrophobicContact CD2-CE2 4.09Å; L104-F207 HydrophobicContact CD2-CZ 4.38Å; V203-F207 HydrophobicContact CG1-CD2 3.82Å; V203-F207 HydrophobicContact CG1-CE2 3.74Å; V203-F207 VanDerWaalsContact O-CD2 3.3Å; V203-F207 WeakPolarHBondContact O-CD2 3.48Å; V203-F207 PolarHBondContact O-N 2.94Å; V203-F207 VanDerWaalsContact O-N 3.14Å; A204-F207 PolarHBondContact O-N 3.27Å; R205-F207 VanDerWaalsContact C-N 3.3Å; R205-F207 PolarHBondContact O-N 2.79Å |
| 208 | L | 88.9 | Confident | 88.3 | Confident | 101 Ų | 101 | 56.3 Ų | 56.3 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -89.9 | -39.8 | -171.1 | -64.1 | 175.7 | 0 | 0 | 0 | 113.5 | A204 R205 V227 | A204-L208 HydrophobicContact CB-CD1 4.45Å; A204-L208 VanDerWaalsContact O-CB 3.26Å; A204-L208 WeakPolarHBondContact O-CB 3.29Å; A204-L208 VanDerWaalsContact O-CG 3.23Å; A204-L208 WeakPolarHBondContact O-CG 3.3Å; A204-L208 PolarHBondContact O-N 3.31Å; R205-L208 PolarHBondContact O-N 3.26Å; L208-V227 HydrophobicContact CD2-CG2 4.06Å |
| 209 | L | 88.7 | Confident | 87.7 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -5.1 | -169.8 | -75.7 | 86.8 | 0 | 0 | 0 | 114.4 | L14 T15 S18 R205 Y225 | L14-L209 HydrophobicContact CB-CD2 4.16Å; L14-L209 HydrophobicContact CD2-CD1 4.22Å; L14-L209 HydrophobicContact CD2-CD2 3.41Å; L14-L209 VanDerWaalsContact CD2-CD2 3.41Å; L14-L209 HydrophobicContact CD2-CG 3.89Å; L14-L209 HydrophobicContact CG-CD2 3.59Å; T15-L209 PolarHBondContact OG1-O 3.11Å; S18-L209 WeakPolarHBondContact OG-CD2 3.43Å; R205-L209 HydrophobicContact CG-CB 4.18Å; R205-L209 PolarHBondContact O-N 3.45Å; L209-Y225 WeakPolarHBondContact O-CE2 3.2Å |
| 210 | M | 89 | Confident | 87 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -110.6 | 144.1 | -178.8 | -83.1 | -75.8 | 175.7 | 0 | 0 | 111.9 | T15 T99 N146 V149 R205 | T15-M210 HydrophobicContact CG2-CE 4.24Å; T99-M210 HydrophobicContact CG2-CB 4.36Å; T99-M210 HydrophobicContact CG2-SD 4.02Å; N146-M210 WeakPolarHBondContact OD1-CE 3.43Å; V149-M210 HydrophobicContact CG2-CE 3.78Å; R205-M210 VanDerWaalsContact NH1-CE 3.32Å; R205-M210 PolarHBondContact O-N 2.97Å |
| 211 | P | 86.2 | Confident | 85.9 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | trans | -68.9 | 155.7 | 172.8 | 31 | -35.2 | 0 | 0 | 0 | 110.8 | T99 I215 Y225 | T99-P211 WeakPolarHBondContact CB-O 3.43Å; P211-I215 HydrophobicContact CG-CD1 4.34Å; P211-I215 HydrophobicContact CG-CG1 3.74Å; P211-Y225 HydrophobicContact CB-CG 4.32Å | ||
| 212 | R | 84.4 | Confident | 84.8 | Confident | 197 Ų | 197 | 63.9 Ų | 63.9 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -68.4 | -43.9 | 176.1 | -71.4 | -175.1 | 176.3 | 173.3 | -1.2 | 112.5 | T99 M100 | T99-R212 PolarHBondContact N-O 3.13Å; M100-R212 PolarHBondContact N-O 2.86Å; M100-R212 HydrophobicContact SD-CG 4.41Å |
| 213 | T | 84.1 | Confident | 84.1 | Confident | 68 Ų | 68 | 65.2 Ų | 65.2 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -102.8 | -90.1 | -173.8 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | G98 T99 | G98-T213 CarbonylContact C-O 3.29Å; G98-T213 WeakPolarHBondContact CA-O 3.33Å; T99-T213 VanDerWaalsContact CB-O 3.3Å; T99-T213 WeakPolarHBondContact CB-O 3.46Å; T99-T213 PolarHBondContact N-O 2.97Å; T99-T213 PolarHBondContact OG1-O 3.31Å |
| 214 | H | 84.4 | Confident | 83.2 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 29% | 0.292 | 34% | 0.336 | S | S | . | . | trans | -147.5 | 155.2 | -175.5 | -64 | -78.7 | 0 | 0 | 0 | 111.6 | F94 P216 | F94-H214 AromaticContact CE1-CE1 3.94Å; F94-H214 AromaticContact CE1-ND1 3.74Å; F94-H214 AromaticContact CZ-ND1 3.7Å; F94-H214 PolarHBondContact O-CE1 2.64Å; F94-H214 PolarHBondContact O-NE2 2.92Å; H214-P216 WeakPolarHBondContact O-CD 3.28Å | ||
| 215 | I | 84.9 | Confident | 82.7 | Confident | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | trans | -88.6 | 108.3 | 164.9 | -53.9 | -177 | 0 | 0 | 0 | 108.4 | Q148 V149 N151 L152 P211 L219 F223 | Q148-I215 HydrophobicContact CB-CB 4.42Å; Q148-I215 HydrophobicContact CG-CB 4.35Å; Q148-I215 HydrophobicContact CG-CD1 3.98Å; Q148-I215 HydrophobicContact CG-CG1 4.05Å; V149-I215 HydrophobicContact CG2-CD1 4.39Å; N151-I215 HydrophobicContact CB-CB 4.39Å; N151-I215 HydrophobicContact CB-CG2 3.72Å; N151-I215 PolarHBondContact ND2-O 2.7Å; L152-I215 HydrophobicContact CD1-CD1 4.06Å; L152-I215 HydrophobicContact CD2-CD1 4.09Å; L152-I215 HydrophobicContact CD2-CG2 3.58Å; L152-I215 HydrophobicContact CG-CD1 3.94Å; L152-I215 HydrophobicContact CG-CG2 4.09Å; P211-I215 HydrophobicContact CG-CD1 4.34Å; P211-I215 HydrophobicContact CG-CG1 3.74Å; I215-L219 HydrophobicContact CG2-CD2 3.94Å; I215-F223 HydrophobicContact CG1-CE1 4.49Å; I215-F223 HydrophobicContact CG2-CE1 4.01Å; I215-F223 HydrophobicContact CG2-CZ 4.41Å | ||
| 216 | P | 80.9 | Confident | 81.6 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 31% | 0.312 | 34% | 0.336 | S | S | . | . | trans | -67.8 | 154.3 | -178.8 | 30 | -35.7 | 0 | 0 | 0 | 111.9 | H214 L219 P220 F223 | H214-P216 WeakPolarHBondContact O-CD 3.28Å; P216-L219 WeakPolarHBondContact O-CD2 3.47Å; P216-P220 VanDerWaalsContact CG-CD 3.46Å; P216-P220 HydrophobicContact CG-CG 4.08Å; P216-F223 HydrophobicContact CG-CD2 4.19Å; P216-F223 HydrophobicContact CG-CE2 4.02Å | ||
| 217 | Y | 78.1 | Confident | 80.4 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 20% | 0.204 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -138.1 | 121.4 | 171 | -174.7 | -98.3 | 0 | 0 | 0 | 109.4 | N151 A154 E360 | N151-Y217 HydrophobicContact CB-CD2 4.2Å; A154-Y217 HydrophobicContact CB-CE2 4.22Å; Y217-E360 PolarHBondContact OH-OE1 3.19Å |
| 218 | P | 78.1 | Confident | 78.7 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 71% | 0.708 | 35% | 0.354 | S | S | * | . | S | Bend | cis | -66.8 | 159.8 | 0.1 | 28.8 | -35.3 | 0 | 0 | 0 | 113.5 | ||
| 219 | L | 81 | Confident | 76.3 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 128.9 | -180 | -68.6 | 167 | 0 | 0 | 0 | 110.7 | N151 L152 I215 P216 F223 | N151-L219 WeakPolarHBondContact O-CD1 3.42Å; N151-L219 WeakPolarHBondContact O-CG 3.18Å; L152-L219 HydrophobicContact CD2-CD2 4.12Å; I215-L219 HydrophobicContact CG2-CD2 3.94Å; P216-L219 WeakPolarHBondContact O-CD2 3.47Å; L219-F223 HydrophobicContact CD2-CD1 4Å; L219-F223 HydrophobicContact CD2-CE1 4.49Å; L219-F223 HydrophobicContact CD2-CG 4.4Å |
| 220 | P | 78.2 | Confident | 73.7 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 19% | 0.188 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 152 | 172.7 | 25.7 | -29.3 | 0 | 0 | 0 | 111.2 | P216 R222 F223 | P216-P220 VanDerWaalsContact CG-CD 3.46Å; P216-P220 HydrophobicContact CG-CG 4.08Å; P220-R222 PolarHBondContact O-N 3.15Å; P220-F223 HydrophobicContact CG-CB 4.21Å; P220-F223 HydrophobicContact CG-CD2 4.15Å; P220-F223 PolarHBondContact O-N 3.19Å |
| 221 | P | 69.3 | Low | 71.4 | Confident | 126 Ų | 126 | 79.1 Ų | 79.1 | 82% | 0.818 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 129.9 | 177.1 | 22.5 | -30.1 | 0 | 0 | 0 | 110.3 | ||
| 222 | R | 70.2 | Confident | 69 | Low | 222 Ų | 222 | 81.5 Ų | 81.5 | 84% | 0.838 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 28.5 | -178 | -51.6 | 179.3 | 176.9 | 175.1 | 1.2 | 116.3 | P220 T224 | P220-R222 PolarHBondContact O-N 3.15Å; R222-T224 PolarHBondContact O-N 3.16Å |
| 223 | F | 77.6 | Confident | 66.7 | Low | 30 Ų | 30 | 79.2 Ų | 79.2 | 13% | 0.132 | 45% | 0.454 | C | S | . | . | trans | -56.8 | 128 | 170.6 | -174.1 | -107.8 | 0 | 0 | 0 | 112 | Y12 L152 I215 P216 L219 P220 Y225 | Y12-F223 PolarHBondContact OH-O 2.7Å; Y12-F223 VanDerWaalsContact OH-O 3.1Å; L152-F223 HydrophobicContact CD2-CD1 4.25Å; L152-F223 HydrophobicContact CD2-CE1 4.11Å; I215-F223 HydrophobicContact CG1-CE1 4.49Å; I215-F223 HydrophobicContact CG2-CE1 4.01Å; I215-F223 HydrophobicContact CG2-CZ 4.41Å; P216-F223 HydrophobicContact CG-CD2 4.19Å; P216-F223 HydrophobicContact CG-CE2 4.02Å; L219-F223 HydrophobicContact CD2-CD1 4Å; L219-F223 HydrophobicContact CD2-CE1 4.49Å; L219-F223 HydrophobicContact CD2-CG 4.4Å; P220-F223 HydrophobicContact CG-CB 4.21Å; P220-F223 HydrophobicContact CG-CD2 4.15Å; P220-F223 PolarHBondContact O-N 3.19Å; F223-Y225 HydrophobicContact CD1-CD1 4.18Å; F223-Y225 AromaticContact CE1-CD1 3.53Å; F223-Y225 HydrophobicContact CE1-CD1 3.53Å; F223-Y225 HydrophobicContact CE1-CE1 4.13Å; F223-Y225 HydrophobicContact CZ-CD1 4.22Å | ||
| 224 | T | 76.8 | Confident | 64.3 | Low | 68 Ų | 68 | 80.1 Ų | 80.1 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | trans | -140.5 | 151.3 | 172.2 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | R222 | R222-T224 PolarHBondContact O-N 3.16Š| ||
| 225 | Y | 81.7 | Confident | 62.3 | Low | 20 Ų | 20 | 84.2 Ų | 84.2 | 8% | 0.078 | 48% | 0.477 | C | S | . | . | trans | -145.7 | 173.5 | 178.1 | 62.7 | -91.4 | 0 | 0 | 0 | 111 | R11 Y12 T15 L152 L209 P211 F223 | R11-Y225 PolarHBondContact NH1-O 3.07Å; Y12-Y225 AromaticContact CD1-CE1 3.81Å; Y12-Y225 HydrophobicContact CD1-CE1 3.81Å; Y12-Y225 AromaticContact CD1-CZ 3.98Å; Y12-Y225 WeakPolarHBondContact CD1-OH 3.45Å; Y12-Y225 HydrophobicContact CE1-CD1 4.31Å; Y12-Y225 AromaticContact CE1-CE1 3.5Å; Y12-Y225 HydrophobicContact CE1-CE1 3.5Å; T15-Y225 WeakPolarHBondContact CB-OH 3.29Å; T15-Y225 HydrophobicContact CG2-CE2 4.35Å; T15-Y225 PolarHBondContact OG1-OH 3.49Å; T15-Y225 VanDerWaalsContact OG1-OH 3.04Å; L152-Y225 HydrophobicContact CD1-CE1 3.77Å; L152-Y225 WeakPolarHBondContact CD1-OH 3.23Å; L152-Y225 HydrophobicContact CD2-CE1 3.81Å; L152-Y225 HydrophobicContact CG-CE1 4.45Å; L209-Y225 WeakPolarHBondContact O-CE2 3.2Å; P211-Y225 HydrophobicContact CB-CG 4.32Å; F223-Y225 HydrophobicContact CD1-CD1 4.18Å; F223-Y225 AromaticContact CE1-CD1 3.53Å; F223-Y225 HydrophobicContact CE1-CD1 3.53Å; F223-Y225 HydrophobicContact CE1-CE1 4.13Å; F223-Y225 HydrophobicContact CZ-CD1 4.22Å | ||
| 226 | G | 69.6 | Low | 60 | Low | 31 Ų | 31 | 87.9 Ų | 87.9 | 32% | 0.32 | 50% | 0.496 | S | S | . | . | S | Bend | trans | 89.7 | -176.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | N228 | G226-N228 PolarHBondContact O-N 2.89Š|
| 227 | V | 65.8 | Low | 58.4 | Low | 85 Ų | 85 | 90.8 Ų | 90.8 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | trans | -70.3 | 112 | 179.3 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | L208 | L208-V227 HydrophobicContact CD2-CG2 4.06Š| ||
| 228 | N | 55.4 | Low | 56.8 | Low | 63 Ų | 63 | 95.9 Ų | 95.9 | 34% | 0.337 | 54% | 0.539 | S | S | . | . | trans | -92.3 | 108.4 | 169.9 | -96.1 | -5.4 | 0 | 0 | 0 | 109.2 | R11 G226 G230 | R11-N228 PolarHBondContact NH1-OD1 3.39Å; G226-N228 PolarHBondContact O-N 2.89Å; N228-G230 PolarHBondContact O-N 3.4Å | ||
| 229 | C | 38.7 | Very low | 54.9 | Low | 136 Ų | 136 | 96.6 Ų | 96.6 | 92% | 0.919 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -73.1 | 82.7 | 157.7 | -72.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 230 | G | 32.9 | Very low | 53.2 | Low | 51 Ų | 51 | 97 Ų | 97 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | S | Bend | trans | 134.5 | 131.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N228 | N228-G230 PolarHBondContact O-N 3.4Š|
| 231 | Q | 42.1 | Very low | 51.5 | Low | 190 Ų | 190 | 101.9 Ų | 101.9 | 89% | 0.888 | 56% | 0.556 | S | S | * | * | trans | -37.2 | 127.5 | -174 | -74.5 | 170.3 | -30 | 0 | 0 | 115.6 | ||||
| 232 | A | 34.2 | Very low | 49.9 | Very low | 59 Ų | 59 | 104 Ų | 104 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | 163.8 | 128.7 | 124.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 233 | D | 36.6 | Very low | 48.3 | Very low | 149 Ų | 149 | 96.8 Ų | 96.8 | 80% | 0.797 | 53% | 0.528 | S | S | * | . | trans | 43.3 | 93.3 | 156.6 | -54.1 | -22.5 | 0 | 0 | 0 | 119.2 | Y235 | D233-Y235 PolarHBondContact O-N 3.44Å; D233-Y235 VanDerWaalsContact O-N 3.11Å | ||
| 234 | S | 34.2 | Very low | 46.5 | Very low | 88 Ų | 88 | 102.9 Ų | 102.9 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | trans | -62.1 | 109 | 153.3 | 56.8 | 0 | 0 | 0 | 0 | 108.6 | N236 | S234-N236 VanDerWaalsContact C-N 3.33Å; S234-N236 PolarHBondContact O-N 3.27Å | ||
| 235 | Y | 42.9 | Very low | 44.6 | Very low | 149 Ų | 149 | 106 Ų | 106 | 58% | 0.584 | 57% | 0.565 | S | S | * | * | trans | -61.5 | 92 | 175 | -138.7 | -97.6 | 0 | 0 | 0 | 109.7 | D233 | D233-Y235 PolarHBondContact O-N 3.44Å; D233-Y235 VanDerWaalsContact O-N 3.11Å | ||
| 236 | N | 36.3 | Very low | 42.3 | Very low | 81 Ų | 81 | 110.9 Ų | 110.9 | 43% | 0.433 | 59% | 0.588 | S | S | . | * | trans | -90.5 | 114.2 | 172.9 | -90.3 | -32.6 | 0 | 0 | 0 | 108.6 | S234 E238 Q239 | S234-N236 VanDerWaalsContact C-N 3.33Å; S234-N236 PolarHBondContact O-N 3.27Å; N236-E238 PolarHBondContact O-N 3.13Å; N236-E238 VanDerWaalsContact O-N 3.12Å; N236-Q239 HydrophobicContact CB-CB 4.21Å; N236-Q239 WeakPolarHBondContact O-CB 3.22Å; N236-Q239 PolarHBondContact O-N 3.14Å | ||
| 237 | V | 47.1 | Very low | 40.7 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 66% | 0.661 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.7 | -22.6 | 178.5 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 238 | E | 43.4 | Very low | 39.5 | Very low | 160 Ų | 160 | 115.9 Ų | 115.9 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.3 | -27.3 | 173.3 | -76.9 | -177.3 | 154.9 | 0 | 0 | 113.7 | N236 K241 R242 | N236-E238 PolarHBondContact O-N 3.13Å; N236-E238 VanDerWaalsContact O-N 3.12Å; E238-K241 PolarHBondContact O-N 3.26Å; E238-R242 PolarHBondContact O-N 2.72Å; E238-R242 VanDerWaalsContact O-N 3.15Å |
| 239 | Q | 38.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 58% | 0.575 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.5 | -36.6 | -177.4 | -139.4 | 171 | -3 | 0 | 0 | 111.1 | N236 K241 R242 T243 | N236-Q239 HydrophobicContact CB-CB 4.21Å; N236-Q239 WeakPolarHBondContact O-CB 3.22Å; N236-Q239 PolarHBondContact O-N 3.14Å; Q239-K241 PolarHBondContact O-N 2.77Å; Q239-R242 PolarHBondContact O-N 2.9Å; Q239-T243 PolarHBondContact O-N 3.41Å; Q239-T243 PolarHBondContact O-OG1 2.95Å |
| 240 | V | 45.2 | Very low | 38.2 | Very low | 67 Ų | 67 | 113.7 Ų | 113.7 | 41% | 0.406 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.8 | -27.9 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | K244 | V240-K244 HydrophobicContact CG1-CD 4.48Å; V240-K244 WeakPolarHBondContact O-CB 3.47Å; V240-K244 VanDerWaalsContact O-CG 3.3Å; V240-K244 WeakPolarHBondContact O-CG 3.42Å; V240-K244 PolarHBondContact O-N 3.07Å |
| 241 | K | 43.8 | Very low | 38 | Very low | 132 Ų | 132 | 121 Ų | 121 | 57% | 0.574 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.3 | -43.3 | 172.8 | -78.8 | -173.5 | 172.5 | -170.4 | 0 | 111.8 | E238 Q239 K244 E245 | E238-K241 PolarHBondContact O-N 3.26Å; Q239-K241 PolarHBondContact O-N 2.77Å; K241-K244 PolarHBondContact O-N 3.13Å; K241-E245 WeakPolarHBondContact O-CG 3.47Å; K241-E245 PolarHBondContact O-N 2.94Å |
| 242 | R | 34.4 | Very low | 37.3 | Very low | 170 Ų | 170 | 115.7 Ų | 115.7 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.1 | -41.1 | 177.7 | -77.8 | -160.4 | -173.2 | -179.3 | 3.1 | 113.2 | E238 Q239 K244 E245 E246 | E238-R242 PolarHBondContact O-N 2.72Å; E238-R242 VanDerWaalsContact O-N 3.15Å; Q239-R242 PolarHBondContact O-N 2.9Å; R242-K244 VanDerWaalsContact C-N 3.27Å; R242-K244 PolarHBondContact O-N 3.22Å; R242-E245 PolarHBondContact O-N 2.74Å; R242-E245 VanDerWaalsContact O-N 3.12Å; R242-E246 VanDerWaalsContact O-CB 3.31Å; R242-E246 WeakPolarHBondContact O-CB 3.48Å; R242-E246 WeakPolarHBondContact O-CG 3.36Å; R242-E246 PolarHBondContact O-N 3.02Å |
| 243 | T | 37.1 | Very low | 36.9 | Very low | 72 Ų | 72 | 118.5 Ų | 118.5 | 44% | 0.442 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -64.1 | -35.3 | 176.7 | -43.8 | 0 | 0 | 0 | 0 | 111.3 | Q239 D247 | Q239-T243 PolarHBondContact O-N 3.41Å; Q239-T243 PolarHBondContact O-OG1 2.95Å; T243-D247 VanDerWaalsContact O-CB 3.31Å; T243-D247 WeakPolarHBondContact O-CB 3.4Å; T243-D247 VanDerWaalsContact O-CG 3.28Å; T243-D247 PolarHBondContact O-N 3.44Å |
| 244 | K | 39.9 | Very low | 36.3 | Very low | 158 Ų | 158 | 116.9 Ų | 116.9 | 69% | 0.687 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.9 | -26.2 | 173.5 | -76.2 | -174.4 | 174.9 | -166.1 | 0 | 114.5 | V240 K241 R242 A248 | V240-K244 HydrophobicContact CG1-CD 4.48Å; V240-K244 WeakPolarHBondContact O-CB 3.47Å; V240-K244 VanDerWaalsContact O-CG 3.3Å; V240-K244 WeakPolarHBondContact O-CG 3.42Å; V240-K244 PolarHBondContact O-N 3.07Å; K241-K244 PolarHBondContact O-N 3.13Å; R242-K244 VanDerWaalsContact C-N 3.27Å; R242-K244 PolarHBondContact O-N 3.22Å; K244-A248 WeakPolarHBondContact O-CB 3.46Å |
| 245 | E | 37.7 | Very low | 35.8 | Very low | 133 Ų | 133 | 115.9 Ų | 115.9 | 62% | 0.621 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -87.5 | -30.9 | 176.3 | -76.3 | 171.9 | 179.2 | 0 | 0 | 112.2 | K241 R242 A248 S249 | K241-E245 WeakPolarHBondContact O-CG 3.47Å; K241-E245 PolarHBondContact O-N 2.94Å; R242-E245 PolarHBondContact O-N 2.74Å; R242-E245 VanDerWaalsContact O-N 3.12Å; E245-A248 PolarHBondContact O-N 3.49Å; E245-S249 PolarHBondContact O-OG 3.25Å |
| 246 | E | 33.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 58% | 0.575 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77 | -38.4 | 176.4 | -74 | 173.2 | 178.8 | 0 | 0 | 111.6 | R242 A248 S249 | R242-E246 VanDerWaalsContact O-CB 3.31Å; R242-E246 WeakPolarHBondContact O-CB 3.48Å; R242-E246 WeakPolarHBondContact O-CG 3.36Å; R242-E246 PolarHBondContact O-N 3.02Å; E246-A248 PolarHBondContact O-N 2.86Å; E246-S249 PolarHBondContact O-N 3.3Å; E246-S249 PolarHBondContact O-OG 3.05Å |
| 247 | D | 34.5 | Very low | 34.3 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -19 | 171.4 | -74 | -21.3 | 0 | 0 | 0 | 112.6 | T243 | T243-D247 VanDerWaalsContact O-CB 3.31Å; T243-D247 WeakPolarHBondContact O-CB 3.4Å; T243-D247 VanDerWaalsContact O-CG 3.28Å; T243-D247 PolarHBondContact O-N 3.44Å |
| 248 | A | 40.6 | Very low | 33.3 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -6.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | K244 E245 E246 | K244-A248 WeakPolarHBondContact O-CB 3.46Å; E245-A248 PolarHBondContact O-N 3.49Å; E246-A248 PolarHBondContact O-N 2.86Å |
| 249 | S | 32.7 | Very low | 32.3 | Very low | 99 Ų | 99 | 123.5 Ų | 123.5 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | 1.3 | -172.3 | 55.6 | 0 | 0 | 0 | 0 | 115.3 | E245 E246 | E245-S249 PolarHBondContact O-OG 3.25Å; E246-S249 PolarHBondContact O-N 3.3Å; E246-S249 PolarHBondContact O-OG 3.05Å |
| 250 | G | 35.1 | Very low | 31.6 | Very low | 53 Ų | 53 | 121.9 Ų | 121.9 | 55% | 0.546 | 70% | 0.703 | S | S | . | * | trans | -132.4 | 76.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 251 | Q | 29.7 | Very low | 30.7 | Very low | 204 Ų | 204 | 128.6 Ų | 128.6 | 95% | 0.953 | 73% | 0.727 | S | S | * | * | trans | -176.5 | 98.8 | 140.4 | -105.3 | 165.5 | 13.6 | 0 | 0 | 111.3 | ||||
| 252 | G | 26.8 | Very low | 29.9 | Very low | 79 Ų | 79 | 127.1 Ų | 127.1 | 81% | 0.814 | 73% | 0.733 | S | S | * | * | trans | -108.8 | 117.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 253 | S | 24.7 | Very low | 29.4 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | 154.9 | 112.8 | 135 | -179.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 254 | S | 25.4 | Very low | 28.8 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 79.6 | 94.9 | 137.8 | -166.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 255 | G | 23.9 | Very low | 28.1 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | 102.8 | 113.3 | 104.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 256 | K | 24 | Very low | 27.6 | Very low | 199 Ų | 199 | 132.2 Ų | 132.2 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | 71.8 | 134.7 | 153.1 | -62.2 | -178.1 | 175.8 | -176.6 | 0 | 117.4 | ||||
| 257 | D | 23.6 | Very low | 27.4 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | cis | -148.8 | 158.7 | 24.2 | -100 | -30.4 | 0 | 0 | 0 | 112.7 | ||||
| 258 | E | 25.4 | Very low | 27 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -3.5 | 129.5 | 165.1 | -58.2 | -179 | 154.1 | 0 | 0 | 120.3 | ||||
| 259 | T | 22 | Very low | 26.1 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | -173.2 | 131.7 | 117.5 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 260 | A | 24.1 | Very low | 26.2 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | 66.8 | 108.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 121 | S262 | A260-S262 PolarHBondContact O-N 2.88Š| ||
| 261 | K | 26.6 | Very low | 26.6 | Very low | 207 Ų | 207 | 145.5 Ų | 145.5 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | trans | -48.5 | 122.5 | 150.1 | -77.1 | 170.5 | 167.6 | 175.4 | 0 | 111.7 | ||||
| 262 | S | 26.6 | Very low | 27.6 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | 163.7 | 103.3 | 133.5 | 53.3 | 0 | 0 | 0 | 0 | 109 | A260 | A260-S262 PolarHBondContact O-N 2.88Š| ||
| 263 | D | 23.8 | Very low | 29.7 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | 166 | 70.5 | 142.3 | -87.5 | -18.3 | 0 | 0 | 0 | 110.1 | ||||
| 264 | E | 25.3 | Very low | 32.3 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -102.3 | 25.7 | 165.7 | -77 | -171.2 | 155.7 | 0 | 0 | 111.7 | ||
| 265 | T | 25.1 | Very low | 35.3 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -129.8 | 20.8 | -172.3 | -4.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 266 | E | 25.8 | Very low | 38.3 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -127.4 | 44.3 | 178.2 | -68.6 | -156.8 | 156 | 0 | 0 | 115.3 | ||||
| 267 | V | 29.8 | Very low | 41.3 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -117.3 | 6.4 | 170.2 | -172 | 0 | 0 | 0 | 0 | 113.7 | ||
| 268 | E | 25.4 | Very low | 44.5 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -101.3 | -0.1 | -172.7 | -102.1 | -171.3 | 162.6 | 0 | 0 | 118.7 | ||
| 269 | N | 23.2 | Very low | 47.6 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 91% | 0.909 | 70% | 0.697 | S | S | * | * | trans | -121.2 | 53.3 | -177.1 | -83.5 | -35 | 0 | 0 | 0 | 115.6 | ||||
| 270 | A | 34.3 | Very low | 50.9 | Low | 91 Ų | 91 | 124 Ų | 124 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -91.2 | 102.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | K272 | A270-K272 PolarHBondContact O-N 3.35Š|
| 271 | E | 42.9 | Very low | 54.1 | Low | 181 Ų | 181 | 125.2 Ų | 125.2 | 85% | 0.846 | 66% | 0.658 | S | S | * | * | trans | -42.7 | 116.6 | 176.3 | -86.8 | -176.7 | 144.3 | 0 | 0 | 111 | V273 | E271-V273 PolarHBondContact O-N 3.28Š| ||
| 272 | K | 50.9 | Low | 57.3 | Low | 202 Ų | 202 | 116.7 Ų | 116.7 | 88% | 0.878 | 62% | 0.624 | S | S | * | * | trans | -59.3 | 103.2 | 175.6 | -75.5 | 177.3 | -179.4 | 170.9 | 0 | 108.8 | A270 | A270-K272 PolarHBondContact O-N 3.35Š| ||
| 273 | V | 70.8 | Confident | 60.4 | Low | 90 Ų | 90 | 118.7 Ų | 118.7 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 124 | 175.1 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | E271 S275 P421 | E271-V273 PolarHBondContact O-N 3.28Å; V273-S275 PolarHBondContact O-N 3.05Å; V273-P421 HydrophobicContact CG1-CB 4.01Å; V273-P421 HydrophobicContact CG1-CG 4.12Å |
| 274 | P | 78.6 | Confident | 63.6 | Low | 59 Ų | 59 | 113.7 Ų | 113.7 | 38% | 0.383 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 140.5 | -173.9 | 23.3 | -31.7 | 0 | 0 | 0 | 110.7 | P421 | P274-P421 HydrophobicContact CG-CG 3.58Š|
| 275 | S | 88.3 | Confident | 66.9 | Low | 72 Ų | 72 | 104.4 Ų | 104.4 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 148.9 | 179.1 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | V273 R277 S278 C279 | V273-S275 PolarHBondContact O-N 3.05Å; S275-R277 PolarHBondContact O-N 2.94Å; S275-S278 WeakPolarHBondContact O-CA 3.33Å; S275-S278 WeakPolarHBondContact O-CB 3.22Å; S275-S278 PolarHBondContact O-N 2.71Å; S275-S278 PolarHBondContact OG-N 3.35Å; S275-C279 PolarHBondContact O-N 3.21Å; S275-C279 VanDerWaalsContact O-N 3.1Å |
| 276 | F | 87.3 | Confident | 70.2 | Confident | 70 Ų | 70 | 101.7 Ų | 101.7 | 31% | 0.307 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -50.1 | -43.6 | 176.7 | 175.9 | -105.3 | 0 | 0 | 0 | 113 | S278 C279 V280 H424 K427 L428 L431 | F276-S278 VanDerWaalsContact C-N 3.31Å; F276-S278 PolarHBondContact O-N 2.99Å; F276-C279 WeakPolarHBondContact O-CB 3.35Å; F276-C279 PolarHBondContact O-N 3.29Å; F276-C279 VanDerWaalsContact O-N 3.14Å; F276-V280 HydrophobicContact CD1-CG2 4.33Å; F276-V280 HydrophobicContact CD2-CG2 4.29Å; F276-V280 HydrophobicContact CE1-CG2 3.89Å; F276-V280 HydrophobicContact CE2-CG2 3.84Å; F276-V280 HydrophobicContact CZ-CG2 3.63Å; F276-V280 WeakPolarHBondContact O-CG2 3.29Å; F276-V280 PolarHBondContact O-N 3.47Å; F276-H424 HydrophobicContact CD2-CB 4.29Å; F276-K427 HydrophobicContact CD2-CB 4.24Å; F276-K427 HydrophobicContact CE2-CB 3.63Å; F276-K427 HydrophobicContact CZ-CB 4.23Å; F276-L428 HydrophobicContact CD2-CD2 4.04Å; F276-L428 HydrophobicContact CD2-CG 4.19Å; F276-L428 HydrophobicContact CE2-CD2 3.72Å; F276-L428 HydrophobicContact CE2-CG 3.97Å; F276-L431 HydrophobicContact CZ-CD2 4.1Å |
| 277 | R | 88.3 | Confident | 73.5 | Confident | 191 Ų | 191 | 96.3 Ų | 96.3 | 72% | 0.721 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | 178.4 | -173.7 | 177.6 | 178.7 | -178.1 | 0.4 | 112.1 | S275 C279 V280 L281 | S275-R277 PolarHBondContact O-N 2.94Å; R277-C279 VanDerWaalsContact C-N 3.34Å; R277-V280 PolarHBondContact O-N 3.48Å; R277-L281 HydrophobicContact CG-CD1 3.91Å; R277-L281 WeakPolarHBondContact O-CB 3.3Å; R277-L281 WeakPolarHBondContact O-CG 3.22Å; R277-L281 PolarHBondContact O-N 3.2Å; R277-L281 VanDerWaalsContact O-N 3.09Å |
| 278 | S | 90 | Very high | 76.7 | Confident | 70 Ų | 70 | 89.3 Ų | 89.3 | 49% | 0.49 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 175.9 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | S275 F276 S282 | S275-S278 WeakPolarHBondContact O-CA 3.33Å; S275-S278 WeakPolarHBondContact O-CB 3.22Å; S275-S278 PolarHBondContact O-N 2.71Å; S275-S278 PolarHBondContact OG-N 3.35Å; F276-S278 VanDerWaalsContact C-N 3.31Å; F276-S278 PolarHBondContact O-N 2.99Å; S278-S282 PolarHBondContact O-N 3.41Å |
| 279 | C | 89.8 | Confident | 80.1 | Confident | 7 Ų | 7 | 81.5 Ų | 81.5 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 176.2 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | S275 F276 R277 S282 F285 F420 L428 | S275-C279 PolarHBondContact O-N 3.21Å; S275-C279 VanDerWaalsContact O-N 3.1Å; F276-C279 WeakPolarHBondContact O-CB 3.35Å; F276-C279 PolarHBondContact O-N 3.29Å; F276-C279 VanDerWaalsContact O-N 3.14Å; R277-C279 VanDerWaalsContact C-N 3.34Å; C279-S282 VanDerWaalsContact O-CB 3.27Å; C279-S282 WeakPolarHBondContact O-CB 3.41Å; C279-S282 PolarHBondContact O-N 2.89Å; C279-S282 PolarHBondContact O-OG 3.4Å; C279-F285 WeakPolarHBondContact O-CB 3.45Å; C279-F420 HydrophobicContact CB-CD1 3.78Å; C279-F420 HydrophobicContact CB-CE1 4.04Å; C279-L428 HydrophobicContact CB-CD1 4.03Å; C279-L428 HydrophobicContact CB-CD2 3.98Å |
| 280 | V | 92 | Very high | 83.5 | Confident | 30 Ų | 30 | 76.3 Ų | 76.3 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.2 | -38.3 | -178.4 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | F276 R277 S282 F285 L428 L431 | F276-V280 HydrophobicContact CD1-CG2 4.33Å; F276-V280 HydrophobicContact CD2-CG2 4.29Å; F276-V280 HydrophobicContact CE1-CG2 3.89Å; F276-V280 HydrophobicContact CE2-CG2 3.84Å; F276-V280 HydrophobicContact CZ-CG2 3.63Å; F276-V280 WeakPolarHBondContact O-CG2 3.29Å; F276-V280 PolarHBondContact O-N 3.47Å; R277-V280 PolarHBondContact O-N 3.48Å; V280-S282 PolarHBondContact O-N 2.89Å; V280-F285 HydrophobicContact CG1-CD1 4.28Å; V280-F285 HydrophobicContact CG1-CE1 4.1Å; V280-F285 WeakPolarHBondContact O-CD1 3.42Å; V280-L428 HydrophobicContact CG2-CD2 3.75Å; V280-L431 HydrophobicContact CB-CD2 4.31Å; V280-L431 HydrophobicContact CG1-CD2 3.72Å; V280-L431 HydrophobicContact CG2-CD2 3.53Å |
| 281 | L | 90.9 | Very high | 86.5 | Confident | 116 Ų | 116 | 72.1 Ų | 72.1 | 61% | 0.607 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3.9 | 177.9 | -66.5 | 173.4 | 0 | 0 | 0 | 113.4 | R277 | R277-L281 HydrophobicContact CG-CD1 3.91Å; R277-L281 WeakPolarHBondContact O-CB 3.3Å; R277-L281 WeakPolarHBondContact O-CG 3.22Å; R277-L281 PolarHBondContact O-N 3.2Å; R277-L281 VanDerWaalsContact O-N 3.09Å |
| 282 | S | 93.3 | Very high | 89 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -74 | 147.3 | 178.5 | 74.5 | 0 | 0 | 0 | 0 | 111.9 | S278 C279 V280 F284 F285 L286 | S278-S282 PolarHBondContact O-N 3.41Å; C279-S282 VanDerWaalsContact O-CB 3.27Å; C279-S282 WeakPolarHBondContact O-CB 3.41Å; C279-S282 PolarHBondContact O-N 2.89Å; C279-S282 PolarHBondContact O-OG 3.4Å; V280-S282 PolarHBondContact O-N 2.89Å; S282-F284 PolarHBondContact O-N 3.23Å; S282-F285 PolarHBondContact O-N 3.06Å; S282-F285 VanDerWaalsContact O-N 3.13Å; S282-F285 WeakPolarHBondContact OG-CB 3.33Å; S282-F285 PolarHBondContact OG-N 3.14Å; S282-F285 VanDerWaalsContact OG-N 3.15Å; S282-L286 PolarHBondContact O-N 3.35Å; S282-L286 VanDerWaalsContact O-N 3.17Å |
| 283 | W | 92.6 | Very high | 91.1 | Very high | 142 Ų | 142 | 53.9 Ų | 53.9 | 54% | 0.538 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -30.1 | 172.8 | -120.1 | -151.1 | 0 | 0 | 0 | 112.8 | L286 W287 Y478 | W283-L286 HydrophobicContact CE3-CB 4.3Å; W283-L286 HydrophobicContact CE3-CD1 3.48Å; W283-L286 VanDerWaalsContact CE3-CD1 3.48Å; W283-L286 HydrophobicContact CE3-CG 4.46Å; W283-L286 HydrophobicContact CH2-CD1 4.29Å; W283-L286 HydrophobicContact CZ3-CB 4.46Å; W283-L286 HydrophobicContact CZ3-CD1 3.2Å; W283-L286 HydrophobicContact CZ3-CG 4.43Å; W283-L286 PolarHBondContact O-N 3Å; W283-W287 AromaticContact CD1-CD1 3.93Å; W283-W287 AromaticContact CD1-NE1 3.29Å; W283-W287 VanDerWaalsContact CD1-NE1 3.29Å; W283-W287 AromaticContact CE2-NE1 3.87Å; W283-W287 AromaticContact CG-CD1 4Å; W283-W287 AromaticContact CG-NE1 3.7Å; W283-W287 AromaticContact NE1-NE1 3.39Å; W283-W287 WeakPolarHBondContact O-CB 3.36Å; W283-W287 PolarHBondContact O-N 3.4Å; W283-Y478 HydrophobicContact CB-CE1 4.25Å; W283-Y478 HydrophobicContact CB-CE2 4.43Å; W283-Y478 WeakPolarHBondContact CB-OH 3.41Å; W283-Y478 AromaticContact CD1-CE2 3.73Å; W283-Y478 AromaticContact CD1-CZ 3.96Å; W283-Y478 HydrophobicContact CG-CE2 4.49Å |
| 284 | F | 91.4 | Very high | 92.3 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 172 | -82.9 | -75.4 | 0 | 0 | 0 | 111.8 | S282 H288 L365 F415 F420 Y478 V479 H482 | S282-F284 PolarHBondContact O-N 3.23Å; F284-H288 WeakPolarHBondContact O-CB 3.45Å; F284-H288 PolarHBondContact O-N 3Å; F284-L365 HydrophobicContact CE1-CD1 4.37Å; F284-L365 HydrophobicContact CE1-CD2 4.24Å; F284-L365 HydrophobicContact CZ-CD2 4.01Å; F284-F415 HydrophobicContact CD1-CZ 4.16Å; F284-F420 HydrophobicContact CB-CZ 4.33Å; F284-Y478 HydrophobicContact CD1-CD1 4.43Å; F284-Y478 HydrophobicContact CD1-CE1 4.15Å; F284-Y478 HydrophobicContact CD2-CE1 4.29Å; F284-Y478 HydrophobicContact CE1-CD1 4.41Å; F284-Y478 HydrophobicContact CE1-CE1 4.18Å; F284-Y478 HydrophobicContact CE2-CE1 4.3Å; F284-Y478 HydrophobicContact CG-CE1 4.22Å; F284-Y478 HydrophobicContact CZ-CE1 4.25Å; F284-V479 HydrophobicContact CD1-CG2 4.31Å; F284-V479 HydrophobicContact CE1-CB 4.49Å; F284-V479 HydrophobicContact CE1-CG1 4.47Å; F284-V479 HydrophobicContact CE1-CG2 3.96Å; F284-H482 AromaticContact CE2-CD2 3.94Å; F284-H482 AromaticContact CE2-CE1 3.82Å; F284-H482 AromaticContact CE2-CG 3.9Å; F284-H482 AromaticContact CE2-ND1 3.83Å; F284-H482 AromaticContact CE2-NE2 3.89Å; F284-H482 HydrophobicContact CZ-CB 3.92Å; F284-H482 AromaticContact CZ-CD2 3.48Å; F284-H482 VanDerWaalsContact CZ-CD2 3.48Å; F284-H482 WeakPolarHBondContact CZ-CD2 3.28Å; F284-H482 AromaticContact CZ-CG 3.49Å; F284-H482 VanDerWaalsContact CZ-CG 3.49Å; F284-H482 AromaticContact CZ-ND1 3.91Å; F284-H482 AromaticContact CZ-NE2 3.89Å |
| 285 | F | 94.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 179.3 | -175.9 | -92.1 | 0 | 0 | 0 | 111.7 | C279 V280 S282 H288 L289 F420 L428 L431 V432 L435 | C279-F285 WeakPolarHBondContact O-CB 3.45Å; V280-F285 HydrophobicContact CG1-CD1 4.28Å; V280-F285 HydrophobicContact CG1-CE1 4.1Å; V280-F285 WeakPolarHBondContact O-CD1 3.42Å; S282-F285 PolarHBondContact O-N 3.06Å; S282-F285 VanDerWaalsContact O-N 3.13Å; S282-F285 WeakPolarHBondContact OG-CB 3.33Å; S282-F285 PolarHBondContact OG-N 3.14Å; S282-F285 VanDerWaalsContact OG-N 3.15Å; F285-H288 PolarHBondContact O-N 3.41Å; F285-L289 HydrophobicContact CE1-CD2 4.31Å; F285-L289 VanDerWaalsContact O-CB 3.24Å; F285-L289 WeakPolarHBondContact O-CB 3.33Å; F285-L289 PolarHBondContact O-N 3.29Å; F285-F420 HydrophobicContact CB-CE1 4.47Å; F285-F420 HydrophobicContact CB-CZ 3.92Å; F285-F420 HydrophobicContact CD2-CZ 4.24Å; F285-L428 HydrophobicContact CD2-CD2 4.31Å; F285-L428 HydrophobicContact CE2-CD2 4.25Å; F285-L431 HydrophobicContact CE1-CD2 4.32Å; F285-L431 HydrophobicContact CE2-CD2 4.42Å; F285-L431 HydrophobicContact CZ-CB 4.31Å; F285-L431 HydrophobicContact CZ-CD2 3.76Å; F285-L431 HydrophobicContact CZ-CG 3.9Å; F285-V432 HydrophobicContact CE2-CB 3.87Å; F285-V432 HydrophobicContact CE2-CG2 4.38Å; F285-V432 HydrophobicContact CZ-CB 4.06Å; F285-V432 HydrophobicContact CZ-CG2 4.46Å; F285-L435 HydrophobicContact CE1-CD1 4.12Å; F285-L435 HydrophobicContact CZ-CD1 4.31Å |
| 286 | L | 94.8 | Very high | 93.3 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 37% | 0.372 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.9 | -43.3 | -176.9 | -71.8 | 170.8 | 0 | 0 | 0 | 113.3 | S282 W283 L289 L290 | S282-L286 PolarHBondContact O-N 3.35Å; S282-L286 VanDerWaalsContact O-N 3.17Å; W283-L286 HydrophobicContact CE3-CB 4.3Å; W283-L286 HydrophobicContact CE3-CD1 3.48Å; W283-L286 VanDerWaalsContact CE3-CD1 3.48Å; W283-L286 HydrophobicContact CE3-CG 4.46Å; W283-L286 HydrophobicContact CH2-CD1 4.29Å; W283-L286 HydrophobicContact CZ3-CB 4.46Å; W283-L286 HydrophobicContact CZ3-CD1 3.2Å; W283-L286 HydrophobicContact CZ3-CG 4.43Å; W283-L286 PolarHBondContact O-N 3Å; L286-L289 PolarHBondContact O-N 3.49Å; L286-L290 PolarHBondContact O-N 3.37Å |
| 287 | W | 95.5 | Very high | 93.5 | Very high | 61 Ų | 61 | 41 Ų | 41 | 23% | 0.231 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.4 | -37.4 | 175 | -71.1 | 121.2 | 0 | 0 | 0 | 112.2 | W283 L290 W291 I474 H475 Y478 | W283-W287 AromaticContact CD1-CD1 3.93Å; W283-W287 AromaticContact CD1-NE1 3.29Å; W283-W287 VanDerWaalsContact CD1-NE1 3.29Å; W283-W287 AromaticContact CE2-NE1 3.87Å; W283-W287 AromaticContact CG-CD1 4Å; W283-W287 AromaticContact CG-NE1 3.7Å; W283-W287 AromaticContact NE1-NE1 3.39Å; W283-W287 WeakPolarHBondContact O-CB 3.36Å; W283-W287 PolarHBondContact O-N 3.4Å; W287-L290 HydrophobicContact CE3-CD2 3.97Å; W287-L290 HydrophobicContact CZ3-CD2 3.79Å; W287-L290 PolarHBondContact O-N 3.49Å; W287-W291 VanDerWaalsContact O-CB 3.28Å; W287-W291 WeakPolarHBondContact O-CB 3.48Å; W287-W291 PolarHBondContact O-N 2.92Å; W287-I474 HydrophobicContact CD2-CG2 3.84Å; W287-I474 HydrophobicContact CE3-CB 4.17Å; W287-I474 HydrophobicContact CE3-CG2 3.48Å; W287-I474 VanDerWaalsContact CE3-CG2 3.48Å; W287-I474 HydrophobicContact CH2-CD1 4.47Å; W287-I474 HydrophobicContact CH2-CG2 3.73Å; W287-I474 HydrophobicContact CZ2-CG2 4.05Å; W287-I474 HydrophobicContact CZ3-CB 4.14Å; W287-I474 HydrophobicContact CZ3-CD1 3.99Å; W287-I474 HydrophobicContact CZ3-CG2 3.43Å; W287-I474 VanDerWaalsContact CZ3-CG2 3.43Å; W287-H475 HydrophobicContact CB-CB 4.22Å; W287-Y478 AromaticContact CD1-CD1 3.91Å; W287-Y478 AromaticContact CD1-CD2 3.99Å; W287-Y478 AromaticContact CD1-CG 3.79Å; W287-Y478 AromaticContact NE1-CD2 3.99Å |
| 288 | H | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.5 | -37.6 | 175.2 | -170.4 | 62 | 0 | 0 | 0 | 112.2 | F284 F285 W291 L292 N412 F415 H475 | F284-H288 WeakPolarHBondContact O-CB 3.45Å; F284-H288 PolarHBondContact O-N 3Å; F285-H288 PolarHBondContact O-N 3.41Å; H288-W291 AromaticContact CE1-CE3 3.71Å; H288-W291 AromaticContact CE1-CZ3 3.8Å; H288-W291 AromaticContact ND1-CE3 3.84Å; H288-W291 WeakPolarHBondContact O-CB 3.42Å; H288-W291 PolarHBondContact O-N 3.46Å; H288-L292 WeakPolarHBondContact O-CB 3.47Å; H288-L292 PolarHBondContact O-N 2.68Å; H288-N412 PolarHBondContact NE2-OD1 3.04Å; H288-F415 HydrophobicContact CB-CD1 4.43Å; H288-F415 HydrophobicContact CB-CE1 3.89Å; H288-F415 AromaticContact CD2-CD1 3.8Å; H288-F415 AromaticContact CE1-CD1 3.5Å; H288-F415 VanDerWaalsContact CE1-CD1 3.5Å; H288-F415 WeakPolarHBondContact CE1-CD1 3.49Å; H288-F415 AromaticContact CG-CD1 3.64Å; H288-F415 AromaticContact CG-CE1 3.59Å; H288-F415 AromaticContact ND1-CD1 3.45Å; H288-F415 WeakPolarHBondContact ND1-CD1 3.47Å; H288-F415 AromaticContact ND1-CE1 3.66Å; H288-F415 AromaticContact NE2-CD1 3.7Å; H288-H475 AromaticContact CG-CE1 3.76Å; H288-H475 AromaticContact ND1-CE1 3.13Å; H288-H475 PolarHBondContact ND1-CE1 3.33Å; H288-H475 AromaticContact ND1-ND1 3.66Å; H288-H475 AromaticContact ND1-NE2 3.97Å |
| 289 | L | 96 | Very high | 93.8 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 173.3 | 173.6 | 60.9 | 0 | 0 | 0 | 111.1 | F285 L286 W291 L292 S293 V432 L435 | F285-L289 HydrophobicContact CE1-CD2 4.31Å; F285-L289 VanDerWaalsContact O-CB 3.24Å; F285-L289 WeakPolarHBondContact O-CB 3.33Å; F285-L289 PolarHBondContact O-N 3.29Å; L286-L289 PolarHBondContact O-N 3.49Å; L289-W291 VanDerWaalsContact C-N 3.33Å; L289-W291 PolarHBondContact O-N 3.26Å; L289-L292 PolarHBondContact O-N 3.19Å; L289-S293 VanDerWaalsContact O-CB 3.28Å; L289-S293 WeakPolarHBondContact O-CB 3.28Å; L289-S293 PolarHBondContact O-N 3.09Å; L289-S293 PolarHBondContact O-OG 2.92Å; L289-V432 HydrophobicContact CB-CG2 4.12Å; L289-V432 HydrophobicContact CD1-CG2 3.98Å; L289-V432 WeakPolarHBondContact CD1-O 3.39Å; L289-L435 HydrophobicContact CD1-CB 3.52Å; L289-L435 HydrophobicContact CD2-CB 4Å; L289-L435 HydrophobicContact CD2-CD1 3.76Å; L289-L435 HydrophobicContact CG-CB 4.42Å |
| 290 | L | 95.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 28.6 Ų | 28.6 | 33% | 0.325 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 177.1 | -176.4 | 66.4 | 0 | 0 | 0 | 111.2 | L286 W287 S293 I294 | L286-L290 PolarHBondContact O-N 3.37Å; W287-L290 HydrophobicContact CE3-CD2 3.97Å; W287-L290 HydrophobicContact CZ3-CD2 3.79Å; W287-L290 PolarHBondContact O-N 3.49Å; L290-S293 PolarHBondContact O-N 2.77Å; L290-I294 HydrophobicContact CD1-CD1 3.91Å; L290-I294 HydrophobicContact CD1-CG1 4.33Å; L290-I294 HydrophobicContact CG-CD1 3.95Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 3.38Å; L290-I294 VanDerWaalsContact O-N 3.12Å |
| 291 | W | 96.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.1 | -51.6 | 176.4 | 176.6 | 95.2 | 0 | 0 | 0 | 112 | W287 H288 L289 S293 L295 L372 T375 S376 L408 V472 H475 | W287-W291 VanDerWaalsContact O-CB 3.28Å; W287-W291 WeakPolarHBondContact O-CB 3.48Å; W287-W291 PolarHBondContact O-N 2.92Å; H288-W291 AromaticContact CE1-CE3 3.71Å; H288-W291 AromaticContact CE1-CZ3 3.8Å; H288-W291 AromaticContact ND1-CE3 3.84Å; H288-W291 WeakPolarHBondContact O-CB 3.42Å; H288-W291 PolarHBondContact O-N 3.46Å; L289-W291 VanDerWaalsContact C-N 3.33Å; L289-W291 PolarHBondContact O-N 3.26Å; W291-S293 PolarHBondContact O-N 3.48Å; W291-L295 HydrophobicContact CD2-CD2 4.48Å; W291-L295 HydrophobicContact CH2-CD2 4.24Å; W291-L295 HydrophobicContact CZ2-CD2 3.72Å; W291-L295 PolarHBondContact O-N 2.92Å; W291-L372 HydrophobicContact CD2-CD2 4.21Å; W291-L372 HydrophobicContact CE3-CD2 4.42Å; W291-L372 HydrophobicContact CH2-CD2 4.04Å; W291-L372 HydrophobicContact CZ2-CD2 3.79Å; W291-L372 HydrophobicContact CZ3-CD2 4.35Å; W291-T375 HydrophobicContact CH2-CG2 4Å; W291-T375 HydrophobicContact CZ2-CG2 3.55Å; W291-S376 PolarHBondContact NE1-OG 2.95Å; W291-S376 VanDerWaalsContact NE1-OG 3.13Å; W291-L408 HydrophobicContact CE3-CD1 4.23Å; W291-L408 HydrophobicContact CH2-CD1 3.37Å; W291-L408 HydrophobicContact CZ2-CD1 4.16Å; W291-L408 HydrophobicContact CZ3-CD1 3.41Å; W291-L408 VanDerWaalsContact CZ3-CD1 3.41Å; W291-V472 HydrophobicContact CG-CG1 3.91Å; W291-V472 VanDerWaalsContact NE1-CG1 3.3Å; W291-H475 HydrophobicContact CB-CB 3.84Å; W291-H475 HydrophobicContact CG-CB 4.11Å; W291-H475 AromaticContact CG-ND1 3.86Å |
| 292 | L | 96.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 179.6 | -179.7 | 62.6 | 0 | 0 | 0 | 111.2 | H288 L289 L295 Q296 L408 N412 V432 | H288-L292 WeakPolarHBondContact O-CB 3.47Å; H288-L292 PolarHBondContact O-N 2.68Å; L289-L292 PolarHBondContact O-N 3.19Å; L292-L295 PolarHBondContact O-N 2.96Å; L292-Q296 WeakPolarHBondContact O-CB 3.49Å; L292-Q296 PolarHBondContact O-N 2.88Å; L292-L408 HydrophobicContact CD1-CD1 3.68Å; L292-L408 HydrophobicContact CD1-CG 4.28Å; L292-N412 HydrophobicContact CD1-CB 4.27Å; L292-V432 HydrophobicContact CD2-CG1 4.17Å; L292-V432 HydrophobicContact CD2-CG2 3.96Å |
| 293 | S | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | -174.6 | -57.1 | 0 | 0 | 0 | 0 | 113 | L289 L290 W291 L297 S436 | L289-S293 VanDerWaalsContact O-CB 3.28Å; L289-S293 WeakPolarHBondContact O-CB 3.28Å; L289-S293 PolarHBondContact O-N 3.09Å; L289-S293 PolarHBondContact O-OG 2.92Å; L290-S293 PolarHBondContact O-N 2.77Å; W291-S293 PolarHBondContact O-N 3.48Å; S293-L297 VanDerWaalsContact O-CB 3.29Å; S293-L297 WeakPolarHBondContact O-CB 3.25Å; S293-L297 PolarHBondContact O-N 3.11Å; S293-S436 WeakPolarHBondContact OG-CA 3.46Å; S293-S436 WeakPolarHBondContact OG-CB 3.43Å |
| 294 | I | 94.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 15 Ų | 15 | 5% | 0.051 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.5 | -45.6 | 178.9 | -65.4 | 169.5 | 0 | 0 | 0 | 110.4 | L290 R298 L468 L471 V472 | L290-I294 HydrophobicContact CD1-CD1 3.91Å; L290-I294 HydrophobicContact CD1-CG1 4.33Å; L290-I294 HydrophobicContact CG-CD1 3.95Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 3.38Å; L290-I294 VanDerWaalsContact O-N 3.12Å; I294-R298 WeakPolarHBondContact O-CB 3.32Å; I294-R298 PolarHBondContact O-N 2.93Å; I294-R298 VanDerWaalsContact O-N 3.13Å; I294-L468 HydrophobicContact CD1-CD1 4.3Å; I294-L468 HydrophobicContact CD1-CG 4.13Å; I294-L468 HydrophobicContact CG1-CD2 4.18Å; I294-L468 HydrophobicContact CG1-CG 4.11Å; I294-L468 HydrophobicContact CG2-CD2 4.06Å; I294-L468 HydrophobicContact CG2-CG 3.86Å; I294-L471 HydrophobicContact CD1-CB 4.11Å; I294-V472 HydrophobicContact CB-CG2 3.85Å; I294-V472 HydrophobicContact CD1-CG2 4.2Å; I294-V472 HydrophobicContact CG2-CG2 3.53Å |
| 295 | L | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.8 | -47.4 | 179.7 | -97.6 | 59.5 | 0 | 0 | 0 | 111.1 | W291 L292 R298 H299 T375 C379 L408 V472 | W291-L295 HydrophobicContact CD2-CD2 4.48Å; W291-L295 HydrophobicContact CH2-CD2 4.24Å; W291-L295 HydrophobicContact CZ2-CD2 3.72Å; W291-L295 PolarHBondContact O-N 2.92Å; L292-L295 PolarHBondContact O-N 2.96Å; L295-R298 PolarHBondContact O-N 3.42Å; L295-H299 PolarHBondContact O-N 3.15Å; L295-H299 VanDerWaalsContact O-N 3.1Å; L295-H299 PolarHBondContact O-ND1 2.92Å; L295-T375 HydrophobicContact CD2-CG2 3.88Å; L295-C379 HydrophobicContact CD1-CB 4.21Å; L295-C379 HydrophobicContact CD2-CB 4.34Å; L295-C379 HydrophobicContact CG-CB 4.06Å; L295-L408 HydrophobicContact CB-CD1 3.75Å; L295-L408 HydrophobicContact CB-CD2 3.82Å; L295-L408 HydrophobicContact CB-CG 4.4Å; L295-L408 HydrophobicContact CD2-CD1 3.67Å; L295-L408 HydrophobicContact CG-CD1 4.31Å; L295-V472 HydrophobicContact CD1-CB 3.86Å; L295-V472 HydrophobicContact CD1-CG1 3.28Å; L295-V472 HydrophobicContact CD1-CG2 3.27Å; L295-V472 HydrophobicContact CD2-CG1 4.39Å; L295-V472 HydrophobicContact CG-CG1 4.48Å |
| 296 | Q | 93.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | -178.9 | -174.5 | 167.1 | -1.5 | 0 | 0 | 111.9 | N84 L292 R298 H299 Y300 S436 | N84-Q296 PolarHBondContact ND2-NE2 3.36Å; N84-Q296 PolarHBondContact OD1-NE2 2.71Å; L292-Q296 WeakPolarHBondContact O-CB 3.49Å; L292-Q296 PolarHBondContact O-N 2.88Å; Q296-R298 VanDerWaalsContact C-N 3.32Å; Q296-R298 PolarHBondContact O-N 3.24Å; Q296-H299 PolarHBondContact O-N 2.96Å; Q296-Y300 HydrophobicContact CG-CD2 3.94Å; Q296-Y300 HydrophobicContact CG-CE1 4.36Å; Q296-Y300 HydrophobicContact CG-CE2 3.42Å; Q296-Y300 VanDerWaalsContact CG-CE2 3.42Å; Q296-Y300 VanDerWaalsContact NE2-CE2 3.32Å; Q296-Y300 PolarHBondContact NE2-OH 3.26Å; Q296-Y300 PolarHBondContact O-N 2.85Å; Q296-S436 PolarHBondContact OE1-OG 2.96Å |
| 297 | L | 91.6 | Very high | 90.9 | Very high | 9 Ų | 9 | 12 Ų | 12 | 5% | 0.047 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -56.3 | -45.6 | 175.2 | 176.6 | 63.6 | 0 | 0 | 0 | 111.5 | S293 H299 Y300 L301 L442 Q443 L465 | S293-L297 VanDerWaalsContact O-CB 3.29Å; S293-L297 WeakPolarHBondContact O-CB 3.25Å; S293-L297 PolarHBondContact O-N 3.11Å; L297-H299 VanDerWaalsContact C-N 3.33Å; L297-H299 PolarHBondContact O-N 3.12Å; L297-Y300 PolarHBondContact O-N 3.35Å; L297-L301 HydrophobicContact CD1-CD1 3.85Å; L297-L301 HydrophobicContact CD1-CG 4.16Å; L297-L301 HydrophobicContact CG-CD1 4.06Å; L297-L301 WeakPolarHBondContact O-CB 3.41Å; L297-L301 PolarHBondContact O-N 2.99Å; L297-L442 HydrophobicContact CD1-CB 4.27Å; L297-L442 HydrophobicContact CD2-CB 4.46Å; L297-Q443 HydrophobicContact CD1-CB 4.05Å; L297-L465 HydrophobicContact CD2-CD2 4.25Å; L297-L465 HydrophobicContact CG-CD2 4.46Å |
| 298 | R | 93.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 1% | 0.011 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 178.8 | 177.7 | 65.6 | -173.2 | 84.8 | -2.3 | 112.8 | I294 L295 Q296 F302 F382 S383 | I294-R298 WeakPolarHBondContact O-CB 3.32Å; I294-R298 PolarHBondContact O-N 2.93Å; I294-R298 VanDerWaalsContact O-N 3.13Å; L295-R298 PolarHBondContact O-N 3.42Å; Q296-R298 VanDerWaalsContact C-N 3.32Å; Q296-R298 PolarHBondContact O-N 3.24Å; R298-F302 PolarHBondContact O-N 3.49Å; R298-F382 HydrophobicContact CG-CD1 4.31Å; R298-F382 HydrophobicContact CG-CE1 3.75Å; R298-S383 PolarHBondContact NE-OG 3.47Å; R298-S383 VanDerWaalsContact NE-OG 3.11Å |
| 299 | H | 91.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -70.9 | -44.5 | 178.2 | -73.8 | 77.6 | 0 | 0 | 0 | 111.9 | L295 Q296 L297 F302 I303 N404 R405 | L295-H299 PolarHBondContact O-N 3.15Å; L295-H299 VanDerWaalsContact O-N 3.1Å; L295-H299 PolarHBondContact O-ND1 2.92Å; Q296-H299 PolarHBondContact O-N 2.96Å; L297-H299 VanDerWaalsContact C-N 3.33Å; L297-H299 PolarHBondContact O-N 3.12Å; H299-F302 WeakPolarHBondContact O-CB 3.22Å; H299-F302 PolarHBondContact O-N 2.98Å; H299-I303 WeakPolarHBondContact O-CG1 3.41Å; H299-I303 PolarHBondContact O-N 2.75Å; H299-N404 PolarHBondContact CE1-OD1 3.39Å; H299-N404 PolarHBondContact NE2-OD1 2.77Å; H299-R405 PolarHBondContact NE2-N 2.74Å |
| 300 | Y | 88.6 | Confident | 89.1 | Confident | 4 Ų | 4 | 10.1 Ų | 10.1 | 2% | 0.016 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -69.2 | -38.8 | -178.2 | -63 | -23.3 | 0 | 0 | 0 | 112.5 | F31 N84 Q296 L297 F302 I303 G304 Y409 | F31-Y300 HydrophobicContact CD1-CE1 4.45Å; F31-Y300 HydrophobicContact CE1-CD1 4.47Å; F31-Y300 AromaticContact CE1-CE1 3.63Å; F31-Y300 HydrophobicContact CE1-CE1 3.63Å; F31-Y300 HydrophobicContact CZ-CE1 4.4Å; N84-Y300 PolarHBondContact ND2-OH 2.85Å; Q296-Y300 HydrophobicContact CG-CD2 3.94Å; Q296-Y300 HydrophobicContact CG-CE1 4.36Å; Q296-Y300 HydrophobicContact CG-CE2 3.42Å; Q296-Y300 VanDerWaalsContact CG-CE2 3.42Å; Q296-Y300 VanDerWaalsContact NE2-CE2 3.32Å; Q296-Y300 PolarHBondContact NE2-OH 3.26Å; Q296-Y300 PolarHBondContact O-N 2.85Å; L297-Y300 PolarHBondContact O-N 3.35Å; Y300-F302 VanDerWaalsContact C-N 3.3Å; Y300-F302 PolarHBondContact O-N 2.85Å; Y300-I303 PolarHBondContact O-N 3.39Å; Y300-G304 PolarHBondContact O-N 3.29Å; Y300-Y409 VanDerWaalsContact CE1-OH 3.29Å; Y300-Y409 WeakPolarHBondContact CE1-OH 3.2Å; Y300-Y409 PolarHBondContact OH-OH 3.35Å |
| 301 | L | 86.5 | Confident | 88.6 | Confident | 6 Ų | 6 | 8.9 Ų | 8.9 | 3% | 0.031 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 172.3 | -82.6 | 175.5 | 0 | 0 | 0 | 112.6 | L297 T305 Q443 C446 I447 L465 | L297-L301 HydrophobicContact CD1-CD1 3.85Å; L297-L301 HydrophobicContact CD1-CG 4.16Å; L297-L301 HydrophobicContact CG-CD1 4.06Å; L297-L301 WeakPolarHBondContact O-CB 3.41Å; L297-L301 PolarHBondContact O-N 2.99Å; L301-T305 WeakPolarHBondContact O-CB 3.33Å; L301-T305 WeakPolarHBondContact O-CG2 3.16Å; L301-T305 PolarHBondContact O-N 3.22Å; L301-T305 VanDerWaalsContact O-N 3.08Å; L301-T305 PolarHBondContact O-OG1 3.47Å; L301-Q443 HydrophobicContact CD2-CB 3.75Å; L301-Q443 WeakPolarHBondContact CD2-O 3.46Å; L301-Q443 HydrophobicContact CG-CB 3.93Å; L301-C446 HydrophobicContact CD1-CB 3.95Å; L301-C446 HydrophobicContact CD2-CB 3.73Å; L301-I447 HydrophobicContact CD2-CD1 4.2Å; L301-I447 HydrophobicContact CD2-CG1 3.68Å; L301-L465 HydrophobicContact CB-CD1 4.38Å; L301-L465 HydrophobicContact CD1-CD1 3.57Å; L301-L465 HydrophobicContact CD1-CD2 4.18Å; L301-L465 HydrophobicContact CD1-CG 4.44Å |
| 302 | F | 88.1 | Confident | 88 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62 | -51.4 | 175.5 | -174.2 | -107.6 | 0 | 0 | 0 | 112.2 | R298 H299 Y300 T305 L306 F328 F382 A386 T397 F398 Q401 | R298-F302 PolarHBondContact O-N 3.49Å; H299-F302 WeakPolarHBondContact O-CB 3.22Å; H299-F302 PolarHBondContact O-N 2.98Å; Y300-F302 VanDerWaalsContact C-N 3.3Å; Y300-F302 PolarHBondContact O-N 2.85Å; F302-T305 PolarHBondContact O-N 3.23Å; F302-L306 HydrophobicContact CE1-CD1 4.22Å; F302-L306 HydrophobicContact CZ-CD1 3.99Å; F302-L306 WeakPolarHBondContact O-CB 3.44Å; F302-L306 PolarHBondContact O-N 2.66Å; F302-F328 HydrophobicContact CE1-CD2 4.49Å; F302-F328 AromaticContact CE1-CE2 3.93Å; F302-F328 HydrophobicContact CE1-CE2 3.93Å; F302-F328 HydrophobicContact CE1-CZ 4.4Å; F302-F382 HydrophobicContact CB-CE2 4.5Å; F302-F382 HydrophobicContact CB-CZ 3.81Å; F302-F382 HydrophobicContact CD1-CE2 4.05Å; F302-F382 HydrophobicContact CD1-CZ 4.02Å; F302-F382 AromaticContact CD2-CE2 3.93Å; F302-F382 HydrophobicContact CD2-CE2 3.93Å; F302-F382 HydrophobicContact CD2-CZ 4.05Å; F302-F382 HydrophobicContact CE1-CE2 4.22Å; F302-F382 HydrophobicContact CE2-CE2 4.11Å; F302-F382 AromaticContact CG-CE2 3.89Å; F302-F382 HydrophobicContact CG-CE2 3.89Å; F302-F382 AromaticContact CG-CZ 3.68Å; F302-F382 HydrophobicContact CG-CZ 3.68Å; F302-F382 HydrophobicContact CZ-CE2 4.24Å; F302-A386 HydrophobicContact CD2-CB 4.15Å; F302-A386 HydrophobicContact CE2-CB 3.94Å; F302-T397 HydrophobicContact CE2-CG2 3.79Å; F302-T397 HydrophobicContact CZ-CG2 3.73Å; F302-F398 HydrophobicContact CE1-CD1 4.16Å; F302-F398 HydrophobicContact CE1-CE1 4.41Å; F302-F398 AromaticContact CZ-CD1 3.89Å; F302-F398 HydrophobicContact CZ-CD1 3.89Å; F302-F398 AromaticContact CZ-CE1 3.91Å; F302-F398 HydrophobicContact CZ-CE1 3.91Å; F302-Q401 HydrophobicContact CD1-CG 3.87Å; F302-Q401 HydrophobicContact CE1-CB 4.4Å; F302-Q401 HydrophobicContact CE1-CG 4.08Å |
| 303 | I | 85.8 | Confident | 87.5 | Confident | 5 Ų | 5 | 14.5 Ų | 14.5 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | -179.1 | -64.8 | 169.3 | 0 | 0 | 0 | 110.4 | T34 F76 H299 Y300 T305 L306 F328 | T34-I303 HydrophobicContact CG2-CG2 4.39Å; F76-I303 HydrophobicContact CE1-CG2 4.11Å; F76-I303 HydrophobicContact CE2-CG2 4.46Å; F76-I303 HydrophobicContact CZ-CB 4.48Å; F76-I303 HydrophobicContact CZ-CG2 3.79Å; H299-I303 WeakPolarHBondContact O-CG1 3.41Å; H299-I303 PolarHBondContact O-N 2.75Å; Y300-I303 PolarHBondContact O-N 3.39Å; I303-T305 VanDerWaalsContact C-N 3.31Å; I303-T305 PolarHBondContact O-N 2.89Å; I303-L306 PolarHBondContact O-N 3.18Å; I303-F328 HydrophobicContact CG1-CZ 4.12Å |
| 304 | G | 79.8 | Confident | 87.2 | Confident | 19 Ų | 19 | 14.9 Ų | 14.9 | 20% | 0.196 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.9 | -29.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y300 | Y300-G304 PolarHBondContact O-N 3.29Å |
| 305 | T | 81.3 | Confident | 86.7 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -99.3 | -6.6 | 179.3 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | L301 F302 I303 N307 S308 R309 I447 | L301-T305 WeakPolarHBondContact O-CB 3.33Å; L301-T305 WeakPolarHBondContact O-CG2 3.16Å; L301-T305 PolarHBondContact O-N 3.22Å; L301-T305 VanDerWaalsContact O-N 3.08Å; L301-T305 PolarHBondContact O-OG1 3.47Å; F302-T305 PolarHBondContact O-N 3.23Å; I303-T305 VanDerWaalsContact C-N 3.31Å; I303-T305 PolarHBondContact O-N 2.89Å; T305-N307 PolarHBondContact O-N 2.9Å; T305-S308 PolarHBondContact O-N 3.2Å; T305-S308 PolarHBondContact O-OG 2.76Å; T305-R309 WeakPolarHBondContact O-CB 3.35Å; T305-R309 PolarHBondContact O-N 2.86Å; T305-I447 HydrophobicContact CG2-CG1 3.88Å |
| 306 | L | 85.1 | Confident | 86 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.2 | -50.2 | -170.2 | -178.8 | 66 | 0 | 0 | 0 | 112.9 | T34 F302 I303 S308 R309 L310 F328 F398 | T34-L306 HydrophobicContact CG2-CD2 4.32Å; F302-L306 HydrophobicContact CE1-CD1 4.22Å; F302-L306 HydrophobicContact CZ-CD1 3.99Å; F302-L306 WeakPolarHBondContact O-CB 3.44Å; F302-L306 PolarHBondContact O-N 2.66Å; I303-L306 PolarHBondContact O-N 3.18Å; L306-S308 PolarHBondContact O-N 3.02Å; L306-R309 WeakPolarHBondContact O-CB 3.43Å; L306-R309 PolarHBondContact O-N 3.34Å; L306-L310 HydrophobicContact CD1-CD1 4Å; L306-L310 HydrophobicContact CD1-CG 4.06Å; L306-L310 HydrophobicContact CG-CD1 3.94Å; L306-L310 HydrophobicContact CG-CG 4.33Å; L306-L310 WeakPolarHBondContact O-CB 3.44Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.37Å; L306-F328 HydrophobicContact CD2-CB 4.06Å; L306-F328 HydrophobicContact CD2-CD1 3.2Å; L306-F328 HydrophobicContact CD2-CD2 4.23Å; L306-F328 HydrophobicContact CD2-CE1 3.56Å; L306-F328 HydrophobicContact CD2-CG 3.56Å; L306-F328 HydrophobicContact CD2-CZ 4.22Å; L306-F398 HydrophobicContact CD1-CE1 3.7Å; L306-F398 HydrophobicContact CD1-CZ 4.18Å |
| 307 | N | 83.2 | Confident | 85.7 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 23% | 0.225 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | -177.8 | -74.8 | -10.8 | 0 | 0 | 0 | 111.9 | T305 R309 L310 S311 | T305-N307 PolarHBondContact O-N 2.9Å; N307-R309 VanDerWaalsContact C-N 3.34Å; N307-R309 PolarHBondContact O-N 3.16Å; N307-L310 PolarHBondContact O-N 3.47Å; N307-S311 WeakPolarHBondContact O-CB 3.3Å; N307-S311 PolarHBondContact O-N 2.94Å; N307-S311 PolarHBondContact O-OG 3.38Å |
| 308 | S | 78.6 | Confident | 85.2 | Confident | 36 Ų | 36 | 37.6 Ų | 37.6 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 176.6 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | T305 L306 S311 R312 | T305-S308 PolarHBondContact O-N 3.2Å; T305-S308 PolarHBondContact O-OG 2.76Å; L306-S308 PolarHBondContact O-N 3.02Å; S308-S311 PolarHBondContact O-N 2.95Å; S308-R312 PolarHBondContact O-N 3.1Å; S308-R312 VanDerWaalsContact O-N 3.09Å |
| 309 | R | 83.2 | Confident | 84.9 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -50.1 | 177 | 175.9 | -172.4 | -58.8 | -137.7 | -5.7 | 110.7 | T305 L306 N307 S311 R312 L313 A386 D462 | T305-R309 WeakPolarHBondContact O-CB 3.35Å; T305-R309 PolarHBondContact O-N 2.86Å; L306-R309 WeakPolarHBondContact O-CB 3.43Å; L306-R309 PolarHBondContact O-N 3.34Å; N307-R309 VanDerWaalsContact C-N 3.34Å; N307-R309 PolarHBondContact O-N 3.16Å; R309-S311 VanDerWaalsContact C-N 3.34Å; R309-S311 PolarHBondContact O-N 3.33Å; R309-R312 PolarHBondContact O-N 3.43Å; R309-L313 HydrophobicContact CG-CD1 3.71Å; R309-L313 WeakPolarHBondContact O-CD1 3.23Å; R309-L313 PolarHBondContact O-N 3.46Å; R309-A386 PolarHBondContact NH1-O 3.07Å; R309-D462 IonicContact CZ-OD2 3.59Å; R309-D462 IonicContact NH1-OD2 3.89Å; R309-D462 PolarHBondContact NH1-OD2 3.23Å; R309-D462 IonicContact NH2-OD1 3.24Å; R309-D462 PolarHBondContact NH2-OD1 3.31Å; R309-D462 IonicContact NH2-OD2 3.77Å; R309-D462 PolarHBondContact NH2-OD2 3.31Å |
| 310 | L | 87.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 179.3 | -72 | 178.2 | 0 | 0 | 0 | 111.5 | L306 N307 R312 L313 A314 V321 Y324 L391 F398 | L306-L310 HydrophobicContact CD1-CD1 4Å; L306-L310 HydrophobicContact CD1-CG 4.06Å; L306-L310 HydrophobicContact CG-CD1 3.94Å; L306-L310 HydrophobicContact CG-CG 4.33Å; L306-L310 WeakPolarHBondContact O-CB 3.44Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.37Å; N307-L310 PolarHBondContact O-N 3.47Å; L310-R312 VanDerWaalsContact C-N 3.3Å; L310-R312 PolarHBondContact O-N 3.22Å; L310-L313 PolarHBondContact O-N 2.89Å; L310-A314 WeakPolarHBondContact O-CB 3.39Å; L310-A314 PolarHBondContact O-N 3.27Å; L310-V321 HydrophobicContact CB-CG1 4.33Å; L310-V321 HydrophobicContact CB-CG2 4.44Å; L310-Y324 HydrophobicContact CD2-CD1 4.27Å; L310-Y324 HydrophobicContact CD2-CG 4.13Å; L310-L391 HydrophobicContact CD2-CD1 4.16Å; L310-F398 HydrophobicContact CD2-CZ 4.31Å |
| 311 | S | 84.6 | Confident | 84.8 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.9 | -46.4 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | N307 S308 R309 A314 R315 N316 | N307-S311 WeakPolarHBondContact O-CB 3.3Å; N307-S311 PolarHBondContact O-N 2.94Å; N307-S311 PolarHBondContact O-OG 3.38Å; S308-S311 PolarHBondContact O-N 2.95Å; R309-S311 VanDerWaalsContact C-N 3.34Å; R309-S311 PolarHBondContact O-N 3.33Å; S311-A314 CarbonylContact O-C 3.51Å; S311-A314 PolarHBondContact O-N 2.92Å; S311-R315 PolarHBondContact O-N 3.42Å; S311-R315 VanDerWaalsContact O-N 3.17Å; S311-N316 PolarHBondContact O-N 3.33Å; S311-N316 PolarHBondContact O-OD1 3.09Å |
| 312 | R | 83.6 | Confident | 84.8 | Confident | 87 Ų | 87 | 46.1 Ų | 46.1 | 33% | 0.328 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.7 | -48.5 | 177.6 | -168.7 | 178.9 | 67.1 | 138.6 | 1.2 | 113.4 | S308 R309 L310 A314 R315 G456 D457 | S308-R312 PolarHBondContact O-N 3.1Å; S308-R312 VanDerWaalsContact O-N 3.09Å; R309-R312 PolarHBondContact O-N 3.43Å; L310-R312 VanDerWaalsContact C-N 3.3Å; L310-R312 PolarHBondContact O-N 3.22Å; R312-A314 VanDerWaalsContact C-N 3.25Å; R312-A314 PolarHBondContact O-N 3.08Å; R312-R315 PolarHBondContact O-N 3.43Å; R312-R315 VanDerWaalsContact O-N 3.13Å; R312-G456 PolarHBondContact NE-O 3.33Å; R312-D457 IonicContact CZ-OD1 2.83Å; R312-D457 VanDerWaalsContact CZ-OD1 3.24Å; R312-D457 IonicContact NH1-OD1 3.52Å; R312-D457 PolarHBondContact NH1-OD1 3.16Å; R312-D457 IonicContact NH1-OD2 2.92Å; R312-D457 IonicContact NH2-OD1 2.79Å; R312-D457 PolarHBondContact NH2-OD1 3.31Å |
| 313 | L | 87.3 | Confident | 85 | Confident | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -30.3 | 179.8 | -86.7 | 81.1 | 0 | 0 | 0 | 112.3 | R309 L310 R315 L391 Q394 | R309-L313 HydrophobicContact CG-CD1 3.71Å; R309-L313 WeakPolarHBondContact O-CD1 3.23Å; R309-L313 PolarHBondContact O-N 3.46Å; L310-L313 PolarHBondContact O-N 2.89Å; L313-R315 VanDerWaalsContact C-N 3.31Å; L313-L391 HydrophobicContact CB-CB 4.35Å; L313-L391 HydrophobicContact CB-CD1 3.7Å; L313-L391 HydrophobicContact CD2-CB 4.22Å; L313-L391 HydrophobicContact CD2-CD1 4.31Å; L313-Q394 HydrophobicContact CD2-CG 4.31Å |
| 314 | A | 87.4 | Confident | 85.2 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 6.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L310 S311 R312 N316 D317 L320 V321 | L310-A314 WeakPolarHBondContact O-CB 3.39Å; L310-A314 PolarHBondContact O-N 3.27Å; S311-A314 CarbonylContact O-C 3.51Å; S311-A314 PolarHBondContact O-N 2.92Å; R312-A314 VanDerWaalsContact C-N 3.25Å; R312-A314 PolarHBondContact O-N 3.08Å; A314-N316 PolarHBondContact O-N 2.91Å; A314-D317 WeakPolarHBondContact O-CB 3.37Å; A314-D317 PolarHBondContact O-N 3.35Å; A314-D317 VanDerWaalsContact O-N 3.09Å; A314-L320 HydrophobicContact CB-CB 3.86Å; A314-L320 HydrophobicContact CB-CD1 4.38Å; A314-V321 HydrophobicContact CB-CG2 3.93Å |
| 315 | R | 84.6 | Confident | 85.7 | Confident | 230 Ų | 230 | 50.9 Ų | 50.9 | 87% | 0.868 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 42.8 | -176.8 | -53.7 | -177.3 | -170.9 | -170.1 | 1.9 | 112.8 | S311 R312 L313 D317 | S311-R315 PolarHBondContact O-N 3.42Å; S311-R315 VanDerWaalsContact O-N 3.17Å; R312-R315 PolarHBondContact O-N 3.43Å; R312-R315 VanDerWaalsContact O-N 3.13Å; L313-R315 VanDerWaalsContact C-N 3.31Å; R315-D317 PolarHBondContact O-N 3.15Å |
| 316 | N | 80.6 | Confident | 86.1 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 22.4 | -178.5 | -59.1 | -33 | 0 | 0 | 0 | 115 | S311 A314 P318 | S311-N316 PolarHBondContact O-N 3.33Å; S311-N316 PolarHBondContact O-OD1 3.09Å; A314-N316 PolarHBondContact O-N 2.91Å; N316-P318 VanDerWaalsContact O-CD 3.26Å; N316-P318 WeakPolarHBondContact O-CD 3.34Å |
| 317 | D | 86.4 | Confident | 86.5 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | trans | -73.3 | 111.3 | 170.1 | -177.7 | -14 | 0 | 0 | 0 | 110.9 | A314 R315 T319 L320 V321 | A314-D317 WeakPolarHBondContact O-CB 3.37Å; A314-D317 PolarHBondContact O-N 3.35Å; A314-D317 VanDerWaalsContact O-N 3.09Å; R315-D317 PolarHBondContact O-N 3.15Å; D317-T319 PolarHBondContact O-N 3.29Å; D317-T319 WeakPolarHBondContact OD1-CB 3.38Å; D317-T319 PolarHBondContact OD1-N 3.48Å; D317-T319 PolarHBondContact OD1-OG1 3.12Å; D317-T319 PolarHBondContact OD2-OG1 2.68Å; D317-L320 HydrophobicContact CB-CB 4.21Å; D317-L320 HydrophobicContact CB-CD1 4.04Å; D317-L320 HydrophobicContact CB-CG 4.4Å; D317-L320 PolarHBondContact O-N 2.87Å; D317-L320 WeakPolarHBondContact OD2-CD1 3.42Å; D317-V321 VanDerWaalsContact O-CG2 3.29Å; D317-V321 WeakPolarHBondContact O-CG2 3.46Å; D317-V321 PolarHBondContact O-N 3.38Å; D317-V321 VanDerWaalsContact O-N 3.11Å | ||
| 318 | P | 82 | Confident | 86.8 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.1 | -27.5 | -176.1 | 28.5 | -35.2 | 0 | 0 | 0 | 112.8 | N316 S322 | N316-P318 VanDerWaalsContact O-CD 3.26Å; N316-P318 WeakPolarHBondContact O-CD 3.34Å; P318-S322 WeakPolarHBondContact O-CB 3.36Å; P318-S322 PolarHBondContact O-N 3.42Å |
| 319 | T | 87.9 | Confident | 87.3 | Confident | 97 Ų | 97 | 49.7 Ų | 49.7 | 60% | 0.595 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71.3 | -46.1 | -178.2 | 67.9 | 0 | 0 | 0 | 0 | 110.8 | D317 S322 Q323 | D317-T319 PolarHBondContact O-N 3.29Å; D317-T319 WeakPolarHBondContact OD1-CB 3.38Å; D317-T319 PolarHBondContact OD1-N 3.48Å; D317-T319 PolarHBondContact OD1-OG1 3.12Å; D317-T319 PolarHBondContact OD2-OG1 2.68Å; T319-S322 PolarHBondContact O-N 3.4Å; T319-Q323 WeakPolarHBondContact O-CB 3.46Å; T319-Q323 PolarHBondContact O-N 2.84Å |
| 320 | L | 89.8 | Confident | 87.7 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.6 | -77.6 | 171 | 0 | 0 | 0 | 111.3 | A314 D317 S322 Q323 Y324 | A314-L320 HydrophobicContact CB-CB 3.86Å; A314-L320 HydrophobicContact CB-CD1 4.38Å; D317-L320 HydrophobicContact CB-CB 4.21Å; D317-L320 HydrophobicContact CB-CD1 4.04Å; D317-L320 HydrophobicContact CB-CG 4.4Å; D317-L320 PolarHBondContact O-N 2.87Å; D317-L320 WeakPolarHBondContact OD2-CD1 3.42Å; L320-S322 VanDerWaalsContact C-N 3.32Å; L320-S322 PolarHBondContact O-N 3.08Å; L320-Q323 WeakPolarHBondContact O-CB 3.38Å; L320-Q323 PolarHBondContact O-N 3.29Å; L320-Y324 HydrophobicContact CD2-CE2 4.36Å; L320-Y324 WeakPolarHBondContact O-CD2 3.26Å; L320-Y324 PolarHBondContact O-N 3.32Å |
| 321 | V | 88 | Confident | 87.9 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.127 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 177.5 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | L310 A314 D317 Y324 T325 | L310-V321 HydrophobicContact CB-CG1 4.33Å; L310-V321 HydrophobicContact CB-CG2 4.44Å; A314-V321 HydrophobicContact CB-CG2 3.93Å; D317-V321 VanDerWaalsContact O-CG2 3.29Å; D317-V321 WeakPolarHBondContact O-CG2 3.46Å; D317-V321 PolarHBondContact O-N 3.38Å; D317-V321 VanDerWaalsContact O-N 3.11Å; V321-Y324 PolarHBondContact O-N 3.39Å; V321-T325 VanDerWaalsContact O-CB 3.27Å; V321-T325 WeakPolarHBondContact O-CB 3.36Å; V321-T325 PolarHBondContact O-N 2.74Å; V321-T325 PolarHBondContact O-OG1 2.88Å |
| 322 | S | 86.5 | Confident | 88.1 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 16% | 0.161 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.8 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | K179 P318 T319 L320 T325 N326 | K179-S322 PolarHBondContact NZ-OG 2.81Å; K179-S322 VanDerWaalsContact NZ-OG 3.14Å; P318-S322 WeakPolarHBondContact O-CB 3.36Å; P318-S322 PolarHBondContact O-N 3.42Å; T319-S322 PolarHBondContact O-N 3.4Å; L320-S322 VanDerWaalsContact C-N 3.32Å; L320-S322 PolarHBondContact O-N 3.08Å; S322-T325 PolarHBondContact O-N 2.88Å; S322-N326 WeakPolarHBondContact O-CB 3.45Å; S322-N326 PolarHBondContact O-N 3.27Å; S322-N326 PolarHBondContact O-OD1 2.93Å |
| 323 | Q | 91.3 | Very high | 88.3 | Confident | 104 Ų | 104 | 54 Ų | 54 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.6 | -50.3 | 177 | -175.6 | -176.4 | 6.6 | 0 | 0 | 112.2 | T319 L320 N326 A327 | T319-Q323 WeakPolarHBondContact O-CB 3.46Å; T319-Q323 PolarHBondContact O-N 2.84Å; L320-Q323 WeakPolarHBondContact O-CB 3.38Å; L320-Q323 PolarHBondContact O-N 3.29Å; Q323-N326 PolarHBondContact O-N 3.49Å; Q323-A327 WeakPolarHBondContact O-CB 3.08Å; Q323-A327 PolarHBondContact O-N 3.38Å |
| 324 | Y | 91.6 | Very high | 88.5 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.7 | -33.5 | 179.6 | -82.9 | -96.1 | 0 | 0 | 0 | 112.3 | L310 L320 V321 A327 F328 L391 Q394 Y395 F398 | L310-Y324 HydrophobicContact CD2-CD1 4.27Å; L310-Y324 HydrophobicContact CD2-CG 4.13Å; L320-Y324 HydrophobicContact CD2-CE2 4.36Å; L320-Y324 WeakPolarHBondContact O-CD2 3.26Å; L320-Y324 PolarHBondContact O-N 3.32Å; V321-Y324 PolarHBondContact O-N 3.39Å; Y324-A327 PolarHBondContact O-N 2.88Å; Y324-F328 WeakPolarHBondContact O-CB 3.37Å; Y324-F328 PolarHBondContact O-N 3.27Å; Y324-L391 HydrophobicContact CD1-CD1 4.39Å; Y324-L391 HydrophobicContact CD2-CD1 4.26Å; Y324-L391 HydrophobicContact CD2-CG 4.43Å; Y324-L391 HydrophobicContact CE1-CD1 4.22Å; Y324-L391 HydrophobicContact CE1-CG 4.06Å; Y324-L391 VanDerWaalsContact CE1-O 3.23Å; Y324-L391 WeakPolarHBondContact CE1-O 3.46Å; Y324-L391 HydrophobicContact CE2-CD1 4.09Å; Y324-L391 HydrophobicContact CE2-CD2 3.78Å; Y324-L391 HydrophobicContact CE2-CG 3.77Å; Y324-L391 HydrophobicContact CG-CD1 4.42Å; Y324-Q394 HydrophobicContact CD1-CB 4.23Å; Y324-Q394 HydrophobicContact CE1-CB 4.27Å; Y324-Y395 HydrophobicContact CD1-CE2 4.22Å; Y324-Y395 AromaticContact CE1-CD2 3.75Å; Y324-Y395 HydrophobicContact CE1-CD2 3.75Å; Y324-Y395 HydrophobicContact CE1-CE1 4.39Å; Y324-Y395 AromaticContact CE1-CE2 3.35Å; Y324-Y395 HydrophobicContact CE1-CE2 3.35Å; Y324-Y395 HydrophobicContact CE1-CG 4.4Å; Y324-Y395 AromaticContact CE1-CZ 3.71Å; Y324-Y395 HydrophobicContact CE2-CE2 4.38Å; Y324-Y395 AromaticContact CZ-CE2 3.45Å; Y324-Y395 VanDerWaalsContact CZ-CE2 3.45Å; Y324-Y395 AromaticContact CZ-CZ 3.86Å; Y324-Y395 WeakPolarHBondContact OH-CE2 3.44Å; Y324-F398 AromaticContact CD1-CE2 3.98Å; Y324-F398 HydrophobicContact CD1-CE2 3.98Å; Y324-F398 HydrophobicContact CD1-CZ 4.25Å; Y324-F398 WeakPolarHBondContact O-CE2 3.37Å |
| 325 | T | 88.9 | Confident | 88.5 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 173.9 | -58 | 0 | 0 | 0 | 0 | 111.1 | V321 S322 F328 A329 | V321-T325 VanDerWaalsContact O-CB 3.27Å; V321-T325 WeakPolarHBondContact O-CB 3.36Å; V321-T325 PolarHBondContact O-N 2.74Å; V321-T325 PolarHBondContact O-OG1 2.88Å; S322-T325 PolarHBondContact O-N 2.88Å; T325-F328 PolarHBondContact O-N 3.47Å; T325-A329 WeakPolarHBondContact O-CB 3.47Å; T325-A329 PolarHBondContact O-N 3.27Å |
| 326 | N | 90.2 | Very high | 88.9 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 174.6 | -70.6 | -8.6 | 0 | 0 | 0 | 111 | K179 S322 Q323 A329 M330 | K179-N326 PolarHBondContact NZ-OD1 3.31Å; S322-N326 WeakPolarHBondContact O-CB 3.45Å; S322-N326 PolarHBondContact O-N 3.27Å; S322-N326 PolarHBondContact O-OD1 2.93Å; Q323-N326 PolarHBondContact O-N 3.49Å; N326-A329 PolarHBondContact O-N 2.84Å; N326-M330 WeakPolarHBondContact O-CB 3.39Å; N326-M330 WeakPolarHBondContact O-CG 3.36Å; N326-M330 PolarHBondContact O-N 3.04Å |
| 327 | A | 92.4 | Very high | 89.5 | Confident | 16 Ų | 16 | 45 Ų | 45 | 13% | 0.132 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q323 Y324 M330 T331 Y395 | Q323-A327 WeakPolarHBondContact O-CB 3.08Å; Q323-A327 PolarHBondContact O-N 3.38Å; Y324-A327 PolarHBondContact O-N 2.88Å; A327-M330 PolarHBondContact O-N 3.15Å; A327-T331 WeakPolarHBondContact O-CG2 3.36Å; A327-T331 PolarHBondContact O-N 2.71Å; A327-T331 PolarHBondContact O-OG1 3.3Å; A327-Y395 HydrophobicContact CB-CD1 3.99Å; A327-Y395 HydrophobicContact CB-CE1 3.46Å; A327-Y395 VanDerWaalsContact CB-CE1 3.46Å |
| 328 | F | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -49.8 | 174.5 | 177.5 | -115.6 | 0 | 0 | 0 | 111 | F302 I303 L306 Y324 T325 M330 T331 Q332 F398 | F302-F328 HydrophobicContact CE1-CD2 4.49Å; F302-F328 AromaticContact CE1-CE2 3.93Å; F302-F328 HydrophobicContact CE1-CE2 3.93Å; F302-F328 HydrophobicContact CE1-CZ 4.4Å; I303-F328 HydrophobicContact CG1-CZ 4.12Å; L306-F328 HydrophobicContact CD2-CB 4.06Å; L306-F328 HydrophobicContact CD2-CD1 3.2Å; L306-F328 HydrophobicContact CD2-CD2 4.23Å; L306-F328 HydrophobicContact CD2-CE1 3.56Å; L306-F328 HydrophobicContact CD2-CG 3.56Å; L306-F328 HydrophobicContact CD2-CZ 4.22Å; Y324-F328 WeakPolarHBondContact O-CB 3.37Å; Y324-F328 PolarHBondContact O-N 3.27Å; T325-F328 PolarHBondContact O-N 3.47Å; F328-M330 VanDerWaalsContact C-N 3.32Å; F328-M330 PolarHBondContact O-N 2.79Å; F328-T331 PolarHBondContact O-N 3.06Å; F328-T331 VanDerWaalsContact O-N 3.12Å; F328-T331 PolarHBondContact O-OG1 3.42Å; F328-Q332 HydrophobicContact CE1-CG 4.39Å; F328-Q332 HydrophobicContact CE2-CG 4.39Å; F328-Q332 HydrophobicContact CZ-CG 4.24Å; F328-Q332 WeakPolarHBondContact O-CG 3.47Å; F328-Q332 PolarHBondContact O-N 3.32Å; F328-F398 HydrophobicContact CB-CD1 4.3Å; F328-F398 HydrophobicContact CB-CD2 3.91Å; F328-F398 HydrophobicContact CB-CE1 4.34Å; F328-F398 HydrophobicContact CB-CE2 3.94Å; F328-F398 HydrophobicContact CB-CG 4.1Å; F328-F398 HydrophobicContact CB-CZ 4.16Å; F328-F398 HydrophobicContact CD2-CB 3.95Å; F328-F398 AromaticContact CD2-CD1 3.6Å; F328-F398 HydrophobicContact CD2-CD1 3.6Å; F328-F398 HydrophobicContact CD2-CD2 4.4Å; F328-F398 HydrophobicContact CD2-CE1 4.2Å; F328-F398 AromaticContact CD2-CG 3.73Å; F328-F398 HydrophobicContact CD2-CG 3.73Å; F328-F398 HydrophobicContact CE2-CD1 4.36Å; F328-F398 HydrophobicContact CG-CD1 4.31Å; F328-F398 HydrophobicContact CG-CG 4.4Å |
| 329 | A | 89.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L176 T325 N326 Q332 L333 | L176-A329 HydrophobicContact CB-CB 4.03Å; L176-A329 HydrophobicContact CD1-CB 3.97Å; L176-A329 HydrophobicContact CD2-CB 3.76Å; L176-A329 HydrophobicContact CG-CB 4.12Å; T325-A329 WeakPolarHBondContact O-CB 3.47Å; T325-A329 PolarHBondContact O-N 3.27Å; N326-A329 PolarHBondContact O-N 2.84Å; A329-Q332 WeakPolarHBondContact O-CB 3.35Å; A329-Q332 PolarHBondContact O-N 3.18Å; A329-L333 PolarHBondContact O-N 3.44Å |
| 330 | M | 90.7 | Very high | 90.5 | Very high | 120 Ų | 120 | 35.1 Ų | 35.1 | 59% | 0.591 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -63 | -42.7 | 172.6 | -80.4 | 179.8 | 56 | 0 | 0 | 112.3 | L176 N326 A327 F328 Q332 L333 | L176-M330 HydrophobicContact CD2-CG 4.16Å; N326-M330 WeakPolarHBondContact O-CB 3.39Å; N326-M330 WeakPolarHBondContact O-CG 3.36Å; N326-M330 PolarHBondContact O-N 3.04Å; A327-M330 PolarHBondContact O-N 3.15Å; F328-M330 VanDerWaalsContact C-N 3.32Å; F328-M330 PolarHBondContact O-N 2.79Å; M330-Q332 PolarHBondContact O-N 2.75Å; M330-L333 WeakPolarHBondContact O-CB 2.96Å; M330-L333 PolarHBondContact O-N 3Å |
| 331 | T | 91.8 | Very high | 90.8 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 15% | 0.153 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -34.7 | 176.7 | 57 | 0 | 0 | 0 | 0 | 111.6 | A327 F328 L333 C334 F398 I399 V402 | A327-T331 WeakPolarHBondContact O-CG2 3.36Å; A327-T331 PolarHBondContact O-N 2.71Å; A327-T331 PolarHBondContact O-OG1 3.3Å; F328-T331 PolarHBondContact O-N 3.06Å; F328-T331 VanDerWaalsContact O-N 3.12Å; F328-T331 PolarHBondContact O-OG1 3.42Å; T331-L333 VanDerWaalsContact C-N 3.27Å; T331-L333 PolarHBondContact O-N 3.41Å; T331-C334 VanDerWaalsContact O-CB 3.3Å; T331-C334 WeakPolarHBondContact O-CB 3.38Å; T331-C334 PolarHBondContact O-N 2.92Å; T331-F398 HydrophobicContact CG2-CB 4.14Å; T331-I399 HydrophobicContact CG2-CG1 4.1Å; T331-V402 WeakPolarHBondContact O-CG1 3.46Å |
| 332 | Q | 89.1 | Confident | 91.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -32.9 | 178.3 | -66.3 | -179 | -28.7 | 0 | 0 | 112.7 | F31 S170 S172 F328 A329 M330 C334 G335 V402 | F31-Q332 PolarHBondContact O-NE2 2.66Å; S170-Q332 WeakPolarHBondContact CA-O 3.3Å; S170-Q332 PolarHBondContact OG-O 3.33Å; S172-Q332 WeakPolarHBondContact OG-CB 3.43Å; S172-Q332 VanDerWaalsContact OG-CD 3.32Å; S172-Q332 PolarHBondContact OG-OE1 3.45Å; F328-Q332 HydrophobicContact CE1-CG 4.39Å; F328-Q332 HydrophobicContact CE2-CG 4.39Å; F328-Q332 HydrophobicContact CZ-CG 4.24Å; F328-Q332 WeakPolarHBondContact O-CG 3.47Å; F328-Q332 PolarHBondContact O-N 3.32Å; A329-Q332 WeakPolarHBondContact O-CB 3.35Å; A329-Q332 PolarHBondContact O-N 3.18Å; M330-Q332 PolarHBondContact O-N 2.75Å; Q332-C334 PolarHBondContact O-N 3.35Å; Q332-C334 VanDerWaalsContact O-N 3.13Å; Q332-G335 PolarHBondContact O-N 2.84Å; Q332-V402 HydrophobicContact CB-CG2 4.41Å; Q332-V402 HydrophobicContact CG-CG2 4Å |
| 333 | L | 88.4 | Confident | 91.4 | Very high | 74 Ų | 74 | 37.5 Ų | 37.5 | 39% | 0.387 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.7 | -27.1 | 173.9 | -71.2 | 169 | 0 | 0 | 0 | 112.5 | S170 A329 M330 T331 G335 | S170-L333 WeakPolarHBondContact CB-O 3.38Å; S170-L333 VanDerWaalsContact OG-C 3.32Å; S170-L333 PolarHBondContact OG-O 3.04Å; A329-L333 PolarHBondContact O-N 3.44Å; M330-L333 WeakPolarHBondContact O-CB 2.96Å; M330-L333 PolarHBondContact O-N 3Å; T331-L333 VanDerWaalsContact C-N 3.27Å; T331-L333 PolarHBondContact O-N 3.41Å; L333-G335 VanDerWaalsContact C-N 3.26Å; L333-G335 PolarHBondContact O-N 3.24Å |
| 334 | C | 90.2 | Very high | 91.5 | Very high | 58 Ų | 58 | 37.1 Ų | 37.1 | 39% | 0.392 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.1 | 179.2 | -59.7 | 0 | 0 | 0 | 0 | 114 | T331 Q332 V336 L337 C338 | T331-C334 VanDerWaalsContact O-CB 3.3Å; T331-C334 WeakPolarHBondContact O-CB 3.38Å; T331-C334 PolarHBondContact O-N 2.92Å; Q332-C334 PolarHBondContact O-N 3.35Å; Q332-C334 VanDerWaalsContact O-N 3.13Å; C334-V336 VanDerWaalsContact C-N 3.26Å; C334-V336 PolarHBondContact O-N 2.71Å; C334-L337 WeakPolarHBondContact O-CB 3.5Å; C334-L337 PolarHBondContact O-N 3.33Å; C334-C338 PolarHBondContact O-N 2.92Å |
| 335 | G | 88 | Confident | 91.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.7 | -38.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S170 Q332 L333 L337 C338 A339 S406 | S170-G335 PolarHBondContact OG-N 3.29Å; Q332-G335 PolarHBondContact O-N 2.84Å; L333-G335 VanDerWaalsContact C-N 3.26Å; L333-G335 PolarHBondContact O-N 3.24Å; G335-L337 PolarHBondContact O-N 3.24Å; G335-C338 PolarHBondContact O-N 3.15Å; G335-C338 VanDerWaalsContact O-N 3.11Å; G335-A339 WeakPolarHBondContact O-CB 3.39Å; G335-A339 PolarHBondContact O-N 3.42Å; G335-S406 WeakPolarHBondContact CA-OG 3.32Å; G335-S406 PolarHBondContact O-OG 3.41Å |
| 336 | V | 92.6 | Very high | 91.8 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 16% | 0.158 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -28.1 | 174.5 | 71.2 | 0 | 0 | 0 | 0 | 113.4 | F163 G166 A167 S170 C334 P340 | F163-V336 HydrophobicContact CD2-CG2 3.9Å; F163-V336 HydrophobicContact CE2-CG2 3.47Å; F163-V336 VanDerWaalsContact CE2-CG2 3.47Å; F163-V336 WeakPolarHBondContact CE2-O 2.95Å; F163-V336 HydrophobicContact CZ-CG2 4.48Å; G166-V336 PolarHBondContact O-N 3.18Å; A167-V336 HydrophobicContact CB-CG2 4.34Å; S170-V336 WeakPolarHBondContact OG-CB 3.45Å; S170-V336 PolarHBondContact OG-N 3.04Å; C334-V336 VanDerWaalsContact C-N 3.26Å; C334-V336 PolarHBondContact O-N 2.71Å; V336-P340 WeakPolarHBondContact O-CD 3.45Å; V336-P340 WeakPolarHBondContact O-CG 3.5Å |
| 337 | L | 92.9 | Very high | 91.9 | Very high | 115 Ų | 115 | 36.4 Ų | 36.4 | 60% | 0.602 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -83.5 | -32.8 | 176.9 | -57.2 | 178.1 | 0 | 0 | 0 | 111.9 | C334 G335 | C334-L337 WeakPolarHBondContact O-CB 3.5Å; C334-L337 PolarHBondContact O-N 3.33Å; G335-L337 PolarHBondContact O-N 3.24Å |
| 338 | C | 92.3 | Very high | 91.7 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 12% | 0.122 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -80.8 | -37.1 | -178.4 | -64.2 | 0 | 0 | 0 | 0 | 112.9 | C334 G335 W341 L403 F407 | C334-C338 PolarHBondContact O-N 2.92Å; G335-C338 PolarHBondContact O-N 3.15Å; G335-C338 VanDerWaalsContact O-N 3.11Å; C338-W341 WeakPolarHBondContact O-CB 3.35Å; C338-W341 PolarHBondContact O-N 2.87Å; C338-L403 HydrophobicContact CB-CD1 3.82Å; C338-F407 WeakPolarHBondContact O-CE2 3.18Å |
| 339 | A | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -37 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T162 G335 W341 N342 | T162-A339 WeakPolarHBondContact CB-O 3.4Å; T162-A339 WeakPolarHBondContact O-CB 3.49Å; T162-A339 PolarHBondContact OG1-O 2.96Å; G335-A339 WeakPolarHBondContact O-CB 3.39Å; G335-A339 PolarHBondContact O-N 3.42Å; A339-W341 PolarHBondContact O-N 3.41Å; A339-N342 PolarHBondContact O-N 3.22Å |
| 340 | P | 93.6 | Very high | 91.1 | Very high | 22 Ų | 22 | 47.1 Ų | 47.1 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.8 | -31.1 | 175.7 | -27.1 | 36.6 | 0 | 0 | 0 | 113.6 | T159 F163 V336 N342 G343 L344 | T159-P340 HydrophobicContact CG2-CB 4.48Å; F163-P340 HydrophobicContact CB-CG 4.42Å; F163-P340 HydrophobicContact CD2-CG 3.57Å; F163-P340 HydrophobicContact CE2-CG 3.81Å; F163-P340 HydrophobicContact CG-CG 4.06Å; V336-P340 WeakPolarHBondContact O-CD 3.45Å; V336-P340 WeakPolarHBondContact O-CG 3.5Å; P340-N342 VanDerWaalsContact C-N 3.27Å; P340-N342 PolarHBondContact O-N 3.47Å; P340-G343 PolarHBondContact O-N 3.32Å; P340-G343 VanDerWaalsContact O-N 3.13Å; P340-L344 WeakPolarHBondContact O-CG 3.39Å; P340-L344 PolarHBondContact O-N 3.02Å |
| 341 | W | 94.7 | Very high | 90.2 | Very high | 145 Ų | 145 | 45.3 Ų | 45.3 | 55% | 0.549 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.1 | -40.5 | 178.3 | -63.8 | -20.3 | 0 | 0 | 0 | 112.1 | C338 A339 L344 I345 L403 F407 | C338-W341 WeakPolarHBondContact O-CB 3.35Å; C338-W341 PolarHBondContact O-N 2.87Å; A339-W341 PolarHBondContact O-N 3.41Å; W341-L344 PolarHBondContact O-N 3.27Å; W341-I345 WeakPolarHBondContact O-CD1 3.44Å; W341-I345 VanDerWaalsContact O-CG1 3.31Å; W341-I345 WeakPolarHBondContact O-CG1 3.45Å; W341-I345 PolarHBondContact O-N 2.9Å; W341-L403 HydrophobicContact CE3-CD1 3.99Å; W341-L403 HydrophobicContact CZ3-CD1 3.99Å; W341-F407 HydrophobicContact CB-CE2 4.1Å; W341-F407 HydrophobicContact CB-CZ 3.88Å |
| 342 | N | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 176.8 | -167.7 | 41.4 | 0 | 0 | 0 | 112.1 | T162 A339 P340 I345 L346 S371 F407 G411 | T162-N342 HydrophobicContact CG2-CB 4.38Å; A339-N342 PolarHBondContact O-N 3.22Å; P340-N342 VanDerWaalsContact C-N 3.27Å; P340-N342 PolarHBondContact O-N 3.47Å; N342-I345 WeakPolarHBondContact O-CB 3.4Å; N342-I345 PolarHBondContact O-N 3.25Å; N342-L346 WeakPolarHBondContact O-CG 3.44Å; N342-L346 PolarHBondContact O-N 3.39Å; N342-S371 PolarHBondContact ND2-OG 3.44Å; N342-S371 WeakPolarHBondContact OD1-CB 3.34Å; N342-S371 PolarHBondContact OD1-OG 3.37Å; N342-F407 HydrophobicContact CB-CB 4.41Å; N342-F407 HydrophobicContact CB-CD1 3.65Å; N342-F407 HydrophobicContact CB-CD2 3.88Å; N342-F407 HydrophobicContact CB-CE1 3.75Å; N342-F407 HydrophobicContact CB-CE2 3.97Å; N342-F407 HydrophobicContact CB-CG 3.72Å; N342-F407 HydrophobicContact CB-CZ 3.9Å; N342-F407 PolarHBondContact ND2-O 3.04Å; N342-F407 VanDerWaalsContact ND2-O 3.15Å; N342-F407 VanDerWaalsContact OD1-CD1 3.28Å; N342-F407 WeakPolarHBondContact OD1-CD1 3.07Å; N342-G411 WeakPolarHBondContact ND2-CA 3.19Å; N342-G411 PolarHBondContact ND2-N 2.89Å |
| 343 | G | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.1 | -34.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T159 T162 P340 I345 L346 D347 | T159-G343 PolarHBondContact OG1-O 3.28Å; T162-G343 WeakPolarHBondContact OG1-CA 3.49Å; T162-G343 PolarHBondContact OG1-N 2.96Å; P340-G343 PolarHBondContact O-N 3.32Å; P340-G343 VanDerWaalsContact O-N 3.13Å; G343-I345 VanDerWaalsContact C-N 3.29Å; G343-I345 PolarHBondContact O-N 3.22Å; G343-L346 WeakPolarHBondContact O-CB 3.22Å; G343-L346 PolarHBondContact O-N 3.27Å; G343-L346 VanDerWaalsContact O-N 3.16Å; G343-D347 PolarHBondContact O-N 3.46Å |
| 344 | L | 94.3 | Very high | 88.7 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 51% | 0.508 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 171.4 | -71.6 | 173.1 | 0 | 0 | 0 | 112 | T159 P340 W341 R348 | T159-L344 HydrophobicContact CG2-CD2 4.13Å; T159-L344 HydrophobicContact CG2-CG 4.21Å; T159-L344 PolarHBondContact OG1-N 3.17Å; P340-L344 WeakPolarHBondContact O-CG 3.39Å; P340-L344 PolarHBondContact O-N 3.02Å; W341-L344 PolarHBondContact O-N 3.27Å; L344-R348 PolarHBondContact O-N 2.91Å |
| 345 | I | 94.4 | Very high | 88.1 | Confident | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.179 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 173.1 | -67.9 | 161.7 | 0 | 0 | 0 | 110.1 | W341 N342 G343 R348 S367 L370 L374 F407 | W341-I345 WeakPolarHBondContact O-CD1 3.44Å; W341-I345 VanDerWaalsContact O-CG1 3.31Å; W341-I345 WeakPolarHBondContact O-CG1 3.45Å; W341-I345 PolarHBondContact O-N 2.9Å; N342-I345 WeakPolarHBondContact O-CB 3.4Å; N342-I345 PolarHBondContact O-N 3.25Å; G343-I345 VanDerWaalsContact C-N 3.29Å; G343-I345 PolarHBondContact O-N 3.22Å; I345-R348 VanDerWaalsContact O-CB 3.24Å; I345-R348 WeakPolarHBondContact O-CB 3.45Å; I345-R348 PolarHBondContact O-N 3.1Å; I345-S367 WeakPolarHBondContact O-CB 3.45Å; I345-L370 HydrophobicContact CG2-CB 4.25Å; I345-L370 HydrophobicContact CG2-CD2 3.94Å; I345-L370 HydrophobicContact CG2-CG 4.01Å; I345-L374 HydrophobicContact CD1-CD1 3.72Å; I345-F407 HydrophobicContact CD1-CE1 4.15Å |
| 346 | L | 91.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 179.4 | -72.3 | 161.4 | 0 | 0 | 0 | 113 | T162 N342 G343 R348 S367 S368 A414 I418 | T162-L346 HydrophobicContact CG2-CD1 4.38Å; N342-L346 WeakPolarHBondContact O-CG 3.44Å; N342-L346 PolarHBondContact O-N 3.39Å; G343-L346 WeakPolarHBondContact O-CB 3.22Å; G343-L346 PolarHBondContact O-N 3.27Å; G343-L346 VanDerWaalsContact O-N 3.16Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 3.02Å; L346-S367 WeakPolarHBondContact O-CB 3.43Å; L346-S367 PolarHBondContact O-OG 3.48Å; L346-S368 WeakPolarHBondContact CD2-OG 3.37Å; L346-A414 HydrophobicContact CD1-CB 3.58Å; L346-I418 HydrophobicContact CD2-CD1 4.18Å |
| 347 | D | 92.2 | Very high | 86.5 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.059 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 3.3 | 179.3 | -67 | -33 | 0 | 0 | 0 | 113.3 | H156 S158 T159 G343 H349 K350 | H156-D347 VanDerWaalsContact CA-OD2 3.29Å; H156-D347 WeakPolarHBondContact CA-OD2 3.23Å; S158-D347 WeakPolarHBondContact CB-OD1 3.33Å; S158-D347 PolarHBondContact N-OD1 3.49Å; S158-D347 VanDerWaalsContact N-OD1 3.14Å; S158-D347 PolarHBondContact N-OD2 2.97Å; S158-D347 VanDerWaalsContact N-OD2 3.12Å; S158-D347 PolarHBondContact OG-OD1 3.33Å; T159-D347 WeakPolarHBondContact CB-OD2 3.43Å; T159-D347 PolarHBondContact N-OD2 3.39Å; T159-D347 PolarHBondContact OG1-OD2 3.35Å; G343-D347 PolarHBondContact O-N 3.46Å; D347-H349 PolarHBondContact O-N 2.96Å; D347-K350 HydrophobicContact CB-CD 4.18Å; D347-K350 HydrophobicContact CB-CG 4.41Å; D347-K350 WeakPolarHBondContact O-CB 3.46Å; D347-K350 PolarHBondContact O-N 3.39Å; D347-K350 VanDerWaalsContact OD1-CD 3.3Å; D347-K350 WeakPolarHBondContact OD1-CD 3.4Å; D347-K350 VanDerWaalsContact OD1-CE 3.25Å; D347-K350 WeakPolarHBondContact OD1-CE 3.16Å; D347-K350 IonicContact OD1-NZ 3.84Å; D347-K350 PolarHBondContact OD1-NZ 3.05Å |
| 348 | R | 89.3 | Confident | 85.9 | Confident | 148 Ų | 148 | 62 Ų | 62 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.7 | -173 | -175.9 | 177.8 | -168.2 | -175.5 | 3.5 | 114.9 | L344 I345 L346 K352 | L344-R348 PolarHBondContact O-N 2.91Å; I345-R348 VanDerWaalsContact O-CB 3.24Å; I345-R348 WeakPolarHBondContact O-CB 3.45Å; I345-R348 PolarHBondContact O-N 3.1Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 3.02Å; R348-K352 WeakPolarHBondContact O-CD 3.19Å; R348-K352 VanDerWaalsContact O-CE 3.24Å; R348-K352 WeakPolarHBondContact O-CE 3.32Å; R348-K352 PolarHBondContact O-NZ 3.36Å |
| 349 | H | 84.9 | Confident | 85.4 | Confident | 65 Ų | 65 | 64 Ų | 64 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -4.1 | -179 | -74 | -71.9 | 0 | 0 | 0 | 113.8 | D347 K352 A363 S367 | D347-H349 PolarHBondContact O-N 2.96Å; H349-K352 PolarHBondContact O-N 3.4Å; H349-A363 HydrophobicContact CB-CB 4.45Å; H349-S367 PolarHBondContact CD2-OG 3.39Å |
| 350 | K | 82.6 | Confident | 84.8 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 12% | 0.122 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 134.4 | 177.4 | -67.9 | -166.3 | 175.9 | -178.1 | 0 | 111.4 | A154 D347 K352 D364 | A154-K350 WeakPolarHBondContact O-CD 3.24Å; D347-K350 HydrophobicContact CB-CD 4.18Å; D347-K350 HydrophobicContact CB-CG 4.41Å; D347-K350 WeakPolarHBondContact O-CB 3.46Å; D347-K350 PolarHBondContact O-N 3.39Å; D347-K350 VanDerWaalsContact OD1-CD 3.3Å; D347-K350 WeakPolarHBondContact OD1-CD 3.4Å; D347-K350 VanDerWaalsContact OD1-CE 3.25Å; D347-K350 WeakPolarHBondContact OD1-CE 3.16Å; D347-K350 IonicContact OD1-NZ 3.84Å; D347-K350 PolarHBondContact OD1-NZ 3.05Å; K350-K352 PolarHBondContact O-N 3.14Å; K350-D364 VanDerWaalsContact CE-CG 3.46Å; K350-D364 VanDerWaalsContact CE-OD1 3.27Å; K350-D364 WeakPolarHBondContact CE-OD1 3.19Å; K350-D364 WeakPolarHBondContact CE-OD2 3.29Å; K350-D364 WeakPolarHBondContact CG-OD1 3.4Å; K350-D364 IonicContact NZ-OD2 3.74Å |
| 351 | G | 71.6 | Confident | 84.3 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 86% | 0.856 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 5.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 352 | K | 81.1 | Confident | 83.8 | Confident | 106 Ų | 106 | 65.2 Ų | 65.2 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -91.3 | 156.4 | 174.9 | -70.2 | -176.9 | 179.3 | 162.7 | 0 | 112 | R348 H349 K350 R354 | R348-K352 WeakPolarHBondContact O-CD 3.19Å; R348-K352 VanDerWaalsContact O-CE 3.24Å; R348-K352 WeakPolarHBondContact O-CE 3.32Å; R348-K352 PolarHBondContact O-NZ 3.36Å; H349-K352 PolarHBondContact O-N 3.4Å; K350-K352 PolarHBondContact O-N 3.14Å; K352-R354 PolarHBondContact O-N 2.92Å |
| 353 | P | 76.4 | Confident | 83.3 | Confident | 135 Ų | 135 | 65.7 Ų | 65.7 | 88% | 0.877 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 129.9 | 173.1 | -20 | 30.8 | 0 | 0 | 0 | 110.4 | ||
| 354 | R | 80.4 | Confident | 83 | Confident | 132 Ų | 132 | 66.1 Ų | 66.1 | 50% | 0.498 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 152.7 | -178.7 | -61.8 | 173.2 | -173.3 | 154.6 | -3.4 | 109.9 | K352 E358 E360 | K352-R354 PolarHBondContact O-N 2.92Å; R354-E358 HydrophobicContact CB-CB 4.48Å; R354-E360 IonicContact CZ-OE2 3.24Å; R354-E360 VanDerWaalsContact NH2-CD 3.29Å; R354-E360 IonicContact NH2-OE2 3.86Å; R354-E360 PolarHBondContact NH2-OE2 3.38Å |
| 355 | A | 78 | Confident | 82.7 | Confident | 52 Ų | 52 | 62 Ų | 62 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 149.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G357 E358 | A355-G357 PolarHBondContact O-N 3.25Å; A355-E358 HydrophobicContact CB-CB 4.11Å; A355-E358 PolarHBondContact N-OE2 3.42Å; A355-E358 VanDerWaalsContact O-CB 3.24Å; A355-E358 WeakPolarHBondContact O-CB 3.47Å; A355-E358 PolarHBondContact O-N 3.19Å |
| 356 | P | 73.7 | Confident | 82.4 | Confident | 122 Ų | 122 | 66.5 Ų | 66.5 | 79% | 0.792 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 129 | 176.5 | 21.2 | -30.4 | 0 | 0 | 0 | 110.6 | E358 | P356-E358 VanDerWaalsContact C-N 3.32Å; P356-E358 PolarHBondContact O-N 3.46Å |
| 357 | G | 71.4 | Confident | 82.3 | Confident | 66 Ų | 66 | 66.7 Ų | 66.7 | 68% | 0.68 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 7.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | A355 R490 | A355-G357 PolarHBondContact O-N 3.25Å; G357-R490 PolarHBondContact O-NE 2.81Å; G357-R490 PolarHBondContact O-NH2 3.24Å |
| 358 | E | 80.4 | Confident | 82.2 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 17% | 0.173 | 37% | 0.369 | C | S | . | . | trans | -88.7 | 121.7 | 175.5 | -175.2 | 169 | -128.8 | 0 | 0 | 112.7 | R354 A355 P356 D362 A363 R490 | R354-E358 HydrophobicContact CB-CB 4.48Å; A355-E358 HydrophobicContact CB-CB 4.11Å; A355-E358 PolarHBondContact N-OE2 3.42Å; A355-E358 VanDerWaalsContact O-CB 3.24Å; A355-E358 WeakPolarHBondContact O-CB 3.47Å; A355-E358 PolarHBondContact O-N 3.19Å; P356-E358 VanDerWaalsContact C-N 3.32Å; P356-E358 PolarHBondContact O-N 3.46Å; E358-D362 HydrophobicContact CG-CB 4.12Å; E358-A363 HydrophobicContact CG-CB 4.49Å; E358-R490 IonicContact OE1-NH1 3.99Å | ||
| 359 | T | 82.6 | Confident | 82.3 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 37% | 0.368 | 36% | 0.355 | S | S | . | . | trans | -75.3 | 156.6 | 174 | 74.5 | 0 | 0 | 0 | 0 | 110.9 | Q361 D362 A363 | T359-Q361 PolarHBondContact O-N 2.96Å; T359-D362 PolarHBondContact O-N 3.01Å; T359-D362 VanDerWaalsContact O-N 3.17Å; T359-D362 PolarHBondContact OG1-N 2.95Å; T359-D362 PolarHBondContact OG1-OD2 3.33Å; T359-A363 PolarHBondContact O-N 3.09Å | ||
| 360 | E | 80.6 | Confident | 82.7 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.5 | -40.2 | 175.3 | -173.1 | 170 | 152.2 | 0 | 0 | 112.1 | Y217 R354 D362 A363 D364 | Y217-E360 PolarHBondContact OH-OE1 3.19Å; R354-E360 IonicContact CZ-OE2 3.24Å; R354-E360 VanDerWaalsContact NH2-CD 3.29Å; R354-E360 IonicContact NH2-OE2 3.86Å; R354-E360 PolarHBondContact NH2-OE2 3.38Å; E360-D362 VanDerWaalsContact C-N 3.29Å; E360-D362 PolarHBondContact O-N 2.73Å; E360-A363 PolarHBondContact O-N 3.03Å; E360-D364 PolarHBondContact O-N 3.17Å |
| 361 | Q | 82.3 | Confident | 83.3 | Confident | 101 Ų | 101 | 60.7 Ų | 60.7 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -35.2 | 179.1 | -167.5 | 179 | 2.8 | 0 | 0 | 112.4 | T359 D364 L365 I418 A419 | T359-Q361 PolarHBondContact O-N 2.96Å; Q361-D364 PolarHBondContact O-N 2.95Å; Q361-L365 VanDerWaalsContact O-CB 3.29Å; Q361-L365 WeakPolarHBondContact O-CB 3.31Å; Q361-L365 PolarHBondContact O-N 3.42Å; Q361-I418 WeakPolarHBondContact CG-O 3.4Å; Q361-I418 PolarHBondContact NE2-O 3.08Å; Q361-A419 PolarHBondContact NE2-O 3.06Å |
| 362 | D | 83.9 | Confident | 84.5 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.1 | -38.3 | 179.5 | -67.2 | -47.1 | 0 | 0 | 0 | 112.8 | E358 T359 E360 L365 R366 K486 R490 | E358-D362 HydrophobicContact CG-CB 4.12Å; T359-D362 PolarHBondContact O-N 3.01Å; T359-D362 VanDerWaalsContact O-N 3.17Å; T359-D362 PolarHBondContact OG1-N 2.95Å; T359-D362 PolarHBondContact OG1-OD2 3.33Å; E360-D362 VanDerWaalsContact C-N 3.29Å; E360-D362 PolarHBondContact O-N 2.73Å; D362-L365 PolarHBondContact O-N 3.08Å; D362-R366 WeakPolarHBondContact O-CB 3.09Å; D362-R366 PolarHBondContact O-N 3.33Å; D362-K486 WeakPolarHBondContact OD1-CD 3.44Å; D362-K486 WeakPolarHBondContact OD1-CE 3.29Å; D362-K486 IonicContact OD1-NZ 3.33Å; D362-K486 PolarHBondContact OD1-NZ 2.72Å; D362-K486 WeakPolarHBondContact OD2-CE 3.43Å; D362-K486 IonicContact OD2-NZ 2.68Å; D362-K486 PolarHBondContact OD2-NZ 3.31Å; D362-R490 IonicContact OD2-CZ 2.88Å; D362-R490 IonicContact OD2-NH1 2.61Å; D362-R490 IonicContact OD2-NH2 3.67Å; D362-R490 PolarHBondContact OD2-NH2 3.01Å |
| 363 | A | 84.6 | Confident | 85.2 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | H349 E358 T359 E360 R366 S367 | H349-A363 HydrophobicContact CB-CB 4.45Å; E358-A363 HydrophobicContact CG-CB 4.49Å; T359-A363 PolarHBondContact O-N 3.09Å; E360-A363 PolarHBondContact O-N 3.03Å; A363-R366 WeakPolarHBondContact O-CB 3.41Å; A363-R366 PolarHBondContact O-N 3.04Å; A363-S367 PolarHBondContact O-N 3.37Å; A363-S367 PolarHBondContact O-OG 3.13Å |
| 364 | D | 85.9 | Confident | 86.1 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | 176.4 | -76.6 | -2.8 | 0 | 0 | 0 | 112.2 | K350 E360 Q361 R366 S367 S368 I418 | K350-D364 VanDerWaalsContact CE-CG 3.46Å; K350-D364 VanDerWaalsContact CE-OD1 3.27Å; K350-D364 WeakPolarHBondContact CE-OD1 3.19Å; K350-D364 WeakPolarHBondContact CE-OD2 3.29Å; K350-D364 WeakPolarHBondContact CG-OD1 3.4Å; K350-D364 IonicContact NZ-OD2 3.74Å; E360-D364 PolarHBondContact O-N 3.17Å; Q361-D364 PolarHBondContact O-N 2.95Å; D364-R366 VanDerWaalsContact C-N 3.3Å; D364-R366 PolarHBondContact O-N 2.72Å; D364-S367 WeakPolarHBondContact O-CB 3.27Å; D364-S367 PolarHBondContact O-N 3.13Å; D364-S368 PolarHBondContact O-N 3.34Å; D364-S368 VanDerWaalsContact O-N 3.16Å; D364-S368 PolarHBondContact O-OG 2.95Å; D364-I418 HydrophobicContact CB-CD1 4.4Å; D364-I418 HydrophobicContact CB-CG1 4.3Å; D364-I418 HydrophobicContact CB-CG2 3.65Å |
| 365 | L | 88 | Confident | 86.9 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.8 | -34.4 | 175.4 | -168.6 | 68.4 | 0 | 0 | 0 | 111.6 | F284 Q361 D362 S367 S368 F415 A419 V479 | F284-L365 HydrophobicContact CE1-CD1 4.37Å; F284-L365 HydrophobicContact CE1-CD2 4.24Å; F284-L365 HydrophobicContact CZ-CD2 4.01Å; Q361-L365 VanDerWaalsContact O-CB 3.29Å; Q361-L365 WeakPolarHBondContact O-CB 3.31Å; Q361-L365 PolarHBondContact O-N 3.42Å; D362-L365 PolarHBondContact O-N 3.08Å; L365-S367 VanDerWaalsContact C-N 3.33Å; L365-S367 PolarHBondContact O-N 2.92Å; L365-S368 VanDerWaalsContact O-CB 3.31Å; L365-S368 WeakPolarHBondContact O-CB 3.35Å; L365-S368 PolarHBondContact O-N 2.93Å; L365-S368 VanDerWaalsContact O-N 3.08Å; L365-F415 HydrophobicContact CD1-CE2 3.92Å; L365-A419 HydrophobicContact CD1-CB 4.48Å; L365-V479 HydrophobicContact CD1-CG1 4.13Å; L365-V479 HydrophobicContact CG-CG1 4.05Å |
| 366 | R | 88.2 | Confident | 87.8 | Confident | 128 Ų | 128 | 43.2 Ų | 43.2 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.8 | -34.4 | 172.5 | -173.3 | -178.7 | 177.5 | 178.8 | -0.4 | 112.1 | D362 A363 D364 S368 Y369 | D362-R366 WeakPolarHBondContact O-CB 3.09Å; D362-R366 PolarHBondContact O-N 3.33Å; A363-R366 WeakPolarHBondContact O-CB 3.41Å; A363-R366 PolarHBondContact O-N 3.04Å; D364-R366 VanDerWaalsContact C-N 3.3Å; D364-R366 PolarHBondContact O-N 2.72Å; R366-S368 VanDerWaalsContact C-N 3.26Å; R366-S368 PolarHBondContact O-N 3.2Å; R366-Y369 HydrophobicContact CG-CE1 3.96Å; R366-Y369 WeakPolarHBondContact O-CD1 3.42Å; R366-Y369 WeakPolarHBondContact O-CE1 3.31Å |
| 367 | S | 89.8 | Confident | 88.9 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67 | -32 | 170.9 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | I345 L346 H349 A363 D364 L365 Y369 L370 | I345-S367 WeakPolarHBondContact O-CB 3.45Å; L346-S367 WeakPolarHBondContact O-CB 3.43Å; L346-S367 PolarHBondContact O-OG 3.48Å; H349-S367 PolarHBondContact CD2-OG 3.39Å; A363-S367 PolarHBondContact O-N 3.37Å; A363-S367 PolarHBondContact O-OG 3.13Å; D364-S367 WeakPolarHBondContact O-CB 3.27Å; D364-S367 PolarHBondContact O-N 3.13Å; L365-S367 VanDerWaalsContact C-N 3.33Å; L365-S367 PolarHBondContact O-N 2.92Å; S367-Y369 PolarHBondContact O-N 2.92Å; S367-L370 PolarHBondContact O-N 3.44Å |
| 368 | S | 91 | Very high | 90.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.5 | -34.6 | -171.9 | -60 | 0 | 0 | 0 | 0 | 114.4 | L346 D364 L365 R366 L370 S371 L372 | L346-S368 WeakPolarHBondContact CD2-OG 3.37Å; D364-S368 PolarHBondContact O-N 3.34Å; D364-S368 VanDerWaalsContact O-N 3.16Å; D364-S368 PolarHBondContact O-OG 2.95Å; L365-S368 VanDerWaalsContact O-CB 3.31Å; L365-S368 WeakPolarHBondContact O-CB 3.35Å; L365-S368 PolarHBondContact O-N 2.93Å; L365-S368 VanDerWaalsContact O-N 3.08Å; R366-S368 VanDerWaalsContact C-N 3.26Å; R366-S368 PolarHBondContact O-N 3.2Å; S368-L370 VanDerWaalsContact C-N 3.28Å; S368-L370 PolarHBondContact O-N 3.4Å; S368-S371 PolarHBondContact O-N 3.07Å; S368-L372 VanDerWaalsContact O-CG 3.28Å; S368-L372 WeakPolarHBondContact O-CG 3.38Å; S368-L372 PolarHBondContact O-N 3.49Å |
| 369 | Y | 92.1 | Very high | 90.9 | Very high | 68 Ų | 68 | 36.3 Ų | 36.3 | 27% | 0.267 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.1 | -35 | 179.1 | 81 | -98.7 | 0 | 0 | 0 | 112.4 | R366 S367 F373 F480 | R366-Y369 HydrophobicContact CG-CE1 3.96Å; R366-Y369 WeakPolarHBondContact O-CD1 3.42Å; R366-Y369 WeakPolarHBondContact O-CE1 3.31Å; S367-Y369 PolarHBondContact O-N 2.92Å; Y369-F373 VanDerWaalsContact O-CB 3.27Å; Y369-F373 WeakPolarHBondContact O-CB 3.32Å; Y369-F373 PolarHBondContact O-N 3.49Å; Y369-F480 HydrophobicContact CD1-CD2 4.5Å; Y369-F480 HydrophobicContact CD2-CB 4.42Å; Y369-F480 HydrophobicContact CD2-CD2 4.24Å; Y369-F480 HydrophobicContact CE1-CD2 4.41Å; Y369-F480 HydrophobicContact CE2-CD2 4.16Å; Y369-F480 HydrophobicContact CG-CB 4.29Å; Y369-F480 HydrophobicContact CG-CD2 4.46Å |
| 370 | L | 93.3 | Very high | 91.5 | Very high | 54 Ų | 54 | 35.2 Ų | 35.2 | 28% | 0.283 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.7 | -44.3 | 179.5 | 178.5 | 61.3 | 0 | 0 | 0 | 110.8 | I345 S367 S368 F373 L374 | I345-L370 HydrophobicContact CG2-CB 4.25Å; I345-L370 HydrophobicContact CG2-CD2 3.94Å; I345-L370 HydrophobicContact CG2-CG 4.01Å; S367-L370 PolarHBondContact O-N 3.44Å; S368-L370 VanDerWaalsContact C-N 3.28Å; S368-L370 PolarHBondContact O-N 3.4Å; L370-F373 PolarHBondContact O-N 3.24Å; L370-L374 HydrophobicContact CD1-CD1 4.05Å; L370-L374 HydrophobicContact CD1-CG 4.16Å; L370-L374 HydrophobicContact CG-CD1 4.03Å; L370-L374 WeakPolarHBondContact O-CB 3.48Å; L370-L374 VanDerWaalsContact O-CG 3.29Å; L370-L374 WeakPolarHBondContact O-CG 3.44Å; L370-L374 PolarHBondContact O-N 3.33Å |
| 371 | S | 94.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.1 | -49.8 | 173.5 | 166 | 0 | 0 | 0 | 0 | 111.4 | N342 S368 F373 L374 T375 | N342-S371 PolarHBondContact ND2-OG 3.44Å; N342-S371 WeakPolarHBondContact OD1-CB 3.34Å; N342-S371 PolarHBondContact OD1-OG 3.37Å; S368-S371 PolarHBondContact O-N 3.07Å; S371-F373 PolarHBondContact O-N 3.07Å; S371-L374 PolarHBondContact O-N 2.68Å; S371-T375 WeakPolarHBondContact O-CB 3.47Å; S371-T375 PolarHBondContact O-N 3.12Å; S371-T375 PolarHBondContact O-OG1 3.24Å |
| 372 | L | 95.6 | Very high | 93 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 178.7 | -68.8 | 166.9 | 0 | 0 | 0 | 112.4 | W291 S368 T375 S376 F415 H475 P476 V479 | W291-L372 HydrophobicContact CD2-CD2 4.21Å; W291-L372 HydrophobicContact CE3-CD2 4.42Å; W291-L372 HydrophobicContact CH2-CD2 4.04Å; W291-L372 HydrophobicContact CZ2-CD2 3.79Å; W291-L372 HydrophobicContact CZ3-CD2 4.35Å; S368-L372 VanDerWaalsContact O-CG 3.28Å; S368-L372 WeakPolarHBondContact O-CG 3.38Å; S368-L372 PolarHBondContact O-N 3.49Å; L372-T375 PolarHBondContact O-N 2.66Å; L372-S376 WeakPolarHBondContact O-CB 3.16Å; L372-S376 PolarHBondContact O-N 3.26Å; L372-S376 PolarHBondContact O-OG 3.15Å; L372-F415 HydrophobicContact CD1-CD2 4.01Å; L372-F415 HydrophobicContact CD1-CE2 3.95Å; L372-H475 WeakPolarHBondContact CD1-CE1 3.38Å; L372-P476 HydrophobicContact CB-CB 3.9Å; L372-V479 HydrophobicContact CD1-CG2 4.03Å |
| 373 | F | 96.5 | Very high | 93.5 | Very high | 85 Ų | 85 | 31.1 Ų | 31.1 | 37% | 0.373 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64.4 | -48.4 | 177.4 | 180 | -94.8 | 0 | 0 | 0 | 111.7 | Y369 L370 S371 T375 S376 L377 F473 P476 | Y369-F373 VanDerWaalsContact O-CB 3.27Å; Y369-F373 WeakPolarHBondContact O-CB 3.32Å; Y369-F373 PolarHBondContact O-N 3.49Å; L370-F373 PolarHBondContact O-N 3.24Å; S371-F373 PolarHBondContact O-N 3.07Å; F373-T375 VanDerWaalsContact C-N 3.3Å; F373-T375 PolarHBondContact O-N 2.98Å; F373-S376 WeakPolarHBondContact O-CB 3.47Å; F373-S376 PolarHBondContact O-N 2.96Å; F373-S376 VanDerWaalsContact O-N 3.13Å; F373-L377 HydrophobicContact CE1-CD2 4.35Å; F373-L377 WeakPolarHBondContact O-CB 3.23Å; F373-L377 PolarHBondContact O-N 3.49Å; F373-F473 AromaticContact CD2-CD1 3.87Å; F373-F473 HydrophobicContact CD2-CD1 3.87Å; F373-F473 AromaticContact CD2-CE1 3.93Å; F373-F473 HydrophobicContact CD2-CE1 3.93Å; F373-F473 AromaticContact CE2-CD1 3.75Å; F373-F473 HydrophobicContact CE2-CD1 3.75Å; F373-F473 AromaticContact CE2-CE1 3.63Å; F373-F473 HydrophobicContact CE2-CE1 3.63Å; F373-F473 HydrophobicContact CZ-CE1 4.21Å; F373-P476 HydrophobicContact CB-CB 3.99Å; F373-P476 HydrophobicContact CB-CG 4.45Å |
| 374 | L | 96.2 | Very high | 94 | Very high | 53 Ų | 53 | 34.1 Ų | 34.1 | 28% | 0.277 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 178.2 | -72 | 171.3 | 0 | 0 | 0 | 111.7 | I345 L370 S371 S376 L377 Q378 | I345-L374 HydrophobicContact CD1-CD1 3.72Å; L370-L374 HydrophobicContact CD1-CD1 4.05Å; L370-L374 HydrophobicContact CD1-CG 4.16Å; L370-L374 HydrophobicContact CG-CD1 4.03Å; L370-L374 WeakPolarHBondContact O-CB 3.48Å; L370-L374 VanDerWaalsContact O-CG 3.29Å; L370-L374 WeakPolarHBondContact O-CG 3.44Å; L370-L374 PolarHBondContact O-N 3.33Å; S371-L374 PolarHBondContact O-N 2.68Å; L374-S376 VanDerWaalsContact C-N 3.33Å; L374-S376 PolarHBondContact O-N 3.25Å; L374-L377 PolarHBondContact O-N 3.26Å; L374-Q378 WeakPolarHBondContact O-CB 3.4Å; L374-Q378 WeakPolarHBondContact O-CG 3.43Å; L374-Q378 PolarHBondContact O-N 3.09Å |
| 375 | T | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 174.8 | -49.4 | 0 | 0 | 0 | 0 | 111.3 | W291 L295 S371 L372 F373 C379 N404 F407 L408 | W291-T375 HydrophobicContact CH2-CG2 4Å; W291-T375 HydrophobicContact CZ2-CG2 3.55Å; L295-T375 HydrophobicContact CD2-CG2 3.88Å; S371-T375 WeakPolarHBondContact O-CB 3.47Å; S371-T375 PolarHBondContact O-N 3.12Å; S371-T375 PolarHBondContact O-OG1 3.24Å; L372-T375 PolarHBondContact O-N 2.66Å; F373-T375 VanDerWaalsContact C-N 3.3Å; F373-T375 PolarHBondContact O-N 2.98Å; T375-C379 WeakPolarHBondContact O-CB 3.39Å; T375-C379 PolarHBondContact O-N 3.17Å; T375-N404 PolarHBondContact O-ND2 3.49Å; T375-F407 HydrophobicContact CG2-CB 3.93Å; T375-L408 HydrophobicContact CG2-CB 4.28Å |
| 376 | S | 96.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 177.3 | -49.9 | 0 | 0 | 0 | 0 | 111.4 | W291 L372 F373 L374 C379 L380 V472 | W291-S376 PolarHBondContact NE1-OG 2.95Å; W291-S376 VanDerWaalsContact NE1-OG 3.13Å; L372-S376 WeakPolarHBondContact O-CB 3.16Å; L372-S376 PolarHBondContact O-N 3.26Å; L372-S376 PolarHBondContact O-OG 3.15Å; F373-S376 WeakPolarHBondContact O-CB 3.47Å; F373-S376 PolarHBondContact O-N 2.96Å; F373-S376 VanDerWaalsContact O-N 3.13Å; L374-S376 VanDerWaalsContact C-N 3.33Å; L374-S376 PolarHBondContact O-N 3.25Å; S376-C379 WeakPolarHBondContact O-CB 3.43Å; S376-C379 PolarHBondContact O-N 3.27Å; S376-L380 PolarHBondContact O-N 3.02Å; S376-V472 WeakPolarHBondContact OG-CG1 3.46Å |
| 377 | L | 96.9 | Very high | 94.6 | Very high | 52 Ų | 52 | 29.2 Ų | 29.2 | 27% | 0.272 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64.4 | -45 | 177 | -176.7 | 64.6 | 0 | 0 | 0 | 112.5 | F373 L374 C379 L380 F381 F473 | F373-L377 HydrophobicContact CE1-CD2 4.35Å; F373-L377 WeakPolarHBondContact O-CB 3.23Å; F373-L377 PolarHBondContact O-N 3.49Å; L374-L377 PolarHBondContact O-N 3.26Å; L377-C379 VanDerWaalsContact C-N 3.3Å; L377-C379 PolarHBondContact O-N 2.93Å; L377-L380 PolarHBondContact O-N 3.12Å; L377-F381 HydrophobicContact CD1-CD2 4.18Å; L377-F381 HydrophobicContact CD1-CE2 3.56Å; L377-F381 HydrophobicContact CD1-CZ 3.98Å; L377-F381 HydrophobicContact CD2-CE2 4.07Å; L377-F381 HydrophobicContact CG-CD2 3.98Å; L377-F381 HydrophobicContact CG-CE2 3.54Å; L377-F381 HydrophobicContact CG-CZ 4.43Å; L377-F381 VanDerWaalsContact O-CD2 3.25Å; L377-F381 WeakPolarHBondContact O-CD2 3.11Å; L377-F381 PolarHBondContact O-N 2.6Å; L377-F473 HydrophobicContact CB-CE1 4.49Å; L377-F473 HydrophobicContact CB-CZ 4.37Å; L377-F473 HydrophobicContact CD1-CZ 4.49Å |
| 378 | Q | 96.3 | Very high | 94.7 | Very high | 27 Ų | 27 | 32.3 Ų | 32.3 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 173.9 | -73.5 | 165.8 | -2.9 | 0 | 0 | 111.5 | L374 L380 F381 F382 L403 N404 | L374-Q378 WeakPolarHBondContact O-CB 3.4Å; L374-Q378 WeakPolarHBondContact O-CG 3.43Å; L374-Q378 PolarHBondContact O-N 3.09Å; Q378-L380 VanDerWaalsContact C-N 3.35Å; Q378-L380 PolarHBondContact O-N 3.48Å; Q378-F381 PolarHBondContact O-N 2.98Å; Q378-F382 VanDerWaalsContact O-CB 3.32Å; Q378-F382 WeakPolarHBondContact O-CB 3.34Å; Q378-F382 PolarHBondContact O-N 3.43Å; Q378-L403 HydrophobicContact CG-CD2 4.38Å; Q378-N404 HydrophobicContact CB-CB 3.98Å; Q378-N404 WeakPolarHBondContact CB-ND2 3.4Å |
| 379 | C | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 112 | L295 T375 S376 L377 S383 N404 | L295-C379 HydrophobicContact CD1-CB 4.21Å; L295-C379 HydrophobicContact CD2-CB 4.34Å; L295-C379 HydrophobicContact CG-CB 4.06Å; T375-C379 WeakPolarHBondContact O-CB 3.39Å; T375-C379 PolarHBondContact O-N 3.17Å; S376-C379 WeakPolarHBondContact O-CB 3.43Å; S376-C379 PolarHBondContact O-N 3.27Å; L377-C379 VanDerWaalsContact C-N 3.3Å; L377-C379 PolarHBondContact O-N 2.93Å; C379-S383 VanDerWaalsContact O-CB 3.28Å; C379-S383 WeakPolarHBondContact O-CB 3.22Å; C379-S383 PolarHBondContact O-N 3.14Å; C379-S383 PolarHBondContact O-OG 3.38Å; C379-N404 WeakPolarHBondContact CA-OD1 3.3Å; C379-N404 VanDerWaalsContact CB-OD1 3.22Å; C379-N404 WeakPolarHBondContact CB-OD1 3.32Å; C379-N404 PolarHBondContact N-ND2 2.87Å |
| 380 | L | 96.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 176.9 | -178.1 | 65.1 | 0 | 0 | 0 | 111 | S376 L377 Q378 S383 I384 T466 S469 V470 F473 | S376-L380 PolarHBondContact O-N 3.02Å; L377-L380 PolarHBondContact O-N 3.12Å; Q378-L380 VanDerWaalsContact C-N 3.35Å; Q378-L380 PolarHBondContact O-N 3.48Å; L380-S383 PolarHBondContact O-N 3.14Å; L380-S383 VanDerWaalsContact O-N 3.13Å; L380-I384 HydrophobicContact CD1-CD1 4.24Å; L380-I384 HydrophobicContact CG-CD1 3.99Å; L380-I384 VanDerWaalsContact O-CG1 3.32Å; L380-I384 WeakPolarHBondContact O-CG1 3.35Å; L380-I384 PolarHBondContact O-N 3.19Å; L380-T466 HydrophobicContact CD1-CG2 4.43Å; L380-S469 WeakPolarHBondContact CD1-OG 3.4Å; L380-V470 HydrophobicContact CD1-CG2 4.38Å; L380-F473 HydrophobicContact CB-CE2 4.48Å; L380-F473 HydrophobicContact CD2-CE2 4.17Å; L380-F473 HydrophobicContact CD2-CZ 4.39Å |
| 381 | F | 96.6 | Very high | 94.1 | Very high | 107 Ų | 107 | 35.3 Ų | 35.3 | 47% | 0.469 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62 | -45.7 | 177 | -72.5 | -52.8 | 0 | 0 | 0 | 112.5 | L377 Q378 S383 I384 C385 L400 | L377-F381 HydrophobicContact CD1-CD2 4.18Å; L377-F381 HydrophobicContact CD1-CE2 3.56Å; L377-F381 HydrophobicContact CD1-CZ 3.98Å; L377-F381 HydrophobicContact CD2-CE2 4.07Å; L377-F381 HydrophobicContact CG-CD2 3.98Å; L377-F381 HydrophobicContact CG-CE2 3.54Å; L377-F381 HydrophobicContact CG-CZ 4.43Å; L377-F381 VanDerWaalsContact O-CD2 3.25Å; L377-F381 WeakPolarHBondContact O-CD2 3.11Å; L377-F381 PolarHBondContact O-N 2.6Å; Q378-F381 PolarHBondContact O-N 2.98Å; F381-S383 PolarHBondContact O-N 3.02Å; F381-I384 PolarHBondContact O-N 2.82Å; F381-C385 WeakPolarHBondContact O-CB 3.35Å; F381-C385 PolarHBondContact O-N 3.3Å; F381-C385 PolarHBondContact O-SG 3.13Å; F381-C385 VanDerWaalsContact O-SG 3.36Å; F381-L400 HydrophobicContact CB-CD1 4.18Å |
| 382 | F | 96 | Very high | 94 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.2 | -44.4 | 171.7 | 158.5 | -126 | 0 | 0 | 0 | 111.5 | R298 F302 Q378 C385 A386 T397 L400 Q401 | R298-F382 HydrophobicContact CG-CD1 4.31Å; R298-F382 HydrophobicContact CG-CE1 3.75Å; F302-F382 HydrophobicContact CB-CE2 4.5Å; F302-F382 HydrophobicContact CB-CZ 3.81Å; F302-F382 HydrophobicContact CD1-CE2 4.05Å; F302-F382 HydrophobicContact CD1-CZ 4.02Å; F302-F382 AromaticContact CD2-CE2 3.93Å; F302-F382 HydrophobicContact CD2-CE2 3.93Å; F302-F382 HydrophobicContact CD2-CZ 4.05Å; F302-F382 HydrophobicContact CE1-CE2 4.22Å; F302-F382 HydrophobicContact CE2-CE2 4.11Å; F302-F382 AromaticContact CG-CE2 3.89Å; F302-F382 HydrophobicContact CG-CE2 3.89Å; F302-F382 AromaticContact CG-CZ 3.68Å; F302-F382 HydrophobicContact CG-CZ 3.68Å; F302-F382 HydrophobicContact CZ-CE2 4.24Å; Q378-F382 VanDerWaalsContact O-CB 3.32Å; Q378-F382 WeakPolarHBondContact O-CB 3.34Å; Q378-F382 PolarHBondContact O-N 3.43Å; F382-C385 PolarHBondContact O-N 3Å; F382-A386 HydrophobicContact CE2-CB 4.34Å; F382-A386 PolarHBondContact O-N 2.97Å; F382-T397 HydrophobicContact CD2-CG2 3.85Å; F382-T397 HydrophobicContact CE2-CG2 3.89Å; F382-L400 HydrophobicContact CB-CB 4.02Å; F382-Q401 HydrophobicContact CD2-CB 3.71Å; F382-Q401 HydrophobicContact CD2-CG 4.21Å; F382-Q401 HydrophobicContact CE1-CG 4.2Å; F382-Q401 HydrophobicContact CE2-CB 3.58Å; F382-Q401 HydrophobicContact CE2-CG 3.63Å; F382-Q401 HydrophobicContact CG-CB 4.36Å; F382-Q401 HydrophobicContact CZ-CB 4.07Å; F382-Q401 HydrophobicContact CZ-CG 3.61Å |
| 383 | S | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -48.5 | -178.1 | -62 | 0 | 0 | 0 | 0 | 111.9 | R298 C379 L380 F381 C385 A386 T387 T466 | R298-S383 PolarHBondContact NE-OG 3.47Å; R298-S383 VanDerWaalsContact NE-OG 3.11Å; C379-S383 VanDerWaalsContact O-CB 3.28Å; C379-S383 WeakPolarHBondContact O-CB 3.22Å; C379-S383 PolarHBondContact O-N 3.14Å; C379-S383 PolarHBondContact O-OG 3.38Å; L380-S383 PolarHBondContact O-N 3.14Å; L380-S383 VanDerWaalsContact O-N 3.13Å; F381-S383 PolarHBondContact O-N 3.02Å; S383-C385 PolarHBondContact O-N 3.19Å; S383-A386 PolarHBondContact O-N 2.91Å; S383-T387 PolarHBondContact O-N 3.18Å; S383-T387 VanDerWaalsContact O-N 3.1Å; S383-T387 PolarHBondContact O-OG1 3.39Å; S383-T466 WeakPolarHBondContact CB-OG1 3.47Å |
| 384 | I | 94.8 | Very high | 93.8 | Very high | 72 Ų | 72 | 36.9 Ų | 36.9 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.2 | -49 | 176.4 | -66.3 | 165.8 | 0 | 0 | 0 | 110.9 | L380 F381 A386 T387 I388 T466 | L380-I384 HydrophobicContact CD1-CD1 4.24Å; L380-I384 HydrophobicContact CG-CD1 3.99Å; L380-I384 VanDerWaalsContact O-CG1 3.32Å; L380-I384 WeakPolarHBondContact O-CG1 3.35Å; L380-I384 PolarHBondContact O-N 3.19Å; F381-I384 PolarHBondContact O-N 2.82Å; I384-A386 VanDerWaalsContact C-N 3.32Å; I384-A386 PolarHBondContact O-N 3.46Å; I384-T387 PolarHBondContact O-N 3.3Å; I384-I388 HydrophobicContact CG2-CD1 4.42Å; I384-T466 HydrophobicContact CG1-CG2 3.97Å |
| 385 | C | 94.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 14% | 0.142 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | -179.6 | -71 | 0 | 0 | 0 | 0 | 112.3 | F381 F382 S383 I388 T397 L400 | F381-C385 WeakPolarHBondContact O-CB 3.35Å; F381-C385 PolarHBondContact O-N 3.3Å; F381-C385 PolarHBondContact O-SG 3.13Å; F381-C385 VanDerWaalsContact O-SG 3.36Å; F382-C385 PolarHBondContact O-N 3Å; S383-C385 PolarHBondContact O-N 3.19Å; C385-I388 PolarHBondContact O-N 3.47Å; C385-T397 WeakPolarHBondContact CB-OG1 2.87Å; C385-L400 HydrophobicContact CB-CD1 4.41Å |
| 386 | A | 90.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.2 | -24.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | F302 R309 F382 S383 I384 I388 T397 | F302-A386 HydrophobicContact CD2-CB 4.15Å; F302-A386 HydrophobicContact CE2-CB 3.94Å; R309-A386 PolarHBondContact NH1-O 3.07Å; F382-A386 HydrophobicContact CE2-CB 4.34Å; F382-A386 PolarHBondContact O-N 2.97Å; S383-A386 PolarHBondContact O-N 2.91Å; I384-A386 VanDerWaalsContact C-N 3.32Å; I384-A386 PolarHBondContact O-N 3.46Å; A386-I388 PolarHBondContact O-N 2.69Å; A386-T397 HydrophobicContact CB-CG2 3.56Å |
| 387 | T | 90.9 | Very high | 93.6 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 14% | 0.135 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.4 | -26.7 | 174.6 | -54 | 0 | 0 | 0 | 0 | 111.9 | S383 I384 P389 F459 D462 I463 T466 | S383-T387 PolarHBondContact O-N 3.18Å; S383-T387 VanDerWaalsContact O-N 3.1Å; S383-T387 PolarHBondContact O-OG1 3.39Å; I384-T387 PolarHBondContact O-N 3.3Å; T387-P389 WeakPolarHBondContact O-CD 3.19Å; T387-F459 HydrophobicContact CG2-CD2 4.13Å; T387-F459 HydrophobicContact CG2-CE2 4.1Å; T387-D462 HydrophobicContact CG2-CB 4.15Å; T387-I463 HydrophobicContact CG2-CG1 3.72Å; T387-T466 PolarHBondContact OG1-OG1 2.92Å |
| 388 | I | 90.8 | Very high | 93.5 | Very high | 70 Ų | 70 | 40 Ų | 40 | 36% | 0.359 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -79.2 | 117.9 | -178.3 | -62.5 | 165.2 | 0 | 0 | 0 | 109.4 | I384 C385 A386 V390 L393 Q394 | I384-I388 HydrophobicContact CG2-CD1 4.42Å; C385-I388 PolarHBondContact O-N 3.47Å; A386-I388 PolarHBondContact O-N 2.69Å; I388-V390 HydrophobicContact CG2-CB 4.09Å; I388-V390 HydrophobicContact CG2-CG2 3.67Å; I388-V390 PolarHBondContact O-N 3.13Å; I388-L393 HydrophobicContact CB-CD2 3.58Å; I388-L393 HydrophobicContact CD1-CD2 3.94Å; I388-L393 HydrophobicContact CG1-CD2 4.36Å; I388-L393 HydrophobicContact CG2-CD2 3.56Å; I388-Q394 PolarHBondContact O-NE2 3.33Å |
| 389 | P | 87.4 | Confident | 93.5 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 57% | 0.565 | 23% | 0.233 | S | C | * | . | trans | -81.5 | 53.7 | -173.4 | 35 | -37.2 | 0 | 0 | 0 | 112.4 | T387 | T387-P389 WeakPolarHBondContact O-CD 3.19Š| ||
| 390 | V | 90 | Very high | 93.4 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 42% | 0.418 | 24% | 0.241 | S | C | . | . | trans | -113.3 | 123.3 | 179.8 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | I388 L393 Q394 | I388-V390 HydrophobicContact CG2-CB 4.09Å; I388-V390 HydrophobicContact CG2-CG2 3.67Å; I388-V390 PolarHBondContact O-N 3.13Å; V390-L393 HydrophobicContact CB-CB 3.94Å; V390-L393 HydrophobicContact CG1-CB 3.97Å; V390-L393 WeakPolarHBondContact O-CB 3.29Å; V390-L393 PolarHBondContact O-N 3.1Å; V390-Q394 PolarHBondContact O-NE2 3.34Å | ||
| 391 | L | 88.1 | Confident | 93.3 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -48.9 | -173.3 | -173.1 | 74.3 | 0 | 0 | 0 | 112.2 | L310 L313 Y324 L393 Q394 | L310-L391 HydrophobicContact CD2-CD1 4.16Å; L313-L391 HydrophobicContact CB-CB 4.35Å; L313-L391 HydrophobicContact CB-CD1 3.7Å; L313-L391 HydrophobicContact CD2-CB 4.22Å; L313-L391 HydrophobicContact CD2-CD1 4.31Å; Y324-L391 HydrophobicContact CD1-CD1 4.39Å; Y324-L391 HydrophobicContact CD2-CD1 4.26Å; Y324-L391 HydrophobicContact CD2-CG 4.43Å; Y324-L391 HydrophobicContact CE1-CD1 4.22Å; Y324-L391 HydrophobicContact CE1-CG 4.06Å; Y324-L391 VanDerWaalsContact CE1-O 3.23Å; Y324-L391 WeakPolarHBondContact CE1-O 3.46Å; Y324-L391 HydrophobicContact CE2-CD1 4.09Å; Y324-L391 HydrophobicContact CE2-CD2 3.78Å; Y324-L391 HydrophobicContact CE2-CG 3.77Å; Y324-L391 HydrophobicContact CG-CD1 4.42Å; L391-L393 PolarHBondContact O-N 2.69Å; L391-Q394 VanDerWaalsContact O-CB 3.3Å; L391-Q394 WeakPolarHBondContact O-CB 3.27Å; L391-Q394 WeakPolarHBondContact O-CG 3.37Å; L391-Q394 PolarHBondContact O-N 3.3Å |
| 392 | P | 92.4 | Very high | 93.2 | Very high | 86 Ų | 86 | 38.6 Ų | 38.6 | 56% | 0.558 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.1 | 175.6 | -26.6 | 35.1 | 0 | 0 | 0 | 114.9 | Q394 Y395 | P392-Q394 PolarHBondContact O-N 3.37Å; P392-Y395 PolarHBondContact O-N 2.91Å |
| 393 | L | 93.6 | Very high | 93.1 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 19% | 0.194 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.1 | 178.1 | -176.7 | 63.2 | 0 | 0 | 0 | 112.2 | I388 V390 L391 Y395 I396 T397 | I388-L393 HydrophobicContact CB-CD2 3.58Å; I388-L393 HydrophobicContact CD1-CD2 3.94Å; I388-L393 HydrophobicContact CG1-CD2 4.36Å; I388-L393 HydrophobicContact CG2-CD2 3.56Å; V390-L393 HydrophobicContact CB-CB 3.94Å; V390-L393 HydrophobicContact CG1-CB 3.97Å; V390-L393 WeakPolarHBondContact O-CB 3.29Å; V390-L393 PolarHBondContact O-N 3.1Å; L391-L393 PolarHBondContact O-N 2.69Å; L393-Y395 VanDerWaalsContact C-N 3.26Å; L393-Y395 PolarHBondContact O-N 3.33Å; L393-I396 HydrophobicContact CD1-CB 4.34Å; L393-I396 HydrophobicContact CD1-CD1 4.18Å; L393-I396 PolarHBondContact O-N 3.13Å; L393-I396 VanDerWaalsContact O-N 3.16Å; L393-T397 PolarHBondContact O-N 3.44Å; L393-T397 PolarHBondContact O-OG1 3.27Å; L393-T397 VanDerWaalsContact O-OG1 3.06Å |
| 394 | Q | 93.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -29.2 | -179.7 | -58.3 | -49.7 | -56 | 0 | 0 | 112.4 | L313 Y324 I388 V390 L391 P392 I396 T397 F398 | L313-Q394 HydrophobicContact CD2-CG 4.31Å; Y324-Q394 HydrophobicContact CD1-CB 4.23Å; Y324-Q394 HydrophobicContact CE1-CB 4.27Å; I388-Q394 PolarHBondContact O-NE2 3.33Å; V390-Q394 PolarHBondContact O-NE2 3.34Å; L391-Q394 VanDerWaalsContact O-CB 3.3Å; L391-Q394 WeakPolarHBondContact O-CB 3.27Å; L391-Q394 WeakPolarHBondContact O-CG 3.37Å; L391-Q394 PolarHBondContact O-N 3.3Å; P392-Q394 PolarHBondContact O-N 3.37Å; Q394-I396 VanDerWaalsContact C-N 3.33Å; Q394-I396 PolarHBondContact O-N 2.86Å; Q394-T397 CarbonylContact O-C 3.58Å; Q394-T397 WeakPolarHBondContact O-CA 3.45Å; Q394-T397 WeakPolarHBondContact O-CB 3.21Å; Q394-T397 PolarHBondContact O-N 3.29Å; Q394-T397 VanDerWaalsContact O-N 3.13Å; Q394-F398 HydrophobicContact CB-CE1 3.95Å; Q394-F398 HydrophobicContact CB-CE2 4.28Å; Q394-F398 HydrophobicContact CB-CZ 3.74Å; Q394-F398 WeakPolarHBondContact O-CD1 3.48Å; Q394-F398 WeakPolarHBondContact O-CD2 3.38Å; Q394-F398 WeakPolarHBondContact O-CG 3.48Å; Q394-F398 PolarHBondContact O-N 2.78Å |
| 395 | Y | 94.6 | Very high | 93.2 | Very high | 82 Ų | 82 | 36.9 Ų | 36.9 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.3 | -44.7 | 172.8 | -72.3 | -71.2 | 0 | 0 | 0 | 112.3 | Y324 A327 P392 L393 T397 F398 I399 | Y324-Y395 HydrophobicContact CD1-CE2 4.22Å; Y324-Y395 AromaticContact CE1-CD2 3.75Å; Y324-Y395 HydrophobicContact CE1-CD2 3.75Å; Y324-Y395 HydrophobicContact CE1-CE1 4.39Å; Y324-Y395 AromaticContact CE1-CE2 3.35Å; Y324-Y395 HydrophobicContact CE1-CE2 3.35Å; Y324-Y395 HydrophobicContact CE1-CG 4.4Å; Y324-Y395 AromaticContact CE1-CZ 3.71Å; Y324-Y395 HydrophobicContact CE2-CE2 4.38Å; Y324-Y395 AromaticContact CZ-CE2 3.45Å; Y324-Y395 VanDerWaalsContact CZ-CE2 3.45Å; Y324-Y395 AromaticContact CZ-CZ 3.86Å; Y324-Y395 WeakPolarHBondContact OH-CE2 3.44Å; A327-Y395 HydrophobicContact CB-CD1 3.99Å; A327-Y395 HydrophobicContact CB-CE1 3.46Å; A327-Y395 VanDerWaalsContact CB-CE1 3.46Å; P392-Y395 PolarHBondContact O-N 2.91Å; L393-Y395 VanDerWaalsContact C-N 3.26Å; L393-Y395 PolarHBondContact O-N 3.33Å; Y395-T397 VanDerWaalsContact C-N 3.34Å; Y395-F398 PolarHBondContact O-N 2.99Å; Y395-I399 WeakPolarHBondContact O-CG1 3.29Å; Y395-I399 PolarHBondContact O-N 3.13Å; Y395-I399 VanDerWaalsContact O-N 3.17Å |
| 396 | I | 95.6 | Very high | 93.1 | Very high | 90 Ų | 90 | 35.9 Ų | 35.9 | 46% | 0.462 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 176 | -65.1 | 172.7 | 0 | 0 | 0 | 110 | L393 Q394 F398 I399 L400 | L393-I396 HydrophobicContact CD1-CB 4.34Å; L393-I396 HydrophobicContact CD1-CD1 4.18Å; L393-I396 PolarHBondContact O-N 3.13Å; L393-I396 VanDerWaalsContact O-N 3.16Å; Q394-I396 VanDerWaalsContact C-N 3.33Å; Q394-I396 PolarHBondContact O-N 2.86Å; I396-F398 VanDerWaalsContact C-N 3.28Å; I396-F398 PolarHBondContact O-N 3.04Å; I396-I399 PolarHBondContact O-N 3.23Å; I396-L400 HydrophobicContact CG2-CD1 3.85Å; I396-L400 HydrophobicContact CG2-CG 4.22Å; I396-L400 WeakPolarHBondContact O-CB 3.5Å; I396-L400 WeakPolarHBondContact O-CG 3.21Å; I396-L400 PolarHBondContact O-N 3.24Å |
| 397 | T | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58 | -41.6 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | F302 F382 C385 A386 L393 Q394 Y395 L400 Q401 | F302-T397 HydrophobicContact CE2-CG2 3.79Å; F302-T397 HydrophobicContact CZ-CG2 3.73Å; F382-T397 HydrophobicContact CD2-CG2 3.85Å; F382-T397 HydrophobicContact CE2-CG2 3.89Å; C385-T397 WeakPolarHBondContact CB-OG1 2.87Å; A386-T397 HydrophobicContact CB-CG2 3.56Å; L393-T397 PolarHBondContact O-N 3.44Å; L393-T397 PolarHBondContact O-OG1 3.27Å; L393-T397 VanDerWaalsContact O-OG1 3.06Å; Q394-T397 CarbonylContact O-C 3.58Å; Q394-T397 WeakPolarHBondContact O-CA 3.45Å; Q394-T397 WeakPolarHBondContact O-CB 3.21Å; Q394-T397 PolarHBondContact O-N 3.29Å; Q394-T397 VanDerWaalsContact O-N 3.13Å; Y395-T397 VanDerWaalsContact C-N 3.34Å; T397-L400 PolarHBondContact O-N 2.93Å; T397-Q401 WeakPolarHBondContact O-CB 3.36Å; T397-Q401 PolarHBondContact O-N 3.49Å |
| 398 | F | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 177 | -57.5 | -20.3 | 0 | 0 | 0 | 112 | F302 L306 L310 Y324 F328 T331 Q394 Y395 I396 L400 Q401 V402 | F302-F398 HydrophobicContact CE1-CD1 4.16Å; F302-F398 HydrophobicContact CE1-CE1 4.41Å; F302-F398 AromaticContact CZ-CD1 3.89Å; F302-F398 HydrophobicContact CZ-CD1 3.89Å; F302-F398 AromaticContact CZ-CE1 3.91Å; F302-F398 HydrophobicContact CZ-CE1 3.91Å; L306-F398 HydrophobicContact CD1-CE1 3.7Å; L306-F398 HydrophobicContact CD1-CZ 4.18Å; L310-F398 HydrophobicContact CD2-CZ 4.31Å; Y324-F398 AromaticContact CD1-CE2 3.98Å; Y324-F398 HydrophobicContact CD1-CE2 3.98Å; Y324-F398 HydrophobicContact CD1-CZ 4.25Å; Y324-F398 WeakPolarHBondContact O-CE2 3.37Å; F328-F398 HydrophobicContact CB-CD1 4.3Å; F328-F398 HydrophobicContact CB-CD2 3.91Å; F328-F398 HydrophobicContact CB-CE1 4.34Å; F328-F398 HydrophobicContact CB-CE2 3.94Å; F328-F398 HydrophobicContact CB-CG 4.1Å; F328-F398 HydrophobicContact CB-CZ 4.16Å; F328-F398 HydrophobicContact CD2-CB 3.95Å; F328-F398 AromaticContact CD2-CD1 3.6Å; F328-F398 HydrophobicContact CD2-CD1 3.6Å; F328-F398 HydrophobicContact CD2-CD2 4.4Å; F328-F398 HydrophobicContact CD2-CE1 4.2Å; F328-F398 AromaticContact CD2-CG 3.73Å; F328-F398 HydrophobicContact CD2-CG 3.73Å; F328-F398 HydrophobicContact CE2-CD1 4.36Å; F328-F398 HydrophobicContact CG-CD1 4.31Å; F328-F398 HydrophobicContact CG-CG 4.4Å; T331-F398 HydrophobicContact CG2-CB 4.14Å; Q394-F398 HydrophobicContact CB-CE1 3.95Å; Q394-F398 HydrophobicContact CB-CE2 4.28Å; Q394-F398 HydrophobicContact CB-CZ 3.74Å; Q394-F398 WeakPolarHBondContact O-CD1 3.48Å; Q394-F398 WeakPolarHBondContact O-CD2 3.38Å; Q394-F398 WeakPolarHBondContact O-CG 3.48Å; Q394-F398 PolarHBondContact O-N 2.78Å; Y395-F398 PolarHBondContact O-N 2.99Å; I396-F398 VanDerWaalsContact C-N 3.28Å; I396-F398 PolarHBondContact O-N 3.04Å; F398-L400 PolarHBondContact O-N 3.36Å; F398-Q401 PolarHBondContact O-N 3.26Å; F398-V402 WeakPolarHBondContact O-CG2 3.2Å; F398-V402 PolarHBondContact O-N 2.75Å |
| 399 | I | 95.4 | Very high | 93.6 | Very high | 100 Ų | 100 | 32.5 Ų | 32.5 | 51% | 0.513 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 177.4 | -66.4 | 165.8 | 0 | 0 | 0 | 110.6 | T331 Y395 I396 Q401 V402 L403 | T331-I399 HydrophobicContact CG2-CG1 4.1Å; Y395-I399 WeakPolarHBondContact O-CG1 3.29Å; Y395-I399 PolarHBondContact O-N 3.13Å; Y395-I399 VanDerWaalsContact O-N 3.17Å; I396-I399 PolarHBondContact O-N 3.23Å; I399-Q401 VanDerWaalsContact C-N 3.32Å; I399-Q401 PolarHBondContact O-N 2.83Å; I399-V402 PolarHBondContact O-N 3.37Å; I399-L403 VanDerWaalsContact O-CB 3.31Å; I399-L403 WeakPolarHBondContact O-CB 3.39Å; I399-L403 PolarHBondContact O-N 2.93Å |
| 400 | L | 95.7 | Very high | 93.8 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 178.5 | -70.7 | 174.1 | 0 | 0 | 0 | 111.8 | F381 F382 C385 I396 T397 F398 N404 | F381-L400 HydrophobicContact CB-CD1 4.18Å; F382-L400 HydrophobicContact CB-CB 4.02Å; C385-L400 HydrophobicContact CB-CD1 4.41Å; I396-L400 HydrophobicContact CG2-CD1 3.85Å; I396-L400 HydrophobicContact CG2-CG 4.22Å; I396-L400 WeakPolarHBondContact O-CB 3.5Å; I396-L400 WeakPolarHBondContact O-CG 3.21Å; I396-L400 PolarHBondContact O-N 3.24Å; T397-L400 PolarHBondContact O-N 2.93Å; F398-L400 PolarHBondContact O-N 3.36Å; L400-N404 WeakPolarHBondContact O-CB 3.16Å; L400-N404 PolarHBondContact O-N 3.11Å |
| 401 | Q | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 177.2 | -171.6 | -86.5 | -13.7 | 0 | 0 | 111.5 | F302 F382 T397 F398 I399 N404 R405 | F302-Q401 HydrophobicContact CD1-CG 3.87Å; F302-Q401 HydrophobicContact CE1-CB 4.4Å; F302-Q401 HydrophobicContact CE1-CG 4.08Å; F382-Q401 HydrophobicContact CD2-CB 3.71Å; F382-Q401 HydrophobicContact CD2-CG 4.21Å; F382-Q401 HydrophobicContact CE1-CG 4.2Å; F382-Q401 HydrophobicContact CE2-CB 3.58Å; F382-Q401 HydrophobicContact CE2-CG 3.63Å; F382-Q401 HydrophobicContact CG-CB 4.36Å; F382-Q401 HydrophobicContact CZ-CB 4.07Å; F382-Q401 HydrophobicContact CZ-CG 3.61Å; T397-Q401 WeakPolarHBondContact O-CB 3.36Å; T397-Q401 PolarHBondContact O-N 3.49Å; F398-Q401 PolarHBondContact O-N 3.26Å; I399-Q401 VanDerWaalsContact C-N 3.32Å; I399-Q401 PolarHBondContact O-N 2.83Å; Q401-N404 PolarHBondContact O-N 2.79Å; Q401-R405 WeakPolarHBondContact O-CB 3.46Å; Q401-R405 PolarHBondContact O-N 2.97Å |
| 402 | V | 93.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.5 | -42.1 | -179.2 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | T331 Q332 F398 I399 N404 R405 S406 | T331-V402 WeakPolarHBondContact O-CG1 3.46Å; Q332-V402 HydrophobicContact CB-CG2 4.41Å; Q332-V402 HydrophobicContact CG-CG2 4Å; F398-V402 WeakPolarHBondContact O-CG2 3.2Å; F398-V402 PolarHBondContact O-N 2.75Å; I399-V402 PolarHBondContact O-N 3.37Å; V402-N404 VanDerWaalsContact C-N 3.32Å; V402-N404 PolarHBondContact O-N 2.83Å; V402-R405 PolarHBondContact O-N 3.46Å; V402-S406 WeakPolarHBondContact O-CB 2.96Å; V402-S406 PolarHBondContact O-N 3.17Å; V402-S406 PolarHBondContact O-OG 3.47Å |
| 403 | L | 94.8 | Very high | 94.3 | Very high | 32 Ų | 32 | 19.7 Ų | 19.7 | 17% | 0.168 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 175.4 | 178 | 61.3 | 0 | 0 | 0 | 110.6 | C338 W341 Q378 I399 S406 F407 | C338-L403 HydrophobicContact CB-CD1 3.82Å; W341-L403 HydrophobicContact CE3-CD1 3.99Å; W341-L403 HydrophobicContact CZ3-CD1 3.99Å; Q378-L403 HydrophobicContact CG-CD2 4.38Å; I399-L403 VanDerWaalsContact O-CB 3.31Å; I399-L403 WeakPolarHBondContact O-CB 3.39Å; I399-L403 PolarHBondContact O-N 2.93Å; L403-S406 PolarHBondContact O-N 3.5Å; L403-F407 HydrophobicContact CD1-CD2 4.09Å; L403-F407 HydrophobicContact CD1-CE2 3.72Å; L403-F407 VanDerWaalsContact O-CD2 3.29Å; L403-F407 WeakPolarHBondContact O-CD2 3.25Å; L403-F407 PolarHBondContact O-N 3.37Å |
| 404 | N | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | -179.6 | -171 | -133.1 | 0 | 0 | 0 | 112.7 | H299 T375 Q378 C379 L400 Q401 V402 S406 F407 L408 | H299-N404 PolarHBondContact CE1-OD1 3.39Å; H299-N404 PolarHBondContact NE2-OD1 2.77Å; T375-N404 PolarHBondContact O-ND2 3.49Å; Q378-N404 HydrophobicContact CB-CB 3.98Å; Q378-N404 WeakPolarHBondContact CB-ND2 3.4Å; C379-N404 WeakPolarHBondContact CA-OD1 3.3Å; C379-N404 VanDerWaalsContact CB-OD1 3.22Å; C379-N404 WeakPolarHBondContact CB-OD1 3.32Å; C379-N404 PolarHBondContact N-ND2 2.87Å; L400-N404 WeakPolarHBondContact O-CB 3.16Å; L400-N404 PolarHBondContact O-N 3.11Å; Q401-N404 PolarHBondContact O-N 2.79Å; V402-N404 VanDerWaalsContact C-N 3.32Å; V402-N404 PolarHBondContact O-N 2.83Å; N404-S406 VanDerWaalsContact C-N 3.32Å; N404-S406 PolarHBondContact O-N 2.85Å; N404-F407 PolarHBondContact O-N 3.36Å; N404-L408 WeakPolarHBondContact O-CB 3.38Å; N404-L408 PolarHBondContact O-N 3.06Å |
| 405 | R | 94 | Very high | 94.3 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 177.2 | -171.9 | -177.5 | 162.4 | -164.2 | -5.5 | 111.9 | F31 D169 H299 Q401 V402 F407 L408 Y409 | F31-R405 VanDerWaalsContact CB-NH2 3.34Å; F31-R405 VanDerWaalsContact CG-NH2 3.29Å; D169-R405 IonicContact OD1-CZ 3.73Å; D169-R405 IonicContact OD1-NE 3.09Å; D169-R405 PolarHBondContact OD1-NE 2.97Å; D169-R405 IonicContact OD1-NH2 2.74Å; D169-R405 PolarHBondContact OD1-NH2 3.23Å; D169-R405 IonicContact OD2-NE 3.79Å; H299-R405 PolarHBondContact NE2-N 2.74Å; Q401-R405 WeakPolarHBondContact O-CB 3.46Å; Q401-R405 PolarHBondContact O-N 2.97Å; V402-R405 PolarHBondContact O-N 3.46Å; R405-F407 VanDerWaalsContact C-N 3.3Å; R405-F407 PolarHBondContact O-N 3.3Å; R405-L408 WeakPolarHBondContact O-CB 3.33Å; R405-L408 PolarHBondContact O-N 3.06Å; R405-Y409 HydrophobicContact CG-CD2 3.77Å; R405-Y409 HydrophobicContact CG-CE2 3.62Å; R405-Y409 PolarHBondContact O-N 2.91Å; R405-Y409 VanDerWaalsContact O-N 3.16Å |
| 406 | S | 92.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 178.6 | -57.8 | 0 | 0 | 0 | 0 | 112 | G335 V402 L403 N404 | G335-S406 WeakPolarHBondContact CA-OG 3.32Å; G335-S406 PolarHBondContact O-OG 3.41Å; V402-S406 WeakPolarHBondContact O-CB 2.96Å; V402-S406 PolarHBondContact O-N 3.17Å; V402-S406 PolarHBondContact O-OG 3.47Å; L403-S406 PolarHBondContact O-N 3.5Å; N404-S406 VanDerWaalsContact C-N 3.32Å; N404-S406 PolarHBondContact O-N 2.85Å |
| 407 | F | 94.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 10.2 Ų | 10.2 | 3% | 0.026 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -73 | -38.4 | 176 | -86.8 | -124.1 | 0 | 0 | 0 | 111.9 | C338 W341 N342 I345 T375 L403 N404 R405 G411 | C338-F407 WeakPolarHBondContact O-CE2 3.18Å; W341-F407 HydrophobicContact CB-CE2 4.1Å; W341-F407 HydrophobicContact CB-CZ 3.88Å; N342-F407 HydrophobicContact CB-CB 4.41Å; N342-F407 HydrophobicContact CB-CD1 3.65Å; N342-F407 HydrophobicContact CB-CD2 3.88Å; N342-F407 HydrophobicContact CB-CE1 3.75Å; N342-F407 HydrophobicContact CB-CE2 3.97Å; N342-F407 HydrophobicContact CB-CG 3.72Å; N342-F407 HydrophobicContact CB-CZ 3.9Å; N342-F407 PolarHBondContact ND2-O 3.04Å; N342-F407 VanDerWaalsContact ND2-O 3.15Å; N342-F407 VanDerWaalsContact OD1-CD1 3.28Å; N342-F407 WeakPolarHBondContact OD1-CD1 3.07Å; I345-F407 HydrophobicContact CD1-CE1 4.15Å; T375-F407 HydrophobicContact CG2-CB 3.93Å; L403-F407 HydrophobicContact CD1-CD2 4.09Å; L403-F407 HydrophobicContact CD1-CE2 3.72Å; L403-F407 VanDerWaalsContact O-CD2 3.29Å; L403-F407 WeakPolarHBondContact O-CD2 3.25Å; L403-F407 PolarHBondContact O-N 3.37Å; N404-F407 PolarHBondContact O-N 3.36Å; R405-F407 VanDerWaalsContact C-N 3.3Å; R405-F407 PolarHBondContact O-N 3.3Å; F407-G411 WeakPolarHBondContact O-CA 3.39Å; F407-G411 PolarHBondContact O-N 3.2Å |
| 408 | L | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61 | -60.5 | -178.8 | 173.5 | 58.8 | 0 | 0 | 0 | 112.5 | W291 L292 L295 T375 N404 R405 N412 | W291-L408 HydrophobicContact CE3-CD1 4.23Å; W291-L408 HydrophobicContact CH2-CD1 3.37Å; W291-L408 HydrophobicContact CZ2-CD1 4.16Å; W291-L408 HydrophobicContact CZ3-CD1 3.41Å; W291-L408 VanDerWaalsContact CZ3-CD1 3.41Å; L292-L408 HydrophobicContact CD1-CD1 3.68Å; L292-L408 HydrophobicContact CD1-CG 4.28Å; L295-L408 HydrophobicContact CB-CD1 3.75Å; L295-L408 HydrophobicContact CB-CD2 3.82Å; L295-L408 HydrophobicContact CB-CG 4.4Å; L295-L408 HydrophobicContact CD2-CD1 3.67Å; L295-L408 HydrophobicContact CG-CD1 4.31Å; T375-L408 HydrophobicContact CG2-CB 4.28Å; N404-L408 WeakPolarHBondContact O-CB 3.38Å; N404-L408 PolarHBondContact O-N 3.06Å; R405-L408 WeakPolarHBondContact O-CB 3.33Å; R405-L408 PolarHBondContact O-N 3.06Å; L408-N412 VanDerWaalsContact O-CB 3.24Å; L408-N412 WeakPolarHBondContact O-CB 3.49Å; L408-N412 PolarHBondContact O-N 2.69Å |
| 409 | Y | 92.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 11.5 Ų | 11.5 | 7% | 0.071 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -74.3 | -42.4 | -172.7 | -67.1 | -64.5 | 0 | 0 | 0 | 112.1 | N165 Y300 R405 N412 A413 | N165-Y409 PolarHBondContact OD1-O 3.32Å; Y300-Y409 VanDerWaalsContact CE1-OH 3.29Å; Y300-Y409 WeakPolarHBondContact CE1-OH 3.2Å; Y300-Y409 PolarHBondContact OH-OH 3.35Å; R405-Y409 HydrophobicContact CG-CD2 3.77Å; R405-Y409 HydrophobicContact CG-CE2 3.62Å; R405-Y409 PolarHBondContact O-N 2.91Å; R405-Y409 VanDerWaalsContact O-N 3.16Å; Y409-N412 PolarHBondContact O-N 3.28Å; Y409-A413 PolarHBondContact O-N 2.84Å |
| 410 | G | 91.8 | Very high | 93 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A413 A414 | G410-A413 PolarHBondContact O-N 2.91Å; G410-A414 WeakPolarHBondContact O-CB 3.47Å; G410-A414 PolarHBondContact O-N 3.02Å |
| 411 | G | 93.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 2% | 0.021 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.4 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N342 F407 F415 | N342-G411 WeakPolarHBondContact ND2-CA 3.19Å; N342-G411 PolarHBondContact ND2-N 2.89Å; F407-G411 WeakPolarHBondContact O-CA 3.39Å; F407-G411 PolarHBondContact O-N 3.2Å; G411-F415 WeakPolarHBondContact O-CB 3.38Å; G411-F415 PolarHBondContact O-N 2.93Å |
| 412 | N | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.3 | -53.9 | 172.7 | 174.9 | 42.5 | 0 | 0 | 0 | 111.4 | H288 L292 L408 Y409 A414 F415 V416 | H288-N412 PolarHBondContact NE2-OD1 3.04Å; L292-N412 HydrophobicContact CD1-CB 4.27Å; L408-N412 VanDerWaalsContact O-CB 3.24Å; L408-N412 WeakPolarHBondContact O-CB 3.49Å; L408-N412 PolarHBondContact O-N 2.69Å; Y409-N412 PolarHBondContact O-N 3.28Å; N412-A414 PolarHBondContact O-N 3.22Å; N412-F415 PolarHBondContact O-N 3.49Å; N412-V416 VanDerWaalsContact O-CG2 3.32Å; N412-V416 WeakPolarHBondContact O-CG2 3.44Å; N412-V416 PolarHBondContact O-N 3.27Å |
| 413 | A | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I147 I161 Y409 G410 S417 Y429 | I147-A413 HydrophobicContact CD1-CB 4.08Å; I161-A413 HydrophobicContact CG2-CB 3.58Å; Y409-A413 PolarHBondContact O-N 2.84Å; G410-A413 PolarHBondContact O-N 2.91Å; A413-S417 WeakPolarHBondContact O-CB 3.42Å; A413-S417 PolarHBondContact O-N 3.48Å; A413-S417 VanDerWaalsContact O-N 3.13Å; A413-Y429 HydrophobicContact CB-CD2 4.39Å; A413-Y429 HydrophobicContact CB-CE2 3.84Å |
| 414 | A | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.5 | -43.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I161 T162 L346 G410 N412 S417 I418 | I161-A414 HydrophobicContact CG2-CB 4.36Å; T162-A414 HydrophobicContact CG2-CB 4.45Å; L346-A414 HydrophobicContact CD1-CB 3.58Å; G410-A414 WeakPolarHBondContact O-CB 3.47Å; G410-A414 PolarHBondContact O-N 3.02Å; N412-A414 PolarHBondContact O-N 3.22Å; A414-S417 CarbonylContact O-C 3.31Å; A414-S417 WeakPolarHBondContact O-CA 3.07Å; A414-S417 WeakPolarHBondContact O-CB 3.48Å; A414-S417 PolarHBondContact O-N 2.96Å; A414-S417 VanDerWaalsContact O-N 3.11Å; A414-S417 PolarHBondContact O-OG 3.27Å; A414-I418 VanDerWaalsContact O-CG1 3.31Å; A414-I418 WeakPolarHBondContact O-CG1 3.39Å; A414-I418 PolarHBondContact O-N 3.09Å |
| 415 | F | 94.2 | Very high | 90 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 177.3 | 178.4 | -99.7 | 0 | 0 | 0 | 111.7 | F284 H288 L365 L372 G411 N412 S417 I418 A419 H475 V479 | F284-F415 HydrophobicContact CD1-CZ 4.16Å; H288-F415 HydrophobicContact CB-CD1 4.43Å; H288-F415 HydrophobicContact CB-CE1 3.89Å; H288-F415 AromaticContact CD2-CD1 3.8Å; H288-F415 AromaticContact CE1-CD1 3.5Å; H288-F415 VanDerWaalsContact CE1-CD1 3.5Å; H288-F415 WeakPolarHBondContact CE1-CD1 3.49Å; H288-F415 AromaticContact CG-CD1 3.64Å; H288-F415 AromaticContact CG-CE1 3.59Å; H288-F415 AromaticContact ND1-CD1 3.45Å; H288-F415 WeakPolarHBondContact ND1-CD1 3.47Å; H288-F415 AromaticContact ND1-CE1 3.66Å; H288-F415 AromaticContact NE2-CD1 3.7Å; L365-F415 HydrophobicContact CD1-CE2 3.92Å; L372-F415 HydrophobicContact CD1-CD2 4.01Å; L372-F415 HydrophobicContact CD1-CE2 3.95Å; G411-F415 WeakPolarHBondContact O-CB 3.38Å; G411-F415 PolarHBondContact O-N 2.93Å; N412-F415 PolarHBondContact O-N 3.49Å; F415-S417 PolarHBondContact O-N 3.47Å; F415-I418 PolarHBondContact O-N 3.02Å; F415-A419 HydrophobicContact CD1-CB 4.34Å; F415-A419 HydrophobicContact CE1-CB 3.96Å; F415-A419 HydrophobicContact CE2-CB 4.17Å; F415-A419 HydrophobicContact CZ-CB 3.87Å; F415-A419 WeakPolarHBondContact O-CB 3.45Å; F415-A419 PolarHBondContact O-N 3.18Å; F415-H475 AromaticContact CE1-CE1 3.83Å; F415-H475 AromaticContact CE1-NE2 3.86Å; F415-H475 AromaticContact CZ-CE1 3.68Å; F415-H475 AromaticContact CZ-NE2 3.53Å; F415-V479 HydrophobicContact CE2-CG2 4.32Å; F415-V479 HydrophobicContact CZ-CG2 4.47Å |
| 416 | V | 92.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.018 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.2 | -36.4 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | N412 I418 F420 F425 L428 V432 | N412-V416 VanDerWaalsContact O-CG2 3.32Å; N412-V416 WeakPolarHBondContact O-CG2 3.44Å; N412-V416 PolarHBondContact O-N 3.27Å; V416-I418 VanDerWaalsContact C-N 3.3Å; V416-I418 PolarHBondContact O-N 2.76Å; V416-F420 HydrophobicContact CG1-CD2 4.21Å; V416-F420 PolarHBondContact O-N 3.15Å; V416-F425 HydrophobicContact CB-CE2 4.41Å; V416-F425 HydrophobicContact CG1-CD2 4.08Å; V416-F425 HydrophobicContact CG1-CE2 4.14Å; V416-L428 HydrophobicContact CG1-CB 4.14Å; V416-V432 HydrophobicContact CG2-CG1 4.32Å |
| 417 | S | 89.3 | Confident | 89.5 | Confident | 5 Ų | 5 | 21.5 Ų | 21.5 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.4 | -18.6 | 178 | 90.1 | 0 | 0 | 0 | 0 | 114.8 | R157 A413 A414 F415 | R157-S417 PolarHBondContact NH1-O 3.1Å; R157-S417 PolarHBondContact NH1-OG 2.89Å; R157-S417 PolarHBondContact NH2-O 3.37Å; A413-S417 WeakPolarHBondContact O-CB 3.42Å; A413-S417 PolarHBondContact O-N 3.48Å; A413-S417 VanDerWaalsContact O-N 3.13Å; A414-S417 CarbonylContact O-C 3.31Å; A414-S417 WeakPolarHBondContact O-CA 3.07Å; A414-S417 WeakPolarHBondContact O-CB 3.48Å; A414-S417 PolarHBondContact O-N 2.96Å; A414-S417 VanDerWaalsContact O-N 3.11Å; A414-S417 PolarHBondContact O-OG 3.27Å; F415-S417 PolarHBondContact O-N 3.47Å |
| 418 | I | 89.7 | Confident | 89.3 | Confident | 8 Ų | 8 | 21.3 Ų | 21.3 | 4% | 0.041 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -97.3 | -47.6 | 179 | -70.2 | 164.6 | 0 | 0 | 0 | 110.3 | L346 Q361 D364 A414 F415 V416 | L346-I418 HydrophobicContact CD2-CD1 4.18Å; Q361-I418 WeakPolarHBondContact CG-O 3.4Å; Q361-I418 PolarHBondContact NE2-O 3.08Å; D364-I418 HydrophobicContact CB-CD1 4.4Å; D364-I418 HydrophobicContact CB-CG1 4.3Å; D364-I418 HydrophobicContact CB-CG2 3.65Å; A414-I418 VanDerWaalsContact O-CG1 3.31Å; A414-I418 WeakPolarHBondContact O-CG1 3.39Å; A414-I418 PolarHBondContact O-N 3.09Å; F415-I418 PolarHBondContact O-N 3.02Å; V416-I418 VanDerWaalsContact C-N 3.3Å; V416-I418 PolarHBondContact O-N 2.76Å |
| 419 | A | 88.7 | Confident | 89.1 | Confident | 20 Ų | 20 | 21.6 Ų | 21.6 | 17% | 0.165 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -76.3 | -24.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q361 L365 F415 | Q361-A419 PolarHBondContact NE2-O 3.06Å; L365-A419 HydrophobicContact CD1-CB 4.48Å; F415-A419 HydrophobicContact CD1-CB 4.34Å; F415-A419 HydrophobicContact CE1-CB 3.96Å; F415-A419 HydrophobicContact CE2-CB 4.17Å; F415-A419 HydrophobicContact CZ-CB 3.87Å; F415-A419 WeakPolarHBondContact O-CB 3.45Å; F415-A419 PolarHBondContact O-N 3.18Å |
| 420 | F | 89.8 | Confident | 89.1 | Confident | 14 Ų | 14 | 20.7 Ų | 20.7 | 6% | 0.061 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -126.8 | 155.8 | -174.4 | -57.6 | -76.3 | 0 | 0 | 0 | 113.3 | C279 F284 F285 V416 L428 | C279-F420 HydrophobicContact CB-CD1 3.78Å; C279-F420 HydrophobicContact CB-CE1 4.04Å; F284-F420 HydrophobicContact CB-CZ 4.33Å; F285-F420 HydrophobicContact CB-CE1 4.47Å; F285-F420 HydrophobicContact CB-CZ 3.92Å; F285-F420 HydrophobicContact CD2-CZ 4.24Å; V416-F420 HydrophobicContact CG1-CD2 4.21Å; V416-F420 PolarHBondContact O-N 3.15Å; F420-L428 HydrophobicContact CB-CD1 3.43Å; F420-L428 VanDerWaalsContact CB-CD1 3.43Å; F420-L428 HydrophobicContact CD1-CD1 3.95Å; F420-L428 HydrophobicContact CD2-CD1 4.29Å; F420-L428 HydrophobicContact CG-CD1 3.64Å |
| 421 | P | 83.9 | Confident | 89.2 | Confident | 32 Ų | 32 | 21.9 Ų | 21.9 | 21% | 0.208 | 11% | 0.106 | C | C | . | . | trans | -62.4 | 137.8 | 179.9 | -19.6 | 30.1 | 0 | 0 | 0 | 113 | V273 P274 R423 H424 | V273-P421 HydrophobicContact CG1-CB 4.01Å; V273-P421 HydrophobicContact CG1-CG 4.12Å; P274-P421 HydrophobicContact CG-CG 3.58Å; P421-R423 PolarHBondContact O-N 3.32Å; P421-H424 PolarHBondContact O-N 3.24Å | ||
| 422 | S | 76.5 | Confident | 89.2 | Confident | 46 Ų | 46 | 21.9 Ų | 21.9 | 32% | 0.322 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | -54.8 | -28.8 | 179.8 | -48.2 | 0 | 0 | 0 | 0 | 114.1 | H424 F425 | S422-H424 PolarHBondContact O-N 3.3Å; S422-F425 VanDerWaalsContact O-CB 3.32Å; S422-F425 WeakPolarHBondContact O-CB 3.42Å; S422-F425 PolarHBondContact O-N 3.4Å |
| 423 | R | 79.9 | Confident | 89.2 | Confident | 189 Ų | 189 | 22 Ų | 22 | 71% | 0.713 | 11% | 0.106 | S | C | * | . | G | 310 helix | trans | -64.8 | -24.9 | 179.8 | -173.7 | 178.3 | 179.5 | -169 | -1 | 113.7 | P421 | P421-R423 PolarHBondContact O-N 3.32Š|
| 424 | H | 84.6 | Confident | 89.2 | Confident | 26 Ų | 26 | 22.2 Ų | 22.2 | 12% | 0.12 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -112.7 | 14.9 | -179.5 | -64.7 | -37.6 | 0 | 0 | 0 | 112 | F276 P421 S422 G426 K427 L428 | F276-H424 HydrophobicContact CD2-CB 4.29Å; P421-H424 PolarHBondContact O-N 3.24Å; S422-H424 PolarHBondContact O-N 3.3Å; H424-G426 PolarHBondContact O-N 3Å; H424-K427 PolarHBondContact O-N 2.79Å; H424-L428 HydrophobicContact CB-CD1 3.86Å; H424-L428 HydrophobicContact CB-CG 4.19Å; H424-L428 VanDerWaalsContact O-CB 3.32Å; H424-L428 WeakPolarHBondContact O-CB 3.34Å; H424-L428 VanDerWaalsContact O-CG 3.31Å; H424-L428 WeakPolarHBondContact O-CG 3.38Å; H424-L428 PolarHBondContact O-N 3.41Å |
| 425 | F | 87 | Confident | 89.3 | Confident | 23 Ų | 23 | 25.5 Ų | 25.5 | 10% | 0.101 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.1 | -53 | -174.9 | 175.9 | -97.5 | 0 | 0 | 0 | 111.9 | I147 V416 S422 K427 L428 Y429 | I147-F425 HydrophobicContact CG2-CE1 3.9Å; I147-F425 HydrophobicContact CG2-CZ 3.69Å; V416-F425 HydrophobicContact CB-CE2 4.41Å; V416-F425 HydrophobicContact CG1-CD2 4.08Å; V416-F425 HydrophobicContact CG1-CE2 4.14Å; S422-F425 VanDerWaalsContact O-CB 3.32Å; S422-F425 WeakPolarHBondContact O-CB 3.42Å; S422-F425 PolarHBondContact O-N 3.4Å; F425-K427 PolarHBondContact O-N 3.29Å; F425-L428 PolarHBondContact O-N 3.31Å; F425-Y429 HydrophobicContact CZ-CD2 4.41Å; F425-Y429 HydrophobicContact CZ-CG 4.34Å; F425-Y429 WeakPolarHBondContact O-CB 3.2Å; F425-Y429 PolarHBondContact O-N 2.85Å |
| 426 | G | 85.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G91 D95 H424 G430 | G91-G426 VanDerWaalsContact CA-O 3.25Å; G91-G426 WeakPolarHBondContact CA-O 3.28Å; D95-G426 VanDerWaalsContact OD1-CA 3.29Å; D95-G426 WeakPolarHBondContact OD1-CA 3.49Å; D95-G426 PolarHBondContact OD1-N 3.36Å; D95-G426 VanDerWaalsContact OD1-N 3.11Å; D95-G426 PolarHBondContact OD2-N 3.41Å; H424-G426 PolarHBondContact O-N 3Å; G426-G430 WeakPolarHBondContact O-CA 3.5Å; G426-G430 PolarHBondContact O-N 2.92Å |
| 427 | K | 89.6 | Confident | 89.2 | Confident | 57 Ų | 57 | 25.3 Ų | 25.3 | 25% | 0.248 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 175.8 | -71.5 | 170.1 | -165.4 | -173.2 | 0 | 113.3 | D95 F276 H424 F425 L431 | D95-K427 HydrophobicContact CB-CG 4.5Å; D95-K427 VanDerWaalsContact OD2-CG 3.29Å; D95-K427 WeakPolarHBondContact OD2-CG 3.36Å; D95-K427 PolarHBondContact OD2-N 2.88Å; F276-K427 HydrophobicContact CD2-CB 4.24Å; F276-K427 HydrophobicContact CE2-CB 3.63Å; F276-K427 HydrophobicContact CZ-CB 4.23Å; H424-K427 PolarHBondContact O-N 2.79Å; F425-K427 PolarHBondContact O-N 3.29Å; K427-L431 WeakPolarHBondContact O-CB 3.4Å; K427-L431 PolarHBondContact O-N 3.13Å |
| 428 | L | 91 | Very high | 89.3 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.5 | -44.4 | -178.2 | -72.8 | 169.6 | 0 | 0 | 0 | 112 | F276 C279 V280 F285 V416 F420 H424 F425 G430 L431 V432 | F276-L428 HydrophobicContact CD2-CD2 4.04Å; F276-L428 HydrophobicContact CD2-CG 4.19Å; F276-L428 HydrophobicContact CE2-CD2 3.72Å; F276-L428 HydrophobicContact CE2-CG 3.97Å; C279-L428 HydrophobicContact CB-CD1 4.03Å; C279-L428 HydrophobicContact CB-CD2 3.98Å; V280-L428 HydrophobicContact CG2-CD2 3.75Å; F285-L428 HydrophobicContact CD2-CD2 4.31Å; F285-L428 HydrophobicContact CE2-CD2 4.25Å; V416-L428 HydrophobicContact CG1-CB 4.14Å; F420-L428 HydrophobicContact CB-CD1 3.43Å; F420-L428 VanDerWaalsContact CB-CD1 3.43Å; F420-L428 HydrophobicContact CD1-CD1 3.95Å; F420-L428 HydrophobicContact CD2-CD1 4.29Å; F420-L428 HydrophobicContact CG-CD1 3.64Å; H424-L428 HydrophobicContact CB-CD1 3.86Å; H424-L428 HydrophobicContact CB-CG 4.19Å; H424-L428 VanDerWaalsContact O-CB 3.32Å; H424-L428 WeakPolarHBondContact O-CB 3.34Å; H424-L428 VanDerWaalsContact O-CG 3.31Å; H424-L428 WeakPolarHBondContact O-CG 3.38Å; H424-L428 PolarHBondContact O-N 3.41Å; F425-L428 PolarHBondContact O-N 3.31Å; L428-G430 VanDerWaalsContact C-N 3.32Å; L428-L431 PolarHBondContact O-N 3.42Å; L428-V432 WeakPolarHBondContact O-CG1 3.19Å; L428-V432 PolarHBondContact O-N 3.08Å |
| 429 | Y | 91.5 | Very high | 89.4 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 174 | 177.7 | -97.4 | 0 | 0 | 0 | 111 | A413 F425 V432 T433 | A413-Y429 HydrophobicContact CB-CD2 4.39Å; A413-Y429 HydrophobicContact CB-CE2 3.84Å; F425-Y429 HydrophobicContact CZ-CD2 4.41Å; F425-Y429 HydrophobicContact CZ-CG 4.34Å; F425-Y429 WeakPolarHBondContact O-CB 3.2Å; F425-Y429 PolarHBondContact O-N 2.85Å; Y429-V432 WeakPolarHBondContact O-CG1 3.4Å; Y429-T433 VanDerWaalsContact O-CB 3.28Å; Y429-T433 WeakPolarHBondContact O-CB 3.38Å; Y429-T433 PolarHBondContact O-N 2.8Å; Y429-T433 PolarHBondContact O-OG1 2.05Å |
| 430 | G | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -49.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | S87 G426 L428 V432 T433 S434 | S87-G430 VanDerWaalsContact C-CA 3.48Å; S87-G430 WeakPolarHBondContact O-CA 3.31Å; G426-G430 WeakPolarHBondContact O-CA 3.5Å; G426-G430 PolarHBondContact O-N 2.92Å; L428-G430 VanDerWaalsContact C-N 3.32Å; G430-V432 PolarHBondContact O-N 3.05Å; G430-T433 PolarHBondContact O-N 3.24Å; G430-S434 WeakPolarHBondContact O-CB 3.48Å; G430-S434 PolarHBondContact O-N 3.02Å; G430-S434 PolarHBondContact O-OG 3.15Å |
| 431 | L | 94.1 | Very high | 89.1 | Confident | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.131 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | -178.5 | -174.4 | 65.6 | 0 | 0 | 0 | 112.7 | L88 F276 V280 F285 K427 L428 T433 S434 L435 | L88-L431 HydrophobicContact CD1-CB 3.96Å; L88-L431 HydrophobicContact CD1-CD1 4.11Å; L88-L431 HydrophobicContact CD2-CD1 3.99Å; F276-L431 HydrophobicContact CZ-CD2 4.1Å; V280-L431 HydrophobicContact CB-CD2 4.31Å; V280-L431 HydrophobicContact CG1-CD2 3.72Å; V280-L431 HydrophobicContact CG2-CD2 3.53Å; F285-L431 HydrophobicContact CE1-CD2 4.32Å; F285-L431 HydrophobicContact CE2-CD2 4.42Å; F285-L431 HydrophobicContact CZ-CB 4.31Å; F285-L431 HydrophobicContact CZ-CD2 3.76Å; F285-L431 HydrophobicContact CZ-CG 3.9Å; K427-L431 WeakPolarHBondContact O-CB 3.4Å; K427-L431 PolarHBondContact O-N 3.13Å; L428-L431 PolarHBondContact O-N 3.42Å; L431-T433 VanDerWaalsContact C-N 3.29Å; L431-T433 PolarHBondContact O-N 2.87Å; L431-S434 PolarHBondContact O-N 3.25Å; L431-L435 HydrophobicContact CD1-CD1 4.04Å; L431-L435 HydrophobicContact CD1-CG 4.1Å; L431-L435 HydrophobicContact CG-CD1 3.93Å; L431-L435 HydrophobicContact CG-CG 4.35Å; L431-L435 WeakPolarHBondContact O-CB 3.25Å; L431-L435 WeakPolarHBondContact O-CG 3.42Å; L431-L435 PolarHBondContact O-N 3.45Å |
| 432 | V | 94.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 179.9 | 73 | 0 | 0 | 0 | 0 | 110.9 | F285 L289 L292 V416 L428 Y429 G430 S436 | F285-V432 HydrophobicContact CE2-CB 3.87Å; F285-V432 HydrophobicContact CE2-CG2 4.38Å; F285-V432 HydrophobicContact CZ-CB 4.06Å; F285-V432 HydrophobicContact CZ-CG2 4.46Å; L289-V432 HydrophobicContact CB-CG2 4.12Å; L289-V432 HydrophobicContact CD1-CG2 3.98Å; L289-V432 WeakPolarHBondContact CD1-O 3.39Å; L292-V432 HydrophobicContact CD2-CG1 4.17Å; L292-V432 HydrophobicContact CD2-CG2 3.96Å; V416-V432 HydrophobicContact CG2-CG1 4.32Å; L428-V432 WeakPolarHBondContact O-CG1 3.19Å; L428-V432 PolarHBondContact O-N 3.08Å; Y429-V432 WeakPolarHBondContact O-CG1 3.4Å; G430-V432 PolarHBondContact O-N 3.05Å; V432-S436 WeakPolarHBondContact O-CB 3.35Å; V432-S436 PolarHBondContact O-N 3.16Å; V432-S436 PolarHBondContact O-OG 3.4Å |
| 433 | T | 93.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.9 | -36.5 | 179.2 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | N84 Y429 G430 L431 S436 A437 | N84-T433 HydrophobicContact CB-CG2 3.8Å; N84-T433 WeakPolarHBondContact OD1-CG2 3.3Å; Y429-T433 VanDerWaalsContact O-CB 3.28Å; Y429-T433 WeakPolarHBondContact O-CB 3.38Å; Y429-T433 PolarHBondContact O-N 2.8Å; Y429-T433 PolarHBondContact O-OG1 2.05Å; G430-T433 PolarHBondContact O-N 3.24Å; L431-T433 VanDerWaalsContact C-N 3.29Å; L431-T433 PolarHBondContact O-N 2.87Å; T433-S436 WeakPolarHBondContact CA-OG 3.41Å; T433-S436 PolarHBondContact O-OG 2.65Å; T433-A437 WeakPolarHBondContact O-CB 3.38Å; T433-A437 PolarHBondContact O-N 3.38Å |
| 434 | S | 94 | Very high | 89.8 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -74.4 | -39.2 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | N84 F85 L88 G430 L431 A437 V438 | N84-S434 VanDerWaalsContact O-CA 3.31Å; N84-S434 WeakPolarHBondContact O-CA 3.4Å; N84-S434 PolarHBondContact O-N 2.87Å; N84-S434 PolarHBondContact O-OG 3.45Å; F85-S434 PolarHBondContact O-OG 2.85Å; L88-S434 VanDerWaalsContact CB-OG 3.27Å; L88-S434 WeakPolarHBondContact CB-OG 3.33Å; L88-S434 PolarHBondContact N-OG 3.38Å; G430-S434 WeakPolarHBondContact O-CB 3.48Å; G430-S434 PolarHBondContact O-N 3.02Å; G430-S434 PolarHBondContact O-OG 3.15Å; L431-S434 PolarHBondContact O-N 3.25Å; S434-A437 VanDerWaalsContact O-CB 3.27Å; S434-A437 WeakPolarHBondContact O-CB 3.49Å; S434-A437 PolarHBondContact O-N 3.03Å; S434-V438 PolarHBondContact O-N 3.4Å |
| 435 | L | 94.5 | Very high | 89.9 | Confident | 68 Ų | 68 | 33.3 Ų | 33.3 | 36% | 0.356 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 174 | -70 | 175.5 | 0 | 0 | 0 | 111.3 | F285 L289 L431 A437 V438 I439 | F285-L435 HydrophobicContact CE1-CD1 4.12Å; F285-L435 HydrophobicContact CZ-CD1 4.31Å; L289-L435 HydrophobicContact CD1-CB 3.52Å; L289-L435 HydrophobicContact CD2-CB 4Å; L289-L435 HydrophobicContact CD2-CD1 3.76Å; L289-L435 HydrophobicContact CG-CB 4.42Å; L431-L435 HydrophobicContact CD1-CD1 4.04Å; L431-L435 HydrophobicContact CD1-CG 4.1Å; L431-L435 HydrophobicContact CG-CD1 3.93Å; L431-L435 HydrophobicContact CG-CG 4.35Å; L431-L435 WeakPolarHBondContact O-CB 3.25Å; L431-L435 WeakPolarHBondContact O-CG 3.42Å; L431-L435 PolarHBondContact O-N 3.45Å; L435-A437 VanDerWaalsContact C-N 3.28Å; L435-A437 PolarHBondContact O-N 3.24Å; L435-V438 PolarHBondContact O-N 2.97Å; L435-I439 PolarHBondContact O-N 3.44Å |
| 436 | S | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -31.1 | 173.5 | 69.2 | 0 | 0 | 0 | 0 | 112.5 | S293 Q296 V432 T433 I439 S440 | S293-S436 WeakPolarHBondContact OG-CA 3.46Å; S293-S436 WeakPolarHBondContact OG-CB 3.43Å; Q296-S436 PolarHBondContact OE1-OG 2.96Å; V432-S436 WeakPolarHBondContact O-CB 3.35Å; V432-S436 PolarHBondContact O-N 3.16Å; V432-S436 PolarHBondContact O-OG 3.4Å; T433-S436 WeakPolarHBondContact CA-OG 3.41Å; T433-S436 PolarHBondContact O-OG 2.65Å; S436-I439 PolarHBondContact O-N 3.1Å; S436-S440 WeakPolarHBondContact O-CB 3.44Å; S436-S440 PolarHBondContact O-N 3.09Å; S436-S440 PolarHBondContact O-OG 3.28Å |
| 437 | A | 90.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F81 N84 F85 T433 S434 L435 I439 S440 L441 | F81-A437 HydrophobicContact CD2-CB 4.12Å; F81-A437 HydrophobicContact CE2-CB 4.24Å; N84-A437 HydrophobicContact CB-CB 3.44Å; N84-A437 VanDerWaalsContact CB-CB 3.44Å; F85-A437 HydrophobicContact CB-CB 4.39Å; T433-A437 WeakPolarHBondContact O-CB 3.38Å; T433-A437 PolarHBondContact O-N 3.38Å; S434-A437 VanDerWaalsContact O-CB 3.27Å; S434-A437 WeakPolarHBondContact O-CB 3.49Å; S434-A437 PolarHBondContact O-N 3.03Å; L435-A437 VanDerWaalsContact C-N 3.28Å; L435-A437 PolarHBondContact O-N 3.24Å; A437-I439 VanDerWaalsContact C-N 3.33Å; A437-I439 PolarHBondContact O-N 3.19Å; A437-S440 CarbonylContact O-C 3.57Å; A437-S440 WeakPolarHBondContact O-CA 3.3Å; A437-S440 WeakPolarHBondContact O-CB 3.4Å; A437-S440 PolarHBondContact O-N 2.73Å; A437-S440 VanDerWaalsContact O-N 3.1Å; A437-L441 PolarHBondContact O-N 2.7Å |
| 438 | V | 92 | Very high | 89.2 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 42% | 0.424 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 178.4 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | F85 S434 L435 S440 L441 | F85-V438 HydrophobicContact CD2-CG2 4.24Å; F85-V438 HydrophobicContact CE2-CG2 4.35Å; S434-V438 PolarHBondContact O-N 3.4Å; L435-V438 PolarHBondContact O-N 2.97Å; V438-S440 VanDerWaalsContact C-N 3.3Å; V438-L441 WeakPolarHBondContact O-CB 3.31Å; V438-L441 PolarHBondContact O-N 3.27Å |
| 439 | I | 90.8 | Very high | 88.9 | Confident | 67 Ų | 67 | 38.2 Ų | 38.2 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.4 | -36.1 | 173.9 | -62.4 | 172.9 | 0 | 0 | 0 | 110.4 | L435 S436 A437 L441 L442 | L435-I439 PolarHBondContact O-N 3.44Å; S436-I439 PolarHBondContact O-N 3.1Å; A437-I439 VanDerWaalsContact C-N 3.33Å; A437-I439 PolarHBondContact O-N 3.19Å; I439-L441 PolarHBondContact O-N 3.38Å; I439-L442 WeakPolarHBondContact O-CB 3.37Å; I439-L442 WeakPolarHBondContact O-CD1 3.38Å; I439-L442 PolarHBondContact O-N 2.95Å; I439-L442 VanDerWaalsContact O-N 3.13Å |
| 440 | S | 87.6 | Confident | 88.4 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.9 | -16.4 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | S436 A437 V438 L442 Q443 | S436-S440 WeakPolarHBondContact O-CB 3.44Å; S436-S440 PolarHBondContact O-N 3.09Å; S436-S440 PolarHBondContact O-OG 3.28Å; A437-S440 CarbonylContact O-C 3.57Å; A437-S440 WeakPolarHBondContact O-CA 3.3Å; A437-S440 WeakPolarHBondContact O-CB 3.4Å; A437-S440 PolarHBondContact O-N 2.73Å; A437-S440 VanDerWaalsContact O-N 3.1Å; V438-S440 VanDerWaalsContact C-N 3.3Å; S440-L442 PolarHBondContact O-N 3.48Å; S440-Q443 WeakPolarHBondContact O-CB 3.41Å; S440-Q443 WeakPolarHBondContact O-CG 3.05Å; S440-Q443 PolarHBondContact O-N 2.85Å |
| 441 | L | 85.9 | Confident | 87.5 | Confident | 67 Ų | 67 | 39.4 Ų | 39.4 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22 | 171.1 | -74 | 175.5 | 0 | 0 | 0 | 112.8 | F81 A437 V438 I439 Q443 Y444 P445 | F81-L441 HydrophobicContact CB-CD2 4.12Å; F81-L441 HydrophobicContact CD1-CD2 4.44Å; F81-L441 HydrophobicContact CD2-CD1 4Å; F81-L441 HydrophobicContact CD2-CD2 3.38Å; F81-L441 HydrophobicContact CD2-CG 3.56Å; F81-L441 HydrophobicContact CE2-CD1 3.54Å; F81-L441 HydrophobicContact CE2-CD2 3.84Å; F81-L441 HydrophobicContact CE2-CG 3.62Å; F81-L441 HydrophobicContact CG-CD2 3.72Å; F81-L441 HydrophobicContact CG-CG 4.39Å; F81-L441 HydrophobicContact CZ-CD1 4.02Å; F81-L441 HydrophobicContact CZ-CG 4.49Å; A437-L441 PolarHBondContact O-N 2.7Å; V438-L441 WeakPolarHBondContact O-CB 3.31Å; V438-L441 PolarHBondContact O-N 3.27Å; I439-L441 PolarHBondContact O-N 3.38Å; L441-Q443 PolarHBondContact O-N 2.88Å; L441-Y444 PolarHBondContact O-N 3.45Å; L441-P445 WeakPolarHBondContact O-CD 3.44Å |
| 442 | L | 86.7 | Confident | 86.6 | Confident | 94 Ų | 94 | 40 Ų | 40 | 49% | 0.492 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -15.4 | 170.3 | -83.6 | 77.5 | 0 | 0 | 0 | 112.1 | L297 I439 S440 Y444 P445 C446 | L297-L442 HydrophobicContact CD1-CB 4.27Å; L297-L442 HydrophobicContact CD2-CB 4.46Å; I439-L442 WeakPolarHBondContact O-CB 3.37Å; I439-L442 WeakPolarHBondContact O-CD1 3.38Å; I439-L442 PolarHBondContact O-N 2.95Å; I439-L442 VanDerWaalsContact O-N 3.13Å; S440-L442 PolarHBondContact O-N 3.48Å; L442-Y444 VanDerWaalsContact C-N 3.26Å; L442-Y444 PolarHBondContact O-N 2.85Å; L442-P445 VanDerWaalsContact O-CD 3.27Å; L442-P445 WeakPolarHBondContact O-CD 3.47Å; L442-P445 VanDerWaalsContact O-CG 3.31Å; L442-P445 WeakPolarHBondContact O-CG 3.35Å; L442-C446 WeakPolarHBondContact O-CB 3.06Å; L442-C446 PolarHBondContact O-N 3.34Å; L442-C446 VanDerWaalsContact O-N 3.16Å; L442-C446 PolarHBondContact O-SG 3.45Å |
| 443 | Q | 85.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -37.8 | 172 | 75.9 | -178.4 | -23.1 | 0 | 0 | 113.2 | T77 L297 L301 S440 L441 C446 I447 | T77-Q443 HydrophobicContact CG2-CG 4.3Å; L297-Q443 HydrophobicContact CD1-CB 4.05Å; L301-Q443 HydrophobicContact CD2-CB 3.75Å; L301-Q443 WeakPolarHBondContact CD2-O 3.46Å; L301-Q443 HydrophobicContact CG-CB 3.93Å; S440-Q443 WeakPolarHBondContact O-CB 3.41Å; S440-Q443 WeakPolarHBondContact O-CG 3.05Å; S440-Q443 PolarHBondContact O-N 2.85Å; L441-Q443 PolarHBondContact O-N 2.88Å; Q443-C446 PolarHBondContact O-N 2.65Å; Q443-I447 HydrophobicContact CB-CD1 4.49Å; Q443-I447 WeakPolarHBondContact O-CB 3.41Å; Q443-I447 WeakPolarHBondContact O-CD1 3.13Å; Q443-I447 WeakPolarHBondContact O-CG1 3.37Å; Q443-I447 PolarHBondContact O-N 3.45Å |
| 444 | Y | 83.1 | Confident | 85.3 | Confident | 128 Ų | 128 | 46.9 Ų | 46.9 | 50% | 0.502 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.9 | -54.6 | -176.7 | -178.9 | -100.4 | 0 | 0 | 0 | 112.6 | L74 L441 L442 C446 I447 S448 | L74-Y444 HydrophobicContact CD1-CD2 4.24Å; L74-Y444 HydrophobicContact CD1-CE2 3.88Å; L441-Y444 PolarHBondContact O-N 3.45Å; L442-Y444 VanDerWaalsContact C-N 3.26Å; L442-Y444 PolarHBondContact O-N 2.85Å; Y444-C446 PolarHBondContact O-N 3.06Å; Y444-I447 PolarHBondContact O-N 3.34Å; Y444-S448 WeakPolarHBondContact O-CB 3.35Å; Y444-S448 PolarHBondContact O-N 3.36Å |
| 445 | P | 86.2 | Confident | 84.3 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 49% | 0.494 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -33 | 175.3 | 24.3 | -33.3 | 0 | 0 | 0 | 111.9 | L441 L442 S448 L449 | L441-P445 WeakPolarHBondContact O-CD 3.44Å; L442-P445 VanDerWaalsContact O-CD 3.27Å; L442-P445 WeakPolarHBondContact O-CD 3.47Å; L442-P445 VanDerWaalsContact O-CG 3.31Å; L442-P445 WeakPolarHBondContact O-CG 3.35Å; P445-S448 PolarHBondContact O-N 3.31Å; P445-L449 VanDerWaalsContact O-CB 3.28Å; P445-L449 WeakPolarHBondContact O-CB 3.1Å; P445-L449 PolarHBondContact O-N 3.03Å |
| 446 | C | 85.3 | Confident | 83.1 | Confident | 31 Ų | 31 | 50 Ų | 50 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 174 | -74.5 | 0 | 0 | 0 | 0 | 112.7 | L301 L442 Q443 Y444 S448 L449 V450 V461 | L301-C446 HydrophobicContact CD1-CB 3.95Å; L301-C446 HydrophobicContact CD2-CB 3.73Å; L442-C446 WeakPolarHBondContact O-CB 3.06Å; L442-C446 PolarHBondContact O-N 3.34Å; L442-C446 VanDerWaalsContact O-N 3.16Å; L442-C446 PolarHBondContact O-SG 3.45Å; Q443-C446 PolarHBondContact O-N 2.65Å; Y444-C446 PolarHBondContact O-N 3.06Å; C446-S448 VanDerWaalsContact C-N 3.34Å; C446-L449 WeakPolarHBondContact O-CB 3.44Å; C446-L449 PolarHBondContact O-N 3.34Å; C446-V450 WeakPolarHBondContact O-CG2 3.43Å; C446-V450 PolarHBondContact O-N 3.13Å; C446-V461 HydrophobicContact CB-CG1 4.36Å |
| 447 | I | 79.9 | Confident | 82.4 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.7 | -69.5 | 162.8 | 0 | 0 | 0 | 110.2 | L301 T305 Q443 Y444 L449 V450 K451 | L301-I447 HydrophobicContact CD2-CD1 4.2Å; L301-I447 HydrophobicContact CD2-CG1 3.68Å; T305-I447 HydrophobicContact CG2-CG1 3.88Å; Q443-I447 HydrophobicContact CB-CD1 4.49Å; Q443-I447 WeakPolarHBondContact O-CB 3.41Å; Q443-I447 WeakPolarHBondContact O-CD1 3.13Å; Q443-I447 WeakPolarHBondContact O-CG1 3.37Å; Q443-I447 PolarHBondContact O-N 3.45Å; Y444-I447 PolarHBondContact O-N 3.34Å; I447-L449 VanDerWaalsContact C-N 3.33Å; I447-L449 PolarHBondContact O-N 3.21Å; I447-V450 PolarHBondContact O-N 3.12Å; I447-K451 HydrophobicContact CG2-CD 4.05Å; I447-K451 HydrophobicContact CG2-CG 4.34Å; I447-K451 WeakPolarHBondContact O-CB 3.13Å; I447-K451 WeakPolarHBondContact O-CG 3.46Å; I447-K451 PolarHBondContact O-N 2.9Å |
| 448 | S | 81.9 | Confident | 81.9 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 43% | 0.434 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | Y444 P445 C446 K451 G452 | Y444-S448 WeakPolarHBondContact O-CB 3.35Å; Y444-S448 PolarHBondContact O-N 3.36Å; P445-S448 PolarHBondContact O-N 3.31Å; C446-S448 VanDerWaalsContact C-N 3.34Å; S448-K451 PolarHBondContact O-N 2.83Å; S448-G452 WeakPolarHBondContact O-CA 3.44Å; S448-G452 PolarHBondContact O-N 3.35Å |
| 449 | L | 84.6 | Confident | 81.6 | Confident | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 174.5 | -171.3 | 76 | 0 | 0 | 0 | 111.9 | P445 C446 I447 P453 L454 V461 | P445-L449 VanDerWaalsContact O-CB 3.28Å; P445-L449 WeakPolarHBondContact O-CB 3.1Å; P445-L449 PolarHBondContact O-N 3.03Å; C446-L449 WeakPolarHBondContact O-CB 3.44Å; C446-L449 PolarHBondContact O-N 3.34Å; I447-L449 VanDerWaalsContact C-N 3.33Å; I447-L449 PolarHBondContact O-N 3.21Å; L449-P453 HydrophobicContact CD1-CG 3.54Å; L449-P453 HydrophobicContact CG-CG 4.23Å; L449-P453 VanDerWaalsContact O-CD 3.22Å; L449-P453 WeakPolarHBondContact O-CD 3.5Å; L449-P453 WeakPolarHBondContact O-CG 3.34Å; L449-L454 HydrophobicContact CD2-CD1 4.3Å; L449-L454 HydrophobicContact CG-CD1 4.07Å; L449-L454 HydrophobicContact CG-CG 4.48Å; L449-L454 WeakPolarHBondContact O-CB 3.48Å; L449-L454 WeakPolarHBondContact O-CG 3.37Å; L449-L454 PolarHBondContact O-N 2.93Å; L449-V461 HydrophobicContact CD2-CG2 4.04Å |
| 450 | V | 80.3 | Confident | 81.4 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | C446 I447 L454 G456 P458 V461 | C446-V450 WeakPolarHBondContact O-CG2 3.43Å; C446-V450 PolarHBondContact O-N 3.13Å; I447-V450 PolarHBondContact O-N 3.12Å; V450-L454 CarbonylContact O-C 3.58Å; V450-G456 WeakPolarHBondContact O-CA 3.41Å; V450-G456 PolarHBondContact O-N 3.36Å; V450-P458 HydrophobicContact CG1-CB 4.08Å; V450-P458 HydrophobicContact CG2-CB 4.18Å; V450-V461 HydrophobicContact CG2-CB 4.06Å; V450-V461 HydrophobicContact CG2-CG1 4.49Å; V450-V461 HydrophobicContact CG2-CG2 3.67Å |
| 451 | K | 72.5 | Confident | 81.5 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.4 | -25.4 | -176.7 | -70.1 | -172.8 | -177.2 | -176.5 | 0 | 113.5 | R66 D69 E70 S73 I447 S448 | R66-K451 PolarHBondContact NH2-O 3.39Å; D69-K451 PolarHBondContact O-NZ 3.33Å; E70-K451 HydrophobicContact CG-CD 4.48Å; S73-K451 PolarHBondContact OG-NZ 3.3Å; I447-K451 HydrophobicContact CG2-CD 4.05Å; I447-K451 HydrophobicContact CG2-CG 4.34Å; I447-K451 WeakPolarHBondContact O-CB 3.13Å; I447-K451 WeakPolarHBondContact O-CG 3.46Å; I447-K451 PolarHBondContact O-N 2.9Å; S448-K451 PolarHBondContact O-N 2.83Å |
| 452 | G | 77.1 | Confident | 81.6 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -99.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S448 L454 D455 | S448-G452 WeakPolarHBondContact O-CA 3.44Å; S448-G452 PolarHBondContact O-N 3.35Å; G452-L454 PolarHBondContact O-N 3.13Å; G452-L454 VanDerWaalsContact O-N 3.15Å; G452-D455 PolarHBondContact O-N 3.25Å |
| 453 | P | 79.8 | Confident | 81.8 | Confident | 107 Ų | 107 | 53.2 Ų | 53.2 | 70% | 0.695 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20 | -171.1 | 24.8 | -34.6 | 0 | 0 | 0 | 114.9 | L449 | L449-P453 HydrophobicContact CD1-CG 3.54Å; L449-P453 HydrophobicContact CG-CG 4.23Å; L449-P453 VanDerWaalsContact O-CD 3.22Å; L449-P453 WeakPolarHBondContact O-CD 3.5Å; L449-P453 WeakPolarHBondContact O-CG 3.34Å |
| 454 | L | 80.1 | Confident | 82.2 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 6.3 | 177.3 | -61.2 | 175.2 | 0 | 0 | 0 | 113.3 | L449 V450 G452 G456 D457 Y460 V461 | L449-L454 HydrophobicContact CD2-CD1 4.3Å; L449-L454 HydrophobicContact CG-CD1 4.07Å; L449-L454 HydrophobicContact CG-CG 4.48Å; L449-L454 WeakPolarHBondContact O-CB 3.48Å; L449-L454 WeakPolarHBondContact O-CG 3.37Å; L449-L454 PolarHBondContact O-N 2.93Å; V450-L454 CarbonylContact O-C 3.58Å; G452-L454 PolarHBondContact O-N 3.13Å; G452-L454 VanDerWaalsContact O-N 3.15Å; L454-G456 PolarHBondContact O-N 3.21Å; L454-G456 VanDerWaalsContact O-N 3.13Å; L454-D457 WeakPolarHBondContact CB-O 3.41Å; L454-D457 VanDerWaalsContact O-CB 3.27Å; L454-D457 WeakPolarHBondContact O-CB 3.3Å; L454-D457 PolarHBondContact O-N 3.03Å; L454-Y460 HydrophobicContact CD2-CD2 3.92Å; L454-V461 HydrophobicContact CD1-CG2 4Å |
| 455 | D | 73.1 | Confident | 82.5 | Confident | 121 Ų | 121 | 52 Ų | 52 | 65% | 0.647 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 40.7 | 177 | -156.1 | 34.3 | 0 | 0 | 0 | 114.4 | R66 G452 | R66-D455 IonicContact NH1-OD1 2.71Å; R66-D455 IonicContact NH2-OD1 3.75Å; G452-D455 PolarHBondContact O-N 3.25Å |
| 456 | G | 68.9 | Low | 82.8 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 17% | 0.165 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 8.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R312 V450 L454 P458 | R312-G456 PolarHBondContact NE-O 3.33Å; V450-G456 WeakPolarHBondContact O-CA 3.41Å; V450-G456 PolarHBondContact O-N 3.36Å; L454-G456 PolarHBondContact O-N 3.21Å; L454-G456 VanDerWaalsContact O-N 3.13Å; G456-P458 WeakPolarHBondContact O-CD 3.07Å |
| 457 | D | 78.5 | Confident | 83.2 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | trans | -90.3 | 103.4 | 176.4 | -163.9 | 12.4 | 0 | 0 | 0 | 114.6 | R312 L454 F459 | R312-D457 IonicContact CZ-OD1 2.83Å; R312-D457 VanDerWaalsContact CZ-OD1 3.24Å; R312-D457 IonicContact NH1-OD1 3.52Å; R312-D457 PolarHBondContact NH1-OD1 3.16Å; R312-D457 IonicContact NH1-OD2 2.92Å; R312-D457 IonicContact NH2-OD1 2.79Å; R312-D457 PolarHBondContact NH2-OD1 3.31Å; L454-D457 WeakPolarHBondContact CB-O 3.41Å; L454-D457 VanDerWaalsContact O-CB 3.27Å; L454-D457 WeakPolarHBondContact O-CB 3.3Å; L454-D457 PolarHBondContact O-N 3.03Å; D457-F459 PolarHBondContact O-N 3.44Å; D457-F459 WeakPolarHBondContact OD1-CB 3.36Å; D457-F459 PolarHBondContact OD1-N 3.27Å; D457-F459 VanDerWaalsContact OD1-N 3.15Å | ||
| 458 | P | 80.5 | Confident | 83.8 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.032 | 31% | 0.31 | C | S | . | . | trans | -72 | -3 | 174.3 | 30.1 | -38.8 | 0 | 0 | 0 | 114.6 | V450 G456 Y460 V461 D462 | V450-P458 HydrophobicContact CG1-CB 4.08Å; V450-P458 HydrophobicContact CG2-CB 4.18Å; G456-P458 WeakPolarHBondContact O-CD 3.07Å; P458-Y460 PolarHBondContact O-N 3.47Å; P458-V461 PolarHBondContact O-N 3.29Å; P458-V461 VanDerWaalsContact O-N 3.09Å; P458-D462 WeakPolarHBondContact O-CB 3.36Å; P458-D462 PolarHBondContact O-N 3.39Å | ||
| 459 | F | 84.9 | Confident | 84.2 | Confident | 81 Ų | 81 | 53.1 Ų | 53.1 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -50.5 | -52.3 | -169.7 | -178.1 | -106.7 | 0 | 0 | 0 | 114.5 | T387 D457 V461 D462 I463 | T387-F459 HydrophobicContact CG2-CD2 4.13Å; T387-F459 HydrophobicContact CG2-CE2 4.1Å; D457-F459 PolarHBondContact O-N 3.44Å; D457-F459 WeakPolarHBondContact OD1-CB 3.36Å; D457-F459 PolarHBondContact OD1-N 3.27Å; D457-F459 VanDerWaalsContact OD1-N 3.15Å; F459-V461 PolarHBondContact O-N 3.34Å; F459-D462 PolarHBondContact O-N 3.05Å; F459-I463 HydrophobicContact CD1-CD1 3.96Å; F459-I463 HydrophobicContact CD2-CD1 4.47Å; F459-I463 HydrophobicContact CE1-CD1 3.39Å; F459-I463 HydrophobicContact CE2-CD1 3.98Å; F459-I463 HydrophobicContact CG-CD1 4.47Å; F459-I463 HydrophobicContact CZ-CD1 3.42Å; F459-I463 VanDerWaalsContact CZ-CD1 3.42Å; F459-I463 HydrophobicContact CZ-CG1 4.4Å; F459-I463 WeakPolarHBondContact O-CG1 3.36Å; F459-I463 PolarHBondContact O-N 3.09Å |
| 460 | Y | 87.2 | Confident | 84.7 | Confident | 151 Ų | 151 | 52.9 Ų | 52.9 | 59% | 0.592 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.6 | -36.8 | -179.5 | -68.1 | -76.2 | 0 | 0 | 0 | 113.1 | L454 P458 T464 | L454-Y460 HydrophobicContact CD2-CD2 3.92Å; P458-Y460 PolarHBondContact O-N 3.47Å; Y460-T464 PolarHBondContact O-N 3.19Å; Y460-T464 VanDerWaalsContact O-N 3.11Å; Y460-T464 PolarHBondContact O-OG1 3.32Å |
| 461 | V | 88.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 176.3 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | C446 L449 V450 L454 P458 F459 T464 L465 | C446-V461 HydrophobicContact CB-CG1 4.36Å; L449-V461 HydrophobicContact CD2-CG2 4.04Å; V450-V461 HydrophobicContact CG2-CB 4.06Å; V450-V461 HydrophobicContact CG2-CG1 4.49Å; V450-V461 HydrophobicContact CG2-CG2 3.67Å; L454-V461 HydrophobicContact CD1-CG2 4Å; P458-V461 PolarHBondContact O-N 3.29Å; P458-V461 VanDerWaalsContact O-N 3.09Å; F459-V461 PolarHBondContact O-N 3.34Å; V461-T464 PolarHBondContact O-N 3.41Å; V461-L465 HydrophobicContact CG1-CD1 4.04Å; V461-L465 HydrophobicContact CG1-CG 4.45Å; V461-L465 VanDerWaalsContact O-CG 3.3Å; V461-L465 WeakPolarHBondContact O-CG 3.3Å; V461-L465 PolarHBondContact O-N 3.14Å |
| 462 | D | 89.2 | Confident | 86.4 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 178.3 | -80.5 | -16.3 | 0 | 0 | 0 | 112.5 | R309 T387 P458 F459 T466 | R309-D462 IonicContact CZ-OD2 3.59Å; R309-D462 IonicContact NH1-OD2 3.89Å; R309-D462 PolarHBondContact NH1-OD2 3.23Å; R309-D462 IonicContact NH2-OD1 3.24Å; R309-D462 PolarHBondContact NH2-OD1 3.31Å; R309-D462 IonicContact NH2-OD2 3.77Å; R309-D462 PolarHBondContact NH2-OD2 3.31Å; T387-D462 HydrophobicContact CG2-CB 4.15Å; P458-D462 WeakPolarHBondContact O-CB 3.36Å; P458-D462 PolarHBondContact O-N 3.39Å; F459-D462 PolarHBondContact O-N 3.05Å; D462-T466 WeakPolarHBondContact O-CB 3.15Å; D462-T466 PolarHBondContact O-N 3.1Å; D462-T466 PolarHBondContact O-OG1 3.16Å |
| 463 | I | 91.7 | Very high | 87.3 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 32% | 0.323 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 172 | -73.4 | 175.4 | 0 | 0 | 0 | 110.3 | T387 F459 L465 T466 L467 | T387-I463 HydrophobicContact CG2-CG1 3.72Å; F459-I463 HydrophobicContact CD1-CD1 3.96Å; F459-I463 HydrophobicContact CD2-CD1 4.47Å; F459-I463 HydrophobicContact CE1-CD1 3.39Å; F459-I463 HydrophobicContact CE2-CD1 3.98Å; F459-I463 HydrophobicContact CG-CD1 4.47Å; F459-I463 HydrophobicContact CZ-CD1 3.42Å; F459-I463 VanDerWaalsContact CZ-CD1 3.42Å; F459-I463 HydrophobicContact CZ-CG1 4.4Å; F459-I463 WeakPolarHBondContact O-CG1 3.36Å; F459-I463 PolarHBondContact O-N 3.09Å; I463-L465 VanDerWaalsContact C-N 3.31Å; I463-L465 PolarHBondContact O-N 3.18Å; I463-T466 WeakPolarHBondContact O-CB 3.02Å; I463-T466 PolarHBondContact O-N 3.31Å; I463-T466 VanDerWaalsContact O-N 3.14Å; I463-L467 HydrophobicContact CG2-CD1 4.21Å; I463-L467 WeakPolarHBondContact O-CG 3.38Å; I463-L467 PolarHBondContact O-N 3.38Å |
| 464 | T | 91.9 | Very high | 88 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 56% | 0.564 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.5 | -44.2 | -179.4 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | Y460 V461 L467 L468 | Y460-T464 PolarHBondContact O-N 3.19Å; Y460-T464 VanDerWaalsContact O-N 3.11Å; Y460-T464 PolarHBondContact O-OG1 3.32Å; V461-T464 PolarHBondContact O-N 3.41Å; T464-L467 PolarHBondContact O-N 3.32Å; T464-L468 WeakPolarHBondContact O-CB 3.48Å; T464-L468 PolarHBondContact O-N 2.97Å |
| 465 | L | 90.3 | Very high | 88.7 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 176.6 | -67.6 | 171.5 | 0 | 0 | 0 | 112.8 | L297 L301 V461 I463 L468 S469 | L297-L465 HydrophobicContact CD2-CD2 4.25Å; L297-L465 HydrophobicContact CG-CD2 4.46Å; L301-L465 HydrophobicContact CB-CD1 4.38Å; L301-L465 HydrophobicContact CD1-CD1 3.57Å; L301-L465 HydrophobicContact CD1-CD2 4.18Å; L301-L465 HydrophobicContact CD1-CG 4.44Å; V461-L465 HydrophobicContact CG1-CD1 4.04Å; V461-L465 HydrophobicContact CG1-CG 4.45Å; V461-L465 VanDerWaalsContact O-CG 3.3Å; V461-L465 WeakPolarHBondContact O-CG 3.3Å; V461-L465 PolarHBondContact O-N 3.14Å; I463-L465 VanDerWaalsContact C-N 3.31Å; I463-L465 PolarHBondContact O-N 3.18Å; L465-L468 HydrophobicContact CD2-CD2 4.46Å; L465-L468 PolarHBondContact O-N 2.96Å; L465-S469 PolarHBondContact O-N 3.38Å |
| 466 | T | 92.4 | Very high | 89.7 | Confident | 23 Ų | 23 | 45.9 Ų | 45.9 | 14% | 0.141 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 174.5 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | L380 S383 I384 T387 D462 I463 S469 | L380-T466 HydrophobicContact CD1-CG2 4.43Å; S383-T466 WeakPolarHBondContact CB-OG1 3.47Å; I384-T466 HydrophobicContact CG1-CG2 3.97Å; T387-T466 PolarHBondContact OG1-OG1 2.92Å; D462-T466 WeakPolarHBondContact O-CB 3.15Å; D462-T466 PolarHBondContact O-N 3.1Å; D462-T466 PolarHBondContact O-OG1 3.16Å; I463-T466 WeakPolarHBondContact O-CB 3.02Å; I463-T466 PolarHBondContact O-N 3.31Å; I463-T466 VanDerWaalsContact O-N 3.14Å; T466-S469 WeakPolarHBondContact O-CB 3.5Å; T466-S469 PolarHBondContact O-N 3.2Å; T466-S469 PolarHBondContact O-OG 3.08Å |
| 467 | L | 93.3 | Very high | 91 | Very high | 119 Ų | 119 | 48.7 Ų | 48.7 | 62% | 0.623 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 174 | -67.8 | 174.3 | 0 | 0 | 0 | 111.6 | I463 T464 S469 V470 | I463-L467 HydrophobicContact CG2-CD1 4.21Å; I463-L467 WeakPolarHBondContact O-CG 3.38Å; I463-L467 PolarHBondContact O-N 3.38Å; T464-L467 PolarHBondContact O-N 3.32Å; L467-S469 PolarHBondContact O-N 3.42Å; L467-V470 WeakPolarHBondContact O-CB 3.35Å; L467-V470 PolarHBondContact O-N 3.38Å; L467-V470 VanDerWaalsContact O-N 3.15Å |
| 468 | L | 92.7 | Very high | 91.7 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.9 | -33.6 | 177.1 | -169.4 | 68.2 | 0 | 0 | 0 | 112.3 | I294 T464 L465 V470 L471 | I294-L468 HydrophobicContact CD1-CD1 4.3Å; I294-L468 HydrophobicContact CD1-CG 4.13Å; I294-L468 HydrophobicContact CG1-CD2 4.18Å; I294-L468 HydrophobicContact CG1-CG 4.11Å; I294-L468 HydrophobicContact CG2-CD2 4.06Å; I294-L468 HydrophobicContact CG2-CG 3.86Å; T464-L468 WeakPolarHBondContact O-CB 3.48Å; T464-L468 PolarHBondContact O-N 2.97Å; L465-L468 HydrophobicContact CD2-CD2 4.46Å; L465-L468 PolarHBondContact O-N 2.96Å; L468-V470 PolarHBondContact O-N 2.85Å; L468-V470 VanDerWaalsContact O-N 3.16Å; L468-L471 HydrophobicContact CD1-CD1 3.78Å; L468-L471 WeakPolarHBondContact O-CB 3.46Å; L468-L471 PolarHBondContact O-N 3.45Å |
| 469 | S | 91.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.6 | -19.8 | 177.8 | 80.3 | 0 | 0 | 0 | 0 | 113.6 | L380 L465 T466 L467 L471 V472 | L380-S469 WeakPolarHBondContact CD1-OG 3.4Å; L465-S469 PolarHBondContact O-N 3.38Å; T466-S469 WeakPolarHBondContact O-CB 3.5Å; T466-S469 PolarHBondContact O-N 3.2Å; T466-S469 PolarHBondContact O-OG 3.08Å; L467-S469 PolarHBondContact O-N 3.42Å; S469-L471 VanDerWaalsContact C-N 3.33Å; S469-L471 PolarHBondContact O-N 2.94Å; S469-V472 WeakPolarHBondContact O-CB 3.43Å; S469-V472 VanDerWaalsContact O-CG2 3.27Å; S469-V472 WeakPolarHBondContact O-CG2 3.39Å; S469-V472 PolarHBondContact O-N 3.41Å |
| 470 | V | 93.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 48.8 Ų | 48.8 | 48% | 0.479 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.4 | -32.7 | 174.4 | -179 | 0 | 0 | 0 | 0 | 111.5 | L380 L467 L468 V472 F473 | L380-V470 HydrophobicContact CD1-CG2 4.38Å; L467-V470 WeakPolarHBondContact O-CB 3.35Å; L467-V470 PolarHBondContact O-N 3.38Å; L467-V470 VanDerWaalsContact O-N 3.15Å; L468-V470 PolarHBondContact O-N 2.85Å; L468-V470 VanDerWaalsContact O-N 3.16Å; V470-V472 PolarHBondContact O-N 3.15Å; V470-F473 WeakPolarHBondContact O-CD2 3.4Å; V470-F473 PolarHBondContact O-N 3.46Å |
| 471 | L | 93.9 | Very high | 92.9 | Very high | 81 Ų | 81 | 45 Ų | 45 | 42% | 0.424 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -64.9 | -22.2 | 178.5 | -61.5 | -176.6 | 0 | 0 | 0 | 112.8 | I294 L468 S469 F473 I474 | I294-L471 HydrophobicContact CD1-CB 4.11Å; L468-L471 HydrophobicContact CD1-CD1 3.78Å; L468-L471 WeakPolarHBondContact O-CB 3.46Å; L468-L471 PolarHBondContact O-N 3.45Å; S469-L471 VanDerWaalsContact C-N 3.33Å; S469-L471 PolarHBondContact O-N 2.94Å; L471-F473 PolarHBondContact O-N 3.31Å; L471-I474 HydrophobicContact CB-CD1 4.37Å; L471-I474 HydrophobicContact CD2-CD1 4.31Å; L471-I474 WeakPolarHBondContact O-CB 3.34Å; L471-I474 WeakPolarHBondContact O-CD1 3.38Å; L471-I474 WeakPolarHBondContact O-CG1 3.44Å; L471-I474 PolarHBondContact O-N 3.28Å; L471-I474 VanDerWaalsContact O-N 3.12Å |
| 472 | V | 94.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61 | -30 | 179.6 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | W291 I294 L295 S376 S469 V470 I474 H475 P476 | W291-V472 HydrophobicContact CG-CG1 3.91Å; W291-V472 VanDerWaalsContact NE1-CG1 3.3Å; I294-V472 HydrophobicContact CB-CG2 3.85Å; I294-V472 HydrophobicContact CD1-CG2 4.2Å; I294-V472 HydrophobicContact CG2-CG2 3.53Å; L295-V472 HydrophobicContact CD1-CB 3.86Å; L295-V472 HydrophobicContact CD1-CG1 3.28Å; L295-V472 HydrophobicContact CD1-CG2 3.27Å; L295-V472 HydrophobicContact CD2-CG1 4.39Å; L295-V472 HydrophobicContact CG-CG1 4.48Å; S376-V472 WeakPolarHBondContact OG-CG1 3.46Å; S469-V472 WeakPolarHBondContact O-CB 3.43Å; S469-V472 VanDerWaalsContact O-CG2 3.27Å; S469-V472 WeakPolarHBondContact O-CG2 3.39Å; S469-V472 PolarHBondContact O-N 3.41Å; V470-V472 PolarHBondContact O-N 3.15Å; V472-I474 PolarHBondContact O-N 3.46Å; V472-I474 VanDerWaalsContact O-N 3.11Å; V472-H475 PolarHBondContact O-N 3.28Å; V472-P476 VanDerWaalsContact O-CD 3.28Å; V472-P476 WeakPolarHBondContact O-CD 3.03Å |
| 473 | F | 96.1 | Very high | 93 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 17% | 0.171 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -65 | -14.1 | 178.7 | -73.6 | -84.7 | 0 | 0 | 0 | 113.9 | F373 L377 L380 V470 L471 H475 P476 V477 | F373-F473 AromaticContact CD2-CD1 3.87Å; F373-F473 HydrophobicContact CD2-CD1 3.87Å; F373-F473 AromaticContact CD2-CE1 3.93Å; F373-F473 HydrophobicContact CD2-CE1 3.93Å; F373-F473 AromaticContact CE2-CD1 3.75Å; F373-F473 HydrophobicContact CE2-CD1 3.75Å; F373-F473 AromaticContact CE2-CE1 3.63Å; F373-F473 HydrophobicContact CE2-CE1 3.63Å; F373-F473 HydrophobicContact CZ-CE1 4.21Å; L377-F473 HydrophobicContact CB-CE1 4.49Å; L377-F473 HydrophobicContact CB-CZ 4.37Å; L377-F473 HydrophobicContact CD1-CZ 4.49Å; L380-F473 HydrophobicContact CB-CE2 4.48Å; L380-F473 HydrophobicContact CD2-CE2 4.17Å; L380-F473 HydrophobicContact CD2-CZ 4.39Å; V470-F473 WeakPolarHBondContact O-CD2 3.4Å; V470-F473 PolarHBondContact O-N 3.46Å; L471-F473 PolarHBondContact O-N 3.31Å; F473-H475 VanDerWaalsContact C-N 3.31Å; F473-H475 PolarHBondContact O-N 2.96Å; F473-P476 VanDerWaalsContact O-CD 3.32Å; F473-P476 WeakPolarHBondContact O-CD 3.36Å; F473-P476 WeakPolarHBondContact O-CG 3.27Å; F473-V477 WeakPolarHBondContact O-CB 3.29Å; F473-V477 VanDerWaalsContact O-CG2 3.23Å; F473-V477 WeakPolarHBondContact O-CG2 3.49Å; F473-V477 PolarHBondContact O-N 3.24Å |
| 474 | I | 95.1 | Very high | 92.9 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 33% | 0.333 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.5 | -61.7 | 167.5 | 0 | 0 | 0 | 111 | W287 L471 V472 V477 Y478 | W287-I474 HydrophobicContact CD2-CG2 3.84Å; W287-I474 HydrophobicContact CE3-CB 4.17Å; W287-I474 HydrophobicContact CE3-CG2 3.48Å; W287-I474 VanDerWaalsContact CE3-CG2 3.48Å; W287-I474 HydrophobicContact CH2-CD1 4.47Å; W287-I474 HydrophobicContact CH2-CG2 3.73Å; W287-I474 HydrophobicContact CZ2-CG2 4.05Å; W287-I474 HydrophobicContact CZ3-CB 4.14Å; W287-I474 HydrophobicContact CZ3-CD1 3.99Å; W287-I474 HydrophobicContact CZ3-CG2 3.43Å; W287-I474 VanDerWaalsContact CZ3-CG2 3.43Å; L471-I474 HydrophobicContact CB-CD1 4.37Å; L471-I474 HydrophobicContact CD2-CD1 4.31Å; L471-I474 WeakPolarHBondContact O-CB 3.34Å; L471-I474 WeakPolarHBondContact O-CD1 3.38Å; L471-I474 WeakPolarHBondContact O-CG1 3.44Å; L471-I474 PolarHBondContact O-N 3.28Å; L471-I474 VanDerWaalsContact O-N 3.12Å; V472-I474 PolarHBondContact O-N 3.46Å; V472-I474 VanDerWaalsContact O-N 3.11Å; I474-V477 PolarHBondContact O-N 3.21Å; I474-Y478 VanDerWaalsContact O-CB 3.3Å; I474-Y478 WeakPolarHBondContact O-CB 3.46Å; I474-Y478 PolarHBondContact O-N 2.94Å |
| 475 | H | 94.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -55 | -178.2 | -177 | -130.8 | 0 | 0 | 0 | 113.7 | W287 H288 W291 L372 F415 V472 F473 V477 Y478 V479 | W287-H475 HydrophobicContact CB-CB 4.22Å; H288-H475 AromaticContact CG-CE1 3.76Å; H288-H475 AromaticContact ND1-CE1 3.13Å; H288-H475 PolarHBondContact ND1-CE1 3.33Å; H288-H475 AromaticContact ND1-ND1 3.66Å; H288-H475 AromaticContact ND1-NE2 3.97Å; W291-H475 HydrophobicContact CB-CB 3.84Å; W291-H475 HydrophobicContact CG-CB 4.11Å; W291-H475 AromaticContact CG-ND1 3.86Å; L372-H475 WeakPolarHBondContact CD1-CE1 3.38Å; F415-H475 AromaticContact CE1-CE1 3.83Å; F415-H475 AromaticContact CE1-NE2 3.86Å; F415-H475 AromaticContact CZ-CE1 3.68Å; F415-H475 AromaticContact CZ-NE2 3.53Å; V472-H475 PolarHBondContact O-N 3.28Å; F473-H475 VanDerWaalsContact C-N 3.31Å; F473-H475 PolarHBondContact O-N 2.96Å; H475-V477 VanDerWaalsContact C-N 3.28Å; H475-V477 PolarHBondContact O-N 2.81Å; H475-Y478 WeakPolarHBondContact O-CB 3.36Å; H475-Y478 PolarHBondContact O-N 3.14Å; H475-Y478 VanDerWaalsContact O-N 3.14Å; H475-V479 WeakPolarHBondContact O-CG2 3.42Å; H475-V479 PolarHBondContact O-N 3.42Å |
| 476 | P | 94.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -36 | 177.2 | 21 | -31.1 | 0 | 0 | 0 | 112.9 | L372 F373 V472 F473 V479 F480 | L372-P476 HydrophobicContact CB-CB 3.9Å; F373-P476 HydrophobicContact CB-CB 3.99Å; F373-P476 HydrophobicContact CB-CG 4.45Å; V472-P476 VanDerWaalsContact O-CD 3.28Å; V472-P476 WeakPolarHBondContact O-CD 3.03Å; F473-P476 VanDerWaalsContact O-CD 3.32Å; F473-P476 WeakPolarHBondContact O-CD 3.36Å; F473-P476 WeakPolarHBondContact O-CG 3.27Å; P476-V479 PolarHBondContact O-N 2.8Å; P476-F480 WeakPolarHBondContact O-CB 3.23Å; P476-F480 PolarHBondContact O-N 3.17Å |
| 477 | V | 94.8 | Very high | 92.1 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 111 | F473 I474 H475 F480 I481 | F473-V477 WeakPolarHBondContact O-CB 3.29Å; F473-V477 VanDerWaalsContact O-CG2 3.23Å; F473-V477 WeakPolarHBondContact O-CG2 3.49Å; F473-V477 PolarHBondContact O-N 3.24Å; I474-V477 PolarHBondContact O-N 3.21Å; H475-V477 VanDerWaalsContact C-N 3.28Å; H475-V477 PolarHBondContact O-N 2.81Å; V477-F480 PolarHBondContact O-N 3.45Å; V477-I481 HydrophobicContact CG1-CD1 3.77Å; V477-I481 HydrophobicContact CG1-CG1 4.41Å; V477-I481 VanDerWaalsContact O-CG1 3.29Å; V477-I481 WeakPolarHBondContact O-CG1 3.35Å; V477-I481 PolarHBondContact O-N 3.46Å |
| 478 | Y | 94.6 | Very high | 91.7 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 24% | 0.239 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 176.6 | 179.5 | -96.2 | 0 | 0 | 0 | 111.9 | W283 F284 W287 I474 H475 F480 I481 H482 | W283-Y478 HydrophobicContact CB-CE1 4.25Å; W283-Y478 HydrophobicContact CB-CE2 4.43Å; W283-Y478 WeakPolarHBondContact CB-OH 3.41Å; W283-Y478 AromaticContact CD1-CE2 3.73Å; W283-Y478 AromaticContact CD1-CZ 3.96Å; W283-Y478 HydrophobicContact CG-CE2 4.49Å; F284-Y478 HydrophobicContact CD1-CD1 4.43Å; F284-Y478 HydrophobicContact CD1-CE1 4.15Å; F284-Y478 HydrophobicContact CD2-CE1 4.29Å; F284-Y478 HydrophobicContact CE1-CD1 4.41Å; F284-Y478 HydrophobicContact CE1-CE1 4.18Å; F284-Y478 HydrophobicContact CE2-CE1 4.3Å; F284-Y478 HydrophobicContact CG-CE1 4.22Å; F284-Y478 HydrophobicContact CZ-CE1 4.25Å; W287-Y478 AromaticContact CD1-CD1 3.91Å; W287-Y478 AromaticContact CD1-CD2 3.99Å; W287-Y478 AromaticContact CD1-CG 3.79Å; W287-Y478 AromaticContact NE1-CD2 3.99Å; I474-Y478 VanDerWaalsContact O-CB 3.3Å; I474-Y478 WeakPolarHBondContact O-CB 3.46Å; I474-Y478 PolarHBondContact O-N 2.94Å; H475-Y478 WeakPolarHBondContact O-CB 3.36Å; H475-Y478 PolarHBondContact O-N 3.14Å; H475-Y478 VanDerWaalsContact O-N 3.14Å; Y478-F480 VanDerWaalsContact C-N 3.32Å; Y478-F480 PolarHBondContact O-N 3.31Å; Y478-I481 PolarHBondContact O-N 3.09Å; Y478-H482 WeakPolarHBondContact O-CB 3.25Å; Y478-H482 PolarHBondContact O-N 3.33Å |
| 479 | V | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 176.4 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | F284 L365 L372 F415 H475 P476 H482 C483 | F284-V479 HydrophobicContact CD1-CG2 4.31Å; F284-V479 HydrophobicContact CE1-CB 4.49Å; F284-V479 HydrophobicContact CE1-CG1 4.47Å; F284-V479 HydrophobicContact CE1-CG2 3.96Å; L365-V479 HydrophobicContact CD1-CG1 4.13Å; L365-V479 HydrophobicContact CG-CG1 4.05Å; L372-V479 HydrophobicContact CD1-CG2 4.03Å; F415-V479 HydrophobicContact CE2-CG2 4.32Å; F415-V479 HydrophobicContact CZ-CG2 4.47Å; H475-V479 WeakPolarHBondContact O-CG2 3.42Å; H475-V479 PolarHBondContact O-N 3.42Å; P476-V479 PolarHBondContact O-N 2.8Å; V479-H482 PolarHBondContact O-N 3.48Å; V479-C483 PolarHBondContact O-N 3.35Å; V479-C483 PolarHBondContact O-SG 3.29Å; V479-C483 VanDerWaalsContact O-SG 3.36Å |
| 480 | F | 92.8 | Very high | 90.7 | Very high | 77 Ų | 77 | 64 Ų | 64 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 177.2 | 173 | -102.5 | 0 | 0 | 0 | 112.7 | Y369 P476 V477 Y478 H482 C483 R484 | Y369-F480 HydrophobicContact CD1-CD2 4.5Å; Y369-F480 HydrophobicContact CD2-CB 4.42Å; Y369-F480 HydrophobicContact CD2-CD2 4.24Å; Y369-F480 HydrophobicContact CE1-CD2 4.41Å; Y369-F480 HydrophobicContact CE2-CD2 4.16Å; Y369-F480 HydrophobicContact CG-CB 4.29Å; Y369-F480 HydrophobicContact CG-CD2 4.46Å; P476-F480 WeakPolarHBondContact O-CB 3.23Å; P476-F480 PolarHBondContact O-N 3.17Å; V477-F480 PolarHBondContact O-N 3.45Å; Y478-F480 VanDerWaalsContact C-N 3.32Å; Y478-F480 PolarHBondContact O-N 3.31Å; F480-H482 VanDerWaalsContact C-N 3.31Å; F480-H482 PolarHBondContact O-N 2.96Å; F480-C483 PolarHBondContact O-N 2.9Å; F480-R484 HydrophobicContact CE1-CG 4.4Å; F480-R484 HydrophobicContact CE2-CG 4.25Å; F480-R484 HydrophobicContact CZ-CG 4.19Å; F480-R484 WeakPolarHBondContact O-CG 3.45Å; F480-R484 PolarHBondContact O-N 3.11Å |
| 481 | I | 92.5 | Very high | 89.8 | Confident | 72 Ų | 72 | 67.7 Ų | 67.7 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 177.2 | -68.7 | 168 | 0 | 0 | 0 | 110.4 | V477 Y478 R484 R485 | V477-I481 HydrophobicContact CG1-CD1 3.77Å; V477-I481 HydrophobicContact CG1-CG1 4.41Å; V477-I481 VanDerWaalsContact O-CG1 3.29Å; V477-I481 WeakPolarHBondContact O-CG1 3.35Å; V477-I481 PolarHBondContact O-N 3.46Å; Y478-I481 PolarHBondContact O-N 3.09Å; I481-R484 PolarHBondContact O-N 2.92Å; I481-R485 HydrophobicContact CG2-CG 4.35Å; I481-R485 WeakPolarHBondContact O-CB 3.26Å; I481-R485 WeakPolarHBondContact O-CG 3.39Å; I481-R485 PolarHBondContact O-N 3.37Å |
| 482 | H | 91.7 | Very high | 88.8 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -50.6 | 177.3 | -175.8 | 87.5 | 0 | 0 | 0 | 111.8 | F284 Y478 V479 F480 R484 R485 K486 | F284-H482 AromaticContact CE2-CD2 3.94Å; F284-H482 AromaticContact CE2-CE1 3.82Å; F284-H482 AromaticContact CE2-CG 3.9Å; F284-H482 AromaticContact CE2-ND1 3.83Å; F284-H482 AromaticContact CE2-NE2 3.89Å; F284-H482 HydrophobicContact CZ-CB 3.92Å; F284-H482 AromaticContact CZ-CD2 3.48Å; F284-H482 VanDerWaalsContact CZ-CD2 3.48Å; F284-H482 WeakPolarHBondContact CZ-CD2 3.28Å; F284-H482 AromaticContact CZ-CG 3.49Å; F284-H482 VanDerWaalsContact CZ-CG 3.49Å; F284-H482 AromaticContact CZ-ND1 3.91Å; F284-H482 AromaticContact CZ-NE2 3.89Å; Y478-H482 WeakPolarHBondContact O-CB 3.25Å; Y478-H482 PolarHBondContact O-N 3.33Å; V479-H482 PolarHBondContact O-N 3.48Å; F480-H482 VanDerWaalsContact C-N 3.31Å; F480-H482 PolarHBondContact O-N 2.96Å; H482-R484 VanDerWaalsContact C-N 3.29Å; H482-R484 PolarHBondContact O-N 3.4Å; H482-R485 PolarHBondContact O-N 3.39Å; H482-K486 PolarHBondContact O-N 3.2Å |
| 483 | C | 88.5 | Confident | 87.5 | Confident | 21 Ų | 21 | 74.7 Ų | 74.7 | 14% | 0.142 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 177.6 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | V479 F480 K486 A487 | V479-C483 PolarHBondContact O-N 3.35Å; V479-C483 PolarHBondContact O-SG 3.29Å; V479-C483 VanDerWaalsContact O-SG 3.36Å; F480-C483 PolarHBondContact O-N 2.9Å; C483-K486 PolarHBondContact O-N 3.15Å; C483-A487 WeakPolarHBondContact O-CB 3.39Å; C483-A487 PolarHBondContact O-N 3.06Å |
| 484 | R | 88.6 | Confident | 85.3 | Confident | 126 Ų | 126 | 76.3 Ų | 76.3 | 48% | 0.475 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 176.2 | -75.3 | -167.1 | 73.1 | 174.5 | 9.1 | 113.3 | F480 I481 H482 A487 R488 | F480-R484 HydrophobicContact CE1-CG 4.4Å; F480-R484 HydrophobicContact CE2-CG 4.25Å; F480-R484 HydrophobicContact CZ-CG 4.19Å; F480-R484 WeakPolarHBondContact O-CG 3.45Å; F480-R484 PolarHBondContact O-N 3.11Å; I481-R484 PolarHBondContact O-N 2.92Å; H482-R484 VanDerWaalsContact C-N 3.29Å; H482-R484 PolarHBondContact O-N 3.4Å; R484-A487 PolarHBondContact O-N 3.5Å; R484-R488 WeakPolarHBondContact O-CG 3.5Å; R484-R488 PolarHBondContact O-N 2.99Å |
| 485 | R | 88.4 | Confident | 83.3 | Confident | 183 Ų | 183 | 78.5 Ų | 78.5 | 69% | 0.691 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 176.2 | -76.7 | 177.1 | 177 | -177 | -0.4 | 111 | I481 H482 R488 S489 | I481-R485 HydrophobicContact CG2-CG 4.35Å; I481-R485 WeakPolarHBondContact O-CB 3.26Å; I481-R485 WeakPolarHBondContact O-CG 3.39Å; I481-R485 PolarHBondContact O-N 3.37Å; H482-R485 PolarHBondContact O-N 3.39Å; R485-R488 PolarHBondContact O-N 2.86Å; R485-S489 PolarHBondContact O-N 2.84Å |
| 486 | K | 85.6 | Confident | 81.1 | Confident | 80 Ų | 80 | 84.3 Ų | 84.3 | 35% | 0.348 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 177.7 | -162.8 | 170.1 | -175.4 | 178.7 | 0 | 112.1 | D362 H482 C483 S489 R490 | D362-K486 WeakPolarHBondContact OD1-CD 3.44Å; D362-K486 WeakPolarHBondContact OD1-CE 3.29Å; D362-K486 IonicContact OD1-NZ 3.33Å; D362-K486 PolarHBondContact OD1-NZ 2.72Å; D362-K486 WeakPolarHBondContact OD2-CE 3.43Å; D362-K486 IonicContact OD2-NZ 2.68Å; D362-K486 PolarHBondContact OD2-NZ 3.31Å; H482-K486 PolarHBondContact O-N 3.2Å; C483-K486 PolarHBondContact O-N 3.15Å; K486-S489 PolarHBondContact O-N 3.06Å; K486-R490 WeakPolarHBondContact O-CG 3.48Å; K486-R490 PolarHBondContact O-N 3.42Å |
| 487 | A | 84.7 | Confident | 78.7 | Confident | 43 Ų | 43 | 90.7 Ų | 90.7 | 36% | 0.355 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C483 R484 S489 R490 E491 | C483-A487 WeakPolarHBondContact O-CB 3.39Å; C483-A487 PolarHBondContact O-N 3.06Å; R484-A487 PolarHBondContact O-N 3.5Å; A487-S489 VanDerWaalsContact C-N 3.34Å; A487-S489 PolarHBondContact O-N 3.14Å; A487-R490 WeakPolarHBondContact O-CB 3.34Å; A487-R490 PolarHBondContact O-N 3.16Å; A487-R490 VanDerWaalsContact O-N 3.14Å; A487-E491 PolarHBondContact O-N 2.94Å |
| 488 | R | 84.3 | Confident | 76.5 | Confident | 146 Ų | 146 | 93.3 Ų | 93.3 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.9 | -38.6 | 175.7 | -76.3 | 179.6 | 176 | 179.2 | -2.2 | 113.1 | R484 R485 R490 E491 N492 | R484-R488 WeakPolarHBondContact O-CG 3.5Å; R484-R488 PolarHBondContact O-N 2.99Å; R485-R488 PolarHBondContact O-N 2.86Å; R488-R490 PolarHBondContact O-N 2.94Å; R488-E491 PolarHBondContact O-N 3.45Å; R488-N492 PolarHBondContact O-N 3.36Å; R488-N492 PolarHBondContact O-ND2 2.66Å |
| 489 | S | 83 | Confident | 73.9 | Confident | 74 Ų | 74 | 92.7 Ų | 92.7 | 52% | 0.517 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -28.6 | 176.8 | -167.3 | 0 | 0 | 0 | 0 | 112.2 | R485 K486 A487 I493 | R485-S489 PolarHBondContact O-N 2.84Å; K486-S489 PolarHBondContact O-N 3.06Å; A487-S489 VanDerWaalsContact C-N 3.34Å; A487-S489 PolarHBondContact O-N 3.14Å; S489-I493 WeakPolarHBondContact O-CG1 3.37Å |
| 490 | R | 79.2 | Confident | 71.5 | Confident | 55 Ų | 55 | 99.1 Ų | 99.1 | 21% | 0.208 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -75.8 | -41.5 | 175.5 | -68 | 168.1 | 169.3 | 152.8 | 4.6 | 112.5 | G357 E358 D362 K486 A487 R488 N492 I493 | G357-R490 PolarHBondContact O-NE 2.81Å; G357-R490 PolarHBondContact O-NH2 3.24Å; E358-R490 IonicContact OE1-NH1 3.99Å; D362-R490 IonicContact OD2-CZ 2.88Å; D362-R490 IonicContact OD2-NH1 2.61Å; D362-R490 IonicContact OD2-NH2 3.67Å; D362-R490 PolarHBondContact OD2-NH2 3.01Å; K486-R490 WeakPolarHBondContact O-CG 3.48Å; K486-R490 PolarHBondContact O-N 3.42Å; A487-R490 WeakPolarHBondContact O-CB 3.34Å; A487-R490 PolarHBondContact O-N 3.16Å; A487-R490 VanDerWaalsContact O-N 3.14Å; R488-R490 PolarHBondContact O-N 2.94Å; R490-N492 PolarHBondContact O-N 3.4Å; R490-I493 PolarHBondContact O-N 2.81Å |
| 491 | E | 76 | Confident | 69.2 | Low | 157 Ų | 157 | 101.4 Ų | 101.4 | 73% | 0.734 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -27.8 | 176.4 | -71.2 | 173.6 | 171 | 0 | 0 | 112.2 | A487 R488 | A487-E491 PolarHBondContact O-N 2.94Å; R488-E491 PolarHBondContact O-N 3.45Å |
| 492 | N | 72.3 | Confident | 66.7 | Low | 132 Ų | 132 | 106.3 Ų | 106.3 | 71% | 0.706 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -2.6 | 179.4 | -67.8 | -22.9 | 0 | 0 | 0 | 114.5 | R488 R490 P494 | R488-N492 PolarHBondContact O-N 3.36Å; R488-N492 PolarHBondContact O-ND2 2.66Å; R490-N492 PolarHBondContact O-N 3.4Å; N492-P494 WeakPolarHBondContact O-CD 3.49Å |
| 493 | I | 66.6 | Low | 64 | Low | 98 Ų | 98 | 108.1 Ų | 108.1 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -84.6 | 116.2 | 174.6 | -63.4 | 165.2 | 0 | 0 | 0 | 107.9 | S489 R490 | S489-I493 WeakPolarHBondContact O-CG1 3.37Å; R490-I493 PolarHBondContact O-N 2.81Å |
| 494 | P | 50.7 | Low | 61.4 | Low | 72 Ų | 72 | 116.5 Ų | 116.5 | 47% | 0.468 | 63% | 0.629 | S | S | . | * | trans | -65 | 147.8 | -179.5 | 25.1 | -31.7 | 0 | 0 | 0 | 111.5 | N492 T496 D497 | N492-P494 WeakPolarHBondContact O-CD 3.49Å; P494-T496 PolarHBondContact O-N 2.89Å; P494-D497 PolarHBondContact O-N 3.29Å | ||
| 495 | P | 53.4 | Low | 58.9 | Low | 112 Ų | 112 | 115.2 Ų | 115.2 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -64.9 | -2.8 | -174.7 | 23.3 | -32 | 0 | 0 | 0 | 115.2 | ||
| 496 | T | 46.8 | Very low | 56.5 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -82.9 | -9.8 | -179.4 | 38.3 | 0 | 0 | 0 | 0 | 115.1 | P494 | P494-T496 PolarHBondContact O-N 2.89Š|
| 497 | D | 45.5 | Very low | 53.8 | Low | 138 Ų | 138 | 124.2 Ų | 124.2 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -102.3 | 5.4 | 177 | -95.8 | -21.5 | 0 | 0 | 0 | 113.9 | P494 G499 | P494-D497 PolarHBondContact O-N 3.29Å; D497-G499 PolarHBondContact O-N 2.94Å |
| 498 | I | 47.9 | Very low | 52.3 | Low | 130 Ų | 130 | 128.3 Ų | 128.3 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -85.3 | 93.3 | 169.5 | -53.5 | 174.7 | 0 | 0 | 0 | 106.6 | ||
| 499 | G | 40.6 | Very low | 50.6 | Low | 47 Ų | 47 | 127.4 Ų | 127.4 | 49% | 0.485 | 73% | 0.727 | S | S | . | * | trans | -50.6 | 153.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D497 T501 | D497-G499 PolarHBondContact O-N 2.94Å; G499-T501 PolarHBondContact O-N 3.39Å | ||
| 500 | P | 42.4 | Very low | 48.8 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -79 | 78.8 | -168.8 | 34 | -34.5 | 0 | 0 | 0 | 110.9 | ||
| 501 | T | 43.8 | Very low | 47 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -141.4 | 40.4 | 174.9 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | G499 | G499-T501 PolarHBondContact O-N 3.39Š| ||
| 502 | L | 41.2 | Very low | 45.2 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -153.4 | 46 | 168 | -145.2 | 82.5 | 0 | 0 | 0 | 114.3 | ||
| 503 | A | 34.7 | Very low | 43.4 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -119.6 | -11.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 504 | E | 34.4 | Very low | 41.7 | Very low | 197 Ų | 197 | 136 Ų | 136 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -119.4 | 43.4 | -173.2 | -67.8 | -169.6 | 150.7 | 0 | 0 | 114.6 | ||
| 505 | A | 34.8 | Very low | 41.1 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -122.5 | 37.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 506 | K | 37.6 | Very low | 40 | Very low | 202 Ų | 202 | 143.3 Ų | 143.3 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | trans | -137.5 | 82.8 | 163.5 | -79.3 | -169.9 | 178 | -179.2 | 0 | 109.6 | ||||
| 507 | L | 30.5 | Very low | 39.4 | Very low | 251 Ų | 251 | 145.2 Ų | 145.2 | 100% | 1.314 | 84% | 0.836 | S | S | * | * | trans | -152.2 | 0 | 146 | -109.9 | 154.3 | 0 | 0 | 0 | 108.6 |
Retrieved 507 of 507 residues in 260.7 ms
(Link to these results)